----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:17:19]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pcca (54) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.757588699999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.588402990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.952156810000002 Atomic positions (fractional): *1 Rb 0.50000000000000 0.71194414847580 0.25000000000000 85.468 2 Rb 0.00000000000000 0.71194414847580 0.75000000000000 85.468 3 Rb 0.00000000000000 0.28805585152420 0.25000000000000 85.468 4 Rb 0.50000000000000 0.28805585152420 0.75000000000000 85.468 *5 Cd 0.25000000000000 0.00000000000000 0.10282330064294 112.411 6 Cd 0.25000000000000 0.00000000000000 0.60282330064294 112.411 7 Cd 0.75000000000000 0.00000000000000 0.39717669935706 112.411 8 Cd 0.75000000000000 0.00000000000000 0.89717669935706 112.411 *9 Au 0.25000000000000 0.50000000000000 0.85801439399213 196.967 10 Au 0.75000000000000 0.50000000000000 0.14198560600787 196.967 11 Au 0.25000000000000 0.50000000000000 0.35801439399213 196.967 12 Au 0.75000000000000 0.50000000000000 0.64198560600787 196.967 *13 S 0.36415779166626 0.80008760348286 0.85437996882766 32.065 14 S 0.86415779166626 0.80008760348286 0.14562003117234 32.065 15 S 0.13584220833374 0.19991239651715 0.85437996882766 32.065 16 S 0.13584220833374 0.80008760348286 0.35437996882766 32.065 17 S 0.86415779166626 0.19991239651715 0.64562003117234 32.065 18 S 0.63584220833374 0.19991239651715 0.14562003117234 32.065 19 S 0.63584220833374 0.80008760348286 0.64562003117234 32.065 20 S 0.36415779166626 0.19991239651715 0.35437996882766 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.757588699999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.588402990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.952156810000002 Atomic positions (fractional): *1 Rb 0.50000000000000 0.71194414847580 0.25000000000000 85.468 > 1 2 Rb 0.00000000000000 0.71194414847580 0.75000000000000 85.468 > 2 3 Rb 0.00000000000000 0.28805585152420 0.25000000000000 85.468 > 3 4 Rb 0.50000000000000 0.28805585152420 0.75000000000000 85.468 > 4 *5 Cd 0.25000000000000 0.00000000000000 0.10282330064294 112.411 > 5 6 Cd 0.25000000000000 0.00000000000000 0.60282330064294 112.411 > 6 7 Cd 0.75000000000000 0.00000000000000 0.39717669935706 112.411 > 7 8 Cd 0.75000000000000 0.00000000000000 0.89717669935706 112.411 > 8 *9 Au 0.25000000000000 0.50000000000000 0.85801439399213 196.967 > 9 10 Au 0.75000000000000 0.50000000000000 0.14198560600787 196.967 > 10 11 Au 0.25000000000000 0.50000000000000 0.35801439399213 196.967 > 11 12 Au 0.75000000000000 0.50000000000000 0.64198560600787 196.967 > 12 *13 S 0.36415779166626 0.80008760348286 0.85437996882766 32.065 > 13 14 S 0.86415779166626 0.80008760348286 0.14562003117234 32.065 > 14 15 S 0.13584220833374 0.19991239651715 0.85437996882766 32.065 > 15 16 S 0.13584220833374 0.80008760348286 0.35437996882766 32.065 > 16 17 S 0.86415779166626 0.19991239651715 0.64562003117234 32.065 > 17 18 S 0.63584220833374 0.19991239651715 0.14562003117234 32.065 > 18 19 S 0.63584220833374 0.80008760348286 0.64562003117234 32.065 > 19 20 S 0.36415779166626 0.19991239651715 0.35437996882766 32.065 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.757588699999999 0.000000000000000 0.000000000000000 b 0.000000000000000 16.765208970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.904313620000003 Atomic positions (fractional): *1 Rb 0.50000000000000 0.23731471615860 0.12500000000000 85.468 > 1 2 Rb 0.50000000000000 0.57064804949193 0.12500000000000 85.468 > 1 3 Rb 0.50000000000000 0.90398138282527 0.12500000000000 85.468 > 1 4 Rb 0.50000000000000 0.23731471615860 0.62500000000000 85.468 > 1 5 Rb 0.50000000000000 0.57064804949193 0.62500000000000 85.468 > 1 6 Rb 0.50000000000000 0.90398138282527 0.62500000000000 85.468 > 1 7 Rb 0.00000000000000 0.23731471615860 0.37500000000000 85.468 > 2 8 Rb 0.00000000000000 0.57064804949193 0.37500000000000 85.468 > 2 9 Rb 0.00000000000000 0.90398138282527 0.37500000000000 85.468 > 2 10 Rb 0.00000000000000 0.23731471615860 0.87500000000000 85.468 > 2 11 Rb 0.00000000000000 0.57064804949193 0.87500000000000 85.468 > 2 12 Rb 0.00000000000000 0.90398138282527 0.87500000000000 85.468 > 2 13 Rb 0.00000000000000 0.09601861717473 0.12500000000000 85.468 > 3 14 Rb 0.00000000000000 0.42935195050807 0.12500000000000 85.468 > 3 15 Rb 0.00000000000000 0.76268528384140 0.12500000000000 85.468 > 3 16 Rb 0.00000000000000 0.09601861717473 0.62500000000000 85.468 > 3 17 Rb 0.00000000000000 0.42935195050807 0.62500000000000 85.468 > 3 18 Rb 0.00000000000000 0.76268528384140 0.62500000000000 85.468 > 3 19 Rb 0.50000000000000 0.09601861717473 0.37500000000000 85.468 > 4 20 Rb 0.50000000000000 0.42935195050807 0.37500000000000 85.468 > 4 21 Rb 0.50000000000000 0.76268528384140 0.37500000000000 85.468 > 4 22 Rb 0.50000000000000 0.09601861717473 0.87500000000000 85.468 > 4 23 Rb 0.50000000000000 0.42935195050807 0.87500000000000 85.468 > 4 24 Rb 0.50000000000000 0.76268528384140 0.87500000000000 85.468 > 4 *25 Cd 0.25000000000000 0.00000000000000 0.05141165032147 112.411 > 5 26 Cd 0.25000000000000 0.33333333333333 0.05141165032147 112.411 > 5 27 Cd 0.25000000000000 0.66666666666667 0.05141165032147 112.411 > 5 28 Cd 0.25000000000000 0.00000000000000 0.55141165032147 112.411 > 5 29 Cd 0.25000000000000 0.33333333333333 0.55141165032147 112.411 > 5 30 Cd 0.25000000000000 0.66666666666667 0.55141165032147 112.411 > 5 31 Cd 0.25000000000000 0.00000000000000 0.30141165032147 112.411 > 6 32 Cd 0.25000000000000 0.33333333333333 0.30141165032147 112.411 > 6 33 Cd 0.25000000000000 0.66666666666667 0.30141165032147 112.411 > 6 34 Cd 0.25000000000000 0.00000000000000 0.80141165032147 112.411 > 6 35 Cd 0.25000000000000 0.33333333333333 0.80141165032147 112.411 > 6 36 Cd 0.25000000000000 0.66666666666667 0.80141165032147 112.411 > 6 37 Cd 0.75000000000000 0.00000000000000 0.19858834967853 112.411 > 7 38 Cd 0.75000000000000 0.33333333333333 0.19858834967853 112.411 > 7 39 Cd 0.75000000000000 0.66666666666667 0.19858834967853 112.411 > 7 40 Cd 0.75000000000000 0.00000000000000 0.69858834967853 112.411 > 7 41 Cd 0.75000000000000 0.33333333333333 0.69858834967853 112.411 > 7 42 Cd 0.75000000000000 0.66666666666667 0.69858834967853 112.411 > 7 43 Cd 0.75000000000000 0.00000000000000 0.44858834967853 112.411 > 8 44 Cd 0.75000000000000 0.33333333333333 0.44858834967853 112.411 > 8 45 Cd 0.75000000000000 0.66666666666667 0.44858834967853 112.411 > 8 46 Cd 0.75000000000000 0.00000000000000 0.94858834967853 112.411 > 8 47 Cd 0.75000000000000 0.33333333333333 0.94858834967853 112.411 > 8 48 Cd 0.75000000000000 0.66666666666667 0.94858834967853 112.411 > 8 *49 Au 0.25000000000000 0.16666666666667 0.42900719699607 196.967 > 9 50 Au 0.25000000000000 0.50000000000000 0.42900719699607 196.967 > 9 51 Au 0.25000000000000 0.83333333333333 0.42900719699607 196.967 > 9 52 Au 0.25000000000000 0.16666666666667 0.92900719699607 196.967 > 9 53 Au 0.25000000000000 0.50000000000000 0.92900719699607 196.967 > 9 54 Au 0.25000000000000 0.83333333333333 0.92900719699607 196.967 > 9 55 Au 0.75000000000000 0.16666666666667 0.07099280300393 196.967 > 10 56 Au 0.75000000000000 0.50000000000000 0.07099280300393 196.967 > 10 57 Au 0.75000000000000 0.83333333333333 0.07099280300393 196.967 > 10 58 Au 0.75000000000000 0.16666666666667 0.57099280300393 196.967 > 10 59 Au 0.75000000000000 0.50000000000000 0.57099280300393 196.967 > 10 60 Au 0.75000000000000 0.83333333333333 0.57099280300393 196.967 > 10 61 Au 0.25000000000000 0.16666666666667 0.17900719699607 196.967 > 11 62 Au 0.25000000000000 0.50000000000000 0.17900719699607 196.967 > 11 63 Au 0.25000000000000 0.83333333333333 0.17900719699607 196.967 > 11 64 Au 0.25000000000000 0.16666666666667 0.67900719699607 196.967 > 11 65 Au 0.25000000000000 0.50000000000000 0.67900719699607 196.967 > 11 66 Au 0.25000000000000 0.83333333333333 0.67900719699607 196.967 > 11 67 Au 0.75000000000000 0.16666666666667 0.32099280300393 196.967 > 12 68 Au 0.75000000000000 0.50000000000000 0.32099280300393 196.967 > 12 69 Au 0.75000000000000 0.83333333333333 0.32099280300393 196.967 > 12 70 Au 0.75000000000000 0.16666666666667 0.82099280300393 196.967 > 12 71 Au 0.75000000000000 0.50000000000000 0.82099280300393 196.967 > 12 72 Au 0.75000000000000 0.83333333333333 0.82099280300393 196.967 > 12 *73 S 0.36415779166626 0.26669586782762 0.42718998441383 32.065 > 13 74 S 0.36415779166626 0.60002920116095 0.42718998441383 32.065 > 13 75 S 0.36415779166626 0.93336253449429 0.42718998441383 32.065 > 13 76 S 0.36415779166626 0.26669586782762 0.92718998441383 32.065 > 13 77 S 0.36415779166626 0.60002920116095 0.92718998441383 32.065 > 13 78 S 0.36415779166626 0.93336253449429 0.92718998441383 32.065 > 13 79 S 0.86415779166626 0.26669586782762 0.07281001558617 32.065 > 14 80 S 0.86415779166626 0.60002920116095 0.07281001558617 32.065 > 14 81 S 0.86415779166626 0.93336253449429 0.07281001558617 32.065 > 14 82 S 0.86415779166626 0.26669586782762 0.57281001558617 32.065 > 14 83 S 0.86415779166626 0.60002920116095 0.57281001558617 32.065 > 14 84 S 0.86415779166626 0.93336253449429 0.57281001558617 32.065 > 14 85 S 0.13584220833374 0.06663746550572 0.42718998441383 32.065 > 15 86 S 0.13584220833374 0.39997079883905 0.42718998441383 32.065 > 15 87 S 0.13584220833374 0.73330413217238 0.42718998441383 32.065 > 15 88 S 0.13584220833374 0.06663746550572 0.92718998441383 32.065 > 15 89 S 0.13584220833374 0.39997079883905 0.92718998441383 32.065 > 15 90 S 0.13584220833374 0.73330413217238 0.92718998441383 32.065 > 15 91 S 0.13584220833374 0.26669586782762 0.17718998441383 32.065 > 16 92 S 0.13584220833374 0.60002920116095 0.17718998441383 32.065 > 16 93 S 0.13584220833374 0.93336253449429 0.17718998441383 32.065 > 16 94 S 0.13584220833374 0.26669586782762 0.67718998441383 32.065 > 16 95 S 0.13584220833374 0.60002920116095 0.67718998441383 32.065 > 16 96 S 0.13584220833374 0.93336253449429 0.67718998441383 32.065 > 16 97 S 0.86415779166626 0.06663746550572 0.32281001558617 32.065 > 17 98 S 0.86415779166626 0.39997079883905 0.32281001558617 32.065 > 17 99 S 0.86415779166626 0.73330413217238 0.32281001558617 32.065 > 17 100 S 0.86415779166626 0.06663746550572 0.82281001558617 32.065 > 17 101 S 0.86415779166626 0.39997079883905 0.82281001558617 32.065 > 17 102 S 0.86415779166626 0.73330413217238 0.82281001558617 32.065 > 17 103 S 0.63584220833374 0.06663746550572 0.07281001558617 32.065 > 18 104 S 0.63584220833374 0.39997079883905 0.07281001558617 32.065 > 18 105 S 0.63584220833374 0.73330413217238 0.07281001558617 32.065 > 18 106 S 0.63584220833374 0.06663746550572 0.57281001558617 32.065 > 18 107 S 0.63584220833374 0.39997079883905 0.57281001558617 32.065 > 18 108 S 0.63584220833374 0.73330413217238 0.57281001558617 32.065 > 18 109 S 0.63584220833374 0.26669586782762 0.32281001558617 32.065 > 19 110 S 0.63584220833374 0.60002920116095 0.32281001558617 32.065 > 19 111 S 0.63584220833374 0.93336253449429 0.32281001558617 32.065 > 19 112 S 0.63584220833374 0.26669586782762 0.82281001558617 32.065 > 19 113 S 0.63584220833374 0.60002920116095 0.82281001558617 32.065 > 19 114 S 0.63584220833374 0.93336253449429 0.82281001558617 32.065 > 19 115 S 0.36415779166626 0.06663746550572 0.17718998441383 32.065 > 20 116 S 0.36415779166626 0.39997079883905 0.17718998441383 32.065 > 20 117 S 0.36415779166626 0.73330413217238 0.17718998441383 32.065 > 20 118 S 0.36415779166626 0.06663746550572 0.67718998441383 32.065 > 20 119 S 0.36415779166626 0.39997079883905 0.67718998441383 32.065 > 20 120 S 0.36415779166626 0.73330413217238 0.67718998441383 32.065 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4228347 0.0000000 0.0000000 0.0000000 5.5670085 0.0000000 0.0000000 0.0000000 5.4703661 -------------------------- Born effective charges -------------------------- 1 Rb 1.7880673 0.0000000 0.0718866 0.0000000 1.2937453 0.0000000 0.0099033 0.0000000 1.1217778 2 Rb 1.7880673 0.0000000 -0.0718866 0.0000000 1.2937453 0.0000000 -0.0099033 0.0000000 1.1217778 3 Rb 1.7880673 0.0000000 -0.0718866 0.0000000 1.2937453 0.0000000 -0.0099033 0.0000000 1.1217778 4 Rb 1.7880673 0.0000000 0.0718866 0.0000000 1.2937453 0.0000000 0.0099033 0.0000000 1.1217778 5 Cd 1.0755508 -0.0216763 0.0000000 0.0061219 2.1715768 0.0000000 0.0000000 0.0000000 2.7039993 6 Cd 1.0755508 0.0216763 0.0000000 -0.0061219 2.1715768 0.0000000 0.0000000 0.0000000 2.7039993 7 Cd 1.0755508 0.0216763 0.0000000 -0.0061219 2.1715768 0.0000000 0.0000000 0.0000000 2.7039993 8 Cd 1.0755508 -0.0216763 0.0000000 0.0061219 2.1715768 0.0000000 0.0000000 0.0000000 2.7039993 9 Au 0.1141439 0.6491433 0.0000000 1.0418269 0.3237001 0.0000000 0.0000000 0.0000000 -0.1235999 10 Au 0.1141439 0.6491433 0.0000000 1.0418269 0.3237001 0.0000000 0.0000000 0.0000000 -0.1235999 11 Au 0.1141439 -0.6491433 0.0000000 -1.0418269 0.3237001 0.0000000 0.0000000 0.0000000 -0.1235999 12 Au 0.1141439 -0.6491433 0.0000000 -1.0418269 0.3237001 0.0000000 0.0000000 0.0000000 -0.1235999 13 S -1.4888810 -0.0084875 -0.0324146 0.1629735 -1.8945111 0.0155922 -0.0521936 0.0156700 -1.8510886 14 S -1.4888810 -0.0084875 0.0324146 0.1629735 -1.8945111 -0.0155922 0.0521936 -0.0156700 -1.8510886 15 S -1.4888810 -0.0084875 0.0324146 0.1629735 -1.8945111 -0.0155922 0.0521936 -0.0156700 -1.8510886 16 S -1.4888810 0.0084875 0.0324146 -0.1629735 -1.8945111 0.0155922 0.0521936 0.0156700 -1.8510886 17 S -1.4888810 0.0084875 0.0324146 -0.1629735 -1.8945111 0.0155922 0.0521936 0.0156700 -1.8510886 18 S -1.4888810 -0.0084875 -0.0324146 0.1629735 -1.8945111 0.0155922 -0.0521936 0.0156700 -1.8510886 19 S -1.4888810 0.0084875 -0.0324146 -0.1629735 -1.8945111 -0.0155922 -0.0521936 -0.0156700 -1.8510886 20 S -1.4888810 0.0084875 -0.0324146 -0.1629735 -1.8945111 -0.0155922 -0.0521936 -0.0156700 -1.8510886 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1451 Number of blocks in projector: 1451 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: 310 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 290 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 191 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 191 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 191 Use standard eigh solver. Tree of FC basis block matrices: - (1451, 1427), data: False |-- (191, 187), data: True |-- (191, 187), data: True |-- (191, 187), data: True |-- (278, 276), data: True |-- (290, 286), data: True |-- (310, 304), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 2.070 Solver_block: 200 / 320 - Time: 2.095 Solver_block: 300 / 320 - Time: 2.090 Solver_block: 320 / 320 - Time: 0.508 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.798 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1451 Number of blocks in projector: 1451 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: 310 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 290 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 191 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 191 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 191 Use standard eigh solver. Tree of FC basis block matrices: - (1451, 1427), data: False |-- (191, 187), data: True |-- (191, 187), data: True |-- (191, 187), data: True |-- (278, 276), data: True |-- (290, 286), data: True |-- (310, 304), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:17:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:17:41]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pcca (54) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.757588699999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.588402990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.952156810000002 Atomic positions (fractional): 1 Rb 0.50000000000000 0.71194414847580 0.25000000000000 85.468 2 Rb 0.00000000000000 0.71194414847580 0.75000000000000 85.468 3 Rb 0.00000000000000 0.28805585152420 0.25000000000000 85.468 4 Rb 0.50000000000000 0.28805585152420 0.75000000000000 85.468 5 Cd 0.25000000000000 0.00000000000000 0.10282330064294 112.411 6 Cd 0.25000000000000 0.00000000000000 0.60282330064294 112.411 7 Cd 0.75000000000000 0.00000000000000 0.39717669935706 112.411 8 Cd 0.75000000000000 0.00000000000000 0.89717669935706 112.411 9 Au 0.25000000000000 0.50000000000000 0.85801439399213 196.967 10 Au 0.75000000000000 0.50000000000000 0.14198560600787 196.967 11 Au 0.25000000000000 0.50000000000000 0.35801439399213 196.967 12 Au 0.75000000000000 0.50000000000000 0.64198560600787 196.967 13 S 0.36415779166626 0.80008760348286 0.85437996882766 32.065 14 S 0.86415779166626 0.80008760348286 0.14562003117234 32.065 15 S 0.13584220833374 0.19991239651715 0.85437996882766 32.065 16 S 0.13584220833374 0.80008760348286 0.35437996882766 32.065 17 S 0.86415779166626 0.19991239651715 0.64562003117234 32.065 18 S 0.63584220833374 0.19991239651715 0.14562003117234 32.065 19 S 0.63584220833374 0.80008760348286 0.64562003117234 32.065 20 S 0.36415779166626 0.19991239651715 0.35437996882766 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.757588699999999 0.000000000000000 0.000000000000000 b 0.000000000000000 16.765208970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.904313620000003 Atomic positions (fractional): 1 Rb 0.50000000000000 0.23731471615860 0.12500000000000 85.468 > 1 2 Rb 0.50000000000000 0.57064804949193 0.12500000000000 85.468 > 1 3 Rb 0.50000000000000 0.90398138282527 0.12500000000000 85.468 > 1 4 Rb 0.50000000000000 0.23731471615860 0.62500000000000 85.468 > 1 5 Rb 0.50000000000000 0.57064804949193 0.62500000000000 85.468 > 1 6 Rb 0.50000000000000 0.90398138282527 0.62500000000000 85.468 > 1 7 Rb 0.00000000000000 0.23731471615860 0.37500000000000 85.468 > 7 8 Rb 0.00000000000000 0.57064804949193 0.37500000000000 85.468 > 7 9 Rb 0.00000000000000 0.90398138282527 0.37500000000000 85.468 > 7 10 Rb 0.00000000000000 0.23731471615860 0.87500000000000 85.468 > 7 11 Rb 0.00000000000000 0.57064804949193 0.87500000000000 85.468 > 7 12 Rb 0.00000000000000 0.90398138282527 0.87500000000000 85.468 > 7 13 Rb 0.00000000000000 0.09601861717473 0.12500000000000 85.468 > 13 14 Rb 0.00000000000000 0.42935195050807 0.12500000000000 85.468 > 13 15 Rb 0.00000000000000 0.76268528384140 0.12500000000000 85.468 > 13 16 Rb 0.00000000000000 0.09601861717473 0.62500000000000 85.468 > 13 17 Rb 0.00000000000000 0.42935195050807 0.62500000000000 85.468 > 13 18 Rb 0.00000000000000 0.76268528384140 0.62500000000000 85.468 > 13 19 Rb 0.50000000000000 0.09601861717473 0.37500000000000 85.468 > 19 20 Rb 0.50000000000000 0.42935195050807 0.37500000000000 85.468 > 19 21 Rb 0.50000000000000 0.76268528384140 0.37500000000000 85.468 > 19 22 Rb 0.50000000000000 0.09601861717473 0.87500000000000 85.468 > 19 23 Rb 0.50000000000000 0.42935195050807 0.87500000000000 85.468 > 19 24 Rb 0.50000000000000 0.76268528384140 0.87500000000000 85.468 > 19 25 Cd 0.25000000000000 0.00000000000000 0.05141165032147 112.411 > 25 26 Cd 0.25000000000000 0.33333333333333 0.05141165032147 112.411 > 25 27 Cd 0.25000000000000 0.66666666666667 0.05141165032147 112.411 > 25 28 Cd 0.25000000000000 0.00000000000000 0.55141165032147 112.411 > 25 29 Cd 0.25000000000000 0.33333333333333 0.55141165032147 112.411 > 25 30 Cd 0.25000000000000 0.66666666666667 0.55141165032147 112.411 > 25 31 Cd 0.25000000000000 0.00000000000000 0.30141165032147 112.411 > 31 32 Cd 0.25000000000000 0.33333333333333 0.30141165032147 112.411 > 31 33 Cd 0.25000000000000 0.66666666666667 0.30141165032147 112.411 > 31 34 Cd 0.25000000000000 0.00000000000000 0.80141165032147 112.411 > 31 35 Cd 0.25000000000000 0.33333333333333 0.80141165032147 112.411 > 31 36 Cd 0.25000000000000 0.66666666666667 0.80141165032147 112.411 > 31 37 Cd 0.75000000000000 0.00000000000000 0.19858834967853 112.411 > 37 38 Cd 0.75000000000000 0.33333333333333 0.19858834967853 112.411 > 37 39 Cd 0.75000000000000 0.66666666666667 0.19858834967853 112.411 > 37 40 Cd 0.75000000000000 0.00000000000000 0.69858834967853 112.411 > 37 41 Cd 0.75000000000000 0.33333333333333 0.69858834967853 112.411 > 37 42 Cd 0.75000000000000 0.66666666666667 0.69858834967853 112.411 > 37 43 Cd 0.75000000000000 0.00000000000000 0.44858834967853 112.411 > 43 44 Cd 0.75000000000000 0.33333333333333 0.44858834967853 112.411 > 43 45 Cd 0.75000000000000 0.66666666666667 0.44858834967853 112.411 > 43 46 Cd 0.75000000000000 0.00000000000000 0.94858834967853 112.411 > 43 47 Cd 0.75000000000000 0.33333333333333 0.94858834967853 112.411 > 43 48 Cd 0.75000000000000 0.66666666666667 0.94858834967853 112.411 > 43 49 Au 0.25000000000000 0.16666666666667 0.42900719699607 196.967 > 49 50 Au 0.25000000000000 0.50000000000000 0.42900719699607 196.967 > 49 51 Au 0.25000000000000 0.83333333333333 0.42900719699607 196.967 > 49 52 Au 0.25000000000000 0.16666666666667 0.92900719699607 196.967 > 49 53 Au 0.25000000000000 0.50000000000000 0.92900719699607 196.967 > 49 54 Au 0.25000000000000 0.83333333333333 0.92900719699607 196.967 > 49 55 Au 0.75000000000000 0.16666666666667 0.07099280300393 196.967 > 55 56 Au 0.75000000000000 0.50000000000000 0.07099280300393 196.967 > 55 57 Au 0.75000000000000 0.83333333333333 0.07099280300393 196.967 > 55 58 Au 0.75000000000000 0.16666666666667 0.57099280300393 196.967 > 55 59 Au 0.75000000000000 0.50000000000000 0.57099280300393 196.967 > 55 60 Au 0.75000000000000 0.83333333333333 0.57099280300393 196.967 > 55 61 Au 0.25000000000000 0.16666666666667 0.17900719699607 196.967 > 61 62 Au 0.25000000000000 0.50000000000000 0.17900719699607 196.967 > 61 63 Au 0.25000000000000 0.83333333333333 0.17900719699607 196.967 > 61 64 Au 0.25000000000000 0.16666666666667 0.67900719699607 196.967 > 61 65 Au 0.25000000000000 0.50000000000000 0.67900719699607 196.967 > 61 66 Au 0.25000000000000 0.83333333333333 0.67900719699607 196.967 > 61 67 Au 0.75000000000000 0.16666666666667 0.32099280300393 196.967 > 67 68 Au 0.75000000000000 0.50000000000000 0.32099280300393 196.967 > 67 69 Au 0.75000000000000 0.83333333333333 0.32099280300393 196.967 > 67 70 Au 0.75000000000000 0.16666666666667 0.82099280300393 196.967 > 67 71 Au 0.75000000000000 0.50000000000000 0.82099280300393 196.967 > 67 72 Au 0.75000000000000 0.83333333333333 0.82099280300393 196.967 > 67 73 S 0.36415779166626 0.26669586782762 0.42718998441383 32.065 > 73 74 S 0.36415779166626 0.60002920116095 0.42718998441383 32.065 > 73 75 S 0.36415779166626 0.93336253449429 0.42718998441383 32.065 > 73 76 S 0.36415779166626 0.26669586782762 0.92718998441383 32.065 > 73 77 S 0.36415779166626 0.60002920116095 0.92718998441383 32.065 > 73 78 S 0.36415779166626 0.93336253449429 0.92718998441383 32.065 > 73 79 S 0.86415779166626 0.26669586782762 0.07281001558617 32.065 > 79 80 S 0.86415779166626 0.60002920116095 0.07281001558617 32.065 > 79 81 S 0.86415779166626 0.93336253449429 0.07281001558617 32.065 > 79 82 S 0.86415779166626 0.26669586782762 0.57281001558617 32.065 > 79 83 S 0.86415779166626 0.60002920116095 0.57281001558617 32.065 > 79 84 S 0.86415779166626 0.93336253449429 0.57281001558617 32.065 > 79 85 S 0.13584220833374 0.06663746550572 0.42718998441383 32.065 > 85 86 S 0.13584220833374 0.39997079883905 0.42718998441383 32.065 > 85 87 S 0.13584220833374 0.73330413217238 0.42718998441383 32.065 > 85 88 S 0.13584220833374 0.06663746550572 0.92718998441383 32.065 > 85 89 S 0.13584220833374 0.39997079883905 0.92718998441383 32.065 > 85 90 S 0.13584220833374 0.73330413217238 0.92718998441383 32.065 > 85 91 S 0.13584220833374 0.26669586782762 0.17718998441383 32.065 > 91 92 S 0.13584220833374 0.60002920116095 0.17718998441383 32.065 > 91 93 S 0.13584220833374 0.93336253449429 0.17718998441383 32.065 > 91 94 S 0.13584220833374 0.26669586782762 0.67718998441383 32.065 > 91 95 S 0.13584220833374 0.60002920116095 0.67718998441383 32.065 > 91 96 S 0.13584220833374 0.93336253449429 0.67718998441383 32.065 > 91 97 S 0.86415779166626 0.06663746550572 0.32281001558617 32.065 > 97 98 S 0.86415779166626 0.39997079883905 0.32281001558617 32.065 > 97 99 S 0.86415779166626 0.73330413217238 0.32281001558617 32.065 > 97 100 S 0.86415779166626 0.06663746550572 0.82281001558617 32.065 > 97 101 S 0.86415779166626 0.39997079883905 0.82281001558617 32.065 > 97 102 S 0.86415779166626 0.73330413217238 0.82281001558617 32.065 > 97 103 S 0.63584220833374 0.06663746550572 0.07281001558617 32.065 > 103 104 S 0.63584220833374 0.39997079883905 0.07281001558617 32.065 > 103 105 S 0.63584220833374 0.73330413217238 0.07281001558617 32.065 > 103 106 S 0.63584220833374 0.06663746550572 0.57281001558617 32.065 > 103 107 S 0.63584220833374 0.39997079883905 0.57281001558617 32.065 > 103 108 S 0.63584220833374 0.73330413217238 0.57281001558617 32.065 > 103 109 S 0.63584220833374 0.26669586782762 0.32281001558617 32.065 > 109 110 S 0.63584220833374 0.60002920116095 0.32281001558617 32.065 > 109 111 S 0.63584220833374 0.93336253449429 0.32281001558617 32.065 > 109 112 S 0.63584220833374 0.26669586782762 0.82281001558617 32.065 > 109 113 S 0.63584220833374 0.60002920116095 0.82281001558617 32.065 > 109 114 S 0.63584220833374 0.93336253449429 0.82281001558617 32.065 > 109 115 S 0.36415779166626 0.06663746550572 0.17718998441383 32.065 > 115 116 S 0.36415779166626 0.39997079883905 0.17718998441383 32.065 > 115 117 S 0.36415779166626 0.73330413217238 0.17718998441383 32.065 > 115 118 S 0.36415779166626 0.06663746550572 0.67718998441383 32.065 > 115 119 S 0.36415779166626 0.39997079883905 0.67718998441383 32.065 > 115 120 S 0.36415779166626 0.73330413217238 0.67718998441383 32.065 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4228347 0.0000000 0.0000000 0.0000000 5.5670085 0.0000000 0.0000000 0.0000000 5.4703661 -------------------------- Born effective charges -------------------------- 1 Rb 1.7880673 0.0000000 0.0718866 0.0000000 1.2937453 0.0000000 0.0099033 0.0000000 1.1217778 2 Rb 1.7880673 0.0000000 -0.0718866 0.0000000 1.2937453 0.0000000 -0.0099033 0.0000000 1.1217778 3 Rb 1.7880673 0.0000000 -0.0718866 0.0000000 1.2937453 0.0000000 -0.0099033 0.0000000 1.1217778 4 Rb 1.7880673 0.0000000 0.0718866 0.0000000 1.2937453 0.0000000 0.0099033 0.0000000 1.1217778 5 Cd 1.0755508 -0.0216763 0.0000000 0.0061219 2.1715768 0.0000000 0.0000000 0.0000000 2.7039993 6 Cd 1.0755508 0.0216763 0.0000000 -0.0061219 2.1715768 0.0000000 0.0000000 0.0000000 2.7039993 7 Cd 1.0755508 0.0216763 0.0000000 -0.0061219 2.1715768 0.0000000 0.0000000 0.0000000 2.7039993 8 Cd 1.0755508 -0.0216763 0.0000000 0.0061219 2.1715768 0.0000000 0.0000000 0.0000000 2.7039993 9 Au 0.1141439 0.6491433 0.0000000 1.0418269 0.3237001 0.0000000 0.0000000 0.0000000 -0.1235999 10 Au 0.1141439 0.6491433 0.0000000 1.0418269 0.3237001 0.0000000 0.0000000 0.0000000 -0.1235999 11 Au 0.1141439 -0.6491433 0.0000000 -1.0418269 0.3237001 0.0000000 0.0000000 0.0000000 -0.1235999 12 Au 0.1141439 -0.6491433 0.0000000 -1.0418269 0.3237001 0.0000000 0.0000000 0.0000000 -0.1235999 13 S -1.4888810 -0.0084875 -0.0324146 0.1629735 -1.8945111 0.0155922 -0.0521936 0.0156700 -1.8510886 14 S -1.4888810 -0.0084875 0.0324146 0.1629735 -1.8945111 -0.0155922 0.0521936 -0.0156700 -1.8510886 15 S -1.4888810 -0.0084875 0.0324146 0.1629735 -1.8945111 -0.0155922 0.0521936 -0.0156700 -1.8510886 16 S -1.4888810 0.0084875 0.0324146 -0.1629735 -1.8945111 0.0155922 0.0521936 0.0156700 -1.8510886 17 S -1.4888810 0.0084875 0.0324146 -0.1629735 -1.8945111 0.0155922 0.0521936 0.0156700 -1.8510886 18 S -1.4888810 -0.0084875 -0.0324146 0.1629735 -1.8945111 0.0155922 -0.0521936 0.0156700 -1.8510886 19 S -1.4888810 0.0084875 -0.0324146 -0.1629735 -1.8945111 -0.0155922 -0.0521936 -0.0156700 -1.8510886 20 S -1.4888810 0.0084875 -0.0324146 -0.1629735 -1.8945111 -0.0155922 -0.0521936 -0.0156700 -1.8510886 ---------------------------------------------------------------------------- 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[ 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[ 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[ 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 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:18:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:18:00]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pcca (54) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.757588699999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.588402990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.952156810000002 Atomic positions (fractional): 1 Rb 0.50000000000000 0.71194414847580 0.25000000000000 85.468 2 Rb 0.00000000000000 0.71194414847580 0.75000000000000 85.468 3 Rb 0.00000000000000 0.28805585152420 0.25000000000000 85.468 4 Rb 0.50000000000000 0.28805585152420 0.75000000000000 85.468 5 Cd 0.25000000000000 0.00000000000000 0.10282330064294 112.411 6 Cd 0.25000000000000 0.00000000000000 0.60282330064294 112.411 7 Cd 0.75000000000000 0.00000000000000 0.39717669935706 112.411 8 Cd 0.75000000000000 0.00000000000000 0.89717669935706 112.411 9 Au 0.25000000000000 0.50000000000000 0.85801439399213 196.967 10 Au 0.75000000000000 0.50000000000000 0.14198560600787 196.967 11 Au 0.25000000000000 0.50000000000000 0.35801439399213 196.967 12 Au 0.75000000000000 0.50000000000000 0.64198560600787 196.967 13 S 0.36415779166626 0.80008760348286 0.85437996882766 32.065 14 S 0.86415779166626 0.80008760348286 0.14562003117234 32.065 15 S 0.13584220833374 0.19991239651715 0.85437996882766 32.065 16 S 0.13584220833374 0.80008760348286 0.35437996882766 32.065 17 S 0.86415779166626 0.19991239651715 0.64562003117234 32.065 18 S 0.63584220833374 0.19991239651715 0.14562003117234 32.065 19 S 0.63584220833374 0.80008760348286 0.64562003117234 32.065 20 S 0.36415779166626 0.19991239651715 0.35437996882766 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.757588699999999 0.000000000000000 0.000000000000000 b 0.000000000000000 16.765208970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.904313620000003 Atomic positions (fractional): 1 Rb 0.50000000000000 0.23731471615860 0.12500000000000 85.468 > 1 2 Rb 0.50000000000000 0.57064804949193 0.12500000000000 85.468 > 1 3 Rb 0.50000000000000 0.90398138282527 0.12500000000000 85.468 > 1 4 Rb 0.50000000000000 0.23731471615860 0.62500000000000 85.468 > 1 5 Rb 0.50000000000000 0.57064804949193 0.62500000000000 85.468 > 1 6 Rb 0.50000000000000 0.90398138282527 0.62500000000000 85.468 > 1 7 Rb 0.00000000000000 0.23731471615860 0.37500000000000 85.468 > 7 8 Rb 0.00000000000000 0.57064804949193 0.37500000000000 85.468 > 7 9 Rb 0.00000000000000 0.90398138282527 0.37500000000000 85.468 > 7 10 Rb 0.00000000000000 0.23731471615860 0.87500000000000 85.468 > 7 11 Rb 0.00000000000000 0.57064804949193 0.87500000000000 85.468 > 7 12 Rb 0.00000000000000 0.90398138282527 0.87500000000000 85.468 > 7 13 Rb 0.00000000000000 0.09601861717473 0.12500000000000 85.468 > 13 14 Rb 0.00000000000000 0.42935195050807 0.12500000000000 85.468 > 13 15 Rb 0.00000000000000 0.76268528384140 0.12500000000000 85.468 > 13 16 Rb 0.00000000000000 0.09601861717473 0.62500000000000 85.468 > 13 17 Rb 0.00000000000000 0.42935195050807 0.62500000000000 85.468 > 13 18 Rb 0.00000000000000 0.76268528384140 0.62500000000000 85.468 > 13 19 Rb 0.50000000000000 0.09601861717473 0.37500000000000 85.468 > 19 20 Rb 0.50000000000000 0.42935195050807 0.37500000000000 85.468 > 19 21 Rb 0.50000000000000 0.76268528384140 0.37500000000000 85.468 > 19 22 Rb 0.50000000000000 0.09601861717473 0.87500000000000 85.468 > 19 23 Rb 0.50000000000000 0.42935195050807 0.87500000000000 85.468 > 19 24 Rb 0.50000000000000 0.76268528384140 0.87500000000000 85.468 > 19 25 Cd 0.25000000000000 0.00000000000000 0.05141165032147 112.411 > 25 26 Cd 0.25000000000000 0.33333333333333 0.05141165032147 112.411 > 25 27 Cd 0.25000000000000 0.66666666666667 0.05141165032147 112.411 > 25 28 Cd 0.25000000000000 0.00000000000000 0.55141165032147 112.411 > 25 29 Cd 0.25000000000000 0.33333333333333 0.55141165032147 112.411 > 25 30 Cd 0.25000000000000 0.66666666666667 0.55141165032147 112.411 > 25 31 Cd 0.25000000000000 0.00000000000000 0.30141165032147 112.411 > 31 32 Cd 0.25000000000000 0.33333333333333 0.30141165032147 112.411 > 31 33 Cd 0.25000000000000 0.66666666666667 0.30141165032147 112.411 > 31 34 Cd 0.25000000000000 0.00000000000000 0.80141165032147 112.411 > 31 35 Cd 0.25000000000000 0.33333333333333 0.80141165032147 112.411 > 31 36 Cd 0.25000000000000 0.66666666666667 0.80141165032147 112.411 > 31 37 Cd 0.75000000000000 0.00000000000000 0.19858834967853 112.411 > 37 38 Cd 0.75000000000000 0.33333333333333 0.19858834967853 112.411 > 37 39 Cd 0.75000000000000 0.66666666666667 0.19858834967853 112.411 > 37 40 Cd 0.75000000000000 0.00000000000000 0.69858834967853 112.411 > 37 41 Cd 0.75000000000000 0.33333333333333 0.69858834967853 112.411 > 37 42 Cd 0.75000000000000 0.66666666666667 0.69858834967853 112.411 > 37 43 Cd 0.75000000000000 0.00000000000000 0.44858834967853 112.411 > 43 44 Cd 0.75000000000000 0.33333333333333 0.44858834967853 112.411 > 43 45 Cd 0.75000000000000 0.66666666666667 0.44858834967853 112.411 > 43 46 Cd 0.75000000000000 0.00000000000000 0.94858834967853 112.411 > 43 47 Cd 0.75000000000000 0.33333333333333 0.94858834967853 112.411 > 43 48 Cd 0.75000000000000 0.66666666666667 0.94858834967853 112.411 > 43 49 Au 0.25000000000000 0.16666666666667 0.42900719699607 196.967 > 49 50 Au 0.25000000000000 0.50000000000000 0.42900719699607 196.967 > 49 51 Au 0.25000000000000 0.83333333333333 0.42900719699607 196.967 > 49 52 Au 0.25000000000000 0.16666666666667 0.92900719699607 196.967 > 49 53 Au 0.25000000000000 0.50000000000000 0.92900719699607 196.967 > 49 54 Au 0.25000000000000 0.83333333333333 0.92900719699607 196.967 > 49 55 Au 0.75000000000000 0.16666666666667 0.07099280300393 196.967 > 55 56 Au 0.75000000000000 0.50000000000000 0.07099280300393 196.967 > 55 57 Au 0.75000000000000 0.83333333333333 0.07099280300393 196.967 > 55 58 Au 0.75000000000000 0.16666666666667 0.57099280300393 196.967 > 55 59 Au 0.75000000000000 0.50000000000000 0.57099280300393 196.967 > 55 60 Au 0.75000000000000 0.83333333333333 0.57099280300393 196.967 > 55 61 Au 0.25000000000000 0.16666666666667 0.17900719699607 196.967 > 61 62 Au 0.25000000000000 0.50000000000000 0.17900719699607 196.967 > 61 63 Au 0.25000000000000 0.83333333333333 0.17900719699607 196.967 > 61 64 Au 0.25000000000000 0.16666666666667 0.67900719699607 196.967 > 61 65 Au 0.25000000000000 0.50000000000000 0.67900719699607 196.967 > 61 66 Au 0.25000000000000 0.83333333333333 0.67900719699607 196.967 > 61 67 Au 0.75000000000000 0.16666666666667 0.32099280300393 196.967 > 67 68 Au 0.75000000000000 0.50000000000000 0.32099280300393 196.967 > 67 69 Au 0.75000000000000 0.83333333333333 0.32099280300393 196.967 > 67 70 Au 0.75000000000000 0.16666666666667 0.82099280300393 196.967 > 67 71 Au 0.75000000000000 0.50000000000000 0.82099280300393 196.967 > 67 72 Au 0.75000000000000 0.83333333333333 0.82099280300393 196.967 > 67 73 S 0.36415779166626 0.26669586782762 0.42718998441383 32.065 > 73 74 S 0.36415779166626 0.60002920116095 0.42718998441383 32.065 > 73 75 S 0.36415779166626 0.93336253449429 0.42718998441383 32.065 > 73 76 S 0.36415779166626 0.26669586782762 0.92718998441383 32.065 > 73 77 S 0.36415779166626 0.60002920116095 0.92718998441383 32.065 > 73 78 S 0.36415779166626 0.93336253449429 0.92718998441383 32.065 > 73 79 S 0.86415779166626 0.26669586782762 0.07281001558617 32.065 > 79 80 S 0.86415779166626 0.60002920116095 0.07281001558617 32.065 > 79 81 S 0.86415779166626 0.93336253449429 0.07281001558617 32.065 > 79 82 S 0.86415779166626 0.26669586782762 0.57281001558617 32.065 > 79 83 S 0.86415779166626 0.60002920116095 0.57281001558617 32.065 > 79 84 S 0.86415779166626 0.93336253449429 0.57281001558617 32.065 > 79 85 S 0.13584220833374 0.06663746550572 0.42718998441383 32.065 > 85 86 S 0.13584220833374 0.39997079883905 0.42718998441383 32.065 > 85 87 S 0.13584220833374 0.73330413217238 0.42718998441383 32.065 > 85 88 S 0.13584220833374 0.06663746550572 0.92718998441383 32.065 > 85 89 S 0.13584220833374 0.39997079883905 0.92718998441383 32.065 > 85 90 S 0.13584220833374 0.73330413217238 0.92718998441383 32.065 > 85 91 S 0.13584220833374 0.26669586782762 0.17718998441383 32.065 > 91 92 S 0.13584220833374 0.60002920116095 0.17718998441383 32.065 > 91 93 S 0.13584220833374 0.93336253449429 0.17718998441383 32.065 > 91 94 S 0.13584220833374 0.26669586782762 0.67718998441383 32.065 > 91 95 S 0.13584220833374 0.60002920116095 0.67718998441383 32.065 > 91 96 S 0.13584220833374 0.93336253449429 0.67718998441383 32.065 > 91 97 S 0.86415779166626 0.06663746550572 0.32281001558617 32.065 > 97 98 S 0.86415779166626 0.39997079883905 0.32281001558617 32.065 > 97 99 S 0.86415779166626 0.73330413217238 0.32281001558617 32.065 > 97 100 S 0.86415779166626 0.06663746550572 0.82281001558617 32.065 > 97 101 S 0.86415779166626 0.39997079883905 0.82281001558617 32.065 > 97 102 S 0.86415779166626 0.73330413217238 0.82281001558617 32.065 > 97 103 S 0.63584220833374 0.06663746550572 0.07281001558617 32.065 > 103 104 S 0.63584220833374 0.39997079883905 0.07281001558617 32.065 > 103 105 S 0.63584220833374 0.73330413217238 0.07281001558617 32.065 > 103 106 S 0.63584220833374 0.06663746550572 0.57281001558617 32.065 > 103 107 S 0.63584220833374 0.39997079883905 0.57281001558617 32.065 > 103 108 S 0.63584220833374 0.73330413217238 0.57281001558617 32.065 > 103 109 S 0.63584220833374 0.26669586782762 0.32281001558617 32.065 > 109 110 S 0.63584220833374 0.60002920116095 0.32281001558617 32.065 > 109 111 S 0.63584220833374 0.93336253449429 0.32281001558617 32.065 > 109 112 S 0.63584220833374 0.26669586782762 0.82281001558617 32.065 > 109 113 S 0.63584220833374 0.60002920116095 0.82281001558617 32.065 > 109 114 S 0.63584220833374 0.93336253449429 0.82281001558617 32.065 > 109 115 S 0.36415779166626 0.06663746550572 0.17718998441383 32.065 > 115 116 S 0.36415779166626 0.39997079883905 0.17718998441383 32.065 > 115 117 S 0.36415779166626 0.73330413217238 0.17718998441383 32.065 > 115 118 S 0.36415779166626 0.06663746550572 0.67718998441383 32.065 > 115 119 S 0.36415779166626 0.39997079883905 0.67718998441383 32.065 > 115 120 S 0.36415779166626 0.73330413217238 0.67718998441383 32.065 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4228347 0.0000000 0.0000000 0.0000000 5.5670085 0.0000000 0.0000000 0.0000000 5.4703661 -------------------------- Born effective charges -------------------------- 1 Rb 1.7880673 0.0000000 0.0718866 0.0000000 1.2937453 0.0000000 0.0099033 0.0000000 1.1217778 2 Rb 1.7880673 0.0000000 -0.0718866 0.0000000 1.2937453 0.0000000 -0.0099033 0.0000000 1.1217778 3 Rb 1.7880673 0.0000000 -0.0718866 0.0000000 1.2937453 0.0000000 -0.0099033 0.0000000 1.1217778 4 Rb 1.7880673 0.0000000 0.0718866 0.0000000 1.2937453 0.0000000 0.0099033 0.0000000 1.1217778 5 Cd 1.0755508 -0.0216763 0.0000000 0.0061219 2.1715768 0.0000000 0.0000000 0.0000000 2.7039993 6 Cd 1.0755508 0.0216763 0.0000000 -0.0061219 2.1715768 0.0000000 0.0000000 0.0000000 2.7039993 7 Cd 1.0755508 0.0216763 0.0000000 -0.0061219 2.1715768 0.0000000 0.0000000 0.0000000 2.7039993 8 Cd 1.0755508 -0.0216763 0.0000000 0.0061219 2.1715768 0.0000000 0.0000000 0.0000000 2.7039993 9 Au 0.1141439 0.6491433 0.0000000 1.0418269 0.3237001 0.0000000 0.0000000 0.0000000 -0.1235999 10 Au 0.1141439 0.6491433 0.0000000 1.0418269 0.3237001 0.0000000 0.0000000 0.0000000 -0.1235999 11 Au 0.1141439 -0.6491433 0.0000000 -1.0418269 0.3237001 0.0000000 0.0000000 0.0000000 -0.1235999 12 Au 0.1141439 -0.6491433 0.0000000 -1.0418269 0.3237001 0.0000000 0.0000000 0.0000000 -0.1235999 13 S -1.4888810 -0.0084875 -0.0324146 0.1629735 -1.8945111 0.0155922 -0.0521936 0.0156700 -1.8510886 14 S -1.4888810 -0.0084875 0.0324146 0.1629735 -1.8945111 -0.0155922 0.0521936 -0.0156700 -1.8510886 15 S -1.4888810 -0.0084875 0.0324146 0.1629735 -1.8945111 -0.0155922 0.0521936 -0.0156700 -1.8510886 16 S -1.4888810 0.0084875 0.0324146 -0.1629735 -1.8945111 0.0155922 0.0521936 0.0156700 -1.8510886 17 S -1.4888810 0.0084875 0.0324146 -0.1629735 -1.8945111 0.0155922 0.0521936 0.0156700 -1.8510886 18 S -1.4888810 -0.0084875 -0.0324146 0.1629735 -1.8945111 0.0155922 -0.0521936 0.0156700 -1.8510886 19 S -1.4888810 0.0084875 -0.0324146 -0.1629735 -1.8945111 -0.0155922 -0.0521936 -0.0156700 -1.8510886 20 S -1.4888810 0.0084875 -0.0324146 -0.1629735 -1.8945111 -0.0155922 -0.0521936 -0.0156700 -1.8510886 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 9 7 ] 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: 0.51, Number of G-points: 305, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| -0.000 ( 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 0.701 ( 0.000 0.000 0.000) 0.000 0.806 ( 0.000 0.000 0.000) 0.000 1.022 ( 0.000 0.000 0.000) 0.000 1.046 ( 0.000 0.000 0.000) 0.000 1.054 ( 0.000 0.000 0.000) 0.000 1.084 ( 0.000 0.000 0.000) 0.000 1.164 ( 0.000 0.000 0.000) 0.000 1.253 ( 0.000 0.000 0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.345 ( 0.000 0.000 0.000) 0.000 1.425 ( 0.000 0.000 0.000) 0.000 1.441 ( 0.000 0.000 0.000) 0.000 1.540 ( 0.000 0.000 0.000) 0.000 1.614 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 0.000) 0.000 1.805 ( 0.000 0.000 0.000) 0.000 1.842 ( 0.000 0.000 0.000) 0.000 1.876 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 1.966 ( 0.000 0.000 0.000) 0.000 1.982 ( 0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.276 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 5.028 ( 0.000 0.000 0.000) 0.000 5.828 ( 0.000 0.000 0.000) 0.000 6.006 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.132 ( 0.000 0.000 0.000) 0.000 6.324 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.671 ( 0.000 0.000 0.000) 0.000 6.673 ( 0.000 0.000 0.000) 0.000 6.692 ( 0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 0.000) 0.000 7.137 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.474 ( 0.000 0.000 0.000) 0.000 9.991 ( 0.000 0.000 0.000) 0.000 10.047 ( 0.000 0.000 0.000) 0.000 10.196 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000 10.225 ( 0.000 0.000 0.000) 0.000 10.251 ( 0.000 0.000 0.000) 0.000 10.254 ( 0.000 0.000 0.000) 0.000 10.522 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.231 ( 12.386 0.000 0.000) 12.386 0.281 ( 15.017 0.000 0.000) 15.017 0.451 ( 23.936 0.000 0.000) 23.936 0.620 ( -7.744 0.000 0.000) 7.744 0.730 ( -7.977 0.000 0.000) 7.977 1.043 ( -0.287 0.000 0.000) 0.287 1.045 ( -0.090 0.000 0.000) 0.090 1.091 ( 4.643 0.000 0.000) 4.643 1.137 ( 4.915 0.000 0.000) 4.915 1.153 ( -11.434 0.000 0.000) 11.434 1.184 ( 1.783 0.000 0.000) 1.783 1.284 ( -4.367 0.000 0.000) 4.367 1.307 ( -2.520 0.000 0.000) 2.520 1.375 ( -6.217 0.000 0.000) 6.217 1.460 ( 2.724 0.000 0.000) 2.724 1.545 ( -1.461 0.000 0.000) 1.461 1.632 ( 1.934 0.000 0.000) 1.934 1.708 ( 3.230 0.000 0.000) 3.230 1.716 ( -0.991 0.000 0.000) 0.991 1.817 ( -0.825 0.000 0.000) 0.825 1.841 ( 2.289 0.000 0.000) 2.289 1.884 ( 0.821 0.000 0.000) 0.821 1.943 ( 1.322 0.000 0.000) 1.322 1.954 ( -1.204 0.000 0.000) 1.204 1.982 ( -0.218 0.000 0.000) 0.218 1.994 ( -2.363 0.000 0.000) 2.363 2.078 ( 0.946 0.000 0.000) 0.946 2.122 ( -0.944 0.000 0.000) 0.944 2.240 ( 0.566 0.000 0.000) 0.566 2.279 ( -1.369 0.000 0.000) 1.369 2.295 ( 1.964 0.000 0.000) 1.964 2.376 ( -1.598 0.000 0.000) 1.598 2.794 ( 4.402 0.000 0.000) 4.402 2.953 ( -2.725 0.000 0.000) 2.725 3.328 ( 0.840 0.000 0.000) 0.840 3.366 ( -0.791 0.000 0.000) 0.791 5.016 ( 0.249 0.000 0.000) 0.249 5.028 ( -0.305 0.000 0.000) 0.305 5.853 ( 2.624 0.000 0.000) 2.624 5.979 ( -2.805 0.000 0.000) 2.805 6.110 ( 0.408 0.000 0.000) 0.408 6.128 ( -0.382 0.000 0.000) 0.382 6.324 ( -0.063 0.000 0.000) 0.063 6.325 ( -0.096 0.000 0.000) 0.096 6.677 ( 0.381 0.000 0.000) 0.381 6.690 ( -0.204 0.000 0.000) 0.204 7.048 ( 0.256 0.000 0.000) 0.256 7.063 ( -0.431 0.000 0.000) 0.431 7.115 ( 0.509 0.000 0.000) 0.509 7.133 ( -0.338 0.000 0.000) 0.338 7.395 ( 1.521 0.000 0.000) 1.521 7.461 ( -1.351 0.000 0.000) 1.351 9.997 ( 0.707 0.000 0.000) 0.707 10.036 ( -1.039 0.000 0.000) 1.039 10.207 ( 1.063 0.000 0.000) 1.063 10.228 ( 0.382 0.000 0.000) 0.382 10.247 ( -0.583 0.000 0.000) 0.583 10.247 ( -0.566 0.000 0.000) 0.566 10.508 ( 0.265 0.000 0.000) 0.265 10.519 ( -0.231 0.000 0.000) 0.231 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -10.948 0.000 0.000) 10.948 0.444 ( 10.948 0.000 0.000) 10.948 0.536 ( -12.797 0.000 0.000) 12.797 0.536 ( 12.797 0.000 0.000) 12.797 0.857 ( -20.001 0.000 0.000) 20.001 0.857 ( 20.001 0.000 0.000) 20.001 1.043 ( -0.096 0.000 0.000) 0.096 1.043 ( 0.096 0.000 0.000) 0.096 1.178 ( -4.108 0.000 0.000) 4.108 1.178 ( 4.108 0.000 0.000) 4.108 1.249 ( -7.012 0.000 0.000) 7.012 1.249 ( 7.012 0.000 0.000) 7.012 1.255 ( -2.417 0.000 0.000) 2.417 1.255 ( 2.417 0.000 0.000) 2.417 1.509 ( -2.453 0.000 0.000) 2.453 1.509 ( 2.453 0.000 0.000) 2.453 1.678 ( -2.730 0.000 0.000) 2.730 1.678 ( 2.730 0.000 0.000) 2.730 1.772 ( -3.350 0.000 0.000) 3.350 1.772 ( 3.350 0.000 0.000) 3.350 1.894 ( -0.975 0.000 0.000) 0.975 1.894 ( 0.975 0.000 0.000) 0.975 1.945 ( -1.677 0.000 0.000) 1.677 1.945 ( 1.677 0.000 0.000) 1.677 1.969 ( -1.221 0.000 0.000) 1.221 1.969 ( 1.221 0.000 0.000) 1.221 2.100 ( -1.352 0.000 0.000) 1.352 2.100 ( 1.352 0.000 0.000) 1.352 2.255 ( -1.122 0.000 0.000) 1.122 2.255 ( 1.122 0.000 0.000) 1.122 2.337 ( -2.426 0.000 0.000) 2.426 2.337 ( 2.426 0.000 0.000) 2.426 2.883 ( -4.738 0.000 0.000) 4.738 2.883 ( 4.738 0.000 0.000) 4.738 3.347 ( -1.151 0.000 0.000) 1.151 3.347 ( 1.151 0.000 0.000) 1.151 5.022 ( -0.393 0.000 0.000) 0.393 5.022 ( 0.393 0.000 0.000) 0.393 5.915 ( -3.837 0.000 0.000) 3.837 5.915 ( 3.837 0.000 0.000) 3.837 6.119 ( -0.559 0.000 0.000) 0.559 6.119 ( 0.559 0.000 0.000) 0.559 6.323 ( -0.058 0.000 0.000) 0.058 6.323 ( 0.058 0.000 0.000) 0.058 6.685 ( -0.386 0.000 0.000) 0.386 6.685 ( 0.386 0.000 0.000) 0.386 7.055 ( -0.442 0.000 0.000) 0.442 7.055 ( 0.442 0.000 0.000) 0.442 7.125 ( -0.555 0.000 0.000) 0.555 7.125 ( 0.555 0.000 0.000) 0.555 7.429 ( -2.022 0.000 0.000) 2.022 7.429 ( 2.022 0.000 0.000) 2.022 10.015 ( -1.170 0.000 0.000) 1.170 10.015 ( 1.170 0.000 0.000) 1.170 10.229 ( -1.204 0.000 0.000) 1.204 10.229 ( 1.204 0.000 0.000) 1.204 10.237 ( -0.563 0.000 0.000) 0.563 10.237 ( 0.563 0.000 0.000) 0.563 10.514 ( -0.349 0.000 0.000) 0.349 10.514 ( 0.349 0.000 0.000) 0.349 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.229 ( 0.000 11.642 0.000) 11.642 0.306 ( 0.000 15.150 0.000) 15.150 0.448 ( 0.000 21.873 0.000) 21.873 0.728 ( 0.000 2.818 0.000) 2.818 0.794 ( 0.000 -1.160 0.000) 1.160 0.900 ( 0.000 -6.123 0.000) 6.123 0.976 ( 0.000 -6.087 0.000) 6.087 1.128 ( 0.000 3.895 0.000) 3.895 1.170 ( 0.000 -5.495 0.000) 5.495 1.173 ( 0.000 6.176 0.000) 6.176 1.239 ( 0.000 3.446 0.000) 3.446 1.286 ( 0.000 -2.002 0.000) 2.002 1.397 ( 0.000 5.672 0.000) 5.672 1.427 ( 0.000 0.117 0.000) 0.117 1.449 ( 0.000 -3.841 0.000) 3.841 1.557 ( 0.000 1.715 0.000) 1.715 1.603 ( 0.000 -1.284 0.000) 1.284 1.727 ( 0.000 1.105 0.000) 1.105 1.747 ( 0.000 6.010 0.000) 6.010 1.789 ( 0.000 -7.162 0.000) 7.162 1.790 ( 0.000 -5.266 0.000) 5.266 1.868 ( 0.000 -2.949 0.000) 2.949 1.946 ( 0.000 -2.075 0.000) 2.075 1.969 ( 0.000 2.076 0.000) 2.076 2.049 ( 0.000 -2.169 0.000) 2.169 2.068 ( 0.000 2.699 0.000) 2.699 2.103 ( 0.000 2.100 0.000) 2.100 2.104 ( 0.000 -3.471 0.000) 3.471 2.149 ( 0.000 1.102 0.000) 1.102 2.263 ( 0.000 -1.286 0.000) 1.286 2.275 ( 0.000 -1.077 0.000) 1.077 2.395 ( 0.000 0.355 0.000) 0.355 2.558 ( 0.000 -2.479 0.000) 2.479 2.721 ( 0.000 -2.840 0.000) 2.840 3.323 ( 0.000 0.183 0.000) 0.183 3.361 ( 0.000 -1.175 0.000) 1.175 5.057 ( 0.000 4.275 0.000) 4.275 5.069 ( 0.000 4.080 0.000) 4.080 5.830 ( 0.000 0.277 0.000) 0.277 6.049 ( 0.000 -4.444 0.000) 4.444 6.073 ( 0.000 -4.464 0.000) 4.464 6.389 ( 0.000 5.031 0.000) 5.031 6.389 ( 0.000 5.068 0.000) 5.068 6.616 ( 0.000 -4.654 0.000) 4.654 6.652 ( 0.000 -2.620 0.000) 2.620 6.664 ( 0.000 -2.812 0.000) 2.812 6.792 ( 0.000 -5.661 0.000) 5.661 6.947 ( 0.000 -9.181 0.000) 9.181 7.157 ( 0.000 4.316 0.000) 4.316 7.198 ( 0.000 4.920 0.000) 4.920 7.421 ( 0.000 3.682 0.000) 3.682 7.568 ( 0.000 6.646 0.000) 6.646 9.992 ( 0.000 0.198 0.000) 0.198 10.051 ( 0.000 0.355 0.000) 0.355 10.193 ( 0.000 -0.527 0.000) 0.527 10.212 ( 0.000 -0.975 0.000) 0.975 10.228 ( 0.000 0.546 0.000) 0.546 10.252 ( 0.000 0.104 0.000) 0.104 10.488 ( 0.000 -3.219 0.000) 3.219 10.491 ( 0.000 -0.907 0.000) 0.907 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.300 ( 6.576 8.090 0.000) 10.425 0.325 ( 8.740 8.110 0.000) 11.923 0.652 ( -4.807 4.740 0.000) 6.751 0.665 ( 13.602 13.033 0.000) 18.839 0.703 ( -9.122 -2.308 0.000) 9.410 0.930 ( 2.126 -5.851 0.000) 6.226 0.968 ( -0.835 -5.838 0.000) 5.897 1.137 ( -5.830 -2.238 0.000) 6.245 1.146 ( 1.973 1.846 0.000) 2.702 1.204 ( 2.786 5.621 0.000) 6.274 1.252 ( 2.655 5.350 0.000) 5.973 1.274 ( -2.262 -1.909 0.000) 2.959 1.347 ( -3.584 4.767 0.000) 5.964 1.394 ( -3.786 -0.106 0.000) 3.788 1.470 ( 2.803 1.358 0.000) 3.114 1.550 ( -1.168 1.278 0.000) 1.731 1.619 ( 1.788 -1.535 0.000) 2.357 1.716 ( -1.921 -0.834 0.000) 2.095 1.762 ( 1.223 3.453 0.000) 3.663 1.784 ( -0.819 -5.166 0.000) 5.231 1.805 ( 2.061 -5.663 0.000) 6.027 1.842 ( -0.157 -1.597 0.000) 1.604 1.927 ( -2.003 -2.385 0.000) 3.115 1.943 ( -2.630 2.658 0.000) 3.740 2.019 ( 0.210 3.532 0.000) 3.538 2.061 ( -0.788 2.933 0.000) 3.037 2.104 ( -0.068 -2.492 0.000) 2.493 2.110 ( -0.552 2.174 0.000) 2.243 2.168 ( 2.042 -4.416 0.000) 4.865 2.252 ( -2.200 -1.617 0.000) 2.730 2.316 ( 2.965 0.270 0.000) 2.977 2.388 ( -0.887 0.851 0.000) 1.229 2.671 ( 7.160 -12.014 0.000) 13.986 2.735 ( 1.168 -5.142 0.000) 5.273 3.334 ( 1.072 0.220 0.000) 1.094 3.366 ( 0.092 -1.023 0.000) 1.027 5.058 ( 0.193 4.228 0.000) 4.232 5.068 ( -0.191 4.044 0.000) 4.049 5.877 ( 5.161 1.989 0.000) 5.531 6.052 ( 0.358 -4.454 0.000) 4.468 6.069 ( -0.379 -4.460 0.000) 4.476 6.300 ( -20.354 11.982 0.000) 23.618 6.389 ( -0.044 5.095 0.000) 5.095 6.389 ( -0.047 5.103 0.000) 5.103 6.648 ( 0.457 -2.869 0.000) 2.906 6.662 ( -0.183 -2.785 0.000) 2.791 6.852 ( 2.633 -11.845 0.000) 12.135 6.932 ( -1.541 -9.831 0.000) 9.951 7.162 ( 0.440 4.322 0.000) 4.345 7.183 ( -0.771 4.629 0.000) 4.693 7.494 ( 3.959 4.705 0.000) 6.149 7.562 ( -0.706 6.844 0.000) 6.881 9.999 ( 0.726 0.200 0.000) 0.753 10.039 ( -1.087 0.305 0.000) 1.129 10.200 ( 0.662 -0.706 0.000) 0.968 10.221 ( 0.043 -1.142 0.000) 1.143 10.238 ( 1.048 0.916 0.000) 1.391 10.262 ( 0.634 0.013 0.000) 0.634 10.479 ( -0.669 -1.651 0.000) 1.782 10.484 ( -0.383 -3.282 0.000) 3.304 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.483 ( -1.733 0.749 0.000) 1.888 0.483 ( 1.733 0.749 0.000) 1.888 0.512 ( -1.272 2.844 0.000) 3.115 0.512 ( 1.272 2.844 0.000) 3.115 0.925 ( -8.622 0.483 0.000) 8.635 0.925 ( 8.622 0.483 0.000) 8.635 0.976 ( -6.228 0.560 0.000) 6.253 0.976 ( 6.228 0.560 0.000) 6.253 1.200 ( -3.712 -0.984 0.000) 3.840 1.200 ( 3.712 -0.984 0.000) 3.840 1.271 ( -3.112 5.853 0.000) 6.629 1.271 ( 3.112 5.853 0.000) 6.629 1.328 ( -3.559 3.268 0.000) 4.831 1.328 ( 3.559 3.268 0.000) 4.831 1.517 ( -2.319 1.075 0.000) 2.556 1.517 ( 2.319 1.075 0.000) 2.556 1.665 ( -3.071 -1.542 0.000) 3.436 1.665 ( 3.071 -1.542 0.000) 3.436 1.775 ( -0.315 -2.926 0.000) 2.943 1.775 ( 0.315 -2.926 0.000) 2.943 1.855 ( -1.131 -3.794 0.000) 3.959 1.855 ( 1.131 -3.794 0.000) 3.959 1.894 ( -0.398 1.284 0.000) 1.344 1.894 ( 0.398 1.284 0.000) 1.344 2.040 ( -1.447 3.406 0.000) 3.700 2.040 ( 1.447 3.406 0.000) 3.700 2.103 ( -0.096 -0.527 0.000) 0.536 2.103 ( 0.096 -0.527 0.000) 0.536 2.209 ( -2.352 -2.903 0.000) 3.736 2.209 ( 2.352 -2.903 0.000) 3.736 2.361 ( -2.043 1.289 0.000) 2.416 2.361 ( 2.043 1.289 0.000) 2.416 2.742 ( -1.069 -10.059 0.000) 10.116 2.742 ( 1.069 -10.059 0.000) 10.116 3.356 ( -1.104 -0.114 0.000) 1.110 3.356 ( 1.104 -0.114 0.000) 1.110 5.063 ( -0.293 4.117 0.000) 4.127 5.063 ( 0.293 4.117 0.000) 4.127 6.021 ( -11.012 7.304 0.000) 13.214 6.021 ( 11.012 7.304 0.000) 13.214 6.060 ( -0.513 -4.480 0.000) 4.509 6.060 ( 0.513 -4.480 0.000) 4.509 6.389 ( -0.004 5.107 0.000) 5.107 6.389 ( 0.004 5.107 0.000) 5.107 6.657 ( -0.409 -2.764 0.000) 2.794 6.657 ( 0.409 -2.764 0.000) 2.794 6.896 ( -2.304 -11.277 0.000) 11.510 6.896 ( 2.304 -11.277 0.000) 11.510 7.171 ( -0.590 4.374 0.000) 4.414 7.171 ( 0.590 4.374 0.000) 4.414 7.541 ( -1.625 6.777 0.000) 6.969 7.541 ( 1.625 6.777 0.000) 6.969 10.017 ( -1.199 0.237 0.000) 1.222 10.017 ( 1.199 0.237 0.000) 1.222 10.213 ( -0.674 -0.878 0.000) 1.107 10.213 ( 0.674 -0.878 0.000) 1.107 10.259 ( -0.938 1.042 0.000) 1.402 10.259 ( 0.938 1.042 0.000) 1.402 10.477 ( -0.295 -3.063 0.000) 3.077 10.477 ( 0.295 -3.063 0.000) 3.077 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.461 ( 0.000 11.620 0.000) 11.620 0.586 ( 0.000 11.680 0.000) 11.680 0.769 ( 0.000 -0.883 0.000) 0.883 0.792 ( 0.000 6.683 0.000) 6.683 0.804 ( 0.000 -2.340 0.000) 2.340 0.849 ( 0.000 -6.270 0.000) 6.270 0.876 ( 0.000 17.612 0.000) 17.612 1.022 ( 0.000 -6.700 0.000) 6.700 1.181 ( 0.000 -3.912 0.000) 3.912 1.206 ( 0.000 3.118 0.000) 3.118 1.336 ( 0.000 5.967 0.000) 5.967 1.353 ( 0.000 6.245 0.000) 6.245 1.373 ( 0.000 -3.013 0.000) 3.013 1.418 ( 0.000 -1.905 0.000) 1.905 1.522 ( 0.000 6.178 0.000) 6.178 1.555 ( 0.000 -3.528 0.000) 3.528 1.604 ( 0.000 2.848 0.000) 2.848 1.648 ( 0.000 -5.906 0.000) 5.906 1.650 ( 0.000 -8.166 0.000) 8.166 1.746 ( 0.000 0.508 0.000) 0.508 1.810 ( 0.000 -3.320 0.000) 3.320 1.859 ( 0.000 2.727 0.000) 2.727 1.899 ( 0.000 -2.578 0.000) 2.578 1.981 ( 0.000 -4.821 0.000) 4.821 1.987 ( 0.000 -6.069 0.000) 6.069 2.006 ( 0.000 1.430 0.000) 1.430 2.111 ( 0.000 1.669 0.000) 1.669 2.132 ( 0.000 0.920 0.000) 0.920 2.172 ( 0.000 0.798 0.000) 0.798 2.227 ( 0.000 -2.129 0.000) 2.129 2.273 ( 0.000 0.610 0.000) 0.610 2.403 ( 0.000 0.441 0.000) 0.441 2.497 ( 0.000 -3.322 0.000) 3.322 2.639 ( 0.000 -5.095 0.000) 5.095 3.320 ( 0.000 -0.606 0.000) 0.606 3.330 ( 0.000 -1.801 0.000) 1.801 5.176 ( 0.000 7.469 0.000) 7.469 5.184 ( 0.000 7.125 0.000) 7.125 5.843 ( 0.000 1.057 0.000) 1.057 5.962 ( 0.000 -3.967 0.000) 3.967 5.987 ( 0.000 -3.842 0.000) 3.842 6.490 ( 0.000 4.674 0.000) 4.674 6.492 ( 0.000 4.929 0.000) 4.929 6.508 ( 0.000 -5.708 0.000) 5.708 6.575 ( 0.000 -4.929 0.000) 4.929 6.583 ( 0.000 -5.118 0.000) 5.118 6.674 ( 0.000 -5.676 0.000) 5.676 6.775 ( 0.000 -7.378 0.000) 7.378 7.255 ( 0.000 4.896 0.000) 4.896 7.298 ( 0.000 4.691 0.000) 4.691 7.505 ( 0.000 4.318 0.000) 4.318 7.675 ( 0.000 3.733 0.000) 3.733 9.999 ( 0.000 0.524 0.000) 0.524 10.060 ( 0.000 0.687 0.000) 0.687 10.179 ( 0.000 -0.604 0.000) 0.604 10.185 ( 0.000 -1.699 0.000) 1.699 10.244 ( 0.000 0.784 0.000) 0.784 10.254 ( 0.000 0.115 0.000) 0.115 10.405 ( 0.000 -4.781 0.000) 4.781 10.467 ( 0.000 -1.375 0.000) 1.375 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 4.429 9.541 0.000) 10.519 0.536 ( -2.873 12.792 0.000) 13.111 0.678 ( -7.079 1.120 0.000) 7.167 0.738 ( -4.920 4.433 0.000) 6.622 0.818 ( 1.468 -1.026 0.000) 1.791 0.849 ( -0.284 -5.723 0.000) 5.730 0.973 ( 7.345 12.569 0.000) 14.558 1.072 ( 3.010 -3.689 0.000) 4.762 1.197 ( 1.184 -2.616 0.000) 2.872 1.206 ( 0.094 3.342 0.000) 3.343 1.338 ( -0.085 2.787 0.000) 2.788 1.353 ( -0.140 4.058 0.000) 4.060 1.369 ( 0.280 0.538 0.000) 0.607 1.411 ( -1.021 0.389 0.000) 1.093 1.527 ( 0.715 3.595 0.000) 3.665 1.577 ( 2.323 -2.005 0.000) 3.069 1.590 ( -1.807 1.346 0.000) 2.253 1.645 ( 0.055 -6.470 0.000) 6.470 1.650 ( 0.237 -6.138 0.000) 6.142 1.712 ( -3.563 -0.098 0.000) 3.565 1.792 ( -1.111 -3.223 0.000) 3.410 1.826 ( -2.688 -2.097 0.000) 3.409 1.911 ( 1.308 1.857 0.000) 2.272 1.967 ( -0.880 -1.413 0.000) 1.665 2.010 ( 1.933 -5.500 0.000) 5.830 2.040 ( 2.172 -1.771 0.000) 2.803 2.107 ( -0.390 1.785 0.000) 1.827 2.109 ( -2.228 0.507 0.000) 2.285 2.156 ( 0.521 1.231 0.000) 1.337 2.242 ( -2.924 0.324 0.000) 2.942 2.300 ( 5.054 -1.631 0.000) 5.310 2.402 ( -0.472 0.572 0.000) 0.742 2.520 ( 2.351 -4.848 0.000) 5.388 2.620 ( -2.015 -5.943 0.000) 6.275 3.327 ( 0.629 -0.918 0.000) 1.113 3.335 ( 0.335 -1.880 0.000) 1.910 5.177 ( 0.079 7.407 0.000) 7.407 5.182 ( -0.145 7.166 0.000) 7.168 5.917 ( 7.838 1.702 0.000) 8.021 5.966 ( 0.658 -3.679 0.000) 3.737 5.983 ( -0.419 -3.872 0.000) 3.895 6.400 ( -13.144 0.717 0.000) 13.163 6.492 ( -0.033 4.686 0.000) 4.686 6.492 ( -0.017 4.922 0.000) 4.922 6.567 ( 0.466 -5.040 0.000) 5.062 6.583 ( -0.113 -5.087 0.000) 5.089 6.652 ( 0.423 -8.382 0.000) 8.393 6.750 ( -2.631 -7.841 0.000) 8.271 7.260 ( 0.525 4.968 0.000) 4.996 7.285 ( -0.856 5.055 0.000) 5.127 7.568 ( 4.889 3.098 0.000) 5.788 7.668 ( -0.842 3.606 0.000) 3.703 10.006 ( 0.739 0.538 0.000) 0.914 10.048 ( -1.172 0.635 0.000) 1.333 10.185 ( 0.543 -0.675 0.000) 0.866 10.193 ( 0.565 -1.683 0.000) 1.775 10.255 ( 0.994 0.558 0.000) 1.140 10.258 ( 0.434 -0.266 0.000) 0.509 10.405 ( 0.098 -4.307 0.000) 4.308 10.449 ( -1.764 -1.451 0.000) 2.284 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.536 ( -2.525 6.494 0.000) 6.968 0.536 ( 2.525 6.494 0.000) 6.968 0.641 ( -4.836 7.997 0.000) 9.345 0.641 ( 4.836 7.997 0.000) 9.345 0.839 ( -0.808 -4.378 0.000) 4.451 0.839 ( 0.808 -4.378 0.000) 4.451 1.077 ( -2.995 3.748 0.000) 4.797 1.077 ( 2.995 3.748 0.000) 4.797 1.207 ( -0.038 2.237 0.000) 2.237 1.207 ( 0.038 2.237 0.000) 2.237 1.344 ( -0.814 -0.460 0.000) 0.935 1.344 ( 0.814 -0.460 0.000) 0.935 1.385 ( -1.323 3.634 0.000) 3.868 1.385 ( 1.323 3.634 0.000) 3.868 1.552 ( -1.947 1.254 0.000) 2.316 1.552 ( 1.947 1.254 0.000) 2.316 1.635 ( -3.654 -1.185 0.000) 3.841 1.635 ( 3.654 -1.185 0.000) 3.841 1.653 ( -0.234 -5.577 0.000) 5.582 1.653 ( 0.234 -5.577 0.000) 5.582 1.789 ( -1.004 -3.568 0.000) 3.707 1.789 ( 1.004 -3.568 0.000) 3.707 1.942 ( -1.839 1.284 0.000) 2.243 1.942 ( 1.839 1.284 0.000) 2.243 2.044 ( -1.660 -4.208 0.000) 4.524 2.044 ( 1.660 -4.208 0.000) 4.524 2.096 ( -0.739 2.134 0.000) 2.258 2.096 ( 0.739 2.134 0.000) 2.258 2.187 ( -2.692 0.238 0.000) 2.702 2.187 ( 2.692 0.238 0.000) 2.702 2.374 ( -2.824 -0.007 0.000) 2.824 2.374 ( 2.824 -0.007 0.000) 2.824 2.572 ( -3.072 -6.666 0.000) 7.340 2.572 ( 3.072 -6.666 0.000) 7.340 3.336 ( -0.245 -1.580 0.000) 1.599 3.336 ( 0.245 -1.580 0.000) 1.599 5.179 ( -0.162 7.277 0.000) 7.279 5.179 ( 0.162 7.277 0.000) 7.279 5.973 ( -0.609 -3.952 0.000) 3.999 5.973 ( 0.609 -3.952 0.000) 3.999 6.128 ( -14.344 3.353 0.000) 14.730 6.128 ( 14.344 3.353 0.000) 14.730 6.492 ( -0.017 4.882 0.000) 4.882 6.492 ( 0.017 4.882 0.000) 4.882 6.578 ( -0.410 -4.997 0.000) 5.014 6.578 ( 0.410 -4.997 0.000) 5.014 6.692 ( -3.304 -8.777 0.000) 9.378 6.692 ( 3.304 -8.777 0.000) 9.378 7.272 ( -0.706 5.086 0.000) 5.135 7.272 ( 0.706 5.086 0.000) 5.135 7.639 ( -2.636 3.169 0.000) 4.122 7.639 ( 2.636 3.169 0.000) 4.122 10.025 ( -1.254 0.573 0.000) 1.379 10.025 ( 1.254 0.573 0.000) 1.379 10.195 ( -0.400 -1.024 0.000) 1.099 10.195 ( 0.400 -1.024 0.000) 1.099 10.266 ( -0.079 -0.355 0.000) 0.363 10.266 ( 0.079 -0.355 0.000) 0.363 10.417 ( -1.386 -2.633 0.000) 2.976 10.417 ( 1.386 -2.633 0.000) 2.976 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.662 ( 0.000 -1.355 0.000) 1.355 0.684 ( 0.000 10.441 0.000) 10.441 0.738 ( 0.000 -4.642 0.000) 4.642 0.781 ( 0.000 2.656 0.000) 2.656 0.881 ( 0.000 5.139 0.000) 5.139 0.916 ( 0.000 6.592 0.000) 6.592 0.958 ( 0.000 0.871 0.000) 0.871 1.137 ( 0.000 2.364 0.000) 2.364 1.206 ( 0.000 14.030 0.000) 14.030 1.229 ( 0.000 -1.119 0.000) 1.119 1.305 ( 0.000 -8.855 0.000) 8.855 1.349 ( 0.000 0.720 0.000) 0.720 1.445 ( 0.000 4.445 0.000) 4.445 1.455 ( 0.000 3.081 0.000) 3.081 1.481 ( 0.000 -8.462 0.000) 8.462 1.508 ( 0.000 -0.831 0.000) 0.831 1.565 ( 0.000 -2.818 0.000) 2.818 1.628 ( 0.000 4.202 0.000) 4.202 1.660 ( 0.000 2.422 0.000) 2.422 1.727 ( 0.000 -10.426 0.000) 10.426 1.730 ( 0.000 -4.566 0.000) 4.566 1.739 ( 0.000 -1.331 0.000) 1.331 1.855 ( 0.000 -1.532 0.000) 1.532 1.858 ( 0.000 -7.227 0.000) 7.227 2.002 ( 0.000 3.026 0.000) 3.026 2.025 ( 0.000 0.597 0.000) 0.597 2.138 ( 0.000 1.151 0.000) 1.151 2.144 ( 0.000 0.330 0.000) 0.330 2.171 ( 0.000 -0.876 0.000) 0.876 2.188 ( 0.000 -1.635 0.000) 1.635 2.285 ( 0.000 0.355 0.000) 0.355 2.411 ( 0.000 0.355 0.000) 0.355 2.438 ( 0.000 -2.403 0.000) 2.403 2.533 ( 0.000 -5.201 0.000) 5.201 3.295 ( 0.000 -1.595 0.000) 1.595 3.302 ( 0.000 -1.037 0.000) 1.037 5.336 ( 0.000 7.665 0.000) 7.665 5.336 ( 0.000 8.058 0.000) 8.058 5.866 ( 0.000 0.875 0.000) 0.875 5.899 ( 0.000 -1.993 0.000) 1.993 5.925 ( 0.000 -2.321 0.000) 2.321 6.405 ( 0.000 -4.247 0.000) 4.247 6.466 ( 0.000 -5.671 0.000) 5.671 6.471 ( 0.000 -5.834 0.000) 5.834 6.549 ( 0.000 -0.882 0.000) 0.882 6.576 ( 0.000 3.341 0.000) 3.341 6.596 ( 0.000 0.011 0.000) 0.011 6.663 ( 0.000 -3.989 0.000) 3.989 7.337 ( 0.000 3.177 0.000) 3.177 7.376 ( 0.000 3.104 0.000) 3.104 7.580 ( 0.000 3.027 0.000) 3.027 7.719 ( 0.000 0.937 0.000) 0.937 10.014 ( 0.000 0.910 0.000) 0.910 10.081 ( 0.000 1.507 0.000) 1.507 10.148 ( 0.000 -1.927 0.000) 1.927 10.176 ( 0.000 0.340 0.000) 0.340 10.252 ( 0.000 -0.028 0.000) 0.028 10.256 ( 0.000 0.032 0.000) 0.032 10.308 ( 0.000 -4.784 0.000) 4.784 10.441 ( 0.000 -1.172 0.000) 1.172 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 0.369 -0.515 0.000) 0.633 0.682 ( -0.309 6.350 0.000) 6.358 0.741 ( 0.541 0.884 0.000) 1.037 0.798 ( 2.458 6.398 0.000) 6.854 0.840 ( -3.674 7.326 0.000) 8.195 0.907 ( -1.557 7.504 0.000) 7.664 1.011 ( 4.534 -1.916 0.000) 4.922 1.118 ( -1.300 1.751 0.000) 2.181 1.244 ( 1.564 -0.366 0.000) 1.606 1.244 ( 3.150 8.273 0.000) 8.852 1.324 ( 1.998 -8.175 0.000) 8.416 1.330 ( -1.900 0.449 0.000) 1.952 1.400 ( -4.444 0.955 0.000) 4.545 1.424 ( -2.345 -2.630 0.000) 3.524 1.495 ( 1.694 -1.510 0.000) 2.270 1.535 ( 1.045 -0.355 0.000) 1.104 1.575 ( 1.640 -0.529 0.000) 1.723 1.634 ( 0.629 3.216 0.000) 3.277 1.658 ( -0.272 2.425 0.000) 2.440 1.695 ( -3.287 -3.440 0.000) 4.758 1.719 ( -0.763 -7.744 0.000) 7.782 1.724 ( -1.364 -2.322 0.000) 2.693 1.866 ( 1.008 -3.285 0.000) 3.436 1.873 ( 1.123 -6.365 0.000) 6.464 2.006 ( 0.446 2.270 0.000) 2.313 2.024 ( -0.157 -0.239 0.000) 0.286 2.126 ( -0.661 0.690 0.000) 0.955 2.137 ( -0.224 1.205 0.000) 1.226 2.166 ( 0.447 -0.131 0.000) 0.466 2.248 ( -3.335 0.131 0.000) 3.337 2.262 ( 5.550 -1.984 0.000) 5.894 2.410 ( -0.849 0.120 0.000) 0.858 2.450 ( 1.188 -2.391 0.000) 2.670 2.511 ( -2.057 -4.783 0.000) 5.207 3.298 ( 0.302 -1.631 0.000) 1.658 3.303 ( 0.102 -1.248 0.000) 1.252 5.336 ( -0.037 7.832 0.000) 7.832 5.336 ( -0.039 7.897 0.000) 7.897 5.896 ( 0.832 -2.357 0.000) 2.499 5.921 ( -0.490 -2.352 0.000) 2.403 5.957 ( 8.470 1.346 0.000) 8.576 6.389 ( -6.657 -1.021 0.000) 6.735 6.459 ( 0.032 -5.366 0.000) 5.366 6.470 ( -0.073 -5.831 0.000) 5.832 6.503 ( -1.307 -5.499 0.000) 5.652 6.575 ( -0.078 3.298 0.000) 3.299 6.580 ( -0.401 2.810 0.000) 2.839 6.629 ( -3.455 -4.337 0.000) 5.546 7.344 ( 0.674 3.257 0.000) 3.326 7.370 ( -0.577 3.300 0.000) 3.350 7.620 ( 3.537 2.071 0.000) 4.098 7.711 ( -0.967 0.960 0.000) 1.363 10.022 ( 0.844 1.025 0.000) 1.328 10.067 ( -1.296 1.376 0.000) 1.890 10.155 ( 0.735 -2.078 0.000) 2.204 10.176 ( -0.111 -0.315 0.000) 0.334 10.254 ( 0.074 -0.640 0.000) 0.644 10.254 ( -0.123 -0.057 0.000) 0.135 10.326 ( 2.026 -3.308 0.000) 3.879 10.422 ( -2.005 -1.223 0.000) 2.349 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.674 ( -0.478 2.174 0.000) 2.226 0.674 ( 0.478 2.174 0.000) 2.226 0.774 ( -3.061 6.669 0.000) 7.338 0.774 ( 3.061 6.669 0.000) 7.338 0.858 ( -3.491 8.718 0.000) 9.391 0.858 ( 3.491 8.718 0.000) 9.391 1.084 ( -2.944 -1.829 0.000) 3.466 1.084 ( 2.944 -1.829 0.000) 3.466 1.281 ( -2.005 2.311 0.000) 3.059 1.281 ( 2.005 2.311 0.000) 3.059 1.317 ( -3.784 0.116 0.000) 3.786 1.317 ( 3.784 0.116 0.000) 3.786 1.373 ( -2.980 -6.111 0.000) 6.799 1.373 ( 2.980 -6.111 0.000) 6.799 1.528 ( -1.454 0.653 0.000) 1.594 1.528 ( 1.454 0.653 0.000) 1.594 1.628 ( -3.552 -1.327 0.000) 3.792 1.628 ( 3.552 -1.327 0.000) 3.792 1.649 ( -0.923 2.468 0.000) 2.635 1.649 ( 0.923 2.468 0.000) 2.635 1.709 ( -0.026 -4.268 0.000) 4.268 1.709 ( 0.026 -4.268 0.000) 4.268 1.881 ( -0.343 -5.134 0.000) 5.145 1.881 ( 0.343 -5.134 0.000) 5.145 2.017 ( -0.605 0.400 0.000) 0.725 2.017 ( 0.605 0.400 0.000) 0.725 2.129 ( -0.587 1.297 0.000) 1.424 2.129 ( 0.587 1.297 0.000) 1.424 2.190 ( -2.439 -0.142 0.000) 2.443 2.190 ( 2.439 -0.142 0.000) 2.443 2.360 ( -4.607 -1.400 0.000) 4.815 2.360 ( 4.607 -1.400 0.000) 4.815 2.476 ( -1.604 -3.084 0.000) 3.476 2.476 ( 1.604 -3.084 0.000) 3.476 3.303 ( -0.162 -1.560 0.000) 1.568 3.303 ( 0.162 -1.560 0.000) 1.568 5.335 ( -0.001 7.868 0.000) 7.868 5.335 ( 0.001 7.868 0.000) 7.868 5.909 ( -0.707 -2.435 0.000) 2.535 5.909 ( 0.707 -2.435 0.000) 2.535 6.169 ( -13.687 1.147 0.000) 13.734 6.169 ( 13.687 1.147 0.000) 13.734 6.468 ( -0.229 -5.752 0.000) 5.756 6.468 ( 0.229 -5.752 0.000) 5.756 6.548 ( -4.214 -4.427 0.000) 6.112 6.548 ( 4.214 -4.427 0.000) 6.112 6.578 ( -0.256 2.416 0.000) 2.429 6.578 ( 0.256 2.416 0.000) 2.429 7.358 ( -0.776 3.368 0.000) 3.457 7.358 ( 0.776 3.368 0.000) 3.457 7.679 ( -2.573 1.185 0.000) 2.833 7.679 ( 2.573 1.185 0.000) 2.833 10.042 ( -1.348 1.215 0.000) 1.815 10.042 ( 1.348 1.215 0.000) 1.815 10.169 ( -0.666 -1.654 0.000) 1.783 10.169 ( 0.666 -1.654 0.000) 1.783 10.253 ( -0.043 -0.520 0.000) 0.521 10.253 ( 0.043 -0.520 0.000) 0.521 10.374 ( -2.954 -1.698 0.000) 3.407 10.374 ( 2.954 -1.698 0.000) 3.407 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.641 ( 0.000 -0.448 0.000) 0.448 0.673 ( 0.000 -1.736 0.000) 1.736 0.843 ( 0.000 5.134 0.000) 5.134 0.888 ( 0.000 -1.558 0.000) 1.558 0.890 ( 0.000 6.766 0.000) 6.766 1.040 ( 0.000 5.488 0.000) 5.488 1.043 ( 0.000 5.196 0.000) 5.196 1.120 ( 0.000 -8.126 0.000) 8.126 1.171 ( 0.000 -3.612 0.000) 3.612 1.300 ( 0.000 10.569 0.000) 10.569 1.321 ( 0.000 -5.276 0.000) 5.276 1.391 ( 0.000 2.376 0.000) 2.376 1.410 ( 0.000 4.500 0.000) 4.500 1.411 ( 0.000 -6.424 0.000) 6.424 1.477 ( 0.000 -2.909 0.000) 2.909 1.499 ( 0.000 -0.313 0.000) 0.313 1.533 ( 0.000 -0.487 0.000) 0.487 1.605 ( 0.000 -0.948 0.000) 0.948 1.647 ( 0.000 -2.902 0.000) 2.902 1.679 ( 0.000 -1.268 0.000) 1.268 1.686 ( 0.000 1.467 0.000) 1.467 1.704 ( 0.000 -0.654 0.000) 0.654 1.741 ( 0.000 -2.848 0.000) 2.848 1.838 ( 0.000 -0.342 0.000) 0.342 2.031 ( 0.000 0.048 0.000) 0.048 2.040 ( 0.000 0.808 0.000) 0.808 2.139 ( 0.000 -0.736 0.000) 0.736 2.155 ( 0.000 0.452 0.000) 0.452 2.156 ( 0.000 -0.173 0.000) 0.173 2.166 ( 0.000 -0.498 0.000) 0.498 2.287 ( 0.000 -0.015 0.000) 0.015 2.406 ( 0.000 -0.824 0.000) 0.824 2.419 ( 0.000 0.658 0.000) 0.658 2.450 ( 0.000 -2.794 0.000) 2.794 3.272 ( 0.000 -0.637 0.000) 0.637 3.286 ( 0.000 -0.453 0.000) 0.453 5.458 ( 0.000 3.687 0.000) 3.687 5.465 ( 0.000 3.903 0.000) 3.903 5.858 ( 0.000 -0.691 0.000) 0.691 5.895 ( 0.000 -0.753 0.000) 0.753 5.896 ( 0.000 0.486 0.000) 0.486 6.348 ( 0.000 -1.412 0.000) 1.412 6.372 ( 0.000 -3.007 0.000) 3.007 6.375 ( 0.000 -2.991 0.000) 2.991 6.508 ( 0.000 -1.362 0.000) 1.362 6.613 ( 0.000 -1.183 0.000) 1.183 6.621 ( 0.000 1.170 0.000) 1.170 6.624 ( 0.000 1.016 0.000) 1.016 7.379 ( 0.000 1.040 0.000) 1.040 7.418 ( 0.000 1.076 0.000) 1.076 7.621 ( 0.000 1.054 0.000) 1.054 7.726 ( 0.000 0.024 0.000) 0.024 10.032 ( 0.000 0.739 0.000) 0.739 10.115 ( 0.000 -1.136 0.000) 1.136 10.119 ( 0.000 1.991 0.000) 1.991 10.188 ( 0.000 0.594 0.000) 0.594 10.224 ( 0.000 -3.201 0.000) 3.201 10.245 ( 0.000 -0.430 0.000) 0.430 10.256 ( 0.000 -0.013 0.000) 0.013 10.424 ( 0.000 -0.445 0.000) 0.445 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 0.397 -0.688 0.000) 0.794 0.666 ( -0.628 -1.580 0.000) 1.700 0.907 ( 1.918 -0.232 0.000) 1.932 0.908 ( 4.289 10.111 0.000) 10.983 0.934 ( 6.359 3.574 0.000) 7.294 1.025 ( -1.383 3.749 0.000) 3.996 1.035 ( -0.868 5.842 0.000) 5.906 1.141 ( 2.075 -9.414 0.000) 9.640 1.199 ( 3.092 -2.577 0.000) 4.026 1.236 ( -5.640 2.748 0.000) 6.274 1.290 ( -4.791 1.010 0.000) 4.897 1.355 ( -3.692 1.288 0.000) 3.911 1.396 ( -0.190 3.507 0.000) 3.512 1.399 ( -0.768 -1.751 0.000) 1.912 1.502 ( 1.935 -3.385 0.000) 3.899 1.505 ( 0.612 -3.274 0.000) 3.331 1.543 ( 0.678 -0.909 0.000) 1.134 1.592 ( -3.790 -3.784 0.000) 5.356 1.624 ( 1.909 -0.405 0.000) 1.952 1.685 ( -0.047 1.272 0.000) 1.273 1.686 ( 0.101 0.177 0.000) 0.204 1.696 ( -1.159 -0.688 0.000) 1.348 1.780 ( 2.916 -2.050 0.000) 3.565 1.833 ( -0.536 -0.576 0.000) 0.787 2.020 ( -0.503 -0.135 0.000) 0.520 2.034 ( -0.596 0.561 0.000) 0.819 2.137 ( 0.476 0.427 0.000) 0.640 2.154 ( -0.072 0.507 0.000) 0.512 2.157 ( 0.303 -0.545 0.000) 0.624 2.230 ( 5.354 -0.937 0.000) 5.435 2.248 ( -3.647 -0.097 0.000) 3.648 2.405 ( -2.585 -0.528 0.000) 2.639 2.420 ( 1.317 -0.718 0.000) 1.500 2.446 ( 0.079 -1.432 0.000) 1.434 3.275 ( 0.271 -0.655 0.000) 0.709 3.285 ( -0.158 -0.531 0.000) 0.554 5.459 ( 0.076 3.722 0.000) 3.723 5.463 ( -0.133 3.878 0.000) 3.880 5.864 ( 0.586 -0.813 0.000) 1.003 5.890 ( -0.539 -0.765 0.000) 0.936 5.977 ( 8.616 0.556 0.000) 8.634 6.371 ( 0.196 -2.728 0.000) 2.735 6.375 ( -0.057 -2.984 0.000) 2.985 6.377 ( -0.082 -0.020 0.000) 0.084 6.419 ( -6.313 -2.585 0.000) 6.822 6.573 ( -4.123 -1.338 0.000) 4.335 6.621 ( -0.029 1.152 0.000) 1.152 6.621 ( -0.137 1.109 0.000) 1.118 7.387 ( 0.784 1.075 0.000) 1.331 7.414 ( -0.449 1.114 0.000) 1.201 7.648 ( 2.512 0.729 0.000) 2.616 7.719 ( -0.818 0.079 0.000) 0.822 10.044 ( 1.222 0.976 0.000) 1.564 10.103 ( -1.545 1.982 0.000) 2.513 10.118 ( 0.376 -1.395 0.000) 1.445 10.158 ( -1.841 -1.637 0.000) 2.463 10.244 ( 0.436 0.089 0.000) 0.445 10.255 ( -0.149 0.030 0.000) 0.152 10.279 ( 3.746 -1.462 0.000) 4.021 10.404 ( -2.188 -0.505 0.000) 2.246 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.654 ( -0.621 -1.177 0.000) 1.331 0.654 ( 0.621 -1.177 0.000) 1.331 0.941 ( -0.871 5.745 0.000) 5.811 0.941 ( 0.871 5.745 0.000) 5.811 1.014 ( -0.901 4.881 0.000) 4.963 1.014 ( 0.901 4.881 0.000) 4.963 1.097 ( -9.426 4.784 0.000) 10.571 1.097 ( 9.426 4.784 0.000) 10.571 1.196 ( -4.240 -8.002 0.000) 9.056 1.196 ( 4.240 -8.002 0.000) 9.056 1.275 ( -4.780 -0.723 0.000) 4.834 1.275 ( 4.780 -0.723 0.000) 4.834 1.394 ( -0.101 3.364 0.000) 3.366 1.394 ( 0.101 3.364 0.000) 3.366 1.522 ( -0.758 -7.331 0.000) 7.370 1.522 ( 0.758 -7.331 0.000) 7.370 1.546 ( -0.269 0.298 0.000) 0.401 1.546 ( 0.269 0.298 0.000) 0.401 1.664 ( -2.175 -0.276 0.000) 2.192 1.664 ( 2.175 -0.276 0.000) 2.192 1.686 ( -0.109 0.753 0.000) 0.761 1.686 ( 0.109 0.753 0.000) 0.761 1.818 ( -1.235 -1.192 0.000) 1.716 1.818 ( 1.235 -1.192 0.000) 1.716 2.022 ( -0.580 0.066 0.000) 0.583 2.022 ( 0.580 0.066 0.000) 0.583 2.151 ( -0.435 0.862 0.000) 0.966 2.151 ( 0.435 0.862 0.000) 0.966 2.182 ( -2.918 -0.575 0.000) 2.975 2.182 ( 2.918 -0.575 0.000) 2.975 2.331 ( -5.194 -1.032 0.000) 5.295 2.331 ( 5.194 -1.032 0.000) 5.295 2.442 ( -0.804 -0.673 0.000) 1.048 2.442 ( 0.804 -0.673 0.000) 1.048 3.280 ( -0.303 -0.640 0.000) 0.708 3.280 ( 0.303 -0.640 0.000) 0.708 5.461 ( -0.143 3.804 0.000) 3.806 5.461 ( 0.143 3.804 0.000) 3.806 5.877 ( -0.780 -0.797 0.000) 1.115 5.877 ( 0.780 -0.797 0.000) 1.115 6.183 ( -12.968 0.320 0.000) 12.972 6.183 ( 12.968 0.320 0.000) 12.972 6.373 ( -0.075 -2.952 0.000) 2.953 6.373 ( 0.075 -2.952 0.000) 2.953 6.480 ( -5.541 -1.776 0.000) 5.819 6.480 ( 5.541 -1.776 0.000) 5.819 6.621 ( -0.013 1.138 0.000) 1.138 6.621 ( 0.013 1.138 0.000) 1.138 7.402 ( -0.824 1.124 0.000) 1.393 7.402 ( 0.824 1.124 0.000) 1.393 7.693 ( -2.049 0.292 0.000) 2.069 7.693 ( 2.049 0.292 0.000) 2.069 10.072 ( -1.726 1.573 0.000) 2.335 10.072 ( 1.726 1.573 0.000) 2.335 10.131 ( -1.127 -1.888 0.000) 2.199 10.131 ( 1.127 -1.888 0.000) 2.199 10.251 ( -0.282 0.100 0.000) 0.299 10.251 ( 0.282 0.100 0.000) 0.299 10.349 ( -3.661 -0.757 0.000) 3.738 10.349 ( 3.661 -0.757 0.000) 3.738 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.230 ( 0.000 0.000 11.162) 11.162 0.242 ( 0.000 0.000 10.595) 10.595 0.483 ( 0.000 0.000 22.071) 22.071 0.807 ( 0.000 0.000 8.947) 8.947 0.841 ( 0.000 0.000 3.098) 3.098 0.906 ( 0.000 0.000 -6.951) 6.951 1.030 ( 0.000 0.000 -5.059) 5.059 1.052 ( 0.000 0.000 0.582) 0.582 1.060 ( 0.000 0.000 0.677) 0.677 1.165 ( 0.000 0.000 -2.933) 2.933 1.246 ( 0.000 0.000 -2.216) 2.216 1.321 ( 0.000 0.000 4.039) 4.039 1.398 ( 0.000 0.000 -3.670) 3.670 1.401 ( 0.000 0.000 3.968) 3.968 1.544 ( 0.000 0.000 -0.137) 0.137 1.608 ( 0.000 0.000 5.287) 5.287 1.627 ( 0.000 0.000 0.637) 0.637 1.672 ( 0.000 0.000 -0.068) 0.068 1.727 ( 0.000 0.000 -5.356) 5.356 1.737 ( 0.000 0.000 1.968) 1.968 1.837 ( 0.000 0.000 1.475) 1.475 1.937 ( 0.000 0.000 1.986) 1.986 1.937 ( 0.000 0.000 0.315) 0.315 1.994 ( 0.000 0.000 -0.044) 0.044 1.996 ( 0.000 0.000 1.934) 1.934 2.017 ( 0.000 0.000 1.036) 1.036 2.053 ( 0.000 0.000 -0.504) 0.504 2.065 ( 0.000 0.000 -0.547) 0.547 2.125 ( 0.000 0.000 -0.583) 0.583 2.252 ( 0.000 0.000 -2.373) 2.373 2.285 ( 0.000 0.000 -0.887) 0.887 2.402 ( 0.000 0.000 0.917) 0.917 2.571 ( 0.000 0.000 -1.319) 1.319 2.727 ( 0.000 0.000 -1.476) 1.476 3.256 ( 0.000 0.000 -6.073) 6.073 3.280 ( 0.000 0.000 -8.702) 8.702 5.054 ( 0.000 0.000 3.956) 3.956 5.121 ( 0.000 0.000 8.141) 8.141 5.794 ( 0.000 0.000 -3.548) 3.548 5.956 ( 0.000 0.000 -4.235) 4.235 6.270 ( 0.000 0.000 12.038) 12.038 6.323 ( 0.000 0.000 1.307) 1.307 6.388 ( 0.000 0.000 4.254) 4.254 6.662 ( 0.000 0.000 -0.953) 0.953 6.703 ( 0.000 0.000 2.914) 2.914 6.730 ( 0.000 0.000 3.254) 3.254 7.011 ( 0.000 0.000 -5.151) 5.151 7.066 ( 0.000 0.000 -0.436) 0.436 7.134 ( 0.000 0.000 -0.281) 0.281 7.361 ( 0.000 0.000 -1.853) 1.853 7.414 ( 0.000 0.000 -1.351) 1.351 7.457 ( 0.000 0.000 -1.529) 1.529 9.999 ( 0.000 0.000 0.784) 0.784 10.056 ( 0.000 0.000 0.884) 0.884 10.196 ( 0.000 0.000 0.003) 0.003 10.201 ( 0.000 0.000 -2.117) 2.117 10.220 ( 0.000 0.000 -0.198) 0.198 10.240 ( 0.000 0.000 -1.054) 1.054 10.262 ( 0.000 0.000 0.811) 0.811 10.494 ( 0.000 0.000 -2.447) 2.447 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 9.016 0.000 9.101) 12.811 0.363 ( 11.599 0.000 7.016) 13.556 0.619 ( 13.816 0.000 13.569) 19.365 0.688 ( -8.473 0.000 5.094) 9.887 0.767 ( -7.728 0.000 3.255) 8.385 1.008 ( 5.920 0.000 -2.313) 6.356 1.040 ( 0.587 0.000 -1.031) 1.187 1.050 ( -0.127 0.000 0.548) 0.562 1.100 ( 4.639 0.000 -2.745) 5.390 1.155 ( -4.635 0.000 -0.937) 4.728 1.195 ( -3.938 0.000 -5.019) 6.379 1.282 ( -1.693 0.000 5.563) 5.815 1.342 ( -5.801 0.000 -3.056) 6.557 1.355 ( -3.490 0.000 3.315) 4.814 1.544 ( 0.785 0.000 3.795) 3.875 1.599 ( -1.146 0.000 4.643) 4.782 1.619 ( 0.436 0.000 -1.514) 1.575 1.678 ( -0.936 0.000 -2.412) 2.587 1.730 ( 2.482 0.000 0.620) 2.559 1.807 ( 3.649 0.000 -0.066) 3.649 1.829 ( 0.226 0.000 0.968) 0.994 1.932 ( -0.480 0.000 1.990) 2.047 1.944 ( 1.414 0.000 0.416) 1.474 1.982 ( -1.364 0.000 2.168) 2.562 1.990 ( -2.465 0.000 0.203) 2.474 1.994 ( -0.311 0.000 0.805) 0.862 2.058 ( 0.901 0.000 -1.511) 1.760 2.103 ( -0.546 0.000 -1.943) 2.018 2.187 ( 5.275 0.000 -2.211) 5.719 2.276 ( -0.970 0.000 -0.383) 1.043 2.282 ( 2.866 0.000 -1.347) 3.167 2.385 ( -1.828 0.000 0.705) 1.959 2.659 ( 6.771 0.000 -9.472) 11.643 2.739 ( 0.898 0.000 -3.973) 4.074 3.259 ( 0.361 0.000 -6.482) 6.492 3.276 ( -0.376 0.000 -8.341) 8.349 5.078 ( 2.004 0.000 4.645) 5.059 5.120 ( -0.189 0.000 7.759) 7.761 5.818 ( 2.443 0.000 -3.624) 4.371 5.932 ( -2.497 0.000 -4.111) 4.810 6.289 ( 2.284 0.000 13.436) 13.629 6.330 ( 0.806 0.000 1.666) 1.850 6.375 ( -1.211 0.000 3.722) 3.914 6.544 ( -11.143 0.000 12.175) 16.504 6.709 ( 0.577 0.000 3.050) 3.104 6.727 ( -0.269 0.000 3.261) 3.273 7.010 ( -0.016 0.000 -4.631) 4.631 7.055 ( -1.673 0.000 -0.049) 1.674 7.131 ( -0.250 0.000 -0.214) 0.329 7.201 ( -10.051 0.000 5.571) 11.491 7.376 ( 1.543 0.000 -1.820) 2.386 7.444 ( -1.391 0.000 -1.589) 2.112 10.005 ( 0.691 0.000 0.768) 1.033 10.045 ( -1.090 0.000 0.810) 1.358 10.204 ( 0.308 0.000 -2.170) 2.192 10.209 ( 1.236 0.000 0.182) 1.249 10.219 ( -0.319 0.000 -2.336) 2.358 10.255 ( -0.835 0.000 0.724) 1.105 10.359 ( 7.579 0.000 -5.781) 9.532 10.485 ( -1.063 0.000 -2.928) 3.115 ======================= Grid point 47 (18/60) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -9.022 0.000 7.045) 11.447 0.525 ( 9.022 0.000 7.045) 11.447 0.583 ( -11.790 0.000 4.268) 12.539 0.583 ( 11.790 0.000 4.268) 12.539 0.907 ( -15.528 0.000 4.280) 16.107 0.907 ( 15.528 0.000 4.280) 16.107 1.047 ( -0.267 0.000 0.351) 0.441 1.047 ( 0.267 0.000 0.351) 0.441 1.136 ( -4.439 0.000 -2.938) 5.323 1.136 ( 4.439 0.000 -2.938) 5.323 1.215 ( -7.353 0.000 -3.145) 7.998 1.215 ( 7.353 0.000 -3.145) 7.998 1.297 ( -2.703 0.000 3.350) 4.304 1.297 ( 2.703 0.000 3.350) 4.304 1.570 ( -1.787 0.000 4.572) 4.908 1.570 ( 1.787 0.000 4.572) 4.908 1.646 ( -2.091 0.000 -2.686) 3.404 1.646 ( 2.091 0.000 -2.686) 3.404 1.784 ( -2.782 0.000 1.313) 3.076 1.784 ( 2.782 0.000 1.313) 3.076 1.901 ( -3.744 0.000 0.234) 3.752 1.901 ( 3.744 0.000 0.234) 3.752 1.961 ( -0.286 0.000 1.606) 1.631 1.961 ( 0.286 0.000 1.606) 1.631 1.975 ( -1.611 0.000 0.719) 1.764 1.975 ( 1.611 0.000 0.719) 1.764 2.082 ( -1.478 0.000 -1.703) 2.255 2.082 ( 1.478 0.000 -1.703) 2.255 2.249 ( -2.120 0.000 -0.361) 2.151 2.249 ( 2.120 0.000 -0.361) 2.151 2.339 ( -3.048 0.000 -0.023) 3.048 2.339 ( 3.048 0.000 -0.023) 3.048 2.738 ( -1.687 0.000 -9.045) 9.201 2.738 ( 1.687 0.000 -9.045) 9.201 3.268 ( -0.522 0.000 -7.435) 7.453 3.268 ( 0.522 0.000 -7.435) 7.453 5.109 ( -1.155 0.000 6.639) 6.739 5.109 ( 1.155 0.000 6.639) 6.739 5.875 ( -3.503 0.000 -3.842) 5.200 5.875 ( 3.503 0.000 -3.842) 5.200 6.351 ( -1.356 0.000 2.612) 2.943 6.351 ( 1.356 0.000 2.612) 2.943 6.368 ( -6.856 0.000 16.872) 18.212 6.368 ( 6.856 0.000 16.872) 18.212 6.720 ( -0.544 0.000 3.221) 3.267 6.720 ( 0.544 0.000 3.221) 3.267 7.019 ( -1.299 0.000 -2.618) 2.923 7.019 ( 1.299 0.000 -2.618) 2.923 7.132 ( -0.747 0.000 0.437) 0.865 7.132 ( 0.747 0.000 0.437) 0.865 7.411 ( -2.067 0.000 -1.718) 2.688 7.411 ( 2.067 0.000 -1.718) 2.688 10.023 ( -1.174 0.000 0.754) 1.395 10.023 ( 1.174 0.000 0.754) 1.395 10.211 ( -0.455 0.000 -2.294) 2.339 10.211 ( 0.455 0.000 -2.294) 2.339 10.234 ( -1.379 0.000 0.489) 1.463 10.234 ( 1.379 0.000 0.489) 1.463 10.451 ( -2.994 0.000 -4.518) 5.420 10.451 ( 2.994 0.000 -4.518) 5.420 ======================= Grid point 50 (19/60) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( 0.000 7.266 8.359) 11.076 0.394 ( 0.000 12.083 7.124) 14.027 0.645 ( 0.000 13.534 13.131) 18.857 0.809 ( 0.000 -0.083 6.601) 6.602 0.846 ( 0.000 1.003 5.790) 5.876 0.856 ( 0.000 -3.804 -3.700) 5.307 0.974 ( 0.000 -6.458 -0.277) 6.464 1.075 ( 0.000 4.067 -4.987) 6.435 1.101 ( 0.000 2.029 -2.028) 2.869 1.218 ( 0.000 1.638 -3.338) 3.718 1.227 ( 0.000 -0.164 -1.078) 1.090 1.261 ( 0.000 -3.186 2.907) 4.313 1.375 ( 0.000 -2.346 -4.267) 4.869 1.446 ( 0.000 4.555 3.540) 5.769 1.471 ( 0.000 -3.470 1.576) 3.811 1.604 ( 0.000 -2.348 -0.063) 2.349 1.616 ( 0.000 1.131 4.281) 4.428 1.697 ( 0.000 -3.639 -4.647) 5.902 1.722 ( 0.000 2.700 -0.107) 2.702 1.781 ( 0.000 4.895 2.984) 5.733 1.858 ( 0.000 -4.468 3.277) 5.541 1.907 ( 0.000 -0.400 -1.924) 1.965 1.919 ( 0.000 -2.464 3.022) 3.899 1.980 ( 0.000 0.711 1.069) 1.284 2.037 ( 0.000 3.300 -1.489) 3.620 2.047 ( 0.000 -1.907 -0.225) 1.920 2.081 ( 0.000 3.280 -1.426) 3.576 2.096 ( 0.000 -3.339 -0.817) 3.438 2.120 ( 0.000 4.756 -0.327) 4.767 2.223 ( 0.000 -2.342 -2.745) 3.609 2.286 ( 0.000 0.058 -0.072) 0.093 2.412 ( 0.000 0.874 1.291) 1.559 2.547 ( 0.000 -2.141 -1.063) 2.391 2.696 ( 0.000 -2.976 -1.681) 3.418 3.251 ( 0.000 -0.598 -6.927) 6.953 3.272 ( 0.000 -0.671 -8.135) 8.162 5.096 ( 0.000 4.099 3.801) 5.590 5.157 ( 0.000 3.559 7.676) 8.460 5.810 ( 0.000 0.712 -2.642) 2.736 6.024 ( 0.000 4.272 -6.846) 8.070 6.170 ( 0.000 -5.755 7.079) 9.123 6.284 ( 0.000 -6.335 3.709) 7.341 6.417 ( 0.000 4.837 3.446) 5.939 6.583 ( 0.000 -5.935 -1.850) 6.217 6.662 ( 0.000 -4.328 0.808) 4.403 6.725 ( 0.000 -1.703 4.236) 4.565 6.922 ( 0.000 -6.828 -2.054) 7.130 7.056 ( 0.000 -6.651 6.969) 9.633 7.171 ( 0.000 2.294 1.052) 2.524 7.225 ( 0.000 -1.397 3.289) 3.573 7.404 ( 0.000 3.574 -1.704) 3.959 7.534 ( 0.000 5.894 -3.140) 6.678 10.001 ( 0.000 0.221 0.807) 0.836 10.060 ( 0.000 0.370 0.895) 0.968 10.184 ( 0.000 -0.898 -1.204) 1.502 10.210 ( 0.000 -0.917 -0.135) 0.927 10.216 ( 0.000 0.992 -0.780) 1.262 10.238 ( 0.000 0.196 -1.142) 1.159 10.382 ( 0.000 5.124 -5.188) 7.292 10.464 ( 0.000 -2.880 -2.120) 3.576 ======================= Grid point 51 (20/60) ======================= q-point: ( 0.25 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 6.922 3.987 6.282) 10.162 0.442 ( 5.174 7.054 8.409) 12.134 0.697 ( -5.356 1.633 4.148) 6.969 0.739 ( -8.746 -1.656 2.960) 9.380 0.787 ( 9.218 11.523 9.399) 17.496 0.927 ( 2.841 -4.318 0.977) 5.260 0.971 ( -0.354 -5.992 0.128) 6.004 1.103 ( 2.719 1.978 -4.042) 5.257 1.114 ( -0.544 1.530 -1.002) 1.908 1.192 ( -2.458 1.989 -2.808) 4.229 1.228 ( 0.012 2.821 -2.211) 3.584 1.274 ( 1.852 -0.320 2.498) 3.126 1.343 ( -3.577 0.973 -2.069) 4.245 1.386 ( -3.358 1.174 0.985) 3.691 1.524 ( 2.891 -0.031 3.407) 4.468 1.596 ( -0.594 -1.783 0.052) 1.880 1.603 ( -0.979 0.279 2.017) 2.259 1.662 ( -2.297 -1.911 -3.646) 4.714 1.769 ( 3.285 -0.442 -0.319) 3.330 1.798 ( 1.573 2.609 2.674) 4.053 1.840 ( -0.695 -2.749 3.579) 4.567 1.892 ( -1.853 -3.671 0.543) 4.148 1.909 ( -0.385 -0.375 1.753) 1.833 1.965 ( -1.958 0.304 1.172) 2.302 2.015 ( 0.358 3.089 -0.220) 3.118 2.056 ( -0.507 1.886 -0.784) 2.104 2.093 ( 0.037 -1.239 -1.110) 1.664 2.108 ( -0.798 3.182 0.141) 3.284 2.150 ( 4.210 -2.813 -1.175) 5.198 2.242 ( 0.051 -2.155 -1.252) 2.493 2.300 ( 2.326 0.712 -0.771) 2.552 2.397 ( -1.639 1.031 0.669) 2.049 2.595 ( 4.378 -4.765 -4.238) 7.736 2.694 ( -0.497 -4.017 -3.005) 5.041 3.257 ( 0.519 -0.465 -7.274) 7.307 3.272 ( -0.085 -0.563 -8.311) 8.331 5.112 ( 1.476 3.568 4.583) 5.993 5.153 ( -0.458 3.358 7.323) 8.069 5.843 ( 3.538 1.739 -3.391) 5.200 5.999 ( -2.807 4.641 -7.164) 8.986 6.178 ( 0.981 -6.191 7.754) 9.970 6.260 ( -2.443 -6.860 5.268) 8.988 6.429 ( 1.463 4.886 4.645) 6.898 6.562 ( -3.328 -1.456 3.043) 4.738 6.659 ( -0.072 -4.523 1.240) 4.690 6.697 ( -2.315 -2.399 4.360) 5.488 6.910 ( -0.930 -7.810 -0.887) 7.915 6.972 ( -5.795 -8.611 7.684) 12.914 7.165 ( -0.222 3.211 0.525) 3.261 7.183 ( -1.167 4.570 -0.049) 4.717 7.465 ( 3.322 4.573 -2.735) 6.279 7.527 ( -0.727 6.102 -3.152) 6.906 10.008 ( 0.711 0.229 0.788) 1.086 10.048 ( -1.130 0.330 0.836) 1.444 10.188 ( 0.473 -0.872 -1.355) 1.680 10.208 ( -0.348 -0.715 -1.306) 1.529 10.229 ( 1.227 1.129 -0.600) 1.772 10.257 ( 0.935 -0.182 -0.178) 0.969 10.396 ( 1.593 2.035 -4.987) 5.617 10.456 ( -0.937 -2.759 -2.454) 3.809 ======================= Grid point 52 (21/60) ======================= q-point: (-0.50 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -6.565 -0.639 2.137) 6.934 0.529 ( 6.565 -0.639 2.137) 6.934 0.578 ( -3.058 2.644 8.055) 9.012 0.578 ( 3.058 2.644 8.055) 9.012 0.959 ( -1.025 -5.308 0.996) 5.497 0.959 ( 1.025 -5.308 0.996) 5.497 0.994 ( -10.650 6.208 3.211) 12.738 0.994 ( 10.650 6.208 3.211) 12.738 1.160 ( -3.092 0.347 -3.368) 4.585 1.160 ( 3.092 0.347 -3.368) 4.585 1.261 ( -4.422 4.542 -1.249) 6.461 1.261 ( 4.422 4.542 -1.249) 6.461 1.328 ( -3.334 1.788 0.599) 3.830 1.328 ( 3.334 1.788 0.599) 3.830 1.567 ( -2.011 0.145 3.446) 3.993 1.567 ( 2.011 0.145 3.446) 3.993 1.620 ( -2.161 -2.321 -2.957) 4.336 1.620 ( 2.161 -2.321 -2.957) 4.336 1.813 ( -0.725 -0.619 1.865) 2.094 1.813 ( 0.725 -0.619 1.865) 2.094 1.852 ( -2.099 -2.508 1.415) 3.563 1.852 ( 2.099 -2.508 1.415) 3.563 1.920 ( -2.093 -0.462 1.766) 2.777 1.920 ( 2.093 -0.462 1.766) 2.777 2.038 ( -1.489 2.812 -0.338) 3.200 2.038 ( 1.489 2.812 -0.338) 3.200 2.095 ( -0.388 0.805 -0.712) 1.142 2.095 ( 0.388 0.805 -0.712) 1.142 2.214 ( -2.688 -2.757 0.304) 3.863 2.214 ( 2.688 -2.757 0.304) 3.863 2.354 ( -2.951 1.080 -0.512) 3.184 2.354 ( 2.951 1.080 -0.512) 3.184 2.666 ( -2.819 -5.786 -5.243) 8.301 2.666 ( 2.819 -5.786 -5.243) 8.301 3.267 ( -0.491 -0.386 -8.020) 8.045 3.267 ( 0.491 -0.386 -8.020) 8.045 5.138 ( -1.197 3.166 6.203) 7.066 5.138 ( 1.197 3.166 6.203) 7.066 5.925 ( -4.928 3.934 -5.738) 8.526 5.925 ( 4.928 3.934 -5.738) 8.526 6.210 ( -2.522 -7.002 8.089) 10.992 6.210 ( 2.522 -7.002 8.089) 10.992 6.478 ( -4.157 4.293 7.564) 9.640 6.478 ( 4.157 4.293 7.564) 9.640 6.668 ( -0.998 -4.781 1.257) 5.043 6.668 ( 0.998 -4.781 1.257) 5.043 6.912 ( -1.423 -8.195 1.702) 8.490 6.912 ( 1.423 -8.195 1.702) 8.490 7.170 ( -0.521 4.266 -0.113) 4.299 7.170 ( 0.521 4.266 -0.113) 4.299 7.507 ( -1.580 6.208 -3.159) 7.143 7.507 ( 1.580 6.208 -3.159) 7.143 10.025 ( -1.209 0.268 0.780) 1.463 10.025 ( 1.209 0.268 0.780) 1.463 10.198 ( -0.591 -0.773 -1.529) 1.812 10.198 ( 0.591 -0.773 -1.529) 1.812 10.253 ( -1.132 1.053 -0.238) 1.564 10.253 ( 1.132 1.053 -0.238) 1.564 10.430 ( -1.820 -1.804 -3.554) 4.382 10.430 ( 1.820 -1.804 -3.554) 4.382 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 0.000 10.398 2.997) 10.821 0.635 ( 0.000 9.769 4.558) 10.780 0.778 ( 0.000 -0.643 2.051) 2.149 0.792 ( 0.000 -1.044 -1.403) 1.749 0.844 ( 0.000 -6.109 -0.313) 6.117 0.885 ( 0.000 3.513 5.214) 6.287 0.961 ( 0.000 14.268 8.316) 16.514 1.024 ( 0.000 -5.819 0.248) 5.825 1.162 ( 0.000 4.092 -4.163) 5.837 1.175 ( 0.000 -4.666 -0.958) 4.763 1.269 ( 0.000 5.008 -3.499) 6.110 1.322 ( 0.000 -2.116 -4.400) 4.883 1.335 ( 0.000 5.891 -2.028) 6.231 1.407 ( 0.000 -3.913 -0.280) 3.923 1.529 ( 0.000 -5.595 -0.800) 5.652 1.550 ( 0.000 5.121 1.922) 5.470 1.614 ( 0.000 -3.896 -1.894) 4.332 1.652 ( 0.000 2.198 2.781) 3.544 1.757 ( 0.000 1.052 1.337) 1.701 1.757 ( 0.000 -4.923 6.987) 8.547 1.838 ( 0.000 -3.911 1.725) 4.275 1.883 ( 0.000 2.200 2.385) 3.245 1.891 ( 0.000 -2.371 0.218) 2.381 1.971 ( 0.000 -4.990 -0.207) 4.994 2.005 ( 0.000 -4.236 0.943) 4.340 2.008 ( 0.000 1.652 0.430) 1.707 2.088 ( 0.000 2.155 -0.954) 2.357 2.134 ( 0.000 2.001 -0.583) 2.084 2.180 ( 0.000 1.218 0.527) 1.327 2.186 ( 0.000 -1.242 -3.436) 3.654 2.275 ( 0.000 -1.446 -0.270) 1.470 2.429 ( 0.000 0.740 2.105) 2.232 2.503 ( 0.000 -1.837 0.424) 1.886 2.617 ( 0.000 -4.689 -1.599) 4.954 3.230 ( 0.000 -1.442 -8.165) 8.291 3.258 ( 0.000 -0.760 -7.000) 7.042 5.208 ( 0.000 6.868 3.117) 7.542 5.256 ( 0.000 6.247 6.420) 8.958 5.822 ( 0.000 0.706 -2.062) 2.179 6.027 ( 0.000 -3.324 3.862) 5.096 6.069 ( 0.000 -4.762 6.167) 7.791 6.240 ( 0.000 1.661 -11.689) 11.806 6.461 ( 0.000 -5.781 -2.632) 6.352 6.505 ( 0.000 3.946 1.514) 4.227 6.552 ( 0.000 -6.088 -2.102) 6.441 6.651 ( 0.000 -5.396 4.426) 6.979 6.790 ( 0.000 -6.272 1.410) 6.429 6.887 ( 0.000 -6.971 10.075) 12.252 7.254 ( 0.000 4.905 0.024) 4.905 7.297 ( 0.000 4.516 -0.092) 4.517 7.485 ( 0.000 4.258 -1.895) 4.660 7.636 ( 0.000 3.868 -3.643) 5.314 10.008 ( 0.000 0.542 0.843) 1.003 10.070 ( 0.000 0.723 0.949) 1.193 10.168 ( 0.000 -0.484 -1.036) 1.143 10.185 ( 0.000 -1.625 0.009) 1.625 10.233 ( 0.000 0.559 -1.060) 1.199 10.244 ( 0.000 0.353 -0.802) 0.876 10.389 ( 0.000 -4.381 -1.423) 4.606 10.426 ( 0.000 0.294 -3.214) 3.228 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.25 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 2.254 9.622 2.076) 10.098 0.625 ( 0.068 9.914 5.197) 11.194 0.688 ( -6.708 -0.463 2.336) 7.118 0.751 ( -4.459 2.120 1.326) 5.113 0.850 ( 0.425 -5.583 0.096) 5.600 0.870 ( -0.633 -0.297 3.626) 3.693 1.028 ( 5.534 10.600 5.015) 12.967 1.085 ( 3.458 -2.631 1.139) 4.492 1.168 ( 0.855 3.426 -3.276) 4.816 1.180 ( 0.131 -2.218 -2.209) 3.133 1.291 ( 2.093 3.744 -2.268) 4.851 1.315 ( 0.358 -0.694 -3.899) 3.977 1.343 ( -0.041 2.701 -1.697) 3.190 1.396 ( -1.399 -0.875 -0.533) 1.734 1.527 ( 0.090 -4.376 -1.990) 4.808 1.554 ( 0.291 1.324 1.137) 1.769 1.608 ( -0.540 -1.355 -1.643) 2.197 1.640 ( -1.315 1.718 2.430) 3.254 1.744 ( -0.647 -1.933 3.698) 4.223 1.748 ( -0.626 -2.776 5.462) 6.159 1.809 ( -1.900 -3.555 1.057) 4.167 1.850 ( -2.640 -2.493 2.594) 4.463 1.916 ( 1.694 1.900 0.835) 2.679 1.975 ( -0.529 -1.858 0.629) 2.032 2.013 ( 1.446 -4.179 0.415) 4.441 2.040 ( 1.781 -1.697 0.066) 2.461 2.078 ( 0.126 2.268 -0.954) 2.464 2.142 ( 0.615 1.250 0.015) 1.393 2.158 ( -1.079 1.488 1.170) 2.179 2.209 ( -0.181 -1.089 -2.827) 3.035 2.300 ( 3.292 -0.774 -0.045) 3.382 2.418 ( -1.494 0.930 1.133) 2.093 2.512 ( 1.378 -3.165 -0.367) 3.471 2.600 ( -1.851 -5.003 -1.517) 5.545 3.237 ( 0.687 -1.389 -8.172) 8.317 3.257 ( -0.180 -0.908 -7.354) 7.412 5.217 ( 0.857 6.642 3.702) 7.652 5.250 ( -0.640 6.223 6.004) 8.671 5.875 ( 5.445 1.401 -3.376) 6.558 6.024 ( -0.615 -2.554 2.434) 3.581 6.069 ( 0.330 -4.823 6.257) 7.907 6.197 ( -4.599 0.776 -8.602) 9.785 6.480 ( 1.703 -4.917 -2.601) 5.818 6.514 ( 0.799 2.734 1.463) 3.202 6.550 ( 0.055 -5.431 -1.434) 5.618 6.641 ( -1.787 -3.759 5.096) 6.579 6.764 ( -2.253 -6.342 2.754) 7.272 6.817 ( -4.880 -6.410 8.454) 11.678 7.259 ( 0.488 5.033 -0.054) 5.057 7.285 ( -0.881 5.031 -0.079) 5.108 7.540 ( 4.275 3.290 -2.620) 5.997 7.630 ( -0.781 3.772 -3.597) 5.270 10.015 ( 0.733 0.561 0.838) 1.247 10.058 ( -1.210 0.662 0.892) 1.643 10.174 ( 0.504 -0.514 -1.075) 1.294 10.188 ( 0.109 -1.353 -0.547) 1.464 10.243 ( 0.988 0.122 -0.963) 1.385 10.253 ( 0.869 0.007 -0.369) 0.944 10.386 ( -0.195 -3.808 -1.657) 4.158 10.413 ( -1.248 -0.195 -2.843) 3.111 ======================= Grid point 57 (24/60) ======================= q-point: (-0.50 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -4.723 5.554 1.883) 7.530 0.572 ( 4.723 5.554 1.883) 7.530 0.671 ( -3.950 5.815 4.284) 8.232 0.671 ( 3.950 5.815 4.284) 8.232 0.859 ( -0.581 -3.806 1.510) 4.135 0.859 ( 0.581 -3.806 1.510) 4.135 1.102 ( -1.712 3.003 1.933) 3.961 1.102 ( 1.712 3.003 1.933) 3.961 1.180 ( -0.179 2.082 -2.458) 3.226 1.180 ( 0.179 2.082 -2.458) 3.226 1.326 ( -1.633 -0.473 -1.783) 2.463 1.326 ( 1.633 -0.473 -1.783) 2.463 1.352 ( -3.040 2.429 -1.619) 4.215 1.352 ( 3.040 2.429 -1.619) 4.215 1.544 ( -1.484 -2.644 -2.394) 3.863 1.544 ( 1.484 -2.644 -2.394) 3.863 1.612 ( -1.305 1.648 1.415) 2.534 1.612 ( 1.305 1.648 1.415) 2.534 1.742 ( -0.180 -3.342 4.968) 5.990 1.742 ( 0.180 -3.342 4.968) 5.990 1.805 ( -1.676 -3.062 1.794) 3.925 1.805 ( 1.676 -3.062 1.794) 3.925 1.950 ( -1.933 0.899 0.799) 2.277 1.950 ( 1.933 0.899 0.799) 2.277 2.038 ( -1.070 -2.887 -0.226) 3.087 2.038 ( 1.070 -2.887 -0.226) 3.087 2.115 ( -2.544 1.550 0.938) 3.124 2.115 ( 2.544 1.550 0.938) 3.124 2.179 ( -2.253 -0.260 -0.444) 2.311 2.179 ( 2.253 -0.260 -0.444) 2.311 2.370 ( -3.604 0.384 -0.262) 3.634 2.370 ( 3.604 0.384 -0.262) 3.634 2.555 ( -2.860 -4.869 -1.270) 5.788 2.555 ( 2.860 -4.869 -1.270) 5.788 3.250 ( -0.608 -1.194 -7.939) 8.051 3.250 ( 0.608 -1.194 -7.939) 8.051 5.235 ( -1.014 6.312 4.941) 8.080 5.235 ( 1.014 6.312 4.941) 8.080 5.983 ( -4.703 0.913 -3.719) 6.065 5.983 ( 4.703 0.913 -3.719) 6.065 6.102 ( -4.079 -3.222 2.575) 5.800 6.102 ( 4.079 -3.222 2.575) 5.800 6.510 ( -1.336 -2.883 -1.613) 3.564 6.510 ( 1.336 -2.883 -1.613) 3.564 6.581 ( -3.447 -1.235 3.773) 5.258 6.581 ( 3.447 -1.235 3.773) 5.258 6.758 ( -1.795 -7.073 4.766) 8.716 6.758 ( 1.795 -7.073 4.766) 8.716 7.270 ( -0.721 5.137 -0.073) 5.187 7.270 ( 0.721 5.137 -0.073) 5.187 7.603 ( -2.372 3.411 -3.350) 5.337 7.603 ( 2.372 3.411 -3.350) 5.337 10.034 ( -1.263 0.600 0.841) 1.632 10.034 ( 1.263 0.600 0.841) 1.632 10.184 ( -0.509 -0.753 -1.048) 1.387 10.184 ( 0.509 -0.753 -1.048) 1.387 10.260 ( -0.429 -0.415 -0.447) 0.746 10.260 ( 0.429 -0.415 -0.447) 0.746 10.391 ( -0.900 -1.907 -2.195) 3.044 10.391 ( 0.900 -1.907 -2.195) 3.044 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 0.000 -2.749 -0.291) 2.765 0.698 ( 0.000 9.882 -1.733) 10.033 0.740 ( 0.000 -3.909 0.651) 3.963 0.790 ( 0.000 2.894 3.797) 4.774 0.894 ( 0.000 5.747 1.039) 5.840 0.959 ( 0.000 3.800 2.802) 4.721 0.971 ( 0.000 -0.154 1.477) 1.485 1.121 ( 0.000 2.447 -1.453) 2.846 1.171 ( 0.000 3.591 -1.685) 3.967 1.250 ( 0.000 3.321 -1.682) 3.723 1.301 ( 0.000 -2.638 -2.599) 3.703 1.322 ( 0.000 0.560 -0.005) 0.560 1.363 ( 0.000 3.901 -5.219) 6.515 1.394 ( 0.000 -6.190 0.242) 6.194 1.430 ( 0.000 2.449 -2.591) 3.565 1.548 ( 0.000 -3.301 -1.297) 3.546 1.621 ( 0.000 0.468 -0.962) 1.069 1.675 ( 0.000 -3.235 8.700) 9.282 1.680 ( 0.000 0.211 -0.088) 0.229 1.752 ( 0.000 -2.925 3.119) 4.276 1.761 ( 0.000 -3.631 3.448) 5.008 1.794 ( 0.000 -1.996 4.912) 5.302 1.844 ( 0.000 -1.849 -0.744) 1.993 1.881 ( 0.000 -6.763 2.020) 7.058 2.011 ( 0.000 2.636 0.610) 2.706 2.034 ( 0.000 0.719 0.788) 1.066 2.125 ( 0.000 1.466 -0.723) 1.635 2.161 ( 0.000 0.672 0.222) 0.708 2.172 ( 0.000 -0.218 -2.879) 2.887 2.185 ( 0.000 -0.185 1.732) 1.741 2.232 ( 0.000 -2.444 -2.366) 3.402 2.438 ( 0.000 0.184 2.366) 2.373 2.481 ( 0.000 -0.507 2.840) 2.885 2.524 ( 0.000 -4.370 -0.551) 4.405 3.201 ( 0.000 -1.308 -8.168) 8.272 3.242 ( 0.000 -0.720 -6.268) 6.309 5.351 ( 0.000 6.984 1.689) 7.185 5.391 ( 0.000 6.787 4.722) 8.268 5.840 ( 0.000 1.081 -2.414) 2.645 5.960 ( 0.000 -2.859 5.283) 6.007 5.987 ( 0.000 -3.255 5.247) 6.175 6.274 ( 0.000 1.062 -14.722) 14.760 6.368 ( 0.000 -3.278 -2.102) 3.894 6.438 ( 0.000 -5.090 -2.354) 5.608 6.527 ( 0.000 -6.659 3.607) 7.573 6.571 ( 0.000 2.643 -0.230) 2.653 6.677 ( 0.000 -4.825 1.357) 5.012 6.791 ( 0.000 -2.898 7.517) 8.057 7.339 ( 0.000 3.327 0.216) 3.334 7.375 ( 0.000 3.091 -0.094) 3.093 7.560 ( 0.000 3.084 -1.866) 3.604 7.685 ( 0.000 1.270 -3.147) 3.394 10.023 ( 0.000 0.929 0.868) 1.272 10.092 ( 0.000 1.492 0.970) 1.780 10.149 ( 0.000 -1.887 0.138) 1.892 10.168 ( 0.000 0.431 -0.798) 0.907 10.238 ( 0.000 -0.016 -1.206) 1.206 10.247 ( 0.000 -0.063 -0.814) 0.816 10.299 ( 0.000 -4.489 -0.772) 4.555 10.419 ( 0.000 -0.699 -2.001) 2.120 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 0.190 -0.979 -0.705) 1.221 0.696 ( -0.626 3.790 0.065) 3.842 0.766 ( 2.132 1.498 0.222) 2.615 0.769 ( -0.487 6.306 1.606) 6.525 0.879 ( -1.562 6.951 2.966) 7.717 0.933 ( -2.393 5.941 1.861) 6.670 1.033 ( 4.798 -1.797 1.877) 5.456 1.108 ( -0.491 -0.193 -0.944) 1.081 1.191 ( 1.672 3.326 -2.374) 4.415 1.258 ( 0.703 1.733 -1.944) 2.697 1.282 ( -2.043 -2.517 -5.442) 6.334 1.318 ( -1.148 -1.776 -0.612) 2.202 1.369 ( 0.196 -0.326 0.845) 0.926 1.379 ( 0.121 1.144 -2.722) 2.955 1.460 ( 2.432 -1.150 -1.394) 3.030 1.544 ( -0.817 -0.668 -1.734) 2.030 1.617 ( -0.128 -0.052 -0.138) 0.195 1.652 ( -1.116 -2.405 2.720) 3.798 1.687 ( -0.112 -0.670 3.705) 3.766 1.727 ( -1.999 -3.103 3.685) 5.216 1.767 ( 0.036 -1.726 3.978) 4.337 1.781 ( -1.222 -1.228 4.971) 5.264 1.852 ( 1.306 -3.961 -0.873) 4.261 1.891 ( 0.294 -6.152 1.355) 6.307 2.009 ( 0.197 1.660 0.333) 1.705 2.034 ( -0.337 0.260 0.712) 0.830 2.118 ( 0.382 1.667 -0.358) 1.747 2.164 ( 0.076 0.815 0.644) 1.041 2.171 ( -0.560 -0.023 1.471) 1.574 2.194 ( 0.258 -0.418 -3.546) 3.580 2.273 ( 4.370 -1.687 0.259) 4.692 2.428 ( -1.702 0.004 1.502) 2.270 2.470 ( -0.468 -1.387 1.587) 2.159 2.511 ( -1.248 -3.501 0.277) 3.727 3.209 ( 0.799 -1.272 -7.909) 8.050 3.238 ( -0.474 -0.861 -6.576) 6.649 5.358 ( 0.637 6.957 2.197) 7.324 5.385 ( -0.580 6.827 4.309) 8.094 5.899 ( 5.601 1.014 -3.103) 6.483 5.963 ( 0.192 -2.741 4.943) 5.655 5.990 ( 0.857 -3.089 4.575) 5.586 6.222 ( -5.665 0.884 -12.491) 13.744 6.388 ( 1.814 -3.562 -2.861) 4.915 6.435 ( -0.438 -4.881 -2.603) 5.549 6.537 ( 1.226 -5.947 3.408) 6.963 6.579 ( 0.658 2.144 0.622) 2.328 6.654 ( -1.996 -4.840 1.989) 5.601 6.734 ( -5.087 -1.975 7.074) 8.934 7.345 ( 0.603 3.381 0.149) 3.437 7.369 ( -0.532 3.300 -0.043) 3.343 7.596 ( 3.168 2.256 -2.258) 4.497 7.678 ( -0.877 1.293 -3.079) 3.453 10.031 ( 0.831 1.031 0.856) 1.577 10.077 ( -1.343 1.340 0.886) 2.094 10.154 ( 0.545 -1.926 -0.057) 2.003 10.169 ( -0.021 -0.091 -0.710) 0.716 10.242 ( 0.194 -0.129 -1.042) 1.067 10.248 ( 0.017 -0.677 -0.622) 0.920 10.314 ( 1.753 -3.128 -1.079) 3.745 10.401 ( -1.835 -0.827 -1.857) 2.739 ======================= Grid point 62 (27/60) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -1.139 0.931 -0.129) 1.477 0.676 ( 1.139 0.931 -0.129) 1.477 0.781 ( -1.127 6.762 0.893) 6.913 0.781 ( 1.127 6.762 0.893) 6.913 0.881 ( -2.518 7.186 2.141) 7.910 0.881 ( 2.518 7.186 2.141) 7.910 1.096 ( -1.732 -2.267 0.969) 3.013 1.096 ( 1.732 -2.267 0.969) 3.013 1.233 ( -2.829 1.420 -4.162) 5.229 1.233 ( 2.829 1.420 -4.162) 5.229 1.282 ( -1.890 -2.284 -2.177) 3.678 1.282 ( 1.890 -2.284 -2.177) 3.678 1.378 ( -0.486 -0.690 -0.057) 0.846 1.378 ( 0.486 -0.690 -0.057) 0.846 1.509 ( -2.712 -0.113 -1.296) 3.008 1.509 ( 2.712 -0.113 -1.296) 3.008 1.631 ( -1.350 -0.367 -0.262) 1.424 1.631 ( 1.350 -0.367 -0.262) 1.424 1.693 ( -1.210 -2.900 4.662) 5.623 1.693 ( 1.210 -2.900 4.662) 5.623 1.767 ( -0.209 0.025 4.430) 4.435 1.767 ( 0.209 0.025 4.430) 4.435 1.880 ( -1.380 -5.738 -0.053) 5.902 1.880 ( 1.380 -5.738 -0.053) 5.902 2.021 ( -0.876 0.523 0.346) 1.077 2.021 ( 0.876 0.523 0.346) 1.077 2.142 ( -1.731 1.055 0.618) 2.119 2.142 ( 1.731 1.055 0.618) 2.119 2.183 ( -1.076 0.146 -0.118) 1.092 2.183 ( 1.076 0.146 -0.118) 1.092 2.363 ( -4.884 -1.095 0.292) 5.014 2.363 ( 4.884 -1.095 0.292) 5.014 2.484 ( -1.519 -2.171 0.809) 2.771 2.484 ( 1.519 -2.171 0.809) 2.771 3.225 ( -0.891 -1.118 -7.267) 7.406 3.225 ( 0.891 -1.118 -7.267) 7.406 5.372 ( -0.840 6.899 3.305) 7.696 5.372 ( 0.840 6.899 3.305) 7.696 5.959 ( -0.807 -2.113 3.515) 4.180 5.959 ( 0.807 -2.113 3.515) 4.180 6.082 ( -8.610 0.167 -6.236) 10.633 6.082 ( 8.610 0.167 -6.236) 10.633 6.419 ( -1.351 -4.272 -3.103) 5.450 6.419 ( 1.351 -4.272 -3.103) 5.450 6.570 ( -1.946 -2.869 2.240) 4.128 6.570 ( 1.946 -2.869 2.240) 4.128 6.653 ( -2.832 -1.941 4.511) 5.669 6.653 ( 2.832 -1.941 4.511) 5.669 7.357 ( -0.715 3.422 0.046) 3.496 7.357 ( 0.715 3.422 0.046) 3.496 7.650 ( -2.324 1.492 -2.806) 3.937 7.650 ( 2.324 1.492 -2.806) 3.937 10.051 ( -1.347 1.193 0.843) 1.987 10.051 ( 1.347 1.193 0.843) 1.987 10.164 ( -0.458 -1.333 -0.450) 1.480 10.164 ( 0.458 -1.333 -0.450) 1.480 10.245 ( -0.224 -0.676 -0.695) 0.995 10.245 ( 0.224 -0.676 -0.695) 0.995 10.358 ( -2.714 -1.439 -1.516) 3.426 10.358 ( 2.714 -1.439 -1.516) 3.426 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.000 -1.251 -1.955) 2.321 0.690 ( 0.000 -1.145 1.621) 1.985 0.830 ( 0.000 3.911 -2.005) 4.395 0.907 ( 0.000 -1.956 1.585) 2.518 0.933 ( 0.000 9.697 1.180) 9.769 1.029 ( 0.000 3.264 0.032) 3.264 1.045 ( 0.000 6.811 0.509) 6.830 1.122 ( 0.000 -8.343 -3.702) 9.128 1.132 ( 0.000 -6.553 1.731) 6.778 1.261 ( 0.000 6.989 -3.425) 7.783 1.298 ( 0.000 1.280 -0.758) 1.487 1.354 ( 0.000 -6.749 -4.572) 8.152 1.369 ( 0.000 1.476 -2.282) 2.718 1.391 ( 0.000 0.373 -0.732) 0.821 1.427 ( 0.000 0.506 -2.952) 2.995 1.505 ( 0.000 0.413 0.274) 0.496 1.593 ( 0.000 -0.011 -0.892) 0.892 1.614 ( 0.000 -2.864 5.153) 5.896 1.689 ( 0.000 0.049 -0.764) 0.766 1.716 ( 0.000 -0.665 7.677) 7.705 1.728 ( 0.000 -0.656 2.882) 2.956 1.742 ( 0.000 -4.636 3.809) 6.000 1.802 ( 0.000 0.446 5.633) 5.650 1.824 ( 0.000 -0.311 -1.151) 1.192 2.034 ( 0.000 -0.407 -0.096) 0.419 2.043 ( 0.000 0.719 0.169) 0.739 2.147 ( 0.000 0.864 0.810) 1.184 2.163 ( 0.000 -0.215 1.128) 1.148 2.174 ( 0.000 0.421 -2.284) 2.323 2.185 ( 0.000 0.101 2.020) 2.023 2.192 ( 0.000 -1.436 -3.478) 3.763 2.439 ( 0.000 -0.074 1.688) 1.690 2.458 ( 0.000 -1.877 0.996) 2.125 2.476 ( 0.000 -0.110 4.116) 4.117 3.182 ( 0.000 -0.517 -7.952) 7.969 3.232 ( 0.000 -0.259 -5.642) 5.648 5.459 ( 0.000 3.156 0.142) 3.159 5.499 ( 0.000 3.293 3.255) 4.630 5.861 ( 0.000 0.802 -2.870) 2.980 5.920 ( 0.000 -1.116 5.267) 5.384 5.941 ( 0.000 -1.257 4.236) 4.418 6.282 ( 0.000 0.026 -14.305) 14.305 6.341 ( 0.000 0.621 -0.627) 0.882 6.361 ( 0.000 -2.185 -0.853) 2.345 6.406 ( 0.000 -4.950 2.420) 5.510 6.607 ( 0.000 0.937 -1.071) 1.423 6.609 ( 0.000 -1.795 -0.148) 1.802 6.759 ( 0.000 -0.606 5.654) 5.686 7.383 ( 0.000 1.108 0.442) 1.193 7.417 ( 0.000 1.084 -0.062) 1.085 7.603 ( 0.000 1.090 -1.762) 2.072 7.697 ( 0.000 0.175 -2.670) 2.675 10.042 ( 0.000 0.800 0.941) 1.235 10.115 ( 0.000 -1.148 0.116) 1.154 10.130 ( 0.000 2.048 0.990) 2.275 10.181 ( 0.000 0.651 -0.667) 0.932 10.219 ( 0.000 -3.202 -0.432) 3.231 10.232 ( 0.000 -0.468 -1.211) 1.298 10.245 ( 0.000 -0.059 -0.997) 0.999 10.407 ( 0.000 -0.337 -1.606) 1.641 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.25 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 1.036 -1.136 -1.420) 2.093 0.679 ( -1.067 -1.153 1.179) 1.965 0.866 ( 2.973 2.404 -2.806) 4.742 0.926 ( 0.474 6.066 -1.181) 6.198 0.970 ( 5.418 4.766 3.137) 7.868 1.025 ( -0.420 3.886 0.207) 3.914 1.038 ( -0.669 3.792 0.480) 3.880 1.128 ( 0.665 -7.415 -4.330) 8.613 1.144 ( 0.372 -4.998 0.118) 5.013 1.243 ( -0.135 2.680 -0.539) 2.737 1.275 ( -4.195 4.902 -1.050) 6.537 1.339 ( -0.420 0.352 -3.103) 3.151 1.357 ( -1.868 -1.441 -0.369) 2.388 1.387 ( 0.189 -0.419 -1.309) 1.387 1.453 ( 2.041 -1.644 -3.062) 4.030 1.494 ( -0.527 -2.837 -1.436) 3.223 1.594 ( -1.248 -2.123 3.507) 4.285 1.609 ( 0.633 0.514 0.759) 1.114 1.655 ( -3.136 -2.965 4.960) 6.575 1.681 ( -0.955 -0.331 -0.638) 1.195 1.744 ( 1.010 -0.301 4.973) 5.083 1.772 ( 0.780 -2.052 4.818) 5.294 1.807 ( 0.604 0.074 3.252) 3.309 1.822 ( -0.204 -0.421 -0.792) 0.919 2.023 ( -0.371 -0.063 0.026) 0.378 2.041 ( -0.586 0.350 0.348) 0.766 2.144 ( 0.330 0.779 0.460) 0.963 2.163 ( 0.408 -0.323 0.329) 0.616 2.177 ( -0.449 0.411 1.305) 1.440 2.191 ( 0.207 -0.057 -2.877) 2.885 2.245 ( 4.819 -0.911 1.006) 5.006 2.415 ( -2.972 -0.960 0.937) 3.261 2.448 ( 0.004 -0.521 1.970) 2.038 2.476 ( -0.362 -0.447 2.683) 2.743 3.190 ( 0.856 -0.512 -7.569) 7.634 3.226 ( -0.689 -0.329 -5.947) 5.996 5.466 ( 0.683 3.200 0.677) 3.341 5.494 ( -0.547 3.297 2.869) 4.405 5.916 ( 2.845 0.539 0.893) 3.031 5.926 ( 1.729 -0.544 2.530) 3.112 5.944 ( 2.160 -1.601 1.717) 3.190 6.229 ( -5.800 -0.010 -12.560) 13.835 6.351 ( 0.765 -0.284 -1.208) 1.458 6.362 ( 0.104 -1.830 -0.883) 2.035 6.427 ( 2.523 -4.218 2.426) 5.481 6.574 ( -3.529 -1.812 0.237) 3.974 6.618 ( 1.122 0.647 -0.229) 1.315 6.717 ( -3.811 -0.187 4.840) 6.163 7.390 ( 0.666 1.131 0.338) 1.355 7.413 ( -0.384 1.124 -0.008) 1.187 7.627 ( 2.271 0.803 -2.009) 3.137 7.691 ( -0.743 0.224 -2.611) 2.724 10.054 ( 1.177 1.037 0.900) 1.809 10.111 ( -1.593 1.985 0.757) 2.655 10.118 ( 0.304 -1.394 0.097) 1.430 10.156 ( -1.657 -1.496 -0.171) 2.240 10.233 ( 0.436 -0.101 -0.981) 1.078 10.243 ( -0.085 0.045 -1.013) 1.017 10.269 ( 3.557 -1.403 -0.943) 3.938 10.388 ( -2.089 -0.408 -1.516) 2.613 ======================= Grid point 67 (30/60) ======================= q-point: (-0.50 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -1.499 -1.102 -0.089) 1.862 0.655 ( 1.499 -1.102 -0.089) 1.862 0.914 ( -1.905 4.065 -2.435) 5.107 0.914 ( 1.905 4.065 -2.435) 5.107 1.020 ( -0.221 4.242 0.445) 4.271 1.020 ( 0.221 4.242 0.445) 4.271 1.095 ( -5.325 2.046 -0.810) 5.761 1.095 ( 5.325 2.046 -0.810) 5.761 1.174 ( -4.490 -2.848 -1.019) 5.414 1.174 ( 4.490 -2.848 -1.019) 5.414 1.287 ( -3.647 0.297 0.710) 3.727 1.287 ( 3.647 0.297 0.710) 3.727 1.369 ( -1.662 1.042 -1.923) 2.747 1.369 ( 1.662 1.042 -1.923) 2.747 1.487 ( -1.048 -4.386 -2.731) 5.272 1.487 ( 1.048 -4.386 -2.731) 5.272 1.587 ( -1.215 -1.272 4.312) 4.657 1.587 ( 1.215 -1.272 4.312) 4.657 1.655 ( -1.679 -0.754 -0.203) 1.852 1.655 ( 1.679 -0.754 -0.203) 1.852 1.765 ( -1.117 -0.696 5.460) 5.616 1.765 ( 1.117 -0.696 5.460) 5.616 1.817 ( -0.392 -0.469 0.185) 0.639 1.817 ( 0.392 -0.469 0.185) 0.639 2.027 ( -0.692 0.116 0.245) 0.743 2.027 ( 0.692 0.116 0.245) 0.743 2.162 ( -1.119 1.004 0.507) 1.586 2.162 ( 1.119 1.004 0.507) 1.586 2.179 ( -1.057 -0.582 0.395) 1.270 2.179 ( 1.057 -0.582 0.395) 1.270 2.339 ( -5.064 -0.881 0.761) 5.196 2.339 ( 5.064 -0.881 0.761) 5.196 2.461 ( -1.086 -0.406 1.759) 2.107 2.461 ( 1.086 -0.406 1.759) 2.107 3.209 ( -1.080 -0.452 -6.721) 6.822 3.209 ( 1.080 -0.452 -6.721) 6.822 5.481 ( -0.857 3.271 1.849) 3.853 5.481 ( 0.857 3.271 1.849) 3.853 5.928 ( -0.419 -0.841 4.602) 4.697 5.928 ( 0.419 -0.841 4.602) 4.697 6.085 ( -9.223 0.023 -8.119) 12.287 6.085 ( 9.223 0.023 -8.119) 12.287 6.361 ( -0.287 -1.484 -1.123) 1.883 6.361 ( 0.287 -1.484 -1.123) 1.883 6.495 ( -4.571 -2.661 1.427) 5.479 6.495 ( 4.571 -2.661 1.427) 5.479 6.653 ( -2.797 0.415 2.112) 3.530 6.653 ( 2.797 0.415 2.112) 3.530 7.403 ( -0.706 1.152 0.141) 1.358 7.403 ( 0.706 1.152 0.141) 1.358 7.668 ( -1.861 0.415 -2.395) 3.061 7.668 ( 1.861 0.415 -2.395) 3.061 10.081 ( -1.669 1.623 0.801) 2.462 10.081 ( 1.669 1.623 0.801) 2.462 10.130 ( -1.068 -1.847 -0.011) 2.134 10.130 ( 1.068 -1.847 -0.011) 2.134 10.240 ( -0.274 0.026 -0.954) 0.993 10.240 ( 0.274 0.026 -0.954) 0.993 10.335 ( -3.491 -0.678 -1.274) 3.778 10.335 ( 3.491 -0.678 -1.274) 3.778 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.401 ( 0.000 0.000 4.497) 4.497 0.454 ( 0.000 0.000 10.252) 10.252 0.835 ( 0.000 0.000 1.333) 1.333 0.868 ( 0.000 0.000 -5.931) 5.931 0.878 ( 0.000 0.000 15.468) 15.468 0.941 ( 0.000 0.000 2.026) 2.026 0.992 ( 0.000 0.000 7.473) 7.473 1.063 ( 0.000 0.000 -6.255) 6.255 1.069 ( 0.000 0.000 1.096) 1.096 1.081 ( 0.000 0.000 1.276) 1.276 1.209 ( 0.000 0.000 -1.629) 1.629 1.306 ( 0.000 0.000 -5.127) 5.127 1.404 ( 0.000 0.000 4.048) 4.048 1.486 ( 0.000 0.000 3.698) 3.698 1.558 ( 0.000 0.000 2.123) 2.123 1.615 ( 0.000 0.000 -2.386) 2.386 1.638 ( 0.000 0.000 -2.673) 2.673 1.676 ( 0.000 0.000 0.479) 0.479 1.720 ( 0.000 0.000 5.350) 5.350 1.788 ( 0.000 0.000 2.905) 2.905 1.877 ( 0.000 0.000 1.956) 1.956 1.916 ( 0.000 0.000 -2.091) 2.091 1.970 ( 0.000 0.000 -2.116) 2.116 1.978 ( 0.000 0.000 2.349) 2.349 1.987 ( 0.000 0.000 -1.185) 1.185 2.046 ( 0.000 0.000 -1.374) 1.374 2.086 ( 0.000 0.000 3.813) 3.813 2.109 ( 0.000 0.000 -0.991) 0.991 2.133 ( 0.000 0.000 8.695) 8.695 2.174 ( 0.000 0.000 -5.366) 5.366 2.260 ( 0.000 0.000 -1.500) 1.500 2.422 ( 0.000 0.000 0.953) 0.953 2.531 ( 0.000 0.000 -2.446) 2.446 2.717 ( 0.000 0.000 0.887) 0.887 3.032 ( 0.000 0.000 -14.494) 14.494 3.095 ( 0.000 0.000 -9.321) 9.321 5.168 ( 0.000 0.000 6.968) 6.968 5.319 ( 0.000 0.000 10.247) 10.247 5.680 ( 0.000 0.000 -7.265) 7.265 5.846 ( 0.000 0.000 -6.467) 6.467 6.384 ( 0.000 0.000 4.498) 4.498 6.485 ( 0.000 0.000 4.963) 4.963 6.548 ( 0.000 0.000 13.239) 13.239 6.632 ( 0.000 0.000 -1.949) 1.949 6.779 ( 0.000 0.000 3.771) 3.771 6.813 ( 0.000 0.000 4.784) 4.784 6.877 ( 0.000 0.000 -7.434) 7.434 7.052 ( 0.000 0.000 -1.030) 1.030 7.126 ( 0.000 0.000 -0.310) 0.310 7.303 ( 0.000 0.000 -3.828) 3.828 7.381 ( 0.000 0.000 -1.555) 1.555 7.418 ( 0.000 0.000 -2.083) 2.083 10.021 ( 0.000 0.000 1.368) 1.368 10.082 ( 0.000 0.000 1.650) 1.650 10.149 ( 0.000 0.000 -2.715) 2.715 10.197 ( 0.000 0.000 0.124) 0.124 10.209 ( 0.000 0.000 -1.840) 1.840 10.214 ( 0.000 0.000 -0.321) 0.321 10.286 ( 0.000 0.000 1.456) 1.456 10.433 ( 0.000 0.000 -3.170) 3.170 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 9.738 0.000 4.582) 10.762 0.531 ( 7.648 0.000 8.659) 11.553 0.786 ( -4.494 0.000 5.522) 7.119 0.837 ( -5.475 0.000 2.063) 5.850 0.903 ( 2.982 0.000 11.635) 12.011 0.963 ( 4.453 0.000 -4.241) 6.149 1.036 ( 3.582 0.000 3.034) 4.694 1.066 ( -0.399 0.000 0.856) 0.944 1.077 ( 0.954 0.000 -4.989) 5.080 1.087 ( 0.795 0.000 0.876) 1.183 1.147 ( -6.239 0.000 -0.690) 6.277 1.257 ( -5.335 0.000 -4.929) 7.263 1.380 ( -1.676 0.000 4.318) 4.632 1.429 ( -4.063 0.000 3.530) 5.382 1.574 ( -1.178 0.000 -2.458) 2.725 1.607 ( 3.426 0.000 3.338) 4.783 1.622 ( -1.661 0.000 -2.632) 3.112 1.705 ( -1.627 0.000 5.206) 5.455 1.749 ( 4.710 0.000 0.787) 4.775 1.825 ( 3.624 0.000 1.653) 3.984 1.863 ( -1.530 0.000 1.916) 2.452 1.947 ( 2.856 0.000 -0.494) 2.899 1.963 ( -2.475 0.000 -0.395) 2.507 1.982 ( 0.505 0.000 1.692) 1.766 1.986 ( 1.597 0.000 -1.932) 2.507 2.043 ( -2.811 0.000 2.212) 3.577 2.048 ( -0.268 0.000 -1.624) 1.646 2.067 ( -2.588 0.000 0.914) 2.744 2.193 ( 4.077 0.000 3.321) 5.258 2.237 ( 5.017 0.000 -2.898) 5.794 2.261 ( -0.085 0.000 -1.189) 1.192 2.396 ( -2.743 0.000 0.247) 2.754 2.554 ( 2.594 0.000 -2.609) 3.679 2.690 ( -2.873 0.000 -0.091) 2.874 3.041 ( 1.002 0.000 -13.589) 13.626 3.086 ( -0.921 0.000 -9.962) 10.005 5.200 ( 3.089 0.000 7.101) 7.744 5.306 ( -1.553 0.000 9.545) 9.671 5.704 ( 2.533 0.000 -7.113) 7.551 5.822 ( -2.516 0.000 -6.539) 7.007 6.395 ( 1.206 0.000 4.442) 4.603 6.465 ( -1.938 0.000 4.754) 5.134 6.567 ( 1.936 0.000 11.132) 11.299 6.627 ( -0.616 0.000 -0.254) 0.667 6.789 ( 0.867 0.000 4.091) 4.182 6.811 ( -0.196 0.000 4.786) 4.790 6.898 ( 2.637 0.000 -5.289) 5.910 7.046 ( -1.211 0.000 -1.024) 1.586 7.126 ( 0.149 0.000 -0.021) 0.151 7.274 ( -9.398 0.000 1.975) 9.603 7.320 ( 1.772 0.000 -3.657) 4.064 7.401 ( -1.747 0.000 -2.406) 2.974 10.027 ( 0.651 0.000 1.340) 1.489 10.068 ( -1.280 0.000 1.445) 1.930 10.151 ( 0.262 0.000 -2.685) 2.697 10.174 ( -1.221 0.000 -1.891) 2.251 10.215 ( 1.713 0.000 0.489) 1.781 10.276 ( -1.071 0.000 1.337) 1.713 10.290 ( 4.857 0.000 -2.142) 5.308 10.418 ( -1.721 0.000 -3.269) 3.694 ======================= Grid point 92 (33/60) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -7.658 0.000 6.831) 10.262 0.678 ( 7.658 0.000 6.831) 10.262 0.693 ( -9.286 0.000 5.961) 11.034 0.693 ( 9.286 0.000 5.961) 11.034 0.998 ( -7.248 0.000 2.523) 7.674 0.998 ( 7.248 0.000 2.523) 7.674 1.047 ( -2.483 0.000 -1.212) 2.763 1.047 ( 2.483 0.000 -1.212) 2.763 1.090 ( -1.521 0.000 -0.308) 1.552 1.090 ( 1.521 0.000 -0.308) 1.552 1.139 ( -6.030 0.000 -3.155) 6.806 1.139 ( 6.030 0.000 -3.155) 6.806 1.374 ( -1.467 0.000 3.989) 4.251 1.374 ( 1.467 0.000 3.989) 4.251 1.586 ( -1.899 0.000 -2.872) 3.443 1.586 ( 1.899 0.000 -2.872) 3.443 1.664 ( -2.814 0.000 4.574) 5.371 1.664 ( 2.814 0.000 4.574) 5.371 1.820 ( -3.115 0.000 1.827) 3.611 1.820 ( 3.115 0.000 1.827) 3.611 1.900 ( -4.145 0.000 -0.077) 4.146 1.900 ( 4.145 0.000 -0.077) 4.146 1.998 ( -1.939 0.000 1.274) 2.319 1.998 ( 1.939 0.000 1.274) 2.319 2.002 ( -1.698 0.000 2.086) 2.690 2.002 ( 1.698 0.000 2.086) 2.690 2.036 ( -0.798 0.000 -2.543) 2.666 2.036 ( 0.798 0.000 -2.543) 2.666 2.248 ( -1.662 0.000 0.202) 1.674 2.248 ( 1.662 0.000 0.202) 1.674 2.328 ( -4.598 0.000 -1.255) 4.766 2.328 ( 4.598 0.000 -1.255) 4.766 2.621 ( -4.291 0.000 -1.951) 4.713 2.621 ( 4.291 0.000 -1.951) 4.713 3.064 ( -1.348 0.000 -11.648) 11.726 3.064 ( 1.348 0.000 -11.648) 11.726 5.262 ( -3.206 0.000 8.055) 8.670 5.262 ( 3.206 0.000 8.055) 8.670 5.763 ( -3.586 0.000 -6.788) 7.677 5.763 ( 3.586 0.000 -6.788) 7.677 6.426 ( -2.120 0.000 4.479) 4.956 6.426 ( 2.120 0.000 4.479) 4.956 6.605 ( -1.858 0.000 5.003) 5.336 6.605 ( 1.858 0.000 5.003) 5.336 6.804 ( -0.649 0.000 4.584) 4.630 6.804 ( 0.649 0.000 4.584) 4.630 6.979 ( -5.672 0.000 -0.983) 5.756 6.979 ( 5.672 0.000 -0.983) 5.756 7.148 ( -3.190 0.000 1.575) 3.558 7.148 ( 3.190 0.000 1.575) 3.558 7.361 ( -2.497 0.000 -3.106) 3.985 7.361 ( 2.497 0.000 -3.106) 3.985 10.044 ( -1.198 0.000 1.316) 1.780 10.044 ( 1.198 0.000 1.316) 1.780 10.159 ( -0.565 0.000 -2.512) 2.575 10.159 ( 0.565 0.000 -2.512) 2.575 10.249 ( -1.801 0.000 0.997) 2.059 10.249 ( 1.801 0.000 0.997) 2.059 10.370 ( -3.630 0.000 -3.227) 4.857 10.370 ( 3.630 0.000 -3.227) 4.857 ======================= Grid point 95 (34/60) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 0.000 3.761 9.648) 10.356 0.527 ( 0.000 10.778 4.326) 11.614 0.811 ( 0.000 -2.380 1.146) 2.642 0.829 ( 0.000 -0.165 2.102) 2.109 0.945 ( 0.000 1.360 -0.281) 1.389 0.955 ( 0.000 -6.395 -1.902) 6.672 0.979 ( 0.000 4.923 5.531) 7.404 1.013 ( 0.000 2.657 7.103) 7.583 1.088 ( 0.000 0.674 0.468) 0.821 1.150 ( 0.000 2.520 -2.441) 3.509 1.192 ( 0.000 -0.544 -2.265) 2.330 1.276 ( 0.000 -2.651 -5.102) 5.750 1.340 ( 0.000 -5.186 4.461) 6.841 1.508 ( 0.000 -3.993 2.657) 4.796 1.515 ( 0.000 3.111 2.819) 4.198 1.598 ( 0.000 -2.649 -0.590) 2.714 1.617 ( 0.000 -1.036 -2.950) 3.127 1.690 ( 0.000 -1.231 2.495) 2.782 1.728 ( 0.000 3.964 0.938) 4.073 1.860 ( 0.000 -1.169 -2.049) 2.359 1.860 ( 0.000 5.054 4.333) 6.657 1.924 ( 0.000 -0.695 1.311) 1.484 1.971 ( 0.000 -0.385 1.746) 1.788 2.000 ( 0.000 2.180 0.024) 2.180 2.031 ( 0.000 3.271 0.168) 3.275 2.033 ( 0.000 -1.130 -1.484) 1.865 2.076 ( 0.000 -3.273 -0.931) 3.403 2.092 ( 0.000 0.824 3.417) 3.515 2.152 ( 0.000 1.953 5.415) 5.757 2.155 ( 0.000 -2.070 -3.979) 4.485 2.268 ( 0.000 0.489 -1.680) 1.750 2.436 ( 0.000 1.365 0.945) 1.660 2.516 ( 0.000 -1.137 -1.869) 2.188 2.684 ( 0.000 -3.073 0.995) 3.230 3.024 ( 0.000 -0.762 -14.166) 14.187 3.085 ( 0.000 -0.835 -9.793) 9.829 5.205 ( 0.000 3.494 6.579) 7.449 5.345 ( 0.000 2.568 9.805) 10.136 5.704 ( 0.000 2.009 -7.369) 7.638 5.866 ( 0.000 1.968 -7.413) 7.670 6.307 ( 0.000 -6.151 5.875) 8.506 6.400 ( 0.000 -7.032 5.344) 8.832 6.548 ( 0.000 -6.603 -1.693) 6.817 6.565 ( 0.000 0.758 9.915) 9.944 6.659 ( 0.000 -8.705 -1.811) 8.891 6.810 ( 0.000 -1.798 3.220) 3.688 6.896 ( 0.000 -0.442 0.785) 0.901 7.095 ( 0.000 2.433 -0.481) 2.480 7.184 ( 0.000 4.823 0.379) 4.838 7.279 ( 0.000 -7.067 1.397) 7.204 7.351 ( 0.000 3.764 -3.443) 5.101 7.453 ( 0.000 3.576 -4.314) 5.604 10.024 ( 0.000 0.256 1.379) 1.402 10.086 ( 0.000 0.412 1.668) 1.718 10.144 ( 0.000 -0.395 -2.333) 2.366 10.198 ( 0.000 0.202 -1.140) 1.158 10.207 ( 0.000 -0.710 -0.160) 0.728 10.218 ( 0.000 0.646 -0.669) 0.930 10.324 ( 0.000 2.765 -1.010) 2.943 10.411 ( 0.000 -2.129 -2.730) 3.462 ======================= Grid point 96 (35/60) ======================= q-point: ( 0.25 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 2.932 2.608 5.783) 6.989 0.609 ( 4.223 3.357 7.009) 8.845 0.793 ( -2.020 -0.058 4.370) 4.814 0.805 ( -3.438 -0.848 3.947) 5.303 0.947 ( -0.720 -2.720 0.130) 2.817 0.969 ( 0.775 -2.184 3.850) 4.494 0.982 ( 3.837 3.227 -2.848) 5.766 1.031 ( 2.080 1.984 4.215) 5.102 1.111 ( 1.456 2.215 -0.013) 2.651 1.144 ( -2.564 -0.763 -0.875) 2.815 1.176 ( 0.770 4.741 -2.828) 5.574 1.269 ( -1.915 0.435 -3.978) 4.436 1.346 ( 0.517 -3.199 3.870) 5.047 1.425 ( -4.523 -0.337 2.412) 5.137 1.560 ( -2.019 -2.060 -1.737) 3.367 1.576 ( -0.437 -2.314 -1.060) 2.583 1.602 ( 1.676 -0.356 1.607) 2.349 1.684 ( -1.041 -0.653 3.328) 3.548 1.774 ( 3.592 0.373 0.541) 3.652 1.853 ( -0.358 0.588 0.767) 1.031 1.877 ( 1.183 1.836 1.482) 2.639 1.923 ( -0.426 -0.518 2.162) 2.264 1.956 ( -0.801 -1.207 2.090) 2.543 1.995 ( -0.766 1.111 1.050) 1.710 2.017 ( -0.390 1.888 0.355) 1.960 2.036 ( -0.185 0.833 -0.760) 1.143 2.068 ( -0.262 -0.347 -0.630) 0.766 2.095 ( -0.746 2.605 -1.591) 3.142 2.173 ( 3.048 -1.334 4.385) 5.504 2.204 ( 2.990 -2.468 -2.078) 4.399 2.283 ( 1.968 1.331 -1.157) 2.642 2.407 ( -2.867 1.090 0.205) 3.074 2.537 ( 2.234 -1.403 -1.612) 3.092 2.658 ( -2.756 -2.961 0.269) 4.054 3.034 ( 0.975 -0.762 -13.449) 13.505 3.076 ( -0.896 -0.817 -10.367) 10.437 5.231 ( 2.653 3.101 6.864) 7.986 5.330 ( -1.669 2.443 9.190) 9.655 5.730 ( 2.613 2.157 -7.390) 8.130 5.844 ( -2.343 2.082 -7.458) 8.090 6.317 ( 1.123 -6.226 5.760) 8.556 6.381 ( -1.771 -6.841 5.366) 8.873 6.558 ( 0.978 -5.880 -1.482) 6.143 6.574 ( 0.614 -0.923 6.162) 6.261 6.677 ( 2.283 -7.348 1.719) 7.884 6.804 ( -1.537 -1.342 4.996) 5.397 6.898 ( 1.222 -2.225 0.446) 2.577 7.072 ( -3.926 -1.061 1.414) 4.306 7.179 ( -0.671 4.872 0.029) 4.918 7.199 ( -4.052 -1.733 2.573) 5.103 7.390 ( 2.216 4.259 -4.331) 6.466 7.446 ( -0.832 3.951 -4.418) 5.985 10.030 ( 0.677 0.276 1.355) 1.540 10.072 ( -1.305 0.391 1.471) 2.005 10.147 ( 0.364 -0.312 -2.327) 2.376 10.174 ( -1.264 0.015 -1.684) 2.106 10.222 ( 1.745 0.478 -0.025) 1.809 10.259 ( 1.780 -0.790 0.151) 1.953 10.325 ( 0.708 2.082 -1.989) 2.965 10.398 ( -1.426 -1.879 -2.810) 3.669 ======================= Grid point 97 (36/60) ======================= q-point: (-0.50 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -5.833 -2.814 3.930) 7.575 0.593 ( 5.833 -2.814 3.930) 7.575 0.766 ( -1.377 2.734 8.865) 9.379 0.766 ( 1.377 2.734 8.865) 9.379 0.953 ( -1.141 -4.172 -1.184) 4.485 0.953 ( 1.141 -4.172 -1.184) 4.485 1.079 ( -3.127 1.769 1.896) 4.062 1.079 ( 3.127 1.769 1.896) 4.062 1.094 ( -4.794 2.726 -0.896) 5.587 1.094 ( 4.794 2.726 -0.896) 5.587 1.212 ( -2.935 5.100 -3.040) 6.623 1.212 ( 2.935 5.100 -3.040) 6.623 1.364 ( -1.995 -1.139 2.738) 3.574 1.364 ( 1.995 -1.139 2.738) 3.574 1.549 ( -1.182 -3.255 -2.662) 4.367 1.549 ( 1.182 -3.255 -2.662) 4.367 1.651 ( -2.501 -0.295 3.747) 4.515 1.651 ( 2.501 -0.295 3.747) 4.515 1.831 ( -2.344 -1.432 0.441) 2.782 1.831 ( 2.344 -1.432 0.441) 2.782 1.902 ( -1.505 1.123 1.928) 2.691 1.902 ( 1.505 1.123 1.928) 2.691 1.966 ( -1.684 -0.989 2.681) 3.317 1.966 ( 1.684 -0.989 2.681) 3.317 2.028 ( -0.885 1.790 -0.285) 2.017 2.028 ( 0.885 1.790 -0.285) 2.017 2.073 ( -0.980 2.187 -1.412) 2.781 2.073 ( 0.980 2.187 -1.412) 2.781 2.221 ( -1.242 -2.358 0.465) 2.705 2.221 ( 1.242 -2.358 0.465) 2.705 2.342 ( -3.952 1.266 -0.711) 4.210 2.342 ( 3.952 1.266 -0.711) 4.210 2.594 ( -3.807 -2.386 -1.040) 4.612 2.594 ( 3.807 -2.386 -1.040) 4.612 3.055 ( -1.305 -0.780 -11.838) 11.935 3.055 ( 1.305 -0.780 -11.838) 11.935 5.286 ( -2.987 2.525 7.875) 8.793 5.286 ( 2.987 2.525 7.875) 8.793 5.788 ( -3.458 2.247 -7.470) 8.533 5.788 ( 3.458 2.247 -7.470) 8.533 6.346 ( -1.923 -6.477 5.528) 8.730 6.346 ( 1.923 -6.477 5.528) 8.730 6.575 ( -0.595 -4.180 0.244) 4.229 6.575 ( 0.595 -4.180 0.244) 4.229 6.743 ( -4.431 -3.710 5.924) 8.276 6.743 ( 4.431 -3.710 5.924) 8.276 6.963 ( -5.758 -3.600 2.761) 7.330 6.963 ( 5.758 -3.600 2.761) 7.330 7.172 ( -0.451 3.826 0.684) 3.913 7.172 ( 0.451 3.826 0.684) 3.913 7.423 ( -1.543 4.767 -4.641) 6.829 7.423 ( 1.543 4.767 -4.641) 6.829 10.048 ( -1.243 0.331 1.342) 1.859 10.048 ( 1.243 0.331 1.342) 1.859 10.157 ( -0.708 -0.129 -2.196) 2.311 10.157 ( 0.708 -0.129 -2.196) 2.311 10.255 ( -1.541 0.377 0.470) 1.654 10.255 ( 1.541 0.377 0.470) 1.654 10.361 ( -2.524 -0.792 -2.907) 3.930 10.361 ( 2.524 -0.792 -2.907) 3.930 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 0.000 3.319 4.507) 5.597 0.739 ( 0.000 -4.808 -0.137) 4.810 0.762 ( 0.000 11.507 3.805) 12.120 0.839 ( 0.000 1.117 3.356) 3.537 0.844 ( 0.000 -4.179 0.639) 4.228 0.984 ( 0.000 1.163 2.095) 2.396 1.035 ( 0.000 -4.139 0.839) 4.223 1.069 ( 0.000 6.020 -2.222) 6.417 1.102 ( 0.000 4.354 3.440) 5.549 1.136 ( 0.000 -2.561 -1.903) 3.191 1.227 ( 0.000 -1.492 -4.250) 4.504 1.255 ( 0.000 -1.438 0.994) 1.748 1.277 ( 0.000 5.450 -2.817) 6.135 1.414 ( 0.000 -5.254 0.631) 5.292 1.538 ( 0.000 -3.494 1.860) 3.958 1.581 ( 0.000 -2.399 -1.034) 2.613 1.585 ( 0.000 3.065 1.228) 3.302 1.677 ( 0.000 -0.470 0.044) 0.472 1.802 ( 0.000 3.004 2.445) 3.873 1.825 ( 0.000 -1.953 -1.889) 2.717 1.889 ( 0.000 -2.603 4.845) 5.500 1.948 ( 0.000 1.833 3.022) 3.534 1.966 ( 0.000 -0.777 5.182) 5.240 1.974 ( 0.000 -3.956 0.442) 3.981 2.015 ( 0.000 -2.013 -0.080) 2.015 2.037 ( 0.000 1.585 2.369) 2.850 2.071 ( 0.000 1.067 -0.704) 1.278 2.108 ( 0.000 -1.957 -3.294) 3.832 2.127 ( 0.000 2.571 0.558) 2.631 2.194 ( 0.000 1.696 2.271) 2.834 2.256 ( 0.000 -1.889 -1.711) 2.548 2.469 ( 0.000 1.665 1.461) 2.215 2.508 ( 0.000 0.560 -0.055) 0.563 2.608 ( 0.000 -4.168 1.392) 4.394 3.003 ( 0.000 -1.230 -13.385) 13.441 3.068 ( 0.000 -0.697 -10.697) 10.719 5.297 ( 0.000 5.379 5.328) 7.571 5.417 ( 0.000 4.507 8.551) 9.667 5.742 ( 0.000 1.554 -6.178) 6.371 5.915 ( 0.000 2.626 -9.510) 9.866 6.185 ( 0.000 -5.550 5.763) 8.001 6.255 ( 0.000 -6.850 6.082) 9.160 6.418 ( 0.000 -5.810 -1.687) 6.050 6.493 ( 0.000 -7.381 -3.506) 8.172 6.571 ( 0.000 0.013 4.818) 4.819 6.727 ( 0.000 -6.140 2.317) 6.563 6.840 ( 0.000 -4.959 3.685) 6.178 7.018 ( 0.000 -7.907 2.864) 8.410 7.262 ( 0.000 4.494 0.975) 4.599 7.295 ( 0.000 4.936 0.190) 4.940 7.431 ( 0.000 4.185 -3.259) 5.304 7.537 ( 0.000 4.077 -5.618) 6.941 10.032 ( 0.000 0.564 1.391) 1.501 10.098 ( 0.000 0.780 1.709) 1.879 10.138 ( 0.000 -0.045 -1.767) 1.767 10.186 ( 0.000 -1.354 0.203) 1.369 10.204 ( 0.000 0.317 -1.557) 1.589 10.228 ( 0.000 0.231 -0.723) 0.759 10.355 ( 0.000 -3.417 -1.724) 3.827 10.363 ( 0.000 0.957 -2.609) 2.779 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.25 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.480 3.821 3.600) 5.272 0.683 ( -5.368 4.073 0.749) 6.779 0.762 ( 1.791 -1.316 4.176) 4.731 0.839 ( -0.200 3.470 4.418) 5.621 0.850 ( -0.841 -3.672 1.586) 4.088 0.938 ( -2.458 -1.274 2.752) 3.904 1.077 ( 1.629 5.122 -4.118) 6.771 1.108 ( 0.209 1.206 -0.471) 1.311 1.117 ( 4.125 -1.210 1.626) 4.596 1.141 ( 1.220 1.933 0.762) 2.409 1.229 ( 1.178 -1.542 -4.134) 4.566 1.285 ( 2.299 -1.011 -0.072) 2.512 1.292 ( 1.108 3.254 -1.577) 3.782 1.401 ( -1.375 -2.507 0.797) 2.968 1.503 ( -2.732 -1.808 -0.260) 3.286 1.548 ( -2.807 -1.562 -0.925) 3.342 1.613 ( 1.884 0.684 1.626) 2.581 1.671 ( -0.720 -0.848 0.749) 1.341 1.793 ( -0.171 1.801 1.411) 2.294 1.818 ( -0.714 -1.681 -0.133) 1.831 1.877 ( -0.803 -2.240 5.258) 5.772 1.920 ( -3.113 -2.409 3.216) 5.083 1.960 ( 0.896 1.514 3.087) 3.553 1.988 ( 0.190 -3.252 0.641) 3.321 2.024 ( 0.542 -1.750 0.484) 1.895 2.052 ( -0.817 0.082 0.385) 0.907 2.062 ( 2.399 2.284 0.067) 3.313 2.136 ( 0.223 1.601 -1.292) 2.069 2.151 ( 2.863 -1.147 -1.281) 3.340 2.188 ( -0.199 1.386 2.903) 3.223 2.292 ( 3.612 -0.639 -0.821) 3.759 2.436 ( -3.143 1.556 0.533) 3.547 2.516 ( 0.781 -0.353 0.574) 1.032 2.586 ( -2.179 -3.803 1.014) 4.499 3.014 ( 1.106 -1.072 -12.906) 12.997 3.060 ( -0.887 -0.708 -11.042) 11.100 5.316 ( 2.001 5.127 5.757) 7.964 5.401 ( -1.729 4.499 8.013) 9.351 5.772 ( 3.029 1.829 -6.812) 7.676 5.893 ( -2.295 2.590 -9.295) 9.918 6.193 ( 0.874 -5.709 5.834) 8.210 6.242 ( -1.299 -6.576 6.020) 9.010 6.432 ( 1.320 -5.936 -2.009) 6.404 6.482 ( -1.032 -6.673 -3.185) 7.466 6.603 ( 3.356 -1.086 4.891) 6.030 6.737 ( 0.198 -5.301 3.960) 6.619 6.815 ( -1.516 -5.425 2.617) 6.211 6.955 ( -5.869 -7.458 4.235) 10.393 7.263 ( 0.320 5.095 0.659) 5.148 7.286 ( -0.674 5.283 0.513) 5.351 7.468 ( 2.936 3.675 -4.159) 6.278 7.532 ( -0.600 4.040 -5.525) 6.871 10.038 ( 0.726 0.594 1.383) 1.671 10.083 ( -1.375 0.701 1.515) 2.162 10.143 ( 0.476 -0.013 -1.758) 1.821 10.171 ( -1.019 -0.418 -1.007) 1.493 10.224 ( 1.721 -0.351 -0.762) 1.914 10.247 ( 1.356 -0.403 -0.108) 1.419 10.344 ( -0.793 -1.964 -2.259) 3.097 10.357 ( -0.709 -0.416 -2.240) 2.386 ======================= Grid point 102 (39/60) ======================= q-point: (-0.50 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -2.946 3.623 1.963) 5.065 0.604 ( 2.946 3.623 1.963) 5.065 0.800 ( -2.394 0.279 6.179) 6.632 0.800 ( 2.394 0.279 6.179) 6.632 0.884 ( -3.205 -1.365 0.965) 3.615 0.884 ( 3.205 -1.365 0.965) 3.615 1.098 ( -0.858 1.602 -2.327) 2.952 1.098 ( 0.858 1.602 -2.327) 2.952 1.163 ( -0.441 1.511 1.122) 1.933 1.163 ( 0.441 1.511 1.122) 1.933 1.270 ( -2.506 -1.057 -3.397) 4.352 1.270 ( 2.506 -1.057 -3.397) 4.352 1.352 ( -3.909 1.364 1.466) 4.392 1.352 ( 3.909 1.364 1.466) 4.392 1.494 ( -2.153 -1.392 -2.046) 3.280 1.494 ( 2.153 -1.392 -2.046) 3.280 1.648 ( -1.753 -0.632 1.959) 2.704 1.648 ( 1.753 -0.632 1.959) 2.704 1.803 ( -0.948 -0.217 0.616) 1.151 1.803 ( 0.948 -0.217 0.616) 1.151 1.876 ( -1.154 -2.667 4.527) 5.380 1.876 ( 1.154 -2.667 4.527) 5.380 1.978 ( -0.991 -0.615 1.888) 2.219 1.978 ( 0.991 -0.615 1.888) 2.219 2.037 ( -0.799 -1.127 -0.072) 1.383 2.037 ( 0.799 -1.127 -0.072) 1.383 2.112 ( -2.506 1.954 -1.174) 3.388 2.112 ( 2.506 1.954 -1.174) 3.388 2.187 ( -0.773 -0.231 1.497) 1.701 2.187 ( 0.773 -0.231 1.497) 1.701 2.367 ( -4.192 0.902 -0.097) 4.289 2.367 ( 4.192 0.902 -0.097) 4.289 2.542 ( -2.201 -2.397 0.613) 3.312 2.542 ( 2.201 -2.397 0.613) 3.312 3.038 ( -1.384 -0.819 -11.913) 12.021 3.038 ( 1.384 -0.819 -11.913) 12.021 5.360 ( -2.549 4.689 6.849) 8.683 5.360 ( 2.549 4.689 6.849) 8.683 5.837 ( -3.679 2.326 -8.292) 9.365 5.837 ( 3.679 2.326 -8.292) 9.365 6.215 ( -1.474 -6.099 5.944) 8.643 6.215 ( 1.474 -6.099 5.944) 8.643 6.459 ( -1.488 -6.171 -2.674) 6.888 6.459 ( 1.488 -6.171 -2.674) 6.888 6.683 ( -4.962 -2.744 4.969) 7.539 6.683 ( 4.962 -2.744 4.969) 7.539 6.851 ( -4.766 -6.799 3.808) 9.134 6.851 ( 4.766 -6.799 3.808) 9.134 7.274 ( -0.720 5.339 0.615) 5.422 7.274 ( 0.720 5.339 0.615) 5.422 7.512 ( -1.734 3.832 -5.127) 6.631 7.512 ( 1.734 3.832 -5.127) 6.631 10.057 ( -1.308 0.644 1.392) 2.016 10.057 ( 1.308 0.644 1.392) 2.016 10.155 ( -0.790 -0.086 -1.617) 1.802 10.155 ( 0.790 -0.086 -1.617) 1.802 10.253 ( -0.995 -0.724 -0.118) 1.237 10.253 ( 0.995 -0.724 -0.118) 1.237 10.342 ( -0.688 -1.114 -2.351) 2.690 10.342 ( 0.688 -1.114 -2.351) 2.690 ======================= Grid point 105 (40/60) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.000 -4.593 -1.857) 4.954 0.649 ( 0.000 4.806 -2.094) 5.242 0.777 ( 0.000 -2.937 2.666) 3.967 0.877 ( 0.000 2.177 3.138) 3.819 0.922 ( 0.000 4.978 1.864) 5.316 0.996 ( 0.000 0.584 0.571) 0.816 1.019 ( 0.000 -3.349 2.640) 4.265 1.088 ( 0.000 4.980 -1.051) 5.090 1.136 ( 0.000 -2.137 -4.153) 4.670 1.177 ( 0.000 3.897 -0.761) 3.970 1.239 ( 0.000 2.133 -1.823) 2.806 1.279 ( 0.000 3.150 -2.780) 4.201 1.324 ( 0.000 -2.519 -1.689) 3.033 1.359 ( 0.000 1.213 -3.858) 4.045 1.466 ( 0.000 -3.265 4.367) 5.453 1.529 ( 0.000 -2.384 0.085) 2.385 1.593 ( 0.000 -2.471 -1.604) 2.946 1.673 ( 0.000 0.345 -0.329) 0.477 1.800 ( 0.000 -0.849 -1.201) 1.471 1.819 ( 0.000 -4.066 6.550) 7.709 1.825 ( 0.000 -1.006 3.163) 3.319 1.894 ( 0.000 -0.951 3.510) 3.636 1.930 ( 0.000 -4.994 2.693) 5.674 1.939 ( 0.000 -1.208 9.399) 9.476 2.011 ( 0.000 1.501 -1.051) 1.833 2.049 ( 0.000 -1.033 0.160) 1.045 2.087 ( 0.000 -0.770 -2.536) 2.650 2.106 ( 0.000 2.796 -0.706) 2.884 2.175 ( 0.000 1.978 0.563) 2.056 2.216 ( 0.000 -1.315 -0.516) 1.412 2.217 ( 0.000 0.703 2.609) 2.702 2.491 ( 0.000 0.339 2.247) 2.272 2.528 ( 0.000 1.045 1.487) 1.818 2.535 ( 0.000 -2.858 2.361) 3.707 2.980 ( 0.000 -1.042 -12.836) 12.878 3.061 ( 0.000 -0.040 -10.834) 10.834 5.402 ( 0.000 4.822 3.278) 5.831 5.513 ( 0.000 4.712 6.648) 8.149 5.766 ( 0.000 0.890 -5.120) 5.197 5.960 ( 0.000 1.785 -10.263) 10.417 6.094 ( 0.000 -3.560 5.229) 6.326 6.140 ( 0.000 -4.658 5.941) 7.549 6.333 ( 0.000 -2.528 -1.560) 2.970 6.379 ( 0.000 -3.960 -3.174) 5.075 6.572 ( 0.000 0.149 0.401) 0.427 6.588 ( 0.000 -7.308 1.920) 7.556 6.722 ( 0.000 -6.219 3.122) 6.959 6.884 ( 0.000 -5.113 1.685) 5.384 7.349 ( 0.000 3.661 0.885) 3.766 7.379 ( 0.000 3.274 0.756) 3.360 7.508 ( 0.000 3.253 -3.132) 4.516 7.599 ( 0.000 2.062 -4.957) 5.368 10.047 ( 0.000 0.952 1.388) 1.683 10.119 ( 0.000 1.328 1.575) 2.060 10.144 ( 0.000 0.650 -1.422) 1.564 10.155 ( 0.000 -1.654 0.596) 1.758 10.208 ( 0.000 -0.018 -1.611) 1.611 10.226 ( 0.000 -0.388 -1.134) 1.199 10.282 ( 0.000 -3.689 -0.653) 3.746 10.367 ( 0.000 -0.250 -2.764) 2.775 ======================= Grid point 106 (41/60) ======================= q-point: ( 0.25 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.983 -0.373 -1.177) 1.578 0.681 ( 1.661 1.589 -1.075) 2.538 0.771 ( -0.146 -2.496 1.165) 2.759 0.834 ( -1.884 4.824 2.633) 5.810 0.939 ( -0.588 2.521 1.745) 3.122 0.969 ( -2.539 5.300 2.148) 6.257 1.066 ( 4.182 -3.127 0.089) 5.223 1.085 ( 0.572 0.345 -0.304) 0.734 1.153 ( 1.113 -2.245 -3.934) 4.664 1.170 ( -1.108 3.802 -0.687) 4.019 1.218 ( -0.362 0.219 -2.233) 2.272 1.281 ( -2.885 -1.470 -2.655) 4.188 1.324 ( 3.188 2.815 -1.309) 4.450 1.391 ( 1.390 0.543 -1.169) 1.896 1.470 ( 0.373 -2.798 2.365) 3.682 1.512 ( -1.665 -1.595 -1.002) 2.514 1.604 ( 1.129 -1.598 -0.544) 2.031 1.659 ( -1.396 -0.128 0.055) 1.403 1.795 ( -0.524 -2.128 0.501) 2.248 1.817 ( 0.296 -1.283 3.702) 3.929 1.828 ( 0.172 -1.766 3.274) 3.724 1.857 ( -3.276 -2.194 4.284) 5.822 1.913 ( -0.623 -3.212 4.882) 5.877 1.931 ( -1.301 -2.512 3.736) 4.686 2.016 ( 0.528 0.602 0.365) 0.880 2.043 ( -0.718 -0.750 -0.040) 1.039 2.115 ( 1.553 2.536 -0.047) 2.974 2.133 ( 3.306 -0.420 -0.989) 3.476 2.176 ( 0.093 1.511 0.214) 1.529 2.212 ( -0.380 0.862 2.985) 3.131 2.271 ( 4.929 -0.985 -0.480) 5.049 2.456 ( -3.670 0.109 1.099) 3.832 2.517 ( -0.738 -0.475 3.176) 3.295 2.526 ( -0.894 -1.134 1.214) 1.887 2.995 ( 1.488 -0.829 -12.343) 12.460 3.051 ( -1.023 -0.147 -11.010) 11.059 5.419 ( 1.765 4.813 3.752) 6.353 5.497 ( -1.648 4.760 6.101) 7.912 5.800 ( 3.453 1.003 -6.185) 7.154 5.937 ( -2.484 1.696 -10.062) 10.503 6.099 ( 0.518 -3.732 5.560) 6.717 6.131 ( -0.861 -4.476 6.004) 7.538 6.342 ( 0.936 -2.766 -1.904) 3.485 6.374 ( -0.475 -3.760 -3.031) 4.853 6.581 ( 1.389 -2.579 1.002) 3.096 6.618 ( 2.634 -4.722 2.660) 6.026 6.699 ( -1.849 -5.937 2.450) 6.684 6.829 ( -5.277 -4.717 2.296) 7.441 7.354 ( 0.512 3.690 0.859) 3.823 7.375 ( -0.424 3.437 0.815) 3.558 7.533 ( 2.287 2.710 -3.675) 5.107 7.593 ( -0.657 2.077 -4.852) 5.319 10.054 ( 0.801 1.016 1.362) 1.878 10.101 ( -1.490 1.130 1.342) 2.302 10.148 ( 0.207 0.435 -1.235) 1.326 10.154 ( -0.139 -1.320 -0.007) 1.328 10.217 ( 0.778 -0.193 -1.183) 1.429 10.235 ( 0.521 -0.965 -0.479) 1.197 10.288 ( 0.893 -2.798 -1.286) 3.206 10.354 ( -1.470 -0.449 -2.572) 2.996 ======================= Grid point 107 (42/60) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -2.107 0.591 0.018) 2.189 0.671 ( 2.107 0.591 0.018) 2.189 0.800 ( -2.475 2.061 0.323) 3.237 0.800 ( 2.475 2.061 0.323) 3.237 0.932 ( -0.778 5.338 2.436) 5.918 0.932 ( 0.778 5.338 2.436) 5.918 1.099 ( -1.315 -2.784 -1.265) 3.329 1.099 ( 1.315 -2.784 -1.265) 3.329 1.168 ( -0.982 0.490 -1.136) 1.580 1.168 ( 0.982 0.490 -1.136) 1.580 1.231 ( -2.078 -0.557 -2.668) 3.427 1.231 ( 2.078 -0.557 -2.668) 3.427 1.380 ( -2.475 0.230 0.539) 2.543 1.380 ( 2.475 0.230 0.539) 2.543 1.484 ( -1.234 -0.796 -1.156) 1.870 1.484 ( 1.234 -0.796 -1.156) 1.870 1.630 ( -1.614 -0.674 0.362) 1.786 1.630 ( 1.614 -0.674 0.362) 1.786 1.802 ( -1.642 -2.025 0.680) 2.695 1.802 ( 1.642 -2.025 0.680) 2.695 1.829 ( -0.268 -1.773 5.010) 5.321 1.829 ( 0.268 -1.773 5.010) 5.321 1.911 ( -0.593 -2.934 3.644) 4.716 1.911 ( 0.593 -2.934 3.644) 4.716 2.028 ( -0.796 -0.138 0.191) 0.830 2.028 ( 0.796 -0.138 0.191) 0.830 2.148 ( -1.437 1.521 0.087) 2.094 2.148 ( 1.437 1.521 0.087) 2.094 2.197 ( -1.617 0.559 1.539) 2.302 2.197 ( 1.617 0.559 1.539) 2.302 2.370 ( -5.461 -0.591 0.208) 5.496 2.370 ( 5.461 -0.591 0.208) 5.496 2.512 ( -0.355 -0.598 2.160) 2.269 2.512 ( 0.355 -0.598 2.160) 2.269 3.026 ( -1.709 -0.440 -11.538) 11.672 3.026 ( 1.709 -0.440 -11.538) 11.672 5.459 ( -2.338 4.801 4.910) 7.254 5.459 ( 2.338 4.801 4.910) 7.254 5.874 ( -4.172 1.358 -8.561) 9.620 5.874 ( 4.172 1.358 -8.561) 9.620 6.113 ( -0.987 -4.095 5.962) 7.300 6.113 ( 0.987 -4.095 5.962) 7.300 6.361 ( -0.965 -3.279 -2.572) 4.278 6.361 ( 0.965 -3.279 -2.572) 4.278 6.620 ( -2.450 -4.024 2.418) 5.296 6.620 ( 2.450 -4.024 2.418) 5.296 6.726 ( -5.093 -4.718 2.401) 7.346 6.726 ( 5.093 -4.718 2.401) 7.346 7.365 ( -0.630 3.613 0.856) 3.766 7.365 ( 0.630 3.613 0.856) 3.766 7.572 ( -1.723 2.208 -4.452) 5.259 7.572 ( 1.723 2.208 -4.452) 5.259 10.074 ( -1.347 1.087 1.323) 2.179 10.074 ( 1.347 1.087 1.323) 2.179 10.151 ( -0.145 -0.436 -0.842) 0.959 10.151 ( 0.145 -0.436 -0.842) 0.959 10.232 ( -0.705 -1.118 -0.419) 1.387 10.232 ( 0.705 -1.118 -0.419) 1.387 10.319 ( -2.157 -1.143 -2.106) 3.225 10.319 ( 2.157 -1.143 -2.106) 3.225 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.000 -1.711 -1.928) 2.578 0.737 ( 0.000 -0.920 2.863) 3.007 0.767 ( 0.000 6.102 -4.133) 7.370 0.912 ( 0.000 1.772 -1.267) 2.179 0.935 ( 0.000 -2.814 0.737) 2.909 1.009 ( 0.000 -2.579 -2.611) 3.670 1.018 ( 0.000 -4.631 -4.066) 6.163 1.060 ( 0.000 8.976 0.718) 9.004 1.193 ( 0.000 2.589 -2.421) 3.544 1.233 ( 0.000 1.324 4.623) 4.809 1.268 ( 0.000 -8.786 -3.126) 9.325 1.279 ( 0.000 1.695 -1.606) 2.335 1.316 ( 0.000 0.707 -2.563) 2.658 1.376 ( 0.000 4.743 -2.076) 5.177 1.409 ( 0.000 -2.350 2.726) 3.599 1.513 ( 0.000 0.451 0.768) 0.891 1.569 ( 0.000 0.458 -1.523) 1.590 1.676 ( 0.000 0.036 -0.270) 0.272 1.726 ( 0.000 -3.311 4.942) 5.948 1.765 ( 0.000 -5.016 -0.037) 5.016 1.805 ( 0.000 0.236 1.116) 1.141 1.844 ( 0.000 -0.733 5.696) 5.743 1.911 ( 0.000 0.437 3.593) 3.619 1.928 ( 0.000 -0.098 10.749) 10.749 2.019 ( 0.000 -1.280 -1.288) 1.816 2.037 ( 0.000 1.006 -1.028) 1.439 2.067 ( 0.000 -1.013 -2.260) 2.477 2.153 ( 0.000 1.394 -1.153) 1.810 2.205 ( 0.000 -0.113 0.590) 0.600 2.206 ( 0.000 1.090 1.016) 1.490 2.224 ( 0.000 0.058 4.443) 4.443 2.481 ( 0.000 -0.808 2.485) 2.613 2.505 ( 0.000 -0.407 3.592) 3.615 2.541 ( 0.000 0.336 2.110) 2.136 2.965 ( 0.000 -0.394 -12.631) 12.637 3.063 ( 0.000 0.146 -10.419) 10.420 5.472 ( 0.000 1.927 1.418) 2.393 5.586 ( 0.000 2.144 4.832) 5.286 5.779 ( 0.000 0.385 -5.070) 5.084 5.989 ( 0.000 1.191 -11.116) 11.179 6.042 ( 0.000 -1.575 5.238) 5.470 6.071 ( 0.000 -2.087 6.488) 6.816 6.313 ( 0.000 -0.125 -2.223) 2.227 6.339 ( 0.000 0.031 -1.355) 1.356 6.460 ( 0.000 -4.658 2.392) 5.236 6.575 ( 0.000 0.143 -1.967) 1.972 6.622 ( 0.000 -3.012 1.937) 3.581 6.818 ( 0.000 -1.557 0.221) 1.573 7.399 ( 0.000 1.287 1.148) 1.724 7.423 ( 0.000 1.118 0.891) 1.430 7.553 ( 0.000 1.182 -2.954) 3.182 7.623 ( 0.000 0.540 -4.271) 4.305 10.068 ( 0.000 0.963 1.454) 1.744 10.121 ( 0.000 -1.200 0.488) 1.295 10.157 ( 0.000 2.182 1.492) 2.643 10.161 ( 0.000 0.833 -1.234) 1.488 10.200 ( 0.000 -0.646 -1.749) 1.865 10.213 ( 0.000 -3.160 0.172) 3.165 10.220 ( 0.000 -0.154 -1.353) 1.361 10.362 ( 0.000 -0.209 -2.725) 2.733 ======================= Grid point 111 (44/60) ======================= q-point: ( 0.25 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 2.329 -1.508 -1.356) 3.088 0.708 ( -2.697 -0.554 1.333) 3.059 0.796 ( 2.589 3.720 -3.886) 5.970 0.875 ( -1.609 0.056 -3.115) 3.506 1.005 ( 3.260 -1.873 -1.107) 3.919 1.016 ( 0.450 1.267 -1.130) 1.756 1.046 ( 4.350 -2.240 -0.699) 4.942 1.058 ( -0.509 5.285 0.954) 5.395 1.144 ( -3.552 -0.127 -0.898) 3.666 1.234 ( -0.360 2.020 -2.578) 3.295 1.258 ( 0.081 2.890 1.345) 3.189 1.291 ( 0.191 0.728 -0.887) 1.163 1.329 ( 0.352 -2.205 -1.785) 2.858 1.385 ( -0.152 -0.185 -2.017) 2.031 1.409 ( 0.522 -1.968 1.280) 2.405 1.468 ( -3.048 -1.925 -0.921) 3.720 1.594 ( 1.910 0.895 -0.505) 2.169 1.665 ( -1.271 0.453 0.208) 1.366 1.708 ( -0.749 -4.895 3.627) 6.138 1.773 ( -1.459 -1.811 5.182) 5.680 1.783 ( -0.044 -2.014 -1.743) 2.664 1.847 ( -3.143 -0.000 4.823) 5.757 1.873 ( 1.462 0.170 5.396) 5.593 1.932 ( -0.782 0.470 7.370) 7.426 2.015 ( 0.111 -0.578 -0.788) 0.984 2.038 ( -0.520 0.239 -0.739) 0.934 2.119 ( 4.339 -0.490 -0.259) 4.374 2.157 ( 0.964 1.202 -0.711) 1.697 2.199 ( -0.598 0.815 0.543) 1.147 2.221 ( -0.487 0.026 4.191) 4.219 2.259 ( 4.689 -0.254 0.048) 4.696 2.444 ( -3.807 -0.696 1.743) 4.245 2.503 ( -0.077 -0.244 3.484) 3.494 2.530 ( -1.116 0.255 2.360) 2.623 2.983 ( 1.786 -0.316 -12.028) 12.164 3.051 ( -1.258 0.064 -10.578) 10.653 5.490 ( 1.853 1.977 1.884) 3.300 5.570 ( -1.621 2.163 4.292) 5.073 5.814 ( 3.586 0.378 -6.306) 7.265 5.963 ( -2.824 0.934 -11.022) 11.416 6.045 ( 0.322 -1.550 5.848) 6.059 6.065 ( -0.546 -1.933 6.627) 6.925 6.319 ( 0.534 -0.211 -2.182) 2.257 6.337 ( -0.240 -0.105 -1.608) 1.630 6.481 ( 2.198 -4.184 2.443) 5.320 6.590 ( -1.164 -1.277 0.953) 1.974 6.607 ( 1.255 -1.889 -0.201) 2.277 6.771 ( -4.657 -1.324 0.360) 4.855 7.404 ( 0.484 1.281 1.105) 1.760 7.420 ( -0.263 1.163 0.929) 1.512 7.571 ( 1.678 0.982 -3.316) 3.844 7.619 ( -0.563 0.575 -4.189) 4.265 10.078 ( 1.032 1.184 1.350) 2.071 10.122 ( 0.023 -1.000 0.384) 1.072 10.128 ( -1.490 0.892 0.508) 1.810 10.155 ( -1.265 -0.135 0.102) 1.276 10.212 ( 0.600 -0.583 -0.704) 1.094 10.219 ( 0.070 -0.045 -1.217) 1.220 10.244 ( 2.861 -1.421 -1.337) 3.463 10.345 ( -1.798 -0.296 -2.551) 3.135 ======================= Grid point 112 (45/60) ======================= q-point: (-0.50 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -3.345 -1.060 -0.099) 3.511 0.650 ( 3.345 -1.060 -0.099) 3.511 0.844 ( -2.232 1.004 -4.404) 5.038 0.844 ( 2.232 1.004 -4.404) 5.038 1.030 ( -1.299 2.225 0.470) 2.619 1.030 ( 1.299 2.225 0.470) 2.619 1.061 ( -3.259 -0.683 -1.570) 3.682 1.061 ( 3.259 -0.683 -1.570) 3.682 1.177 ( -5.797 2.811 0.789) 6.490 1.177 ( 5.797 2.811 0.789) 6.490 1.283 ( -2.171 3.982 -1.438) 4.758 1.283 ( 2.171 3.982 -1.438) 4.758 1.344 ( -2.635 -3.022 -0.034) 4.010 1.344 ( 2.635 -3.022 -0.034) 4.010 1.434 ( -1.517 -4.229 -2.326) 5.059 1.434 ( 1.517 -4.229 -2.326) 5.059 1.632 ( -2.143 0.936 0.240) 2.351 1.632 ( 2.143 0.936 0.240) 2.351 1.724 ( -2.436 -3.566 3.799) 5.752 1.724 ( 2.436 -3.566 3.799) 5.752 1.802 ( -1.558 -0.649 2.281) 2.837 1.802 ( 1.558 -0.649 2.281) 2.837 1.907 ( -1.768 0.673 6.329) 6.606 1.907 ( 1.768 0.673 6.329) 6.606 2.024 ( -0.783 -0.173 -0.649) 1.031 2.024 ( 0.783 -0.173 -0.649) 1.031 2.175 ( -0.985 1.286 0.579) 1.720 2.175 ( 0.985 1.286 0.579) 1.720 2.197 ( -1.954 -0.612 1.539) 2.561 2.197 ( 1.954 -0.612 1.539) 2.561 2.356 ( -5.468 -0.492 0.592) 5.522 2.356 ( 5.468 -0.492 0.592) 5.522 2.509 ( -0.891 0.073 3.004) 3.134 2.509 ( 0.891 0.073 3.004) 3.134 3.020 ( -2.063 -0.129 -11.111) 11.302 3.020 ( 2.063 -0.129 -11.111) 11.302 5.532 ( -2.439 2.095 3.056) 4.436 5.532 ( 2.439 2.095 3.056) 4.436 5.893 ( -4.581 0.545 -9.072) 10.178 5.893 ( 4.581 0.545 -9.072) 10.178 6.054 ( -0.627 -1.664 6.440) 6.681 6.054 ( 0.627 -1.664 6.440) 6.681 6.329 ( -0.564 -0.265 -1.987) 2.082 6.329 ( 0.564 -0.265 -1.987) 2.082 6.534 ( -3.451 -3.266 2.316) 5.286 6.534 ( 3.451 -3.266 2.316) 5.286 6.676 ( -5.063 -0.876 -0.077) 5.138 6.676 ( 5.063 -0.876 -0.077) 5.138 7.413 ( -0.507 1.236 1.015) 1.678 7.413 ( 0.507 1.236 1.015) 1.678 7.601 ( -1.403 0.710 -3.879) 4.186 7.601 ( 1.403 0.710 -3.879) 4.186 10.101 ( -1.371 1.542 1.013) 2.299 10.101 ( 1.371 1.542 1.013) 2.299 10.132 ( -0.960 -1.434 0.222) 1.740 10.132 ( 0.960 -1.434 0.222) 1.740 10.218 ( -0.126 -0.225 -0.893) 0.930 10.218 ( 0.126 -0.225 -0.893) 0.930 10.300 ( -2.989 -0.593 -2.078) 3.688 10.300 ( 2.989 -0.593 -2.078) 3.688 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.480 ( 0.000 0.000 4.886) 4.886 0.585 ( 0.000 0.000 -1.525) 1.525 0.771 ( 0.000 0.000 2.431) 2.431 0.900 ( 0.000 0.000 -3.971) 3.971 0.948 ( 0.000 0.000 2.012) 2.012 0.996 ( 0.000 0.000 1.058) 1.058 1.081 ( 0.000 0.000 3.927) 3.927 1.087 ( 0.000 0.000 2.349) 2.349 1.091 ( 0.000 0.000 0.788) 0.788 1.106 ( 0.000 0.000 0.796) 0.796 1.177 ( 0.000 0.000 -1.151) 1.151 1.202 ( 0.000 0.000 -4.137) 4.137 1.488 ( 0.000 0.000 3.949) 3.949 1.545 ( 0.000 0.000 2.208) 2.208 1.557 ( 0.000 0.000 -2.833) 2.833 1.591 ( 0.000 0.000 -2.412) 2.412 1.643 ( 0.000 0.000 4.818) 4.818 1.686 ( 0.000 0.000 0.099) 0.099 1.821 ( 0.000 0.000 4.338) 4.338 1.853 ( 0.000 0.000 3.266) 3.266 1.888 ( 0.000 0.000 -1.636) 1.636 1.901 ( 0.000 0.000 2.301) 2.301 1.917 ( 0.000 0.000 -2.935) 2.935 1.975 ( 0.000 0.000 0.893) 0.893 2.010 ( 0.000 0.000 -1.962) 1.962 2.030 ( 0.000 0.000 -8.227) 8.227 2.034 ( 0.000 0.000 2.723) 2.723 2.081 ( 0.000 0.000 -1.798) 1.798 2.160 ( 0.000 0.000 3.393) 3.393 2.221 ( 0.000 0.000 -2.410) 2.410 2.383 ( 0.000 0.000 14.801) 14.801 2.443 ( 0.000 0.000 1.239) 1.239 2.479 ( 0.000 0.000 -2.334) 2.334 2.709 ( 0.000 0.000 -16.313) 16.313 2.771 ( 0.000 0.000 4.556) 4.556 2.906 ( 0.000 0.000 -8.345) 8.345 5.331 ( 0.000 0.000 8.596) 8.596 5.512 ( 0.000 0.000 -8.777) 8.777 5.520 ( 0.000 0.000 9.128) 9.128 5.695 ( 0.000 0.000 -7.996) 7.996 6.490 ( 0.000 0.000 5.241) 5.241 6.579 ( 0.000 0.000 -3.329) 3.329 6.591 ( 0.000 0.000 5.596) 5.596 6.723 ( 0.000 0.000 -7.194) 7.194 6.764 ( 0.000 0.000 6.964) 6.964 6.827 ( 0.000 0.000 0.281) 0.281 6.921 ( 0.000 0.000 5.296) 5.296 7.012 ( 0.000 0.000 -3.209) 3.209 7.137 ( 0.000 0.000 1.959) 1.959 7.211 ( 0.000 0.000 -4.684) 4.684 7.363 ( 0.000 0.000 -0.055) 0.055 7.379 ( 0.000 0.000 -1.524) 1.524 10.054 ( 0.000 0.000 1.817) 1.817 10.096 ( 0.000 0.000 -2.325) 2.325 10.122 ( 0.000 0.000 2.134) 2.134 10.167 ( 0.000 0.000 -2.210) 2.210 10.201 ( 0.000 0.000 0.259) 0.259 10.207 ( 0.000 0.000 -0.337) 0.337 10.322 ( 0.000 0.000 2.078) 2.078 10.372 ( 0.000 0.000 -2.748) 2.748 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 10.478 0.000 4.389) 11.360 0.665 ( 7.716 0.000 0.890) 7.767 0.808 ( 3.346 0.000 0.930) 3.473 0.920 ( 1.573 0.000 0.318) 1.604 0.923 ( -2.697 0.000 -0.270) 2.710 0.970 ( -2.517 0.000 2.243) 3.372 1.053 ( -4.408 0.000 -0.642) 4.455 1.067 ( -3.289 0.000 -1.704) 3.704 1.097 ( 1.379 0.000 2.786) 3.108 1.109 ( 0.387 0.000 0.853) 0.937 1.145 ( -1.749 0.000 0.230) 1.764 1.164 ( -3.176 0.000 -2.857) 4.271 1.466 ( -1.596 0.000 3.808) 4.129 1.502 ( -3.121 0.000 3.399) 4.614 1.527 ( -1.542 0.000 -2.289) 2.761 1.566 ( -2.077 0.000 -2.934) 3.595 1.696 ( 3.964 0.000 4.699) 6.147 1.752 ( 4.973 0.000 -0.747) 5.029 1.805 ( -1.683 0.000 4.367) 4.680 1.866 ( 0.142 0.000 0.487) 0.508 1.883 ( 0.481 0.000 0.785) 0.920 1.934 ( 1.905 0.000 -2.364) 3.036 1.948 ( 4.111 0.000 0.880) 4.204 1.953 ( -1.779 0.000 0.620) 1.884 2.005 ( -0.707 0.000 -1.724) 1.863 2.033 ( 0.031 0.000 1.701) 1.701 2.039 ( 0.239 0.000 -2.573) 2.584 2.073 ( -1.067 0.000 -1.027) 1.481 2.196 ( 3.854 0.000 0.161) 3.857 2.227 ( 0.767 0.000 -1.916) 2.064 2.321 ( -4.458 0.000 6.611) 7.973 2.390 ( -4.988 0.000 -1.041) 5.095 2.551 ( 5.679 0.000 3.957) 6.922 2.740 ( -3.369 0.000 4.848) 5.903 2.751 ( 3.848 0.000 -13.614) 14.147 2.884 ( -2.333 0.000 -8.935) 9.234 5.362 ( 3.225 0.000 8.492) 9.083 5.496 ( -2.541 0.000 8.883) 9.240 5.540 ( 2.920 0.000 -8.578) 9.061 5.670 ( -2.671 0.000 -8.022) 8.455 6.497 ( 0.875 0.000 5.050) 5.126 6.566 ( -2.301 0.000 5.061) 5.560 6.585 ( 0.725 0.000 -3.266) 3.345 6.660 ( -3.523 0.000 -2.671) 4.422 6.853 ( 2.375 0.000 1.794) 2.977 6.854 ( 6.226 0.000 1.098) 6.322 6.916 ( -0.626 0.000 5.032) 5.071 7.004 ( -1.164 0.000 -3.224) 3.428 7.149 ( 1.551 0.000 2.717) 3.129 7.231 ( 2.205 0.000 -4.674) 5.168 7.308 ( -5.336 0.000 1.756) 5.618 7.351 ( -2.887 0.000 -2.359) 3.728 10.059 ( 0.573 0.000 1.762) 1.853 10.100 ( 0.417 0.000 -2.243) 2.282 10.102 ( -1.607 0.000 1.743) 2.371 10.138 ( -1.784 0.000 -1.731) 2.486 10.230 ( 2.467 0.000 0.917) 2.632 10.254 ( 3.469 0.000 -1.445) 3.758 10.310 ( -1.347 0.000 1.954) 2.373 10.357 ( -1.623 0.000 -2.649) 3.107 ======================= Grid point 137 (48/60) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -10.652 0.000 4.562) 11.587 0.797 ( 10.652 0.000 4.562) 11.587 0.807 ( -5.750 0.000 4.163) 7.098 0.807 ( 5.750 0.000 4.163) 7.098 0.969 ( -3.439 0.000 -2.923) 4.513 0.969 ( 3.439 0.000 -2.923) 4.513 0.975 ( -4.891 0.000 -4.085) 6.372 0.975 ( 4.891 0.000 -4.085) 6.372 1.123 ( -1.307 0.000 0.601) 1.438 1.123 ( 1.307 0.000 0.601) 1.438 1.124 ( -1.276 0.000 1.170) 1.731 1.124 ( 1.276 0.000 1.170) 1.731 1.459 ( -1.154 0.000 4.012) 4.175 1.459 ( 1.154 0.000 4.012) 4.175 1.529 ( -1.554 0.000 -2.884) 3.276 1.529 ( 1.554 0.000 -2.884) 3.276 1.762 ( -3.104 0.000 4.626) 5.571 1.762 ( 3.104 0.000 4.626) 5.571 1.830 ( -3.362 0.000 -1.545) 3.700 1.830 ( 3.362 0.000 -1.545) 3.700 1.917 ( -2.157 0.000 2.072) 2.991 1.917 ( 2.157 0.000 2.072) 2.991 1.972 ( -1.899 0.000 -2.880) 3.450 1.972 ( 1.899 0.000 -2.880) 3.450 2.032 ( -3.475 0.000 1.125) 3.653 2.032 ( 3.475 0.000 1.125) 3.653 2.036 ( -0.334 0.000 0.927) 0.985 2.036 ( 0.334 0.000 0.927) 0.985 2.255 ( -2.524 0.000 0.699) 2.619 2.255 ( 2.524 0.000 0.699) 2.619 2.288 ( -5.750 0.000 -2.297) 6.192 2.288 ( 5.750 0.000 -2.297) 6.192 2.656 ( -5.517 0.000 5.275) 7.633 2.656 ( 5.517 0.000 5.275) 7.633 2.825 ( -3.912 0.000 -10.668) 11.363 2.825 ( 3.912 0.000 -10.668) 11.363 5.433 ( -4.099 0.000 8.513) 9.448 5.433 ( 4.099 0.000 8.513) 9.448 5.606 ( -3.985 0.000 -8.213) 9.128 5.606 ( 3.985 0.000 -8.213) 9.128 6.524 ( -2.034 0.000 4.806) 5.218 6.524 ( 2.034 0.000 4.806) 5.218 6.609 ( -2.049 0.000 -2.991) 3.626 6.609 ( 2.049 0.000 -2.991) 3.626 6.894 ( -1.847 0.000 3.922) 4.335 6.894 ( 1.847 0.000 3.922) 4.335 6.956 ( -4.352 0.000 -1.938) 4.764 6.956 ( 4.352 0.000 -1.938) 4.764 7.206 ( -4.891 0.000 3.756) 6.167 7.206 ( 4.891 0.000 3.756) 6.167 7.287 ( -3.693 0.000 -3.926) 5.390 7.287 ( 3.693 0.000 -3.926) 5.390 10.075 ( -1.193 0.000 1.661) 2.045 10.075 ( 1.193 0.000 1.661) 2.045 10.113 ( -0.987 0.000 -1.996) 2.227 10.113 ( 0.987 0.000 -1.996) 2.227 10.275 ( -2.344 0.000 1.570) 2.821 10.275 ( 2.344 0.000 1.570) 2.821 10.314 ( -2.977 0.000 -2.252) 3.733 10.314 ( 2.977 0.000 -2.252) 3.733 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 0.000 9.672 3.831) 10.403 0.670 ( 0.000 6.230 3.027) 6.927 0.748 ( 0.000 -0.997 -1.959) 2.198 0.843 ( 0.000 -4.964 -3.554) 6.105 0.935 ( 0.000 -1.245 3.457) 3.675 0.974 ( 0.000 -1.117 1.768) 2.092 1.082 ( 0.000 -0.405 1.295) 1.357 1.108 ( 0.000 0.951 0.918) 1.322 1.108 ( 0.000 1.699 2.250) 2.819 1.116 ( 0.000 1.493 -1.681) 2.248 1.151 ( 0.000 -2.584 -0.648) 2.664 1.180 ( 0.000 -1.860 -3.561) 4.018 1.440 ( 0.000 -4.850 5.083) 7.025 1.532 ( 0.000 -4.534 -3.208) 5.553 1.558 ( 0.000 2.023 1.451) 2.490 1.580 ( 0.000 0.625 -0.645) 0.898 1.635 ( 0.000 -1.167 5.625) 5.744 1.709 ( 0.000 -1.462 -0.711) 1.626 1.765 ( 0.000 1.731 2.149) 2.760 1.810 ( 0.000 -2.299 -2.434) 3.348 1.922 ( 0.000 1.728 -0.108) 1.731 1.938 ( 0.000 2.735 2.254) 3.543 1.979 ( 0.000 0.194 -2.915) 2.921 1.990 ( 0.000 2.172 -0.552) 2.241 2.015 ( 0.000 2.346 1.699) 2.896 2.038 ( 0.000 1.641 0.952) 1.897 2.058 ( 0.000 -1.896 -1.014) 2.150 2.070 ( 0.000 1.304 -3.515) 3.749 2.154 ( 0.000 -0.547 3.074) 3.123 2.219 ( 0.000 -0.292 -2.955) 2.969 2.381 ( 0.000 -0.146 14.569) 14.569 2.454 ( 0.000 1.242 1.086) 1.650 2.478 ( 0.000 0.229 -1.645) 1.661 2.707 ( 0.000 -0.214 -16.112) 16.113 2.744 ( 0.000 -2.542 4.928) 5.545 2.887 ( 0.000 -1.704 -8.781) 8.945 5.358 ( 0.000 2.597 8.176) 8.579 5.534 ( 0.000 2.041 -8.724) 8.960 5.539 ( 0.000 1.880 8.899) 9.096 5.711 ( 0.000 1.481 -7.887) 8.025 6.421 ( 0.000 -5.974 5.169) 7.900 6.497 ( 0.000 -7.343 4.294) 8.507 6.504 ( 0.000 -6.169 -2.825) 6.785 6.587 ( 0.000 -9.287 -4.499) 10.319 6.748 ( 0.000 -2.261 6.770) 7.138 6.828 ( 0.000 -2.265 -1.267) 2.595 6.968 ( 0.000 1.870 4.832) 5.181 7.057 ( 0.000 2.483 -3.320) 4.146 7.201 ( 0.000 5.517 1.869) 5.826 7.268 ( 0.000 4.797 -4.202) 6.377 7.311 ( 0.000 -3.693 2.157) 4.277 7.370 ( 0.000 0.095 -3.547) 3.548 10.056 ( 0.000 0.231 1.773) 1.788 10.097 ( 0.000 0.055 -2.164) 2.164 10.126 ( 0.000 0.396 2.077) 2.114 10.167 ( 0.000 0.114 -1.850) 1.853 10.205 ( 0.000 -0.266 -0.013) 0.266 10.208 ( 0.000 0.464 -0.327) 0.567 10.326 ( 0.000 0.260 1.015) 1.048 10.360 ( 0.000 -1.180 -2.173) 2.473 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.25 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 2.300 3.075 2.877) 4.799 0.735 ( 0.802 -3.092 5.317) 6.203 0.817 ( 8.006 6.338 -3.053) 10.658 0.862 ( 1.898 -3.218 -3.075) 4.839 0.904 ( -1.592 -1.258 5.014) 5.409 0.969 ( -0.891 -0.382 1.159) 1.511 1.022 ( -4.105 -1.724 -1.024) 4.569 1.095 ( -1.315 1.154 -0.601) 1.850 1.112 ( 0.257 1.179 1.459) 1.893 1.138 ( 1.642 2.218 -0.102) 2.761 1.153 ( 0.490 0.426 0.686) 0.945 1.190 ( -1.121 1.433 -3.055) 3.555 1.435 ( -0.469 -3.831 4.519) 5.943 1.483 ( -4.417 -0.749 2.509) 5.135 1.522 ( -1.629 -3.290 -3.088) 4.797 1.529 ( -3.486 -0.077 -1.360) 3.743 1.683 ( 3.426 -0.729 4.717) 5.876 1.744 ( 1.224 -3.504 1.945) 4.190 1.777 ( 1.816 0.990 -0.183) 2.077 1.820 ( 0.638 -1.945 -2.509) 3.238 1.924 ( 0.507 1.207 0.590) 1.436 1.950 ( 0.181 3.036 1.879) 3.575 1.976 ( 0.381 -0.639 -0.419) 0.854 2.000 ( 1.137 2.340 -0.674) 2.687 2.011 ( -0.852 3.357 0.552) 3.507 2.043 ( 0.709 1.043 0.439) 1.336 2.059 ( -0.165 -0.957 -0.917) 1.336 2.064 ( -0.934 0.908 -0.891) 1.578 2.167 ( 2.315 -2.088 -0.620) 3.179 2.252 ( 3.089 1.520 -1.410) 3.720 2.320 ( -4.827 0.198 6.666) 8.232 2.406 ( -4.273 1.532 -0.108) 4.541 2.544 ( 5.116 -0.569 3.904) 6.461 2.715 ( -3.103 -2.312 5.172) 6.459 2.745 ( 3.490 -0.527 -13.598) 14.049 2.867 ( -2.162 -1.540 -9.316) 9.687 5.387 ( 2.970 2.368 8.106) 8.952 5.514 ( -2.476 1.768 8.354) 8.891 5.563 ( 2.789 2.085 -8.228) 8.935 5.687 ( -2.559 1.568 -7.916) 8.465 6.426 ( 0.640 -6.060 4.761) 7.733 6.477 ( -1.697 -6.977 3.826) 8.136 6.514 ( 0.914 -6.073 -2.729) 6.720 6.570 ( -1.627 -7.769 -3.273) 8.586 6.775 ( 2.895 -3.413 4.011) 6.009 6.880 ( 4.133 -2.004 1.886) 4.965 6.930 ( -2.564 -0.528 2.007) 3.299 7.062 ( -0.825 2.305 -1.402) 2.821 7.194 ( -0.291 4.473 1.632) 4.770 7.258 ( -2.358 -0.234 2.370) 3.351 7.300 ( 0.658 3.322 -3.405) 4.802 7.359 ( -1.256 1.218 -3.576) 3.982 10.062 ( 0.613 0.265 1.725) 1.850 10.101 ( 0.467 0.103 -2.069) 2.124 10.106 ( -1.595 0.381 1.631) 2.313 10.141 ( -1.807 0.345 -1.559) 2.412 10.225 ( 2.418 -0.397 0.217) 2.460 10.255 ( 3.022 -0.012 -0.455) 3.056 10.313 ( -1.378 0.130 0.614) 1.514 10.348 ( -1.341 -0.897 -1.990) 2.562 ======================= Grid point 142 (51/60) ======================= q-point: (-0.50 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -6.017 -4.081 3.057) 7.886 0.674 ( 6.017 -4.081 3.057) 7.886 0.887 ( -0.996 -1.512 -0.054) 1.811 0.887 ( 0.996 -1.512 -0.054) 1.811 0.939 ( -2.024 0.665 3.293) 3.922 0.939 ( 2.024 0.665 3.293) 3.922 1.037 ( -5.947 3.019 -2.658) 7.180 1.037 ( 5.947 3.019 -2.658) 7.180 1.125 ( -1.916 2.345 0.130) 3.031 1.125 ( 1.916 2.345 0.130) 3.031 1.166 ( -1.013 2.724 -0.810) 3.018 1.166 ( 1.013 2.724 -0.810) 3.018 1.435 ( -0.883 -2.267 3.670) 4.403 1.435 ( 0.883 -2.267 3.670) 4.403 1.499 ( -0.357 -2.680 -2.526) 3.700 1.499 ( 0.357 -2.680 -2.526) 3.700 1.733 ( -1.910 -1.338 4.033) 4.658 1.733 ( 1.910 -1.338 4.033) 4.658 1.815 ( -1.435 -2.358 -2.284) 3.582 1.815 ( 1.435 -2.358 -2.284) 3.582 1.941 ( -1.011 1.644 2.174) 2.907 1.941 ( 1.011 1.644 2.174) 2.907 1.985 ( -1.099 1.977 -0.873) 2.424 1.985 ( 1.099 1.977 -0.873) 2.424 2.037 ( -1.748 0.946 -0.385) 2.024 2.037 ( 1.748 0.946 -0.385) 2.024 2.055 ( -0.387 0.258 0.697) 0.838 2.055 ( 0.387 0.258 0.697) 0.838 2.233 ( -4.488 -0.859 0.608) 4.609 2.233 ( 4.488 -0.859 0.608) 4.609 2.322 ( -4.512 2.272 -1.003) 5.150 2.322 ( 4.512 2.272 -1.003) 5.150 2.639 ( -5.021 -1.609 5.506) 7.623 2.639 ( 5.021 -1.609 5.506) 7.623 2.813 ( -3.601 -1.093 -10.903) 11.534 2.813 ( 3.601 -1.093 -10.903) 11.534 5.453 ( -3.891 1.967 8.217) 9.302 5.453 ( 3.891 1.967 8.217) 9.302 5.626 ( -3.795 1.825 -8.133) 9.159 5.626 ( 3.795 1.825 -8.133) 9.159 6.446 ( -1.484 -6.411 4.069) 7.737 6.446 ( 1.484 -6.411 4.069) 7.737 6.538 ( -1.660 -6.330 -2.770) 7.107 6.538 ( 1.660 -6.330 -2.770) 7.107 6.843 ( -4.210 -3.147 2.909) 6.008 6.843 ( 4.210 -3.147 2.909) 6.008 6.998 ( -5.621 -0.780 0.510) 5.698 6.998 ( 5.621 -0.780 0.510) 5.698 7.210 ( -2.095 2.528 2.717) 4.262 7.210 ( 2.095 2.528 2.717) 4.262 7.329 ( -1.911 3.510 -4.048) 5.689 7.329 ( 1.911 3.510 -4.048) 5.689 10.079 ( -1.239 0.337 1.628) 2.074 10.079 ( 1.239 0.337 1.628) 2.074 10.115 ( -1.077 0.236 -1.873) 2.173 10.115 ( 1.077 0.236 -1.873) 2.173 10.271 ( -2.198 -0.466 0.916) 2.427 10.271 ( 2.198 -0.466 0.916) 2.427 10.313 ( -2.295 -0.224 -1.721) 2.877 10.313 ( 2.295 -0.224 -1.721) 2.877 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 0.000 -3.384 3.263) 4.701 0.703 ( 0.000 -4.464 -1.622) 4.750 0.821 ( 0.000 6.407 0.884) 6.467 0.858 ( 0.000 6.179 -2.280) 6.587 0.922 ( 0.000 1.477 5.808) 5.993 0.981 ( 0.000 2.150 1.211) 2.468 1.048 ( 0.000 -4.067 -0.030) 4.067 1.055 ( 0.000 -2.017 -2.280) 3.044 1.121 ( 0.000 -1.311 0.360) 1.360 1.128 ( 0.000 0.653 0.160) 0.672 1.171 ( 0.000 1.523 -1.104) 1.881 1.191 ( 0.000 4.252 -3.321) 5.395 1.329 ( 0.000 -5.166 4.246) 6.687 1.406 ( 0.000 -7.204 -2.329) 7.571 1.581 ( 0.000 -1.162 0.857) 1.443 1.595 ( 0.000 0.595 -0.233) 0.639 1.602 ( 0.000 -1.807 4.384) 4.742 1.668 ( 0.000 -1.503 -1.225) 1.939 1.793 ( 0.000 -0.342 -0.447) 0.563 1.820 ( 0.000 1.600 -1.573) 2.243 1.951 ( 0.000 0.861 1.062) 1.367 1.955 ( 0.000 1.377 -0.540) 1.479 1.987 ( 0.000 -1.591 0.955) 1.855 2.023 ( 0.000 1.552 -1.880) 2.438 2.037 ( 0.000 -0.888 1.750) 1.962 2.053 ( 0.000 1.116 0.890) 1.427 2.066 ( 0.000 0.879 1.723) 1.934 2.081 ( 0.000 1.038 0.257) 1.069 2.145 ( 0.000 -0.187 0.777) 0.799 2.201 ( 0.000 -1.473 -3.567) 3.859 2.381 ( 0.000 0.173 14.094) 14.096 2.492 ( 0.000 2.327 1.108) 2.578 2.501 ( 0.000 1.955 -0.605) 2.046 2.683 ( 0.000 -3.267 5.878) 6.725 2.702 ( 0.000 -0.272 -15.453) 15.455 2.848 ( 0.000 -1.870 -9.971) 10.144 5.424 ( 0.000 3.652 7.007) 7.902 5.583 ( 0.000 2.600 -8.328) 8.724 5.590 ( 0.000 3.040 8.052) 8.607 5.747 ( 0.000 1.975 -7.444) 7.701 6.294 ( 0.000 -6.029 4.839) 7.731 6.356 ( 0.000 -6.246 3.646) 7.232 6.377 ( 0.000 -5.977 -2.892) 6.640 6.419 ( 0.000 -6.963 -3.209) 7.667 6.676 ( 0.000 -4.538 4.579) 6.447 6.737 ( 0.000 -6.259 -1.247) 6.382 6.932 ( 0.000 -5.292 4.745) 7.108 7.014 ( 0.000 -6.599 -2.745) 7.147 7.298 ( 0.000 3.883 2.365) 4.546 7.327 ( 0.000 5.113 3.258) 6.062 7.359 ( 0.000 4.259 -3.474) 5.496 7.420 ( 0.000 4.237 -5.458) 6.910 10.064 ( 0.000 0.528 1.685) 1.765 10.100 ( 0.000 0.354 -1.865) 1.898 10.137 ( 0.000 0.652 1.894) 2.003 10.172 ( 0.000 0.313 -1.578) 1.609 10.195 ( 0.000 -0.789 0.649) 1.021 10.212 ( 0.000 -0.160 -0.896) 0.910 10.326 ( 0.000 -0.363 -0.896) 0.967 10.326 ( 0.000 -2.099 -0.845) 2.262 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -0.355 -2.290 3.004) 3.794 0.695 ( -2.449 3.319 1.557) 4.409 0.772 ( 1.365 -1.718 -3.709) 4.310 0.881 ( -1.970 -0.853 3.639) 4.225 0.952 ( 0.664 1.527 2.205) 2.763 0.974 ( -2.258 -1.908 1.961) 3.548 1.008 ( 2.951 5.362 -2.560) 6.634 1.097 ( -0.835 0.075 0.228) 0.868 1.134 ( 3.197 -3.099 -0.176) 4.456 1.155 ( 2.038 -0.116 -0.122) 2.045 1.164 ( 0.916 1.950 -1.416) 2.578 1.218 ( 1.038 2.760 -2.866) 4.112 1.345 ( 1.944 -3.993 3.425) 5.608 1.404 ( 0.287 -5.201 -1.449) 5.407 1.515 ( -5.331 0.802 1.314) 5.549 1.536 ( -4.507 0.240 -0.487) 4.540 1.658 ( 2.833 -2.758 1.801) 4.344 1.686 ( 1.614 -1.296 1.596) 2.614 1.785 ( -0.744 -1.120 -1.392) 1.935 1.802 ( -1.690 0.370 -1.874) 2.550 1.943 ( 0.418 1.035 1.311) 1.722 1.977 ( 0.432 -0.441 2.318) 2.399 1.995 ( 1.259 0.096 0.379) 1.318 2.021 ( -1.258 -0.782 2.486) 2.893 2.035 ( 0.523 0.806 -1.074) 1.441 2.049 ( -0.100 0.451 0.182) 0.497 2.054 ( -0.837 -0.415 0.215) 0.959 2.097 ( -1.094 2.216 -1.918) 3.128 2.144 ( 3.756 0.523 0.066) 3.793 2.264 ( 4.835 -0.464 -1.143) 4.990 2.334 ( -4.301 1.028 7.611) 8.803 2.444 ( -4.096 1.978 0.417) 4.568 2.541 ( 3.257 0.508 3.427) 4.755 2.661 ( -2.311 -2.769 6.098) 7.084 2.735 ( 2.990 -0.345 -13.278) 13.615 2.833 ( -1.646 -1.567 -10.303) 10.551 5.448 ( 2.548 3.483 6.980) 8.206 5.563 ( -2.372 2.972 7.136) 8.086 5.612 ( 2.546 2.580 -7.520) 8.348 5.725 ( -2.349 2.064 -7.479) 8.106 6.299 ( 0.576 -6.024 4.328) 7.440 6.341 ( -1.357 -6.087 3.358) 7.083 6.387 ( 0.902 -6.006 -2.675) 6.637 6.417 ( -0.318 -6.669 -2.617) 7.171 6.693 ( 2.270 -4.821 2.868) 6.051 6.789 ( 4.743 -6.396 1.047) 8.031 6.869 ( -5.197 -5.194 2.061) 7.631 6.995 ( -3.176 -7.448 0.186) 8.099 7.291 ( 0.089 5.192 1.878) 5.522 7.321 ( -0.649 5.220 2.973) 6.042 7.384 ( 1.764 3.969 -3.512) 5.586 7.418 ( -0.245 4.210 -5.125) 6.637 10.070 ( 0.679 0.553 1.635) 1.855 10.105 ( 0.490 0.352 -1.638) 1.745 10.116 ( -1.530 0.629 1.256) 2.077 10.149 ( -1.811 0.403 -1.066) 2.140 10.214 ( 2.222 -0.736 -0.235) 2.352 10.249 ( 2.380 -0.589 0.193) 2.459 10.305 ( -1.536 -1.147 -1.228) 2.277 10.325 ( -0.727 -1.130 -0.837) 1.583 ======================= Grid point 147 (54/60) ======================= q-point: (-0.50 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -1.150 1.717 2.342) 3.123 0.655 ( 1.150 1.717 2.342) 3.123 0.832 ( -3.701 -2.970 -1.537) 4.988 0.832 ( 3.701 -2.970 -1.537) 4.988 0.942 ( -0.629 0.099 3.154) 3.218 0.942 ( 0.629 0.099 3.154) 3.218 1.070 ( -2.227 0.887 -0.476) 2.444 1.070 ( 2.227 0.887 -0.476) 2.444 1.174 ( -0.799 0.644 0.068) 1.029 1.174 ( 0.799 0.644 0.068) 1.029 1.204 ( -2.342 -0.176 -2.332) 3.310 1.204 ( 2.342 -0.176 -2.332) 3.310 1.402 ( -3.669 0.019 2.932) 4.696 1.402 ( 3.669 0.019 2.932) 4.696 1.455 ( -2.815 -0.788 -2.050) 3.570 1.455 ( 2.815 -0.788 -2.050) 3.570 1.698 ( -1.044 -2.633 2.838) 4.010 1.698 ( 1.044 -2.633 2.838) 4.010 1.777 ( -0.469 -0.985 -2.609) 2.828 1.777 ( 0.469 -0.985 -2.609) 2.828 1.964 ( -1.560 0.941 3.473) 3.922 1.964 ( 1.560 0.941 3.473) 3.922 2.013 ( -0.093 -1.966 1.212) 2.312 2.013 ( 0.093 -1.966 1.212) 2.312 2.032 ( -0.358 -0.308 -0.295) 0.556 2.032 ( 0.358 -0.308 -0.295) 0.556 2.072 ( -1.464 2.420 -2.336) 3.669 2.072 ( 1.464 2.420 -2.336) 3.669 2.237 ( -5.639 1.076 2.418) 6.229 2.237 ( 5.639 1.076 2.418) 6.229 2.359 ( -5.030 1.107 -0.666) 5.194 2.359 ( 5.030 1.107 -0.666) 5.194 2.605 ( -3.536 -1.372 6.055) 7.144 2.605 ( 3.536 -1.372 6.055) 7.144 2.791 ( -2.856 -0.883 -11.320) 11.708 2.791 ( 2.856 -0.883 -11.320) 11.708 5.506 ( -3.524 3.165 7.216) 8.632 5.506 ( 3.524 3.165 7.216) 8.632 5.670 ( -3.455 2.303 -7.745) 8.788 5.670 ( 3.455 2.303 -7.745) 8.788 6.315 ( -1.258 -6.005 3.571) 7.099 6.315 ( 1.258 -6.005 3.571) 7.099 6.405 ( -0.946 -6.184 -2.374) 6.691 6.405 ( 0.946 -6.184 -2.374) 6.691 6.761 ( -5.020 -5.020 2.200) 7.432 6.761 ( 5.020 -5.020 2.200) 7.432 6.903 ( -6.129 -7.244 1.228) 9.568 6.903 ( 6.129 -7.244 1.228) 9.568 7.304 ( -1.042 5.484 2.299) 6.037 7.304 ( 1.042 5.484 2.299) 6.037 7.408 ( -0.917 4.119 -4.355) 6.064 7.408 ( 0.917 4.119 -4.355) 6.064 10.088 ( -1.287 0.581 1.507) 2.066 10.088 ( 1.287 0.581 1.507) 2.066 10.122 ( -1.186 0.441 -1.542) 1.995 10.122 ( 1.186 0.441 -1.542) 1.995 10.256 ( -2.016 -1.024 0.306) 2.282 10.256 ( 2.016 -1.024 0.306) 2.282 10.302 ( -1.580 -0.880 -1.264) 2.206 10.302 ( 1.580 -0.880 -1.264) 2.206 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 0.000 -3.435 -0.482) 3.469 0.618 ( 0.000 0.279 -0.974) 1.013 0.838 ( 0.000 -2.217 3.229) 3.917 0.896 ( 0.000 -1.023 -1.547) 1.855 0.970 ( 0.000 1.783 2.551) 3.112 0.995 ( 0.000 -0.056 0.174) 0.183 1.031 ( 0.000 -3.771 -0.880) 3.872 1.046 ( 0.000 -2.458 -3.234) 4.062 1.126 ( 0.000 6.242 3.887) 7.353 1.186 ( 0.000 5.929 -0.934) 6.002 1.220 ( 0.000 2.731 -0.083) 2.732 1.235 ( 0.000 1.058 -1.730) 2.028 1.282 ( 0.000 -4.022 -1.242) 4.210 1.294 ( 0.000 0.661 -2.015) 2.121 1.526 ( 0.000 -3.576 1.872) 4.037 1.560 ( 0.000 -3.078 -1.595) 3.467 1.575 ( 0.000 -1.175 4.272) 4.431 1.656 ( 0.000 -0.138 -2.162) 2.166 1.777 ( 0.000 -1.493 -0.487) 1.570 1.807 ( 0.000 -2.895 -3.582) 4.606 1.946 ( 0.000 -1.293 4.607) 4.785 1.967 ( 0.000 -0.040 4.545) 4.546 1.985 ( 0.000 -2.019 2.395) 3.132 1.997 ( 0.000 0.692 -0.572) 0.898 2.028 ( 0.000 -2.076 -1.781) 2.735 2.058 ( 0.000 1.465 -2.308) 2.734 2.094 ( 0.000 1.125 3.920) 4.079 2.101 ( 0.000 0.283 2.702) 2.717 2.158 ( 0.000 1.350 -2.044) 2.449 2.183 ( 0.000 0.087 -3.076) 3.078 2.392 ( 0.000 0.997 13.222) 13.260 2.529 ( 0.000 1.056 1.738) 2.034 2.539 ( 0.000 1.591 -0.440) 1.650 2.630 ( 0.000 -1.714 7.002) 7.209 2.696 ( 0.000 -0.355 -14.233) 14.238 2.824 ( 0.000 -0.430 -11.374) 11.382 5.491 ( 0.000 2.821 5.461) 6.146 5.627 ( 0.000 1.746 -7.550) 7.749 5.649 ( 0.000 2.668 6.462) 6.991 5.781 ( 0.000 1.297 -6.808) 6.930 6.200 ( 0.000 -3.321 4.637) 5.704 6.256 ( 0.000 -3.785 4.485) 5.869 6.283 ( 0.000 -3.179 -3.468) 4.704 6.322 ( 0.000 -2.832 -2.380) 3.700 6.588 ( 0.000 -3.916 0.996) 4.041 6.603 ( 0.000 -6.677 -0.241) 6.682 6.800 ( 0.000 -6.898 4.077) 8.013 6.872 ( 0.000 -6.518 -2.479) 6.973 7.380 ( 0.000 3.720 2.266) 4.355 7.415 ( 0.000 3.425 2.873) 4.470 7.439 ( 0.000 3.500 -3.303) 4.812 7.495 ( 0.000 2.927 -4.764) 5.591 10.078 ( 0.000 0.922 1.613) 1.858 10.112 ( 0.000 0.832 -1.669) 1.865 10.149 ( 0.000 0.409 1.306) 1.369 10.176 ( 0.000 -0.842 1.328) 1.573 10.176 ( 0.000 -0.047 -1.411) 1.411 10.202 ( 0.000 -0.642 -1.187) 1.350 10.281 ( 0.000 -2.349 0.686) 2.447 10.313 ( 0.000 -0.798 -2.323) 2.456 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.25 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 2.432 -0.697 -0.137) 2.534 0.668 ( 4.115 -1.636 -0.165) 4.431 0.792 ( -4.048 -1.022 0.576) 4.214 0.860 ( -3.634 -1.632 0.049) 3.984 0.957 ( -0.093 2.395 0.755) 2.513 1.011 ( -0.512 -0.803 0.817) 1.255 1.043 ( 1.145 2.032 -0.520) 2.389 1.071 ( 1.704 -1.439 -1.174) 2.521 1.129 ( 1.247 0.222 0.989) 1.607 1.159 ( -1.764 2.083 -1.123) 2.951 1.200 ( -0.593 1.729 0.436) 1.879 1.227 ( -2.417 -1.010 -2.159) 3.394 1.312 ( 5.045 1.187 -0.385) 5.197 1.365 ( 4.442 0.149 -0.573) 4.482 1.508 ( -2.813 -2.491 1.122) 3.922 1.512 ( -3.501 -1.970 0.630) 4.066 1.598 ( 2.430 -2.262 -0.004) 3.320 1.673 ( 0.690 -0.337 1.537) 1.718 1.755 ( -1.622 -1.660 -3.090) 3.865 1.786 ( -1.987 -2.792 -2.260) 4.105 1.932 ( -0.565 -1.382 3.286) 3.609 1.966 ( -1.228 -1.988 3.345) 4.080 1.982 ( 0.604 -0.193 4.052) 4.102 2.002 ( 0.178 0.393 1.089) 1.172 2.027 ( -0.073 -1.438 -0.894) 1.695 2.054 ( -1.640 0.903 3.712) 4.157 2.082 ( 1.689 1.607 -3.196) 3.956 2.140 ( -0.594 1.873 -2.297) 3.023 2.165 ( 4.158 0.869 1.652) 4.558 2.247 ( 5.561 -0.810 -1.611) 5.846 2.353 ( -3.974 0.893 8.277) 9.225 2.471 ( -5.197 0.457 0.098) 5.218 2.559 ( 1.679 1.033 3.169) 3.732 2.620 ( -1.062 -1.095 7.019) 7.182 2.732 ( 2.936 -0.106 -12.258) 12.605 2.813 ( -1.173 -0.325 -11.320) 11.386 5.513 ( 2.378 2.812 5.451) 6.578 5.622 ( -2.121 2.697 5.070) 6.122 5.655 ( 2.139 1.627 -6.353) 6.898 5.760 ( -2.216 1.323 -6.875) 7.343 6.205 ( 0.602 -3.288 4.307) 5.452 6.245 ( -1.112 -3.551 4.223) 5.628 6.293 ( 0.918 -3.213 -2.985) 4.481 6.321 ( -0.283 -3.029 -2.238) 3.777 6.597 ( 2.000 -4.487 0.465) 4.934 6.655 ( 4.463 -6.359 0.832) 7.814 6.752 ( -4.442 -5.840 2.213) 7.664 6.840 ( -3.529 -7.075 -0.665) 7.934 7.385 ( 0.581 3.893 2.194) 4.506 7.411 ( -0.453 3.539 2.767) 4.515 7.456 ( 1.438 3.110 -3.492) 4.892 7.492 ( -0.373 2.892 -4.596) 5.442 10.084 ( 0.676 0.900 1.477) 1.857 10.115 ( 0.234 0.631 -1.028) 1.228 10.130 ( -1.259 0.752 0.394) 1.519 10.153 ( -1.458 -0.208 -0.117) 1.478 10.200 ( 1.817 -0.518 -0.443) 1.940 10.232 ( 1.921 -1.074 0.093) 2.202 10.270 ( -0.907 -2.008 -0.152) 2.208 10.304 ( -0.968 -1.028 -1.898) 2.365 ======================= Grid point 152 (57/60) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -3.700 0.210 1.515) 4.004 0.689 ( 3.700 0.210 1.515) 4.004 0.779 ( -4.451 -2.161 -1.934) 5.312 0.779 ( 4.451 -2.161 -1.934) 5.312 0.980 ( -2.338 4.036 2.147) 5.135 0.980 ( 2.338 4.036 2.147) 5.135 1.064 ( -1.846 -1.527 -1.750) 2.967 1.064 ( 1.846 -1.527 -1.750) 2.967 1.163 ( -0.878 -1.073 0.179) 1.398 1.163 ( 0.878 -1.073 0.179) 1.398 1.187 ( -1.889 0.826 -1.372) 2.477 1.187 ( 1.889 0.826 -1.372) 2.477 1.404 ( -4.113 -0.636 1.465) 4.413 1.404 ( 4.113 -0.636 1.465) 4.413 1.460 ( -2.748 -0.643 -1.106) 3.031 1.460 ( 2.748 -0.643 -1.106) 3.031 1.650 ( -2.850 -1.545 1.391) 3.528 1.650 ( 2.850 -1.545 1.391) 3.528 1.752 ( -1.321 -1.988 -2.735) 3.630 1.752 ( 1.321 -1.988 -2.735) 3.630 1.938 ( -1.212 -2.504 2.667) 3.853 1.938 ( 1.212 -2.504 2.667) 3.853 1.998 ( -0.697 0.902 4.212) 4.363 1.998 ( 0.697 0.902 4.212) 4.363 2.030 ( -0.684 -0.262 0.762) 1.057 2.030 ( 0.684 -0.262 0.762) 1.057 2.116 ( -1.759 1.771 -3.149) 4.018 2.116 ( 1.759 1.771 -3.149) 4.018 2.260 ( -5.586 0.961 3.495) 6.659 2.260 ( 5.586 0.961 3.495) 6.659 2.362 ( -6.411 -0.610 -1.003) 6.518 2.362 ( 6.411 -0.610 -1.003) 6.518 2.593 ( -1.842 0.066 6.358) 6.619 2.593 ( 1.842 0.066 6.358) 6.619 2.781 ( -2.335 -0.125 -11.372) 11.610 2.781 ( 2.335 -0.125 -11.372) 11.610 5.568 ( -3.349 2.779 5.668) 7.146 5.568 ( 3.349 2.779 5.668) 7.146 5.708 ( -3.227 1.415 -7.157) 7.977 5.708 ( 3.227 1.415 -7.157) 7.977 6.222 ( -1.220 -3.310 4.039) 5.363 6.222 ( 1.220 -3.310 4.039) 5.363 6.310 ( -0.833 -3.216 -2.369) 4.080 6.310 ( 0.833 -3.216 -2.369) 4.080 6.660 ( -4.553 -4.731 1.168) 6.669 6.660 ( 4.553 -4.731 1.168) 6.669 6.754 ( -5.408 -7.017 0.482) 8.872 6.754 ( 5.408 -7.017 0.482) 8.872 7.399 ( -0.799 3.771 2.467) 4.577 7.399 ( 0.799 3.771 2.467) 4.577 7.480 ( -1.040 2.870 -4.111) 5.120 7.480 ( 1.040 2.870 -4.111) 5.120 10.102 ( -1.182 0.787 1.208) 1.864 10.102 ( 1.182 0.787 1.208) 1.864 10.131 ( -0.910 0.417 -1.024) 1.431 10.131 ( 0.910 0.417 -1.024) 1.431 10.233 ( -1.636 -1.161 0.429) 2.051 10.233 ( 1.636 -1.161 0.429) 2.051 10.279 ( -1.661 -1.336 -1.457) 2.582 10.279 ( 1.661 -1.336 -1.457) 2.582 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.000 -0.578 2.447) 2.514 0.664 ( 0.000 3.170 -5.488) 6.338 0.803 ( 0.000 -0.786 3.500) 3.587 0.873 ( 0.000 -0.524 -2.976) 3.021 0.937 ( 0.000 -3.379 -0.235) 3.387 0.944 ( 0.000 -5.217 -1.536) 5.439 1.010 ( 0.000 0.646 1.652) 1.774 1.052 ( 0.000 5.134 -1.719) 5.415 1.181 ( 0.000 0.387 1.272) 1.329 1.225 ( 0.000 -0.334 -2.555) 2.577 1.239 ( 0.000 -4.917 0.280) 4.925 1.267 ( 0.000 0.747 -2.104) 2.232 1.306 ( 0.000 3.348 2.069) 3.936 1.339 ( 0.000 5.268 -1.528) 5.485 1.474 ( 0.000 -1.055 3.057) 3.234 1.530 ( 0.000 0.149 -2.322) 2.327 1.558 ( 0.000 -0.441 3.961) 3.986 1.657 ( 0.000 0.424 -3.635) 3.659 1.720 ( 0.000 -4.608 -1.310) 4.791 1.735 ( 0.000 -2.000 -1.425) 2.456 1.923 ( 0.000 -0.650 6.464) 6.497 1.944 ( 0.000 -1.154 2.149) 2.440 1.974 ( 0.000 0.373 5.769) 5.781 1.985 ( 0.000 -1.494 -1.897) 2.415 2.011 ( 0.000 0.177 -2.343) 2.349 2.087 ( 0.000 1.117 -3.123) 3.317 2.104 ( 0.000 0.197 4.164) 4.169 2.105 ( 0.000 -0.010 4.463) 4.463 2.181 ( 0.000 0.669 -2.739) 2.819 2.191 ( 0.000 0.318 -2.376) 2.397 2.413 ( 0.000 0.781 12.423) 12.448 2.534 ( 0.000 -0.184 2.330) 2.337 2.560 ( 0.000 0.497 -0.361) 0.614 2.615 ( 0.000 -0.168 7.681) 7.683 2.689 ( 0.000 -0.275 -13.647) 13.650 2.825 ( 0.000 0.242 -11.973) 11.976 5.529 ( 0.000 0.987 4.332) 4.443 5.650 ( 0.000 0.555 -6.974) 6.996 5.687 ( 0.000 0.993 4.930) 5.029 5.798 ( 0.000 0.403 -6.548) 6.561 6.158 ( 0.000 -0.984 5.264) 5.355 6.205 ( 0.000 -1.278 5.660) 5.802 6.251 ( 0.000 -0.403 -3.774) 3.796 6.295 ( 0.000 -0.329 -3.103) 3.120 6.497 ( 0.000 -3.246 1.494) 3.573 6.533 ( 0.000 -1.452 -2.014) 2.483 6.693 ( 0.000 -3.137 4.441) 5.437 6.780 ( 0.000 -2.402 -3.528) 4.268 7.432 ( 0.000 1.369 2.199) 2.591 7.460 ( 0.000 1.126 2.768) 2.988 7.488 ( 0.000 1.293 -3.114) 3.372 7.533 ( 0.000 0.927 -4.203) 4.304 10.099 ( 0.000 1.098 1.589) 1.931 10.132 ( 0.000 1.046 -1.559) 1.878 10.137 ( 0.000 -1.165 1.082) 1.590 10.165 ( 0.000 -0.946 -1.585) 1.845 10.179 ( 0.000 0.698 0.648) 0.952 10.195 ( 0.000 -0.119 -0.995) 1.002 10.240 ( 0.000 -1.441 2.444) 2.837 10.300 ( 0.000 -0.386 -3.122) 3.146 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.25 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 2.890 -0.888 2.355) 3.832 0.685 ( 1.972 2.116 -4.656) 5.481 0.754 ( -3.842 -1.845 1.324) 4.463 0.812 ( -4.140 -2.322 -2.781) 5.501 0.971 ( 3.292 -1.213 -0.685) 3.574 1.001 ( 2.195 -1.483 -0.547) 2.705 1.057 ( 4.652 0.388 1.045) 4.783 1.075 ( 0.734 3.918 -0.160) 3.989 1.140 ( -2.656 0.547 0.579) 2.773 1.184 ( 0.137 0.122 -1.512) 1.523 1.266 ( -1.828 4.197 -0.148) 4.580 1.281 ( 0.208 1.500 -0.899) 1.761 1.308 ( 2.601 -1.361 -0.265) 2.947 1.352 ( 0.846 0.697 -0.467) 1.192 1.441 ( -3.276 -2.942 0.993) 4.514 1.462 ( -5.078 -3.011 0.225) 5.908 1.595 ( 2.702 1.634 0.717) 3.238 1.669 ( 0.565 -0.324 -0.530) 0.839 1.703 ( -1.156 -3.945 -1.181) 4.277 1.728 ( -0.944 -0.946 -2.369) 2.720 1.912 ( -0.409 -0.502 6.000) 6.034 1.935 ( -1.072 -0.508 3.065) 3.286 1.986 ( 0.472 -0.786 0.135) 0.927 1.997 ( 1.944 -0.085 4.562) 4.960 2.007 ( -0.495 -0.075 -2.286) 2.340 2.072 ( -1.628 0.639 5.750) 6.010 2.106 ( 1.737 0.744 -4.066) 4.483 2.166 ( 1.626 0.645 0.206) 1.762 2.172 ( 2.202 0.058 0.336) 2.228 2.239 ( 4.790 -0.089 -2.166) 5.258 2.369 ( -4.375 0.538 8.399) 9.485 2.468 ( -5.934 -0.376 -0.249) 5.952 2.576 ( 1.339 0.495 3.301) 3.596 2.612 ( -0.392 -0.052 7.299) 7.310 2.729 ( 3.212 -0.092 -11.481) 11.922 2.815 ( -1.187 0.193 -11.688) 11.750 5.552 ( 2.417 1.014 4.347) 5.076 5.662 ( -1.832 1.225 3.270) 3.944 5.674 ( 1.721 0.283 -5.499) 5.769 5.777 ( -2.217 0.381 -6.681) 7.050 6.164 ( 0.671 -0.931 5.292) 5.415 6.198 ( -0.770 -1.161 5.585) 5.756 6.259 ( 0.761 -0.521 -3.638) 3.753 6.290 ( -0.595 -0.446 -3.182) 3.268 6.522 ( 2.660 -2.608 1.639) 4.070 6.567 ( 3.584 -2.077 -1.694) 4.475 6.660 ( -3.282 -2.787 3.767) 5.721 6.741 ( -4.023 -2.570 -2.886) 5.578 7.438 ( 0.580 1.374 2.325) 2.762 7.458 ( -0.280 1.183 2.724) 2.983 7.499 ( 1.045 1.149 -3.391) 3.730 7.530 ( -0.374 0.934 -4.131) 4.252 10.105 ( 0.610 1.138 1.228) 1.782 10.127 ( -0.392 0.428 -0.426) 0.720 10.134 ( -0.282 -0.887 0.557) 1.084 10.148 ( -1.005 0.305 -0.703) 1.264 10.198 ( 0.973 0.278 -0.507) 1.132 10.212 ( 1.921 -0.690 -0.476) 2.096 10.235 ( -0.499 -1.298 1.650) 2.157 10.288 ( -1.308 -0.499 -2.826) 3.154 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -3.949 -1.136 2.160) 4.643 0.668 ( 3.949 -1.136 2.160) 4.643 0.745 ( -3.040 -1.138 -4.623) 5.649 0.745 ( 3.040 -1.138 -4.623) 5.649 1.034 ( -3.453 0.417 0.106) 3.479 1.034 ( 3.453 0.417 0.106) 3.479 1.049 ( -3.229 -0.424 -0.086) 3.257 1.049 ( 3.229 -0.424 -0.086) 3.257 1.194 ( -4.852 5.368 0.698) 7.270 1.194 ( 4.852 5.368 0.698) 7.270 1.248 ( -3.678 3.823 -1.369) 5.479 1.248 ( 3.678 3.823 -1.369) 5.479 1.358 ( -1.630 -3.618 1.080) 4.113 1.358 ( 1.630 -3.618 1.080) 4.113 1.394 ( -0.528 -5.127 -1.527) 5.375 1.394 ( 0.528 -5.127 -1.527) 5.375 1.646 ( -2.664 0.818 1.180) 3.026 1.646 ( 2.664 0.818 1.180) 3.026 1.706 ( -1.180 -1.968 -2.240) 3.207 1.706 ( 1.180 -1.968 -2.240) 3.207 1.916 ( -0.788 -0.107 4.922) 4.986 1.916 ( 0.788 -0.107 4.922) 4.986 1.996 ( -0.623 -0.629 -1.499) 1.741 1.996 ( 0.623 -0.629 -1.499) 1.741 2.037 ( -2.177 0.581 5.704) 6.133 2.037 ( 2.177 0.581 5.704) 6.133 2.141 ( -1.865 0.705 -3.582) 4.100 2.141 ( 1.865 0.705 -3.582) 4.100 2.272 ( -5.883 0.237 4.567) 7.452 2.272 ( 5.883 0.237 4.567) 7.452 2.348 ( -6.716 -0.483 -1.650) 6.933 2.348 ( 6.716 -0.483 -1.650) 6.933 2.598 ( -1.050 0.262 6.279) 6.371 2.598 ( 1.050 0.262 6.279) 6.371 2.782 ( -2.401 0.075 -11.158) 11.413 2.782 ( 2.401 0.075 -11.158) 11.413 5.608 ( -3.385 1.065 4.477) 5.713 5.608 ( 3.385 1.065 4.477) 5.713 5.725 ( -3.161 0.371 -6.907) 7.605 5.725 ( 3.161 0.371 -6.907) 7.605 6.181 ( -1.035 -0.968 5.419) 5.601 6.181 ( 1.035 -0.968 5.419) 5.601 6.275 ( -0.926 -0.593 -3.385) 3.560 6.275 ( 0.926 -0.593 -3.385) 3.560 6.587 ( -4.188 -2.223 2.569) 5.393 6.587 ( 4.188 -2.223 2.569) 5.393 6.652 ( -5.192 -2.705 -1.949) 6.170 6.652 ( 5.192 -2.705 -1.949) 6.170 7.450 ( -0.585 1.295 2.570) 2.936 7.450 ( 0.585 1.295 2.570) 2.936 7.519 ( -0.910 0.988 -3.861) 4.087 7.519 ( 0.910 0.988 -3.861) 4.087 10.118 ( -0.676 0.812 0.680) 1.256 10.118 ( 0.676 0.812 0.680) 1.256 10.134 ( -0.440 -0.246 -0.256) 0.566 10.134 ( 0.440 -0.246 -0.256) 0.566 10.216 ( -0.982 -0.372 0.864) 1.359 10.216 ( 0.982 -0.372 0.864) 1.359 10.255 ( -2.125 -0.811 -2.042) 3.056 10.255 ( 2.125 -0.811 -2.042) 3.056 =================== 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 3/15120 10.0 33.317 32.243 28.415 0.000 0.000 0.000 3/15120 20.0 7.454 8.438 7.010 0.000 0.000 -0.000 3/15120 30.0 3.800 4.555 3.892 0.000 0.000 -0.000 3/15120 40.0 2.567 3.144 2.824 0.000 0.000 -0.000 3/15120 50.0 1.956 2.419 2.269 0.000 0.000 -0.000 3/15120 60.0 1.587 1.975 1.914 0.000 0.000 -0.000 3/15120 70.0 1.339 1.674 1.661 0.000 0.000 -0.000 3/15120 80.0 1.160 1.456 1.469 0.000 0.000 -0.000 3/15120 90.0 1.025 1.290 1.318 0.000 0.000 -0.000 3/15120 100.0 0.918 1.160 1.196 0.000 0.000 -0.000 3/15120 110.0 0.833 1.054 1.095 0.000 0.000 -0.000 3/15120 120.0 0.762 0.967 1.010 0.000 0.000 -0.000 3/15120 130.0 0.703 0.893 0.937 0.000 0.000 -0.000 3/15120 140.0 0.653 0.831 0.875 0.000 0.000 -0.000 3/15120 150.0 0.609 0.777 0.820 0.000 0.000 -0.000 3/15120 160.0 0.572 0.729 0.772 0.000 0.000 -0.000 3/15120 170.0 0.538 0.687 0.729 0.000 0.000 -0.000 3/15120 180.0 0.509 0.650 0.691 0.000 0.000 -0.000 3/15120 190.0 0.482 0.617 0.657 0.000 0.000 -0.000 3/15120 200.0 0.459 0.587 0.626 0.000 0.000 -0.000 3/15120 210.0 0.437 0.560 0.598 0.000 0.000 -0.000 3/15120 220.0 0.418 0.535 0.572 0.000 0.000 -0.000 3/15120 230.0 0.400 0.513 0.549 0.000 0.000 -0.000 3/15120 240.0 0.384 0.492 0.527 0.000 0.000 -0.000 3/15120 250.0 0.369 0.473 0.507 0.000 0.000 -0.000 3/15120 260.0 0.355 0.455 0.489 0.000 0.000 -0.000 3/15120 270.0 0.343 0.439 0.472 0.000 0.000 -0.000 3/15120 280.0 0.331 0.424 0.456 0.000 0.000 -0.000 3/15120 290.0 0.320 0.410 0.441 0.000 0.000 -0.000 3/15120 300.0 0.309 0.397 0.427 0.000 0.000 -0.000 3/15120 310.0 0.300 0.384 0.414 0.000 0.000 -0.000 3/15120 320.0 0.291 0.373 0.401 0.000 0.000 -0.000 3/15120 330.0 0.282 0.362 0.390 0.000 0.000 -0.000 3/15120 340.0 0.274 0.351 0.379 0.000 0.000 -0.000 3/15120 350.0 0.267 0.342 0.369 0.000 0.000 -0.000 3/15120 360.0 0.259 0.332 0.359 0.000 0.000 -0.000 3/15120 370.0 0.253 0.324 0.350 0.000 0.000 -0.000 3/15120 380.0 0.246 0.316 0.341 0.000 0.000 -0.000 3/15120 390.0 0.240 0.308 0.333 0.000 0.000 -0.000 3/15120 400.0 0.234 0.300 0.325 0.000 0.000 -0.000 3/15120 410.0 0.229 0.293 0.317 0.000 0.000 -0.000 3/15120 420.0 0.224 0.286 0.310 0.000 0.000 -0.000 3/15120 430.0 0.219 0.280 0.303 0.000 0.000 -0.000 3/15120 440.0 0.214 0.274 0.297 0.000 0.000 -0.000 3/15120 450.0 0.209 0.268 0.290 0.000 0.000 -0.000 3/15120 460.0 0.205 0.262 0.284 0.000 0.000 -0.000 3/15120 470.0 0.201 0.257 0.279 0.000 0.000 -0.000 3/15120 480.0 0.197 0.252 0.273 0.000 0.000 -0.000 3/15120 490.0 0.193 0.247 0.268 0.000 0.000 -0.000 3/15120 500.0 0.189 0.242 0.263 0.000 0.000 -0.000 3/15120 510.0 0.186 0.237 0.258 0.000 0.000 -0.000 3/15120 520.0 0.182 0.233 0.253 0.000 0.000 -0.000 3/15120 530.0 0.179 0.229 0.248 0.000 0.000 -0.000 3/15120 540.0 0.176 0.225 0.244 0.000 0.000 -0.000 3/15120 550.0 0.173 0.221 0.240 0.000 0.000 -0.000 3/15120 560.0 0.170 0.217 0.236 0.000 0.000 -0.000 3/15120 570.0 0.167 0.213 0.232 0.000 0.000 -0.000 3/15120 580.0 0.164 0.210 0.228 0.000 0.000 -0.000 3/15120 590.0 0.161 0.206 0.224 0.000 0.000 -0.000 3/15120 600.0 0.159 0.203 0.221 0.000 0.000 -0.000 3/15120 610.0 0.156 0.200 0.217 0.000 0.000 -0.000 3/15120 620.0 0.154 0.196 0.214 0.000 0.000 -0.000 3/15120 630.0 0.151 0.193 0.211 0.000 0.000 -0.000 3/15120 640.0 0.149 0.190 0.208 0.000 0.000 -0.000 3/15120 650.0 0.147 0.188 0.205 0.000 0.000 -0.000 3/15120 660.0 0.145 0.185 0.202 0.000 0.000 -0.000 3/15120 670.0 0.143 0.182 0.199 0.000 0.000 -0.000 3/15120 680.0 0.141 0.180 0.196 0.000 0.000 -0.000 3/15120 690.0 0.139 0.177 0.193 0.000 0.000 -0.000 3/15120 700.0 0.137 0.175 0.191 0.000 0.000 -0.000 3/15120 710.0 0.135 0.172 0.188 0.000 0.000 -0.000 3/15120 720.0 0.133 0.170 0.185 0.000 0.000 -0.000 3/15120 730.0 0.132 0.168 0.183 0.000 0.000 -0.000 3/15120 740.0 0.130 0.165 0.181 0.000 0.000 -0.000 3/15120 750.0 0.128 0.163 0.178 0.000 0.000 -0.000 3/15120 760.0 0.127 0.161 0.176 0.000 0.000 -0.000 3/15120 770.0 0.125 0.159 0.174 0.000 0.000 -0.000 3/15120 780.0 0.123 0.157 0.172 0.000 0.000 -0.000 3/15120 790.0 0.122 0.155 0.170 0.000 0.000 -0.000 3/15120 800.0 0.120 0.153 0.168 0.000 0.000 -0.000 3/15120 810.0 0.119 0.152 0.166 0.000 0.000 -0.000 3/15120 820.0 0.118 0.150 0.164 0.000 0.000 -0.000 3/15120 830.0 0.116 0.148 0.162 0.000 0.000 -0.000 3/15120 840.0 0.115 0.146 0.160 0.000 0.000 -0.000 3/15120 850.0 0.114 0.145 0.158 0.000 0.000 -0.000 3/15120 860.0 0.112 0.143 0.157 0.000 0.000 -0.000 3/15120 870.0 0.111 0.141 0.155 0.000 0.000 -0.000 3/15120 880.0 0.110 0.140 0.153 0.000 0.000 -0.000 3/15120 890.0 0.109 0.138 0.151 0.000 0.000 -0.000 3/15120 900.0 0.108 0.137 0.150 0.000 0.000 -0.000 3/15120 910.0 0.106 0.135 0.148 0.000 0.000 -0.000 3/15120 920.0 0.105 0.134 0.147 0.000 0.000 -0.000 3/15120 930.0 0.104 0.133 0.145 0.000 0.000 -0.000 3/15120 940.0 0.103 0.131 0.144 0.000 0.000 -0.000 3/15120 950.0 0.102 0.130 0.142 0.000 0.000 -0.000 3/15120 960.0 0.101 0.128 0.141 0.000 0.000 -0.000 3/15120 970.0 0.100 0.127 0.140 0.000 0.000 -0.000 3/15120 980.0 0.099 0.126 0.138 0.000 0.000 -0.000 3/15120 990.0 0.098 0.125 0.137 0.000 0.000 -0.000 3/15120 1000.0 0.097 0.124 0.136 0.000 0.000 -0.000 3/15120 Thermal conductivity related properties were written into "kappa-m497.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:19:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|