----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:04:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.015144161118593 2.318144562256968 3.279500626666663 b -4.015144161118584 2.318144562256968 3.279500626666663 c 0.000000000000004 -4.636289124513944 3.279500626666663 Atomic positions (fractional): *1 Li 0.25000000000000 0.25000000000000 0.25000000000000 6.941 2 Li 0.75000000000000 0.75000000000000 0.75000000000000 6.941 *3 Li 0.87025575769300 0.25000000000000 0.62974424230700 6.941 4 Li 0.25000000000000 0.62974424230701 0.87025575769300 6.941 5 Li 0.62974424230700 0.87025575769300 0.25000000000000 6.941 6 Li 0.75000000000000 0.37025575769300 0.12974424230700 6.941 7 Li 0.37025575769300 0.12974424230700 0.75000000000000 6.941 8 Li 0.12974424230700 0.75000000000000 0.37025575769300 6.941 *9 H 0.20985398673293 0.43934785730551 0.54999909525848 1.008 10 H 0.43934785730551 0.54999909525848 0.20985398673293 1.008 11 H 0.54999909525848 0.20985398673293 0.43934785730551 1.008 12 H 0.93934785730551 0.70985398673293 0.04999909525848 1.008 13 H 0.70985398673293 0.04999909525848 0.93934785730551 1.008 14 H 0.04999909525848 0.93934785730551 0.70985398673293 1.008 15 H 0.79014601326707 0.56065214269449 0.45000090474152 1.008 16 H 0.56065214269449 0.45000090474152 0.79014601326707 1.008 17 H 0.45000090474152 0.79014601326707 0.56065214269449 1.008 18 H 0.06065214269449 0.29014601326707 0.95000090474152 1.008 19 H 0.29014601326707 0.95000090474152 0.06065214269449 1.008 20 H 0.95000090474152 0.06065214269449 0.29014601326707 1.008 *21 Ru 0.50000000000000 0.50000000000000 0.50000000000000 101.070 22 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.030288322237176 0.000000000000000 0.000000000000000 b -4.015144161118588 6.954433686770912 0.000000000000000 c 0.000000000000000 0.000000000000000 9.838501879999999 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.91666666666667 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.41666666666667 6.941 > 2 *3 Li 0.62025575769300 0.62025575769300 0.25000000000000 6.941 > 3 4 Li 0.00000000000000 0.37974424230700 0.25000000000000 6.941 > 4 5 Li 0.37974424230700 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.66666666666667 0.95358909102633 0.08333333333333 6.941 > 6 7 Li 0.28692242435966 0.33333333333333 0.08333333333333 6.941 > 7 8 Li 0.04641090897367 0.71307757564034 0.08333333333333 6.941 > 8 9 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 2 11 Li 0.28692242435966 0.95358909102633 0.58333333333333 6.941 > 3 12 Li 0.66666666666667 0.71307757564034 0.58333333333333 6.941 > 4 13 Li 0.04641090897367 0.33333333333333 0.58333333333333 6.941 > 5 14 Li 0.33333333333333 0.28692242435966 0.41666666666667 6.941 > 6 15 Li 0.95358909102633 0.66666666666667 0.41666666666667 6.941 > 7 16 Li 0.71307757564034 0.04641090897367 0.41666666666667 6.941 > 8 17 Li 0.66666666666667 0.33333333333333 0.58333333333333 6.941 > 1 18 Li 0.66666666666667 0.33333333333333 0.08333333333333 6.941 > 2 19 Li 0.95358909102633 0.28692242435966 0.91666666666667 6.941 > 3 20 Li 0.33333333333333 0.04641090897367 0.91666666666667 6.941 > 4 21 Li 0.71307757564034 0.66666666666667 0.91666666666667 6.941 > 5 22 Li 0.00000000000000 0.62025575769300 0.75000000000000 6.941 > 6 23 Li 0.62025575769300 0.00000000000000 0.75000000000000 6.941 > 7 24 Li 0.37974424230700 0.37974424230700 0.75000000000000 6.941 > 8 *25 H 0.14345367363395 0.51640121784049 0.06640031309897 1.008 > 9 26 H 0.37294754420654 0.85654632636605 0.06640031309897 1.008 > 10 27 H 0.48359878215951 0.62705245579346 0.06640031309897 1.008 > 11 28 H 0.70628087753987 0.18306788450716 0.23306697976564 1.008 > 12 29 H 0.47678700696729 0.29371912246013 0.23306697976564 1.008 > 13 30 H 0.81693211549284 0.52321299303271 0.23306697976564 1.008 > 14 31 H 0.52321299303271 0.81693211549284 0.26693302023436 1.008 > 15 32 H 0.29371912246013 0.47678700696729 0.26693302023436 1.008 > 16 33 H 0.18306788450716 0.70628087753987 0.26693302023436 1.008 > 17 34 H 0.96038578912679 0.15026544882618 0.10026635356769 1.008 > 18 35 H 0.18987965969938 0.03961421087320 0.10026635356769 1.008 > 19 36 H 0.84973455117383 0.81012034030062 0.10026635356769 1.008 > 20 37 H 0.81012034030062 0.84973455117383 0.39973364643231 1.008 > 9 38 H 0.03961421087320 0.18987965969938 0.39973364643231 1.008 > 10 39 H 0.15026544882618 0.96038578912679 0.39973364643231 1.008 > 11 40 H 0.37294754420654 0.51640121784049 0.56640031309897 1.008 > 12 41 H 0.14345367363395 0.62705245579346 0.56640031309897 1.008 > 13 42 H 0.48359878215951 0.85654632636605 0.56640031309897 1.008 > 14 43 H 0.18987965969938 0.15026544882618 0.60026635356769 1.008 > 15 44 H 0.96038578912679 0.81012034030062 0.60026635356769 1.008 > 16 45 H 0.84973455117383 0.03961421087320 0.60026635356769 1.008 > 17 46 H 0.62705245579346 0.48359878215951 0.43359968690103 1.008 > 18 47 H 0.85654632636605 0.37294754420654 0.43359968690103 1.008 > 19 48 H 0.51640121784049 0.14345367363395 0.43359968690103 1.008 > 20 49 H 0.47678700696729 0.18306788450716 0.73306697976564 1.008 > 9 50 H 0.70628087753987 0.52321299303271 0.73306697976564 1.008 > 10 51 H 0.81693211549284 0.29371912246013 0.73306697976564 1.008 > 11 52 H 0.03961421087320 0.84973455117383 0.89973364643231 1.008 > 12 53 H 0.81012034030062 0.96038578912679 0.89973364643231 1.008 > 13 54 H 0.15026544882618 0.18987965969938 0.89973364643231 1.008 > 14 55 H 0.85654632636605 0.48359878215951 0.93359968690103 1.008 > 15 56 H 0.62705245579346 0.14345367363395 0.93359968690103 1.008 > 16 57 H 0.51640121784049 0.37294754420654 0.93359968690103 1.008 > 17 58 H 0.29371912246013 0.81693211549284 0.76693302023436 1.008 > 18 59 H 0.52321299303271 0.70628087753987 0.76693302023436 1.008 > 19 60 H 0.18306788450716 0.47678700696729 0.76693302023436 1.008 > 20 *61 Ru 0.33333333333333 0.66666666666667 0.16666666666667 101.070 > 21 62 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 > 22 63 Ru 0.00000000000000 0.00000000000000 0.50000000000000 101.070 > 21 64 Ru 0.66666666666667 0.33333333333333 0.33333333333333 101.070 > 22 65 Ru 0.66666666666667 0.33333333333333 0.83333333333333 101.070 > 21 66 Ru 0.33333333333333 0.66666666666667 0.66666666666667 101.070 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.030288322237176 0.000000000000000 0.000000000000000 b -4.015144161118588 6.954433686770912 0.000000000000000 c 0.000000000000000 0.000000000000000 9.838501879999999 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.91666666666667 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.41666666666667 6.941 > 2 *3 Li 0.62025575769300 0.62025575769300 0.25000000000000 6.941 > 3 4 Li 0.00000000000000 0.37974424230700 0.25000000000000 6.941 > 4 5 Li 0.37974424230700 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.66666666666667 0.95358909102633 0.08333333333333 6.941 > 6 7 Li 0.28692242435966 0.33333333333333 0.08333333333333 6.941 > 7 8 Li 0.04641090897367 0.71307757564034 0.08333333333333 6.941 > 8 9 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 2 11 Li 0.28692242435966 0.95358909102633 0.58333333333333 6.941 > 3 12 Li 0.66666666666667 0.71307757564034 0.58333333333333 6.941 > 4 13 Li 0.04641090897367 0.33333333333333 0.58333333333333 6.941 > 5 14 Li 0.33333333333333 0.28692242435966 0.41666666666667 6.941 > 6 15 Li 0.95358909102633 0.66666666666667 0.41666666666667 6.941 > 7 16 Li 0.71307757564034 0.04641090897367 0.41666666666667 6.941 > 8 17 Li 0.66666666666667 0.33333333333333 0.58333333333333 6.941 > 1 18 Li 0.66666666666667 0.33333333333333 0.08333333333333 6.941 > 2 19 Li 0.95358909102633 0.28692242435966 0.91666666666667 6.941 > 3 20 Li 0.33333333333333 0.04641090897367 0.91666666666667 6.941 > 4 21 Li 0.71307757564034 0.66666666666667 0.91666666666667 6.941 > 5 22 Li 0.00000000000000 0.62025575769300 0.75000000000000 6.941 > 6 23 Li 0.62025575769300 0.00000000000000 0.75000000000000 6.941 > 7 24 Li 0.37974424230700 0.37974424230700 0.75000000000000 6.941 > 8 *25 H 0.14345367363395 0.51640121784049 0.06640031309897 1.008 > 9 26 H 0.37294754420654 0.85654632636605 0.06640031309897 1.008 > 10 27 H 0.48359878215951 0.62705245579346 0.06640031309897 1.008 > 11 28 H 0.70628087753987 0.18306788450716 0.23306697976564 1.008 > 12 29 H 0.47678700696729 0.29371912246013 0.23306697976564 1.008 > 13 30 H 0.81693211549284 0.52321299303271 0.23306697976564 1.008 > 14 31 H 0.52321299303271 0.81693211549284 0.26693302023436 1.008 > 15 32 H 0.29371912246013 0.47678700696729 0.26693302023436 1.008 > 16 33 H 0.18306788450716 0.70628087753987 0.26693302023436 1.008 > 17 34 H 0.96038578912679 0.15026544882618 0.10026635356769 1.008 > 18 35 H 0.18987965969938 0.03961421087320 0.10026635356769 1.008 > 19 36 H 0.84973455117383 0.81012034030062 0.10026635356769 1.008 > 20 37 H 0.81012034030062 0.84973455117383 0.39973364643231 1.008 > 9 38 H 0.03961421087320 0.18987965969938 0.39973364643231 1.008 > 10 39 H 0.15026544882618 0.96038578912679 0.39973364643231 1.008 > 11 40 H 0.37294754420654 0.51640121784049 0.56640031309897 1.008 > 12 41 H 0.14345367363395 0.62705245579346 0.56640031309897 1.008 > 13 42 H 0.48359878215951 0.85654632636605 0.56640031309897 1.008 > 14 43 H 0.18987965969938 0.15026544882618 0.60026635356769 1.008 > 15 44 H 0.96038578912679 0.81012034030062 0.60026635356769 1.008 > 16 45 H 0.84973455117383 0.03961421087320 0.60026635356769 1.008 > 17 46 H 0.62705245579346 0.48359878215951 0.43359968690103 1.008 > 18 47 H 0.85654632636605 0.37294754420654 0.43359968690103 1.008 > 19 48 H 0.51640121784049 0.14345367363395 0.43359968690103 1.008 > 20 49 H 0.47678700696729 0.18306788450716 0.73306697976564 1.008 > 9 50 H 0.70628087753987 0.52321299303271 0.73306697976564 1.008 > 10 51 H 0.81693211549284 0.29371912246013 0.73306697976564 1.008 > 11 52 H 0.03961421087320 0.84973455117383 0.89973364643231 1.008 > 12 53 H 0.81012034030062 0.96038578912679 0.89973364643231 1.008 > 13 54 H 0.15026544882618 0.18987965969938 0.89973364643231 1.008 > 14 55 H 0.85654632636605 0.48359878215951 0.93359968690103 1.008 > 15 56 H 0.62705245579346 0.14345367363395 0.93359968690103 1.008 > 16 57 H 0.51640121784049 0.37294754420654 0.93359968690103 1.008 > 17 58 H 0.29371912246013 0.81693211549284 0.76693302023436 1.008 > 18 59 H 0.52321299303271 0.70628087753987 0.76693302023436 1.008 > 19 60 H 0.18306788450716 0.47678700696729 0.76693302023436 1.008 > 20 *61 Ru 0.33333333333333 0.66666666666667 0.16666666666667 101.070 > 21 62 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 > 22 63 Ru 0.00000000000000 0.00000000000000 0.50000000000000 101.070 > 21 64 Ru 0.66666666666667 0.33333333333333 0.33333333333333 101.070 > 22 65 Ru 0.66666666666667 0.33333333333333 0.83333333333333 101.070 > 21 66 Ru 0.33333333333333 0.66666666666667 0.66666666666667 101.070 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7246290 -0.0000000 0.0000000 0.0000000 4.7246290 0.0000000 0.0000000 0.0000000 4.9201543 -------------------------- Born effective charges -------------------------- 1 Li 0.6877633 0.0000000 0.0000000 0.0000000 0.6877633 0.0000000 0.0000000 -0.0000000 1.3453618 2 Li 0.6877633 0.0000000 0.0000000 0.0000000 0.6877633 0.0000000 0.0000000 -0.0000000 1.3453618 3 Li 1.1862227 -0.0435113 0.1790358 -0.0435113 1.1359802 -0.1033664 0.1476764 -0.0852610 0.9923500 4 Li 1.1862227 0.0435113 -0.1790358 0.0435113 1.1359802 -0.1033664 -0.1476764 -0.0852610 0.9923500 5 Li 1.1108589 0.0000000 0.0000000 0.0000000 1.2113439 0.2067328 0.0000000 0.1705220 0.9923500 6 Li 1.1862227 0.0435113 -0.1790358 0.0435113 1.1359802 -0.1033664 -0.1476764 -0.0852610 0.9923500 7 Li 1.1108589 0.0000000 0.0000000 0.0000000 1.2113439 0.2067328 0.0000000 0.1705220 0.9923500 8 Li 1.1862227 -0.0435113 0.1790358 -0.0435113 1.1359802 -0.1033664 0.1476764 -0.0852610 0.9923500 9 H -0.2433924 -0.3878672 -0.3394723 -0.4511630 -0.4196991 -0.4682045 -0.4129821 -0.4664953 -0.4051311 10 H -0.0123117 0.3177485 -0.2357409 0.2544527 -0.6507798 0.5280939 -0.1975057 0.5909007 -0.4051311 11 H -0.7389332 0.1650624 0.5752131 0.1017666 0.0758416 -0.0598893 0.6104878 -0.1244054 -0.4051311 12 H -0.2433924 0.3878672 0.3394723 0.4511630 -0.4196991 -0.4682045 0.4129821 -0.4664953 -0.4051311 13 H -0.7389332 -0.1650624 -0.5752131 -0.1017666 0.0758416 -0.0598893 -0.6104878 -0.1244054 -0.4051311 14 H -0.0123117 -0.3177485 0.2357409 -0.2544527 -0.6507798 0.5280939 0.1975057 0.5909007 -0.4051311 15 H -0.2433924 -0.3878672 -0.3394723 -0.4511630 -0.4196991 -0.4682045 -0.4129821 -0.4664953 -0.4051311 16 H -0.0123117 0.3177485 -0.2357409 0.2544527 -0.6507798 0.5280939 -0.1975057 0.5909007 -0.4051311 17 H -0.7389332 0.1650624 0.5752131 0.1017666 0.0758416 -0.0598893 0.6104878 -0.1244054 -0.4051311 18 H -0.2433924 0.3878672 0.3394723 0.4511630 -0.4196991 -0.4682045 0.4129821 -0.4664953 -0.4051311 19 H -0.7389332 -0.1650624 -0.5752131 -0.1017666 0.0758416 -0.0598893 -0.6104878 -0.1244054 -0.4051311 20 H -0.0123117 -0.3177485 0.2357409 -0.2544527 -0.6507798 0.5280939 0.1975057 0.5909007 -0.4051311 21 Ru -2.1817931 0.2074888 0.0000000 -0.2074888 -2.1817931 0.0000000 0.0000000 -0.0000000 -1.8916250 22 Ru -2.1817931 -0.2074888 0.0000000 0.2074888 -2.1817931 0.0000000 0.0000000 -0.0000000 -1.8916250 ---------------------------------------------------------------------------- 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: 198/198 Permutation basis: 8409/8409 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 592 Number of blocks in projector: 300 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 275 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 83 Use standard eigh solver. Tree of FC basis block matrices: - (592, 573), data: False |-- (83, 79), data: True |-- (234, 228), data: True |-- (275, 266), data: True ----- Solver_atoms: 1 -- 66 / 66 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.312 Solver_block: 200 / 240 - Time: 0.317 Solver_block: 240 / 240 - Time: 0.143 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.785 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 198/198 Permutation basis: 8409/8409 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 592 Number of blocks in projector: 300 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 275 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 83 Use standard eigh solver. Tree of FC basis block matrices: - (592, 573), data: False |-- (83, 79), data: True |-- (234, 228), data: True |-- (275, 266), 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 21:04:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:04:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.015144161118593 2.318144562256968 3.279500626666663 b -4.015144161118584 2.318144562256968 3.279500626666663 c 0.000000000000004 -4.636289124513944 3.279500626666663 Atomic positions (fractional): 1 Li 0.25000000000000 0.25000000000000 0.25000000000000 6.941 2 Li 0.75000000000000 0.75000000000000 0.75000000000000 6.941 3 Li 0.87025575769300 0.25000000000000 0.62974424230700 6.941 4 Li 0.25000000000000 0.62974424230701 0.87025575769300 6.941 5 Li 0.62974424230700 0.87025575769300 0.25000000000000 6.941 6 Li 0.75000000000000 0.37025575769300 0.12974424230700 6.941 7 Li 0.37025575769300 0.12974424230700 0.75000000000000 6.941 8 Li 0.12974424230700 0.75000000000000 0.37025575769300 6.941 9 H 0.20985398673293 0.43934785730551 0.54999909525848 1.008 10 H 0.43934785730551 0.54999909525848 0.20985398673293 1.008 11 H 0.54999909525848 0.20985398673293 0.43934785730551 1.008 12 H 0.93934785730551 0.70985398673293 0.04999909525848 1.008 13 H 0.70985398673293 0.04999909525848 0.93934785730551 1.008 14 H 0.04999909525848 0.93934785730551 0.70985398673293 1.008 15 H 0.79014601326707 0.56065214269449 0.45000090474152 1.008 16 H 0.56065214269449 0.45000090474152 0.79014601326707 1.008 17 H 0.45000090474152 0.79014601326707 0.56065214269449 1.008 18 H 0.06065214269449 0.29014601326707 0.95000090474152 1.008 19 H 0.29014601326707 0.95000090474152 0.06065214269449 1.008 20 H 0.95000090474152 0.06065214269449 0.29014601326707 1.008 21 Ru 0.50000000000000 0.50000000000000 0.50000000000000 101.070 22 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.030288322237176 0.000000000000000 0.000000000000000 b -4.015144161118588 6.954433686770912 0.000000000000000 c 0.000000000000000 0.000000000000000 9.838501879999999 Atomic positions (fractional): 1 Li 0.33333333333333 0.66666666666667 0.91666666666667 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.41666666666667 6.941 > 2 3 Li 0.62025575769300 0.62025575769300 0.25000000000000 6.941 > 3 4 Li 0.00000000000000 0.37974424230700 0.25000000000000 6.941 > 4 5 Li 0.37974424230700 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.66666666666667 0.95358909102633 0.08333333333333 6.941 > 6 7 Li 0.28692242435966 0.33333333333333 0.08333333333333 6.941 > 7 8 Li 0.04641090897367 0.71307757564034 0.08333333333333 6.941 > 8 9 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 2 11 Li 0.28692242435966 0.95358909102633 0.58333333333333 6.941 > 3 12 Li 0.66666666666667 0.71307757564034 0.58333333333333 6.941 > 4 13 Li 0.04641090897367 0.33333333333333 0.58333333333333 6.941 > 5 14 Li 0.33333333333333 0.28692242435966 0.41666666666667 6.941 > 6 15 Li 0.95358909102633 0.66666666666667 0.41666666666667 6.941 > 7 16 Li 0.71307757564034 0.04641090897367 0.41666666666667 6.941 > 8 17 Li 0.66666666666667 0.33333333333333 0.58333333333333 6.941 > 1 18 Li 0.66666666666667 0.33333333333333 0.08333333333333 6.941 > 2 19 Li 0.95358909102633 0.28692242435966 0.91666666666667 6.941 > 3 20 Li 0.33333333333333 0.04641090897367 0.91666666666667 6.941 > 4 21 Li 0.71307757564034 0.66666666666667 0.91666666666667 6.941 > 5 22 Li 0.00000000000000 0.62025575769300 0.75000000000000 6.941 > 6 23 Li 0.62025575769300 0.00000000000000 0.75000000000000 6.941 > 7 24 Li 0.37974424230700 0.37974424230700 0.75000000000000 6.941 > 8 25 H 0.14345367363395 0.51640121784049 0.06640031309897 1.008 > 25 26 H 0.37294754420654 0.85654632636605 0.06640031309897 1.008 > 26 27 H 0.48359878215951 0.62705245579346 0.06640031309897 1.008 > 27 28 H 0.70628087753987 0.18306788450716 0.23306697976564 1.008 > 28 29 H 0.47678700696729 0.29371912246013 0.23306697976564 1.008 > 29 30 H 0.81693211549284 0.52321299303271 0.23306697976564 1.008 > 30 31 H 0.52321299303271 0.81693211549284 0.26693302023436 1.008 > 31 32 H 0.29371912246013 0.47678700696729 0.26693302023436 1.008 > 32 33 H 0.18306788450716 0.70628087753987 0.26693302023436 1.008 > 33 34 H 0.96038578912679 0.15026544882618 0.10026635356769 1.008 > 34 35 H 0.18987965969938 0.03961421087320 0.10026635356769 1.008 > 35 36 H 0.84973455117383 0.81012034030062 0.10026635356769 1.008 > 36 37 H 0.81012034030062 0.84973455117383 0.39973364643231 1.008 > 25 38 H 0.03961421087320 0.18987965969938 0.39973364643231 1.008 > 26 39 H 0.15026544882618 0.96038578912679 0.39973364643231 1.008 > 27 40 H 0.37294754420654 0.51640121784049 0.56640031309897 1.008 > 28 41 H 0.14345367363395 0.62705245579346 0.56640031309897 1.008 > 29 42 H 0.48359878215951 0.85654632636605 0.56640031309897 1.008 > 30 43 H 0.18987965969938 0.15026544882618 0.60026635356769 1.008 > 31 44 H 0.96038578912679 0.81012034030062 0.60026635356769 1.008 > 32 45 H 0.84973455117383 0.03961421087320 0.60026635356769 1.008 > 33 46 H 0.62705245579346 0.48359878215951 0.43359968690103 1.008 > 34 47 H 0.85654632636605 0.37294754420654 0.43359968690103 1.008 > 35 48 H 0.51640121784049 0.14345367363395 0.43359968690103 1.008 > 36 49 H 0.47678700696729 0.18306788450716 0.73306697976564 1.008 > 25 50 H 0.70628087753987 0.52321299303271 0.73306697976564 1.008 > 26 51 H 0.81693211549284 0.29371912246013 0.73306697976564 1.008 > 27 52 H 0.03961421087320 0.84973455117383 0.89973364643231 1.008 > 28 53 H 0.81012034030062 0.96038578912679 0.89973364643231 1.008 > 29 54 H 0.15026544882618 0.18987965969938 0.89973364643231 1.008 > 30 55 H 0.85654632636605 0.48359878215951 0.93359968690103 1.008 > 31 56 H 0.62705245579346 0.14345367363395 0.93359968690103 1.008 > 32 57 H 0.51640121784049 0.37294754420654 0.93359968690103 1.008 > 33 58 H 0.29371912246013 0.81693211549284 0.76693302023436 1.008 > 34 59 H 0.52321299303271 0.70628087753987 0.76693302023436 1.008 > 35 60 H 0.18306788450716 0.47678700696729 0.76693302023436 1.008 > 36 61 Ru 0.33333333333333 0.66666666666667 0.16666666666667 101.070 > 61 62 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 > 62 63 Ru 0.00000000000000 0.00000000000000 0.50000000000000 101.070 > 61 64 Ru 0.66666666666667 0.33333333333333 0.33333333333333 101.070 > 62 65 Ru 0.66666666666667 0.33333333333333 0.83333333333333 101.070 > 61 66 Ru 0.33333333333333 0.66666666666667 0.66666666666667 101.070 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7246290 -0.0000000 0.0000000 0.0000000 4.7246290 0.0000000 0.0000000 0.0000000 4.9201543 -------------------------- Born effective charges -------------------------- 1 Li 0.6877633 0.0000000 0.0000000 0.0000000 0.6877633 0.0000000 0.0000000 -0.0000000 1.3453618 2 Li 0.6877633 0.0000000 0.0000000 0.0000000 0.6877633 0.0000000 0.0000000 -0.0000000 1.3453618 3 Li 1.1862227 -0.0435113 0.1790358 -0.0435113 1.1359802 -0.1033664 0.1476764 -0.0852610 0.9923500 4 Li 1.1862227 0.0435113 -0.1790358 0.0435113 1.1359802 -0.1033664 -0.1476764 -0.0852610 0.9923500 5 Li 1.1108589 0.0000000 0.0000000 0.0000000 1.2113439 0.2067328 0.0000000 0.1705220 0.9923500 6 Li 1.1862227 0.0435113 -0.1790358 0.0435113 1.1359802 -0.1033664 -0.1476764 -0.0852610 0.9923500 7 Li 1.1108589 0.0000000 0.0000000 0.0000000 1.2113439 0.2067328 0.0000000 0.1705220 0.9923500 8 Li 1.1862227 -0.0435113 0.1790358 -0.0435113 1.1359802 -0.1033664 0.1476764 -0.0852610 0.9923500 9 H -0.2433924 -0.3878672 -0.3394723 -0.4511630 -0.4196991 -0.4682045 -0.4129821 -0.4664953 -0.4051311 10 H -0.0123117 0.3177485 -0.2357409 0.2544527 -0.6507798 0.5280939 -0.1975057 0.5909007 -0.4051311 11 H -0.7389332 0.1650624 0.5752131 0.1017666 0.0758416 -0.0598893 0.6104878 -0.1244054 -0.4051311 12 H -0.2433924 0.3878672 0.3394723 0.4511630 -0.4196991 -0.4682045 0.4129821 -0.4664953 -0.4051311 13 H -0.7389332 -0.1650624 -0.5752131 -0.1017666 0.0758416 -0.0598893 -0.6104878 -0.1244054 -0.4051311 14 H -0.0123117 -0.3177485 0.2357409 -0.2544527 -0.6507798 0.5280939 0.1975057 0.5909007 -0.4051311 15 H -0.2433924 -0.3878672 -0.3394723 -0.4511630 -0.4196991 -0.4682045 -0.4129821 -0.4664953 -0.4051311 16 H -0.0123117 0.3177485 -0.2357409 0.2544527 -0.6507798 0.5280939 -0.1975057 0.5909007 -0.4051311 17 H -0.7389332 0.1650624 0.5752131 0.1017666 0.0758416 -0.0598893 0.6104878 -0.1244054 -0.4051311 18 H -0.2433924 0.3878672 0.3394723 0.4511630 -0.4196991 -0.4682045 0.4129821 -0.4664953 -0.4051311 19 H -0.7389332 -0.1650624 -0.5752131 -0.1017666 0.0758416 -0.0598893 -0.6104878 -0.1244054 -0.4051311 20 H -0.0123117 -0.3177485 0.2357409 -0.2544527 -0.6507798 0.5280939 0.1975057 0.5909007 -0.4051311 21 Ru -2.1817931 0.2074888 0.0000000 -0.2074888 -2.1817931 0.0000000 0.0000000 -0.0000000 -1.8916250 22 Ru -2.1817931 -0.2074888 0.0000000 0.2074888 -2.1817931 0.0000000 0.0000000 -0.0000000 -1.8916250 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:05:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:05:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.015144161118593 2.318144562256968 3.279500626666663 b -4.015144161118584 2.318144562256968 3.279500626666663 c 0.000000000000004 -4.636289124513944 3.279500626666663 Atomic positions (fractional): 1 Li 0.25000000000000 0.25000000000000 0.25000000000000 6.941 2 Li 0.75000000000000 0.75000000000000 0.75000000000000 6.941 3 Li 0.87025575769300 0.25000000000000 0.62974424230700 6.941 4 Li 0.25000000000000 0.62974424230701 0.87025575769300 6.941 5 Li 0.62974424230700 0.87025575769300 0.25000000000000 6.941 6 Li 0.75000000000000 0.37025575769300 0.12974424230700 6.941 7 Li 0.37025575769300 0.12974424230700 0.75000000000000 6.941 8 Li 0.12974424230700 0.75000000000000 0.37025575769300 6.941 9 H 0.20985398673293 0.43934785730551 0.54999909525848 1.008 10 H 0.43934785730551 0.54999909525848 0.20985398673293 1.008 11 H 0.54999909525848 0.20985398673293 0.43934785730551 1.008 12 H 0.93934785730551 0.70985398673293 0.04999909525848 1.008 13 H 0.70985398673293 0.04999909525848 0.93934785730551 1.008 14 H 0.04999909525848 0.93934785730551 0.70985398673293 1.008 15 H 0.79014601326707 0.56065214269449 0.45000090474152 1.008 16 H 0.56065214269449 0.45000090474152 0.79014601326707 1.008 17 H 0.45000090474152 0.79014601326707 0.56065214269449 1.008 18 H 0.06065214269449 0.29014601326707 0.95000090474152 1.008 19 H 0.29014601326707 0.95000090474152 0.06065214269449 1.008 20 H 0.95000090474152 0.06065214269449 0.29014601326707 1.008 21 Ru 0.50000000000000 0.50000000000000 0.50000000000000 101.070 22 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.030288322237176 0.000000000000000 0.000000000000000 b -4.015144161118588 6.954433686770912 0.000000000000000 c 0.000000000000000 0.000000000000000 9.838501879999999 Atomic positions (fractional): 1 Li 0.33333333333333 0.66666666666667 0.91666666666667 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.41666666666667 6.941 > 2 3 Li 0.62025575769300 0.62025575769300 0.25000000000000 6.941 > 3 4 Li 0.00000000000000 0.37974424230700 0.25000000000000 6.941 > 4 5 Li 0.37974424230700 0.00000000000000 0.25000000000000 6.941 > 5 6 Li 0.66666666666667 0.95358909102633 0.08333333333333 6.941 > 6 7 Li 0.28692242435966 0.33333333333333 0.08333333333333 6.941 > 7 8 Li 0.04641090897367 0.71307757564034 0.08333333333333 6.941 > 8 9 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 2 11 Li 0.28692242435966 0.95358909102633 0.58333333333333 6.941 > 3 12 Li 0.66666666666667 0.71307757564034 0.58333333333333 6.941 > 4 13 Li 0.04641090897367 0.33333333333333 0.58333333333333 6.941 > 5 14 Li 0.33333333333333 0.28692242435966 0.41666666666667 6.941 > 6 15 Li 0.95358909102633 0.66666666666667 0.41666666666667 6.941 > 7 16 Li 0.71307757564034 0.04641090897367 0.41666666666667 6.941 > 8 17 Li 0.66666666666667 0.33333333333333 0.58333333333333 6.941 > 1 18 Li 0.66666666666667 0.33333333333333 0.08333333333333 6.941 > 2 19 Li 0.95358909102633 0.28692242435966 0.91666666666667 6.941 > 3 20 Li 0.33333333333333 0.04641090897367 0.91666666666667 6.941 > 4 21 Li 0.71307757564034 0.66666666666667 0.91666666666667 6.941 > 5 22 Li 0.00000000000000 0.62025575769300 0.75000000000000 6.941 > 6 23 Li 0.62025575769300 0.00000000000000 0.75000000000000 6.941 > 7 24 Li 0.37974424230700 0.37974424230700 0.75000000000000 6.941 > 8 25 H 0.14345367363395 0.51640121784049 0.06640031309897 1.008 > 25 26 H 0.37294754420654 0.85654632636605 0.06640031309897 1.008 > 26 27 H 0.48359878215951 0.62705245579346 0.06640031309897 1.008 > 27 28 H 0.70628087753987 0.18306788450716 0.23306697976564 1.008 > 28 29 H 0.47678700696729 0.29371912246013 0.23306697976564 1.008 > 29 30 H 0.81693211549284 0.52321299303271 0.23306697976564 1.008 > 30 31 H 0.52321299303271 0.81693211549284 0.26693302023436 1.008 > 31 32 H 0.29371912246013 0.47678700696729 0.26693302023436 1.008 > 32 33 H 0.18306788450716 0.70628087753987 0.26693302023436 1.008 > 33 34 H 0.96038578912679 0.15026544882618 0.10026635356769 1.008 > 34 35 H 0.18987965969938 0.03961421087320 0.10026635356769 1.008 > 35 36 H 0.84973455117383 0.81012034030062 0.10026635356769 1.008 > 36 37 H 0.81012034030062 0.84973455117383 0.39973364643231 1.008 > 25 38 H 0.03961421087320 0.18987965969938 0.39973364643231 1.008 > 26 39 H 0.15026544882618 0.96038578912679 0.39973364643231 1.008 > 27 40 H 0.37294754420654 0.51640121784049 0.56640031309897 1.008 > 28 41 H 0.14345367363395 0.62705245579346 0.56640031309897 1.008 > 29 42 H 0.48359878215951 0.85654632636605 0.56640031309897 1.008 > 30 43 H 0.18987965969938 0.15026544882618 0.60026635356769 1.008 > 31 44 H 0.96038578912679 0.81012034030062 0.60026635356769 1.008 > 32 45 H 0.84973455117383 0.03961421087320 0.60026635356769 1.008 > 33 46 H 0.62705245579346 0.48359878215951 0.43359968690103 1.008 > 34 47 H 0.85654632636605 0.37294754420654 0.43359968690103 1.008 > 35 48 H 0.51640121784049 0.14345367363395 0.43359968690103 1.008 > 36 49 H 0.47678700696729 0.18306788450716 0.73306697976564 1.008 > 25 50 H 0.70628087753987 0.52321299303271 0.73306697976564 1.008 > 26 51 H 0.81693211549284 0.29371912246013 0.73306697976564 1.008 > 27 52 H 0.03961421087320 0.84973455117383 0.89973364643231 1.008 > 28 53 H 0.81012034030062 0.96038578912679 0.89973364643231 1.008 > 29 54 H 0.15026544882618 0.18987965969938 0.89973364643231 1.008 > 30 55 H 0.85654632636605 0.48359878215951 0.93359968690103 1.008 > 31 56 H 0.62705245579346 0.14345367363395 0.93359968690103 1.008 > 32 57 H 0.51640121784049 0.37294754420654 0.93359968690103 1.008 > 33 58 H 0.29371912246013 0.81693211549284 0.76693302023436 1.008 > 34 59 H 0.52321299303271 0.70628087753987 0.76693302023436 1.008 > 35 60 H 0.18306788450716 0.47678700696729 0.76693302023436 1.008 > 36 61 Ru 0.33333333333333 0.66666666666667 0.16666666666667 101.070 > 61 62 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 > 62 63 Ru 0.00000000000000 0.00000000000000 0.50000000000000 101.070 > 61 64 Ru 0.66666666666667 0.33333333333333 0.33333333333333 101.070 > 62 65 Ru 0.66666666666667 0.33333333333333 0.83333333333333 101.070 > 61 66 Ru 0.33333333333333 0.66666666666667 0.66666666666667 101.070 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7246290 -0.0000000 0.0000000 0.0000000 4.7246290 0.0000000 0.0000000 0.0000000 4.9201543 -------------------------- Born effective charges -------------------------- 1 Li 0.6877633 0.0000000 0.0000000 0.0000000 0.6877633 0.0000000 0.0000000 -0.0000000 1.3453618 2 Li 0.6877633 0.0000000 0.0000000 0.0000000 0.6877633 0.0000000 0.0000000 -0.0000000 1.3453618 3 Li 1.1862227 -0.0435113 0.1790358 -0.0435113 1.1359802 -0.1033664 0.1476764 -0.0852610 0.9923500 4 Li 1.1862227 0.0435113 -0.1790358 0.0435113 1.1359802 -0.1033664 -0.1476764 -0.0852610 0.9923500 5 Li 1.1108589 0.0000000 0.0000000 0.0000000 1.2113439 0.2067328 0.0000000 0.1705220 0.9923500 6 Li 1.1862227 0.0435113 -0.1790358 0.0435113 1.1359802 -0.1033664 -0.1476764 -0.0852610 0.9923500 7 Li 1.1108589 0.0000000 0.0000000 0.0000000 1.2113439 0.2067328 0.0000000 0.1705220 0.9923500 8 Li 1.1862227 -0.0435113 0.1790358 -0.0435113 1.1359802 -0.1033664 0.1476764 -0.0852610 0.9923500 9 H -0.2433924 -0.3878672 -0.3394723 -0.4511630 -0.4196991 -0.4682045 -0.4129821 -0.4664953 -0.4051311 10 H -0.0123117 0.3177485 -0.2357409 0.2544527 -0.6507798 0.5280939 -0.1975057 0.5909007 -0.4051311 11 H -0.7389332 0.1650624 0.5752131 0.1017666 0.0758416 -0.0598893 0.6104878 -0.1244054 -0.4051311 12 H -0.2433924 0.3878672 0.3394723 0.4511630 -0.4196991 -0.4682045 0.4129821 -0.4664953 -0.4051311 13 H -0.7389332 -0.1650624 -0.5752131 -0.1017666 0.0758416 -0.0598893 -0.6104878 -0.1244054 -0.4051311 14 H -0.0123117 -0.3177485 0.2357409 -0.2544527 -0.6507798 0.5280939 0.1975057 0.5909007 -0.4051311 15 H -0.2433924 -0.3878672 -0.3394723 -0.4511630 -0.4196991 -0.4682045 -0.4129821 -0.4664953 -0.4051311 16 H -0.0123117 0.3177485 -0.2357409 0.2544527 -0.6507798 0.5280939 -0.1975057 0.5909007 -0.4051311 17 H -0.7389332 0.1650624 0.5752131 0.1017666 0.0758416 -0.0598893 0.6104878 -0.1244054 -0.4051311 18 H -0.2433924 0.3878672 0.3394723 0.4511630 -0.4196991 -0.4682045 0.4129821 -0.4664953 -0.4051311 19 H -0.7389332 -0.1650624 -0.5752131 -0.1017666 0.0758416 -0.0598893 -0.6104878 -0.1244054 -0.4051311 20 H -0.0123117 -0.3177485 0.2357409 -0.2544527 -0.6507798 0.5280939 0.1975057 0.5909007 -0.4051311 21 Ru -2.1817931 0.2074888 0.0000000 -0.2074888 -2.1817931 0.0000000 0.0000000 -0.0000000 -1.8916250 22 Ru -2.1817931 -0.2074888 0.0000000 0.2074888 -2.1817931 0.0000000 0.0000000 -0.0000000 -1.8916250 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.73, Number of G-points: 305, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/85) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 85 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 4.789 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 5.163 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.675 ( 0.000 0.000 0.000) 0.000 5.675 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.621 ( 0.000 0.000 0.000) 0.000 6.621 ( 0.000 0.000 0.000) 0.000 6.698 ( 0.000 0.000 0.000) 0.000 6.776 ( 0.000 0.000 0.000) 0.000 6.776 ( 0.000 0.000 0.000) 0.000 8.501 ( 0.000 0.000 0.000) 0.000 9.607 ( 0.000 0.000 0.000) 0.000 9.607 ( 0.000 0.000 0.000) 0.000 11.368 ( 0.000 0.000 0.000) 0.000 11.602 ( 0.000 0.000 0.000) 0.000 11.602 ( 0.000 0.000 0.000) 0.000 11.943 ( 0.000 0.000 0.000) 0.000 11.992 ( 0.000 0.000 0.000) 0.000 11.992 ( 0.000 0.000 0.000) 0.000 12.441 ( 0.000 0.000 0.000) 0.000 12.441 ( 0.000 0.000 0.000) 0.000 13.681 ( 0.000 0.000 0.000) 0.000 14.076 ( 0.000 0.000 0.000) 0.000 15.552 ( 0.000 0.000 0.000) 0.000 15.552 ( 0.000 0.000 0.000) 0.000 15.779 ( 0.000 0.000 0.000) 0.000 15.779 ( 0.000 0.000 0.000) 0.000 16.463 ( 0.000 0.000 0.000) 0.000 16.536 ( 0.000 0.000 0.000) 0.000 20.908 ( 0.000 0.000 0.000) 0.000 21.513 ( 0.000 0.000 0.000) 0.000 21.993 ( 0.000 0.000 0.000) 0.000 21.993 ( 0.000 0.000 0.000) 0.000 22.332 ( 0.000 0.000 0.000) 0.000 22.332 ( 0.000 0.000 0.000) 0.000 22.803 ( 0.000 0.000 0.000) 0.000 22.803 ( 0.000 0.000 0.000) 0.000 23.553 ( 0.000 0.000 0.000) 0.000 23.553 ( 0.000 0.000 0.000) 0.000 23.594 ( 0.000 0.000 0.000) 0.000 23.888 ( 0.000 0.000 0.000) 0.000 23.888 ( 0.000 0.000 0.000) 0.000 23.953 ( 0.000 0.000 0.000) 0.000 24.095 ( 0.000 0.000 0.000) 0.000 24.095 ( 0.000 0.000 0.000) 0.000 24.725 ( 0.000 0.000 0.000) 0.000 24.997 ( 0.000 0.000 0.000) 0.000 44.693 ( 0.000 0.000 0.000) 0.000 44.874 ( 0.000 0.000 0.000) 0.000 44.874 ( 0.000 0.000 0.000) 0.000 46.443 ( 0.000 0.000 0.000) 0.000 46.561 ( 0.000 0.000 0.000) 0.000 46.561 ( 0.000 0.000 0.000) 0.000 54.470 ( 0.000 0.000 0.000) 0.000 54.470 ( 0.000 0.000 0.000) 0.000 54.809 ( 0.000 0.000 0.000) 0.000 54.809 ( 0.000 0.000 0.000) 0.000 54.827 ( 0.000 0.000 0.000) 0.000 55.029 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/85) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 19.620 11.328 28.222) 36.190 0.735 ( 26.965 15.568 19.526) 36.752 1.101 ( 39.013 22.524 31.345) 54.880 4.538 ( -12.962 -7.484 -12.115) 19.256 4.779 ( -2.680 -1.547 2.365) 3.895 4.911 ( -9.520 -5.496 1.121) 11.050 5.106 ( -0.210 -0.121 10.478) 10.481 5.264 ( 6.882 3.973 2.453) 8.316 5.298 ( 1.592 0.919 -9.633) 9.807 5.715 ( 4.411 2.547 -0.380) 5.108 5.938 ( 9.185 5.303 -12.355) 16.283 6.456 ( -4.112 -2.374 3.291) 5.777 6.531 ( -8.127 -4.692 -0.575) 9.402 6.721 ( -0.202 -0.117 3.134) 3.143 6.805 ( 5.771 3.332 -5.263) 8.492 6.839 ( 1.940 1.120 7.009) 7.358 8.507 ( 1.702 0.983 -2.456) 3.146 8.616 ( 8.199 4.734 5.167) 10.786 9.534 ( -6.645 -3.837 -4.695) 8.995 9.635 ( 1.426 0.823 3.646) 4.000 11.373 ( -6.795 -3.923 4.484) 9.038 11.581 ( -1.028 -0.594 -3.475) 3.673 11.619 ( 2.039 1.177 -0.972) 2.547 11.913 ( -5.565 -3.213 -3.177) 7.168 11.950 ( 0.496 0.287 0.446) 0.726 11.964 ( -1.440 -0.831 -1.940) 2.555 12.424 ( -0.681 -0.393 -1.867) 2.026 13.280 ( 24.807 14.322 -57.088) 63.871 13.696 ( 0.526 0.304 1.766) 1.868 14.088 ( 4.643 2.681 -6.358) 8.317 15.546 ( -0.607 -0.351 0.119) 0.711 15.571 ( 0.640 0.369 2.177) 2.299 15.759 ( -1.245 -0.719 -1.377) 1.990 15.783 ( 1.121 0.647 -1.209) 1.772 16.470 ( -0.311 -0.180 1.682) 1.720 16.965 ( -27.128 -15.662 39.948) 50.765 20.940 ( 1.825 1.053 1.966) 2.882 21.505 ( -1.324 -0.765 0.664) 1.667 22.005 ( 0.869 0.502 0.701) 1.224 22.044 ( 3.349 1.934 -0.712) 3.932 22.329 ( -1.077 -0.622 1.550) 1.987 22.357 ( 0.030 0.017 -2.693) 2.693 22.829 ( 2.022 1.167 1.027) 2.551 22.831 ( 2.729 1.576 0.287) 3.164 23.530 ( -1.444 -0.833 -1.546) 2.274 23.535 ( -1.509 -0.871 -0.621) 1.850 23.606 ( 0.448 0.259 1.544) 1.628 23.897 ( 0.042 0.024 1.576) 1.577 23.910 ( 1.160 0.670 1.821) 2.261 23.966 ( 0.865 0.500 0.783) 1.269 24.098 ( 0.653 0.377 -0.686) 1.019 24.120 ( 1.086 0.627 -4.045) 4.235 24.734 ( 0.914 0.528 -0.325) 1.105 24.988 ( -0.981 -0.566 0.080) 1.136 44.868 ( 2.732 1.578 10.449) 10.915 45.054 ( 12.507 7.221 9.823) 17.465 45.911 ( -17.406 -10.049 37.265) 42.339 46.474 ( -0.329 -0.190 1.066) 1.132 46.624 ( 5.010 2.892 7.855) 9.755 48.614 ( 14.882 8.592 -12.695) 21.365 54.439 ( -1.462 -0.844 -3.532) 3.915 54.487 ( 1.752 1.011 -0.705) 2.142 54.765 ( -2.747 -1.586 -3.321) 4.592 54.802 ( -1.031 -0.595 0.090) 1.194 54.832 ( 1.409 0.813 -0.633) 1.745 55.014 ( -0.712 -0.411 -0.655) 1.051 ======================= Grid point 2 (3/85) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 19.957 11.522 28.325) 36.515 1.421 ( 24.810 14.324 16.755) 33.188 2.117 ( 35.039 20.230 25.863) 48.020 4.148 ( -15.616 -9.016 -8.298) 19.850 4.609 ( -15.331 -8.852 -9.037) 19.877 4.769 ( -7.458 -4.306 7.235) 11.248 5.229 ( 0.316 0.182 11.755) 11.761 5.233 ( 3.789 2.188 -9.755) 10.692 5.382 ( 4.216 2.434 -0.952) 4.960 5.817 ( 6.964 4.021 -0.791) 8.080 5.987 ( 2.329 1.344 2.434) 3.627 6.338 ( -9.685 -5.591 -3.465) 11.708 6.418 ( 1.187 0.685 -5.103) 5.284 6.721 ( -1.109 -0.640 -1.950) 2.333 6.882 ( 5.978 3.451 0.330) 6.910 6.984 ( 4.136 2.388 7.834) 9.175 8.486 ( 0.918 0.530 -6.097) 6.188 8.908 ( 13.328 7.695 8.723) 17.690 9.295 ( -10.499 -6.061 -6.846) 13.922 9.769 ( 6.057 3.497 8.538) 11.037 11.262 ( -7.795 -4.500 -0.345) 9.007 11.425 ( -8.990 -5.191 -10.067) 14.461 11.632 ( 1.627 0.939 -3.973) 4.395 11.771 ( -5.208 -3.007 -2.184) 6.398 11.923 ( -0.533 -0.308 -0.229) 0.656 11.985 ( 2.846 1.643 0.614) 3.343 12.374 ( -1.492 -0.861 -3.181) 3.617 13.040 ( 0.316 0.182 -24.915) 24.917 13.738 ( 0.706 0.407 3.548) 3.640 14.086 ( 4.271 2.466 -8.980) 10.245 15.537 ( -0.873 -0.504 0.860) 1.325 15.620 ( 1.171 0.676 3.355) 3.618 15.709 ( -2.023 -1.168 -1.691) 2.884 15.791 ( 1.999 1.154 -2.624) 3.495 16.492 ( -0.172 -0.099 3.138) 3.145 16.896 ( -13.047 -7.533 13.670) 20.343 21.015 ( 3.457 1.996 2.345) 4.629 21.474 ( -3.060 -1.767 0.748) 3.612 22.037 ( 1.350 0.779 1.043) 1.875 22.112 ( 4.130 2.384 -0.244) 4.775 22.322 ( -1.195 -0.690 -1.186) 1.819 22.333 ( -0.949 -0.548 2.644) 2.862 22.896 ( 3.296 1.903 1.941) 4.273 22.904 ( 4.313 2.490 0.796) 5.043 23.469 ( -2.516 -1.453 -2.519) 3.845 23.485 ( -2.724 -1.573 -1.274) 3.394 23.646 ( 1.004 0.580 3.247) 3.448 23.925 ( 0.157 0.091 2.945) 2.951 23.962 ( 1.481 0.855 2.639) 3.144 23.996 ( 0.910 0.525 1.002) 1.451 24.082 ( 0.174 0.100 -4.398) 4.402 24.100 ( 0.943 0.545 -1.649) 1.976 24.754 ( 1.958 1.131 -0.785) 2.394 24.964 ( -1.844 -1.065 0.193) 2.138 45.104 ( 11.147 6.436 7.688) 14.993 45.486 ( 17.883 10.325 12.635) 24.208 46.041 ( -5.939 -3.429 22.945) 23.948 46.428 ( -5.312 -3.067 0.906) 6.200 46.956 ( 15.329 8.850 17.003) 24.544 48.773 ( 9.419 5.438 -1.118) 10.934 54.325 ( -4.607 -2.660 -6.823) 8.652 54.470 ( -2.115 -1.221 -5.250) 5.790 54.681 ( -0.667 -0.385 -2.396) 2.517 54.774 ( -1.112 -0.642 -1.022) 1.641 54.864 ( 2.972 1.716 -0.812) 3.527 55.008 ( -0.176 -0.102 1.321) 1.337 ======================= Grid point 3 (4/85) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 21.561 12.448 12.580) 27.894 2.042 ( 18.852 10.884 27.631) 35.176 2.911 ( 24.742 14.285 10.725) 30.516 3.843 ( -10.432 -6.023 3.446) 12.529 4.135 ( -21.253 -12.270 -13.132) 27.833 4.675 ( -7.791 -4.498 -1.259) 9.084 5.219 ( 3.195 1.845 -3.992) 5.436 5.383 ( 1.807 1.043 11.437) 11.625 5.398 ( 0.644 0.372 -3.266) 3.350 5.911 ( 3.503 2.023 -4.832) 6.302 6.077 ( 0.420 0.243 8.363) 8.377 6.140 ( -5.820 -3.360 -1.539) 6.895 6.389 ( 3.579 2.066 -7.428) 8.500 6.640 ( -3.196 -1.845 -4.787) 6.044 7.028 ( 6.405 3.698 4.759) 8.795 7.148 ( 4.636 2.677 5.763) 7.866 8.415 ( 1.052 0.607 -8.201) 8.290 8.889 ( -15.742 -9.089 -4.862) 18.817 9.416 ( 19.842 11.456 10.484) 25.197 10.047 ( 10.906 6.296 11.886) 17.317 11.040 ( -16.396 -9.466 -14.586) 23.900 11.069 ( -10.240 -5.912 -4.756) 12.745 11.586 ( 0.332 0.192 -5.702) 5.715 11.667 ( -4.638 -2.678 -0.760) 5.410 11.961 ( 2.261 1.305 3.476) 4.347 12.072 ( 5.894 3.403 0.256) 6.810 12.304 ( -1.901 -1.098 -3.306) 3.969 12.755 ( -7.133 -4.118 -13.559) 15.865 13.801 ( 0.534 0.308 5.427) 5.462 14.041 ( 2.317 1.337 -9.476) 9.846 15.538 ( -0.718 -0.415 2.084) 2.243 15.649 ( 0.849 0.490 -5.993) 6.073 15.686 ( -1.865 -1.077 8.271) 8.547 15.794 ( 2.339 1.350 -4.151) 4.952 16.536 ( 0.642 0.371 3.962) 4.031 16.800 ( -7.750 -4.474 3.517) 9.615 21.114 ( 4.473 2.582 1.871) 5.493 21.410 ( -4.500 -2.598 0.393) 5.211 22.075 ( 1.403 0.810 1.134) 1.978 22.165 ( 1.866 1.077 -1.237) 2.485 22.303 ( 0.462 0.267 0.007) 0.534 22.350 ( -0.773 -0.446 2.639) 2.786 22.988 ( 3.732 2.155 2.648) 5.058 23.002 ( 4.813 2.779 1.291) 5.705 23.386 ( -3.092 -1.785 -2.805) 4.540 23.409 ( -3.515 -2.029 -1.842) 4.457 23.715 ( 1.524 0.880 4.758) 5.073 23.962 ( -0.161 -0.093 2.201) 2.209 23.996 ( -0.843 -0.487 -1.313) 1.635 24.016 ( 1.019 0.588 2.510) 2.772 24.053 ( 1.277 0.737 -1.757) 2.293 24.092 ( 0.797 0.460 -2.814) 2.961 24.788 ( 2.696 1.556 -0.867) 3.231 24.926 ( -2.513 -1.451 0.346) 2.923 45.429 ( 14.847 8.572 6.300) 18.264 45.908 ( 14.223 8.212 6.712) 17.742 46.183 ( -3.496 -2.018 16.321) 16.812 46.303 ( -8.814 -5.089 0.346) 10.184 47.550 ( 22.631 13.066 23.708) 35.284 48.874 ( 1.863 1.075 -2.520) 3.313 54.145 ( -5.404 -3.120 -6.381) 8.925 54.295 ( -6.397 -3.693 -8.504) 11.264 54.690 ( 2.024 1.169 -0.681) 2.434 54.748 ( -0.232 -0.134 -1.247) 1.276 54.922 ( 4.114 2.375 -0.799) 4.817 55.025 ( -0.819 -0.473 2.584) 2.752 ======================= Grid point 4 (5/85) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 16.654 9.615 5.929) 20.123 2.594 ( 5.314 3.068 18.663) 19.646 3.161 ( 9.788 5.651 -4.801) 12.280 3.567 ( -22.441 -12.956 -13.652) 29.289 4.018 ( 10.675 6.163 19.730) 23.264 4.425 ( -11.093 -6.405 -12.334) 17.782 5.262 ( 2.333 1.347 2.173) 3.461 5.339 ( -1.013 -0.585 -5.177) 5.307 5.565 ( 2.709 1.564 13.003) 13.374 5.773 ( -4.208 -2.429 -11.897) 12.850 6.144 ( 1.900 1.097 1.899) 2.901 6.160 ( -1.093 -0.631 5.414) 5.559 6.402 ( 5.612 3.240 -3.802) 7.513 6.510 ( -5.309 -3.065 -3.365) 6.993 7.197 ( 4.442 2.565 4.950) 7.128 7.251 ( 1.562 0.902 0.694) 1.933 8.389 ( 6.268 3.619 -5.724) 9.227 8.556 ( -14.184 -8.189 -1.462) 16.444 9.954 ( 21.938 12.666 14.325) 29.102 10.405 ( 10.494 6.059 11.959) 17.025 10.528 ( -17.768 -10.258 -15.760) 25.871 10.776 ( -12.677 -7.319 -9.130) 17.252 11.552 ( 1.910 1.103 -3.276) 3.949 11.585 ( -3.895 -2.249 0.720) 4.555 12.060 ( 2.737 1.580 4.955) 5.877 12.146 ( 0.886 0.511 -4.169) 4.293 12.291 ( 4.722 2.726 2.506) 6.001 12.487 ( -8.713 -5.030 -7.302) 12.431 13.879 ( 0.090 0.052 7.291) 7.292 13.965 ( 0.777 0.448 -8.775) 8.820 15.559 ( -0.337 -0.195 3.250) 3.273 15.598 ( -0.018 -0.011 -4.099) 4.099 15.743 ( -1.350 -0.780 6.524) 6.708 15.780 ( 2.028 1.171 -5.524) 6.000 16.605 ( 2.196 1.268 3.623) 4.422 16.697 ( -4.504 -2.601 -1.469) 5.405 21.219 ( 5.061 2.922 1.022) 5.932 21.321 ( -5.141 -2.968 -0.214) 5.940 22.114 ( 1.366 0.789 1.324) 2.059 22.153 ( -0.858 -0.495 -1.591) 1.874 22.332 ( 2.059 1.189 -0.287) 2.395 22.355 ( -1.408 -0.813 1.584) 2.270 23.081 ( 2.487 1.436 2.521) 3.822 23.093 ( 3.002 1.733 0.406) 3.491 23.308 ( -1.778 -1.026 -1.546) 2.569 23.324 ( -2.947 -1.702 -1.602) 3.762 23.806 ( 1.833 1.058 5.598) 5.985 23.903 ( -1.800 -1.039 -5.317) 5.709 24.023 ( -0.003 -0.001 4.151) 4.151 24.052 ( 0.146 0.084 1.796) 1.804 24.061 ( 0.770 0.445 -0.986) 1.327 24.065 ( 0.398 0.230 -3.808) 3.835 24.832 ( 3.023 1.745 -0.732) 3.566 24.880 ( -2.933 -1.694 0.533) 3.429 45.769 ( 14.814 8.553 4.396) 17.662 46.043 ( -8.306 -4.795 -2.192) 9.838 46.206 ( 4.766 2.751 -0.985) 5.590 46.255 ( -4.898 -2.828 9.177) 10.780 48.234 ( 20.831 12.027 21.765) 32.439 48.724 ( -10.196 -5.887 -11.962) 16.784 54.035 ( -1.045 -0.603 -0.673) 1.381 54.101 ( -4.464 -2.578 -5.884) 7.823 54.716 ( 1.263 0.729 -0.177) 1.469 54.733 ( -0.364 -0.210 -0.662) 0.784 54.987 ( 3.885 2.243 -1.413) 4.703 55.025 ( -2.424 -1.399 2.331) 3.642 ======================= Grid point 10 (6/85) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -0.000 19.209 24.083) 30.805 1.032 ( -0.000 23.241 26.871) 35.528 1.613 ( -0.000 27.068 49.390) 56.321 4.455 ( 0.000 -11.108 -8.470) 13.969 4.710 ( 0.000 -0.188 -3.699) 3.704 5.007 ( -0.000 -12.980 9.717) 16.214 5.053 ( 0.000 -6.057 -16.552) 17.625 5.290 ( -0.000 -0.169 8.161) 8.162 5.298 ( -0.000 3.484 6.250) 7.156 5.812 ( -0.000 11.027 5.103) 12.150 5.832 ( 0.000 12.019 -5.525) 13.228 6.424 ( 0.000 -6.104 -6.006) 8.564 6.468 ( 0.000 -9.060 -0.139) 9.061 6.763 ( 0.000 5.190 -4.882) 7.126 6.780 ( -0.000 -1.201 6.845) 6.950 7.021 ( -0.000 13.240 5.566) 14.363 8.478 ( 0.000 2.532 -3.807) 4.573 8.586 ( -0.000 2.021 4.396) 4.838 9.509 ( 0.000 -6.033 -3.582) 7.016 9.635 ( -0.000 -0.328 1.719) 1.750 11.417 ( -0.000 -9.183 0.994) 9.237 11.540 ( 0.000 -0.454 -6.534) 6.550 11.572 ( 0.000 -0.417 -5.074) 5.091 11.887 ( 0.000 -4.591 -2.776) 5.365 11.893 ( 0.000 -2.101 -4.970) 5.396 11.977 ( -0.000 2.246 1.047) 2.479 12.449 ( 0.000 1.531 -0.392) 1.581 12.766 ( 0.000 26.300 -29.389) 39.438 13.727 ( -0.000 0.252 3.881) 3.889 14.040 ( 0.000 -0.022 -3.278) 3.279 15.536 ( 0.000 -0.303 -2.339) 2.359 15.587 ( 0.000 3.110 -0.903) 3.239 15.760 ( -0.000 -2.072 1.143) 2.366 15.773 ( -0.000 -0.460 1.576) 1.642 16.495 ( -0.000 -0.432 2.776) 2.809 17.215 ( -0.000 -24.010 7.741) 25.227 20.969 ( -0.000 1.442 3.244) 3.550 21.519 ( -0.000 -1.351 1.339) 1.903 22.011 ( -0.000 0.676 0.996) 1.204 22.048 ( -0.000 4.445 0.783) 4.513 22.312 ( -0.000 -2.738 0.521) 2.788 22.380 ( -0.000 2.077 1.068) 2.336 22.823 ( -0.000 1.197 0.848) 1.466 22.854 ( -0.000 3.578 1.673) 3.950 23.501 ( 0.000 -2.674 -2.439) 3.619 23.528 ( 0.000 -0.709 -1.670) 1.814 23.632 ( -0.000 0.724 2.931) 3.019 23.931 ( -0.000 0.733 2.935) 3.025 23.931 ( -0.000 0.281 3.295) 3.307 23.981 ( -0.000 0.888 1.622) 1.849 24.060 ( 0.000 -0.345 -2.824) 2.845 24.101 ( 0.000 2.432 -2.898) 3.783 24.726 ( 0.000 0.982 -0.877) 1.317 24.990 ( -0.000 -1.033 0.147) 1.043 45.087 ( -0.000 8.541 11.870) 14.624 45.097 ( -0.000 3.429 18.718) 19.030 46.372 ( -0.000 -16.613 30.193) 34.461 46.558 ( -0.000 4.311 6.524) 7.820 46.780 ( -0.000 4.378 15.428) 16.037 48.435 ( 0.000 16.350 -5.845) 17.364 54.369 ( 0.000 -2.039 -7.009) 7.300 54.446 ( 0.000 0.175 -2.929) 2.934 54.737 ( 0.000 -2.792 -4.905) 5.644 54.784 ( 0.000 0.481 -3.293) 3.329 54.814 ( 0.000 0.835 -0.585) 1.019 54.998 ( 0.000 0.155 -1.603) 1.611 ======================= Grid point 11 (7/85) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 17.980 15.408 20.602) 31.387 1.575 ( 10.517 21.266 22.799) 32.904 2.415 ( 8.264 24.457 41.160) 48.586 4.193 ( -10.733 -10.047 -5.792) 15.802 4.613 ( -10.681 -3.520 -14.819) 18.603 4.766 ( 1.233 -5.022 -9.439) 10.762 5.044 ( 4.289 -14.320 8.150) 17.026 5.353 ( -0.720 -2.744 3.545) 4.541 5.414 ( 2.174 0.072 10.993) 11.206 5.845 ( -1.510 9.544 -1.464) 9.773 6.017 ( 3.887 8.625 5.699) 11.044 6.319 ( 0.882 -4.149 -6.259) 7.561 6.366 ( -5.436 -4.409 -2.126) 7.315 6.708 ( -3.439 4.210 -4.599) 7.121 6.893 ( 4.431 0.354 6.229) 7.652 7.155 ( -5.030 12.749 7.672) 15.707 8.434 ( -1.491 2.358 -6.097) 6.705 8.804 ( 17.120 4.944 5.971) 18.794 9.320 ( -10.515 -7.338 -5.194) 13.835 9.740 ( 10.016 0.216 4.359) 10.925 11.272 ( -5.117 -10.443 -5.979) 13.076 11.367 ( -7.371 -4.663 -11.779) 14.657 11.515 ( 4.109 -2.610 -7.618) 9.041 11.800 ( -3.662 0.553 -2.996) 4.764 11.866 ( 2.940 -3.590 0.136) 4.642 12.019 ( 0.038 5.370 1.080) 5.478 12.400 ( -5.355 3.478 -3.023) 7.064 12.717 ( 8.543 4.547 -19.108) 21.419 13.786 ( 0.351 -0.217 6.094) 6.108 13.996 ( 0.471 -0.220 -4.949) 4.976 15.502 ( 1.753 0.785 -5.688) 6.003 15.585 ( 1.092 4.916 -6.739) 8.413 15.764 ( -0.904 -3.742 5.236) 6.499 15.805 ( -1.749 -1.053 6.891) 7.187 16.526 ( 0.160 -0.502 3.187) 3.230 17.038 ( -7.110 -12.862 0.043) 14.697 21.031 ( 1.460 1.728 3.448) 4.124 21.507 ( -2.076 -2.112 1.418) 3.284 22.037 ( 1.066 0.498 1.232) 1.703 22.112 ( 1.136 5.447 1.280) 5.710 22.296 ( -0.007 -3.088 0.747) 3.177 22.404 ( -1.645 2.167 2.425) 3.645 22.866 ( 2.803 1.066 1.462) 3.336 22.923 ( 1.852 4.463 2.176) 5.300 23.437 ( -0.887 -3.619 -3.155) 4.883 23.487 ( -1.596 -1.007 -2.263) 2.947 23.684 ( 0.606 1.217 4.289) 4.499 23.966 ( -0.319 0.253 3.479) 3.503 23.985 ( 0.922 0.159 3.135) 3.272 24.010 ( 0.048 0.802 1.516) 1.716 24.025 ( 0.653 -0.065 -3.153) 3.220 24.082 ( -0.118 1.879 -3.193) 3.706 24.732 ( 1.100 1.595 -1.067) 2.211 24.976 ( -0.960 -1.345 0.232) 1.669 45.256 ( -2.435 9.572 16.378) 19.125 45.509 ( 13.477 7.517 17.454) 23.297 46.484 ( -14.360 -1.372 23.269) 27.377 46.663 ( -12.760 7.166 13.938) 20.210 47.051 ( 9.946 7.621 20.860) 24.334 48.632 ( 13.747 7.027 -0.302) 15.441 54.245 ( -1.950 -3.195 -9.205) 9.937 54.411 ( 0.443 -0.672 -6.689) 6.737 54.618 ( -0.642 -4.544 -5.643) 7.274 54.767 ( 1.401 1.165 -3.561) 4.000 54.819 ( 1.225 1.248 -1.176) 2.107 55.003 ( 1.442 1.393 -0.329) 2.032 ======================= Grid point 12 (8/85) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 18.156 11.453 16.254) 26.926 2.172 ( 17.758 20.442 19.131) 33.154 3.042 ( 0.780 16.205 21.828) 27.197 3.963 ( -5.872 -7.065 3.520) 9.838 4.125 ( -15.705 -5.666 -24.784) 29.883 4.661 ( -4.633 -5.313 -4.342) 8.279 5.105 ( 5.892 -14.023 9.965) 18.184 5.321 ( -0.123 -9.212 0.979) 9.265 5.579 ( 1.167 3.964 10.360) 11.153 5.876 ( -1.897 7.154 -3.187) 8.058 6.169 ( -2.198 1.196 4.272) 4.951 6.221 ( -0.115 4.187 -0.910) 4.287 6.267 ( -1.445 -1.337 -2.956) 3.552 6.635 ( -3.933 2.858 -4.394) 6.553 7.046 ( 6.327 1.620 6.010) 8.876 7.274 ( -4.646 10.498 8.493) 14.280 8.343 ( -1.892 2.096 -7.895) 8.385 8.968 ( -12.828 -8.894 -2.711) 15.843 9.288 ( 23.081 8.975 6.561) 25.619 9.998 ( 15.962 2.217 6.649) 17.433 10.946 ( -10.064 -12.938 -16.608) 23.334 11.061 ( -8.771 -9.334 -10.837) 16.778 11.474 ( 4.083 -1.686 -6.245) 7.650 11.715 ( -4.983 -0.523 -1.467) 5.221 11.927 ( 6.149 -0.964 2.146) 6.583 12.092 ( 0.722 8.195 0.849) 8.270 12.313 ( -4.184 2.753 -4.337) 6.626 12.612 ( 0.899 -2.992 -11.180) 11.608 13.869 ( 0.502 -0.875 8.110) 8.173 13.938 ( 0.709 -0.611 -6.048) 6.120 15.475 ( 4.047 1.338 -7.685) 8.788 15.553 ( 1.643 5.051 -8.720) 10.211 15.782 ( -1.201 -4.009 5.544) 6.946 15.859 ( -4.117 -0.989 10.896) 11.690 16.563 ( 0.909 -0.284 2.704) 2.867 16.845 ( -5.582 -7.107 -3.998) 9.882 21.110 ( 2.679 1.842 2.755) 4.262 21.458 ( -4.211 -2.819 1.067) 5.179 22.071 ( 1.532 0.012 1.186) 1.937 22.169 ( -0.698 3.327 0.678) 3.467 22.295 ( 0.822 -0.213 1.281) 1.537 22.423 ( -2.735 2.465 2.673) 4.550 22.947 ( 4.871 0.524 2.200) 5.371 23.018 ( 2.664 4.542 2.313) 5.751 23.353 ( -1.235 -4.196 -3.287) 5.472 23.419 ( -2.900 -1.105 -2.609) 4.054 23.763 ( 1.174 1.526 5.278) 5.618 23.943 ( -0.827 -1.127 -4.997) 5.189 24.020 ( 0.158 0.137 3.837) 3.843 24.039 ( 0.639 0.495 1.722) 1.902 24.048 ( 0.220 0.711 2.234) 2.354 24.056 ( 0.042 1.258 -3.285) 3.518 24.758 ( 2.090 1.974 -0.949) 3.028 24.948 ( -1.807 -1.489 0.344) 2.366 45.524 ( 2.345 11.452 15.205) 19.180 45.903 ( 10.121 5.930 11.572) 16.477 46.484 ( -15.783 -0.281 13.553) 20.805 46.646 ( -22.369 7.358 18.392) 29.879 47.640 ( 20.743 12.738 26.656) 36.098 48.806 ( 5.312 1.193 -1.733) 5.714 54.081 ( -2.116 -3.466 -7.971) 8.946 54.250 ( -5.578 -2.821 -10.234) 11.992 54.587 ( 6.997 -3.696 -3.483) 8.646 54.758 ( -0.457 2.508 -1.954) 3.212 54.849 ( 4.707 1.371 -2.752) 5.622 55.036 ( 1.064 1.201 0.503) 1.682 ======================= Grid point 13 (9/85) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 11.966 9.336 7.813) 17.070 2.791 ( 13.799 16.259 18.480) 28.218 3.086 ( -8.488 1.843 -3.834) 9.495 3.543 ( -14.862 -6.315 -24.172) 29.070 4.143 ( 7.752 3.610 14.708) 17.013 4.426 ( -14.454 -5.880 -5.181) 16.442 5.158 ( 7.269 -16.623 -0.175) 18.144 5.284 ( 0.894 -10.403 11.015) 15.178 5.720 ( -0.690 5.583 1.976) 5.963 5.801 ( -9.003 8.302 -0.482) 12.256 6.146 ( 0.099 -0.556 -0.099) 0.573 6.205 ( -2.190 -0.876 -2.116) 3.169 6.361 ( 4.107 6.283 4.428) 8.715 6.555 ( -5.142 1.287 -0.569) 5.331 7.192 ( 5.233 1.006 0.353) 5.341 7.371 ( -7.027 8.166 9.003) 14.040 8.287 ( 3.869 3.946 -5.575) 7.850 8.682 ( -13.820 -6.553 0.626) 15.307 9.832 ( 27.913 10.120 9.619) 31.210 10.331 ( 16.872 2.160 2.527) 17.196 10.471 ( -13.015 -12.971 -14.168) 23.203 10.719 ( -8.643 -11.721 -13.515) 19.868 11.470 ( 4.855 -0.193 -3.748) 6.136 11.634 ( -4.263 -1.323 0.400) 4.481 12.059 ( 7.358 1.569 3.461) 8.281 12.134 ( -2.159 3.627 -3.511) 5.491 12.286 ( 2.357 5.040 0.320) 5.573 12.462 ( -4.700 -3.295 -5.655) 8.058 13.872 ( 0.464 -0.981 -5.801) 5.901 13.968 ( 0.493 -1.432 9.740) 9.857 15.459 ( 5.298 1.287 -8.505) 10.103 15.526 ( 2.707 5.018 -8.091) 9.897 15.787 ( -2.308 -3.988 5.302) 7.024 15.911 ( -5.700 -0.994 11.325) 12.718 16.606 ( 2.159 0.178 1.033) 2.400 16.684 ( -3.327 -3.924 -5.709) 7.684 21.195 ( 3.688 2.003 1.783) 4.560 21.374 ( -5.652 -3.132 0.537) 6.484 22.105 ( 1.930 -0.634 0.698) 2.149 22.163 ( -2.280 0.157 0.881) 2.450 22.336 ( 0.506 3.547 0.681) 3.647 22.421 ( -3.937 1.908 1.947) 4.789 23.048 ( 4.974 0.375 1.985) 5.369 23.100 ( 1.221 1.760 1.264) 2.487 23.281 ( 0.400 -2.445 -1.716) 3.014 23.337 ( -3.282 -1.038 -2.366) 4.177 23.854 ( -0.622 -0.424 -2.991) 3.084 23.856 ( 0.654 0.889 2.621) 2.844 24.020 ( 0.162 0.562 -4.038) 4.080 24.052 ( 0.059 0.239 0.141) 0.283 24.072 ( -0.096 0.001 3.630) 3.631 24.080 ( -0.536 0.143 2.793) 2.847 24.798 ( 2.734 1.999 -0.696) 3.457 24.911 ( -2.474 -1.482 0.470) 2.922 45.819 ( 4.461 10.746 11.650) 16.465 46.115 ( 0.943 4.303 3.257) 5.479 46.359 ( -19.369 0.117 10.521) 22.042 46.579 ( -21.313 3.079 14.661) 26.051 48.317 ( 18.046 12.139 23.274) 31.854 48.695 ( -10.325 -5.264 -10.197) 15.436 54.000 ( 2.464 -1.164 -2.582) 3.754 54.057 ( -2.686 -2.313 -7.119) 7.953 54.634 ( 7.396 -2.271 -2.477) 8.124 54.748 ( -1.261 1.382 -0.644) 1.978 54.898 ( 6.049 1.208 -4.197) 7.461 55.050 ( -0.837 0.344 0.274) 0.946 ======================= Grid point 14 (10/85) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -9.721 0.372 -21.260) 23.380 2.648 ( -24.023 -7.969 -5.232) 25.846 3.276 ( 0.080 2.001 4.882) 5.277 3.480 ( 25.198 17.155 9.843) 32.033 3.996 ( -20.885 -6.464 -10.449) 24.231 4.444 ( 6.611 4.621 5.237) 9.617 5.079 ( 7.921 -20.795 -1.908) 22.334 5.396 ( 1.576 -6.942 14.354) 16.022 5.605 ( -10.309 7.520 -5.973) 14.089 5.901 ( 0.516 6.054 7.132) 9.369 6.098 ( -1.921 0.110 -5.907) 6.213 6.160 ( -2.117 2.080 -1.149) 3.183 6.486 ( -0.652 -0.396 4.479) 4.544 6.541 ( 0.153 3.938 4.742) 6.166 7.174 ( -1.340 -2.816 -5.544) 6.361 7.377 ( -12.132 5.765 4.712) 14.235 8.431 ( 12.846 5.226 1.263) 13.925 8.550 ( -6.736 0.829 7.656) 10.231 9.922 ( -15.616 -14.113 -17.412) 27.317 10.281 ( 0.666 -5.906 -12.688) 14.012 10.465 ( 17.595 2.849 7.508) 19.342 10.692 ( 17.206 2.967 5.446) 18.290 11.522 ( 6.056 0.963 -1.458) 6.303 11.599 ( -1.537 -0.746 2.556) 3.074 12.041 ( -3.732 -0.236 -4.603) 5.931 12.221 ( 2.442 4.294 5.587) 7.458 12.305 ( -4.917 -2.022 -3.436) 6.330 12.451 ( 9.956 4.987 3.810) 11.769 13.808 ( 0.044 -1.004 -4.539) 4.649 14.077 ( 0.065 -1.776 10.934) 11.078 15.451 ( 5.086 1.398 -7.309) 9.014 15.525 ( 4.322 4.267 -7.670) 9.783 15.776 ( -3.339 -3.726 5.190) 7.209 15.935 ( -6.786 -1.099 9.610) 11.815 16.564 ( -1.401 -1.952 -5.551) 6.049 16.645 ( 3.663 0.719 -2.193) 4.330 21.268 ( -6.295 -2.949 -0.106) 6.952 21.283 ( 4.326 2.094 0.916) 4.893 22.110 ( -0.428 -1.261 -0.612) 1.466 22.163 ( 0.187 -0.256 2.371) 2.392 22.357 ( -1.941 2.740 -1.012) 3.507 22.393 ( -4.182 2.199 1.197) 4.874 23.058 ( -1.603 -3.399 -2.453) 4.488 23.121 ( -1.092 -0.166 0.742) 1.331 23.289 ( 1.606 -0.796 0.038) 1.793 23.317 ( 3.252 2.239 1.290) 4.153 23.761 ( -1.594 -0.837 -5.365) 5.659 23.942 ( 1.174 1.110 3.637) 3.980 23.981 ( 0.131 0.285 -2.937) 2.953 24.043 ( -0.817 -0.026 -0.958) 1.259 24.088 ( -1.132 -0.643 1.934) 2.331 24.112 ( -0.569 0.126 3.227) 3.279 24.847 ( 2.980 1.694 -0.460) 3.459 24.868 ( -2.872 -1.339 0.572) 3.220 45.950 ( -13.879 -2.831 1.232) 14.218 46.105 ( -2.134 7.733 5.562) 9.762 46.286 ( -11.003 7.252 6.423) 14.660 46.419 ( -20.638 -0.886 7.472) 21.967 48.215 ( -23.194 -10.954 -19.187) 32.033 48.781 ( 7.632 5.899 12.206) 15.558 53.988 ( 4.922 -0.724 -2.201) 5.440 54.107 ( 6.797 3.104 5.223) 9.116 54.688 ( 5.444 -0.884 -1.795) 5.800 54.728 ( -1.284 -1.151 0.107) 1.727 54.932 ( 5.291 0.243 -4.935) 7.240 55.024 ( -2.747 -0.262 -0.411) 2.790 ======================= Grid point 15 (11/85) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -19.496 -3.357 -30.413) 36.281 2.146 ( -26.469 -10.930 -7.871) 29.699 3.185 ( -34.217 -8.516 -0.610) 35.266 3.760 ( 8.735 8.229 3.821) 12.595 4.068 ( 22.605 16.064 8.555) 29.021 4.538 ( 7.546 -0.439 -7.712) 10.799 5.027 ( 9.311 -17.244 -2.192) 19.720 5.474 ( -8.818 2.608 0.736) 9.225 5.498 ( -3.574 -2.936 10.052) 11.065 5.961 ( 1.264 -0.831 -4.099) 4.369 6.041 ( -3.314 3.804 -0.226) 5.050 6.172 ( -0.159 7.756 2.375) 8.113 6.487 ( -3.933 -3.844 6.342) 8.395 6.644 ( 3.257 2.326 1.306) 4.210 7.040 ( -4.059 -4.618 -4.404) 7.563 7.265 ( -14.433 6.081 2.015) 15.791 8.538 ( -2.088 1.060 7.045) 7.424 8.788 ( 14.402 6.939 5.233) 16.821 9.431 ( -14.765 -11.347 -11.030) 21.643 9.937 ( -5.990 -9.908 -15.942) 19.703 10.934 ( 19.311 2.301 6.337) 20.454 11.005 ( 18.293 6.235 5.701) 20.150 11.590 ( 3.271 -1.225 1.345) 3.743 11.654 ( 4.451 2.497 2.221) 5.566 11.941 ( -3.293 -1.490 -2.830) 4.590 12.158 ( -7.939 -0.499 -0.900) 8.005 12.353 ( 0.577 5.401 3.626) 6.531 12.739 ( 16.913 2.961 7.809) 18.862 13.756 ( -0.425 -0.762 -2.943) 3.069 14.183 ( -1.278 -1.908 11.744) 11.966 15.462 ( 4.522 1.407 -4.545) 6.564 15.534 ( 4.788 2.781 -7.048) 8.963 15.758 ( -3.323 -2.743 4.674) 6.357 15.922 ( -7.046 -1.056 6.759) 9.820 16.489 ( -0.043 -0.755 -4.141) 4.209 16.660 ( 4.907 1.039 -7.306) 8.862 21.154 ( -6.280 -2.312 -0.702) 6.729 21.366 ( 4.354 1.859 0.283) 4.743 22.080 ( -1.609 -1.005 -0.360) 1.931 22.195 ( 0.589 -0.639 2.097) 2.270 22.301 ( -3.827 -0.784 -1.338) 4.130 22.378 ( -2.901 4.005 -0.341) 4.957 22.969 ( -2.351 -4.136 -2.039) 5.176 23.060 ( -5.565 -0.133 -1.020) 5.659 23.355 ( 5.132 -0.354 1.844) 5.465 23.401 ( 3.490 2.466 1.284) 4.462 23.681 ( -1.377 -0.520 -3.962) 4.227 23.934 ( -0.370 0.162 -2.725) 2.755 24.000 ( -0.535 -0.577 0.115) 0.795 24.016 ( -0.892 0.540 -0.082) 1.046 24.091 ( -0.915 -0.778 2.817) 3.063 24.133 ( -0.969 0.368 1.977) 2.233 24.825 ( -2.917 -1.056 0.571) 3.154 24.895 ( 2.893 1.193 -0.272) 3.141 45.637 ( -24.032 -4.472 0.838) 24.458 46.074 ( -24.156 -6.061 0.328) 24.906 46.111 ( -6.496 3.756 -5.571) 9.345 46.396 ( -4.771 12.774 8.253) 15.939 47.534 ( -25.844 -12.109 -20.255) 34.997 48.906 ( -1.788 -1.166 1.438) 2.574 54.105 ( 10.042 1.020 2.494) 10.397 54.327 ( 7.763 5.060 7.919) 12.189 54.687 ( -1.347 -2.687 -0.426) 3.036 54.733 ( 3.814 -0.735 -1.376) 4.120 54.934 ( 1.445 -1.249 -2.710) 3.315 54.975 ( -1.213 0.185 -2.150) 2.476 ======================= Grid point 16 (12/85) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -22.748 -3.045 -24.076) 33.262 1.574 ( -31.036 -9.361 -7.598) 33.296 2.449 ( -49.852 -8.157 -6.592) 50.944 4.125 ( 14.644 9.329 11.908) 21.055 4.521 ( 11.068 -4.166 -11.894) 16.773 4.558 ( 17.606 11.829 7.397) 22.464 4.990 ( 8.271 -9.993 -6.975) 14.728 5.395 ( -6.886 -0.371 3.495) 7.731 5.482 ( -7.500 -1.999 4.154) 8.803 5.938 ( -0.317 0.368 -3.870) 3.901 6.002 ( -5.601 3.310 4.594) 7.965 6.301 ( 4.503 5.040 2.175) 7.100 6.461 ( -2.183 -4.185 2.685) 5.431 6.686 ( 1.778 0.042 -1.005) 2.043 6.903 ( -4.276 -3.684 -3.522) 6.653 7.157 ( -13.965 6.875 4.288) 16.145 8.583 ( -3.361 0.718 4.714) 5.834 8.851 ( -5.001 -7.229 -9.074) 12.634 9.301 ( 5.362 4.342 7.646) 10.299 9.659 ( -0.969 -6.507 -11.736) 13.454 11.161 ( 10.766 0.986 0.466) 10.821 11.392 ( 16.359 4.492 5.662) 17.885 11.627 ( 1.882 -2.736 1.131) 3.508 11.771 ( 4.686 4.806 1.011) 6.789 11.875 ( 0.045 -3.349 -0.613) 3.405 12.051 ( -6.222 0.443 -0.350) 6.248 12.422 ( -0.342 3.413 2.118) 4.031 13.125 ( 19.657 2.282 10.958) 22.620 13.718 ( -0.825 -0.404 -1.461) 1.726 14.270 ( -3.524 -1.603 11.690) 12.314 15.495 ( 3.520 0.941 -1.226) 3.845 15.539 ( 3.443 0.954 -4.805) 5.987 15.751 ( -1.530 -1.053 2.799) 3.359 15.880 ( -6.141 -0.656 3.359) 7.030 16.455 ( 0.650 -0.144 -2.092) 2.196 16.619 ( 4.439 0.673 -13.043) 13.794 21.047 ( -5.606 -1.288 -0.845) 5.814 21.435 ( 3.592 1.086 -0.077) 3.753 22.044 ( -1.863 -0.667 -0.309) 2.002 22.178 ( -5.646 -0.199 0.699) 5.693 22.259 ( 2.297 -1.795 -0.807) 3.025 22.372 ( -1.569 2.946 0.020) 3.338 22.891 ( -2.387 -2.572 -1.013) 3.652 22.968 ( -5.956 -0.088 -0.593) 5.986 23.440 ( 4.674 -0.151 1.179) 4.823 23.474 ( 2.972 1.485 0.754) 3.407 23.628 ( -1.013 -0.231 -2.006) 2.259 23.905 ( -0.440 0.145 -1.438) 1.510 23.959 ( -2.121 -0.617 -1.191) 2.509 24.004 ( -1.523 -0.124 -0.238) 1.546 24.108 ( -0.358 -1.001 1.866) 2.148 24.144 ( -0.745 1.003 1.544) 1.986 24.785 ( -2.581 -0.608 0.369) 2.677 24.938 ( 2.512 0.605 -0.118) 2.586 45.276 ( -23.311 -2.947 -0.467) 23.501 45.619 ( -27.958 -6.868 -4.098) 29.079 45.948 ( -9.254 3.420 -7.932) 12.658 46.519 ( -4.394 10.799 6.780) 13.487 46.940 ( -18.156 -9.515 -13.423) 24.502 48.817 ( -5.015 -3.903 -1.669) 6.571 54.284 ( 9.575 0.294 2.019) 9.790 54.520 ( 1.205 3.776 4.348) 5.883 54.659 ( 2.922 -2.530 1.117) 4.023 54.760 ( 2.980 0.151 -1.664) 3.417 54.891 ( -2.999 -1.115 0.025) 3.200 54.964 ( 2.788 0.062 -2.203) 3.554 ======================= Grid point 17 (13/85) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -26.644 0.000 0.000) 26.644 1.012 ( -35.432 0.000 0.000) 35.432 1.618 ( -56.671 0.000 0.000) 56.671 4.507 ( 14.365 -0.000 -0.000) 14.365 4.531 ( 13.044 -0.000 -0.000) 13.044 4.895 ( 11.621 -0.000 -0.000) 11.621 4.958 ( 4.492 -0.000 -0.000) 4.492 5.330 ( -6.094 0.000 0.000) 6.094 5.397 ( -5.851 0.000 0.000) 5.851 5.829 ( -9.744 0.000 0.000) 9.744 6.072 ( 3.990 -0.000 -0.000) 3.990 6.349 ( -0.223 0.000 0.000) 0.223 6.470 ( 3.874 -0.000 -0.000) 3.874 6.693 ( 0.587 -0.000 -0.000) 0.587 6.809 ( -3.107 0.000 0.000) 3.107 7.040 ( -12.672 0.000 0.000) 12.672 8.553 ( -3.812 0.000 0.000) 3.812 8.645 ( -8.582 0.000 0.000) 8.582 9.501 ( 7.784 -0.000 -0.000) 7.784 9.565 ( 2.697 -0.000 -0.000) 2.697 11.284 ( 6.387 -0.000 -0.000) 6.387 11.596 ( 4.566 -0.000 -0.000) 4.566 11.623 ( -0.445 0.000 0.000) 0.445 11.871 ( 4.981 -0.000 -0.000) 4.981 11.892 ( 5.426 -0.000 -0.000) 5.426 11.989 ( -2.878 0.000 0.000) 2.878 12.444 ( -0.242 0.000 0.000) 0.242 13.516 ( 21.547 -0.000 -0.000) 21.547 13.696 ( -0.896 0.000 0.000) 0.896 14.295 ( -5.235 0.000 0.000) 5.235 15.539 ( 1.751 -0.000 -0.000) 1.751 15.540 ( 1.483 -0.000 -0.000) 1.483 15.758 ( 0.564 -0.000 -0.000) 0.564 15.825 ( -3.945 0.000 0.000) 3.945 16.453 ( 0.687 -0.000 -0.000) 0.687 16.535 ( 0.128 -0.000 -0.000) 0.128 20.967 ( -4.172 0.000 0.000) 4.172 21.480 ( 2.381 -0.000 -0.000) 2.381 22.015 ( -1.548 0.000 0.000) 1.548 22.100 ( -5.130 0.000 0.000) 5.130 22.286 ( 2.759 -0.000 -0.000) 2.759 22.379 ( 0.330 -0.000 -0.000) 0.330 22.842 ( -2.282 0.000 0.000) 2.282 22.886 ( -5.176 0.000 0.000) 5.176 23.503 ( 3.454 -0.000 -0.000) 3.454 23.521 ( 2.202 -0.000 -0.000) 2.202 23.604 ( -0.695 0.000 0.000) 0.695 23.892 ( -0.338 0.000 0.000) 0.338 23.918 ( -2.009 0.000 0.000) 2.009 23.978 ( -1.590 0.000 0.000) 1.590 24.105 ( -0.603 0.000 0.000) 0.603 24.155 ( -0.154 0.000 0.000) 0.154 24.753 ( -1.939 0.000 0.000) 1.939 24.970 ( 1.856 -0.000 -0.000) 1.856 44.960 ( -18.479 0.000 0.000) 18.479 45.194 ( -22.435 0.000 0.000) 22.435 45.766 ( -10.096 0.000 0.000) 10.096 46.581 ( -10.654 0.000 0.000) 10.654 46.599 ( -2.855 0.000 0.000) 2.855 48.731 ( -3.207 0.000 0.000) 3.207 54.399 ( 5.686 -0.000 -0.000) 5.686 54.515 ( -2.970 0.000 0.000) 2.970 54.743 ( 4.818 -0.000 -0.000) 4.818 54.786 ( 2.115 -0.000 -0.000) 2.115 54.849 ( -2.129 0.000 0.000) 2.129 54.993 ( 2.516 -0.000 -0.000) 2.516 ======================= Grid point 20 (14/85) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -0.000 14.794 18.834) 23.950 1.923 ( -0.000 21.837 19.958) 29.583 3.040 ( -0.000 24.250 39.633) 46.463 4.097 ( 0.000 -12.232 -7.894) 14.558 4.356 ( 0.000 -7.156 -32.996) 33.763 4.702 ( -0.000 1.397 2.287) 2.680 5.026 ( -0.000 -14.950 10.099) 18.042 5.383 ( -0.000 -9.257 3.991) 10.081 5.468 ( -0.000 -3.947 12.148) 12.773 5.915 ( -0.000 6.572 0.655) 6.605 6.127 ( -0.000 8.658 -0.340) 8.664 6.243 ( -0.000 -0.748 1.321) 1.518 6.378 ( -0.000 -1.047 0.928) 1.399 6.731 ( 0.000 7.165 -6.194) 9.471 6.912 ( -0.000 -1.976 6.049) 6.363 7.410 ( -0.000 15.092 8.766) 17.453 8.403 ( 0.000 3.807 -7.432) 8.351 8.774 ( -0.000 5.150 6.883) 8.597 9.318 ( 0.000 -6.717 -2.530) 7.178 9.664 ( -0.000 -1.284 1.502) 1.976 11.085 ( 0.000 -13.589 -14.659) 19.989 11.234 ( 0.000 -10.838 -15.454) 18.876 11.369 ( 0.000 -0.709 -5.789) 5.832 11.798 ( 0.000 0.694 -2.702) 2.789 11.829 ( -0.000 -2.233 1.016) 2.454 12.084 ( -0.000 8.002 1.136) 8.083 12.474 ( 0.000 2.525 -15.348) 15.554 12.475 ( -0.000 2.764 -0.066) 2.765 13.860 ( -0.000 -1.345 8.358) 8.465 13.931 ( 0.000 -1.691 -4.781) 5.071 15.414 ( 0.000 1.878 -8.649) 8.850 15.527 ( 0.000 6.060 -9.823) 11.541 15.802 ( -0.000 -4.959 6.906) 8.502 15.920 ( -0.000 -1.132 11.428) 11.484 16.551 ( -0.000 -0.776 2.469) 2.589 16.939 ( 0.000 -10.459 -6.738) 12.441 21.073 ( -0.000 1.087 3.489) 3.654 21.522 ( -0.000 -2.506 1.506) 2.923 22.047 ( -0.000 0.474 1.062) 1.163 22.182 ( -0.000 7.306 2.538) 7.734 22.286 ( -0.000 -2.338 1.211) 2.633 22.464 ( -0.000 1.735 3.493) 3.901 22.874 ( -0.000 1.616 1.470) 2.184 22.972 ( -0.000 4.226 2.744) 5.039 23.371 ( 0.000 -4.543 -3.710) 5.866 23.461 ( 0.000 -1.208 -2.687) 2.946 23.746 ( -0.000 1.836 5.111) 5.431 23.951 ( 0.000 -1.097 -4.606) 4.735 24.017 ( -0.000 0.163 2.803) 2.808 24.030 ( -0.000 0.567 3.376) 3.423 24.043 ( -0.000 0.895 1.835) 2.041 24.060 ( 0.000 1.659 -2.408) 2.924 24.727 ( 0.000 2.054 -1.021) 2.294 24.974 ( -0.000 -1.423 0.263) 1.447 45.596 ( -0.000 11.398 16.379) 19.954 45.652 ( -0.000 5.884 20.474) 21.303 46.876 ( -0.000 8.404 12.739) 15.261 47.038 ( -0.000 10.068 33.613) 35.089 47.288 ( -0.000 4.225 20.318) 20.753 48.597 ( -0.000 6.646 3.227) 7.388 54.139 ( 0.000 -1.825 -9.173) 9.353 54.301 ( 0.000 -2.356 -9.299) 9.593 54.497 ( 0.000 -6.853 -8.683) 11.062 54.693 ( 0.000 0.621 -5.150) 5.187 54.826 ( 0.000 2.032 -0.489) 2.090 55.010 ( -0.000 3.604 0.101) 3.605 ======================= Grid point 21 (15/85) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 13.099 10.051 13.277) 21.187 2.358 ( 8.065 22.054 15.997) 28.413 3.528 ( -13.571 13.266 20.545) 27.969 3.847 ( -5.482 -4.662 -34.260) 35.008 3.971 ( 5.090 -6.859 2.493) 8.897 4.717 ( -5.662 0.306 3.327) 6.574 4.993 ( 3.303 -19.430 3.481) 20.014 5.329 ( -3.643 -9.761 9.268) 13.944 5.637 ( 5.345 0.612 9.699) 11.091 5.968 ( -1.607 5.512 1.358) 5.899 6.112 ( 2.303 -0.934 -5.790) 6.301 6.300 ( -5.368 4.635 4.864) 8.600 6.382 ( -2.829 1.942 5.425) 6.419 6.685 ( -4.388 6.254 -4.429) 8.831 7.004 ( 6.525 -0.405 2.433) 6.976 7.582 ( -6.843 12.845 11.587) 18.603 8.312 ( -3.664 3.832 -8.376) 9.913 9.020 ( 6.554 0.941 5.395) 8.541 9.169 ( -0.247 1.274 0.737) 1.493 9.812 ( 17.106 -0.490 1.684) 17.196 10.748 ( -5.330 -14.540 -17.718) 23.532 10.909 ( -4.827 -13.595 -16.401) 21.843 11.331 ( 4.149 -1.315 -5.622) 7.110 11.751 ( -3.181 -0.372 -1.768) 3.659 11.857 ( 4.830 -1.039 0.759) 4.998 12.164 ( -0.194 8.729 0.214) 8.734 12.313 ( -1.991 0.590 -8.629) 8.876 12.510 ( 0.423 2.051 -1.400) 2.519 13.863 ( 0.141 -2.027 -4.725) 5.143 13.951 ( 0.471 -2.447 9.668) 9.984 15.346 ( 2.296 2.245 -8.890) 9.452 15.469 ( 1.182 5.938 -9.959) 11.655 15.835 ( -0.935 -5.202 6.929) 8.714 16.032 ( -2.457 -0.570 12.108) 12.368 16.569 ( 0.599 -0.793 1.107) 1.488 16.765 ( -1.913 -6.665 -8.353) 10.856 21.125 ( 1.322 0.717 2.768) 3.150 21.497 ( -2.631 -2.846 1.159) 4.045 22.064 ( 0.791 -0.168 0.688) 1.062 22.243 ( -3.052 3.091 2.173) 4.857 22.310 ( 1.515 3.384 2.152) 4.287 22.509 ( -1.750 2.087 3.561) 4.483 22.923 ( 2.771 1.124 1.883) 3.534 23.048 ( 1.659 3.689 2.664) 4.843 23.286 ( -0.323 -5.059 -3.714) 6.285 23.410 ( -1.483 -1.196 -2.763) 3.357 23.826 ( 0.562 2.129 5.361) 5.796 23.880 ( -0.418 -1.211 -5.562) 5.707 24.015 ( 0.173 0.985 -3.914) 4.040 24.052 ( -0.067 0.219 1.431) 1.449 24.072 ( 0.034 -0.014 3.493) 3.493 24.091 ( -0.204 0.647 3.435) 3.502 24.742 ( 1.112 2.246 -0.744) 2.614 24.960 ( -0.930 -1.326 0.301) 1.647 45.812 ( -3.396 9.840 16.093) 19.166 45.979 ( 6.389 5.426 13.693) 16.054 46.950 ( -19.040 8.098 17.180) 26.893 47.280 ( -23.620 7.577 21.162) 32.606 47.781 ( 19.271 12.774 30.131) 37.980 48.738 ( 5.351 2.294 2.152) 6.207 53.998 ( -2.704 -2.098 -7.815) 8.531 54.145 ( -1.324 -3.646 -13.851) 14.384 54.391 ( 6.898 -6.179 -5.616) 10.830 54.678 ( 4.861 0.954 -5.422) 7.344 54.831 ( -0.889 2.087 -0.343) 2.295 55.051 ( 0.365 3.794 0.558) 3.853 ======================= Grid point 22 (16/85) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 13.466 4.326 1.846) 14.264 2.857 ( 15.679 22.314 11.343) 29.537 3.276 ( -16.158 -7.783 -19.707) 26.646 3.398 ( -12.066 -1.041 -7.810) 14.411 4.244 ( 4.315 7.614 12.859) 15.555 4.595 ( -14.013 -1.911 0.067) 14.143 4.897 ( 4.393 -21.474 1.018) 21.942 5.373 ( -0.895 -7.088 15.108) 16.712 5.781 ( 0.086 4.170 2.924) 5.093 5.961 ( -4.332 2.833 0.240) 5.182 6.093 ( 3.067 -0.681 -2.925) 4.292 6.270 ( -7.556 2.025 3.070) 8.403 6.454 ( -0.936 3.919 6.095) 7.307 6.639 ( -3.642 4.015 -0.191) 5.424 7.097 ( 6.100 -0.115 -3.337) 6.954 7.710 ( -9.549 10.501 14.006) 19.941 8.217 ( -0.051 4.113 -6.942) 8.069 8.862 ( -14.216 -2.538 3.473) 14.852 9.591 ( 28.543 8.540 5.768) 30.347 10.080 ( 17.154 -0.861 -3.968) 17.628 10.353 ( -5.420 -12.811 -11.367) 17.964 10.535 ( -5.321 -14.841 -16.626) 22.913 11.337 ( 6.403 -1.207 -4.298) 7.806 11.682 ( -3.631 -0.903 -0.228) 3.748 11.969 ( 10.114 0.405 1.395) 10.218 12.144 ( -3.263 1.282 -5.365) 6.409 12.290 ( 2.095 4.198 -1.418) 4.901 12.497 ( -4.535 3.920 0.584) 6.023 13.801 ( 0.374 -1.800 -3.980) 4.384 14.052 ( 1.246 -2.925 9.919) 10.417 15.313 ( 4.030 2.002 -7.762) 8.972 15.434 ( 2.336 5.187 -8.456) 10.192 15.848 ( -1.790 -4.720 5.755) 7.655 16.108 ( -4.936 -0.264 10.728) 11.812 16.579 ( 1.332 -0.606 -0.830) 1.683 16.608 ( -1.533 -3.723 -7.493) 8.506 21.184 ( 2.626 0.747 1.843) 3.294 21.432 ( -4.890 -2.821 0.727) 5.692 22.080 ( 1.266 -0.773 0.220) 1.500 22.228 ( -3.646 0.471 2.242) 4.307 22.386 ( -0.296 5.930 1.512) 6.127 22.522 ( -4.018 2.329 2.681) 5.362 23.005 ( 4.530 0.408 1.649) 4.838 23.109 ( 0.204 -0.046 0.791) 0.819 23.226 ( 2.236 -2.196 -1.411) 3.437 23.342 ( -2.585 -0.971 -2.309) 3.599 23.796 ( -0.889 -1.123 -5.618) 5.798 23.913 ( 0.788 2.010 4.952) 5.402 23.977 ( 0.195 0.571 -3.928) 3.974 24.061 ( -0.534 0.133 0.423) 0.694 24.106 ( -0.102 -0.577 2.672) 2.735 24.127 ( -0.532 0.312 3.218) 3.277 24.775 ( 1.986 2.010 -0.459) 2.863 24.935 ( -1.759 -1.122 0.336) 2.113 46.013 ( -1.360 7.597 11.515) 13.862 46.186 ( 1.306 4.113 6.339) 7.668 46.900 ( -26.004 7.946 18.746) 33.026 47.158 ( -29.418 4.607 15.687) 33.656 48.451 ( 13.741 11.694 22.332) 28.710 48.713 ( -8.483 -2.282 -2.755) 9.206 53.882 ( 2.292 -4.013 -9.718) 10.761 53.984 ( 1.463 -0.552 -4.545) 4.807 54.433 ( 11.554 -4.082 -4.430) 13.030 54.699 ( 5.333 0.746 -5.353) 7.592 54.831 ( -0.559 1.292 -0.208) 1.423 55.078 ( -1.140 2.743 0.208) 2.978 ======================= Grid point 23 (17/85) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -7.132 -1.154 -24.395) 25.443 2.801 ( -17.748 -9.632 -9.424) 22.284 3.350 ( 4.838 8.000 9.681) 13.458 3.405 ( 19.426 17.475 8.687) 27.536 4.252 ( -25.289 -0.911 1.386) 25.343 4.405 ( 2.713 -3.661 -6.916) 8.282 4.832 ( 2.800 -14.742 4.142) 15.566 5.501 ( 0.982 -5.581 15.306) 16.321 5.742 ( -8.351 2.933 -0.898) 8.897 5.972 ( -0.385 2.374 -0.222) 2.415 6.071 ( -0.627 0.897 -3.730) 3.887 6.224 ( -4.210 2.260 2.246) 5.280 6.543 ( 0.701 2.137 5.272) 5.732 6.646 ( -3.025 2.765 3.560) 5.428 7.076 ( 1.656 -2.317 -7.005) 7.562 7.729 ( -18.008 8.205 8.159) 21.405 8.294 ( 12.557 3.460 -0.136) 13.026 8.779 ( -8.910 4.348 9.596) 13.797 9.789 ( -7.698 -11.534 -15.794) 21.017 10.038 ( 5.152 -5.846 -12.450) 14.688 10.281 ( 16.116 -1.459 1.171) 16.224 10.482 ( 20.195 -0.939 2.343) 20.352 11.395 ( 8.559 -0.699 -2.367) 8.908 11.643 ( -2.064 -0.306 1.360) 2.491 12.047 ( -3.453 -0.318 -3.674) 5.052 12.178 ( 14.643 2.173 3.240) 15.154 12.305 ( -0.757 0.361 -2.163) 2.320 12.486 ( -4.139 6.104 1.945) 7.627 13.756 ( 0.395 -1.242 -2.651) 2.955 14.162 ( 2.099 -2.503 9.197) 9.760 15.315 ( 5.172 1.518 -5.570) 7.751 15.425 ( 3.101 3.702 -6.220) 7.875 15.841 ( -2.410 -3.585 4.142) 5.985 16.129 ( -6.998 -0.200 7.837) 10.508 16.498 ( -0.628 -1.780 -5.356) 5.679 16.576 ( 1.750 -0.362 -3.030) 3.518 21.251 ( 3.711 0.894 1.017) 3.951 21.338 ( -6.409 -2.289 0.296) 6.812 22.090 ( 1.007 -0.955 -0.174) 1.398 22.210 ( -2.856 0.039 2.301) 3.668 22.412 ( -3.016 3.819 -0.278) 4.874 22.502 ( -5.404 2.885 1.995) 6.442 23.018 ( -0.759 -3.556 -2.489) 4.406 23.132 ( 2.216 0.087 2.393) 3.263 23.254 ( 1.302 -0.854 -1.633) 2.256 23.306 ( 1.689 1.183 0.991) 2.288 23.716 ( -1.083 -0.770 -4.519) 4.710 23.939 ( -0.005 0.317 -2.853) 2.870 23.990 ( 0.643 1.284 3.373) 3.666 24.050 ( -1.145 0.113 -0.364) 1.207 24.119 ( -0.728 -0.791 1.887) 2.172 24.153 ( -0.599 0.152 2.284) 2.366 24.816 ( 2.557 1.432 -0.270) 2.943 24.901 ( -2.411 -0.854 0.336) 2.580 46.107 ( -6.321 1.621 4.699) 8.041 46.228 ( -4.474 3.935 1.112) 6.061 46.816 ( -25.607 9.972 18.658) 33.215 46.907 ( -32.372 2.126 10.718) 34.167 48.274 ( -24.235 -8.273 -14.496) 29.426 48.900 ( 2.173 6.367 12.823) 14.480 53.826 ( 9.312 -3.089 -6.453) 11.743 54.086 ( 8.475 3.767 4.928) 10.503 54.516 ( 11.451 -3.571 -4.505) 12.813 54.705 ( 2.534 -0.256 -3.838) 4.606 54.835 ( 1.248 0.350 -0.802) 1.524 55.064 ( -3.112 1.440 -0.435) 3.456 ======================= Grid point 24 (18/85) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -17.508 -1.390 -20.784) 27.211 2.364 ( -24.560 -7.004 -4.475) 25.928 3.602 ( -14.990 2.316 10.368) 18.373 3.820 ( 0.860 4.648 2.915) 5.553 3.964 ( 11.133 14.320 2.514) 18.311 4.309 ( 6.109 -9.871 -9.645) 15.093 4.798 ( 2.552 -8.669 -0.671) 9.062 5.627 ( -4.683 -1.514 8.935) 10.201 5.645 ( -5.713 -1.817 6.370) 8.747 5.870 ( -2.517 1.023 -10.548) 10.892 6.100 ( 1.151 2.798 1.514) 3.383 6.244 ( 0.652 2.812 1.391) 3.204 6.605 ( -3.875 -0.396 5.466) 6.712 6.649 ( -1.635 1.549 0.604) 2.332 6.987 ( -0.946 -2.443 -5.001) 5.646 7.588 ( -17.968 5.408 4.089) 19.204 8.510 ( 12.355 0.858 0.644) 12.401 8.864 ( -4.591 6.199 9.191) 11.999 9.440 ( -10.014 -5.522 -4.449) 12.270 9.723 ( -3.837 -11.136 -16.999) 20.681 10.715 ( 24.066 2.463 4.811) 24.666 10.781 ( 22.355 0.833 0.693) 22.381 11.500 ( 8.961 -0.183 -0.723) 8.992 11.649 ( 0.548 0.077 1.554) 1.650 11.964 ( -3.911 -0.249 -1.575) 4.223 12.237 ( -5.349 -0.260 -1.086) 5.464 12.437 ( 4.167 5.641 4.529) 8.348 12.549 ( 14.126 0.122 0.161) 14.128 13.731 ( 0.039 -0.584 -1.252) 1.382 14.271 ( 2.460 -1.365 6.831) 7.387 15.355 ( 5.843 0.898 -2.658) 6.482 15.436 ( 3.378 1.754 -3.538) 5.197 15.820 ( -2.710 -1.876 2.297) 4.018 16.089 ( -8.119 -0.180 4.080) 9.089 16.441 ( 0.237 -0.610 -2.687) 2.765 16.552 ( 1.272 -0.202 -4.209) 4.402 21.230 ( -7.121 -1.292 -0.051) 7.238 21.321 ( 4.290 0.745 0.386) 4.372 22.087 ( -0.413 -0.555 -0.152) 0.708 22.204 ( -0.742 -0.418 1.425) 1.660 22.362 ( -5.419 0.914 -0.752) 5.546 22.466 ( -5.287 2.654 0.701) 5.957 22.947 ( -1.569 -2.821 -1.465) 3.545 23.125 ( -4.700 0.187 -0.196) 4.707 23.289 ( 5.788 -0.567 0.590) 5.845 23.377 ( 3.833 1.200 0.860) 4.107 23.657 ( -1.029 -0.344 -2.478) 2.705 23.915 ( -0.152 0.138 -1.541) 1.555 24.013 ( -1.536 -0.257 0.191) 1.569 24.036 ( -0.777 0.590 0.436) 1.068 24.123 ( -0.663 -0.492 1.669) 1.862 24.163 ( -0.697 0.226 0.969) 1.214 24.860 ( 2.553 0.664 -0.110) 2.640 24.863 ( -2.505 -0.452 0.219) 2.555 45.943 ( -19.899 -1.293 0.939) 19.963 46.179 ( -6.773 1.780 -0.745) 7.043 46.528 ( -35.469 -0.211 4.037) 35.699 46.789 ( -17.523 10.568 13.700) 24.626 47.635 ( -30.377 -8.622 -14.399) 34.705 48.967 ( -5.718 0.170 1.720) 5.974 53.943 ( 14.305 -0.750 -1.034) 14.362 54.333 ( 9.952 5.416 7.466) 13.569 54.579 ( 9.809 -4.191 -5.195) 11.865 54.680 ( -0.711 -0.816 -1.506) 1.855 54.856 ( 3.090 0.015 -1.101) 3.281 55.011 ( -4.361 0.381 -0.668) 4.428 ======================= Grid point 25 (19/85) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -22.293 0.000 0.000) 22.293 1.927 ( -29.902 0.000 0.000) 29.902 3.078 ( -47.415 0.000 0.000) 47.415 4.144 ( 16.019 -0.000 -0.000) 16.019 4.172 ( 9.214 -0.000 -0.000) 9.214 4.400 ( 20.401 -0.000 -0.000) 20.401 4.790 ( 5.138 -0.000 -0.000) 5.138 5.526 ( -9.020 0.000 0.000) 9.020 5.619 ( -9.093 0.000 0.000) 9.093 5.845 ( 6.785 -0.000 -0.000) 6.785 6.114 ( -2.827 0.000 0.000) 2.827 6.300 ( 3.033 -0.000 -0.000) 3.033 6.526 ( -8.076 0.000 0.000) 8.076 6.666 ( 1.124 -0.000 -0.000) 1.124 6.917 ( -3.141 0.000 0.000) 3.141 7.416 ( -14.767 0.000 0.000) 14.767 8.632 ( 3.443 -0.000 -0.000) 3.443 8.836 ( -6.242 0.000 0.000) 6.242 9.396 ( -3.889 0.000 0.000) 3.889 9.490 ( 1.989 -0.000 -0.000) 1.989 10.989 ( 15.058 -0.000 -0.000) 15.058 11.153 ( 24.325 -0.000 -0.000) 24.325 11.592 ( 3.877 -0.000 -0.000) 3.877 11.702 ( 6.038 -0.000 -0.000) 6.038 11.898 ( -3.996 0.000 0.000) 3.996 12.143 ( -6.948 0.000 0.000) 6.948 12.465 ( -1.688 0.000 0.000) 1.688 12.866 ( 24.386 -0.000 -0.000) 24.386 13.718 ( -0.506 0.000 0.000) 0.506 14.340 ( 1.452 -0.000 -0.000) 1.452 15.426 ( 5.789 -0.000 -0.000) 5.789 15.468 ( 3.249 -0.000 -0.000) 3.249 15.789 ( -2.448 0.000 0.000) 2.448 15.998 ( -7.940 0.000 0.000) 7.940 16.431 ( 0.740 -0.000 -0.000) 0.740 16.529 ( 0.268 -0.000 -0.000) 0.268 21.126 ( -6.904 0.000 0.000) 6.904 21.386 ( 4.169 -0.000 -0.000) 4.169 22.067 ( -1.795 0.000 0.000) 1.795 22.216 ( 1.533 -0.000 -0.000) 1.533 22.275 ( -6.651 0.000 0.000) 6.651 22.418 ( -3.525 0.000 0.000) 3.525 22.904 ( -1.921 0.000 0.000) 1.921 23.047 ( -5.908 0.000 0.000) 5.908 23.373 ( 5.704 -0.000 -0.000) 5.704 23.439 ( 3.603 -0.000 -0.000) 3.603 23.628 ( -0.963 0.000 0.000) 0.963 23.903 ( -0.343 0.000 0.000) 0.343 23.982 ( -2.299 0.000 0.000) 2.299 24.025 ( -1.479 0.000 0.000) 1.479 24.123 ( -0.658 0.000 0.000) 0.658 24.162 ( -0.417 0.000 0.000) 0.417 24.823 ( -2.872 0.000 0.000) 2.872 24.902 ( 2.853 -0.000 -0.000) 2.853 45.616 ( -25.799 0.000 0.000) 25.799 46.036 ( -36.295 0.000 0.000) 36.295 46.062 ( -9.680 0.000 0.000) 9.680 46.750 ( -9.429 0.000 0.000) 9.429 47.091 ( -26.467 0.000 0.000) 26.467 48.870 ( -6.829 0.000 0.000) 6.829 54.135 ( 13.237 -0.000 -0.000) 13.237 54.559 ( 8.235 -0.000 -0.000) 8.235 54.589 ( 0.905 -0.000 -0.000) 0.905 54.677 ( 3.817 -0.000 -0.000) 3.817 54.899 ( 3.937 -0.000 -0.000) 3.937 54.944 ( -4.454 0.000 0.000) 4.454 ======================= Grid point 30 (20/85) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -0.000 5.414 5.222) 7.522 2.655 ( -0.000 22.494 14.496) 26.760 3.439 ( 0.000 -5.569 -34.271) 34.721 3.731 ( 0.000 -13.275 -5.259) 14.279 4.112 ( -0.000 17.500 21.181) 27.476 4.783 ( 0.000 -10.712 -1.713) 10.848 4.860 ( -0.000 -8.546 7.969) 11.685 5.417 ( -0.000 -5.303 10.953) 12.169 5.729 ( -0.000 1.821 11.064) 11.213 6.012 ( 0.000 1.875 -0.147) 1.880 6.038 ( 0.000 -0.767 -3.456) 3.540 6.455 ( -0.000 4.488 5.550) 7.138 6.467 ( -0.000 -0.860 7.338) 7.388 6.728 ( 0.000 8.119 -5.232) 9.658 6.947 ( 0.000 -2.083 -0.890) 2.265 7.840 ( -0.000 5.162 10.692) 11.873 8.323 ( 0.000 11.535 -6.022) 13.012 9.031 ( -0.000 6.258 6.702) 9.169 9.246 ( -0.000 -1.146 2.458) 2.712 9.650 ( 0.000 -0.422 -1.292) 1.359 10.469 ( 0.000 -14.753 -16.860) 22.403 10.622 ( 0.000 -16.153 -18.261) 24.380 11.231 ( 0.000 -1.273 -5.005) 5.164 11.754 ( 0.000 0.251 -2.317) 2.330 11.806 ( 0.000 -2.135 0.054) 2.136 12.213 ( 0.000 -1.731 -7.411) 7.611 12.236 ( -0.000 7.044 0.001) 7.044 12.561 ( -0.000 6.109 1.922) 6.404 13.795 ( 0.000 -2.279 -3.930) 4.543 14.031 ( -0.000 -3.588 9.351) 10.016 15.254 ( 0.000 2.429 -7.775) 8.146 15.400 ( 0.000 5.405 -8.560) 10.124 15.873 ( -0.000 -4.960 5.699) 7.555 16.180 ( -0.000 -0.070 11.111) 11.111 16.562 ( 0.000 -0.947 -0.388) 1.023 16.632 ( 0.000 -4.572 -8.482) 9.636 21.146 ( -0.000 0.057 2.157) 2.157 21.505 ( -0.000 -2.702 0.817) 2.823 22.062 ( -0.000 -0.477 0.325) 0.578 22.304 ( -0.000 -0.103 1.875) 1.878 22.378 ( -0.000 8.291 3.103) 8.853 22.581 ( -0.000 1.699 4.034) 4.377 22.932 ( -0.000 1.173 1.363) 1.798 23.093 ( -0.000 2.710 2.598) 3.754 23.202 ( 0.000 -5.591 -3.702) 6.705 23.381 ( 0.000 -0.976 -2.421) 2.610 23.808 ( 0.000 -1.241 -5.548) 5.685 23.902 ( -0.000 2.410 5.080) 5.623 23.974 ( 0.000 0.701 -4.174) 4.233 24.070 ( -0.000 0.092 1.105) 1.109 24.104 ( -0.000 -0.643 2.761) 2.835 24.135 ( -0.000 0.437 3.189) 3.218 24.746 ( 0.000 2.166 -0.419) 2.206 24.960 ( -0.000 -1.037 0.248) 1.066 46.075 ( -0.000 7.365 11.135) 13.350 46.120 ( -0.000 4.312 13.038) 13.732 47.372 ( -0.000 10.497 15.651) 18.845 47.721 ( -0.000 0.477 13.592) 13.601 48.114 ( -0.000 19.351 35.751) 40.652 48.774 ( -0.000 2.332 6.640) 7.038 53.905 ( 0.000 -6.704 -18.962) 20.113 53.945 ( 0.000 -0.218 -6.192) 6.195 54.219 ( 0.000 -6.404 -5.027) 8.141 54.597 ( 0.000 1.142 -3.961) 4.122 54.853 ( 0.000 2.170 -0.272) 2.187 55.092 ( -0.000 4.265 0.874) 4.353 ======================= Grid point 31 (21/85) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 9.341 -0.510 -7.946) 12.274 3.010 ( -0.082 10.958 -4.386) 11.804 3.066 ( 2.643 7.247 -4.817) 9.094 3.532 ( -8.921 -6.369 -0.798) 10.991 4.291 ( 3.516 -7.926 -5.002) 10.011 4.726 ( -6.646 1.262 9.533) 11.689 4.891 ( -4.899 -3.051 8.891) 10.600 5.499 ( -0.760 -3.513 11.418) 11.970 5.860 ( -0.124 3.232 5.730) 6.580 5.994 ( -1.360 -0.111 -0.946) 1.661 6.022 ( 1.968 -0.425 -2.212) 2.991 6.462 ( -8.887 0.912 5.954) 10.736 6.555 ( -0.595 1.121 5.791) 5.929 6.700 ( -2.357 4.633 -2.723) 5.869 6.956 ( 6.177 -1.048 -5.200) 8.142 7.954 ( 2.688 -1.597 7.796) 8.400 8.313 ( -12.602 15.032 -0.696) 19.628 9.093 ( -11.312 0.669 4.808) 12.309 9.371 ( 17.746 7.904 4.470) 19.934 9.796 ( 16.858 1.215 -2.744) 17.123 10.166 ( -1.636 -13.196 -11.193) 17.381 10.266 ( -2.169 -16.680 -17.484) 24.261 11.200 ( 4.391 -1.311 -3.823) 5.968 11.710 ( -2.127 -0.584 -1.032) 2.435 11.844 ( 7.206 -1.017 -0.414) 7.289 12.124 ( -1.583 -0.722 -4.173) 4.521 12.284 ( 1.031 3.459 -0.789) 3.695 12.618 ( -3.040 6.554 2.253) 7.568 13.742 ( 0.408 -1.736 -2.794) 3.315 14.106 ( 1.318 -3.456 7.526) 8.386 15.210 ( 2.066 1.909 -5.667) 6.327 15.365 ( 1.142 4.084 -5.896) 7.262 15.884 ( -0.742 -3.866 3.669) 5.381 16.272 ( -2.864 0.140 8.369) 8.847 16.517 ( -0.487 -2.475 -6.103) 6.604 16.547 ( 0.459 -0.787 -1.501) 1.756 21.176 ( 1.466 -0.011 1.364) 2.003 21.473 ( -2.763 -2.186 0.465) 3.554 22.064 ( 0.551 -0.592 0.092) 0.814 22.305 ( -2.816 0.483 1.864) 3.412 22.467 ( -0.909 6.525 2.110) 6.917 22.621 ( -2.476 2.068 3.270) 4.593 22.969 ( 2.586 0.140 0.468) 2.632 23.105 ( -1.005 -3.324 -1.019) 3.619 23.166 ( 3.181 -0.004 0.352) 3.200 23.343 ( -1.401 -0.461 -1.507) 2.108 23.737 ( -0.397 -1.051 -4.681) 4.814 23.936 ( 0.177 0.372 -3.356) 3.382 23.976 ( 0.277 2.205 4.070) 4.638 24.075 ( -0.603 0.032 0.436) 0.745 24.124 ( 0.142 -1.041 1.760) 2.050 24.167 ( -0.328 0.233 2.339) 2.374 24.765 ( 0.989 1.650 -0.189) 1.933 24.949 ( -0.908 -0.714 0.199) 1.172 46.206 ( -2.468 4.665 7.982) 9.569 46.280 ( 0.402 3.149 6.808) 7.512 47.485 ( -16.972 8.120 14.561) 23.791 47.704 ( -19.878 2.025 10.984) 22.801 48.619 ( 1.447 8.631 11.030) 14.080 48.884 ( -3.288 5.670 17.516) 18.702 53.644 ( 3.005 -6.986 -16.771) 18.415 53.912 ( 3.628 0.754 -2.575) 4.513 54.192 ( 8.702 -4.655 -4.201) 10.726 54.593 ( 3.059 1.085 -2.984) 4.408 54.859 ( -1.024 1.544 0.022) 1.853 55.124 ( -1.139 3.075 0.556) 3.326 ======================= Grid point 32 (22/85) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 0.525 -2.078 -15.898) 16.042 2.795 ( -4.955 -5.076 -6.238) 9.447 3.427 ( 2.895 7.643 3.431) 8.864 3.487 ( 6.241 15.011 11.783) 20.077 4.120 ( 5.858 -18.444 -12.407) 22.987 4.633 ( -21.715 2.621 3.685) 22.181 4.895 ( -6.952 -0.878 6.560) 9.599 5.597 ( 1.294 -2.491 8.985) 9.414 5.860 ( -6.333 1.166 0.776) 6.486 5.975 ( -1.246 0.852 -2.492) 2.914 6.035 ( 2.874 0.320 -0.127) 2.894 6.365 ( -10.838 0.561 1.858) 11.010 6.611 ( -0.350 1.236 4.017) 4.217 6.714 ( 0.544 1.514 1.522) 2.215 6.949 ( 3.578 -1.347 -5.733) 6.891 8.101 ( 2.456 -2.697 9.935) 10.583 8.186 ( -12.073 10.086 -4.641) 16.402 9.059 ( -8.063 6.310 9.308) 13.837 9.607 ( 3.450 -3.951 -8.039) 9.599 9.835 ( -2.320 -5.192 -10.168) 11.650 10.037 ( 15.192 -3.095 -2.289) 15.672 10.185 ( 20.835 -4.027 -0.155) 21.222 11.245 ( 7.911 -0.816 -1.848) 8.165 11.676 ( -1.601 -0.152 0.214) 1.622 11.974 ( 11.679 -0.863 -0.446) 11.719 12.071 ( 0.068 0.591 -1.219) 1.357 12.299 ( -0.063 0.947 -0.832) 1.262 12.624 ( -5.413 4.206 1.450) 7.006 13.717 ( 0.768 -0.845 -1.348) 1.767 14.184 ( 3.044 -1.972 4.605) 5.862 15.214 ( 3.839 1.015 -2.941) 4.941 15.361 ( 1.939 2.120 -2.989) 4.146 15.877 ( -1.282 -2.095 1.821) 3.057 16.287 ( -5.555 0.114 4.416) 7.097 16.445 ( -0.421 -0.996 -3.027) 3.214 16.530 ( 0.489 -0.437 -1.727) 1.847 21.218 ( 2.864 0.132 0.617) 2.932 21.408 ( -5.078 -1.239 0.202) 5.231 22.070 ( 0.852 -0.433 -0.025) 0.956 22.280 ( -3.638 0.262 1.312) 3.876 22.487 ( -3.630 2.837 0.358) 4.621 22.619 ( -4.721 2.367 1.990) 5.644 22.970 ( 0.209 -2.595 -1.891) 3.217 23.111 ( 4.035 -0.396 1.697) 4.395 23.210 ( 1.995 -0.189 -0.860) 2.180 23.313 ( -0.743 0.321 0.151) 0.824 23.681 ( -0.634 -0.551 -2.722) 2.849 23.911 ( 0.321 0.142 -1.811) 1.845 24.030 ( -0.008 1.301 2.400) 2.730 24.064 ( -1.154 0.006 -0.219) 1.175 24.133 ( 0.096 -0.811 0.881) 1.201 24.182 ( -0.599 0.083 1.200) 1.344 24.793 ( 1.795 0.849 -0.086) 1.988 24.928 ( -1.729 -0.385 0.133) 1.776 46.251 ( -4.878 1.580 3.692) 6.318 46.324 ( -3.427 1.941 1.739) 4.305 47.382 ( -24.139 3.595 8.294) 25.776 47.508 ( -27.870 4.324 10.254) 30.010 48.438 ( -23.416 -3.333 -6.324) 24.483 49.115 ( -4.828 5.917 12.005) 14.228 53.559 ( 11.801 -3.744 -7.895) 14.684 54.036 ( 10.710 3.605 3.602) 11.860 54.249 ( 11.626 -4.561 -5.253) 13.549 54.619 ( 3.650 0.531 -1.981) 4.186 54.851 ( -1.515 0.518 0.263) 1.622 55.117 ( -2.935 1.392 0.026) 3.248 ======================= Grid point 33 (23/85) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -11.116 0.000 0.000) 11.116 2.596 ( -16.136 0.000 0.000) 16.136 3.604 ( 17.132 -0.000 -0.000) 17.132 3.831 ( 5.121 -0.000 -0.000) 5.121 3.990 ( 9.861 -0.000 -0.000) 9.861 4.296 ( -28.704 0.000 0.000) 28.704 4.815 ( -7.174 0.000 0.000) 7.174 5.683 ( 4.088 -0.000 -0.000) 4.088 5.769 ( -7.854 0.000 0.000) 7.854 5.888 ( -8.012 0.000 0.000) 8.012 6.086 ( 3.226 -0.000 -0.000) 3.226 6.269 ( -3.697 0.000 0.000) 3.697 6.642 ( 0.235 -0.000 -0.000) 0.235 6.722 ( -2.831 0.000 0.000) 2.831 6.939 ( 1.456 -0.000 -0.000) 1.456 7.907 ( -21.220 0.000 0.000) 21.220 8.325 ( 14.369 -0.000 -0.000) 14.369 9.069 ( -8.334 0.000 0.000) 8.334 9.489 ( -2.079 0.000 0.000) 2.079 9.618 ( -8.834 0.000 0.000) 8.834 10.395 ( 28.033 -0.000 -0.000) 28.033 10.471 ( 21.606 -0.000 -0.000) 21.606 11.358 ( 9.902 -0.000 -0.000) 9.902 11.662 ( -0.846 0.000 0.000) 0.846 11.999 ( -2.437 0.000 0.000) 2.437 12.239 ( 19.168 -0.000 -0.000) 19.168 12.282 ( -2.233 0.000 0.000) 2.233 12.569 ( -5.774 0.000 0.000) 5.774 13.717 ( 0.603 -0.000 -0.000) 0.603 14.254 ( 3.949 -0.000 -0.000) 3.949 15.265 ( 5.244 -0.000 -0.000) 5.244 15.384 ( 2.570 -0.000 -0.000) 2.570 15.857 ( -1.968 0.000 0.000) 1.968 16.222 ( -7.447 0.000 0.000) 7.447 16.421 ( -0.050 0.000 0.000) 0.050 16.521 ( 0.297 -0.000 -0.000) 0.297 21.269 ( 3.873 -0.000 -0.000) 3.873 21.322 ( -6.643 0.000 0.000) 6.643 22.080 ( 0.743 -0.000 -0.000) 0.743 22.241 ( -3.084 0.000 0.000) 3.084 22.436 ( -5.050 0.000 0.000) 5.050 22.565 ( -6.073 0.000 0.000) 6.073 22.941 ( -0.728 0.000 0.000) 0.728 23.184 ( -3.184 0.000 0.000) 3.184 23.202 ( 6.282 -0.000 -0.000) 6.282 23.338 ( 2.962 -0.000 -0.000) 2.962 23.653 ( -0.790 0.000 0.000) 0.790 23.906 ( 0.195 -0.000 -0.000) 0.195 24.037 ( -1.718 0.000 0.000) 1.718 24.050 ( -0.376 0.000 0.000) 0.376 24.135 ( -0.103 0.000 0.000) 0.103 24.179 ( -0.747 0.000 0.000) 0.747 24.826 ( 2.440 -0.000 -0.000) 2.440 24.899 ( -2.387 0.000 0.000) 2.387 46.164 ( -11.564 0.000 0.000) 11.564 46.275 ( -5.788 0.000 0.000) 5.788 47.043 ( -32.718 0.000 0.000) 32.718 47.232 ( -25.508 0.000 0.000) 25.508 47.957 ( -32.982 0.000 0.000) 32.982 49.091 ( -8.627 0.000 0.000) 8.627 53.709 ( 16.264 -0.000 -0.000) 16.264 54.305 ( 9.512 -0.000 -0.000) 9.512 54.307 ( 15.079 -0.000 -0.000) 15.079 54.654 ( 2.509 -0.000 -0.000) 2.509 54.837 ( -0.556 0.000 0.000) 0.556 55.071 ( -4.233 0.000 0.000) 4.233 ======================= Grid point 40 (24/85) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 0.000 -1.997 -10.177) 10.371 2.847 ( 0.000 -3.308 -9.696) 10.245 3.334 ( -0.000 23.876 12.912) 27.144 3.539 ( 0.000 -3.194 -0.535) 3.238 4.022 ( 0.000 -21.158 -11.888) 24.269 4.944 ( -0.000 5.546 6.490) 8.537 5.014 ( -0.000 0.836 8.075) 8.118 5.585 ( -0.000 -1.438 6.374) 6.534 5.946 ( -0.000 2.820 3.682) 4.638 5.981 ( 0.000 -0.232 -2.037) 2.050 5.997 ( -0.000 -1.052 0.370) 1.115 6.615 ( -0.000 1.958 4.725) 5.115 6.620 ( -0.000 -3.799 8.383) 9.204 6.715 ( 0.000 5.729 -6.274) 8.496 6.817 ( 0.000 -2.199 -5.833) 6.234 7.935 ( -0.000 -3.043 1.347) 3.328 8.574 ( -0.000 11.440 3.411) 11.937 9.199 ( -0.000 1.866 1.166) 2.201 9.421 ( -0.000 8.395 9.301) 12.529 9.661 ( -0.000 5.330 0.875) 5.402 9.947 ( 0.000 -16.926 -16.650) 23.742 9.963 ( 0.000 -10.923 -8.223) 13.672 11.125 ( 0.000 -0.808 -2.198) 2.342 11.707 ( 0.000 -0.414 -1.138) 1.211 11.777 ( 0.000 -0.835 -0.237) 0.868 12.093 ( 0.000 -0.544 -1.922) 1.998 12.293 ( 0.000 1.765 -0.442) 1.820 12.708 ( -0.000 4.360 1.528) 4.621 13.703 ( 0.000 -1.007 -1.495) 1.803 14.137 ( -0.000 -2.306 3.954) 4.577 15.159 ( 0.000 1.107 -2.977) 3.176 15.334 ( 0.000 2.247 -2.809) 3.597 15.893 ( -0.000 -2.161 1.517) 2.640 16.368 ( -0.000 0.176 4.586) 4.590 16.453 ( 0.000 -1.108 -3.086) 3.279 16.523 ( 0.000 -0.508 -1.174) 1.279 21.176 ( -0.000 -0.130 0.689) 0.701 21.482 ( -0.000 -1.215 0.186) 1.229 22.057 ( -0.000 -0.326 0.029) 0.327 22.345 ( -0.000 0.395 0.977) 1.054 22.543 ( -0.000 4.067 1.507) 4.338 22.690 ( -0.000 1.914 2.672) 3.287 22.947 ( 0.000 -0.814 -0.946) 1.248 23.063 ( 0.000 -2.953 -0.988) 3.114 23.159 ( -0.000 0.534 0.820) 0.978 23.339 ( 0.000 -0.015 -0.531) 0.531 23.690 ( 0.000 -0.668 -2.775) 2.855 23.905 ( 0.000 0.154 -1.974) 1.980 24.029 ( -0.000 1.777 2.533) 3.094 24.084 ( -0.000 0.009 0.245) 0.246 24.126 ( -0.000 -1.161 0.593) 1.303 24.191 ( -0.000 0.116 1.219) 1.225 24.768 ( -0.000 0.917 -0.046) 0.919 24.953 ( -0.000 -0.341 0.093) 0.354 46.315 ( -0.000 2.292 3.525) 4.205 46.366 ( -0.000 1.692 4.368) 4.684 47.759 ( -0.000 2.836 6.085) 6.713 47.942 ( -0.000 1.391 5.476) 5.650 48.759 ( -0.000 3.468 3.090) 4.645 49.210 ( -0.000 7.906 19.139) 20.708 53.381 ( 0.000 -5.513 -13.002) 14.123 53.848 ( 0.000 -0.012 -2.303) 2.303 54.073 ( 0.000 -2.379 -1.586) 2.859 54.560 ( 0.000 0.861 -1.030) 1.342 54.876 ( -0.000 0.989 -0.046) 0.990 55.160 ( -0.000 1.799 0.413) 1.845 ======================= Grid point 41 (25/85) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 4.581 -0.000 -0.000) 4.581 2.772 ( -1.148 0.000 0.000) 1.148 3.489 ( -4.067 0.000 0.000) 4.067 3.645 ( 4.479 -0.000 -0.000) 4.479 3.791 ( 4.563 -0.000 -0.000) 4.563 4.908 ( -12.015 0.000 0.000) 12.015 5.039 ( -5.748 0.000 0.000) 5.748 5.622 ( 0.772 -0.000 -0.000) 0.772 5.943 ( -3.786 0.000 0.000) 3.786 5.976 ( -0.698 0.000 0.000) 0.698 6.004 ( 1.862 -0.000 -0.000) 1.862 6.552 ( -12.895 0.000 0.000) 12.895 6.649 ( -0.737 0.000 0.000) 0.737 6.697 ( 2.689 -0.000 -0.000) 2.689 6.843 ( 5.933 -0.000 -0.000) 5.933 7.986 ( 7.925 -0.000 -0.000) 7.925 8.505 ( -17.704 0.000 0.000) 17.704 9.208 ( -1.053 0.000 0.000) 1.053 9.577 ( -3.606 0.000 0.000) 3.606 9.734 ( 6.899 -0.000 -0.000) 6.899 9.847 ( 1.934 -0.000 -0.000) 1.934 9.872 ( 18.516 -0.000 -0.000) 18.516 11.142 ( 4.609 -0.000 -0.000) 4.609 11.693 ( -0.877 0.000 0.000) 0.877 11.825 ( 7.553 -0.000 -0.000) 7.553 12.074 ( -0.843 0.000 0.000) 0.843 12.299 ( 0.149 -0.000 -0.000) 0.149 12.712 ( -3.243 0.000 0.000) 3.243 13.695 ( 0.627 -0.000 -0.000) 0.627 14.164 ( 1.976 -0.000 -0.000) 1.976 15.161 ( 2.023 -0.000 -0.000) 2.023 15.334 ( 0.947 -0.000 -0.000) 0.947 15.889 ( -0.476 0.000 0.000) 0.476 16.374 ( -3.040 0.000 0.000) 3.040 16.429 ( -0.329 0.000 0.000) 0.329 16.515 ( 0.131 -0.000 -0.000) 0.131 21.191 ( 1.557 -0.000 -0.000) 1.557 21.459 ( -2.756 0.000 0.000) 2.756 22.059 ( 0.449 -0.000 -0.000) 0.449 22.333 ( -2.545 0.000 0.000) 2.545 22.549 ( -2.598 0.000 0.000) 2.598 22.697 ( -2.768 0.000 0.000) 2.768 22.939 ( 0.760 -0.000 -0.000) 0.760 23.066 ( 2.641 -0.000 -0.000) 2.641 23.179 ( 1.791 -0.000 -0.000) 1.791 23.329 ( -1.041 0.000 0.000) 1.041 23.669 ( -0.303 0.000 0.000) 0.303 23.896 ( 0.306 -0.000 -0.000) 0.306 24.053 ( 0.026 -0.000 -0.000) 0.026 24.077 ( -1.066 0.000 0.000) 1.066 24.128 ( 0.512 -0.000 -0.000) 0.512 24.196 ( -0.347 0.000 0.000) 0.347 24.778 ( 0.915 -0.000 -0.000) 0.915 24.946 ( -0.901 0.000 0.000) 0.901 46.329 ( -2.219 0.000 0.000) 2.219 46.384 ( -2.026 0.000 0.000) 2.026 47.705 ( -13.618 0.000 0.000) 13.618 47.878 ( -14.665 0.000 0.000) 14.665 48.682 ( -14.999 0.000 0.000) 14.999 49.313 ( -6.188 0.000 0.000) 6.188 53.338 ( 8.247 -0.000 -0.000) 8.247 53.908 ( 10.166 -0.000 -0.000) 10.166 54.089 ( 4.816 -0.000 -0.000) 4.816 54.573 ( 2.009 -0.000 -0.000) 2.009 54.873 ( -1.011 0.000 0.000) 1.011 55.157 ( -1.708 0.000 0.000) 1.708 ======================= Grid point 91 (26/85) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -0.000 0.000 31.917) 31.917 1.119 ( -0.000 0.000 31.917) 31.917 2.039 ( -0.000 0.000 53.958) 53.958 4.553 ( 0.000 -0.000 -5.788) 5.788 4.553 ( 0.000 -0.000 -5.788) 5.788 4.816 ( 0.000 -0.000 -28.973) 28.973 5.361 ( -0.000 0.000 12.099) 12.099 5.394 ( -0.000 0.000 14.675) 14.675 5.394 ( -0.000 0.000 14.675) 14.675 5.729 ( -0.000 0.000 2.759) 2.759 5.729 ( -0.000 0.000 2.759) 2.759 6.429 ( 0.000 -0.000 -7.607) 7.607 6.429 ( 0.000 -0.000 -7.607) 7.607 6.838 ( -0.000 0.000 1.321) 1.321 6.838 ( 0.000 0.000 1.321) 1.321 6.893 ( -0.000 0.000 9.367) 9.367 8.419 ( 0.000 -0.000 -3.853) 3.853 8.592 ( -0.000 0.000 3.288) 3.288 9.580 ( 0.000 -0.000 -1.845) 1.845 9.580 ( 0.000 -0.000 -1.845) 1.845 11.474 ( 0.000 -0.000 -9.830) 9.830 11.474 ( 0.000 -0.000 -9.830) 9.830 11.489 ( 0.000 -0.000 -4.553) 4.553 11.858 ( 0.000 -0.000 -4.902) 4.902 11.858 ( 0.000 -0.000 -4.902) 4.902 11.972 ( -0.000 0.000 0.512) 0.512 12.401 ( 0.000 -0.000 -2.245) 2.245 12.401 ( 0.000 -0.000 -2.245) 2.245 13.787 ( -0.000 0.000 6.975) 6.975 14.016 ( 0.000 -0.000 -3.135) 3.135 15.494 ( 0.000 -0.000 -7.032) 7.032 15.494 ( 0.000 -0.000 -7.032) 7.032 15.828 ( -0.000 0.000 6.536) 6.536 15.828 ( -0.000 0.000 6.536) 6.536 16.531 ( -0.000 0.000 2.990) 2.990 17.340 ( 0.000 -0.000 -13.950) 13.950 21.006 ( -0.000 0.000 4.730) 4.730 21.548 ( -0.000 0.000 1.793) 1.793 22.024 ( -0.000 0.000 1.808) 1.808 22.024 ( -0.000 0.000 1.808) 1.808 22.365 ( -0.000 0.000 1.823) 1.823 22.365 ( -0.000 0.000 1.823) 1.823 22.838 ( -0.000 0.000 2.081) 2.081 22.838 ( -0.000 0.000 2.081) 2.081 23.499 ( 0.000 -0.000 -2.946) 2.946 23.499 ( 0.000 -0.000 -2.946) 2.946 23.664 ( -0.000 0.000 3.965) 3.965 23.970 ( -0.000 0.000 4.253) 4.253 23.970 ( -0.000 0.000 4.253) 4.253 23.997 ( -0.000 0.000 2.196) 2.196 24.038 ( 0.000 -0.000 -3.170) 3.170 24.038 ( 0.000 -0.000 -3.170) 3.170 24.706 ( 0.000 -0.000 -1.208) 1.208 24.999 ( -0.000 0.000 0.061) 0.061 45.263 ( -0.000 0.000 21.818) 21.818 45.263 ( -0.000 0.000 21.818) 21.818 46.633 ( -0.000 0.000 10.814) 10.814 46.909 ( -0.000 0.000 19.527) 19.527 46.909 ( -0.000 0.000 19.527) 19.527 48.229 ( -0.000 0.000 5.883) 5.883 54.345 ( 0.000 -0.000 -6.776) 6.776 54.345 ( 0.000 -0.000 -6.776) 6.776 54.727 ( 0.000 -0.000 -4.828) 4.828 54.727 ( 0.000 -0.000 -4.828) 4.828 54.763 ( 0.000 -0.000 -3.443) 3.443 54.955 ( 0.000 -0.000 -4.023) 4.023 ======================= Grid point 92 (27/85) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 12.282 7.091 26.338) 29.914 1.615 ( 11.143 6.433 27.905) 30.728 2.689 ( 7.321 4.227 44.460) 45.257 4.295 ( -12.021 -6.940 -3.290) 14.265 4.395 ( -5.907 -3.410 -32.347) 33.058 4.662 ( 6.595 3.807 -5.345) 9.304 5.399 ( -8.760 -5.057 13.581) 16.934 5.470 ( -4.013 -2.317 13.006) 13.807 5.557 ( -1.543 -0.891 12.028) 12.159 5.752 ( 1.387 0.801 1.194) 1.998 5.939 ( 10.515 6.071 3.631) 12.673 6.309 ( -1.779 -1.027 -4.356) 4.816 6.357 ( -2.818 -1.627 -6.566) 7.328 6.659 ( -6.543 -3.777 -1.523) 7.707 7.018 ( 1.077 0.622 10.356) 10.430 7.048 ( 7.985 4.610 3.544) 9.879 8.364 ( -1.260 -0.728 -4.792) 5.008 8.746 ( 13.068 7.545 3.897) 15.585 9.376 ( -11.402 -6.583 -4.725) 13.988 9.715 ( 10.049 5.802 0.211) 11.606 11.254 ( -6.088 -3.515 -16.635) 18.060 11.310 ( -5.502 -3.177 -11.672) 13.289 11.442 ( 2.001 1.155 -6.536) 6.932 11.767 ( -2.353 -1.358 -3.070) 4.100 11.875 ( 3.661 2.113 -1.033) 4.351 11.973 ( 0.350 0.202 -0.747) 0.850 12.327 ( -2.170 -1.253 -3.804) 4.555 12.491 ( 8.482 4.897 -6.975) 12.024 13.880 ( -0.252 -0.145 9.707) 9.711 13.965 ( -1.192 -0.688 -3.520) 3.779 15.405 ( 1.566 0.904 -8.827) 9.011 15.433 ( 2.450 1.415 -9.445) 9.860 15.883 ( -2.275 -1.313 7.599) 8.040 15.917 ( -1.103 -0.637 9.862) 9.943 16.561 ( -0.006 -0.003 2.367) 2.367 17.096 ( -6.880 -3.972 -12.912) 15.160 21.067 ( 0.456 0.263 5.049) 5.076 21.552 ( -1.916 -1.106 1.705) 2.793 22.057 ( 0.671 0.387 2.330) 2.455 22.068 ( 2.279 1.316 1.895) 3.243 22.348 ( -1.978 -1.142 1.139) 2.552 22.411 ( 0.231 0.133 3.010) 3.022 22.874 ( 2.023 1.168 2.236) 3.234 22.898 ( 2.442 1.410 3.106) 4.195 23.439 ( -1.664 -0.961 -3.622) 4.100 23.463 ( -0.779 -0.450 -3.377) 3.495 23.722 ( 0.833 0.481 4.921) 5.014 23.975 ( -0.893 -0.516 -4.069) 4.197 24.018 ( 1.191 0.688 -2.838) 3.154 24.020 ( -0.082 -0.047 3.468) 3.470 24.026 ( 0.261 0.151 2.773) 2.789 24.030 ( 0.448 0.259 3.714) 3.750 24.702 ( 1.073 0.620 -1.037) 1.616 24.992 ( -0.844 -0.487 0.012) 0.975 45.444 ( -4.011 -2.316 25.068) 25.492 45.670 ( 8.327 4.808 24.495) 26.315 46.730 ( -5.769 -3.331 13.309) 14.883 46.963 ( -18.751 -10.826 26.875) 34.512 47.205 ( 8.448 4.878 25.542) 27.341 48.497 ( 16.489 9.520 3.317) 19.327 54.182 ( -3.741 -2.160 -9.212) 10.175 54.327 ( 1.515 0.875 -8.154) 8.340 54.598 ( -1.980 -1.143 -6.182) 6.591 54.712 ( 1.365 0.788 -5.012) 5.254 54.751 ( 2.748 1.587 -3.812) 4.960 54.941 ( 3.471 2.004 -3.702) 5.456 ======================= Grid point 93 (28/85) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 11.332 6.543 22.192) 25.763 2.117 ( 20.440 11.801 19.687) 30.735 3.186 ( -1.067 -0.616 25.795) 25.825 3.862 ( -9.321 -5.381 -35.289) 36.894 4.111 ( -5.254 -3.033 4.559) 7.589 4.663 ( -2.573 -1.486 -2.941) 4.181 5.411 ( -5.445 -3.143 12.159) 13.688 5.499 ( -6.010 -3.470 10.122) 12.272 5.676 ( -1.117 -0.645 12.668) 12.733 5.739 ( -1.010 -0.583 -6.911) 7.009 6.116 ( 7.358 4.248 -2.639) 8.897 6.230 ( -4.818 -2.782 0.072) 5.564 6.273 ( -0.910 -0.525 3.562) 3.714 6.569 ( -1.379 -0.796 -2.425) 2.901 7.168 ( 2.010 1.161 10.991) 11.233 7.207 ( 4.184 2.416 4.513) 6.611 8.264 ( -2.405 -1.388 -5.807) 6.437 9.053 ( -8.044 -4.644 -1.932) 9.488 9.174 ( 17.791 10.272 2.594) 20.707 9.956 ( 14.798 8.544 1.164) 17.127 10.885 ( -10.877 -6.280 -19.753) 23.408 11.031 ( -8.022 -4.632 -15.271) 17.861 11.416 ( 2.514 1.451 -5.095) 5.864 11.703 ( -2.140 -1.235 -1.612) 2.950 11.963 ( 4.896 2.827 2.107) 6.034 11.985 ( 2.955 1.706 -1.506) 3.730 12.242 ( -1.488 -0.859 -4.767) 5.067 12.509 ( 2.577 1.488 -7.394) 7.970 13.899 ( -1.331 -0.769 -3.770) 4.071 13.991 ( -0.662 -0.382 11.314) 11.340 15.357 ( 3.938 2.274 -8.655) 9.777 15.378 ( 3.440 1.986 -9.634) 10.420 15.913 ( -3.564 -2.058 7.174) 8.271 16.002 ( -2.671 -1.542 10.840) 11.270 16.584 ( 0.414 0.239 0.967) 1.078 16.842 ( -5.596 -3.231 -11.148) 12.885 21.133 ( 1.016 0.587 4.232) 4.391 21.513 ( -4.069 -2.349 1.226) 4.855 22.098 ( 0.726 0.419 2.609) 2.740 22.132 ( 1.943 1.122 1.489) 2.693 22.325 ( -1.548 -0.894 0.890) 1.997 22.440 ( -1.087 -0.628 3.379) 3.605 22.956 ( 3.887 2.244 2.094) 4.953 22.992 ( 3.379 1.951 3.659) 5.349 23.361 ( -2.126 -1.227 -3.682) 4.425 23.398 ( -1.968 -1.136 -3.543) 4.209 23.803 ( 1.508 0.871 5.410) 5.683 23.899 ( -1.370 -0.791 -5.434) 5.660 23.997 ( 0.997 0.575 -3.905) 4.071 24.047 ( 0.095 0.055 1.342) 1.346 24.073 ( -0.032 -0.018 4.398) 4.399 24.082 ( 0.035 0.020 3.857) 3.857 24.723 ( 2.108 1.217 -0.593) 2.505 24.970 ( -1.561 -0.901 0.027) 1.802 45.681 ( -1.328 -0.767 25.078) 25.125 46.036 ( 3.413 1.970 18.840) 19.248 46.713 ( -13.151 -7.593 14.895) 21.271 46.911 ( -18.652 -10.769 24.826) 32.866 47.776 ( 17.714 10.227 29.368) 35.789 48.751 ( 6.695 3.865 -0.462) 7.744 54.022 ( -1.932 -1.116 -7.951) 8.258 54.176 ( -4.531 -2.616 -11.002) 12.182 54.574 ( 4.535 2.618 -3.767) 6.450 54.683 ( 1.560 0.901 -4.022) 4.408 54.773 ( 4.398 2.539 -4.232) 6.610 54.980 ( 4.237 2.446 -3.312) 5.908 ======================= Grid point 94 (29/85) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 4.779 2.759 9.637) 11.105 2.729 ( 24.624 14.217 14.579) 31.954 3.158 ( -17.481 -10.093 5.409) 20.898 3.329 ( -6.286 -3.629 -25.935) 26.932 4.241 ( 5.644 3.258 10.558) 12.407 4.477 ( -13.921 -8.037 -3.400) 16.430 5.452 ( -3.507 -2.025 4.532) 6.078 5.498 ( -6.496 -3.751 10.608) 12.992 5.582 ( -3.540 -2.044 -5.640) 6.965 5.793 ( 0.212 0.122 9.790) 9.793 6.148 ( 2.152 1.243 -4.702) 5.319 6.166 ( -3.850 -2.223 -0.928) 4.541 6.370 ( 3.228 1.864 7.404) 8.289 6.549 ( -0.267 -0.154 1.549) 1.579 7.293 ( 0.062 0.036 3.211) 3.212 7.315 ( 0.634 0.366 7.854) 7.888 8.201 ( 2.934 1.694 -2.502) 4.212 8.793 ( -12.285 -7.093 0.322) 14.189 9.705 ( 27.924 16.122 5.352) 32.686 10.224 ( 10.851 6.265 -8.538) 15.162 10.471 ( -7.781 -4.492 -10.306) 13.673 10.680 ( -9.459 -5.461 -17.364) 20.513 11.428 ( 3.531 2.039 -2.483) 4.774 11.648 ( -2.272 -1.312 -0.385) 2.651 12.035 ( 2.833 1.636 -2.870) 4.352 12.090 ( 5.109 2.949 3.471) 6.844 12.199 ( 4.277 2.469 -3.302) 5.941 12.437 ( -2.623 -1.515 -4.546) 5.463 13.835 ( -1.114 -0.643 -3.502) 3.731 14.108 ( -0.775 -0.448 11.618) 11.652 15.347 ( 4.138 2.389 -8.120) 9.422 15.353 ( 5.277 3.047 -7.337) 9.538 15.913 ( -4.338 -2.505 5.795) 7.660 16.056 ( -4.205 -2.427 9.743) 10.886 16.597 ( 1.066 0.615 -1.175) 1.701 16.645 ( -3.247 -1.874 -9.109) 9.850 21.201 ( 1.863 1.076 3.075) 3.753 21.432 ( -5.697 -3.289 0.604) 6.606 22.143 ( 0.765 0.441 2.892) 3.023 22.157 ( -0.649 -0.375 0.792) 1.091 22.319 ( -0.090 -0.052 0.585) 0.594 22.443 ( -2.448 -1.413 2.809) 3.985 23.048 ( 3.439 1.986 0.986) 4.092 23.096 ( 3.033 1.751 3.387) 4.872 23.288 ( -1.311 -0.757 -2.794) 3.178 23.319 ( -2.131 -1.230 -2.940) 3.834 23.808 ( -1.702 -0.982 -5.424) 5.769 23.894 ( 1.720 0.993 4.992) 5.373 23.969 ( 0.630 0.363 -3.609) 3.681 24.053 ( -0.346 -0.200 0.150) 0.427 24.114 ( -0.682 -0.394 2.899) 3.004 24.117 ( -0.168 -0.097 3.671) 3.676 24.764 ( 2.749 1.587 -0.157) 3.178 24.936 ( -2.117 -1.222 0.099) 2.447 45.946 ( 0.356 0.205 22.550) 22.554 46.201 ( -4.015 -2.318 11.207) 12.129 46.589 ( -18.512 -10.688 15.541) 26.429 46.815 ( -18.595 -10.736 18.097) 28.081 48.417 ( 15.993 9.233 24.213) 30.452 48.673 ( -9.952 -5.746 -9.072) 14.640 53.973 ( 3.210 1.854 -1.632) 4.050 53.989 ( -1.872 -1.081 -8.935) 9.193 54.634 ( 4.953 2.860 -2.141) 6.107 54.680 ( 2.168 1.252 -2.906) 3.835 54.812 ( 5.248 3.030 -4.924) 7.808 55.005 ( 2.488 1.437 -3.604) 4.609 ======================= Grid point 95 (30/85) ======================= q-point: (-0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -13.152 -7.593 -22.398) 27.061 2.791 ( -22.901 -13.222 -1.684) 26.498 3.289 ( 8.825 5.095 9.525) 13.949 3.345 ( 25.653 14.811 11.602) 31.812 4.077 ( -24.077 -13.901 -4.815) 28.215 4.415 ( 4.412 2.547 1.676) 5.363 5.284 ( -3.682 -2.126 -13.238) 13.904 5.501 ( -5.994 -3.461 9.873) 12.058 5.618 ( -2.006 -1.158 11.967) 12.189 5.916 ( 3.122 1.802 6.978) 7.854 6.037 ( -4.389 -2.534 -7.336) 8.916 6.127 ( -0.776 -0.448 -0.831) 1.222 6.517 ( 4.479 2.586 4.899) 7.123 6.576 ( -1.247 -0.720 4.399) 4.629 7.281 ( -4.850 -2.800 3.514) 6.611 7.311 ( -5.322 -3.072 -0.546) 6.169 8.371 ( 12.983 7.496 5.427) 15.944 8.649 ( -6.988 -4.034 5.814) 9.945 9.886 ( -13.782 -7.957 -19.402) 25.093 10.152 ( 6.134 3.541 -12.936) 14.748 10.427 ( 11.666 6.735 -0.533) 13.481 10.640 ( 14.762 8.523 1.779) 17.138 11.491 ( 4.744 2.739 -0.127) 5.480 11.624 ( -0.563 -0.325 1.033) 1.220 11.988 ( -1.467 -0.847 -4.777) 5.068 12.219 ( 4.368 2.522 3.635) 6.217 12.325 ( -5.661 -3.268 -1.324) 6.669 12.366 ( 13.872 8.009 0.371) 16.023 13.781 ( -0.914 -0.528 -2.624) 2.828 14.223 ( -0.568 -0.328 10.683) 10.703 15.350 ( 4.520 2.610 -5.266) 7.414 15.381 ( 5.495 3.173 -5.471) 8.378 15.885 ( -4.517 -2.608 3.825) 6.468 16.063 ( -5.453 -3.148 7.149) 9.527 16.516 ( -1.298 -0.749 -6.370) 6.544 16.594 ( 1.538 0.888 -3.820) 4.213 21.272 ( 2.743 1.584 2.056) 3.776 21.321 ( -6.526 -3.768 -0.060) 7.536 22.137 ( -2.037 -1.176 0.573) 2.420 22.192 ( 0.811 0.469 3.211) 3.345 22.320 ( -0.134 -0.077 -0.563) 0.583 22.411 ( -3.781 -2.183 1.845) 4.740 23.068 ( -1.114 -0.643 -1.643) 2.087 23.136 ( -1.968 -1.136 0.026) 2.272 23.281 ( 2.903 1.676 -0.595) 3.404 23.297 ( 2.181 1.259 0.828) 2.651 23.720 ( -1.601 -0.924 -4.360) 4.736 23.934 ( 0.124 0.072 -2.303) 2.307 23.980 ( 1.423 0.822 3.238) 3.631 24.038 ( -0.948 -0.547 -0.701) 1.300 24.125 ( -1.196 -0.690 2.287) 2.671 24.145 ( -0.540 -0.312 2.258) 2.343 24.817 ( 2.940 1.697 0.102) 3.396 24.895 ( -2.483 -1.434 0.162) 2.872 46.129 ( -14.705 -8.490 6.133) 18.054 46.188 ( 0.104 0.060 18.748) 18.748 46.411 ( -18.330 -10.583 14.679) 25.758 46.617 ( -20.568 -11.875 10.648) 26.028 48.202 ( -23.122 -13.350 -17.194) 31.757 48.832 ( 6.492 3.748 11.002) 13.313 53.946 ( 4.871 2.812 -2.965) 6.359 54.102 ( 7.905 4.564 5.003) 10.409 54.686 ( 1.619 0.934 -2.899) 3.450 54.695 ( 3.514 2.029 -1.316) 4.266 54.850 ( 5.030 2.904 -5.158) 7.768 54.988 ( 0.297 0.171 -3.800) 3.816 ======================= Grid point 96 (31/85) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -17.960 -10.369 -18.643) 27.886 2.298 ( -26.717 -15.425 -3.904) 31.097 3.416 ( -31.231 -18.031 2.060) 36.121 3.721 ( 9.460 5.462 10.155) 14.915 3.927 ( 25.003 14.435 8.172) 30.005 4.449 ( 2.685 1.550 -5.454) 6.273 5.090 ( -1.205 -0.696 -12.537) 12.614 5.489 ( -4.788 -2.765 5.309) 7.665 5.664 ( -7.112 -4.106 6.249) 10.320 5.909 ( 1.420 0.820 -5.094) 5.352 6.056 ( 1.796 1.037 5.497) 5.875 6.109 ( 0.263 0.152 2.021) 2.044 6.581 ( -2.933 -1.694 2.644) 4.297 6.624 ( 3.092 1.785 1.268) 3.789 7.159 ( -7.403 -4.274 -2.987) 9.056 7.227 ( -7.272 -4.198 7.824) 11.477 8.641 ( -3.272 -1.889 7.593) 8.481 8.710 ( 14.209 8.204 4.678) 17.061 9.445 ( -12.890 -7.442 -11.548) 18.839 9.845 ( -6.797 -3.924 -19.495) 21.015 10.891 ( 23.468 13.549 4.888) 27.536 10.908 ( 13.014 7.514 -0.356) 15.032 11.591 ( 5.197 3.001 1.130) 6.107 11.647 ( 1.369 0.790 0.869) 1.804 11.910 ( -1.229 -0.709 -3.733) 3.994 12.205 ( -7.032 -4.060 1.115) 8.196 12.328 ( 3.249 1.876 3.213) 4.939 12.681 ( 18.465 10.661 1.683) 21.388 13.742 ( -0.857 -0.495 -1.509) 1.805 14.321 ( -0.395 -0.228 7.826) 7.839 15.395 ( 4.465 2.578 -1.517) 5.374 15.428 ( 4.878 2.816 -3.334) 6.545 15.837 ( -3.881 -2.241 1.586) 4.754 16.017 ( -6.078 -3.509 3.764) 7.964 16.450 ( 0.038 0.022 -3.371) 3.372 16.565 ( 1.200 0.693 -5.592) 5.761 21.196 ( -6.513 -3.761 -0.537) 7.540 21.347 ( 3.242 1.872 1.323) 3.970 22.102 ( -2.343 -1.352 0.459) 2.744 22.239 ( -0.177 -0.102 3.313) 3.319 22.299 ( -0.588 -0.340 -1.700) 1.831 22.352 ( -3.838 -2.216 1.094) 4.565 23.001 ( -3.145 -1.816 -2.011) 4.151 23.064 ( -4.192 -2.420 -0.773) 4.902 23.349 ( 4.436 2.561 -0.639) 5.162 23.378 ( 3.677 2.123 2.045) 4.712 23.655 ( -1.234 -0.713 -2.403) 2.794 23.911 ( -0.233 -0.135 -1.184) 1.214 24.005 ( -1.559 -0.900 -0.955) 2.038 24.021 ( -0.076 -0.044 1.327) 1.330 24.133 ( -0.595 -0.344 2.452) 2.547 24.147 ( -0.937 -0.541 0.521) 1.201 24.849 ( -2.603 -1.503 0.105) 3.007 24.872 ( 2.786 1.609 0.214) 3.224 45.831 ( -22.932 -13.240 4.983) 26.944 46.226 ( -21.692 -12.524 4.147) 25.388 46.245 ( -16.622 -9.597 12.571) 22.944 46.426 ( -3.988 -2.303 14.520) 15.233 47.532 ( -25.296 -14.604 -17.364) 33.980 48.916 ( -1.797 -1.038 -1.405) 2.506 54.082 ( 9.350 5.398 1.793) 10.945 54.334 ( 8.312 4.799 7.290) 12.052 54.666 ( 0.630 0.364 -4.116) 4.180 54.730 ( 2.096 1.210 -1.641) 2.924 54.883 ( 4.224 2.439 -3.920) 6.258 54.939 ( -1.044 -0.603 -3.129) 3.353 ======================= Grid point 97 (32/85) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -21.030 -12.142 2.446) 24.406 1.733 ( -29.651 -17.119 -2.925) 34.363 2.693 ( -42.960 -24.803 0.694) 49.611 4.135 ( 14.490 8.366 15.113) 22.547 4.378 ( 13.135 7.584 -9.968) 18.150 4.489 ( 12.515 7.226 7.708) 16.378 4.959 ( 0.690 0.398 -9.933) 9.965 5.441 ( -3.338 -1.927 -0.740) 3.924 5.515 ( -7.223 -4.170 -4.379) 9.420 5.971 ( 3.847 2.221 3.217) 5.485 6.027 ( -7.099 -4.098 4.719) 9.458 6.241 ( 6.878 3.971 2.066) 8.207 6.508 ( -4.814 -2.780 -3.333) 6.482 6.668 ( 1.353 0.781 0.230) 1.579 7.011 ( -6.633 -3.830 0.574) 7.681 7.190 ( -8.253 -4.765 10.234) 13.983 8.653 ( -3.881 -2.241 4.315) 6.222 8.802 ( -3.433 -1.982 -9.389) 10.192 9.321 ( 4.258 2.458 6.854) 8.435 9.566 ( -1.376 -0.794 -14.592) 14.678 11.111 ( 9.958 5.749 -0.865) 11.531 11.316 ( 17.941 10.358 1.274) 20.755 11.660 ( 0.305 0.176 -2.445) 2.470 11.698 ( 4.859 2.805 1.220) 5.741 11.878 ( 1.273 0.735 -1.707) 2.253 12.095 ( -6.785 -3.917 2.280) 8.159 12.410 ( 1.924 1.111 2.617) 3.433 13.054 ( 20.591 11.888 -1.828) 23.846 13.716 ( -0.854 -0.493 -0.320) 1.037 14.360 ( -1.057 -0.610 -0.698) 1.406 15.476 ( 3.629 2.095 2.335) 4.797 15.482 ( 3.573 2.063 -1.069) 4.262 15.784 ( -2.184 -1.261 -0.749) 2.631 15.928 ( -5.693 -3.287 0.032) 6.573 16.437 ( 0.733 0.423 -0.564) 1.017 16.531 ( 0.191 0.110 -0.351) 0.415 21.077 ( -5.611 -3.239 -0.352) 6.488 21.418 ( 3.014 1.740 0.904) 3.595 22.061 ( -2.339 -1.350 0.164) 2.706 22.216 ( -5.151 -2.974 1.497) 6.133 22.272 ( 0.149 0.086 -1.694) 1.703 22.342 ( 0.661 0.382 2.218) 2.346 22.921 ( -3.256 -1.880 -1.338) 3.990 22.980 ( -4.390 -2.534 0.141) 5.071 23.418 ( 4.232 2.444 -1.396) 5.083 23.460 ( 3.105 1.793 1.176) 3.773 23.622 ( -0.901 -0.520 -0.057) 1.042 23.901 ( -0.410 -0.237 0.464) 0.663 23.963 ( -1.937 -1.119 -0.444) 2.281 24.013 ( -1.405 -0.811 0.326) 1.654 24.125 ( -0.988 -0.570 -1.105) 1.589 24.153 ( 0.051 0.029 1.456) 1.457 24.802 ( -2.415 -1.394 -0.157) 2.793 24.923 ( 2.369 1.368 0.247) 2.746 45.439 ( -23.765 -13.721 3.862) 27.712 45.747 ( -27.308 -15.766 -2.233) 31.611 46.091 ( -16.295 -9.408 15.257) 24.224 46.554 ( -1.993 -1.151 14.046) 14.233 46.971 ( -17.949 -10.363 -9.175) 22.666 48.804 ( -3.825 -2.209 -6.493) 7.853 54.279 ( 8.200 4.734 2.424) 9.774 54.491 ( 1.679 0.970 -0.883) 2.130 54.667 ( 4.042 2.333 1.062) 4.786 54.737 ( 1.610 0.930 -2.911) 3.454 54.885 ( -1.390 -0.803 -2.395) 2.883 54.925 ( 3.580 2.067 -1.206) 4.307 ======================= Grid point 98 (33/85) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -20.665 -11.931 28.251) 36.980 1.182 ( -29.463 -17.011 5.188) 34.415 1.940 ( -44.483 -25.682 14.276) 53.311 4.400 ( 7.889 4.555 -10.634) 14.002 4.537 ( 12.318 7.112 9.870) 17.313 4.878 ( 14.984 8.651 5.983) 18.308 4.894 ( 2.027 1.170 -5.411) 5.896 5.346 ( -2.338 -1.350 -6.577) 7.110 5.355 ( -5.231 -3.020 -2.308) 6.466 5.930 ( -9.611 -5.549 5.861) 12.551 6.041 ( 0.351 0.203 -4.496) 4.514 6.366 ( 6.297 3.636 -2.178) 7.591 6.375 ( -2.317 -1.338 -1.537) 3.085 6.704 ( 0.866 0.500 3.306) 3.454 6.911 ( -5.689 -3.285 -0.418) 6.583 7.135 ( -9.696 -5.598 8.670) 14.160 8.581 ( -4.887 -2.821 -1.566) 5.856 8.615 ( -5.586 -3.225 -1.828) 6.704 9.476 ( 4.146 2.394 -7.280) 8.713 9.527 ( 6.286 3.629 6.021) 9.431 11.266 ( 7.384 4.263 0.564) 8.545 11.552 ( 7.823 4.516 -2.479) 9.367 11.610 ( -0.733 -0.423 -4.839) 4.912 11.803 ( 5.809 3.354 0.034) 6.707 11.895 ( 2.485 1.434 -2.744) 3.970 12.015 ( -4.457 -2.573 2.247) 5.616 12.454 ( 0.243 0.140 1.415) 1.442 13.280 ( 12.040 6.951 -22.983) 26.861 13.706 ( -0.645 -0.372 1.342) 1.535 14.206 ( -6.140 -3.545 -14.054) 15.742 15.529 ( 1.519 0.877 0.526) 1.831 15.568 ( 1.296 0.748 4.862) 5.087 15.747 ( 0.368 0.212 -2.317) 2.356 15.820 ( -3.610 -2.084 -3.054) 5.167 16.458 ( 0.767 0.443 1.595) 1.824 16.682 ( 7.780 4.492 20.819) 22.674 20.991 ( -3.772 -2.178 1.004) 4.470 21.476 ( 2.133 1.231 0.885) 2.617 22.025 ( -1.670 -0.964 0.252) 1.944 22.128 ( -5.242 -3.026 0.679) 6.091 22.275 ( 1.610 0.930 -0.684) 1.981 22.381 ( 0.541 0.313 1.491) 1.617 22.856 ( -2.594 -1.498 -0.424) 3.026 22.907 ( -4.125 -2.381 1.022) 4.871 23.471 ( 3.517 2.031 -1.958) 4.508 23.514 ( 2.022 1.168 -0.223) 2.346 23.618 ( -0.769 -0.444 1.854) 2.055 23.907 ( -0.397 -0.229 1.959) 2.012 23.931 ( -1.653 -0.954 0.969) 2.140 23.990 ( -1.473 -0.850 0.673) 1.829 24.091 ( -0.503 -0.290 -2.237) 2.311 24.154 ( -0.564 -0.326 -1.162) 1.332 24.759 ( -1.841 -1.063 -0.510) 2.186 24.964 ( 1.720 0.993 0.221) 1.998 45.106 ( -17.112 -9.879 8.779) 21.621 45.277 ( -20.563 -11.872 1.507) 23.792 46.041 ( -10.986 -6.343 24.507) 27.595 46.630 ( -7.846 -4.530 5.960) 10.845 46.697 ( -5.254 -3.033 7.571) 9.702 48.663 ( -3.476 -2.007 -7.305) 8.335 54.415 ( 4.025 2.324 1.314) 4.830 54.436 ( -0.278 -0.161 -6.667) 6.675 54.735 ( 2.623 1.515 -3.883) 4.924 54.779 ( 3.057 1.765 2.928) 4.586 54.833 ( -1.178 -0.680 -2.613) 2.946 54.980 ( 2.387 1.378 0.390) 2.784 ======================= Grid point 101 (34/85) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.000 1.861 26.299) 26.364 1.939 ( -0.000 10.387 26.782) 28.725 3.196 ( -0.000 11.396 38.738) 40.379 3.999 ( 0.000 -4.037 -37.417) 37.634 4.265 ( 0.000 -12.644 -5.124) 13.643 4.627 ( 0.000 8.520 -0.648) 8.545 5.466 ( -0.000 -19.487 13.935) 23.957 5.604 ( -0.000 -9.623 7.138) 11.981 5.663 ( -0.000 -3.823 9.467) 10.210 5.852 ( -0.000 5.721 6.155) 8.403 5.963 ( -0.000 11.121 0.950) 11.162 6.266 ( -0.000 -0.924 0.266) 0.962 6.346 ( 0.000 4.253 -2.087) 4.737 6.674 ( 0.000 -5.922 -0.897) 5.990 6.992 ( -0.000 0.522 2.919) 2.965 7.239 ( -0.000 16.448 8.802) 18.655 8.320 ( 0.000 -1.303 -4.588) 4.769 8.738 ( -0.000 6.619 4.191) 7.834 9.385 ( 0.000 -6.602 -3.906) 7.671 9.631 ( 0.000 4.702 -2.733) 5.438 11.052 ( 0.000 -7.467 -19.219) 20.618 11.146 ( 0.000 -2.703 -18.658) 18.852 11.357 ( 0.000 -2.883 -3.818) 4.784 11.757 ( 0.000 -0.226 -2.567) 2.577 11.842 ( -0.000 1.635 -0.115) 1.639 11.975 ( 0.000 4.569 -1.900) 4.949 12.312 ( 0.000 0.477 -6.753) 6.769 12.403 ( 0.000 4.292 -2.206) 4.826 13.924 ( 0.000 -2.070 -3.249) 3.853 14.001 ( -0.000 -1.427 12.099) 12.183 15.291 ( 0.000 0.644 -8.985) 9.008 15.335 ( 0.000 3.937 -9.501) 10.285 15.963 ( -0.000 -4.343 7.874) 8.992 16.043 ( -0.000 1.074 10.024) 10.081 16.579 ( -0.000 -0.259 0.957) 0.991 16.933 ( 0.000 -4.713 -15.396) 16.101 21.123 ( -0.000 -0.623 5.283) 5.319 21.574 ( -0.000 -1.747 1.486) 2.293 22.069 ( -0.000 -0.488 2.405) 2.454 22.116 ( -0.000 4.438 2.918) 5.311 22.353 ( -0.000 -3.813 1.631) 4.147 22.463 ( -0.000 3.008 2.958) 4.219 22.887 ( -0.000 -0.212 2.891) 2.899 22.945 ( -0.000 3.549 3.571) 5.035 23.387 ( 0.000 -2.885 -4.062) 4.983 23.430 ( 0.000 0.306 -3.836) 3.848 23.781 ( -0.000 1.072 5.369) 5.475 23.921 ( 0.000 -1.778 -4.719) 5.043 23.979 ( 0.000 1.818 -4.101) 4.486 24.047 ( -0.000 0.190 1.760) 1.770 24.074 ( -0.000 -0.142 4.432) 4.434 24.081 ( -0.000 0.297 4.455) 4.465 24.692 ( 0.000 1.121 -0.558) 1.253 24.992 ( 0.000 -0.726 -0.155) 0.742 45.787 ( -0.000 -2.714 27.480) 27.613 45.911 ( -0.000 -0.453 27.843) 27.847 46.952 ( -0.000 2.742 15.835) 16.070 47.362 ( -0.000 -3.306 32.015) 32.186 47.478 ( -0.000 2.562 23.350) 23.490 48.502 ( -0.000 10.753 5.756) 12.197 54.092 ( 0.000 -4.271 -7.866) 8.950 54.213 ( 0.000 -0.327 -10.006) 10.012 54.501 ( 0.000 -5.581 -8.003) 9.756 54.625 ( 0.000 0.616 -5.731) 5.764 54.731 ( 0.000 5.726 -4.049) 7.013 54.901 ( 0.000 5.858 -3.867) 7.020 ======================= Grid point 102 (35/85) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 11.861 1.003 19.633) 22.959 2.339 ( 5.016 9.115 23.037) 25.277 3.508 ( -4.410 -3.723 -36.513) 36.967 3.602 ( -11.796 7.305 23.339) 27.151 4.123 ( 3.047 -8.498 1.755) 9.196 4.688 ( -1.829 5.183 0.174) 5.499 5.418 ( 0.946 -23.868 5.720) 24.562 5.574 ( -1.561 -8.131 7.133) 10.928 5.732 ( -1.364 -0.403 6.322) 6.479 5.931 ( -5.165 3.872 7.310) 9.752 6.031 ( 3.809 3.751 -3.708) 6.506 6.293 ( -4.066 2.625 4.345) 6.504 6.380 ( -2.417 5.654 4.717) 7.750 6.591 ( -3.956 0.172 -1.206) 4.140 7.077 ( 8.220 -4.491 2.334) 9.654 7.458 ( -4.509 18.023 10.250) 21.218 8.228 ( -2.449 -2.544 -5.053) 6.164 8.981 ( 17.425 9.680 3.948) 20.321 9.180 ( -12.557 -3.932 -2.914) 13.477 9.770 ( 16.279 4.501 -3.540) 17.257 10.719 ( -5.834 -8.827 -19.451) 22.143 10.865 ( -3.577 -6.483 -19.637) 20.986 11.319 ( 3.292 -2.540 -3.192) 5.242 11.716 ( -2.015 0.924 -1.944) 2.948 11.875 ( 4.683 -1.078 -0.983) 4.905 12.021 ( 0.685 9.028 -0.404) 9.063 12.213 ( -2.092 0.182 -6.349) 6.687 12.434 ( 1.774 3.821 -2.979) 5.160 13.864 ( -0.745 -2.678 -2.717) 3.887 14.122 ( -0.243 -2.814 12.304) 12.624 15.224 ( 2.585 1.263 -7.394) 7.934 15.280 ( 1.370 4.794 -7.864) 9.311 15.994 ( -1.435 -5.119 6.171) 8.145 16.148 ( -1.997 1.020 9.212) 9.480 16.580 ( 0.270 -0.293 -0.696) 0.802 16.721 ( -1.730 -3.240 -13.067) 13.573 21.173 ( 0.351 -1.164 4.478) 4.640 21.553 ( -2.499 -2.547 0.910) 3.682 22.098 ( 1.147 -1.518 2.398) 3.061 22.189 ( -0.756 5.507 3.118) 6.373 22.337 ( -0.682 -2.565 1.479) 3.038 22.509 ( -1.719 2.520 3.133) 4.373 22.940 ( 2.872 0.115 2.717) 3.955 23.026 ( 1.536 3.451 3.685) 5.277 23.311 ( -0.405 -3.461 -4.036) 5.332 23.379 ( -1.373 0.212 -3.823) 4.068 23.844 ( -0.652 -1.688 -4.280) 4.646 23.859 ( 0.574 1.340 4.632) 4.856 23.950 ( 0.542 1.336 -3.907) 4.164 24.062 ( -0.243 0.173 0.887) 0.935 24.118 ( 0.026 -0.413 3.646) 3.670 24.128 ( -0.221 0.103 3.729) 3.737 24.708 ( 1.107 1.496 0.113) 1.865 24.978 ( -0.795 -0.864 -0.223) 1.195 46.022 ( -4.504 -3.977 27.093) 27.752 46.215 ( 2.566 -6.059 22.911) 23.837 47.072 ( -13.293 2.051 18.311) 22.720 47.464 ( -24.149 -0.012 23.053) 33.386 47.961 ( 15.697 7.815 30.615) 35.281 48.704 ( 5.863 5.744 3.050) 8.756 53.955 ( -2.286 -2.563 -6.208) 7.095 54.060 ( -1.111 -4.524 -12.722) 13.548 54.417 ( 6.670 -4.676 -5.493) 9.825 54.602 ( 4.054 1.337 -5.411) 6.891 54.734 ( 0.003 6.234 -3.700) 7.249 54.934 ( 1.819 7.617 -3.375) 8.528 ======================= Grid point 103 (36/85) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 7.225 -7.112 0.831) 10.172 2.739 ( 10.888 12.691 14.191) 21.932 3.106 ( 0.311 -2.142 -14.036) 14.202 3.469 ( -21.529 -5.123 5.255) 22.746 4.289 ( 5.163 2.562 9.779) 11.351 4.611 ( -12.325 -0.498 -0.733) 12.356 5.257 ( 1.791 -22.218 -3.272) 22.529 5.616 ( 0.483 -4.912 10.012) 11.163 5.752 ( -6.299 3.456 4.102) 8.273 5.936 ( -4.028 1.801 3.064) 5.372 6.072 ( 3.201 -0.500 -1.425) 3.539 6.257 ( -9.408 3.019 2.263) 10.137 6.458 ( -1.124 4.460 6.050) 7.600 6.582 ( 0.186 3.056 1.454) 3.390 7.160 ( 7.718 -8.743 0.893) 11.696 7.615 ( -10.136 17.204 8.634) 21.755 8.153 ( 2.203 -1.329 -1.084) 2.792 8.932 ( -12.856 -3.130 1.369) 13.302 9.465 ( 28.228 12.992 2.324) 31.160 9.974 ( 13.510 3.142 -10.909) 17.647 10.382 ( -2.756 -6.529 -10.540) 12.700 10.515 ( -5.477 -8.388 -19.419) 21.851 11.336 ( 5.830 -2.172 -1.608) 6.426 11.673 ( -2.456 0.652 -1.020) 2.738 11.953 ( 8.381 1.785 -1.331) 8.672 12.065 ( -0.555 1.272 -3.247) 3.531 12.175 ( 1.910 7.618 -1.918) 8.085 12.433 ( -1.853 2.801 -1.715) 3.771 13.806 ( -0.776 -2.501 -1.922) 3.248 14.225 ( 0.198 -3.519 10.400) 10.981 15.213 ( 4.309 1.263 -4.936) 6.673 15.274 ( 2.517 5.051 -4.897) 7.472 15.983 ( -2.313 -5.070 3.685) 6.681 16.203 ( -4.223 0.604 6.728) 7.967 16.555 ( -1.255 -1.591 -9.005) 9.230 16.567 ( 0.530 -0.179 -2.239) 2.308 21.219 ( 1.191 -1.003 3.369) 3.711 21.486 ( -4.770 -3.101 0.260) 5.696 22.125 ( 1.522 -2.871 2.113) 3.877 22.234 ( -2.927 3.024 2.921) 5.122 22.338 ( -0.550 1.278 1.139) 1.798 22.522 ( -3.669 1.474 2.850) 4.874 23.017 ( 3.876 0.329 1.377) 4.126 23.114 ( 1.877 1.837 2.859) 3.882 23.242 ( 0.561 -2.632 -2.973) 4.010 23.315 ( -2.199 0.383 -3.107) 3.826 23.762 ( -1.290 -1.608 -4.357) 4.820 23.925 ( 0.472 0.733 -2.117) 2.289 23.941 ( 1.184 1.447 3.630) 4.084 24.061 ( -0.724 0.077 -0.056) 0.730 24.146 ( -0.218 -0.833 2.351) 2.504 24.159 ( -0.539 0.031 2.697) 2.750 24.746 ( 1.945 1.556 0.585) 2.558 24.952 ( -1.505 -0.935 -0.205) 1.784 46.220 ( -2.969 -6.478 23.865) 24.906 46.371 ( -3.371 -9.028 16.418) 19.037 47.046 ( -22.511 0.858 19.748) 29.958 47.316 ( -28.534 -1.457 17.424) 33.465 48.540 ( 10.651 4.980 17.423) 21.019 48.713 ( -7.940 1.525 1.011) 8.148 53.849 ( 2.385 -5.315 -9.606) 11.234 53.937 ( 2.758 1.599 -1.705) 3.615 54.460 ( 10.961 -4.490 -3.788) 12.436 54.622 ( 4.919 1.986 -4.933) 7.244 54.748 ( 0.743 5.697 -3.210) 6.581 54.973 ( 0.513 7.097 -3.455) 7.910 ======================= Grid point 104 (37/85) ======================= q-point: (-0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -11.940 -8.413 -15.758) 21.486 2.924 ( -11.313 -12.757 -2.134) 17.184 3.269 ( 16.731 10.135 12.362) 23.140 3.393 ( 3.932 7.152 13.564) 15.830 4.305 ( -23.319 -5.022 -0.278) 23.855 4.419 ( -0.743 -1.082 1.512) 2.002 5.062 ( 1.190 -15.677 -7.413) 17.382 5.690 ( -5.036 0.235 2.864) 5.798 5.731 ( -1.193 -1.282 8.900) 9.071 5.946 ( -1.195 -0.928 -0.818) 1.720 6.027 ( -2.896 0.079 -2.637) 3.917 6.196 ( -5.642 4.139 2.645) 7.481 6.553 ( 1.237 3.382 4.254) 5.574 6.632 ( -0.582 2.686 1.956) 3.374 7.158 ( 3.810 -12.175 -0.093) 12.757 7.613 ( -15.980 13.366 3.412) 21.110 8.302 ( 12.363 1.747 6.779) 14.207 8.818 ( -8.791 1.650 6.444) 11.024 9.752 ( -4.523 -6.869 -16.258) 18.221 9.910 ( 9.699 3.821 -12.853) 16.549 10.258 ( 10.971 0.869 -6.021) 12.544 10.467 ( 16.946 3.350 -1.385) 17.329 11.408 ( 7.740 -1.713 0.235) 7.931 11.645 ( -1.415 0.743 -0.013) 1.598 11.972 ( -2.789 2.307 -4.703) 5.935 12.152 ( 14.596 2.970 -0.157) 14.896 12.267 ( 3.295 5.049 -0.247) 6.034 12.401 ( -4.661 3.948 0.478) 6.127 13.762 ( -0.589 -1.841 -1.016) 2.184 14.305 ( 1.215 -3.251 6.655) 7.506 15.251 ( 5.259 1.102 -1.748) 5.651 15.315 ( 3.158 4.291 -1.792) 5.621 15.936 ( -2.836 -4.256 1.053) 5.222 16.191 ( -5.978 0.101 3.187) 6.775 16.457 ( -0.500 -0.550 -4.754) 4.811 16.544 ( 0.488 -0.066 -2.824) 2.867 21.269 ( 2.292 -0.460 2.383) 3.338 21.382 ( -6.360 -3.168 -0.335) 7.113 22.136 ( 0.624 -3.485 1.549) 3.865 22.239 ( -2.104 0.104 2.718) 3.438 22.351 ( -2.214 3.484 0.448) 4.152 22.496 ( -5.391 0.666 2.319) 5.906 23.043 ( 0.243 -2.284 -1.626) 2.814 23.151 ( 0.032 -0.268 0.786) 0.831 23.236 ( 2.192 0.398 -2.070) 3.041 23.289 ( 1.691 1.802 0.520) 2.525 23.692 ( -1.326 -1.201 -2.672) 3.215 23.911 ( 0.315 0.217 -1.329) 1.383 24.007 ( 0.829 1.013 2.896) 3.178 24.043 ( -1.217 -0.022 -0.633) 1.372 24.153 ( -0.588 -1.054 1.294) 1.769 24.173 ( -0.816 -0.030 1.228) 1.475 24.797 ( 2.444 1.342 0.749) 2.887 24.917 ( -2.111 -0.967 -0.184) 2.329 46.319 ( -8.993 -12.388 13.486) 20.401 46.387 ( -4.699 -10.175 16.948) 20.319 46.933 ( -26.587 2.317 19.771) 33.213 47.050 ( -31.169 -3.931 12.358) 33.759 48.259 ( -24.151 -9.990 -13.742) 29.528 48.929 ( 0.815 5.446 9.508) 10.987 53.813 ( 9.325 -2.416 -4.067) 10.456 54.079 ( 9.218 4.374 5.464) 11.574 54.536 ( 10.507 -4.162 -3.785) 11.918 54.644 ( 3.480 1.889 -4.726) 6.166 54.771 ( 1.944 4.284 -2.962) 5.559 54.978 ( -1.635 5.825 -3.345) 6.913 ======================= Grid point 105 (38/85) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -17.232 -7.516 1.850) 18.890 2.509 ( -24.484 -14.537 -1.729) 28.527 3.708 ( 2.446 1.791 7.342) 7.944 3.766 ( 17.208 8.514 10.070) 21.679 3.863 ( -19.558 -0.034 2.234) 19.685 4.391 ( -0.029 -5.051 0.529) 5.078 4.887 ( 2.551 -10.609 -8.858) 14.054 5.604 ( -7.404 2.235 -1.844) 7.951 5.751 ( -7.617 -2.728 -11.190) 13.809 5.843 ( 1.901 -3.179 9.701) 10.384 6.089 ( 3.223 3.133 3.266) 5.556 6.199 ( -3.028 3.573 2.265) 5.203 6.622 ( -2.255 1.066 -1.506) 2.914 6.628 ( -0.099 1.893 1.243) 2.267 7.094 ( 0.121 -11.489 1.924) 11.649 7.527 ( -14.912 8.086 5.222) 17.749 8.563 ( 12.774 -2.583 4.795) 13.886 8.843 ( -5.963 6.916 6.928) 11.462 9.446 ( -8.876 -3.338 -6.122) 11.288 9.648 ( -4.411 -5.835 -20.110) 21.399 10.655 ( 27.287 9.537 0.917) 28.920 10.722 ( 18.132 4.437 -3.159) 18.932 11.520 ( 8.280 -1.178 1.439) 8.486 11.641 ( 0.114 0.987 -0.828) 1.293 11.904 ( -2.617 2.721 -3.476) 5.131 12.277 ( -3.887 -2.675 1.976) 5.116 12.371 ( 2.671 6.366 2.691) 7.410 12.475 ( 16.437 6.817 -2.986) 18.043 13.736 ( -0.571 -1.061 -0.165) 1.216 14.346 ( 1.707 -2.332 0.302) 2.906 15.335 ( 5.786 0.667 1.474) 6.008 15.385 ( 3.250 3.065 1.229) 4.633 15.863 ( -3.028 -2.802 -1.507) 4.393 16.114 ( -7.088 -0.578 -0.357) 7.121 16.420 ( 0.289 0.166 -1.326) 1.367 16.525 ( 0.267 0.055 -0.683) 0.735 21.258 ( -7.026 -2.708 -0.653) 7.558 21.329 ( 3.221 0.026 1.651) 3.619 22.122 ( -1.274 -2.676 1.126) 3.170 22.240 ( 0.195 -2.323 1.060) 2.561 22.341 ( -3.684 2.362 1.086) 4.509 22.442 ( -6.309 1.122 1.675) 6.623 22.984 ( -1.381 -3.655 -1.623) 4.231 23.115 ( -4.570 0.434 -0.405) 4.608 23.279 ( 5.474 1.059 -1.629) 5.808 23.361 ( 3.773 1.909 0.990) 4.342 23.651 ( -1.136 -0.727 -0.144) 1.356 23.909 ( -0.013 -0.121 0.441) 0.458 24.014 ( -1.647 -0.231 -0.571) 1.759 24.039 ( -0.338 0.175 1.097) 1.161 24.145 ( -0.435 -1.028 -0.138) 1.124 24.167 ( -0.973 0.201 0.249) 1.024 24.850 ( 2.660 0.993 0.723) 2.930 24.874 ( -2.559 -0.932 -0.283) 2.738 46.116 ( -20.973 -13.184 8.224) 26.102 46.393 ( -7.796 -16.296 14.057) 22.890 46.664 ( -32.745 -8.816 7.731) 34.781 46.844 ( -20.746 5.443 17.996) 27.997 47.629 ( -29.136 -9.945 -12.700) 33.303 48.944 ( -6.015 1.490 -2.432) 6.657 53.958 ( 13.901 -0.653 1.192) 13.968 54.334 ( 9.660 5.152 7.337) 13.179 54.589 ( 8.126 -2.632 -4.614) 9.708 54.631 ( 0.898 1.194 -5.262) 5.470 54.811 ( 3.795 2.740 -1.655) 4.965 54.950 ( -3.151 4.417 -2.765) 6.089 ======================= Grid point 106 (39/85) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -20.321 -7.093 24.304) 32.465 2.027 ( -29.147 -10.565 1.467) 31.037 3.184 ( -42.389 -11.064 3.056) 43.915 4.079 ( 17.096 2.082 -10.891) 20.377 4.195 ( 11.759 7.097 16.376) 21.373 4.468 ( 10.491 0.875 8.377) 13.453 4.773 ( 5.563 -6.982 -8.575) 12.378 5.485 ( -6.531 3.449 -6.217) 9.654 5.509 ( -7.022 -0.032 -9.764) 12.027 5.945 ( 3.059 -3.422 6.393) 7.870 6.149 ( -2.205 -1.508 2.938) 3.971 6.242 ( 1.534 5.957 0.861) 6.211 6.501 ( -5.811 -1.465 -6.547) 8.876 6.669 ( 1.370 0.040 2.095) 2.503 7.034 ( -3.059 -7.534 3.942) 9.037 7.436 ( -12.301 -0.168 5.102) 13.319 8.688 ( 2.652 -4.376 2.482) 5.687 8.800 ( -7.418 1.484 -2.344) 7.920 9.359 ( -1.714 -2.411 -10.279) 10.696 9.443 ( 0.729 8.082 4.755) 9.406 10.944 ( 15.738 3.640 -3.566) 16.542 11.078 ( 24.264 6.860 -3.445) 25.449 11.604 ( 1.524 -1.268 -1.894) 2.742 11.664 ( 5.885 2.268 -0.415) 6.321 11.868 ( -1.719 2.180 -1.426) 3.121 12.198 ( -7.318 -3.486 3.180) 8.708 12.441 ( -0.013 3.240 1.448) 3.549 12.766 ( 21.820 6.423 -7.384) 23.914 13.726 ( -0.646 -0.354 0.883) 1.150 14.297 ( -0.456 -1.498 -9.012) 9.147 15.440 ( 4.857 0.449 2.588) 5.522 15.488 ( 3.632 1.318 5.789) 6.960 15.777 ( -2.476 -1.149 -3.870) 4.736 15.982 ( -7.317 -0.999 -3.922) 8.362 16.434 ( 0.844 0.633 1.404) 1.756 16.566 ( 2.105 0.791 6.220) 6.614 21.139 ( -6.550 -1.780 -0.260) 6.792 21.393 ( 3.616 0.094 1.201) 3.811 22.087 ( -2.429 -1.702 0.513) 3.010 22.231 ( 1.243 -2.306 -0.695) 2.711 22.299 ( -5.974 -1.483 2.150) 6.520 22.404 ( -3.402 2.438 1.770) 4.544 22.923 ( -1.920 -2.515 -0.572) 3.215 23.046 ( -5.402 0.160 0.331) 5.414 23.345 ( 5.440 1.667 -2.292) 6.134 23.432 ( 3.688 1.010 0.037) 3.825 23.644 ( -1.076 -0.411 2.295) 2.568 23.918 ( -0.302 -0.370 1.911) 1.969 23.984 ( -1.883 -0.169 0.101) 1.894 24.032 ( -1.341 -0.544 0.489) 1.528 24.114 ( -0.950 -0.535 -2.323) 2.566 24.161 ( -0.227 -0.005 -0.459) 0.513 24.826 ( -2.764 -0.754 -0.548) 2.916 24.901 ( 2.614 0.611 0.611) 2.754 45.752 ( -26.594 -12.464 5.993) 29.975 46.076 ( -33.129 -8.705 0.692) 34.261 46.375 ( -11.873 -18.679 17.792) 28.398 46.835 ( -9.021 -2.021 11.716) 14.924 47.113 ( -25.235 -2.657 0.192) 25.376 48.812 ( -7.243 2.714 -4.543) 8.971 54.157 ( 12.938 -1.938 0.834) 13.109 54.505 ( -0.704 6.944 -1.675) 7.178 54.591 ( 6.035 -4.738 -5.909) 9.685 54.656 ( 6.307 2.971 1.804) 7.201 54.880 ( 3.056 1.667 -0.037) 3.482 54.907 ( -2.489 3.542 -1.377) 4.543 ======================= Grid point 107 (40/85) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -29.261 -3.343 11.548) 31.634 1.646 ( -23.216 -4.996 28.316) 36.955 2.607 ( -41.432 -9.826 18.151) 46.289 4.129 ( 13.048 -4.384 -9.816) 16.906 4.553 ( 9.741 5.461 9.154) 14.440 4.702 ( 12.062 -11.970 -2.153) 17.130 4.800 ( 11.683 12.906 -3.266) 17.712 5.354 ( -2.514 3.698 -7.884) 9.064 5.374 ( -6.132 2.556 0.677) 6.678 5.990 ( -0.359 -2.393 -1.060) 2.641 6.086 ( -8.212 -5.780 5.566) 11.482 6.306 ( 2.548 4.313 -2.540) 5.616 6.359 ( -0.751 -1.792 -4.457) 4.862 6.723 ( 2.260 -1.884 3.847) 4.843 6.953 ( -6.746 -2.315 -0.140) 7.133 7.292 ( -9.860 -10.015 5.148) 14.968 8.576 ( -4.844 -5.183 -5.312) 8.862 8.780 ( -7.964 9.846 5.931) 13.984 9.279 ( 8.145 -3.508 -7.177) 11.409 9.627 ( -0.453 10.830 8.133) 13.551 11.132 ( 13.534 2.760 -3.642) 14.285 11.336 ( 17.040 1.373 -8.560) 19.118 11.557 ( -0.441 1.851 -5.704) 6.014 11.773 ( 5.871 2.347 0.324) 6.331 11.845 ( -1.254 0.006 -0.981) 1.592 12.103 ( -7.082 -3.210 2.715) 8.236 12.455 ( 0.020 -2.083 -0.111) 2.086 12.915 ( 11.420 4.334 -19.155) 22.718 13.737 ( -0.456 0.218 2.851) 2.896 14.120 ( -4.092 -0.570 -11.741) 12.446 15.523 ( 1.861 0.162 1.963) 2.709 15.623 ( 2.307 -0.165 8.353) 8.667 15.702 ( 0.106 -0.325 -4.203) 4.217 15.824 ( -5.336 -0.228 -5.805) 7.888 16.477 ( 0.785 0.680 2.974) 3.150 16.762 ( 9.820 2.207 11.123) 15.001 21.054 ( -4.796 -0.563 1.225) 4.982 21.454 ( 3.386 -0.304 1.106) 3.575 22.049 ( -2.052 -0.559 0.389) 2.162 22.197 ( -4.981 -2.732 0.580) 5.710 22.254 ( 0.378 0.237 0.850) 0.959 22.408 ( -1.226 -0.245 2.027) 2.382 22.881 ( -2.393 -0.303 0.487) 2.461 22.979 ( -5.428 -0.301 1.261) 5.581 23.401 ( 4.751 1.647 -2.762) 5.737 23.477 ( 2.911 0.042 -1.012) 3.082 23.660 ( -1.277 -0.312 3.658) 3.887 23.937 ( -0.362 -0.577 2.964) 3.041 23.968 ( -1.552 0.275 1.589) 2.239 24.015 ( -1.393 -0.610 0.948) 1.792 24.067 ( -0.722 0.180 -3.404) 3.485 24.138 ( -0.677 -0.757 -2.219) 2.440 24.776 ( -2.570 -0.351 -0.851) 2.730 24.944 ( 2.269 0.220 0.444) 2.322 45.389 ( -21.081 -10.433 8.184) 24.905 45.622 ( -27.161 -1.026 5.897) 27.813 46.330 ( -5.370 -17.615 22.026) 28.710 46.732 ( -5.357 -15.866 4.282) 17.285 46.972 ( -16.306 7.811 17.383) 25.081 48.715 ( -7.409 6.640 -1.846) 10.119 54.264 ( 7.964 -2.572 -5.046) 9.772 54.468 ( -2.652 4.723 -4.923) 7.320 54.594 ( 6.987 -0.683 -5.962) 9.210 54.782 ( 3.330 0.551 2.602) 4.262 54.840 ( -3.337 3.092 -3.008) 5.454 54.976 ( 2.209 1.483 2.614) 3.730 ======================= Grid point 111 (41/85) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -0.000 -6.337 11.497) 13.128 2.632 ( -0.000 7.947 22.420) 23.786 3.136 ( 0.000 -1.713 -28.142) 28.194 3.914 ( 0.000 -16.264 -4.963) 17.004 4.103 ( -0.000 13.637 22.197) 26.051 4.769 ( -0.000 6.486 0.832) 6.539 5.235 ( 0.000 -25.307 0.568) 25.314 5.619 ( -0.000 -5.912 8.329) 10.214 5.818 ( -0.000 -0.026 6.849) 6.849 5.990 ( 0.000 2.470 -2.529) 3.535 6.020 ( -0.000 -1.727 2.607) 3.127 6.430 ( -0.000 5.708 5.040) 7.615 6.513 ( -0.000 6.228 6.286) 8.849 6.625 ( -0.000 -0.081 0.906) 0.910 6.978 ( 0.000 -3.836 -1.925) 4.292 7.786 ( -0.000 21.428 11.949) 24.534 8.159 ( 0.000 -3.228 -5.940) 6.760 8.963 ( -0.000 9.472 3.482) 10.092 9.270 ( 0.000 -0.346 -0.332) 0.480 9.588 ( 0.000 2.785 -5.984) 6.601 10.470 ( 0.000 -10.040 -17.512) 20.186 10.600 ( 0.000 -8.779 -20.481) 22.283 11.237 ( 0.000 -3.854 -1.905) 4.299 11.715 ( 0.000 1.030 -1.972) 2.225 11.814 ( 0.000 -0.610 -2.364) 2.442 12.096 ( -0.000 10.396 0.271) 10.400 12.145 ( 0.000 -0.797 -6.506) 6.555 12.450 ( 0.000 7.408 -1.418) 7.542 13.818 ( 0.000 -3.782 -1.603) 4.108 14.221 ( -0.000 -5.322 10.471) 11.746 15.150 ( 0.000 1.665 -4.717) 5.003 15.238 ( 0.000 5.190 -4.735) 7.026 16.013 ( -0.000 -5.977 3.532) 6.943 16.267 ( -0.000 1.831 6.801) 7.043 16.560 ( 0.000 -0.473 -1.801) 1.862 16.574 ( 0.000 -1.800 -10.524) 10.677 21.203 ( -0.000 -2.450 3.824) 4.541 21.557 ( -0.000 -2.816 0.294) 2.831 22.102 ( -0.000 -2.275 2.288) 3.227 22.289 ( -0.000 7.278 3.635) 8.135 22.341 ( -0.000 -2.035 1.746) 2.681 22.580 ( -0.000 3.155 2.676) 4.137 22.948 ( -0.000 -0.459 2.532) 2.573 23.081 ( -0.000 2.893 3.267) 4.364 23.237 ( 0.000 -4.111 -3.968) 5.714 23.349 ( 0.000 0.580 -3.507) 3.555 23.782 ( 0.000 -2.242 -4.074) 4.650 23.916 ( 0.000 1.232 -3.269) 3.494 23.923 ( -0.000 1.781 4.662) 4.991 24.073 ( -0.000 0.354 0.228) 0.421 24.147 ( -0.000 -0.840 2.367) 2.512 24.168 ( -0.000 -0.014 2.846) 2.846 24.718 ( -0.000 1.513 0.829) 1.725 24.973 ( 0.000 -0.740 -0.352) 0.819 46.289 ( -0.000 -8.647 23.100) 24.665 46.389 ( -0.000 -10.887 22.453) 24.954 47.425 ( -0.000 6.758 17.724) 18.968 47.912 ( -0.000 -4.245 14.821) 15.416 48.221 ( -0.000 13.493 30.098) 32.984 48.789 ( -0.000 7.194 8.579) 11.196 53.835 ( 0.000 -9.097 -15.441) 17.922 53.908 ( 0.000 -2.065 -3.612) 4.161 54.256 ( 0.000 -5.474 -5.079) 7.467 54.531 ( 0.000 2.035 -3.702) 4.224 54.748 ( 0.000 7.293 -3.815) 8.230 54.965 ( 0.000 9.779 -2.328) 10.052 ======================= Grid point 112 (42/85) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 5.130 -11.980 -3.715) 13.551 2.872 ( -1.767 4.290 0.150) 4.642 3.018 ( 7.085 3.635 13.136) 15.361 3.658 ( -10.914 -10.954 -1.857) 15.574 4.388 ( 1.762 0.962 9.497) 9.707 4.757 ( -7.873 1.905 0.414) 8.110 5.067 ( -0.822 -14.512 -0.636) 14.549 5.667 ( 0.516 -4.372 6.764) 8.070 5.875 ( -2.209 1.856 3.878) 4.834 5.979 ( -1.698 0.849 -0.748) 2.041 6.017 ( 1.518 -2.040 -1.191) 2.808 6.466 ( -8.158 4.076 3.201) 9.665 6.603 ( -6.086 2.199 6.106) 8.897 6.609 ( 1.688 4.406 -0.422) 4.737 6.985 ( 7.932 -6.686 -1.281) 10.452 8.018 ( -10.986 22.433 3.593) 25.236 8.083 ( 3.475 -5.078 3.459) 7.059 9.115 ( -7.705 1.464 2.055) 8.107 9.256 ( 13.489 10.923 1.804) 17.451 9.693 ( 14.490 3.747 -7.409) 16.700 10.211 ( 0.029 -8.573 -11.570) 14.400 10.274 ( -2.297 -10.522 -19.188) 22.004 11.222 ( 4.325 -3.990 -0.481) 5.904 11.693 ( -1.341 0.750 -1.302) 2.014 11.829 ( 6.505 0.802 -2.552) 7.034 12.055 ( -2.533 1.441 -5.169) 5.934 12.196 ( 2.257 7.463 0.089) 7.798 12.494 ( -1.709 8.795 -0.756) 8.991 13.774 ( -0.229 -3.815 -0.321) 3.835 14.274 ( 0.700 -6.518 6.707) 9.378 15.142 ( 2.186 1.342 -1.549) 2.997 15.254 ( 1.146 4.667 -1.143) 4.940 15.985 ( -0.780 -5.447 0.728) 5.550 16.320 ( -2.813 1.917 3.027) 4.555 16.469 ( -0.186 -0.419 -5.999) 6.016 16.535 ( 0.145 -0.348 -2.016) 2.051 21.225 ( 0.838 -2.693 2.914) 4.055 21.515 ( -2.695 -2.819 -0.293) 3.911 22.110 ( 0.646 -3.222 2.105) 3.902 22.325 ( -2.898 0.108 2.169) 3.621 22.390 ( -0.288 5.949 2.649) 6.519 22.613 ( -2.471 2.660 2.136) 4.213 22.984 ( 2.426 -0.821 1.085) 2.781 23.131 ( 0.107 -0.013 0.977) 0.983 23.174 ( 1.785 -2.122 -2.097) 3.477 23.313 ( -1.211 1.179 -2.420) 2.952 23.722 ( -0.667 -2.027 -2.545) 3.321 23.898 ( 0.437 0.697 -1.750) 1.934 23.987 ( 0.424 1.692 3.475) 3.888 24.071 ( -0.655 0.454 -0.357) 0.873 24.157 ( 0.094 -1.169 0.844) 1.445 24.190 ( -0.364 -0.121 1.629) 1.673 24.748 ( 0.936 1.194 1.209) 1.940 24.958 ( -0.789 -0.598 -0.379) 1.060 46.430 ( -2.143 -11.880 19.629) 23.044 46.512 ( -1.873 -13.387 17.719) 22.287 47.558 ( -14.512 4.692 16.117) 22.189 47.842 ( -21.082 -3.168 11.634) 24.287 48.609 ( 1.193 4.679 6.366) 7.990 48.956 ( -4.095 9.574 16.148) 19.215 53.614 ( 4.056 -9.592 -11.789) 15.731 53.890 ( 3.560 -0.076 -0.051) 3.561 54.228 ( 8.333 -5.336 -3.835) 10.612 54.539 ( 2.657 2.402 -2.173) 4.189 54.763 ( -0.233 7.194 -3.535) 8.019 55.014 ( -0.730 9.056 -2.194) 9.346 ======================= Grid point 113 (43/85) ======================= q-point: (-0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -3.412 -9.017 1.288) 9.727 2.879 ( 0.938 -8.786 0.529) 8.852 3.332 ( 3.397 7.120 10.307) 12.980 3.530 ( 1.516 1.423 9.718) 9.938 4.367 ( 0.910 -18.602 -0.373) 18.628 4.611 ( -18.790 3.790 1.575) 19.233 4.932 ( -5.061 -4.291 -4.497) 8.015 5.690 ( 0.923 -3.872 -1.275) 4.179 5.854 ( -6.349 1.126 1.345) 6.587 5.957 ( -1.221 -0.016 0.591) 1.356 6.022 ( 1.944 0.863 -0.323) 2.151 6.364 ( -10.939 1.406 1.283) 11.104 6.613 ( -0.731 2.299 1.371) 2.775 6.670 ( 0.539 4.522 -0.525) 4.584 7.019 ( 5.136 -8.823 2.280) 10.461 7.953 ( -11.578 13.261 -3.830) 18.015 8.248 ( 4.771 -0.993 10.800) 11.849 9.052 ( -8.693 5.568 6.767) 12.344 9.536 ( 9.358 1.472 -8.398) 12.660 9.734 ( 0.868 3.151 -9.406) 9.958 10.020 ( 9.569 -2.997 -9.063) 13.516 10.207 ( 16.475 -1.663 -4.303) 17.109 11.280 ( 7.675 -3.576 1.194) 8.551 11.668 ( -1.484 0.718 -0.613) 1.759 11.947 ( 11.239 1.423 -3.199) 11.772 11.990 ( -0.579 4.870 -3.406) 5.971 12.274 ( 1.889 3.309 0.915) 3.918 12.519 ( -4.150 8.516 -0.208) 9.476 13.746 ( -0.190 -2.952 0.786) 3.061 14.290 ( 1.896 -5.965 1.712) 6.490 15.194 ( 3.909 0.568 1.687) 4.296 15.312 ( 1.884 3.237 1.948) 4.222 15.927 ( -1.408 -3.865 -1.485) 4.373 16.289 ( -5.076 1.808 -1.206) 5.522 16.422 ( -0.234 0.145 -1.956) 1.975 16.518 ( 0.202 -0.029 -0.929) 0.951 21.253 ( 2.066 -2.283 2.076) 3.714 21.434 ( -5.016 -2.337 -0.740) 5.583 22.116 ( 0.846 -3.627 1.915) 4.188 22.298 ( -3.308 -0.703 1.160) 3.576 22.438 ( -2.967 4.830 1.952) 5.995 22.604 ( -4.622 1.992 1.762) 5.332 22.995 ( 0.858 -2.746 -1.466) 3.229 23.129 ( 3.101 -0.876 -0.335) 3.240 23.196 ( 1.242 0.486 -1.008) 1.672 23.293 ( -0.174 1.785 -0.526) 1.869 23.681 ( -0.930 -1.382 -0.104) 1.669 23.900 ( 0.553 0.182 0.238) 0.629 24.035 ( 0.336 1.109 1.914) 2.237 24.055 ( -1.244 0.398 -0.725) 1.494 24.151 ( 0.117 -1.162 -0.556) 1.293 24.192 ( -0.740 -0.152 0.280) 0.806 24.788 ( 1.656 0.668 1.246) 2.177 24.933 ( -1.561 -0.480 -0.407) 1.683 46.471 ( -5.577 -15.104 14.351) 21.568 46.532 ( -4.210 -14.818 15.109) 21.578 47.467 ( -22.917 -0.996 10.125) 25.074 47.601 ( -27.581 -1.576 10.038) 29.393 48.416 ( -23.067 -2.996 -6.450) 24.138 49.114 ( -6.155 6.974 6.246) 11.204 53.578 ( 11.943 -6.101 -2.754) 13.691 54.034 ( 10.760 2.955 5.215) 12.317 54.278 ( 11.298 -5.809 -4.721) 13.553 54.581 ( 2.958 2.587 -1.051) 4.068 54.772 ( -0.499 6.104 -3.494) 7.051 55.033 ( -2.380 7.278 -2.316) 7.999 ======================= Grid point 114 (44/85) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -10.630 -5.449 21.567) 24.654 2.691 ( -16.025 -10.087 1.721) 19.013 3.514 ( 14.552 5.020 -4.876) 16.148 3.867 ( 10.224 5.759 17.124) 20.759 4.180 ( -11.255 -12.232 1.121) 16.659 4.349 ( -12.054 -9.743 1.224) 15.547 4.757 ( -5.721 -0.371 -8.626) 10.358 5.573 ( -1.497 -0.362 -13.962) 14.046 5.765 ( -8.167 0.452 -1.086) 8.251 5.962 ( -3.122 -1.039 6.851) 7.601 6.082 ( 3.980 1.634 0.700) 4.358 6.266 ( -4.297 -0.099 0.133) 4.300 6.615 ( -0.324 1.113 -3.646) 3.826 6.673 ( -1.937 3.195 -1.781) 4.139 7.055 ( 1.721 -7.354 7.347) 10.536 7.824 ( -14.830 7.278 -1.949) 16.634 8.421 ( 10.668 -5.857 6.001) 13.569 9.048 ( -8.482 2.192 -0.023) 8.761 9.438 ( -2.375 1.722 -6.723) 7.335 9.582 ( -8.386 4.020 -0.286) 9.304 10.324 ( 27.829 6.439 -2.880) 28.709 10.429 ( 20.641 2.035 -4.762) 21.281 11.397 ( 9.374 -2.705 2.469) 10.064 11.643 ( -1.394 0.870 -1.790) 2.430 11.937 ( -2.415 4.732 -2.604) 5.917 12.183 ( 18.235 4.264 -3.060) 18.975 12.318 ( -0.180 -0.980 2.849) 3.019 12.509 ( -4.908 6.275 -0.627) 7.990 13.738 ( -0.262 -1.640 1.558) 2.277 14.264 ( 2.124 -4.090 -4.603) 6.513 15.292 ( 5.056 -0.304 4.269) 6.624 15.401 ( 2.551 1.410 5.127) 5.897 15.850 ( -2.254 -1.718 -3.710) 4.669 16.184 ( -6.693 0.962 -4.820) 8.304 16.420 ( 0.114 0.838 1.022) 1.327 16.528 ( 0.848 0.464 1.701) 1.957 21.293 ( 3.272 -1.787 1.405) 3.984 21.328 ( -6.491 -1.420 -0.924) 6.709 22.118 ( 0.431 -3.279 1.752) 3.742 22.249 ( -2.909 -1.371 -0.554) 3.263 22.434 ( -4.292 1.766 2.048) 5.073 22.558 ( -6.060 1.196 1.040) 6.264 22.958 ( -0.556 -2.379 -0.685) 2.538 23.174 ( -1.945 0.219 -1.464) 2.444 23.186 ( 4.479 1.412 -0.662) 4.743 23.326 ( 3.286 1.059 -0.411) 3.477 23.674 ( -0.992 -0.690 2.597) 2.864 23.919 ( 0.277 -0.185 1.953) 1.981 24.029 ( -1.415 0.236 -0.889) 1.688 24.054 ( -0.270 0.041 0.552) 0.616 24.131 ( -0.114 -0.648 -1.776) 1.894 24.176 ( -0.824 -0.096 -0.882) 1.211 24.831 ( 2.205 0.122 1.107) 2.470 24.898 ( -2.270 -0.342 -0.541) 2.358 46.350 ( -13.537 -15.732 10.256) 23.151 46.510 ( -4.959 -17.230 13.852) 22.657 47.116 ( -31.505 -7.891 1.756) 32.526 47.281 ( -24.487 -5.853 0.618) 25.185 47.958 ( -32.230 1.363 1.890) 32.315 49.042 ( -8.733 2.864 -4.030) 10.035 53.749 ( 15.313 -2.721 2.902) 15.822 54.310 ( 11.345 4.352 7.343) 14.198 54.325 ( 12.523 -6.059 -6.399) 15.313 54.625 ( 0.188 4.213 -1.096) 4.357 54.780 ( 1.628 3.741 -1.876) 4.490 55.014 ( -3.737 5.479 -2.400) 7.053 ======================= Grid point 115 (45/85) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -16.750 -4.687 34.218) 38.385 2.388 ( -24.712 -2.421 5.367) 25.403 3.555 ( -5.383 -5.569 -9.776) 12.472 3.849 ( -11.161 -1.279 0.041) 11.234 4.209 ( 13.006 -10.517 3.219) 17.033 4.366 ( 9.641 -3.252 16.133) 19.074 4.616 ( 0.248 5.820 -10.547) 12.049 5.381 ( -0.693 4.074 -17.772) 18.247 5.633 ( -10.424 1.679 0.844) 10.592 5.995 ( -1.660 -2.172 6.244) 6.816 6.139 ( 2.541 -1.605 0.301) 3.021 6.245 ( 1.596 -0.206 -0.993) 1.891 6.515 ( -6.379 1.572 -6.832) 9.478 6.666 ( 1.171 -1.367 0.663) 1.918 7.097 ( -2.951 -3.940 8.516) 9.836 7.612 ( -13.610 -3.335 -2.640) 14.259 8.586 ( 10.583 -6.195 3.776) 12.831 8.833 ( -5.546 -4.780 -10.868) 13.104 9.361 ( -10.500 8.543 1.452) 13.614 9.681 ( -3.507 14.711 12.677) 19.734 10.644 ( 22.756 1.618 -8.497) 24.344 10.721 ( 24.032 4.638 -4.663) 24.916 11.534 ( 7.561 -1.949 2.176) 8.105 11.603 ( 0.097 1.646 -3.845) 4.184 11.922 ( -3.161 4.796 -0.482) 5.764 12.301 ( -4.971 -3.228 3.998) 7.150 12.416 ( 14.155 0.700 -7.310) 15.946 12.497 ( 2.778 4.311 -0.667) 5.172 13.749 ( -0.345 -0.291 2.527) 2.567 14.173 ( 0.241 -1.633 -10.273) 10.405 15.416 ( 5.061 -0.655 5.614) 7.587 15.523 ( 3.494 -0.698 8.443) 9.164 15.756 ( -2.759 0.418 -5.542) 6.204 16.017 ( -7.472 0.244 -7.839) 10.832 16.458 ( 0.440 1.371 3.233) 3.539 16.597 ( 3.380 0.977 4.416) 5.647 21.219 ( -6.694 -0.244 -0.522) 6.719 21.345 ( 4.149 -1.652 0.965) 4.569 22.109 ( -1.402 -1.994 1.148) 2.694 22.197 ( -0.426 -1.677 -1.277) 2.151 22.396 ( -5.433 -1.162 2.427) 6.063 22.491 ( -4.942 -0.219 0.713) 4.998 22.936 ( -1.467 0.125 0.837) 1.694 23.124 ( -4.218 0.446 0.081) 4.242 23.252 ( 5.368 1.811 -2.246) 6.094 23.376 ( 4.121 0.020 -0.918) 4.222 23.696 ( -1.217 -0.296 4.423) 4.597 23.946 ( -0.162 -0.399 2.991) 3.022 24.002 ( -0.869 0.095 -1.100) 1.405 24.046 ( -0.824 -0.742 0.208) 1.128 24.096 ( -1.021 -0.014 -2.422) 2.629 24.151 ( -0.440 -0.190 -1.963) 2.021 24.854 ( -2.800 -0.074 -0.771) 2.905 24.875 ( 2.538 -0.322 0.901) 2.712 46.077 ( -23.377 -13.054 7.140) 27.710 46.413 ( -14.153 -13.574 9.340) 21.721 46.584 ( -26.244 -13.337 0.431) 29.442 46.896 ( -10.616 -16.842 -4.711) 20.459 47.673 ( -30.390 8.680 16.487) 35.647 48.905 ( -6.315 3.314 -4.103) 8.227 53.960 ( 12.796 -1.523 1.011) 12.926 54.336 ( 9.872 -5.864 -8.428) 14.243 54.564 ( 3.629 6.155 2.720) 7.645 54.632 ( 2.181 4.082 -0.022) 4.628 54.858 ( 4.625 1.547 3.117) 5.788 54.968 ( -4.132 4.507 -2.559) 6.628 ======================= Grid point 116 (46/85) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -25.761 4.781 9.932) 28.021 2.271 ( -24.218 -2.938 28.491) 37.508 3.206 ( -25.044 -6.571 7.734) 27.022 3.837 ( 8.368 -3.281 -1.126) 9.059 4.251 ( 16.086 -17.918 -11.653) 26.751 4.579 ( 7.310 2.442 -0.903) 7.760 4.770 ( 9.698 13.300 8.349) 18.457 5.260 ( 3.576 6.247 -12.811) 14.695 5.557 ( -8.380 2.068 6.849) 11.019 5.992 ( -2.582 -3.005 0.115) 3.964 6.147 ( 0.956 -4.278 2.658) 5.126 6.254 ( 2.588 -3.384 -1.110) 4.403 6.353 ( -7.846 2.150 -4.850) 9.471 6.684 ( 2.957 -4.306 -0.167) 5.226 7.079 ( -8.642 0.947 4.491) 9.785 7.385 ( -9.010 -10.375 2.813) 14.026 8.512 ( -4.506 -5.886 -8.522) 11.295 8.830 ( 14.376 -4.070 -1.137) 14.984 9.324 ( -15.178 13.973 6.872) 21.744 9.887 ( -5.382 15.280 11.162) 19.673 10.845 ( 19.958 1.300 -10.759) 22.710 10.971 ( 19.503 0.093 -9.001) 21.480 11.524 ( -1.302 2.550 -5.310) 6.033 11.675 ( 7.320 -1.781 0.322) 7.541 11.911 ( -3.974 4.428 1.145) 6.059 12.214 ( -8.244 -3.703 2.559) 9.393 12.399 ( 1.392 -5.267 -4.019) 6.770 12.621 ( 11.114 3.729 -9.548) 15.119 13.787 ( -0.051 0.739 4.663) 4.721 14.034 ( -1.491 0.569 -10.264) 10.387 15.527 ( 1.591 -0.103 3.033) 3.426 15.634 ( 2.420 -0.564 -0.974) 2.669 15.704 ( 0.090 -0.752 6.236) 6.282 15.826 ( -5.627 0.554 -7.765) 9.605 16.516 ( 0.228 1.399 3.732) 3.992 16.728 ( 7.514 0.664 3.142) 8.171 21.138 ( -5.323 0.888 0.805) 5.457 21.401 ( 4.509 -1.940 0.843) 4.981 22.079 ( -2.095 -0.139 0.316) 2.124 22.188 ( 1.432 -1.709 -0.283) 2.248 22.325 ( -5.980 -1.356 2.006) 6.452 22.445 ( -2.194 -2.542 1.644) 3.738 22.935 ( -2.397 2.491 1.769) 3.884 23.070 ( -5.067 0.289 1.200) 5.216 23.311 ( 5.154 1.683 -2.893) 6.145 23.413 ( 3.567 -1.018 -1.558) 4.024 23.729 ( -1.671 -0.111 5.108) 5.376 23.968 ( 0.095 -0.422 0.197) 0.475 23.988 ( 0.084 0.027 0.714) 0.719 24.033 ( -1.064 -0.462 1.090) 1.592 24.057 ( -1.478 0.265 -0.881) 1.741 24.112 ( -0.652 -0.576 -3.086) 3.206 24.804 ( -2.992 0.355 -0.960) 3.163 24.915 ( 2.547 -0.630 0.648) 2.703 45.710 ( -24.029 -8.698 6.293) 26.318 46.042 ( -25.213 -0.275 2.563) 25.344 46.418 ( -0.528 -18.911 12.282) 22.555 46.668 ( -0.751 -23.296 6.549) 24.211 47.593 ( -25.917 11.321 22.990) 36.447 48.838 ( -3.365 4.388 -2.218) 5.958 54.075 ( 7.956 -0.779 -4.476) 9.162 54.312 ( 7.503 -5.063 -9.650) 13.231 54.573 ( -2.408 8.694 -3.374) 9.632 54.757 ( 4.218 -0.479 2.314) 4.835 54.895 ( -4.038 4.439 -2.370) 6.452 54.992 ( 2.807 1.232 3.791) 4.876 ======================= Grid point 121 (47/85) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -0.000 -12.407 3.905) 13.007 2.852 ( 0.000 -4.229 0.266) 4.237 3.251 ( -0.000 10.382 19.848) 22.399 3.613 ( 0.000 -8.325 -2.475) 8.685 4.336 ( 0.000 -23.533 0.598) 23.541 4.880 ( -0.000 8.155 1.988) 8.394 5.025 ( 0.000 0.450 -1.945) 1.996 5.680 ( -0.000 -4.603 1.801) 4.943 5.930 ( -0.000 2.613 0.760) 2.721 5.972 ( 0.000 -1.199 -1.321) 1.784 6.007 ( -0.000 0.268 0.720) 0.768 6.580 ( 0.000 3.025 -5.017) 5.858 6.596 ( -0.000 4.944 1.916) 5.302 6.773 ( -0.000 -2.068 9.228) 9.457 6.827 ( 0.000 -4.974 -2.712) 5.665 7.980 ( 0.000 -2.895 -4.777) 5.586 8.384 ( -0.000 18.801 9.201) 20.932 9.141 ( -0.000 6.443 -0.204) 6.446 9.379 ( -0.000 7.554 5.661) 9.440 9.542 ( 0.000 7.577 -2.161) 7.879 9.982 ( 0.000 -12.264 -18.328) 22.052 10.016 ( 0.000 -8.061 -9.525) 12.479 11.162 ( -0.000 -4.058 1.328) 4.269 11.694 ( 0.000 0.562 -0.946) 1.100 11.757 ( 0.000 1.121 -2.661) 2.887 12.035 ( 0.000 2.669 -4.148) 4.933 12.235 ( -0.000 5.471 0.339) 5.482 12.579 ( 0.000 10.845 -1.195) 10.911 13.749 ( -0.000 -4.185 1.444) 4.427 14.261 ( -0.000 -7.721 2.361) 8.074 15.137 ( -0.000 0.699 1.775) 1.908 15.286 ( -0.000 3.299 2.214) 3.973 15.945 ( 0.000 -4.193 -1.461) 4.440 16.370 ( 0.000 2.044 -1.098) 2.320 16.422 ( 0.000 0.779 -2.670) 2.781 16.515 ( 0.000 -0.069 -1.021) 1.023 21.223 ( -0.000 -3.311 2.231) 3.993 21.507 ( 0.000 -2.253 -0.719) 2.365 22.102 ( -0.000 -3.493 2.070) 4.061 22.358 ( -0.000 -0.610 1.060) 1.223 22.483 ( -0.000 6.276 2.968) 6.943 22.670 ( -0.000 2.924 0.758) 3.021 22.965 ( -0.000 -1.851 0.300) 1.875 23.096 ( 0.000 -3.409 -2.451) 4.198 23.156 ( -0.000 0.818 0.519) 0.969 23.312 ( 0.000 1.838 -1.412) 2.317 23.695 ( 0.000 -1.886 0.004) 1.886 23.889 ( -0.000 0.465 0.082) 0.472 24.029 ( -0.000 1.472 2.064) 2.535 24.076 ( 0.000 0.707 -0.576) 0.912 24.145 ( 0.000 -1.385 -0.886) 1.645 24.203 ( -0.000 -0.245 0.401) 0.470 24.764 ( -0.000 0.541 1.476) 1.572 24.956 ( 0.000 -0.293 -0.462) 0.547 46.535 ( -0.000 -15.033 15.778) 21.793 46.597 ( -0.000 -15.791 14.967) 21.757 47.819 ( -0.000 0.118 8.290) 8.291 48.034 ( -0.000 -5.581 4.927) 7.445 48.725 ( -0.000 5.189 3.129) 6.059 49.239 ( -0.000 9.263 10.019) 13.645 53.394 ( 0.000 -8.933 -5.149) 10.311 53.851 ( -0.000 -1.389 0.782) 1.594 54.103 ( 0.000 -3.663 -1.909) 4.131 54.532 ( -0.000 2.374 0.125) 2.377 54.784 ( 0.000 7.406 -3.544) 8.211 55.067 ( 0.000 8.218 -2.089) 8.479 ======================= Grid point 122 (48/85) ======================= q-point: (-0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 3.889 -9.484 17.359) 20.159 2.842 ( -0.671 -4.960 5.184) 7.206 3.473 ( -5.899 1.600 1.853) 6.387 3.618 ( 6.389 6.061 12.543) 15.326 4.125 ( 2.543 -30.949 1.700) 31.099 4.856 ( -10.659 4.582 -2.883) 11.955 4.955 ( -5.360 3.574 -8.740) 10.858 5.613 ( -1.329 -4.237 -6.601) 7.955 5.940 ( -2.840 1.276 0.574) 3.166 5.982 ( 1.308 0.464 0.740) 1.573 5.988 ( 0.079 0.215 -1.066) 1.090 6.496 ( -6.272 1.447 -4.944) 8.116 6.621 ( -0.391 1.329 -2.642) 2.983 6.712 ( -4.603 0.572 2.117) 5.099 6.939 ( 6.778 -4.834 7.424) 11.155 7.949 ( 4.385 1.599 -5.491) 7.207 8.484 ( -12.077 6.302 6.535) 15.109 9.185 ( -0.006 1.527 -1.925) 2.458 9.502 ( -2.341 12.196 4.861) 13.337 9.706 ( 4.127 8.427 0.644) 9.405 9.745 ( 9.400 -4.328 -10.057) 14.430 9.923 ( 9.684 -5.173 -5.657) 12.351 11.190 ( 4.421 -3.361 3.292) 6.456 11.684 ( -1.111 0.660 -0.508) 1.388 11.794 ( 7.326 2.212 -2.177) 7.956 12.014 ( -1.427 4.909 -2.679) 5.772 12.285 ( 1.391 2.623 0.966) 3.122 12.625 ( -2.426 8.656 -1.994) 9.208 13.742 ( -0.043 -3.536 2.904) 4.576 14.212 ( 1.186 -6.716 -2.163) 7.155 15.190 ( 1.999 -0.345 4.731) 5.148 15.352 ( 0.917 1.283 5.092) 5.331 15.889 ( -0.611 -2.127 -3.153) 3.853 16.325 ( -3.027 1.953 -5.490) 6.567 16.420 ( 0.059 1.383 0.427) 1.448 16.513 ( 0.262 0.422 0.323) 0.593 21.227 ( 1.314 -3.178 1.563) 3.777 21.464 ( -2.767 -1.304 -0.980) 3.212 22.101 ( 0.433 -3.473 2.001) 4.032 22.340 ( -2.587 -0.854 0.007) 2.724 22.533 ( -2.256 3.137 1.733) 4.234 22.677 ( -2.060 1.918 -0.526) 2.863 22.955 ( 0.535 -1.835 -0.061) 1.913 23.067 ( 2.071 -1.296 -1.646) 2.946 23.174 ( 1.787 0.429 -0.145) 1.843 23.308 ( -0.898 1.857 -0.952) 2.272 23.695 ( -0.463 -1.212 2.792) 3.078 23.907 ( 0.380 0.151 2.029) 2.070 24.051 ( -0.008 0.219 -0.050) 0.225 24.067 ( -0.880 0.727 -0.545) 1.265 24.122 ( 0.529 -0.711 -1.993) 2.182 24.195 ( -0.411 -0.310 -0.862) 1.004 24.788 ( 0.820 -0.223 1.441) 1.673 24.943 ( -0.851 -0.049 -0.555) 1.017 46.546 ( -2.561 -17.705 12.066) 21.578 46.597 ( -1.702 -17.527 11.537) 21.052 47.753 ( -13.282 -5.303 0.799) 14.324 47.922 ( -14.669 -5.288 0.403) 15.598 48.666 ( -14.746 2.055 0.099) 14.889 49.255 ( -5.552 1.804 -7.387) 9.415 53.407 ( 7.390 -3.494 6.670) 10.550 53.934 ( 9.854 -0.873 3.017) 10.343 54.101 ( 4.821 -1.863 -0.743) 5.222 54.570 ( 1.873 1.640 1.355) 2.835 54.795 ( -0.968 6.678 -3.668) 7.680 55.090 ( -1.510 6.437 -2.556) 7.089 ======================= Grid point 123 (49/85) ======================= q-point: (-0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 4.090 -7.328 26.436) 27.736 2.857 ( -7.915 -0.468 10.689) 13.309 3.388 ( -2.939 0.635 -4.415) 5.341 3.788 ( 10.206 -20.263 -2.007) 22.777 4.135 ( 6.388 -2.246 19.301) 20.454 4.608 ( -20.652 0.103 -4.740) 21.189 4.743 ( -6.744 1.911 -15.320) 16.847 5.431 ( -3.192 -0.167 -15.551) 15.876 5.874 ( -6.385 -0.287 1.133) 6.491 6.001 ( 2.902 -0.806 -1.749) 3.483 6.045 ( 2.831 1.065 3.274) 4.458 6.340 ( -8.084 -0.449 -3.723) 8.911 6.583 ( -0.326 -0.900 -3.137) 3.280 6.683 ( -2.142 2.222 -2.402) 3.911 7.086 ( 4.073 -4.614 11.632) 13.160 7.931 ( -2.290 4.562 -10.213) 11.418 8.392 ( -5.919 -7.672 7.130) 12.030 9.038 ( -7.318 -5.690 -11.385) 14.682 9.588 ( -2.196 10.504 8.419) 13.640 9.802 ( -4.534 11.590 8.749) 15.213 9.958 ( 20.033 5.413 -4.403) 21.213 10.099 ( 21.582 3.030 -4.556) 22.265 11.297 ( 7.360 -2.332 4.613) 8.994 11.655 ( -2.327 1.090 -1.855) 3.169 11.931 ( 10.433 3.576 -1.327) 11.108 12.022 ( 0.595 5.721 -1.443) 5.930 12.335 ( 1.402 -0.397 2.597) 2.978 12.600 ( -4.482 3.978 -2.804) 6.616 13.756 ( -0.175 -2.129 3.779) 4.341 14.138 ( 1.584 -4.071 -6.647) 7.954 15.289 ( 3.569 -1.299 6.873) 7.853 15.447 ( 1.930 -0.855 8.028) 8.301 15.820 ( -1.575 0.160 -5.168) 5.405 16.198 ( -5.096 1.414 -9.121) 10.544 16.455 ( -0.077 2.122 3.169) 3.814 16.538 ( 1.186 0.889 1.377) 2.023 21.245 ( 2.755 -2.856 0.982) 4.088 21.391 ( -5.053 -0.111 -1.110) 5.175 22.104 ( 0.728 -3.123 1.917) 3.736 22.276 ( -3.955 -1.209 -1.488) 4.395 22.518 ( -3.497 -0.314 1.386) 3.774 22.627 ( -3.686 -1.040 -1.669) 4.178 22.961 ( -0.259 0.926 1.582) 1.851 23.082 ( 3.945 -0.115 -2.871) 4.881 23.210 ( 1.934 0.866 0.829) 2.276 23.298 ( -0.427 1.283 -1.095) 1.740 23.724 ( -0.777 -0.511 4.872) 4.960 23.943 ( 0.286 -0.121 3.339) 3.353 24.021 ( -0.500 -1.138 -2.925) 3.178 24.062 ( -0.432 0.156 -0.026) 0.460 24.106 ( 0.254 0.500 -1.954) 2.033 24.168 ( -0.701 -0.326 -2.009) 2.152 24.816 ( 1.579 -0.883 1.275) 2.213 24.918 ( -1.713 0.202 -0.718) 1.868 46.452 ( -5.791 -19.406 8.803) 22.082 46.549 ( -1.642 -19.019 10.086) 21.590 47.399 ( -23.498 -9.424 -7.095) 26.293 47.508 ( -28.219 -9.971 -10.211) 31.623 48.452 ( -22.343 4.539 7.316) 23.945 49.037 ( -2.789 -3.726 -14.929) 15.637 53.631 ( 9.448 0.749 10.707) 14.299 54.061 ( 9.224 -4.358 -3.868) 10.910 54.255 ( 12.264 3.208 6.672) 14.325 54.642 ( 2.791 1.919 2.805) 4.397 54.783 ( -1.063 5.222 -3.397) 6.320 55.072 ( -2.841 4.812 -3.109) 6.395 ======================= Grid point 124 (50/85) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -2.797 -7.170 21.107) 22.467 2.830 ( -19.593 3.709 16.247) 25.722 3.323 ( 1.762 -1.599 -4.750) 5.313 3.715 ( 15.598 -26.905 -5.909) 31.656 4.240 ( -21.650 -0.812 -1.257) 21.702 4.480 ( 1.840 -1.510 5.525) 6.016 4.541 ( 4.227 11.394 -1.830) 12.290 5.212 ( -1.017 5.203 -19.815) 20.512 5.805 ( -7.921 -0.228 4.793) 9.261 6.000 ( 2.408 -3.039 -3.094) 4.960 6.122 ( 1.264 0.062 3.222) 3.461 6.217 ( -2.648 -0.894 -2.833) 3.979 6.534 ( -1.900 -1.324 -1.274) 2.644 6.624 ( -1.266 -0.835 -4.182) 4.449 7.224 ( 0.112 -4.529 13.371) 14.118 7.691 ( -12.021 -2.425 -11.873) 17.069 8.430 ( 7.878 -8.540 5.972) 13.064 8.734 ( -8.830 -5.397 -11.956) 15.813 9.732 ( -11.603 16.218 13.209) 23.919 10.008 ( 0.157 15.007 12.094) 19.275 10.194 ( 21.258 1.528 -9.002) 23.136 10.385 ( 22.148 4.823 -6.337) 23.536 11.443 ( 7.948 -1.626 4.458) 9.257 11.597 ( -3.084 2.006 -3.702) 5.219 12.018 ( -2.951 6.606 1.840) 7.466 12.139 ( 13.932 1.428 -4.589) 14.738 12.369 ( -0.688 -2.717 4.264) 5.103 12.512 ( -4.083 -0.673 -3.375) 5.340 13.790 ( -0.182 -0.425 4.681) 4.704 14.042 ( 0.766 -1.057 -9.399) 9.489 15.418 ( 4.466 -1.583 7.962) 9.265 15.566 ( 2.515 -2.712 8.721) 9.473 15.738 ( -2.012 1.982 -5.199) 5.917 16.011 ( -6.347 0.949 -11.103) 12.824 16.517 ( -0.272 2.703 4.361) 5.138 16.590 ( 3.018 1.014 1.165) 3.390 21.278 ( 3.987 -2.785 0.554) 4.895 21.304 ( -6.118 1.079 -0.849) 6.270 22.114 ( 0.683 -2.350 1.891) 3.093 22.191 ( -3.247 -0.989 -2.344) 4.125 22.473 ( -3.747 -2.479 1.783) 4.834 22.534 ( -4.004 -3.302 -1.588) 5.427 22.991 ( -1.506 3.200 2.709) 4.455 23.101 ( 3.926 -0.146 -3.359) 5.169 23.246 ( -1.124 2.384 1.576) 3.071 23.303 ( 3.265 -0.459 -1.638) 3.681 23.770 ( -1.199 -0.100 5.814) 5.937 23.963 ( 0.145 -1.304 -3.779) 4.000 23.988 ( 0.060 -0.277 3.171) 3.184 24.056 ( -0.518 -0.218 0.365) 0.670 24.088 ( -0.481 0.471 -1.606) 1.742 24.127 ( -0.674 -0.348 -2.987) 3.081 24.846 ( 2.220 -1.296 1.067) 2.784 24.883 ( -2.470 0.551 -0.886) 2.681 46.296 ( -9.653 -17.981 8.901) 22.265 46.471 ( -3.079 -19.663 7.975) 21.441 46.835 ( -22.325 -16.340 -15.089) 31.513 46.878 ( -28.759 -8.763 -8.558) 31.259 48.319 ( -23.083 7.546 15.894) 29.023 48.842 ( 3.173 -5.029 -13.169) 14.450 53.860 ( 6.665 1.947 6.640) 9.607 54.081 ( 7.491 -3.373 -6.458) 10.450 54.529 ( 11.477 2.218 5.805) 13.051 54.681 ( -3.363 5.796 -2.138) 7.033 54.840 ( 5.838 1.254 4.333) 7.378 55.023 ( -3.594 4.190 -3.722) 6.658 ======================= Grid point 125 (51/85) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -22.748 5.468 6.966) 24.411 2.821 ( -10.062 -10.129 19.341) 24.040 3.234 ( -6.424 -1.417 -5.707) 8.709 3.654 ( 17.545 -18.947 -13.600) 29.185 4.075 ( -12.685 2.966 12.803) 18.265 4.399 ( 8.899 -3.283 -9.845) 13.671 4.902 ( 6.526 11.783 14.893) 20.080 5.087 ( 6.374 8.850 -15.218) 18.722 5.761 ( -8.262 -0.999 7.759) 11.378 5.935 ( 1.288 -7.487 -5.505) 9.382 6.142 ( -1.408 0.314 1.616) 2.166 6.194 ( 2.331 -1.709 -0.657) 2.965 6.453 ( -8.206 0.503 0.051) 8.221 6.578 ( 3.799 -6.002 -2.156) 7.423 7.282 ( -9.142 -0.700 6.913) 11.483 7.412 ( -3.936 -8.947 -2.261) 10.033 8.459 ( -7.538 -2.094 -7.544) 10.868 8.565 ( 11.771 -8.287 1.252) 14.450 9.823 ( -17.568 19.442 13.046) 29.271 10.241 ( -6.644 16.892 11.903) 21.706 10.371 ( 24.036 -2.507 -14.718) 28.296 10.613 ( 19.291 1.963 -9.712) 21.687 11.522 ( -3.007 3.161 -3.851) 5.819 11.575 ( 6.225 -2.005 1.862) 6.799 12.042 ( -5.061 6.004 3.545) 8.615 12.219 ( 5.627 -3.293 -6.679) 9.334 12.345 ( -5.557 -1.710 3.344) 6.707 12.458 ( 4.405 -2.549 -3.454) 6.150 13.856 ( 0.344 0.956 6.697) 6.774 13.942 ( 0.076 0.888 -8.651) 8.697 15.547 ( 0.918 0.100 3.628) 3.743 15.584 ( 0.595 0.248 -3.425) 3.485 15.766 ( 1.966 -2.389 9.001) 9.518 15.809 ( -4.744 0.711 -8.934) 10.141 16.577 ( -0.817 2.636 3.379) 4.363 16.654 ( 4.896 0.388 -1.351) 5.094 21.230 ( -5.473 2.007 0.174) 5.832 21.322 ( 4.890 -3.068 0.400) 5.786 22.112 ( -2.152 0.265 0.264) 2.185 22.149 ( 1.644 -1.633 -0.258) 2.332 22.408 ( -5.380 -2.581 1.181) 6.083 22.452 ( -1.285 -4.825 0.247) 4.999 23.024 ( -2.586 4.180 2.794) 5.654 23.109 ( 1.367 -0.195 -1.596) 2.111 23.261 ( -0.274 2.537 0.027) 2.551 23.331 ( 3.912 -1.641 -1.713) 4.575 23.816 ( -1.763 0.164 5.853) 6.115 23.907 ( 1.081 -1.038 -5.507) 5.707 24.027 ( -0.225 -0.095 3.886) 3.894 24.056 ( -0.257 -0.056 0.603) 0.657 24.068 ( -0.643 -0.222 -0.264) 0.730 24.078 ( -0.653 -0.458 -3.335) 3.430 24.841 ( -2.974 0.983 -0.919) 3.264 24.880 ( 2.573 -1.445 0.808) 3.060 46.035 ( -23.331 -7.976 4.110) 24.996 46.283 ( -4.338 -16.807 -3.608) 17.729 46.380 ( -14.165 -8.574 2.735) 16.782 46.552 ( 2.223 -22.139 6.364) 23.143 48.282 ( -22.236 9.060 20.938) 31.858 48.741 ( 7.623 -5.632 -11.193) 14.667 53.981 ( 2.263 2.257 0.956) 3.336 54.079 ( 6.459 -1.974 -7.166) 9.847 54.644 ( -3.605 7.116 -3.134) 8.570 54.710 ( 6.044 -0.412 2.571) 6.581 54.956 ( -3.402 4.492 -2.693) 6.246 54.992 ( 4.258 0.334 3.496) 5.519 ======================= Grid point 131 (52/85) ======================= q-point: (-0.44 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -0.000 -10.961 19.265) 22.165 2.957 ( -0.000 1.651 16.216) 16.300 3.524 ( -0.000 -0.711 0.636) 0.954 3.628 ( 0.000 -16.809 -3.957) 17.268 4.032 ( -0.000 -6.447 19.431) 20.473 4.854 ( 0.000 1.290 -18.296) 18.341 4.904 ( 0.000 1.580 -7.288) 7.457 5.505 ( 0.000 -3.528 -9.573) 10.203 5.924 ( 0.000 -0.632 -5.970) 6.003 5.981 ( -0.000 -0.071 0.022) 0.074 6.003 ( -0.000 0.729 3.035) 3.121 6.468 ( 0.000 3.302 -8.129) 8.774 6.581 ( 0.000 -1.047 -4.506) 4.626 6.849 ( -0.000 2.027 4.254) 4.712 6.901 ( -0.000 -6.357 8.341) 10.487 7.872 ( 0.000 1.652 -3.526) 3.894 8.654 ( -0.000 -0.761 1.180) 1.404 9.175 ( 0.000 2.057 -3.192) 3.797 9.440 ( 0.000 -9.081 -12.016) 15.062 9.667 ( 0.000 2.040 -3.002) 3.630 9.820 ( -0.000 19.514 12.929) 23.408 9.877 ( -0.000 8.703 5.781) 10.448 11.186 ( -0.000 -2.572 5.497) 6.069 11.706 ( -0.000 1.234 0.995) 1.585 11.736 ( 0.000 2.819 -2.043) 3.482 12.047 ( 0.000 5.893 -0.667) 5.931 12.303 ( -0.000 1.550 0.969) 1.828 12.667 ( 0.000 5.392 -3.751) 6.568 13.758 ( -0.000 -3.337 4.793) 5.841 14.113 ( 0.000 -5.283 -5.145) 7.374 15.237 ( -0.000 -1.442 7.222) 7.365 15.420 ( -0.000 -0.988 7.858) 7.920 15.841 ( 0.000 0.021 -4.766) 4.766 16.273 ( 0.000 1.729 -9.780) 9.932 16.456 ( -0.000 2.637 3.072) 4.049 16.522 ( -0.000 0.904 0.593) 1.081 21.205 ( -0.000 -3.347 1.022) 3.499 21.466 ( 0.000 -0.121 -1.083) 1.090 22.093 ( -0.000 -3.225 1.943) 3.765 22.348 ( 0.000 -1.210 -0.821) 1.462 22.570 ( 0.000 -0.327 -0.058) 0.332 22.672 ( 0.000 -0.407 -3.569) 3.592 22.957 ( -0.000 0.001 1.919) 1.919 23.034 ( 0.000 0.666 -0.780) 1.026 23.155 ( 0.000 -0.190 -0.708) 0.733 23.322 ( 0.000 2.077 -0.513) 2.139 23.736 ( -0.000 -0.722 5.028) 5.080 23.937 ( -0.000 0.064 3.546) 3.546 24.028 ( 0.000 -1.973 -3.033) 3.618 24.071 ( 0.000 0.663 -0.839) 1.069 24.096 ( 0.000 0.944 -1.648) 1.900 24.179 ( 0.000 -0.422 -1.938) 1.984 24.793 ( -0.000 -1.122 1.404) 1.797 24.943 ( 0.000 0.318 -0.705) 0.774 46.532 ( -0.000 -20.178 8.826) 22.024 46.558 ( -0.000 -19.905 6.668) 20.992 47.778 ( 0.000 -7.054 -4.413) 8.321 47.952 ( 0.000 -7.272 -5.074) 8.868 48.766 ( 0.000 -0.948 -1.936) 2.156 49.073 ( 0.000 -6.981 -25.289) 26.235 53.499 ( -0.000 2.159 17.793) 17.924 53.899 ( -0.000 -0.979 5.030) 5.125 54.063 ( -0.000 0.689 0.665) 0.957 54.584 ( -0.000 0.439 2.260) 2.302 54.813 ( 0.000 6.091 -3.623) 7.087 55.112 ( 0.000 4.862 -3.387) 5.925 ======================= Grid point 132 (53/85) ======================= q-point: (-0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 9.972 -12.500 10.793) 19.292 3.197 ( -5.685 8.269 22.144) 24.312 3.386 ( 6.329 -29.749 -7.519) 31.330 3.506 ( -8.024 0.380 7.503) 10.992 4.312 ( 4.651 4.182 19.007) 20.010 4.567 ( -2.274 -3.158 -23.532) 23.851 4.760 ( -9.912 1.999 -8.094) 12.952 5.317 ( -5.254 -0.057 -14.547) 15.467 5.846 ( 4.015 -4.191 -7.534) 9.511 5.989 ( -1.664 2.098 2.055) 3.375 6.057 ( 1.833 -0.278 3.570) 4.023 6.371 ( -4.789 2.159 -7.027) 8.774 6.521 ( 0.625 -1.836 -4.617) 5.008 6.774 ( -8.933 -0.012 1.869) 9.126 7.067 ( 9.927 -5.304 7.710) 13.642 7.853 ( -0.311 1.560 -6.184) 6.386 8.525 ( -10.879 -9.477 3.067) 14.750 9.029 ( -11.137 -0.444 -7.870) 13.644 9.415 ( 18.574 -5.520 -6.533) 20.449 9.782 ( 17.987 2.209 -3.908) 18.539 10.049 ( -5.267 16.968 11.530) 21.180 10.139 ( -1.269 20.916 13.891) 25.141 11.267 ( 3.859 -1.779 6.696) 7.930 11.690 ( -3.213 2.210 -0.922) 4.007 11.812 ( 7.406 2.723 -0.220) 7.894 12.097 ( -1.439 7.175 2.124) 7.620 12.333 ( 1.602 -0.755 1.690) 2.448 12.626 ( -2.473 0.862 -4.703) 5.383 13.796 ( -0.168 -2.336 5.973) 6.415 14.016 ( 0.727 -2.632 -7.277) 7.772 15.326 ( 1.816 -2.305 8.788) 9.265 15.513 ( 1.058 -3.056 10.077) 10.583 15.780 ( -0.819 2.036 -6.384) 6.751 16.140 ( -2.577 1.625 -12.545) 12.910 16.526 ( -0.262 3.794 4.707) 6.051 16.540 ( 0.808 1.214 0.035) 1.458 21.198 ( 1.572 -3.282 0.492) 3.672 21.437 ( -2.801 1.053 -1.192) 3.221 22.093 ( 0.455 -2.857 1.776) 3.394 22.299 ( -3.205 -1.352 -1.815) 3.923 22.538 ( -0.980 -3.984 -0.743) 4.170 22.608 ( -0.845 -1.880 -4.315) 4.782 22.976 ( 1.432 -0.878 0.104) 1.683 23.057 ( -0.864 4.099 1.501) 4.450 23.165 ( 3.312 -0.679 -0.764) 3.466 23.330 ( -1.374 2.449 0.387) 2.835 23.793 ( -0.442 -0.220 6.129) 6.149 23.962 ( -0.054 -2.354 -4.838) 5.381 23.984 ( 0.151 -0.133 4.194) 4.199 24.064 ( -0.126 0.316 -0.849) 0.915 24.088 ( 0.207 0.843 -1.805) 2.003 24.146 ( -0.426 -0.509 -2.754) 2.833 24.802 ( 0.853 -1.805 1.285) 2.374 24.932 ( -0.926 0.690 -0.858) 1.438 46.407 ( -2.423 -22.707 3.786) 23.147 46.470 ( 1.902 -21.359 4.755) 21.965 47.493 ( -18.651 -11.732 -12.100) 25.138 47.661 ( -19.721 -7.975 -10.883) 23.895 48.623 ( 5.059 -12.819 -19.818) 24.139 48.769 ( -3.138 -0.172 -8.888) 9.428 53.756 ( 0.474 4.434 18.355) 18.889 53.959 ( 1.051 -0.681 2.740) 3.013 54.181 ( 10.865 2.950 4.988) 12.314 54.642 ( 3.517 0.097 4.069) 5.379 54.806 ( -1.514 5.260 -3.777) 6.650 55.093 ( -1.300 3.527 -4.191) 5.630 ======================= Grid point 133 (54/85) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 15.556 -14.952 -0.011) 21.577 3.164 ( 8.028 -26.263 -13.643) 30.665 3.249 ( -13.633 4.458 5.987) 15.542 3.626 ( -11.294 3.459 29.886) 32.136 4.210 ( 3.195 -10.132 -19.241) 21.979 4.512 ( -14.134 4.087 -6.821) 16.217 4.696 ( 6.909 9.432 15.683) 19.561 5.074 ( -4.769 6.331 -17.645) 19.344 5.809 ( 6.167 -5.368 -5.508) 9.858 5.993 ( -4.933 0.971 3.002) 5.856 6.121 ( 2.378 -0.680 2.314) 3.387 6.243 ( -5.255 0.898 -3.141) 6.187 6.469 ( 2.304 -4.483 -3.118) 5.927 6.672 ( -7.524 0.341 -0.128) 7.533 7.228 ( 9.252 -8.350 6.105) 13.877 7.670 ( -9.674 -3.531 -11.178) 15.199 8.419 ( -2.744 -9.005 9.277) 13.217 8.770 ( -13.678 1.748 -6.480) 15.236 9.618 ( 26.649 -5.316 -8.525) 28.480 10.033 ( 20.738 3.734 -5.623) 21.809 10.230 ( -10.075 19.287 13.038) 25.367 10.418 ( -4.737 20.463 12.920) 24.659 11.399 ( 5.616 -1.182 6.275) 8.504 11.638 ( -4.622 3.290 -2.234) 6.097 11.944 ( 9.803 1.183 -1.533) 9.993 12.167 ( -3.509 7.343 5.453) 9.797 12.366 ( 2.350 -3.719 1.891) 4.789 12.521 ( -4.255 -1.592 -3.684) 5.849 13.853 ( -0.102 -0.849 6.895) 6.947 13.928 ( 0.744 -0.292 -7.914) 7.954 15.445 ( 3.321 -2.438 9.032) 9.928 15.607 ( 0.196 -2.983 6.014) 6.716 15.725 ( 0.136 1.833 -2.119) 2.805 15.956 ( -4.291 1.529 -13.203) 13.967 16.563 ( 1.931 1.163 -1.307) 2.605 16.605 ( -1.027 4.669 4.208) 6.369 21.207 ( 3.105 -3.384 0.044) 4.593 21.382 ( -4.780 2.043 -1.115) 5.317 22.101 ( 1.050 -2.372 1.446) 2.969 22.212 ( -4.121 -0.752 -2.128) 4.699 22.472 ( -0.522 -6.321 -1.150) 6.446 22.532 ( -2.324 -2.345 -2.336) 4.045 22.994 ( 3.783 -0.726 -1.988) 4.335 23.089 ( -1.671 3.217 2.024) 4.152 23.212 ( 4.099 0.112 -0.287) 4.110 23.333 ( -2.585 2.773 1.326) 4.017 23.854 ( -0.915 0.131 6.202) 6.271 23.886 ( 0.403 -2.019 -5.717) 6.076 24.031 ( -0.038 -0.227 4.032) 4.038 24.055 ( 0.201 -0.041 -1.145) 1.163 24.073 ( 0.119 -0.028 -1.601) 1.605 24.100 ( -0.731 -0.567 -2.783) 2.933 24.818 ( 1.696 -2.123 1.141) 2.948 24.909 ( -1.815 1.110 -0.926) 2.320 46.220 ( 0.160 -25.071 0.647) 25.080 46.382 ( 3.488 -21.486 3.921) 22.118 46.876 ( -26.835 -13.419 -15.855) 33.935 47.102 ( -28.582 -8.571 -13.011) 32.552 48.404 ( 15.914 -14.665 -23.392) 31.867 48.718 ( -6.894 3.060 6.388) 9.884 53.933 ( 0.707 1.582 6.018) 6.263 54.009 ( -2.142 4.101 6.471) 7.955 54.440 ( 12.486 1.995 5.432) 13.762 54.741 ( -1.160 3.470 0.063) 3.660 54.812 ( 5.322 1.553 2.670) 6.154 55.045 ( -2.052 3.275 -4.712) 6.094 ======================= Grid point 141 (55/85) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -0.000 -17.439 1.577) 17.510 2.976 ( 0.000 -31.766 -11.763) 33.874 3.539 ( -0.000 15.179 10.979) 18.733 3.787 ( -0.000 2.742 28.278) 28.411 4.135 ( 0.000 -17.036 -26.904) 31.844 4.580 ( -0.000 10.545 10.389) 14.803 4.753 ( 0.000 2.820 -7.111) 7.650 5.231 ( 0.000 1.378 -10.543) 10.633 5.643 ( 0.000 -4.842 -12.603) 13.502 6.050 ( -0.000 2.492 3.709) 4.469 6.069 ( -0.000 -2.783 2.803) 3.950 6.357 ( 0.000 3.366 -5.412) 6.373 6.444 ( 0.000 -2.193 -5.518) 5.938 6.905 ( 0.000 2.196 -3.259) 3.930 6.950 ( -0.000 -9.566 7.466) 12.134 7.809 ( 0.000 -2.553 -4.997) 5.611 8.572 ( -0.000 -10.883 5.562) 12.222 9.018 ( 0.000 -3.216 -8.680) 9.257 9.187 ( 0.000 0.575 -4.762) 4.796 9.607 ( 0.000 2.860 -3.690) 4.669 10.380 ( -0.000 18.046 14.450) 23.118 10.492 ( -0.000 23.036 14.348) 27.140 11.309 ( -0.000 -1.598 7.617) 7.782 11.746 ( 0.000 3.790 -2.007) 4.289 11.768 ( -0.000 1.526 1.894) 2.432 12.218 ( -0.000 8.339 6.563) 10.612 12.320 ( -0.000 -2.951 0.721) 3.038 12.581 ( 0.000 -1.248 -5.281) 5.426 13.856 ( -0.000 -2.127 7.524) 7.819 13.915 ( 0.000 -0.912 -7.135) 7.193 15.397 ( -0.000 -3.017 9.503) 9.970 15.596 ( -0.000 -4.823 11.325) 12.309 15.731 ( 0.000 3.572 -7.215) 8.051 16.019 ( 0.000 1.932 -14.238) 14.368 16.537 ( 0.000 1.388 -1.428) 1.992 16.621 ( -0.000 5.700 4.636) 7.347 21.162 ( 0.000 -3.478 -0.046) 3.478 21.455 ( 0.000 1.961 -1.315) 2.361 22.086 ( -0.000 -2.611 1.435) 2.979 22.293 ( 0.000 -1.246 -1.791) 2.182 22.474 ( 0.000 -7.487 -2.502) 7.894 22.547 ( 0.000 -0.612 -4.926) 4.964 22.950 ( 0.000 -2.134 -0.428) 2.177 23.109 ( 0.000 -2.293 -1.721) 2.867 23.147 ( -0.000 6.197 3.692) 7.214 23.370 ( -0.000 2.894 1.193) 3.130 23.866 ( -0.000 0.002 6.203) 6.203 23.881 ( 0.000 -2.449 -5.680) 6.185 24.031 ( -0.000 -0.427 4.234) 4.256 24.052 ( 0.000 0.241 -1.637) 1.655 24.070 ( 0.000 0.174 -1.911) 1.919 24.111 ( 0.000 -0.679 -2.879) 2.958 24.793 ( -0.000 -2.428 1.247) 2.729 24.935 ( 0.000 1.162 -0.934) 1.491 46.258 ( 0.000 -23.345 -2.625) 23.492 46.282 ( 0.000 -25.034 0.898) 25.050 47.415 ( 0.000 -14.184 -11.573) 18.306 47.621 ( 0.000 -6.139 -13.426) 14.763 48.026 ( 0.000 -20.754 -36.721) 42.180 48.738 ( 0.000 -1.036 -3.395) 3.549 54.034 ( -0.000 -0.879 8.119) 8.167 54.035 ( -0.000 4.789 19.442) 20.024 54.161 ( -0.000 6.772 3.174) 7.479 54.658 ( -0.000 -0.383 4.440) 4.457 54.814 ( 0.000 4.525 -3.701) 5.846 55.072 ( 0.000 2.425 -4.982) 5.541 ======================= Grid point 142 (56/85) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 10.365 -20.566 -5.808) 23.751 2.619 ( 7.242 -29.232 -17.929) 35.049 3.531 ( -12.725 -8.382 -9.701) 18.064 3.836 ( 6.350 -0.347 -8.827) 10.880 4.138 ( -5.091 6.274 30.468) 31.521 4.611 ( -5.809 4.693 -7.437) 10.539 4.782 ( 0.326 5.861 -0.553) 5.896 5.106 ( -6.203 8.036 -0.924) 10.194 5.563 ( 10.173 -4.455 -9.196) 14.419 6.047 ( -1.268 -3.958 0.447) 4.180 6.138 ( 1.610 2.621 4.538) 5.482 6.297 ( -4.751 0.643 -2.027) 5.205 6.368 ( 1.000 -3.930 -4.057) 5.736 6.780 ( -7.787 -0.505 -0.892) 7.854 7.051 ( 9.401 -7.742 1.339) 12.252 7.639 ( -7.067 -8.769 -7.896) 13.754 8.522 ( -5.286 -8.906 9.854) 14.296 8.917 ( -5.148 4.317 -6.293) 9.205 9.188 ( 11.330 -3.794 -3.368) 12.414 9.725 ( 16.205 4.219 -6.461) 17.948 10.654 ( -5.013 18.851 13.751) 23.866 10.795 ( -4.662 21.204 12.577) 25.090 11.407 ( 3.181 -1.100 7.316) 8.054 11.715 ( -4.272 4.190 -1.357) 6.136 11.841 ( 5.087 0.664 0.151) 5.132 12.289 ( 0.775 -6.964 -0.288) 7.013 12.372 ( -2.481 7.597 9.479) 12.398 12.517 ( -0.397 0.812 -2.085) 2.273 13.839 ( 0.404 0.124 -6.238) 6.253 13.932 ( 0.076 -1.610 8.608) 8.757 15.486 ( 1.659 -2.795 7.813) 8.462 15.649 ( -2.485 0.316 0.219) 2.515 15.717 ( 2.640 -2.126 4.685) 5.782 15.862 ( -1.904 2.331 -13.436) 13.769 16.530 ( 0.792 1.304 -2.726) 3.124 16.706 ( -1.268 7.222 1.971) 7.592 21.142 ( 1.705 -3.767 -0.547) 4.171 21.439 ( -2.607 2.580 -1.356) 3.911 22.083 ( 0.554 -2.389 0.792) 2.577 22.239 ( -3.302 -0.549 -1.506) 3.671 22.387 ( 0.948 -7.740 -2.636) 8.231 22.495 ( 0.402 -1.346 -3.558) 3.825 22.932 ( 1.091 -1.890 -1.005) 2.403 23.081 ( 1.922 -3.256 -1.518) 4.074 23.238 ( -0.201 5.870 3.517) 6.846 23.400 ( -1.352 2.961 1.581) 3.619 23.799 ( 0.279 -2.136 -5.753) 6.143 23.931 ( -0.396 0.304 5.295) 5.318 24.024 ( 0.114 -0.264 -3.076) 3.090 24.049 ( 0.233 -0.702 -1.288) 1.485 24.067 ( 0.044 -0.964 -0.149) 0.977 24.084 ( -0.216 -0.502 1.926) 2.002 24.793 ( 0.944 -2.617 1.172) 3.019 24.929 ( -0.951 1.601 -0.875) 2.057 45.983 ( -1.496 -26.234 -6.150) 26.987 46.127 ( 6.945 -24.346 -2.610) 25.451 46.946 ( -22.705 -13.823 -14.696) 30.374 47.212 ( -20.843 -10.408 -16.824) 28.737 47.695 ( 22.147 -17.470 -27.548) 39.428 48.746 ( 5.929 -1.342 -0.366) 6.090 54.048 ( -6.155 2.785 6.503) 9.377 54.246 ( -4.680 4.014 13.847) 15.157 54.356 ( 10.465 4.822 5.038) 12.576 54.754 ( 5.164 -0.526 5.356) 7.458 54.797 ( -0.711 4.033 -3.315) 5.269 55.028 ( -0.539 2.338 -5.041) 5.582 ======================= Grid point 151 (57/85) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.000 -26.274 -8.145) 27.508 2.107 ( 0.000 -26.768 -24.139) 36.044 3.099 ( 0.000 -32.572 -27.102) 42.373 3.994 ( -0.000 13.526 10.196) 16.938 4.520 ( -0.000 11.072 19.093) 22.071 4.588 ( 0.000 7.104 -9.496) 11.859 4.825 ( 0.000 2.918 -1.857) 3.458 5.260 ( -0.000 5.580 5.696) 7.974 5.332 ( 0.000 -2.396 -6.262) 6.704 6.020 ( -0.000 -4.902 0.537) 4.931 6.201 ( -0.000 4.135 4.334) 5.990 6.236 ( 0.000 -6.855 -6.928) 9.746 6.355 ( -0.000 0.235 1.382) 1.402 6.807 ( 0.000 1.845 -6.899) 7.141 6.951 ( -0.000 -9.377 6.284) 11.288 7.519 ( 0.000 -11.182 -8.734) 14.189 8.599 ( -0.000 -8.980 7.673) 11.812 8.766 ( 0.000 -4.520 -6.760) 8.132 9.234 ( -0.000 6.985 3.300) 7.725 9.567 ( 0.000 5.179 -5.747) 7.737 10.965 ( -0.000 17.192 9.585) 19.683 11.138 ( -0.000 19.966 11.115) 22.852 11.459 ( -0.000 -1.149 7.796) 7.880 11.760 ( 0.000 3.909 -2.156) 4.464 11.823 ( -0.000 0.692 1.630) 1.771 12.197 ( 0.000 -8.624 -2.642) 9.020 12.484 ( 0.000 0.245 -2.157) 2.171 12.628 ( -0.000 9.492 16.998) 19.469 13.777 ( 0.000 0.041 -4.505) 4.505 14.017 ( -0.000 -2.711 9.840) 10.206 15.522 ( -0.000 -1.201 2.848) 3.091 15.675 ( 0.000 3.147 -0.814) 3.250 15.717 ( 0.000 -3.561 -2.282) 4.229 15.776 ( 0.000 -0.249 -0.395) 0.467 16.501 ( 0.000 1.280 -3.223) 3.468 16.782 ( 0.000 9.776 -3.253) 10.303 21.089 ( 0.000 -4.152 -1.072) 4.288 21.462 ( 0.000 2.766 -1.495) 3.144 22.065 ( 0.000 -2.428 0.147) 2.432 22.253 ( 0.000 0.432 -0.698) 0.821 22.281 ( 0.000 -8.223 -2.463) 8.584 22.440 ( 0.000 -0.394 -3.687) 3.708 22.901 ( 0.000 -2.802 -0.215) 2.811 23.014 ( 0.000 -4.151 -1.811) 4.529 23.329 ( -0.000 5.635 3.512) 6.640 23.451 ( -0.000 2.911 1.425) 3.241 23.719 ( 0.000 -1.818 -4.984) 5.305 23.976 ( -0.000 -0.044 0.943) 0.944 23.983 ( 0.000 -0.431 -3.548) 3.574 24.035 ( -0.000 -1.325 1.836) 2.264 24.041 ( 0.000 -1.385 -1.507) 2.047 24.116 ( -0.000 -0.670 3.115) 3.187 24.778 ( -0.000 -2.688 1.115) 2.910 24.941 ( 0.000 1.960 -0.709) 2.084 45.712 ( 0.000 -23.839 -11.058) 26.279 45.794 ( 0.000 -27.804 -5.130) 28.273 46.914 ( 0.000 -19.186 -30.723) 36.222 46.944 ( 0.000 -14.649 -7.360) 16.394 47.149 ( 0.000 -5.993 -18.876) 19.805 48.652 ( 0.000 -3.690 -0.117) 3.692 54.236 ( -0.000 -0.058 9.977) 9.977 54.315 ( -0.000 6.031 2.983) 6.729 54.499 ( -0.000 5.609 10.883) 12.243 54.758 ( -0.000 -0.334 4.282) 4.295 54.798 ( 0.000 3.339 -2.980) 4.476 54.994 ( 0.000 2.100 -4.263) 4.752 ======================= Grid point 182 (58/85) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -0.000 0.000 27.575) 27.575 2.133 ( -0.000 0.000 27.575) 27.575 3.531 ( -0.000 0.000 33.956) 33.956 3.592 ( 0.000 -0.000 -38.838) 38.838 4.437 ( -0.000 -0.000 -1.909) 1.909 4.437 ( 0.000 -0.000 -1.909) 1.909 5.763 ( -0.000 0.000 4.614) 4.614 5.763 ( -0.000 0.000 4.614) 4.614 5.826 ( -0.000 -0.000 2.400) 2.400 5.826 ( -0.000 0.000 2.400) 2.400 5.947 ( -0.000 0.000 20.072) 20.072 6.282 ( -0.000 0.000 1.157) 1.157 6.282 ( -0.000 0.000 1.157) 1.157 6.848 ( -0.000 -0.000 -0.696) 0.696 6.848 ( 0.000 -0.000 -0.696) 0.696 7.227 ( -0.000 0.000 9.261) 9.261 8.301 ( 0.000 -0.000 -2.576) 2.576 8.708 ( -0.000 0.000 2.778) 2.778 9.461 ( 0.000 -0.000 -5.190) 5.190 9.461 ( 0.000 -0.000 -5.190) 5.190 10.916 ( 0.000 -0.000 -20.303) 20.303 10.916 ( 0.000 -0.000 -20.303) 20.303 11.337 ( 0.000 -0.000 -3.384) 3.384 11.777 ( -0.000 -0.000 -0.636) 0.636 11.777 ( 0.000 0.000 -0.636) 0.636 11.905 ( 0.000 -0.000 -4.527) 4.527 12.296 ( 0.000 -0.000 -3.878) 3.878 12.296 ( 0.000 -0.000 -3.878) 3.878 13.909 ( 0.000 -0.000 -2.450) 2.450 14.163 ( -0.000 0.000 13.692) 13.692 15.198 ( 0.000 -0.000 -7.559) 7.559 15.198 ( 0.000 -0.000 -7.559) 7.559 16.110 ( -0.000 0.000 7.477) 7.477 16.110 ( -0.000 0.000 7.477) 7.477 16.582 ( 0.000 -0.000 -0.688) 0.688 16.778 ( 0.000 -0.000 -16.622) 16.622 21.193 ( -0.000 0.000 5.642) 5.642 21.604 ( -0.000 0.000 1.074) 1.074 22.111 ( -0.000 0.000 3.285) 3.285 22.111 ( -0.000 0.000 3.285) 3.285 22.437 ( -0.000 0.000 2.070) 2.070 22.437 ( -0.000 0.000 2.070) 2.070 22.943 ( -0.000 0.000 3.941) 3.941 22.943 ( -0.000 0.000 3.941) 3.941 23.371 ( 0.000 -0.000 -4.349) 4.349 23.371 ( 0.000 -0.000 -4.349) 4.349 23.834 ( -0.000 0.000 5.411) 5.411 23.901 ( 0.000 -0.000 -4.169) 4.169 23.901 ( 0.000 -0.000 -4.169) 4.169 24.062 ( -0.000 0.000 1.047) 1.047 24.126 ( -0.000 0.000 3.966) 3.966 24.126 ( -0.000 0.000 3.966) 3.966 24.682 ( -0.000 0.000 0.330) 0.330 24.994 ( 0.000 -0.000 -0.462) 0.462 46.216 ( -0.000 0.000 32.001) 32.001 46.216 ( -0.000 0.000 32.001) 32.001 47.125 ( -0.000 0.000 17.127) 17.127 47.755 ( -0.000 0.000 27.669) 27.669 47.755 ( -0.000 0.000 27.669) 27.669 48.456 ( -0.000 0.000 6.360) 6.360 54.081 ( 0.000 -0.000 -7.595) 7.595 54.081 ( 0.000 -0.000 -7.595) 7.595 54.495 ( 0.000 -0.000 -8.303) 8.303 54.495 ( 0.000 -0.000 -8.303) 8.303 54.632 ( 0.000 -0.000 -3.569) 3.569 54.794 ( 0.000 -0.000 -4.871) 4.871 ======================= Grid point 183 (59/85) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 2.166 1.251 22.871) 23.007 2.516 ( 3.812 2.201 23.405) 23.815 3.156 ( -1.856 -1.071 -31.594) 31.667 3.839 ( -7.414 -4.280 21.936) 23.547 4.248 ( -4.085 -2.359 1.322) 4.899 4.591 ( 6.474 3.738 -1.150) 7.564 5.692 ( -7.298 -4.213 -3.622) 9.172 5.743 ( -5.815 -3.357 5.384) 8.607 5.798 ( -2.849 -1.645 5.390) 6.315 5.931 ( 4.551 2.627 -2.649) 5.885 6.080 ( -5.865 -3.386 15.829) 17.216 6.304 ( -0.968 -0.559 2.537) 2.772 6.372 ( 2.696 1.556 6.216) 6.952 6.623 ( -7.917 -4.571 -1.084) 9.205 7.104 ( 13.305 7.682 0.058) 15.363 7.355 ( 2.358 1.361 8.096) 8.541 8.240 ( -3.598 -2.077 -1.759) 4.512 8.856 ( 13.943 8.050 1.793) 16.200 9.221 ( -10.706 -6.181 -3.899) 12.963 9.605 ( 13.627 7.868 -6.659) 17.086 10.605 ( -6.147 -3.549 -18.682) 19.985 10.690 ( -2.153 -1.243 -20.885) 21.033 11.310 ( 0.854 0.493 -1.740) 2.000 11.703 ( -2.475 -1.429 -1.122) 3.071 11.866 ( 1.971 1.138 -5.012) 5.505 11.886 ( 6.712 3.875 1.091) 7.827 12.170 ( -3.764 -2.173 -5.337) 6.883 12.340 ( 4.592 2.651 -3.467) 6.336 13.871 ( -1.572 -0.908 -1.391) 2.287 14.296 ( -1.661 -0.959 12.186) 12.336 15.143 ( 2.095 1.209 -4.287) 4.922 15.152 ( 1.973 1.139 -4.753) 5.271 16.119 ( -3.643 -2.103 4.301) 6.016 16.215 ( 0.615 0.355 5.549) 5.595 16.566 ( -0.011 -0.007 -1.966) 1.966 16.596 ( -0.820 -0.474 -13.025) 13.060 21.244 ( -0.932 -0.538 4.896) 5.013 21.593 ( -2.192 -1.266 0.372) 2.558 22.158 ( 1.140 0.658 3.333) 3.584 22.161 ( 0.462 0.267 3.771) 3.809 22.395 ( -3.160 -1.824 1.345) 3.889 22.508 ( 1.611 0.930 2.413) 3.047 22.974 ( 0.384 0.222 3.229) 3.259 23.029 ( 2.504 1.446 4.117) 5.031 23.301 ( -1.266 -0.731 -4.282) 4.525 23.328 ( -0.259 -0.149 -4.234) 4.244 23.821 ( -1.978 -1.142 -3.790) 4.425 23.890 ( 1.583 0.914 -3.130) 3.624 23.900 ( 0.801 0.462 4.894) 4.981 24.067 ( -0.149 -0.086 0.129) 0.215 24.161 ( -0.194 -0.112 2.803) 2.812 24.165 ( -0.158 -0.091 2.837) 2.843 24.699 ( 0.921 0.532 1.236) 1.631 24.982 ( -0.580 -0.335 -0.596) 0.897 46.460 ( -8.173 -4.718 32.395) 33.742 46.583 ( -2.955 -1.706 28.060) 28.267 47.289 ( -5.205 -3.005 18.242) 19.207 47.811 ( -19.332 -11.161 21.686) 31.122 48.204 ( 10.523 6.075 29.494) 31.899 48.641 ( 8.469 4.890 3.452) 10.370 53.938 ( -3.622 -2.091 -3.890) 5.711 53.986 ( -3.177 -1.834 -10.619) 11.235 54.390 ( 3.150 1.819 -5.434) 6.539 54.486 ( 4.951 2.859 -7.924) 9.771 54.620 ( 2.340 1.351 -3.150) 4.150 54.791 ( 4.563 2.634 -4.416) 6.875 ======================= Grid point 184 (60/85) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( -9.769 -5.640 -11.497) 16.107 2.729 ( 9.848 5.686 15.735) 19.414 3.098 ( 8.451 4.879 13.428) 16.599 3.664 ( -20.628 -11.910 3.786) 24.119 4.367 ( 3.342 1.929 9.140) 9.922 4.608 ( -3.704 -2.139 -1.638) 4.580 5.435 ( -11.648 -6.725 -7.323) 15.314 5.751 ( -1.002 -0.578 5.862) 5.975 5.793 ( -4.096 -2.365 4.514) 6.538 5.943 ( 0.254 0.146 -1.277) 1.310 6.146 ( -2.288 -1.321 9.229) 9.600 6.237 ( -7.162 -4.135 -2.184) 8.554 6.474 ( 1.435 0.828 5.672) 5.909 6.567 ( 1.218 0.703 0.402) 1.463 7.306 ( 7.167 4.138 1.995) 8.513 7.455 ( -0.432 -0.250 3.643) 3.677 8.188 ( -0.308 -0.178 3.149) 3.169 9.008 ( -9.390 -5.421 0.746) 10.868 9.246 ( 25.298 14.606 -0.435) 29.215 9.761 ( 11.317 6.534 -11.610) 17.480 10.326 ( -2.771 -1.600 -11.068) 11.522 10.379 ( -5.596 -3.231 -20.283) 21.288 11.337 ( 3.039 1.754 0.138) 3.511 11.658 ( -1.230 -0.710 -0.973) 1.721 11.884 ( 5.686 3.283 -4.014) 7.695 12.033 ( 7.047 4.068 1.998) 8.378 12.045 ( -1.899 -1.096 -6.664) 7.015 12.375 ( 2.566 1.482 -2.173) 3.675 13.826 ( -2.262 -1.306 -0.204) 2.620 14.373 ( -2.321 -1.340 8.019) 8.455 15.166 ( 3.030 1.749 -0.931) 3.620 15.172 ( 3.739 2.159 -0.734) 4.380 16.075 ( -4.253 -2.455 0.889) 4.990 16.249 ( -1.498 -0.865 1.734) 2.449 16.472 ( -0.154 -0.089 -7.152) 7.154 16.541 ( 0.043 0.025 -2.384) 2.385 21.275 ( -0.843 -0.487 3.832) 3.953 21.532 ( -4.345 -2.509 -0.385) 5.032 22.207 ( -0.110 -0.064 2.844) 2.847 22.213 ( 0.356 0.206 4.113) 4.133 22.356 ( -2.220 -1.282 0.742) 2.669 22.545 ( -0.836 -0.483 2.565) 2.741 23.022 ( 1.715 0.990 1.296) 2.367 23.120 ( 2.625 1.515 3.135) 4.361 23.233 ( -0.963 -0.556 -3.763) 3.924 23.274 ( -0.675 -0.390 -3.217) 3.310 23.746 ( -2.081 -1.201 -2.540) 3.496 23.890 ( 1.200 0.693 -1.445) 2.001 23.969 ( 1.184 0.684 3.743) 3.985 24.059 ( -0.479 -0.277 -0.593) 0.811 24.180 ( -0.256 -0.148 1.223) 1.258 24.182 ( -0.626 -0.361 1.548) 1.709 24.740 ( 1.542 0.890 1.706) 2.466 24.960 ( -1.117 -0.645 -0.589) 1.418 46.651 ( -8.965 -5.176 29.640) 31.396 46.740 ( -10.717 -6.188 22.784) 25.928 47.324 ( -13.881 -8.014 19.140) 24.965 47.624 ( -23.460 -13.544 16.570) 31.755 48.670 ( -6.482 -3.742 -5.152) 9.086 48.707 ( 9.796 5.656 21.010) 23.861 53.809 ( -1.802 -1.040 -8.351) 8.607 53.909 ( 2.693 1.555 1.645) 3.518 54.446 ( 7.036 4.063 -3.867) 8.998 54.501 ( 5.401 3.118 -6.787) 9.217 54.641 ( 3.405 1.966 -2.629) 4.730 54.831 ( 4.637 2.677 -4.391) 6.924 ======================= Grid point 185 (61/85) ======================= q-point: (-0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -12.830 -7.407 -0.434) 14.821 3.050 ( 3.000 1.732 5.273) 6.309 3.334 ( -9.749 -5.628 2.602) 11.554 3.482 ( 9.407 5.431 21.432) 24.027 4.406 ( -15.801 -9.123 -1.898) 18.344 4.462 ( -1.194 -0.689 3.971) 4.204 5.148 ( -9.426 -5.442 -7.666) 13.313 5.722 ( -6.444 -3.720 0.061) 7.441 5.815 ( 1.359 0.785 2.349) 2.825 5.968 ( 2.732 1.577 1.841) 3.653 6.021 ( -10.173 -5.873 -5.052) 12.787 6.196 ( -1.330 -0.768 5.362) 5.577 6.560 ( 1.871 1.080 4.061) 4.600 6.597 ( 1.910 1.103 -2.556) 3.376 7.397 ( -5.885 -3.398 -1.265) 6.912 7.430 ( 2.320 1.340 5.429) 6.055 8.348 ( 8.545 4.934 9.802) 13.908 8.893 ( -6.450 -3.724 4.805) 8.863 9.646 ( 16.270 9.394 -12.030) 22.309 9.661 ( -4.258 -2.458 -13.628) 14.488 10.128 ( 5.696 3.289 -10.409) 12.313 10.348 ( 12.388 7.152 -4.661) 15.045 11.421 ( 4.613 2.663 1.800) 5.622 11.634 ( -0.552 -0.319 -0.602) 0.877 11.899 ( -0.950 -0.548 -4.863) 4.985 12.051 ( 12.261 7.079 -5.195) 15.081 12.181 ( 6.177 3.566 2.425) 7.534 12.383 ( -0.343 -0.198 -0.104) 0.410 13.787 ( -2.262 -1.306 0.761) 2.721 14.392 ( -1.867 -1.078 2.110) 3.017 15.243 ( 3.791 2.189 3.430) 5.561 15.252 ( 3.992 2.305 1.787) 4.944 15.986 ( -4.330 -2.500 -2.364) 5.531 16.208 ( -2.789 -1.610 -1.493) 3.550 16.418 ( -0.008 -0.005 -2.673) 2.673 16.520 ( 0.158 0.091 -1.299) 1.312 21.305 ( 0.112 0.064 2.894) 2.897 21.428 ( -5.873 -3.391 -1.030) 6.859 22.211 ( -2.403 -1.388 2.159) 3.516 22.267 ( 0.366 0.212 4.389) 4.409 22.328 ( -1.477 -0.853 -0.188) 1.716 22.535 ( -3.292 -1.900 2.479) 4.538 23.047 ( 0.194 0.112 -0.960) 0.986 23.160 ( -0.915 -0.529 -0.373) 1.121 23.196 ( 1.597 0.922 -2.945) 3.475 23.266 ( 2.579 1.489 0.269) 2.990 23.693 ( -1.819 -1.050 -0.235) 2.113 23.902 ( 0.676 0.390 0.531) 0.944 24.023 ( 0.946 0.546 2.223) 2.477 24.038 ( -0.787 -0.454 -0.889) 1.271 24.176 ( -0.554 -0.320 -0.599) 0.876 24.179 ( -0.854 -0.493 0.455) 1.086 24.791 ( 1.866 1.077 1.722) 2.759 24.928 ( -1.642 -0.948 -0.577) 1.982 46.712 ( -17.971 -10.375 19.006) 28.139 46.797 ( -8.928 -5.154 25.102) 27.136 47.220 ( -20.176 -11.649 19.330) 30.273 47.331 ( -25.825 -14.910 12.345) 32.274 48.288 ( -22.004 -12.704 -12.909) 28.499 48.958 ( 0.904 0.522 5.226) 5.330 53.788 ( 5.461 3.153 -0.880) 6.367 54.071 ( 8.876 5.125 6.599) 12.190 54.515 ( 4.194 2.421 -7.127) 8.617 54.529 ( 6.578 3.798 -4.674) 8.919 54.686 ( 4.064 2.346 -1.517) 4.931 54.854 ( 3.039 1.754 -4.225) 5.492 ======================= Grid point 186 (62/85) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -14.315 -8.265 21.489) 27.111 2.738 ( -24.965 -14.414 -0.856) 28.840 3.571 ( 19.505 11.261 -1.158) 22.552 3.901 ( 9.080 5.243 21.289) 23.731 4.001 ( -25.519 -14.733 -0.416) 29.470 4.448 ( -1.979 -1.143 1.361) 2.660 4.933 ( -5.424 -3.131 -5.750) 8.502 5.576 ( -6.595 -3.808 -3.887) 8.550 5.655 ( -7.404 -4.275 -15.868) 18.025 5.960 ( -0.111 -0.064 7.331) 7.332 6.066 ( 4.548 2.626 2.209) 5.698 6.222 ( -1.664 -0.961 4.475) 4.870 6.554 ( -0.377 -0.218 -7.633) 7.646 6.633 ( 1.662 0.960 3.262) 3.785 7.267 ( -6.656 -3.843 -0.246) 7.690 7.522 ( -1.486 -0.858 9.140) 9.300 8.634 ( 8.755 5.055 8.011) 12.898 8.861 ( -4.306 -2.486 5.766) 7.613 9.436 ( -6.185 -3.571 -4.387) 8.382 9.471 ( -4.010 -2.315 -21.061) 21.564 10.444 ( 25.822 14.909 -2.697) 29.939 10.561 ( 15.969 9.220 -6.189) 19.451 11.538 ( 5.098 2.943 2.670) 6.463 11.614 ( -0.334 -0.193 -2.255) 2.288 11.834 ( 0.141 0.082 -3.921) 3.924 12.280 ( 17.453 10.077 -5.146) 20.800 12.313 ( 4.367 2.521 3.302) 6.028 12.359 ( -3.010 -1.738 1.390) 3.743 13.760 ( -1.894 -1.094 1.382) 2.587 14.344 ( -1.705 -0.984 -5.325) 5.677 15.353 ( 3.668 2.118 3.460) 5.470 15.380 ( 4.083 2.357 7.603) 8.946 15.867 ( -3.836 -2.215 -5.128) 6.776 16.110 ( -4.375 -2.526 -4.349) 6.666 16.410 ( 0.611 0.353 0.333) 0.780 16.529 ( 0.970 0.560 1.778) 2.102 21.299 ( -6.391 -3.690 -1.268) 7.488 21.347 ( 1.293 0.746 2.194) 2.654 22.177 ( -3.322 -1.918 1.317) 4.056 22.291 ( -1.699 -0.981 -0.945) 2.177 22.325 ( 0.286 0.165 4.538) 4.550 22.482 ( -5.173 -2.987 2.245) 6.381 23.010 ( -2.081 -1.202 -1.450) 2.807 23.115 ( -2.672 -1.543 -0.360) 3.107 23.222 ( 4.380 2.529 -3.051) 5.907 23.337 ( 3.844 2.219 0.332) 4.451 23.677 ( -1.425 -0.823 2.483) 2.979 23.925 ( 0.093 0.054 2.137) 2.140 24.012 ( -0.965 -0.557 -0.740) 1.338 24.050 ( 0.009 0.005 0.983) 0.983 24.145 ( -1.001 -0.578 -2.316) 2.589 24.166 ( -0.487 -0.281 -0.492) 0.747 24.845 ( 1.994 1.151 1.482) 2.738 24.886 ( -2.123 -1.226 -0.702) 2.550 46.492 ( -26.159 -15.103 13.828) 33.220 46.816 ( -21.127 -12.198 11.321) 26.894 47.009 ( -17.428 -10.062 16.497) 26.022 47.054 ( -21.392 -12.351 21.131) 32.506 47.678 ( -25.282 -14.597 -11.662) 31.437 48.902 ( -4.872 -2.813 -5.119) 7.606 53.959 ( 9.750 5.629 3.836) 11.894 54.327 ( 8.438 4.872 5.639) 11.258 54.497 ( 3.566 2.059 -6.177) 7.423 54.569 ( 4.731 2.732 -6.935) 8.828 54.762 ( 4.713 2.721 0.985) 5.530 54.849 ( 1.454 0.839 -4.001) 4.339 ======================= Grid point 187 (63/85) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -17.410 -10.052 33.712) 39.251 2.257 ( -26.358 -15.218 1.278) 30.463 3.485 ( -31.579 -18.232 6.684) 37.072 3.857 ( 17.011 9.821 -9.879) 21.987 4.295 ( 8.695 5.020 17.277) 19.982 4.471 ( 4.763 2.750 -1.234) 5.636 4.823 ( -1.486 -0.858 -2.406) 2.955 5.365 ( -2.833 -1.636 -15.309) 15.655 5.409 ( -5.879 -3.394 -3.916) 7.837 6.036 ( -0.341 -0.197 4.896) 4.912 6.158 ( 4.118 2.377 -0.799) 4.822 6.241 ( -2.626 -1.516 5.745) 6.496 6.433 ( -1.829 -1.056 -8.310) 8.574 6.708 ( 1.586 0.916 5.118) 5.436 7.137 ( -6.929 -4.001 -1.819) 8.205 7.563 ( -6.021 -3.476 9.713) 11.945 8.768 ( -0.913 -0.527 3.347) 3.509 8.805 ( -7.142 -4.123 -0.611) 8.270 9.230 ( 1.457 0.841 -12.477) 12.590 9.414 ( 2.363 1.364 6.254) 6.823 10.777 ( 15.858 9.156 -7.793) 19.901 10.857 ( 23.464 13.547 -6.491) 27.861 11.557 ( -0.835 -0.482 -5.913) 5.992 11.659 ( 4.503 2.600 2.681) 5.850 11.820 ( 1.306 0.754 -1.624) 2.216 12.293 ( -6.206 -3.583 2.876) 7.721 12.423 ( 2.986 1.724 3.061) 4.611 12.531 ( 17.117 9.883 -9.515) 21.936 13.751 ( -1.164 -0.672 2.251) 2.622 14.203 ( -2.909 -1.680 -11.550) 12.029 15.463 ( 3.105 1.792 4.749) 5.950 15.557 ( 3.585 2.070 10.745) 11.515 15.737 ( -2.556 -1.476 -6.891) 7.497 15.950 ( -5.495 -3.172 -7.439) 9.777 16.445 ( 1.168 0.674 2.583) 2.914 16.611 ( 3.899 2.251 5.216) 6.890 21.175 ( -5.640 -3.256 -0.660) 6.546 21.401 ( 2.153 1.243 1.727) 3.027 22.120 ( -3.385 -1.955 -0.015) 3.909 22.257 ( -1.003 -0.579 -0.239) 1.183 22.364 ( -3.371 -1.946 3.905) 5.514 22.414 ( -2.997 -1.731 2.596) 4.326 22.952 ( -2.637 -1.523 -0.762) 3.139 23.063 ( -3.241 -1.871 0.775) 3.821 23.275 ( 5.105 2.947 -3.393) 6.802 23.405 ( 3.527 2.036 -0.524) 4.106 23.692 ( -1.323 -0.764 4.370) 4.630 23.952 ( -0.337 -0.195 3.077) 3.102 23.989 ( -0.841 -0.486 -0.258) 1.005 24.050 ( -0.976 -0.564 0.811) 1.388 24.091 ( -1.257 -0.726 -3.341) 3.643 24.149 ( -0.090 -0.052 -1.766) 1.769 24.834 ( -2.422 -1.398 -0.950) 2.953 24.897 ( 1.949 1.125 1.126) 2.517 46.089 ( -29.086 -16.793 8.382) 34.615 46.307 ( -32.334 -18.668 0.551) 37.340 46.936 ( -19.874 -11.474 25.787) 34.520 47.045 ( -7.179 -4.145 19.207) 20.919 47.195 ( -18.622 -10.751 -0.927) 21.523 48.745 ( -4.554 -2.629 -4.564) 6.964 54.179 ( 9.074 5.239 2.390) 10.747 54.349 ( 0.146 0.084 -9.007) 9.009 54.548 ( 3.481 2.010 -9.799) 10.591 54.638 ( 7.437 4.294 5.835) 10.382 54.817 ( 0.226 0.131 -4.275) 4.283 54.879 ( 4.466 2.578 4.137) 6.611 ======================= Grid point 192 (64/85) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -0.000 -13.346 11.031) 17.315 2.816 ( -0.000 5.118 24.512) 25.041 2.880 ( 0.000 2.979 -13.595) 13.918 4.133 ( 0.000 -17.292 -4.138) 17.780 4.185 ( -0.000 5.819 19.653) 20.496 4.616 ( 0.000 12.411 -0.936) 12.447 5.601 ( 0.000 -19.910 -2.205) 20.032 5.780 ( -0.000 -4.940 3.404) 5.999 5.870 ( -0.000 0.362 1.517) 1.560 5.911 ( -0.000 5.219 0.413) 5.235 6.165 ( -0.000 -11.747 5.919) 13.154 6.401 ( -0.000 3.825 3.767) 5.369 6.477 ( -0.000 6.050 6.899) 9.176 6.676 ( -0.000 -2.535 1.743) 3.076 6.982 ( 0.000 2.912 -2.658) 3.942 7.523 ( -0.000 17.804 5.258) 18.564 8.224 ( 0.000 -5.441 0.151) 5.443 8.827 ( -0.000 9.094 0.482) 9.107 9.262 ( 0.000 -1.420 -2.543) 2.913 9.445 ( 0.000 5.352 -6.816) 8.666 10.402 ( 0.000 -5.748 -17.042) 17.986 10.458 ( 0.000 -2.882 -20.218) 20.423 11.280 ( 0.000 -2.077 -0.235) 2.090 11.702 ( 0.000 -2.266 -0.787) 2.398 11.776 ( 0.000 0.150 -4.762) 4.765 11.925 ( -0.000 10.863 0.489) 10.874 12.114 ( 0.000 -4.077 -5.534) 6.873 12.306 ( 0.000 7.095 -3.478) 7.901 13.861 ( 0.000 -2.370 0.136) 2.374 14.410 ( -0.000 -3.818 8.882) 9.668 15.100 ( 0.000 0.581 -0.636) 0.862 15.136 ( 0.000 3.690 -0.454) 3.718 16.136 ( -0.000 -5.981 0.904) 6.049 16.276 ( -0.000 3.287 2.089) 3.895 16.469 ( 0.000 0.231 -9.259) 9.261 16.540 ( 0.000 -0.127 -2.319) 2.323 21.291 ( -0.000 -2.263 4.315) 4.873 21.596 ( 0.000 -1.963 -0.345) 1.993 22.172 ( -0.000 -1.962 3.643) 4.138 22.237 ( -0.000 4.423 4.129) 6.051 22.407 ( -0.000 -3.920 1.376) 4.154 22.544 ( -0.000 4.102 1.516) 4.373 22.999 ( -0.000 -1.779 3.010) 3.497 23.074 ( -0.000 2.774 3.310) 4.319 23.243 ( 0.000 -2.487 -4.175) 4.859 23.291 ( 0.000 1.222 -3.942) 4.127 23.786 ( 0.000 -2.614 -2.160) 3.391 23.862 ( 0.000 1.912 -1.756) 2.596 23.951 ( -0.000 0.868 3.988) 4.081 24.067 ( 0.000 0.156 -0.546) 0.568 24.181 ( -0.000 -0.752 1.246) 1.455 24.193 ( -0.000 0.159 1.605) 1.613 24.718 ( -0.000 0.683 2.132) 2.239 24.976 ( 0.000 -0.372 -0.762) 0.848 46.796 ( -0.000 -13.916 29.988) 33.059 46.878 ( -0.000 -10.974 28.248) 30.305 47.546 ( -0.000 3.494 17.765) 18.105 48.191 ( -0.000 -8.659 16.468) 18.606 48.373 ( -0.000 3.070 20.620) 20.848 48.727 ( -0.000 13.003 8.868) 15.739 53.844 ( 0.000 -9.347 -9.598) 13.397 53.920 ( 0.000 -2.455 -1.707) 2.990 54.271 ( 0.000 -2.970 -5.000) 5.816 54.409 ( 0.000 7.136 -6.813) 9.866 54.599 ( 0.000 4.049 -2.693) 4.862 54.769 ( 0.000 8.801 -3.454) 9.455 ======================= Grid point 193 (65/85) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -1.671 -12.379 -0.237) 12.493 2.881 ( -1.005 1.761 11.535) 11.712 3.194 ( 9.081 1.666 21.367) 23.276 3.834 ( -13.840 -14.029 -2.956) 19.927 4.445 ( 2.378 5.025 9.631) 11.121 4.667 ( -3.728 7.647 -2.296) 8.812 5.357 ( -4.527 -22.978 -3.442) 23.671 5.781 ( 0.001 -2.861 2.445) 3.763 5.878 ( -0.803 1.381 0.556) 1.691 5.944 ( -2.467 2.783 0.439) 3.745 6.108 ( 0.766 -11.364 0.095) 11.390 6.432 ( -6.676 4.568 2.858) 8.579 6.544 ( 1.542 2.182 -1.482) 3.056 6.611 ( -10.252 4.338 4.526) 12.017 7.099 ( 14.328 -5.972 0.655) 15.536 7.674 ( -6.296 20.362 -0.599) 21.322 8.212 ( 1.395 -3.223 6.147) 7.079 9.031 ( 16.357 11.588 -1.462) 20.099 9.144 ( -9.982 1.666 1.206) 10.191 9.536 ( 11.582 5.011 -6.948) 14.406 10.172 ( -2.000 -5.429 -17.043) 17.998 10.189 ( -0.337 -4.307 -14.301) 14.940 11.290 ( 3.408 -2.712 1.462) 4.594 11.669 ( -1.438 0.133 -0.824) 1.663 11.767 ( 5.478 1.521 -4.557) 7.286 11.991 ( -2.853 -0.972 -4.915) 5.765 12.056 ( 2.858 9.421 0.468) 9.856 12.346 ( 1.943 6.917 -2.754) 7.694 13.841 ( -1.222 -3.164 1.796) 3.838 14.435 ( -0.968 -5.438 3.634) 6.612 15.137 ( 2.357 0.398 3.170) 3.970 15.194 ( 1.026 4.278 3.558) 5.658 16.068 ( -1.342 -5.814 -2.406) 6.434 16.284 ( -2.466 2.788 -2.193) 4.320 16.406 ( 0.925 0.910 -4.077) 4.279 16.517 ( 0.066 -0.014 -1.656) 1.658 21.311 ( -0.252 -2.953 3.473) 4.565 21.552 ( -2.561 -2.614 -1.033) 3.802 22.199 ( 0.949 -3.534 3.454) 5.032 22.315 ( -1.571 5.032 4.167) 6.720 22.381 ( -1.730 -1.941 0.896) 2.750 22.587 ( -0.407 2.810 1.199) 3.082 23.016 ( 0.808 -1.400 1.226) 2.029 23.133 ( 1.391 1.527 1.645) 2.640 23.179 ( 0.362 -2.351 -3.552) 4.275 23.258 ( -0.764 1.772 -2.788) 3.391 23.742 ( -1.340 -2.264 -0.053) 2.632 23.875 ( 0.980 1.163 0.318) 1.554 24.001 ( 0.507 1.001 2.669) 2.895 24.057 ( -0.467 0.294 -0.891) 1.048 24.178 ( 0.108 -1.090 -0.515) 1.210 24.202 ( -0.454 0.148 0.227) 0.529 24.755 ( 0.697 0.623 2.461) 2.633 24.960 ( -0.597 -0.416 -0.788) 1.072 46.957 ( -3.437 -18.310 26.446) 32.349 47.027 ( -4.675 -17.683 24.701) 30.736 47.692 ( -10.633 1.638 16.420) 19.631 48.060 ( -22.637 -7.265 11.889) 26.581 48.622 ( 2.117 -1.530 0.827) 2.740 48.940 ( -1.959 12.088 12.128) 17.235 53.677 ( 2.280 -9.785 -5.578) 11.492 53.909 ( 2.095 -0.322 2.290) 3.120 54.262 ( 8.232 -3.634 -4.019) 9.855 54.426 ( 2.421 8.112 -5.151) 9.909 54.614 ( 1.161 4.532 -2.262) 5.197 54.816 ( 0.294 10.285 -3.264) 10.794 ======================= Grid point 194 (66/85) ======================= q-point: (-0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -5.842 -8.261 16.954) 19.743 3.037 ( 5.724 -3.849 7.333) 10.067 3.428 ( -9.494 -9.360 1.945) 13.473 3.649 ( 5.259 2.302 16.218) 17.204 4.533 ( -3.258 2.958 2.186) 4.914 4.556 ( -13.125 1.316 -3.153) 13.562 5.067 ( -4.551 -20.944 -4.539) 21.908 5.728 ( -3.145 -7.149 -6.060) 9.885 5.847 ( -6.033 1.191 -0.038) 6.149 5.955 ( 2.476 2.356 0.681) 3.485 6.029 ( -0.822 -4.041 -0.755) 4.192 6.358 ( -10.361 2.360 3.069) 11.061 6.544 ( 1.013 3.786 -5.751) 6.960 6.612 ( -1.372 2.579 2.754) 4.014 7.223 ( 8.827 -10.542 3.997) 14.319 7.679 ( -8.213 15.975 -2.733) 18.169 8.372 ( 6.792 1.066 11.050) 13.015 9.052 ( -8.434 2.274 5.193) 10.162 9.352 ( 16.018 8.824 -9.616) 20.662 9.579 ( 0.274 3.421 -6.560) 7.404 9.933 ( 4.572 -1.462 -12.198) 13.109 10.142 ( 11.732 1.275 -7.523) 13.995 11.362 ( 6.363 -2.721 2.893) 7.500 11.645 ( -1.545 0.861 -0.923) 1.995 11.860 ( 11.443 4.338 -3.907) 12.846 11.882 ( -2.956 1.263 -5.641) 6.492 12.195 ( 3.760 8.167 2.104) 9.234 12.392 ( 0.562 5.502 -1.453) 5.718 13.820 ( -2.028 -3.253 3.071) 4.911 14.384 ( -1.117 -5.466 -2.285) 6.029 15.235 ( 3.790 -0.142 6.057) 7.146 15.305 ( 1.664 3.719 6.998) 8.097 15.959 ( -2.292 -4.346 -5.173) 7.134 16.218 ( -3.531 1.912 -5.130) 6.514 16.397 ( 0.598 0.877 -0.982) 1.446 16.510 ( 0.454 0.326 -0.162) 0.582 21.323 ( 0.466 -2.661 2.733) 3.843 21.463 ( -4.817 -2.860 -1.562) 5.816 22.215 ( 0.691 -4.763 2.995) 5.669 22.327 ( -3.049 -1.331 0.986) 3.470 22.386 ( -2.374 4.781 2.940) 6.094 22.598 ( -2.450 1.010 1.358) 2.978 23.020 ( 0.862 -1.772 -0.844) 2.144 23.130 ( 1.578 -1.298 -2.540) 3.260 23.173 ( 0.108 1.061 -0.751) 1.304 23.251 ( 1.139 2.251 -0.867) 2.668 23.720 ( -1.546 -1.636 2.567) 3.414 23.910 ( 0.918 0.410 2.220) 2.437 24.038 ( -0.018 0.514 0.240) 0.567 24.039 ( -0.327 0.548 0.110) 0.647 24.155 ( 0.152 -1.222 -2.169) 2.494 24.189 ( -0.839 0.129 -1.039) 1.342 24.800 ( 1.199 0.442 2.320) 2.648 24.934 ( -1.252 -0.514 -0.837) 1.591 46.996 ( -8.606 -22.184 21.660) 32.177 47.055 ( -5.680 -20.467 22.231) 30.747 47.637 ( -19.110 -4.900 12.018) 23.100 47.782 ( -27.070 -6.456 10.128) 29.615 48.390 ( -21.320 -4.459 -8.393) 23.343 49.046 ( -5.013 5.438 0.126) 7.397 53.676 ( 9.145 -5.575 2.223) 10.939 54.056 ( 9.504 3.027 6.757) 12.048 54.309 ( 10.318 -4.462 -5.775) 12.638 54.465 ( 1.136 8.561 -5.100) 10.029 54.653 ( 2.656 3.499 -0.830) 4.470 54.854 ( -0.984 9.584 -3.627) 10.294 ======================= Grid point 195 (67/85) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -9.402 -5.896 33.105) 34.916 2.919 ( -17.559 -14.835 0.754) 22.999 3.383 ( 10.998 4.622 -3.889) 12.548 4.018 ( 11.592 1.144 18.174) 21.586 4.267 ( -22.765 -3.555 -1.252) 23.075 4.488 ( -4.573 3.674 -3.585) 6.875 4.821 ( -0.289 -20.407 -2.387) 20.548 5.454 ( -5.292 -8.710 -17.074) 19.885 5.723 ( -11.494 3.099 -1.583) 12.009 6.034 ( 0.262 0.191 5.200) 5.210 6.044 ( 4.163 3.036 -0.262) 5.159 6.294 ( -3.361 -1.850 2.110) 4.379 6.491 ( -2.249 4.797 -7.748) 9.386 6.657 ( 1.567 0.235 2.840) 3.252 7.261 ( -0.195 -7.190 4.622) 8.549 7.682 ( -4.071 8.013 0.677) 9.014 8.597 ( 9.041 -4.141 9.315) 13.626 9.021 ( -8.069 1.480 1.498) 8.339 9.289 ( -2.617 2.610 -12.395) 12.934 9.505 ( -6.400 4.670 0.411) 7.933 10.140 ( 25.518 10.281 -5.192) 27.996 10.298 ( 17.788 4.983 -8.257) 20.234 11.479 ( 7.709 -2.343 3.582) 8.817 11.602 ( -2.271 0.335 -3.482) 4.171 11.823 ( -1.387 4.562 -3.267) 5.780 12.051 ( 15.878 6.352 -4.328) 17.640 12.331 ( 3.557 5.354 3.324) 7.236 12.408 ( -2.045 3.149 -0.298) 3.767 13.803 ( -2.379 -2.679 3.678) 5.134 14.266 ( -1.608 -4.678 -8.021) 9.423 15.363 ( 3.875 -0.173 7.039) 8.037 15.460 ( 2.797 2.154 10.818) 11.380 15.822 ( -2.993 -2.428 -7.481) 8.416 16.095 ( -4.678 0.449 -8.377) 9.605 16.419 ( 0.711 1.173 1.902) 2.345 16.536 ( 1.740 1.003 1.436) 2.469 21.344 ( -4.427 -2.472 -0.851) 5.141 21.347 ( -0.043 -2.041 1.297) 2.419 22.205 ( -1.414 -4.023 2.031) 4.723 22.274 ( -1.670 -2.895 -0.698) 3.415 22.423 ( -2.928 3.702 3.955) 6.158 22.565 ( -4.827 -0.487 1.516) 5.083 22.993 ( -0.300 -2.756 -0.864) 2.904 23.137 ( 3.969 0.816 -3.622) 5.435 23.156 ( -2.600 1.621 0.155) 3.068 23.297 ( 3.777 1.719 -0.674) 4.204 23.731 ( -1.434 -1.100 4.786) 5.116 23.952 ( 0.396 -0.124 3.251) 3.278 24.014 ( -1.006 0.077 -1.251) 1.607 24.059 ( 0.215 0.220 0.640) 0.710 24.115 ( -0.199 -0.906 -3.199) 3.331 24.160 ( -0.793 0.070 -2.048) 2.197 24.846 ( 1.585 0.249 1.930) 2.510 24.897 ( -1.938 -0.633 -1.009) 2.275 46.834 ( -20.030 -22.582 15.580) 33.969 47.030 ( -8.499 -21.870 16.785) 28.849 47.338 ( -25.673 -15.284 4.946) 30.285 47.450 ( -19.268 -13.457 4.516) 23.932 47.949 ( -30.410 3.438 3.007) 30.751 48.933 ( -7.726 2.540 -6.339) 10.311 53.846 ( 12.561 -3.366 4.675) 13.819 54.314 ( 7.297 3.084 1.305) 8.029 54.340 ( 12.271 -2.156 -3.126) 12.845 54.470 ( -0.583 8.296 -5.268) 9.844 54.739 ( 5.048 2.473 2.848) 6.301 54.857 ( -2.316 8.099 -4.338) 9.475 ======================= Grid point 196 (68/85) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -24.179 -8.683 1.479) 25.733 2.709 ( -17.569 -6.708 34.991) 39.725 3.525 ( 14.585 -1.929 -8.440) 16.960 3.909 ( -24.221 -3.527 6.810) 25.406 4.297 ( 9.742 -0.693 -8.460) 12.921 4.440 ( 1.588 3.741 3.953) 5.669 4.720 ( 3.385 -14.375 6.280) 16.048 5.150 ( 0.620 -3.942 -17.550) 17.998 5.593 ( -12.685 5.747 3.396) 14.334 6.075 ( 0.676 -1.552 1.472) 2.243 6.122 ( 2.075 2.476 0.437) 3.260 6.275 ( 2.137 -3.424 -0.288) 4.046 6.409 ( -4.853 3.851 -2.761) 6.782 6.725 ( 3.767 -2.491 3.983) 6.022 7.199 ( -8.631 -0.483 0.447) 8.656 7.681 ( -2.514 -4.447 4.030) 6.507 8.765 ( 7.965 -6.976 7.372) 12.901 8.804 ( -6.630 -7.850 -10.694) 14.830 9.216 ( -8.905 10.092 0.820) 13.484 9.564 ( -3.273 13.140 7.973) 15.715 10.476 ( 21.554 5.425 -11.008) 24.802 10.529 ( 23.305 10.037 -8.243) 26.680 11.513 ( -2.723 0.823 -6.452) 7.052 11.608 ( 7.355 -1.708 3.217) 8.208 11.828 ( -0.940 5.287 -1.071) 5.475 12.266 ( 15.683 5.917 -7.168) 18.230 12.375 ( -4.824 0.255 0.416) 4.849 12.447 ( 2.458 1.994 4.218) 5.274 13.800 ( -1.847 -1.381 4.271) 4.854 14.094 ( -2.514 -3.216 -10.908) 11.647 15.493 ( 3.068 0.107 6.828) 7.487 15.639 ( 2.176 -1.270 5.791) 6.315 15.691 ( -1.110 0.861 -0.792) 1.612 15.913 ( -5.743 -0.569 -10.550) 12.026 16.472 ( 0.899 1.428 3.238) 3.651 16.608 ( 4.300 1.974 1.497) 4.963 21.226 ( -5.949 -1.693 -1.075) 6.278 21.387 ( 2.803 -1.313 1.689) 3.526 22.149 ( -3.697 -2.087 -0.634) 4.293 22.240 ( 0.620 -3.814 0.801) 3.946 22.449 ( -3.190 -0.092 4.372) 5.413 22.500 ( -5.485 -0.295 1.633) 5.730 22.958 ( -1.322 -1.854 0.109) 2.280 23.117 ( -3.004 0.457 0.188) 3.045 23.184 ( 4.648 2.760 -3.153) 6.258 23.356 ( 4.098 1.139 -0.917) 4.352 23.764 ( -1.562 -0.868 5.803) 6.072 23.979 ( -0.274 -0.409 -1.977) 2.037 23.993 ( -0.228 -0.109 2.535) 2.548 24.062 ( -0.534 -0.793 -0.003) 0.956 24.073 ( -0.824 0.002 -0.950) 1.258 24.124 ( -0.322 0.014 -3.054) 3.071 24.848 ( -2.507 -0.661 -1.202) 2.858 24.890 ( 1.835 0.097 1.429) 2.328 46.431 ( -29.156 -18.490 5.721) 34.995 46.636 ( -33.346 -13.733 -2.312) 36.137 47.050 ( -4.176 -28.979 12.567) 31.861 47.238 ( -3.904 -19.996 10.582) 22.958 47.728 ( -29.981 9.895 20.182) 37.471 48.798 ( -6.172 3.601 -3.391) 7.910 54.013 ( 10.737 -4.420 -0.184) 11.612 54.303 ( 8.041 -2.107 -11.343) 14.063 54.386 ( -4.376 9.366 -6.687) 12.313 54.626 ( 9.217 3.359 6.174) 11.591 54.820 ( -3.149 6.147 -4.924) 8.482 54.890 ( 5.443 2.311 5.930) 8.374 ======================= Grid point 202 (69/85) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -0.000 -12.566 15.898) 20.265 2.991 ( -0.000 -5.985 9.894) 11.563 3.390 ( -0.000 2.909 20.602) 20.806 3.751 ( 0.000 -14.093 -4.896) 14.919 4.577 ( -0.000 4.930 5.260) 7.209 4.733 ( 0.000 9.379 -4.217) 10.283 5.142 ( 0.000 -26.364 -4.241) 26.703 5.770 ( 0.000 -4.891 -0.318) 4.901 5.879 ( 0.000 2.716 -1.629) 3.167 6.007 ( -0.000 1.244 0.711) 1.432 6.011 ( 0.000 -7.268 -1.356) 7.393 6.492 ( 0.000 0.650 -5.935) 5.970 6.532 ( -0.000 5.032 2.022) 5.423 6.878 ( 0.000 -4.130 -2.957) 5.079 6.879 ( -0.000 2.286 9.397) 9.671 7.814 ( 0.000 13.751 -8.264) 16.044 8.306 ( -0.000 5.508 11.608) 12.849 8.980 ( 0.000 11.442 -2.477) 11.707 9.313 ( -0.000 6.386 3.147) 7.120 9.414 ( 0.000 5.411 -0.756) 5.464 9.934 ( 0.000 -7.771 -17.857) 19.474 10.003 ( 0.000 -4.636 -10.982) 11.921 11.262 ( -0.000 -4.137 3.311) 5.299 11.675 ( 0.000 0.352 -0.292) 0.457 11.687 ( 0.000 2.304 -4.545) 5.096 11.951 ( 0.000 0.097 -5.279) 5.280 12.125 ( -0.000 9.449 1.426) 9.556 12.374 ( 0.000 10.893 -3.127) 11.333 13.851 ( -0.000 -4.373 3.956) 5.897 14.401 ( 0.000 -7.821 -1.113) 7.900 15.178 ( -0.000 0.008 6.586) 6.586 15.282 ( -0.000 3.643 7.220) 8.087 15.988 ( 0.000 -5.370 -4.792) 7.198 16.284 ( 0.000 3.237 -6.294) 7.077 16.378 ( 0.000 1.707 -1.029) 1.993 16.503 ( 0.000 0.265 -0.695) 0.744 21.317 ( -0.000 -4.347 2.916) 5.234 21.535 ( 0.000 -2.617 -1.496) 3.014 22.200 ( -0.000 -4.377 3.271) 5.464 22.388 ( -0.000 -1.851 0.825) 2.027 22.421 ( -0.000 6.087 4.011) 7.290 22.619 ( 0.000 3.436 -0.582) 3.485 23.007 ( -0.000 -2.458 0.739) 2.567 23.115 ( 0.000 -2.832 -3.116) 4.210 23.144 ( -0.000 1.098 0.104) 1.103 23.255 ( 0.000 2.717 -1.947) 3.342 23.746 ( -0.000 -2.500 2.639) 3.635 23.891 ( -0.000 0.994 2.212) 2.425 24.029 ( -0.000 1.056 1.412) 1.763 24.055 ( 0.000 0.712 -0.878) 1.131 24.150 ( 0.000 -1.478 -2.398) 2.817 24.201 ( 0.000 0.154 -1.078) 1.089 24.783 ( -0.000 0.171 2.652) 2.658 24.952 ( 0.000 -0.225 -0.898) 0.926 47.087 ( -0.000 -23.774 23.188) 33.210 47.148 ( -0.000 -24.636 21.892) 32.958 47.932 ( -0.000 -0.755 10.394) 10.421 48.227 ( -0.000 -12.268 3.609) 12.788 48.664 ( -0.000 5.925 1.975) 6.246 49.144 ( -0.000 10.421 1.608) 10.544 53.536 ( -0.000 -10.585 1.498) 10.690 53.901 ( -0.000 -1.981 2.695) 3.344 54.138 ( 0.000 -3.397 -2.585) 4.269 54.445 ( 0.000 9.646 -2.428) 9.947 54.620 ( 0.000 5.349 -2.437) 5.878 54.871 ( 0.000 11.509 -3.352) 11.988 ======================= Grid point 203 (70/85) ======================= q-point: (-0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 1.980 -11.178 27.273) 29.541 3.035 ( -0.446 -8.423 9.129) 12.429 3.514 ( -9.451 -5.217 0.210) 10.797 3.718 ( 8.503 0.243 12.762) 15.338 4.593 ( -2.633 -3.480 0.547) 4.398 4.698 ( -6.887 8.044 -6.469) 12.409 4.865 ( -2.150 -23.126 -5.930) 23.971 5.632 ( -5.485 -9.435 -8.801) 14.020 5.902 ( 1.629 2.550 -0.967) 3.177 5.973 ( -3.146 0.685 -1.218) 3.443 5.997 ( 1.634 -0.951 2.083) 2.813 6.412 ( -1.114 0.317 -7.944) 8.028 6.576 ( -1.160 2.650 1.136) 3.108 6.712 ( -10.070 0.844 0.094) 10.105 7.105 ( 10.200 -3.479 8.278) 13.589 7.782 ( -1.807 9.437 -8.618) 12.907 8.487 ( -1.345 5.615 11.254) 12.649 9.094 ( 6.580 5.748 -6.155) 10.688 9.342 ( -6.092 12.563 5.855) 15.140 9.566 ( 4.846 8.269 1.265) 9.667 9.707 ( 4.340 -5.274 -12.121) 13.913 9.903 ( 6.988 -2.342 -8.426) 11.195 11.303 ( 3.812 -4.091 5.008) 7.507 11.657 ( -1.111 1.308 -2.212) 2.800 11.720 ( 6.287 2.962 -2.052) 7.246 11.892 ( -2.290 4.286 -4.279) 6.475 12.229 ( 3.103 6.433 1.777) 7.360 12.430 ( -0.094 10.901 -2.999) 11.307 13.860 ( -1.293 -4.766 5.619) 7.480 14.295 ( -0.502 -8.024 -5.448) 9.712 15.277 ( 1.812 -0.875 8.896) 9.121 15.410 ( 0.875 2.160 10.209) 10.472 15.879 ( -1.019 -3.457 -6.938) 7.819 16.197 ( -2.310 2.818 -9.939) 10.586 16.402 ( 0.509 1.979 1.552) 2.566 16.506 ( 0.504 0.721 -0.063) 0.882 21.315 ( 0.603 -4.539 2.420) 5.179 21.477 ( -2.773 -2.234 -1.783) 3.982 22.201 ( 0.441 -5.022 3.019) 5.876 22.359 ( -2.795 -1.593 -0.242) 3.226 22.496 ( -1.643 4.818 3.345) 6.091 22.631 ( -0.118 2.360 -1.345) 2.719 22.991 ( -0.093 -2.444 0.106) 2.448 23.069 ( 0.896 -1.877 -2.493) 3.247 23.163 ( 1.763 0.828 -0.018) 1.948 23.254 ( -0.528 2.834 -1.637) 3.315 23.765 ( -0.830 -1.906 4.892) 5.315 23.935 ( 0.557 0.391 3.601) 3.665 24.042 ( -0.731 0.353 -0.920) 1.227 24.051 ( 0.109 0.878 0.221) 0.912 24.106 ( 0.580 -1.270 -3.682) 3.938 24.180 ( -0.455 0.143 -2.218) 2.269 24.815 ( 0.579 -0.324 2.428) 2.517 24.935 ( -0.711 -0.116 -1.059) 1.281 47.110 ( -2.835 -27.294 20.146) 34.042 47.145 ( -2.259 -27.579 18.363) 33.210 47.883 ( -12.285 -8.660 1.935) 15.154 48.053 ( -14.455 -10.728 -0.137) 18.002 48.618 ( -14.132 4.318 0.279) 14.780 49.104 ( -3.754 3.034 -11.786) 12.736 53.579 ( 5.348 -5.437 9.872) 12.474 53.994 ( 9.003 -0.922 4.435) 10.078 54.121 ( 4.616 -2.285 -2.285) 5.635 54.500 ( -0.227 10.009 -2.215) 10.254 54.644 ( 1.378 4.253 -1.437) 4.696 54.909 ( -1.116 10.433 -4.268) 11.328 ======================= Grid point 204 (71/85) ======================= q-point: (-0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 6.734 -12.150 24.078) 27.798 3.029 ( -9.799 -5.469 10.013) 15.039 3.354 ( -8.824 1.103 3.105) 9.419 3.962 ( 11.971 -4.518 1.221) 12.853 4.470 ( -9.021 2.606 -7.342) 11.919 4.546 ( -10.574 3.465 -8.061) 13.740 4.650 ( 1.754 -25.996 11.342) 28.417 5.289 ( -9.951 -7.319 -18.453) 22.206 5.879 ( -6.772 2.259 1.832) 7.370 5.978 ( 5.133 0.061 -2.805) 5.849 6.070 ( 2.407 0.970 4.635) 5.312 6.291 ( -2.884 -0.639 -7.081) 7.673 6.563 ( -5.761 2.973 1.137) 6.582 6.633 ( 0.590 -1.216 -1.727) 2.194 7.301 ( 4.573 -3.364 12.382) 13.621 7.720 ( -2.178 7.014 -10.368) 12.706 8.595 ( 0.118 -5.256 10.071) 11.360 8.988 ( -4.947 -4.819 -12.563) 14.336 9.458 ( -6.291 16.685 8.414) 19.717 9.684 ( -2.330 11.855 4.308) 12.827 9.803 ( 19.891 5.396 -5.656) 21.372 9.986 ( 17.026 2.386 -8.117) 19.013 11.406 ( 6.171 -3.372 5.689) 9.045 11.601 ( -3.163 1.212 -4.400) 5.553 11.843 ( 5.948 5.457 -0.910) 8.123 11.889 ( 3.697 6.775 -2.723) 8.185 12.349 ( 4.405 3.124 3.196) 6.275 12.462 ( -1.715 7.948 -2.952) 8.650 13.866 ( -2.401 -4.186 6.374) 7.995 14.144 ( -1.120 -6.565 -8.538) 10.828 15.405 ( 2.670 -1.462 9.579) 10.051 15.569 ( 1.985 0.090 12.276) 12.436 15.752 ( -1.970 -1.021 -8.232) 8.526 16.047 ( -3.672 1.927 -12.396) 13.071 16.453 ( 0.459 2.296 3.160) 3.933 16.528 ( 1.691 1.261 -0.189) 2.118 21.321 ( 1.762 -4.101 1.975) 4.881 21.387 ( -4.961 -1.419 -1.844) 5.479 22.200 ( 0.469 -5.012 2.791) 5.756 22.283 ( -4.113 -1.938 -1.786) 4.885 22.530 ( -2.546 2.106 3.134) 4.554 22.615 ( -1.645 0.213 -1.352) 2.140 22.977 ( -0.357 -1.111 0.911) 1.480 23.052 ( 2.512 -0.466 -3.065) 3.990 23.201 ( 0.545 1.800 1.090) 2.174 23.254 ( 1.226 1.826 -1.756) 2.814 23.802 ( -1.134 -1.269 6.173) 6.403 23.985 ( 0.136 -0.084 3.098) 3.102 24.001 ( -0.735 -0.891 -2.933) 3.152 24.062 ( 0.363 -0.002 0.289) 0.464 24.075 ( 0.525 0.312 -2.207) 2.290 24.142 ( -0.773 0.095 -3.027) 3.125 24.848 ( 1.118 -0.727 2.002) 2.405 24.906 ( -1.502 -0.039 -1.279) 1.973 47.015 ( -8.114 -29.569 17.187) 35.151 47.089 ( -2.151 -27.485 15.494) 31.625 47.522 ( -19.888 -15.541 -6.147) 25.978 47.591 ( -27.902 -15.017 -10.844) 33.490 48.460 ( -20.132 6.403 9.894) 23.328 48.912 ( -0.904 -1.537 -13.960) 14.074 53.761 ( 6.272 -1.675 10.239) 12.123 54.072 ( 6.980 -4.120 -7.048) 10.741 54.290 ( 12.390 3.219 7.863) 15.023 54.524 ( -3.138 11.198 -5.023) 12.668 54.721 ( 5.424 1.939 3.451) 6.715 54.907 ( -2.452 8.844 -5.433) 10.665 ======================= Grid point 205 (72/85) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( -20.739 0.007 2.195) 20.855 3.118 ( 11.009 -11.597 7.138) 17.511 3.376 ( -14.400 0.765 18.558) 23.502 3.900 ( 9.894 -10.532 -25.220) 29.067 4.248 ( -16.827 -1.867 4.593) 17.542 4.431 ( 3.801 -6.527 0.867) 7.603 4.750 ( 1.231 -5.943 17.127) 18.170 4.923 ( -1.125 -1.243 -18.761) 18.836 5.834 ( -8.719 3.665 5.233) 10.809 6.002 ( 4.617 -1.943 -3.930) 6.366 6.152 ( -0.263 0.387 2.719) 2.759 6.198 ( 1.544 -1.384 -2.907) 3.570 6.514 ( -6.356 3.089 1.276) 7.181 6.645 ( 5.538 -5.016 -0.378) 7.482 7.397 ( -10.846 4.021 6.143) 13.097 7.624 ( 4.654 -6.263 -4.237) 8.879 8.670 ( 4.399 -9.657 7.946) 13.257 8.699 ( -7.048 -8.053 -10.829) 15.225 9.576 ( -13.306 18.811 9.645) 24.979 9.850 ( -2.993 18.792 9.289) 21.175 10.050 ( 23.165 1.847 -11.435) 25.900 10.195 ( 20.902 7.368 -9.367) 24.061 11.501 ( -4.165 2.469 -6.135) 7.816 11.534 ( 6.562 -2.513 4.705) 8.456 11.902 ( -2.193 8.947 0.414) 9.222 12.046 ( 12.692 3.841 -3.411) 13.692 12.437 ( -3.426 2.689 -1.954) 4.773 12.463 ( 3.377 0.190 3.706) 5.018 13.877 ( -2.461 -2.347 6.723) 7.534 13.980 ( -1.586 -3.777 -9.104) 9.983 15.536 ( 2.193 -1.118 7.993) 8.364 15.594 ( -1.957 -0.388 -7.640) 7.896 15.773 ( 3.110 -0.931 12.874) 13.277 15.857 ( -4.603 1.165 -12.664) 13.524 16.515 ( 0.326 2.518 3.000) 3.930 16.567 ( 3.377 1.648 -1.487) 4.041 21.285 ( -5.677 -0.279 -1.363) 5.845 21.344 ( 3.061 -3.538 1.536) 4.924 22.177 ( -4.012 -1.860 -1.000) 4.534 22.208 ( 0.725 -4.405 1.123) 4.603 22.533 ( -2.810 -1.275 3.308) 4.524 22.561 ( -2.964 -1.734 -0.805) 3.527 22.983 ( -1.504 1.140 1.999) 2.749 23.062 ( 4.283 0.214 -3.491) 5.529 23.213 ( -2.890 3.390 0.939) 4.552 23.290 ( 4.453 0.043 -1.063) 4.579 23.847 ( -1.466 -0.903 6.342) 6.571 23.927 ( -0.170 -1.201 -5.664) 5.793 24.029 ( -0.070 0.120 3.059) 3.062 24.058 ( 0.155 0.047 -1.138) 1.150 24.081 ( 0.259 -0.327 1.405) 1.465 24.095 ( -0.907 0.031 -3.117) 3.246 24.865 ( -2.227 0.122 -1.381) 2.623 24.879 ( 1.589 -0.958 1.488) 2.379 46.727 ( -27.332 -18.422 2.904) 33.089 46.913 ( -26.098 -16.638 -11.908) 33.162 46.970 ( -6.175 -26.886 11.771) 29.992 47.154 ( 0.254 -27.899 5.632) 28.463 48.396 ( -21.010 6.998 18.988) 29.170 48.774 ( 3.106 -3.102 -9.878) 10.809 53.911 ( 3.291 -0.154 4.704) 5.743 54.035 ( 6.474 -2.242 -10.482) 12.523 54.482 ( -5.132 11.397 -5.344) 13.594 54.573 ( 11.101 1.947 5.650) 12.607 54.862 ( -3.258 7.246 -5.567) 9.701 54.890 ( 6.903 1.624 6.133) 9.375 ======================= Grid point 212 (73/85) ======================= q-point: (-0.44 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -0.000 -18.151 20.208) 27.163 3.145 ( -0.000 -2.194 15.609) 15.762 3.583 ( -0.000 -2.586 5.471) 6.051 3.742 ( -0.000 -2.259 2.655) 3.486 4.560 ( 0.000 -2.324 -6.795) 7.182 4.614 ( 0.000 -20.832 1.407) 20.879 4.741 ( 0.000 3.100 -8.983) 9.503 5.505 ( 0.000 -10.179 -9.202) 13.722 5.859 ( 0.000 0.411 -4.592) 4.611 5.980 ( 0.000 0.036 -1.259) 1.260 6.030 ( -0.000 1.121 4.874) 5.001 6.332 ( 0.000 2.060 -8.339) 8.590 6.558 ( 0.000 -1.941 -3.405) 3.919 6.837 ( -0.000 2.299 -0.136) 2.303 7.080 ( -0.000 -3.218 8.918) 9.481 7.767 ( 0.000 6.587 -5.470) 8.562 8.668 ( -0.000 4.144 8.026) 9.032 9.043 ( 0.000 8.012 -6.459) 10.291 9.438 ( 0.000 -7.816 -12.432) 14.685 9.580 ( -0.000 4.797 0.609) 4.835 9.636 ( -0.000 17.352 8.054) 19.130 9.812 ( -0.000 5.128 0.971) 5.220 11.313 ( -0.000 -3.904 7.033) 8.044 11.647 ( 0.000 4.091 -3.639) 5.475 11.695 ( -0.000 1.237 0.926) 1.545 11.913 ( 0.000 7.389 -2.697) 7.865 12.265 ( -0.000 4.712 1.249) 4.875 12.484 ( 0.000 10.891 -3.936) 11.580 13.904 ( -0.000 -5.496 7.668) 9.434 14.159 ( 0.000 -8.203 -7.293) 10.976 15.366 ( -0.000 -1.942 10.626) 10.803 15.541 ( -0.000 0.169 12.241) 12.243 15.780 ( 0.000 -1.461 -8.320) 8.447 16.101 ( 0.000 2.922 -13.610) 13.920 16.447 ( -0.000 2.788 3.232) 4.269 16.506 ( 0.000 1.131 -0.724) 1.342 21.296 ( -0.000 -5.280 2.128) 5.693 21.462 ( 0.000 -1.389 -1.820) 2.290 22.191 ( -0.000 -5.082 2.829) 5.816 22.363 ( 0.000 -1.795 -0.793) 1.962 22.557 ( -0.000 1.837 0.256) 1.855 22.624 ( 0.000 2.152 -2.418) 3.237 22.987 ( -0.000 -1.139 1.669) 2.021 23.027 ( 0.000 -1.394 -1.494) 2.043 23.150 ( 0.000 0.214 -0.226) 0.311 23.267 ( 0.000 3.316 -1.194) 3.525 23.820 ( -0.000 -1.646 6.195) 6.410 23.980 ( -0.000 0.277 4.363) 4.372 24.021 ( 0.000 -2.202 -4.487) 4.998 24.051 ( 0.000 0.691 -0.599) 0.914 24.063 ( 0.000 0.948 -1.238) 1.559 24.154 ( 0.000 0.138 -3.053) 3.056 24.832 ( -0.000 -1.051 2.198) 2.436 24.927 ( 0.000 0.213 -1.313) 1.330 47.100 ( -0.000 -31.365 13.406) 34.110 47.104 ( -0.000 -30.863 16.720) 35.101 47.879 ( 0.000 -11.153 -3.904) 11.817 48.054 ( 0.000 -11.487 -3.826) 12.107 48.744 ( -0.000 2.358 -0.094) 2.360 48.883 ( 0.000 -6.460 -26.471) 27.248 53.687 ( -0.000 0.124 17.521) 17.522 53.980 ( -0.000 -0.719 6.128) 6.170 54.058 ( 0.000 -0.218 -1.455) 1.471 54.558 ( 0.000 8.742 -1.309) 8.839 54.649 ( 0.000 4.529 -1.945) 4.929 54.942 ( 0.000 9.321 -5.475) 10.810 ======================= Grid point 213 (74/85) ======================= q-point: (-0.33 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 6.480 -19.132 9.907) 22.498 3.243 ( -6.958 3.463 5.037) 9.261 3.630 ( 3.332 -10.593 -7.370) 13.328 3.701 ( -4.238 -2.349 15.048) 15.809 4.381 ( 0.831 -3.409 -13.932) 14.367 4.603 ( -5.501 4.921 -10.313) 12.682 4.650 ( 2.211 -16.899 21.010) 27.053 5.211 ( -13.417 -7.561 -13.312) 20.357 5.830 ( 6.914 -4.004 -6.087) 10.044 5.980 ( -1.894 2.530 2.208) 3.855 6.108 ( 1.148 0.177 5.748) 5.865 6.252 ( -2.223 2.807 -6.736) 7.629 6.510 ( 2.972 -3.153 -4.040) 5.924 6.748 ( -9.765 2.785 -1.023) 10.205 7.252 ( 12.488 -5.717 7.144) 15.481 7.735 ( -5.469 6.315 -4.907) 9.688 8.709 ( -5.298 -5.688 8.776) 11.723 8.929 ( -8.518 0.655 -10.061) 13.199 9.398 ( 17.212 -2.646 -8.350) 19.313 9.661 ( 12.554 4.781 -4.889) 14.296 9.875 ( -4.072 20.039 8.514) 22.150 9.961 ( -1.869 16.413 10.399) 19.520 11.391 ( 3.026 -3.223 7.554) 8.753 11.616 ( -3.299 3.446 -3.838) 6.123 11.766 ( 6.106 3.061 0.792) 6.876 11.959 ( -1.538 10.799 0.201) 10.910 12.340 ( 3.836 2.575 1.889) 4.991 12.502 ( -1.080 7.040 -4.657) 8.510 13.943 ( -1.604 -5.142 8.750) 10.275 14.009 ( -0.530 -6.374 -7.741) 10.042 15.478 ( 1.225 -2.758 10.613) 11.034 15.655 ( -1.823 -0.353 -2.800) 3.359 15.702 ( 1.935 -0.786 7.044) 7.347 15.947 ( -1.740 2.696 -14.976) 15.316 16.509 ( 0.968 1.473 -1.762) 2.492 16.511 ( 0.056 3.465 3.205) 4.721 21.283 ( 1.174 -5.307 1.796) 5.724 21.414 ( -2.835 -0.322 -1.818) 3.383 22.184 ( 0.391 -4.948 2.517) 5.565 22.305 ( -3.792 -1.908 -1.864) 4.636 22.559 ( 1.670 -0.237 -2.020) 2.632 22.598 ( -0.896 -1.534 -1.835) 2.554 22.996 ( -0.076 -1.477 -0.167) 1.488 23.020 ( -0.689 2.505 1.895) 3.216 23.169 ( 3.243 -0.509 -0.305) 3.296 23.279 ( -1.226 3.752 -0.214) 3.953 23.876 ( -0.562 -1.148 6.395) 6.521 23.937 ( -0.356 -2.148 -6.022) 6.404 24.030 ( -0.019 0.339 3.436) 3.453 24.050 ( 0.168 0.206 -0.963) 0.999 24.066 ( 0.589 0.251 0.382) 0.746 24.116 ( -0.440 0.099 -3.187) 3.219 24.848 ( 0.606 -1.597 1.819) 2.495 24.908 ( -0.825 0.529 -1.520) 1.809 46.956 ( -0.688 -33.906 8.918) 35.066 47.018 ( 0.942 -32.759 12.776) 35.175 47.578 ( -19.260 -14.189 -10.322) 26.054 47.710 ( -21.316 -13.528 -10.990) 27.535 48.557 ( 10.784 -12.406 -25.888) 30.666 48.735 ( -3.557 1.404 3.895) 5.458 53.897 ( -1.878 3.229 16.441) 16.860 53.971 ( -2.616 0.339 -1.734) 3.157 54.213 ( 12.961 1.738 6.643) 14.668 54.596 ( -2.009 10.878 -4.985) 12.133 54.699 ( 4.685 1.376 3.146) 5.808 54.933 ( -1.350 7.909 -6.554) 10.360 ======================= Grid point 222 (75/85) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -0.000 -23.927 5.061) 24.457 3.197 ( 0.000 -19.042 -28.335) 34.139 3.410 ( -0.000 11.668 5.193) 12.771 4.060 ( -0.000 2.722 26.405) 26.545 4.129 ( 0.000 -15.939 -12.879) 20.492 4.537 ( 0.000 6.013 -14.516) 15.712 4.757 ( -0.000 -6.937 15.707) 17.170 5.193 ( 0.000 -6.864 -1.115) 6.954 5.620 ( 0.000 -7.811 -8.714) 11.702 6.041 ( -0.000 3.514 2.785) 4.484 6.138 ( 0.000 -1.484 -0.008) 1.484 6.264 ( -0.000 3.608 2.052) 4.150 6.409 ( 0.000 -1.850 -5.896) 6.179 6.807 ( 0.000 2.785 -5.993) 6.608 7.170 ( -0.000 -7.425 6.377) 9.788 7.772 ( 0.000 2.288 -4.204) 4.786 8.808 ( -0.000 -8.114 9.936) 12.828 8.930 ( 0.000 2.106 -9.609) 9.837 9.139 ( 0.000 -2.079 -5.415) 5.801 9.509 ( 0.000 1.351 -5.295) 5.465 10.224 ( -0.000 26.968 9.863) 28.715 10.238 ( -0.000 17.969 12.108) 21.667 11.435 ( -0.000 -2.837 7.731) 8.235 11.645 ( 0.000 5.030 -3.206) 5.965 11.753 ( -0.000 2.309 1.425) 2.713 12.094 ( -0.000 13.946 4.118) 14.541 12.343 ( -0.000 1.577 1.040) 1.889 12.493 ( 0.000 3.597 -5.766) 6.796 13.889 ( 0.000 -4.620 -6.168) 7.706 14.021 ( -0.000 -5.165 10.302) 11.524 15.544 ( -0.000 -2.034 2.579) 3.285 15.614 ( 0.000 0.877 -0.599) 1.062 15.790 ( -0.000 -0.319 0.647) 0.721 15.818 ( 0.000 -0.234 -3.753) 3.760 16.488 ( 0.000 1.604 -2.790) 3.219 16.571 ( -0.000 4.477 1.578) 4.747 21.248 ( -0.000 -5.837 1.516) 6.031 21.415 ( 0.000 0.731 -1.813) 1.955 22.168 ( -0.000 -4.715 1.948) 5.102 22.301 ( 0.000 -2.026 -1.533) 2.541 22.493 ( 0.000 0.069 -5.058) 5.058 22.554 ( 0.000 -5.392 -1.979) 5.744 22.983 ( 0.000 -2.112 0.104) 2.115 23.097 ( -0.000 5.165 3.835) 6.433 23.127 ( 0.000 -1.754 -0.833) 1.942 23.322 ( -0.000 4.162 0.557) 4.199 23.850 ( 0.000 -2.178 -6.399) 6.760 23.940 ( -0.000 -0.748 5.255) 5.308 24.027 ( 0.000 0.026 -2.380) 2.380 24.061 ( -0.000 -0.257 0.314) 0.406 24.083 ( -0.000 0.014 3.770) 3.770 24.088 ( 0.000 -0.208 -1.980) 1.991 24.847 ( -0.000 -2.216 1.537) 2.697 24.903 ( 0.000 1.092 -1.621) 1.954 46.741 ( 0.000 -34.869 1.523) 34.902 46.841 ( -0.000 -36.367 7.428) 37.118 47.538 ( 0.000 -12.548 -8.741) 15.292 47.638 ( 0.000 -16.455 -11.308) 19.966 47.949 ( 0.000 -19.107 -32.997) 38.130 48.751 ( -0.000 -2.588 1.240) 2.869 54.067 ( -0.000 7.216 -0.346) 7.225 54.142 ( -0.000 -0.238 8.646) 8.649 54.171 ( -0.000 4.188 16.422) 16.948 54.632 ( 0.000 10.398 -6.357) 12.187 54.706 ( -0.000 0.753 4.025) 4.095 54.923 ( 0.000 6.692 -7.041) 9.714 ======================= Grid point 273 (76/85) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 0.000 -0.000 -7.998) 7.998 2.973 ( -0.000 0.000 22.004) 22.004 2.973 ( -0.000 0.000 22.004) 22.004 4.338 ( -0.000 0.000 12.140) 12.140 4.356 ( -0.000 -0.000 -3.855) 3.855 4.356 ( 0.000 -0.000 -3.855) 3.855 5.810 ( -0.000 -0.000 -0.605) 0.605 5.810 ( 0.000 -0.000 -0.605) 0.605 5.855 ( -0.000 0.000 1.129) 1.129 5.855 ( 0.000 0.000 1.129) 1.129 6.391 ( -0.000 0.000 1.864) 1.864 6.391 ( -0.000 0.000 1.864) 1.864 6.534 ( -0.000 0.000 13.650) 13.650 6.774 ( 0.000 -0.000 -3.979) 3.979 6.774 ( 0.000 -0.000 -3.979) 3.979 7.435 ( -0.000 0.000 1.756) 1.756 8.283 ( -0.000 0.000 2.088) 2.088 8.735 ( 0.000 -0.000 -1.494) 1.494 9.288 ( 0.000 -0.000 -3.037) 3.037 9.288 ( 0.000 -0.000 -3.037) 3.037 10.258 ( 0.000 -0.000 -17.487) 17.487 10.258 ( 0.000 -0.000 -17.487) 17.487 11.294 ( -0.000 0.000 0.709) 0.709 11.710 ( 0.000 -0.000 -6.273) 6.273 11.784 ( -0.000 0.000 0.991) 0.991 11.784 ( 0.000 0.000 0.991) 0.991 12.147 ( 0.000 -0.000 -4.792) 4.792 12.147 ( 0.000 -0.000 -4.792) 4.792 13.893 ( -0.000 0.000 2.055) 2.055 14.519 ( -0.000 0.000 4.408) 4.408 15.120 ( -0.000 0.000 3.982) 3.982 15.120 ( -0.000 0.000 3.982) 3.982 16.213 ( 0.000 -0.000 -2.386) 2.386 16.213 ( 0.000 -0.000 -2.386) 2.386 16.379 ( 0.000 -0.000 -5.500) 5.500 16.516 ( 0.000 -0.000 -1.929) 1.929 21.357 ( -0.000 0.000 3.871) 3.871 21.605 ( 0.000 -0.000 -1.023) 1.023 22.242 ( -0.000 0.000 4.305) 4.305 22.242 ( -0.000 0.000 4.305) 4.305 22.488 ( -0.000 0.000 0.807) 0.807 22.488 ( 0.000 0.000 0.807) 0.807 23.065 ( -0.000 0.000 2.376) 2.376 23.065 ( -0.000 0.000 2.376) 2.376 23.226 ( 0.000 -0.000 -3.857) 3.857 23.226 ( 0.000 -0.000 -3.857) 3.857 23.817 ( -0.000 -0.000 0.192) 0.192 23.817 ( 0.000 0.000 0.192) 0.192 23.984 ( -0.000 0.000 2.907) 2.907 24.057 ( 0.000 -0.000 -0.981) 0.981 24.197 ( 0.000 -0.000 -0.137) 0.137 24.197 ( 0.000 0.000 -0.137) 0.137 24.742 ( -0.000 0.000 2.960) 2.960 24.969 ( 0.000 -0.000 -0.952) 0.952 47.288 ( -0.000 0.000 29.778) 29.778 47.288 ( -0.000 0.000 29.778) 29.778 47.713 ( -0.000 0.000 16.529) 16.529 48.555 ( -0.000 0.000 16.106) 16.106 48.555 ( -0.000 0.000 16.106) 16.106 48.591 ( -0.000 0.000 0.923) 0.923 53.893 ( 0.000 -0.000 -2.863) 2.863 53.893 ( 0.000 -0.000 -2.863) 2.863 54.232 ( 0.000 -0.000 -6.266) 6.266 54.232 ( 0.000 -0.000 -6.266) 6.266 54.556 ( 0.000 -0.000 -0.764) 0.764 54.661 ( 0.000 -0.000 -2.705) 2.705 ======================= Grid point 274 (77/85) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -4.652 -2.686 11.348) 12.555 3.070 ( -5.642 -3.257 16.925) 18.135 3.382 ( 9.654 5.574 21.545) 24.258 4.004 ( -17.853 -10.308 -4.987) 21.210 4.458 ( 2.952 1.704 0.624) 3.465 4.503 ( 7.178 4.144 -5.096) 9.730 5.621 ( -14.307 -8.260 0.588) 16.531 5.819 ( -0.775 -0.448 0.193) 0.916 5.845 ( 2.354 1.359 -1.428) 3.070 5.922 ( -0.907 -0.524 0.957) 1.419 6.327 ( -7.517 -4.340 -2.308) 8.981 6.392 ( -2.868 -1.656 4.549) 5.627 6.520 ( -5.082 -2.934 -6.048) 8.427 6.599 ( -2.721 -1.571 5.754) 6.556 7.086 ( 18.093 10.446 -0.057) 20.892 7.465 ( 1.602 0.925 -2.173) 2.853 8.308 ( -0.143 -0.082 5.837) 5.840 8.831 ( 13.407 7.741 -3.358) 15.841 9.177 ( -5.825 -3.363 2.214) 7.081 9.399 ( 8.518 4.918 -2.261) 10.092 10.027 ( -3.433 -1.982 -17.393) 17.839 10.074 ( 0.098 0.057 -13.397) 13.398 11.321 ( 1.644 0.949 2.034) 2.782 11.655 ( 0.923 0.533 -4.392) 4.519 11.714 ( -1.168 -0.674 -0.593) 1.473 11.938 ( 7.904 4.564 2.111) 9.368 11.979 ( -5.528 -3.191 -5.645) 8.521 12.218 ( 6.780 3.915 -3.823) 8.713 13.909 ( -1.956 -1.129 4.102) 4.683 14.508 ( -2.843 -1.641 -1.227) 3.504 15.195 ( 1.345 0.776 7.312) 7.475 15.212 ( 1.670 0.964 8.522) 8.737 16.093 ( -3.962 -2.287 -6.171) 7.682 16.205 ( 0.860 0.496 -5.849) 5.933 16.356 ( 1.480 0.854 -1.544) 2.303 16.500 ( 0.170 0.098 -1.044) 1.062 21.381 ( -1.495 -0.863 3.224) 3.657 21.570 ( -2.267 -1.309 -1.631) 3.085 22.283 ( -0.041 -0.024 3.783) 3.783 22.307 ( 0.570 0.329 4.677) 4.723 22.425 ( -3.619 -2.090 0.244) 4.186 22.557 ( 2.889 1.668 0.273) 3.347 23.048 ( -1.564 -0.903 0.804) 1.977 23.124 ( 2.129 1.229 0.914) 2.622 23.165 ( -0.991 -0.572 -3.468) 3.651 23.204 ( 0.791 0.457 -2.730) 2.879 23.788 ( -2.448 -1.414 2.507) 3.779 23.870 ( 1.874 1.082 2.418) 3.245 24.015 ( 0.533 0.307 1.647) 1.758 24.044 ( -0.141 -0.081 -1.006) 1.020 24.176 ( -0.454 -0.262 -2.053) 2.119 24.191 ( 0.042 0.024 -1.432) 1.432 24.781 ( 0.357 0.206 3.120) 3.147 24.954 ( -0.367 -0.212 -1.035) 1.118 47.486 ( -10.256 -5.921 26.535) 29.058 47.520 ( -9.885 -5.707 26.722) 29.058 47.878 ( -3.521 -2.033 15.751) 16.268 48.331 ( -19.954 -11.520 8.288) 24.486 48.653 ( -2.058 -1.188 -3.533) 4.258 48.890 ( 8.146 4.703 7.364) 11.946 53.758 ( -4.813 -2.779 -0.715) 5.603 53.935 ( 1.928 1.113 2.914) 3.667 54.223 ( 5.653 3.263 -6.683) 9.342 54.229 ( 5.320 3.071 -4.825) 7.811 54.567 ( 1.641 0.947 0.036) 1.895 54.675 ( 3.538 2.043 -2.416) 4.746 ======================= Grid point 275 (78/85) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -5.706 -3.295 27.982) 28.747 3.163 ( -0.763 -0.440 10.038) 10.077 3.593 ( -19.493 -11.254 -6.366) 23.392 3.804 ( 9.795 5.655 21.000) 23.852 4.441 ( 1.024 0.591 -10.072) 10.141 4.489 ( -1.745 -1.007 -5.955) 6.287 5.337 ( -17.033 -9.834 2.027) 19.772 5.774 ( -4.677 -2.700 -5.864) 7.972 5.825 ( -5.928 -3.423 -1.016) 6.920 5.912 ( 3.758 2.169 -0.270) 4.347 6.112 ( -7.806 -4.507 -2.061) 9.246 6.392 ( -4.460 -2.575 6.546) 8.329 6.416 ( 0.918 0.530 -9.408) 9.467 6.630 ( 0.381 0.220 4.200) 4.223 7.383 ( 12.718 7.343 2.743) 14.940 7.423 ( -1.739 -1.004 -4.130) 4.592 8.457 ( 6.048 3.492 10.553) 12.655 9.079 ( 15.482 8.938 -8.904) 19.972 9.121 ( -4.114 -2.375 5.355) 7.159 9.493 ( 2.576 1.487 -1.416) 3.294 9.799 ( 0.650 0.375 -12.709) 12.731 9.999 ( 7.066 4.080 -10.008) 12.913 11.402 ( 3.727 2.152 3.211) 5.370 11.627 ( -0.541 -0.313 -2.308) 2.391 11.749 ( 6.975 4.027 -2.560) 8.452 11.827 ( -3.680 -2.125 -5.396) 6.868 12.111 ( 7.648 4.416 2.779) 9.258 12.302 ( 5.896 3.404 -2.391) 7.216 13.913 ( -3.612 -2.085 5.631) 7.007 14.400 ( -4.106 -2.371 -6.225) 7.825 15.317 ( 1.660 0.958 8.824) 9.030 15.370 ( 2.549 1.472 12.342) 12.688 15.934 ( -3.888 -2.245 -8.934) 9.999 16.126 ( -0.477 -0.275 -8.813) 8.830 16.381 ( 1.377 0.795 1.068) 1.915 16.501 ( 0.806 0.466 -0.286) 0.974 21.385 ( -1.537 -0.888 2.706) 3.236 21.486 ( -4.352 -2.512 -2.085) 5.440 22.308 ( -1.677 -0.968 2.794) 3.399 22.361 ( -2.998 -1.731 -0.605) 3.514 22.370 ( 0.362 0.209 4.970) 4.988 22.597 ( 1.005 0.580 0.274) 1.192 23.029 ( -0.655 -0.378 -0.491) 0.902 23.113 ( -0.574 -0.331 -3.142) 3.211 23.153 ( 0.483 0.279 -0.391) 0.680 23.209 ( 2.440 1.409 -1.156) 3.045 23.786 ( -2.195 -1.267 4.766) 5.398 23.935 ( 1.171 0.676 3.722) 3.960 24.027 ( -0.524 -0.303 -0.992) 1.162 24.040 ( 0.782 0.451 0.703) 1.145 24.135 ( -0.389 -0.224 -3.655) 3.683 24.167 ( -0.225 -0.130 -2.458) 2.472 24.823 ( 0.585 0.338 2.810) 2.890 24.931 ( -0.851 -0.491 -1.181) 1.537 47.538 ( -12.815 -7.399 21.122) 25.789 47.547 ( -18.079 -10.438 22.032) 30.351 47.916 ( -11.375 -6.568 16.633) 21.194 48.025 ( -22.757 -13.139 7.050) 27.207 48.384 ( -16.879 -9.745 -11.301) 22.530 48.970 ( -0.211 -0.122 -5.068) 5.074 53.764 ( 2.333 1.347 5.571) 6.188 54.077 ( 7.492 4.326 6.796) 11.002 54.254 ( 5.301 3.061 -6.997) 9.297 54.268 ( 5.915 3.415 -7.699) 10.292 54.621 ( 3.448 1.991 1.503) 4.255 54.712 ( 3.312 1.912 -2.868) 4.781 ======================= Grid point 276 (79/85) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( -7.155 -4.131 36.351) 37.278 3.124 ( -20.809 -12.014 -3.796) 24.327 3.293 ( 5.017 2.897 -0.869) 5.858 4.203 ( 8.482 4.897 17.961) 20.458 4.288 ( 0.855 0.494 -18.994) 19.020 4.327 ( -9.933 -5.735 -1.094) 11.522 5.057 ( -14.728 -8.503 -0.403) 17.011 5.456 ( -12.260 -7.078 -14.349) 20.157 5.695 ( -7.671 -4.429 2.243) 9.138 5.992 ( 4.419 2.551 -0.685) 5.148 6.089 ( 0.562 0.324 4.956) 4.998 6.320 ( 1.152 0.665 -10.631) 10.714 6.385 ( -3.397 -1.961 6.050) 7.210 6.703 ( 1.533 0.885 5.458) 5.738 7.324 ( -3.856 -2.226 -4.427) 6.279 7.623 ( 8.251 4.764 4.788) 10.663 8.721 ( 7.437 4.294 11.262) 14.162 9.034 ( -4.285 -2.474 -7.789) 9.228 9.139 ( -1.040 -0.601 -1.163) 1.672 9.481 ( -2.149 -1.241 1.747) 3.034 9.897 ( 19.743 11.399 -6.577) 23.727 10.090 ( 13.590 7.846 -10.000) 18.608 11.521 ( 4.650 2.685 3.641) 6.488 11.559 ( -2.373 -1.370 -5.461) 6.110 11.746 ( 0.397 0.229 -2.676) 2.715 11.902 ( 11.819 6.824 -2.577) 13.889 12.271 ( 6.018 3.474 2.056) 7.247 12.381 ( 4.175 2.411 0.741) 4.878 13.903 ( -4.636 -2.676 6.162) 8.162 14.225 ( -4.735 -2.734 -9.725) 11.157 15.449 ( 1.492 0.861 9.146) 9.307 15.577 ( 3.019 1.743 14.803) 15.208 15.756 ( -3.401 -1.964 -10.401) 11.118 15.988 ( -1.910 -1.103 -11.488) 11.698 16.429 ( 1.351 0.780 2.806) 3.210 16.525 ( 2.113 1.220 -0.265) 2.454 21.369 ( -5.466 -3.156 -2.162) 6.672 21.392 ( -0.608 -0.351 2.268) 2.374 22.263 ( -4.277 -2.470 -0.516) 4.966 22.320 ( -1.779 -1.027 0.865) 2.228 22.433 ( 0.232 0.134 5.146) 5.152 22.597 ( -1.797 -1.037 0.996) 2.302 23.012 ( -0.717 -0.414 -0.600) 1.022 23.081 ( 1.531 0.884 -3.514) 3.933 23.145 ( -0.876 -0.506 0.022) 1.012 23.259 ( 3.708 2.141 -0.629) 4.327 23.812 ( -1.870 -1.080 6.182) 6.548 23.991 ( 0.340 0.196 3.574) 3.595 23.998 ( -0.848 -0.490 -2.321) 2.519 24.062 ( 0.733 0.423 0.854) 1.203 24.087 ( -0.289 -0.167 -3.307) 3.324 24.130 ( -0.324 -0.187 -3.243) 3.265 24.865 ( 0.780 0.451 2.265) 2.438 24.895 ( -1.427 -0.824 -1.417) 2.173 47.284 ( -28.575 -16.498 7.179) 33.767 47.442 ( -22.738 -13.128 6.824) 27.128 47.657 ( -19.376 -11.187 6.522) 23.305 47.903 ( -14.505 -8.374 25.270) 30.316 47.914 ( -19.699 -11.373 -3.509) 23.016 48.850 ( -3.203 -1.849 -6.661) 7.619 53.919 ( 5.861 3.384 5.550) 8.752 54.218 ( 2.143 1.237 -6.643) 7.089 54.257 ( 4.843 2.796 -12.246) 13.463 54.362 ( 10.893 6.289 6.564) 14.188 54.725 ( 2.039 1.177 -3.597) 4.299 54.740 ( 5.724 3.305 4.851) 8.199 ======================= Grid point 283 (80/85) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( -0.000 -5.593 25.192) 25.805 3.264 ( -0.000 -9.805 15.525) 18.363 3.565 ( -0.000 4.704 19.049) 19.621 3.942 ( 0.000 -17.789 -7.431) 19.278 4.421 ( 0.000 8.932 -7.080) 11.398 4.473 ( 0.000 12.495 -9.885) 15.932 5.595 ( -0.000 -23.505 3.030) 23.699 5.810 ( 0.000 -1.751 -0.415) 1.800 5.824 ( 0.000 1.944 -0.992) 2.183 5.968 ( 0.000 3.268 -1.293) 3.514 6.214 ( 0.000 -18.090 -0.926) 18.114 6.435 ( 0.000 -4.556 -6.813) 8.196 6.486 ( -0.000 5.153 3.523) 6.242 6.842 ( 0.000 4.588 -5.517) 7.175 6.912 ( -0.000 6.532 9.760) 11.744 7.489 ( 0.000 12.597 -6.403) 14.131 8.376 ( -0.000 1.308 7.655) 7.766 8.758 ( 0.000 9.800 -4.361) 10.727 9.277 ( -0.000 1.934 4.007) 4.449 9.358 ( -0.000 3.785 3.571) 5.204 9.840 ( 0.000 -4.676 -15.924) 16.596 9.910 ( 0.000 -0.437 -12.750) 12.757 11.336 ( -0.000 -0.149 3.212) 3.215 11.592 ( 0.000 2.148 -5.430) 5.840 11.710 ( -0.000 -4.820 1.478) 5.041 11.930 ( 0.000 -4.913 -5.189) 7.145 11.979 ( -0.000 10.876 2.445) 11.147 12.173 ( 0.000 9.098 -4.194) 10.019 13.968 ( -0.000 -2.638 6.429) 6.949 14.462 ( 0.000 -4.299 -5.759) 7.186 15.285 ( -0.000 -0.929 10.888) 10.927 15.338 ( -0.000 2.814 11.801) 12.132 15.996 ( 0.000 -5.054 -9.032) 10.350 16.132 ( 0.000 3.684 -10.316) 10.954 16.356 ( -0.000 1.194 1.640) 2.029 16.490 ( 0.000 0.327 -0.805) 0.869 21.410 ( -0.000 -2.748 2.831) 3.945 21.553 ( 0.000 -1.926 -2.024) 2.793 22.302 ( -0.000 -3.219 3.675) 4.885 22.386 ( -0.000 4.107 4.432) 6.043 22.433 ( 0.000 -3.077 -0.044) 3.078 22.552 ( 0.000 3.551 -1.210) 3.752 23.054 ( -0.000 -2.434 0.463) 2.478 23.120 ( 0.000 -2.258 -2.853) 3.638 23.123 ( -0.000 1.535 -0.043) 1.535 23.188 ( 0.000 2.659 -2.180) 3.439 23.830 ( -0.000 -2.636 4.596) 5.298 23.905 ( -0.000 1.719 4.079) 4.426 24.028 ( -0.000 0.564 0.672) 0.877 24.037 ( 0.000 0.326 -0.756) 0.823 24.138 ( 0.000 -1.415 -3.682) 3.944 24.171 ( 0.000 0.796 -2.834) 2.944 24.815 ( -0.000 0.004 3.129) 3.129 24.943 ( 0.000 -0.150 -1.249) 1.258 47.718 ( -0.000 -19.138 23.556) 30.351 47.781 ( -0.000 -18.586 24.155) 30.477 48.069 ( -0.000 -0.159 12.173) 12.174 48.490 ( 0.000 -16.568 0.652) 16.581 48.583 ( 0.000 4.676 -1.126) 4.810 48.956 ( 0.000 11.287 -3.781) 11.903 53.737 ( -0.000 -9.581 4.204) 10.463 53.952 ( -0.000 0.474 2.665) 2.707 54.130 ( 0.000 -0.027 -4.430) 4.430 54.203 ( 0.000 11.440 -4.893) 12.442 54.570 ( -0.000 1.484 0.634) 1.614 54.674 ( 0.000 7.350 -2.347) 7.715 ======================= Grid point 284 (81/85) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( -0.290 -7.874 30.614) 31.611 3.294 ( -4.674 -8.327 11.912) 15.267 3.633 ( -11.946 -11.915 -4.862) 17.559 3.871 ( 10.994 -1.697 11.173) 15.767 4.346 ( -1.984 10.595 -15.675) 19.024 4.459 ( -0.873 9.828 -9.515) 13.707 5.397 ( -6.219 -26.420 7.329) 28.115 5.703 ( -6.933 -10.210 -7.371) 14.375 5.861 ( 2.629 1.655 0.313) 3.122 5.925 ( -3.853 2.553 -2.334) 5.178 6.091 ( -0.120 -8.444 2.096) 8.702 6.311 ( -1.266 -0.688 -9.215) 9.327 6.568 ( -2.931 3.323 5.336) 6.935 6.694 ( -7.162 0.647 -0.783) 7.233 7.209 ( 14.166 1.371 6.423) 15.615 7.489 ( -2.097 13.156 -8.401) 15.750 8.533 ( 3.560 5.336 10.659) 12.440 8.865 ( 10.245 10.387 -8.079) 16.677 9.290 ( -7.137 3.339 7.257) 10.712 9.495 ( 3.083 3.870 3.889) 6.294 9.638 ( 1.653 -2.805 -11.385) 11.841 9.807 ( 4.864 0.803 -10.659) 11.743 11.399 ( 2.813 -0.179 4.619) 5.411 11.575 ( 2.146 2.830 -5.245) 6.334 11.703 ( 1.297 -1.502 1.651) 2.581 11.813 ( -3.669 -1.091 -4.626) 6.005 12.125 ( 4.054 9.371 2.889) 10.611 12.238 ( 4.303 8.260 -3.531) 9.960 14.009 ( -2.286 -3.846 8.045) 9.206 14.324 ( -2.011 -5.367 -8.668) 10.392 15.414 ( 0.814 -1.325 11.948) 12.049 15.514 ( 1.193 2.198 14.315) 14.532 15.834 ( -1.749 -3.349 -10.964) 11.597 16.021 ( -0.558 2.619 -13.119) 13.390 16.400 ( 0.662 1.398 3.003) 3.379 16.488 ( 0.643 0.739 -1.175) 1.530 21.410 ( -0.472 -3.462 2.556) 4.329 21.492 ( -2.687 -2.383 -2.266) 4.246 22.314 ( 0.531 -4.425 2.971) 5.357 22.382 ( -3.284 -2.017 -0.937) 3.967 22.462 ( -1.103 4.485 4.216) 6.254 22.576 ( 2.291 2.140 -2.019) 3.729 23.029 ( -1.132 -1.962 0.310) 2.286 23.073 ( -0.041 -2.115 -2.331) 3.148 23.148 ( 1.630 1.215 0.321) 2.058 23.188 ( 0.224 2.693 -1.774) 3.232 23.860 ( -1.308 -2.034 6.024) 6.491 23.973 ( 0.726 0.676 4.484) 4.592 24.026 ( -0.950 0.120 -1.069) 1.435 24.041 ( 0.537 0.740 0.309) 0.965 24.080 ( 0.568 -1.324 -4.550) 4.773 24.139 ( -0.247 0.801 -3.669) 3.764 24.849 ( 0.287 -0.214 2.731) 2.755 24.923 ( -0.505 -0.174 -1.534) 1.625 47.751 ( -5.796 -21.807 19.100) 29.562 47.813 ( -5.047 -25.158 19.308) 32.112 48.073 ( -8.455 -11.760 4.286) 15.104 48.246 ( -13.924 -14.609 -3.328) 20.455 48.534 ( -13.349 7.294 1.322) 15.270 48.909 ( -0.347 3.429 -12.904) 13.356 53.776 ( 2.835 -4.833 9.275) 10.837 54.045 ( 7.434 -0.216 1.871) 7.669 54.102 ( 3.937 0.768 -3.445) 5.288 54.249 ( -0.362 12.676 -5.270) 13.733 54.613 ( 2.730 1.999 1.826) 3.845 54.707 ( -0.043 7.850 -3.277) 8.506 ======================= Grid point 285 (82/85) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( -13.822 -10.816 -5.128) 18.285 3.238 ( 1.353 -9.447 5.954) 11.249 3.505 ( -9.138 1.987 27.817) 29.346 3.935 ( 7.521 -5.538 -21.456) 23.401 4.364 ( 1.804 8.696 4.649) 10.025 4.396 ( -1.552 3.057 -1.110) 3.603 5.168 ( -16.927 -16.145 1.608) 23.447 5.318 ( -6.268 -21.833 -7.289) 23.856 5.849 ( -6.531 3.606 1.685) 7.649 5.943 ( 4.186 1.092 -0.855) 4.410 6.130 ( 1.685 -0.577 6.097) 6.352 6.197 ( 0.272 0.535 -8.687) 8.707 6.538 ( -8.379 2.492 3.806) 9.534 6.691 ( 5.287 -5.085 1.622) 7.513 7.370 ( -6.215 7.826 -0.716) 10.019 7.543 ( 12.415 2.686 -0.201) 12.703 8.760 ( 5.340 1.372 11.448) 12.707 8.883 ( 1.755 0.573 -13.026) 13.156 9.327 ( -7.371 8.664 8.851) 14.413 9.559 ( 3.821 4.658 -0.901) 6.091 9.667 ( 7.595 6.762 -1.744) 10.318 9.840 ( 12.532 3.422 -9.057) 15.836 11.505 ( 4.331 -0.415 4.976) 6.610 11.521 ( -2.549 0.681 -6.613) 7.119 11.745 ( -1.107 3.695 -1.884) 4.293 11.793 ( 7.825 3.160 0.615) 8.462 12.281 ( 2.655 8.382 1.164) 8.869 12.336 ( 6.885 4.857 -0.047) 8.426 14.022 ( -4.487 -4.448 8.397) 10.509 14.137 ( -3.336 -5.272 -9.746) 11.572 15.545 ( 0.631 -1.318 10.926) 11.023 15.652 ( -2.172 -1.885 -10.291) 10.685 15.728 ( 2.252 1.352 14.354) 14.592 15.868 ( -1.302 1.403 -14.138) 14.267 16.457 ( 0.811 1.545 2.979) 3.453 16.494 ( 1.754 1.308 -2.028) 2.983 21.394 ( -4.747 -2.348 -2.292) 5.771 21.407 ( 0.065 -3.254 2.262) 3.964 22.291 ( -4.404 -2.375 -1.487) 5.220 22.315 ( 0.293 -4.542 1.694) 4.857 22.522 ( -1.730 3.635 3.980) 5.661 22.596 ( 1.870 0.367 -1.492) 2.420 23.008 ( -0.656 -1.268 0.654) 1.570 23.033 ( 0.205 -1.310 -2.361) 2.708 23.172 ( -1.355 2.513 0.133) 2.858 23.216 ( 3.640 1.265 -0.373) 3.872 23.898 ( -1.480 -1.557 6.547) 6.891 23.966 ( -1.219 -1.185 -5.072) 5.349 24.023 ( 0.108 0.340 2.230) 2.258 24.051 ( 0.862 -0.163 -1.635) 1.856 24.072 ( 0.789 0.487 2.219) 2.405 24.097 ( -0.420 0.644 -3.643) 3.723 24.881 ( 0.583 -0.375 2.156) 2.264 24.891 ( -1.122 -0.251 -1.813) 2.147 47.559 ( -25.009 -18.324 1.641) 31.048 47.678 ( -14.853 -18.754 9.652) 25.797 47.731 ( -17.669 -21.857 -10.484) 29.998 47.845 ( -3.407 -27.482 6.708) 28.494 48.488 ( -16.309 7.766 16.724) 24.617 48.790 ( 1.639 -0.503 -9.528) 9.681 53.898 ( 3.408 -2.297 7.252) 8.335 54.015 ( 4.268 -2.233 -11.660) 12.616 54.250 ( -2.981 12.007 -5.397) 13.498 54.323 ( 11.940 4.907 6.015) 14.241 54.716 ( -0.895 6.531 -4.084) 7.755 54.735 ( 6.730 2.919 4.977) 8.865 ======================= Grid point 293 (83/85) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( -0.000 -19.450 16.228) 25.331 3.360 ( -0.000 -9.727 4.854) 10.871 3.736 ( -0.000 -0.507 16.965) 16.972 3.753 ( 0.000 -3.549 -12.758) 13.243 4.294 ( 0.000 8.347 -7.250) 11.056 4.433 ( 0.000 11.950 -12.532) 17.316 5.304 ( -0.000 -30.463 11.355) 32.510 5.615 ( 0.000 -13.434 -5.870) 14.660 5.827 ( 0.000 -0.814 -0.981) 1.275 5.938 ( 0.000 2.506 -2.596) 3.608 6.098 ( -0.000 -2.040 6.976) 7.268 6.224 ( 0.000 -0.596 -7.429) 7.453 6.571 ( 0.000 -3.594 -2.162) 4.194 6.776 ( 0.000 3.054 -3.422) 4.586 7.195 ( -0.000 1.333 8.845) 8.945 7.526 ( 0.000 13.923 -6.829) 15.508 8.696 ( -0.000 8.055 11.675) 14.184 8.795 ( 0.000 11.081 -8.327) 13.861 9.411 ( 0.000 -5.014 -9.575) 10.808 9.497 ( -0.000 7.191 4.333) 8.396 9.558 ( -0.000 1.076 3.104) 3.285 9.717 ( 0.000 6.596 -1.183) 6.701 11.440 ( -0.000 -0.945 6.604) 6.671 11.533 ( 0.000 4.166 -4.355) 6.026 11.703 ( -0.000 -1.186 2.071) 2.386 11.793 ( 0.000 1.889 -3.714) 4.167 12.181 ( -0.000 7.299 0.885) 7.353 12.261 ( 0.000 11.880 -2.277) 12.096 14.090 ( -0.000 -5.127 9.591) 10.875 14.186 ( 0.000 -6.554 -9.289) 11.369 15.536 ( -0.000 -2.629 12.832) 13.099 15.685 ( -0.000 1.138 14.772) 14.816 15.695 ( 0.000 -1.921 -11.527) 11.686 15.884 ( 0.000 3.180 -15.585) 15.906 16.445 ( -0.000 1.863 3.185) 3.690 16.471 ( 0.000 1.095 -2.256) 2.508 21.407 ( -0.000 -4.913 2.478) 5.503 21.468 ( 0.000 -2.143 -2.277) 3.127 22.304 ( -0.000 -4.897 2.537) 5.515 22.383 ( 0.000 -1.957 -1.203) 2.297 22.521 ( 0.000 1.568 -1.943) 2.497 22.559 ( -0.000 4.234 0.803) 4.310 23.027 ( -0.000 -2.190 0.257) 2.205 23.042 ( 0.000 -1.722 -0.155) 1.729 23.144 ( -0.000 0.700 0.384) 0.799 23.198 ( 0.000 3.476 -1.157) 3.663 23.921 ( -0.000 -2.105 6.128) 6.479 23.994 ( 0.000 -2.163 -6.210) 6.576 24.020 ( -0.000 0.331 2.384) 2.407 24.043 ( -0.000 0.649 1.939) 2.044 24.044 ( -0.000 0.783 0.218) 0.812 24.104 ( 0.000 1.099 -3.969) 4.118 24.872 ( -0.000 -0.717 2.327) 2.435 24.907 ( 0.000 0.083 -1.911) 1.913 47.763 ( -0.000 -31.055 10.306) 32.721 47.804 ( -0.000 -29.381 17.724) 34.313 48.032 ( 0.000 -14.181 -5.767) 15.309 48.222 ( 0.000 -12.941 -1.554) 13.034 48.656 ( 0.000 -1.536 -16.977) 17.047 48.729 ( 0.000 2.280 -3.210) 3.937 53.867 ( -0.000 -0.697 12.413) 12.433 54.020 ( 0.000 1.114 -4.261) 4.404 54.044 ( -0.000 1.101 5.240) 5.355 54.302 ( 0.000 13.490 -5.725) 14.654 54.626 ( -0.000 1.970 2.005) 2.811 54.732 ( 0.000 8.441 -4.469) 9.551 ======================= Grid point 364 (84/85) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( -0.000 0.000 31.787) 31.787 3.635 ( -0.000 0.000 17.162) 17.162 3.635 ( -0.000 0.000 17.162) 17.162 4.117 ( 0.000 -0.000 -10.769) 10.769 4.117 ( 0.000 -0.000 -10.769) 10.769 4.196 ( 0.000 -0.000 -20.828) 20.828 5.797 ( -0.000 0.000 1.322) 1.322 5.797 ( -0.000 0.000 1.322) 1.322 5.883 ( -0.000 -0.000 -1.564) 1.564 5.883 ( 0.000 -0.000 -1.564) 1.564 6.414 ( -0.000 0.000 2.345) 2.345 6.414 ( 0.000 0.000 2.345) 2.345 6.590 ( 0.000 -0.000 -6.352) 6.352 6.590 ( 0.000 -0.000 -6.352) 6.352 6.953 ( -0.000 0.000 12.186) 12.186 7.318 ( 0.000 -0.000 -8.086) 8.086 8.430 ( -0.000 0.000 5.719) 5.719 8.619 ( 0.000 -0.000 -4.922) 4.922 9.362 ( -0.000 0.000 7.447) 7.447 9.362 ( -0.000 0.000 7.447) 7.447 9.734 ( 0.000 -0.000 -13.603) 13.603 9.734 ( 0.000 -0.000 -13.603) 13.603 11.365 ( -0.000 0.000 3.299) 3.299 11.511 ( 0.000 -0.000 -5.229) 5.229 11.851 ( -0.000 0.000 3.040) 3.040 11.851 ( 0.000 0.000 3.040) 3.040 11.984 ( 0.000 -0.000 -4.591) 4.591 11.984 ( 0.000 -0.000 -4.591) 4.591 14.075 ( -0.000 0.000 8.633) 8.633 14.409 ( 0.000 -0.000 -9.076) 9.076 15.450 ( -0.000 0.000 14.102) 14.102 15.450 ( -0.000 0.000 14.102) 14.102 15.941 ( 0.000 -0.000 -12.836) 12.836 15.941 ( 0.000 -0.000 -12.836) 12.836 16.377 ( -0.000 0.000 3.376) 3.376 16.475 ( 0.000 -0.000 -1.517) 1.517 21.462 ( -0.000 0.000 2.586) 2.586 21.545 ( 0.000 -0.000 -2.287) 2.287 22.386 ( -0.000 0.000 3.823) 3.823 22.386 ( -0.000 0.000 3.823) 3.823 22.479 ( 0.000 -0.000 -1.504) 1.504 22.479 ( 0.000 -0.000 -1.504) 1.504 23.094 ( -0.000 0.000 0.170) 0.170 23.094 ( 0.000 -0.000 0.170) 0.170 23.126 ( 0.000 -0.000 -1.957) 1.957 23.126 ( 0.000 -0.000 -1.957) 1.957 23.927 ( -0.000 0.000 5.483) 5.483 23.927 ( -0.000 0.000 5.483) 5.483 24.027 ( -0.000 0.000 0.084) 0.084 24.028 ( 0.000 -0.000 -0.392) 0.392 24.113 ( 0.000 -0.000 -4.549) 4.549 24.113 ( 0.000 -0.000 -4.549) 4.549 24.850 ( -0.000 0.000 2.981) 2.981 24.928 ( 0.000 -0.000 -1.617) 1.617 48.177 ( -0.000 0.000 22.105) 22.105 48.177 ( -0.000 0.000 22.105) 22.105 48.198 ( -0.000 0.000 11.800) 11.800 48.503 ( 0.000 -0.000 -6.004) 6.004 48.705 ( 0.000 -0.000 -7.169) 7.169 48.705 ( 0.000 -0.000 -7.169) 7.169 53.913 ( -0.000 0.000 3.633) 3.633 53.913 ( -0.000 0.000 3.633) 3.633 54.065 ( 0.000 -0.000 -4.482) 4.482 54.065 ( 0.000 -0.000 -4.482) 4.482 54.567 ( -0.000 0.000 0.985) 0.985 54.602 ( 0.000 -0.000 -1.123) 1.123 ======================= Grid point 365 (85/85) ======================= q-point: (-0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( -2.124 -1.227 31.704) 31.799 3.547 ( -13.934 -8.045 9.307) 18.588 3.715 ( -15.643 -9.032 -12.287) 21.846 3.961 ( 2.713 1.567 -25.429) 25.621 4.035 ( 10.985 6.342 16.111) 20.505 4.207 ( 10.444 6.030 -10.819) 16.202 5.715 ( -11.367 -6.563 2.830) 13.427 5.781 ( -6.657 -3.844 -2.835) 8.193 5.856 ( 1.166 0.673 1.551) 2.054 5.863 ( 0.192 0.111 -1.823) 1.836 6.248 ( -8.925 -5.153 0.270) 10.309 6.279 ( -10.276 -5.933 -4.944) 12.854 6.587 ( 0.715 0.413 5.416) 5.478 6.667 ( 4.849 2.800 -1.035) 5.694 7.209 ( 12.325 7.116 7.902) 16.278 7.254 ( 2.915 1.683 -9.290) 9.881 8.553 ( 5.846 3.375 7.365) 9.991 8.644 ( 8.822 5.093 -7.290) 12.526 9.390 ( -4.611 -2.662 10.036) 11.361 9.526 ( 2.801 1.617 8.300) 8.908 9.540 ( -1.454 -0.840 -11.069) 11.195 9.649 ( 4.225 2.439 -11.091) 12.116 11.428 ( 2.276 1.314 4.115) 4.882 11.479 ( 2.372 1.370 -4.986) 5.689 11.779 ( -4.155 -2.399 3.368) 5.861 11.808 ( -5.834 -3.368 -4.084) 7.877 12.035 ( 7.975 4.604 3.441) 9.831 12.088 ( 8.929 5.155 -3.541) 10.901 14.155 ( -2.803 -1.619 9.796) 10.317 14.271 ( -2.766 -1.597 -10.201) 10.689 15.581 ( -1.590 -0.918 13.764) 13.886 15.657 ( 2.323 1.341 15.774) 16.000 15.735 ( -2.769 -1.599 -13.700) 14.068 15.829 ( 1.958 1.131 -14.931) 15.101 16.423 ( 0.661 0.382 3.353) 3.439 16.457 ( 0.660 0.381 -2.507) 2.620 21.474 ( -1.583 -0.914 2.466) 3.070 21.497 ( -2.344 -1.353 -2.427) 3.636 22.393 ( -1.497 -0.864 2.223) 2.816 22.400 ( -3.454 -1.994 -1.725) 4.345 22.459 ( 1.440 0.831 3.936) 4.272 22.516 ( 3.539 2.043 -2.727) 4.913 23.060 ( -2.159 -1.247 0.661) 2.579 23.079 ( -1.422 -0.821 -1.502) 2.226 23.133 ( 1.452 0.838 0.147) 1.683 23.140 ( 2.131 1.230 -0.676) 2.551 23.958 ( -1.974 -1.140 6.250) 6.653 24.012 ( 0.472 0.272 3.378) 3.421 24.013 ( -1.488 -0.859 -2.785) 3.273 24.038 ( 1.202 0.694 1.705) 2.198 24.045 ( 0.266 0.154 -3.156) 3.171 24.077 ( 0.898 0.519 -4.815) 4.926 24.881 ( 0.002 0.001 2.498) 2.498 24.905 ( -0.262 -0.151 -2.030) 2.052 48.178 ( -13.500 -7.794 12.029) 19.690 48.188 ( -14.020 -8.094 6.577) 17.474 48.364 ( -15.515 -8.958 -12.927) 22.092 48.405 ( -7.069 -4.082 -2.198) 8.454 48.459 ( -0.640 -0.370 20.813) 20.826 48.715 ( 5.459 3.151 -12.480) 13.981 53.915 ( -1.064 -0.614 6.992) 7.099 54.007 ( 1.055 0.609 -8.076) 8.167 54.050 ( 4.671 2.697 -0.982) 5.482 54.069 ( 5.606 3.237 1.369) 6.617 54.603 ( 2.852 1.647 1.762) 3.735 54.612 ( 1.969 1.137 -1.561) 2.758 =================== 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 3/48114 10.0 403.412 403.412 745.484 0.000 -0.000 -0.000 3/48114 20.0 292.062 292.062 383.000 0.000 -0.000 -0.000 3/48114 30.0 145.108 145.108 170.177 0.000 -0.000 -0.000 3/48114 40.0 82.724 82.724 95.258 0.000 -0.000 -0.000 3/48114 50.0 54.570 54.570 63.560 0.000 -0.000 -0.000 3/48114 60.0 39.625 39.625 46.950 0.000 -0.000 -0.000 3/48114 70.0 30.576 30.576 36.813 0.000 -0.000 -0.000 3/48114 80.0 24.575 24.575 29.996 0.000 -0.000 -0.000 3/48114 90.0 20.343 20.343 25.117 0.000 -0.000 -0.000 3/48114 100.0 17.224 17.224 21.473 0.000 -0.000 -0.000 3/48114 110.0 14.851 14.851 18.666 0.000 -0.000 -0.000 3/48114 120.0 12.998 12.998 16.450 0.000 -0.000 -0.000 3/48114 130.0 11.520 11.520 14.665 0.000 -0.000 -0.000 3/48114 140.0 10.319 10.319 13.203 0.000 -0.000 -0.000 3/48114 150.0 9.328 9.328 11.986 0.000 -0.000 -0.000 3/48114 160.0 8.500 8.500 10.962 0.000 -0.000 -0.000 3/48114 170.0 7.798 7.798 10.090 0.000 -0.000 -0.000 3/48114 180.0 7.199 7.199 9.339 0.000 -0.000 -0.000 3/48114 190.0 6.681 6.681 8.688 0.000 -0.000 -0.000 3/48114 200.0 6.230 6.230 8.118 0.000 -0.000 -0.000 3/48114 210.0 5.834 5.834 7.616 0.000 -0.000 -0.000 3/48114 220.0 5.484 5.484 7.171 0.000 -0.000 -0.000 3/48114 230.0 5.173 5.173 6.774 0.000 -0.000 -0.000 3/48114 240.0 4.896 4.896 6.418 0.000 -0.000 -0.000 3/48114 250.0 4.646 4.646 6.097 0.000 -0.000 -0.000 3/48114 260.0 4.420 4.420 5.807 0.000 -0.000 -0.000 3/48114 270.0 4.216 4.216 5.543 0.000 -0.000 -0.000 3/48114 280.0 4.030 4.030 5.302 0.000 -0.000 -0.000 3/48114 290.0 3.859 3.859 5.082 0.000 -0.000 -0.000 3/48114 300.0 3.703 3.703 4.879 0.000 -0.000 -0.000 3/48114 310.0 3.559 3.559 4.692 0.000 -0.000 -0.000 3/48114 320.0 3.427 3.427 4.520 0.000 -0.000 -0.000 3/48114 330.0 3.304 3.304 4.359 0.000 -0.000 -0.000 3/48114 340.0 3.190 3.190 4.211 0.000 -0.000 -0.000 3/48114 350.0 3.084 3.084 4.072 0.000 -0.000 -0.000 3/48114 360.0 2.985 2.985 3.942 0.000 -0.000 -0.000 3/48114 370.0 2.892 2.892 3.821 0.000 -0.000 -0.000 3/48114 380.0 2.805 2.805 3.707 0.000 -0.000 -0.000 3/48114 390.0 2.724 2.724 3.601 0.000 -0.000 -0.000 3/48114 400.0 2.647 2.647 3.500 0.000 -0.000 -0.000 3/48114 410.0 2.575 2.575 3.405 0.000 -0.000 -0.000 3/48114 420.0 2.507 2.507 3.315 0.000 -0.000 -0.000 3/48114 430.0 2.443 2.443 3.231 0.000 -0.000 -0.000 3/48114 440.0 2.382 2.382 3.150 0.000 -0.000 -0.000 3/48114 450.0 2.324 2.324 3.074 0.000 -0.000 -0.000 3/48114 460.0 2.269 2.269 3.002 0.000 -0.000 -0.000 3/48114 470.0 2.217 2.217 2.933 0.000 -0.000 -0.000 3/48114 480.0 2.167 2.167 2.867 0.000 -0.000 -0.000 3/48114 490.0 2.120 2.120 2.804 0.000 -0.000 -0.000 3/48114 500.0 2.074 2.074 2.745 0.000 -0.000 -0.000 3/48114 510.0 2.031 2.031 2.687 0.000 -0.000 -0.000 3/48114 520.0 1.990 1.990 2.633 0.000 -0.000 -0.000 3/48114 530.0 1.950 1.950 2.580 0.000 -0.000 -0.000 3/48114 540.0 1.912 1.912 2.530 0.000 -0.000 -0.000 3/48114 550.0 1.876 1.876 2.482 0.000 -0.000 -0.000 3/48114 560.0 1.841 1.841 2.436 0.000 -0.000 -0.000 3/48114 570.0 1.807 1.807 2.391 0.000 -0.000 -0.000 3/48114 580.0 1.775 1.775 2.348 0.000 -0.000 -0.000 3/48114 590.0 1.744 1.744 2.307 0.000 -0.000 -0.000 3/48114 600.0 1.714 1.714 2.267 0.000 -0.000 -0.000 3/48114 610.0 1.685 1.685 2.229 0.000 -0.000 -0.000 3/48114 620.0 1.657 1.657 2.192 0.000 -0.000 -0.000 3/48114 630.0 1.630 1.630 2.156 0.000 -0.000 -0.000 3/48114 640.0 1.604 1.604 2.121 0.000 -0.000 -0.000 3/48114 650.0 1.579 1.579 2.088 0.000 -0.000 -0.000 3/48114 660.0 1.554 1.554 2.056 0.000 -0.000 -0.000 3/48114 670.0 1.531 1.531 2.024 0.000 -0.000 -0.000 3/48114 680.0 1.508 1.508 1.994 0.000 -0.000 -0.000 3/48114 690.0 1.486 1.486 1.965 0.000 -0.000 -0.000 3/48114 700.0 1.464 1.464 1.936 0.000 -0.000 -0.000 3/48114 710.0 1.443 1.443 1.909 0.000 -0.000 -0.000 3/48114 720.0 1.423 1.423 1.882 0.000 -0.000 -0.000 3/48114 730.0 1.403 1.403 1.856 0.000 -0.000 -0.000 3/48114 740.0 1.384 1.384 1.830 0.000 -0.000 -0.000 3/48114 750.0 1.366 1.366 1.806 0.000 -0.000 -0.000 3/48114 760.0 1.348 1.348 1.782 0.000 -0.000 -0.000 3/48114 770.0 1.330 1.330 1.758 0.000 -0.000 -0.000 3/48114 780.0 1.313 1.313 1.736 0.000 -0.000 -0.000 3/48114 790.0 1.297 1.297 1.714 0.000 -0.000 -0.000 3/48114 800.0 1.280 1.280 1.692 0.000 -0.000 -0.000 3/48114 810.0 1.265 1.265 1.671 0.000 -0.000 -0.000 3/48114 820.0 1.249 1.249 1.651 0.000 -0.000 -0.000 3/48114 830.0 1.234 1.234 1.631 0.000 -0.000 -0.000 3/48114 840.0 1.220 1.220 1.611 0.000 -0.000 -0.000 3/48114 850.0 1.205 1.205 1.592 0.000 -0.000 -0.000 3/48114 860.0 1.191 1.191 1.574 0.000 -0.000 -0.000 3/48114 870.0 1.178 1.178 1.556 0.000 -0.000 -0.000 3/48114 880.0 1.164 1.164 1.538 0.000 -0.000 -0.000 3/48114 890.0 1.151 1.151 1.521 0.000 -0.000 -0.000 3/48114 900.0 1.139 1.139 1.504 0.000 -0.000 -0.000 3/48114 910.0 1.126 1.126 1.488 0.000 -0.000 -0.000 3/48114 920.0 1.114 1.114 1.472 0.000 -0.000 -0.000 3/48114 930.0 1.102 1.102 1.456 0.000 -0.000 -0.000 3/48114 940.0 1.091 1.091 1.440 0.000 -0.000 -0.000 3/48114 950.0 1.079 1.079 1.425 0.000 -0.000 -0.000 3/48114 960.0 1.068 1.068 1.410 0.000 -0.000 -0.000 3/48114 970.0 1.057 1.057 1.396 0.000 -0.000 -0.000 3/48114 980.0 1.047 1.047 1.382 0.000 -0.000 -0.000 3/48114 990.0 1.036 1.036 1.368 0.000 -0.000 -0.000 3/48114 1000.0 1.026 1.026 1.354 0.000 -0.000 -0.000 3/48114 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:07:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|