# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/70f3b20a-7247-4046-a9ab-6898285bb84b/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Na3PO4 / Pmn2_1 (31) / materials id 674333](https://mdr.nims.go.jp/datasets/13bbfbd8-ef33-4f8d-b5e1-31b794903f5e) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 21:34:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pmn2_1 (31)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 6.820099110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.891788730000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.458784680000000Atomic positions (fractional): *1 Na 0.75575920859936 0.67861610537607 0.49409317939680 22.990 *2 Na 0.50000000000000 0.14463174401369 0.49155683442391 22.990 3 Na 0.74424079140064 0.32138389462393 0.99409317939680 22.990 4 Na 0.25575920859936 0.32138389462393 0.99409317939680 22.990 5 Na 0.24424079140064 0.67861610537607 0.49409317939680 22.990 6 Na 0.00000000000000 0.85536825598631 0.99155683442391 22.990 *7 P 0.50000000000000 0.81811266900017 0.00110841452748 30.974 8 P 0.00000000000000 0.18188733099983 0.50110841452748 30.974 *9 O 0.00000000000000 0.93090232355723 0.41117481161548 15.999 *10 O 0.50000000000000 0.81184787775144 0.28533967831766 15.999 *11 O 0.18758984526381 0.30524944294142 0.40548791116095 15.999 12 O 0.81241015473619 0.30524944294142 0.40548791116095 15.999 13 O 0.50000000000000 0.06909767644277 0.91117481161548 15.999 14 O 0.68758984526381 0.69475055705858 0.90548791116095 15.999 15 O 0.31241015473619 0.69475055705858 0.90548791116095 15.999 16 O 0.00000000000000 0.18815212224856 0.78533967831766 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.820099110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.891788730000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.458784680000000Atomic positions (fractional): *1 Na 0.75575920859936 0.67861610537607 0.49409317939680 22.990 > 1 *2 Na 0.50000000000000 0.14463174401369 0.49155683442391 22.990 > 2 3 Na 0.74424079140064 0.32138389462393 0.99409317939680 22.990 > 3 4 Na 0.25575920859936 0.32138389462393 0.99409317939680 22.990 > 4 5 Na 0.24424079140064 0.67861610537607 0.49409317939680 22.990 > 5 6 Na 0.00000000000000 0.85536825598631 0.99155683442391 22.990 > 6 *7 P 0.50000000000000 0.81811266900017 0.00110841452748 30.974 > 7 8 P 0.00000000000000 0.18188733099983 0.50110841452748 30.974 > 8 *9 O 0.00000000000000 0.93090232355723 0.41117481161548 15.999 > 9 *10 O 0.50000000000000 0.81184787775144 0.28533967831766 15.999 > 10 *11 O 0.18758984526381 0.30524944294142 0.40548791116095 15.999 > 11 12 O 0.81241015473619 0.30524944294142 0.40548791116095 15.999 > 12 13 O 0.50000000000000 0.06909767644277 0.91117481161548 15.999 > 13 14 O 0.68758984526381 0.69475055705858 0.90548791116095 15.999 > 14 15 O 0.31241015473619 0.69475055705858 0.90548791116095 15.999 > 15 16 O 0.00000000000000 0.18815212224856 0.78533967831766 15.999 > 16-------------------------------- super cell --------------------------------Lattice vectors: a 13.640198220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.783577460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.917569360000000Atomic positions (fractional): *1 Na 0.37787960429968 0.33930805268803 0.24704658969840 22.990 > 1 2 Na 0.87787960429968 0.33930805268803 0.24704658969840 22.990 > 1 3 Na 0.37787960429968 0.83930805268803 0.24704658969840 22.990 > 1 4 Na 0.87787960429968 0.83930805268803 0.24704658969840 22.990 > 1 5 Na 0.37787960429968 0.33930805268803 0.74704658969840 22.990 > 1 6 Na 0.87787960429968 0.33930805268803 0.74704658969840 22.990 > 1 7 Na 0.37787960429968 0.83930805268803 0.74704658969840 22.990 > 1 8 Na 0.87787960429968 0.83930805268803 0.74704658969840 22.990 > 1 *9 Na 0.25000000000000 0.07231587200685 0.24577841721195 22.990 > 2 10 Na 0.75000000000000 0.07231587200685 0.24577841721195 22.990 > 2 11 Na 0.25000000000000 0.57231587200684 0.24577841721195 22.990 > 2 12 Na 0.75000000000000 0.57231587200684 0.24577841721195 22.990 > 2 13 Na 0.25000000000000 0.07231587200685 0.74577841721195 22.990 > 2 14 Na 0.75000000000000 0.07231587200685 0.74577841721195 22.990 > 2 15 Na 0.25000000000000 0.57231587200684 0.74577841721195 22.990 > 2 16 Na 0.75000000000000 0.57231587200684 0.74577841721195 22.990 > 2 17 Na 0.37212039570032 0.16069194731197 0.49704658969840 22.990 > 3 18 Na 0.87212039570032 0.16069194731197 0.49704658969840 22.990 > 3 19 Na 0.37212039570032 0.66069194731197 0.49704658969840 22.990 > 3 20 Na 0.87212039570032 0.66069194731197 0.49704658969840 22.990 > 3 21 Na 0.37212039570032 0.16069194731197 0.99704658969840 22.990 > 3 22 Na 0.87212039570032 0.16069194731197 0.99704658969840 22.990 > 3 23 Na 0.37212039570032 0.66069194731197 0.99704658969840 22.990 > 3 24 Na 0.87212039570032 0.66069194731197 0.99704658969840 22.990 > 3 25 Na 0.12787960429968 0.16069194731197 0.49704658969840 22.990 > 4 26 Na 0.62787960429968 0.16069194731197 0.49704658969840 22.990 > 4 27 Na 0.12787960429968 0.66069194731197 0.49704658969840 22.990 > 4 28 Na 0.62787960429968 0.66069194731197 0.49704658969840 22.990 > 4 29 Na 0.12787960429968 0.16069194731197 0.99704658969840 22.990 > 4 30 Na 0.62787960429968 0.16069194731197 0.99704658969840 22.990 > 4 31 Na 0.12787960429968 0.66069194731197 0.99704658969840 22.990 > 4 32 Na 0.62787960429968 0.66069194731197 0.99704658969840 22.990 > 4 33 Na 0.12212039570032 0.33930805268803 0.24704658969840 22.990 > 5 34 Na 0.62212039570032 0.33930805268803 0.24704658969840 22.990 > 5 35 Na 0.12212039570032 0.83930805268803 0.24704658969840 22.990 > 5 36 Na 0.62212039570032 0.83930805268803 0.24704658969840 22.990 > 5 37 Na 0.12212039570032 0.33930805268803 0.74704658969840 22.990 > 5 38 Na 0.62212039570032 0.33930805268803 0.74704658969840 22.990 > 5 39 Na 0.12212039570032 0.83930805268803 0.74704658969840 22.990 > 5 40 Na 0.62212039570032 0.83930805268803 0.74704658969840 22.990 > 5 41 Na 0.00000000000000 0.42768412799316 0.49577841721195 22.990 > 6 42 Na 0.50000000000000 0.42768412799316 0.49577841721195 22.990 > 6 43 Na 0.00000000000000 0.92768412799316 0.49577841721195 22.990 > 6 44 Na 0.50000000000000 0.92768412799316 0.49577841721195 22.990 > 6 45 Na 0.00000000000000 0.42768412799316 0.99577841721195 22.990 > 6 46 Na 0.50000000000000 0.42768412799316 0.99577841721195 22.990 > 6 47 Na 0.00000000000000 0.92768412799316 0.99577841721195 22.990 > 6 48 Na 0.50000000000000 0.92768412799316 0.99577841721195 22.990 > 6 *49 P 0.25000000000000 0.40905633450009 0.00055420726374 30.974 > 7 50 P 0.75000000000000 0.40905633450009 0.00055420726374 30.974 > 7 51 P 0.25000000000000 0.90905633450009 0.00055420726374 30.974 > 7 52 P 0.75000000000000 0.90905633450009 0.00055420726374 30.974 > 7 53 P 0.25000000000000 0.40905633450009 0.50055420726374 30.974 > 7 54 P 0.75000000000000 0.40905633450009 0.50055420726374 30.974 > 7 55 P 0.25000000000000 0.90905633450009 0.50055420726374 30.974 > 7 56 P 0.75000000000000 0.90905633450009 0.50055420726374 30.974 > 7 57 P 0.00000000000000 0.09094366549991 0.25055420726374 30.974 > 8 58 P 0.50000000000000 0.09094366549991 0.25055420726374 30.974 > 8 59 P 0.00000000000000 0.59094366549991 0.25055420726374 30.974 > 8 60 P 0.50000000000000 0.59094366549991 0.25055420726374 30.974 > 8 61 P 0.00000000000000 0.09094366549991 0.75055420726374 30.974 > 8 62 P 0.50000000000000 0.09094366549991 0.75055420726374 30.974 > 8 63 P 0.00000000000000 0.59094366549991 0.75055420726374 30.974 > 8 64 P 0.50000000000000 0.59094366549991 0.75055420726374 30.974 > 8 *65 O 0.00000000000000 0.46545116177861 0.20558740580774 15.999 > 9 66 O 0.50000000000000 0.46545116177861 0.20558740580774 15.999 > 9 67 O 0.00000000000000 0.96545116177861 0.20558740580774 15.999 > 9 68 O 0.50000000000000 0.96545116177861 0.20558740580774 15.999 > 9 69 O 0.00000000000000 0.46545116177861 0.70558740580774 15.999 > 9 70 O 0.50000000000000 0.46545116177861 0.70558740580774 15.999 > 9 71 O 0.00000000000000 0.96545116177861 0.70558740580774 15.999 > 9 72 O 0.50000000000000 0.96545116177861 0.70558740580774 15.999 > 9 *73 O 0.25000000000000 0.40592393887572 0.14266983915883 15.999 > 10 74 O 0.75000000000000 0.40592393887572 0.14266983915883 15.999 > 10 75 O 0.25000000000000 0.90592393887572 0.14266983915883 15.999 > 10 76 O 0.75000000000000 0.90592393887572 0.14266983915883 15.999 > 10 77 O 0.25000000000000 0.40592393887572 0.64266983915883 15.999 > 10 78 O 0.75000000000000 0.40592393887572 0.64266983915883 15.999 > 10 79 O 0.25000000000000 0.90592393887572 0.64266983915883 15.999 > 10 80 O 0.75000000000000 0.90592393887572 0.64266983915883 15.999 > 10 *81 O 0.09379492263190 0.15262472147071 0.20274395558048 15.999 > 11 82 O 0.59379492263190 0.15262472147071 0.20274395558048 15.999 > 11 83 O 0.09379492263190 0.65262472147071 0.20274395558048 15.999 > 11 84 O 0.59379492263190 0.65262472147071 0.20274395558048 15.999 > 11 85 O 0.09379492263190 0.15262472147071 0.70274395558047 15.999 > 11 86 O 0.59379492263190 0.15262472147071 0.70274395558047 15.999 > 11 87 O 0.09379492263190 0.65262472147071 0.70274395558047 15.999 > 11 88 O 0.59379492263190 0.65262472147071 0.70274395558047 15.999 > 11 89 O 0.40620507736810 0.15262472147071 0.20274395558048 15.999 > 12 90 O 0.90620507736810 0.15262472147071 0.20274395558048 15.999 > 12 91 O 0.40620507736810 0.65262472147071 0.20274395558048 15.999 > 12 92 O 0.90620507736810 0.65262472147071 0.20274395558048 15.999 > 12 93 O 0.40620507736810 0.15262472147071 0.70274395558047 15.999 > 12 94 O 0.90620507736810 0.15262472147071 0.70274395558047 15.999 > 12 95 O 0.40620507736810 0.65262472147071 0.70274395558047 15.999 > 12 96 O 0.90620507736810 0.65262472147071 0.70274395558047 15.999 > 12 97 O 0.25000000000000 0.03454883822139 0.45558740580774 15.999 > 13 98 O 0.75000000000000 0.03454883822139 0.45558740580774 15.999 > 13 99 O 0.25000000000000 0.53454883822139 0.45558740580774 15.999 > 13 100 O 0.75000000000000 0.53454883822139 0.45558740580774 15.999 > 13 101 O 0.25000000000000 0.03454883822139 0.95558740580774 15.999 > 13 102 O 0.75000000000000 0.03454883822139 0.95558740580774 15.999 > 13 103 O 0.25000000000000 0.53454883822139 0.95558740580774 15.999 > 13 104 O 0.75000000000000 0.53454883822139 0.95558740580774 15.999 > 13 105 O 0.34379492263190 0.34737527852929 0.45274395558048 15.999 > 14 106 O 0.84379492263190 0.34737527852929 0.45274395558048 15.999 > 14 107 O 0.34379492263190 0.84737527852929 0.45274395558048 15.999 > 14 108 O 0.84379492263190 0.84737527852929 0.45274395558048 15.999 > 14 109 O 0.34379492263190 0.34737527852929 0.95274395558048 15.999 > 14 110 O 0.84379492263190 0.34737527852929 0.95274395558048 15.999 > 14 111 O 0.34379492263190 0.84737527852929 0.95274395558048 15.999 > 14 112 O 0.84379492263190 0.84737527852929 0.95274395558048 15.999 > 14 113 O 0.15620507736810 0.34737527852929 0.45274395558048 15.999 > 15 114 O 0.65620507736810 0.34737527852929 0.45274395558048 15.999 > 15 115 O 0.15620507736810 0.84737527852929 0.45274395558048 15.999 > 15 116 O 0.65620507736810 0.84737527852929 0.45274395558048 15.999 > 15 117 O 0.15620507736810 0.34737527852929 0.95274395558048 15.999 > 15 118 O 0.65620507736810 0.34737527852929 0.95274395558048 15.999 > 15 119 O 0.15620507736810 0.84737527852929 0.95274395558048 15.999 > 15 120 O 0.65620507736810 0.84737527852929 0.95274395558048 15.999 > 15 121 O 0.00000000000000 0.09407606112428 0.39266983915883 15.999 > 16 122 O 0.50000000000000 0.09407606112428 0.39266983915883 15.999 > 16 123 O 0.00000000000000 0.59407606112428 0.39266983915883 15.999 > 16 124 O 0.50000000000000 0.59407606112428 0.39266983915883 15.999 > 16 125 O 0.00000000000000 0.09407606112428 0.89266983915883 15.999 > 16 126 O 0.50000000000000 0.09407606112428 0.89266983915883 15.999 > 16 127 O 0.00000000000000 0.59407606112428 0.89266983915883 15.999 > 16 128 O 0.50000000000000 0.59407606112428 0.89266983915883 15.999 > 16----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.2659594 0.0000000 0.0000000 0.0000000 2.2542013 0.0000000 0.0000000 0.0000000 2.2691263-------------------------- Born effective charges -------------------------- 1 Na 0.9574417 -0.0556702 -0.0256616 0.0103199 1.0780025 0.0015750 0.0404932 -0.0226932 1.0330342 2 Na 1.1538162 0.0000000 0.0000000 0.0000000 0.9421250 -0.0020510 0.0000000 0.0494182 1.0757005 3 Na 0.9574417 -0.0556702 0.0256616 0.0103199 1.0780025 -0.0015750 -0.0404932 0.0226932 1.0330342 4 Na 0.9574417 0.0556702 -0.0256616 -0.0103199 1.0780025 -0.0015750 0.0404932 0.0226932 1.0330342 5 Na 0.9574417 0.0556702 0.0256616 -0.0103199 1.0780025 0.0015750 -0.0404932 -0.0226932 1.0330342 6 Na 1.1538162 0.0000000 0.0000000 0.0000000 0.9421250 0.0020510 0.0000000 -0.0494182 1.0757005 7 P 2.9245656 0.0000000 0.0000000 0.0000000 2.7347406 -0.0042763 0.0000000 -0.0081549 2.8567638 8 P 2.9245656 0.0000000 0.0000000 0.0000000 2.7347406 0.0042763 0.0000000 0.0081549 2.8567638 9 O -1.1527465 0.0000000 0.0000000 0.0000000 -2.0301161 -0.2923912 0.0000000 -0.3089701 -1.2598865 10 O -1.1370505 0.0000000 0.0000000 0.0000000 -1.0633493 0.0106790 0.0000000 0.0120746 -2.2034258 11 O -1.8517341 -0.4232767 0.2946549 -0.3759957 -1.3697026 0.1533825 0.3045579 0.1568634 -1.2676101 12 O -1.8517341 0.4232767 -0.2946549 0.3759957 -1.3697026 0.1533825 -0.3045579 0.1568634 -1.2676101 13 O -1.1527465 0.0000000 0.0000000 0.0000000 -2.0301161 0.2923912 0.0000000 0.3089701 -1.2598865 14 O -1.8517341 0.4232767 0.2946549 0.3759957 -1.3697026 -0.1533825 0.3045579 -0.1568634 -1.2676101 15 O -1.8517341 -0.4232767 -0.2946549 -0.3759957 -1.3697026 -0.1533825 -0.3045579 -0.1568634 -1.2676101 16 O -1.1370505 0.0000000 0.0000000 0.0000000 -1.0633493 -0.0106790 0.0000000 -0.0120746 -2.2034258----------------------------------------------------------------------------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: 384/384Permutation basis: 9696/9696Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2432Number of blocks in projector: 2432Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 576Use submatrix version of eigh solver.(1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 564 eigenvectors found.(1) Complementary block size: 12(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 448Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 448Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 320Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 320Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 320Use standard eigh solver.Tree of FC basis block matrices:- (2432, 2394), data: False|-- (320, 314), data: True|-- (320, 314), data: True|-- (320, 314), data: True|-- (448, 444), data: True|-- (448, 444), data: True|-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 17), data: (576, 29) @ (29, 17) |-- (76, 69), data: True |-- (250, 240), data: True |-- (250, 238), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 480 - Time: 0.761Solver_block: 200 / 480 - Time: 0.692Solver_block: 300 / 480 - Time: 0.697Solver_block: 400 / 480 - Time: 0.697Solver_block: 480 / 480 - Time: 0.577Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.518--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384Permutation basis: 9696/9696Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2432Number of blocks in projector: 2432Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 576Use submatrix version of eigh solver.(1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found.(1) 564 eigenvectors found.(1) Complementary block size: 12(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 448Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 448Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 320Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 320Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 320Use standard eigh solver.Tree of FC basis block matrices:- (2432, 2394), data: False|-- (320, 314), data: True|-- (320, 314), data: True|-- (320, 314), data: True|-- (448, 444), data: True|-- (448, 444), data: True|-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 17), data: (576, 29) @ (29, 17) |-- (76, 69), data: True |-- (250, 240), data: True |-- (250, 238), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 21:34:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:34:47]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pmn2_1 (31)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.820099110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.891788730000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.458784680000000Atomic positions (fractional): 1 Na 0.75575920859936 0.67861610537607 0.49409317939680 22.990 2 Na 0.50000000000000 0.14463174401369 0.49155683442391 22.990 3 Na 0.74424079140064 0.32138389462393 0.99409317939680 22.990 4 Na 0.25575920859936 0.32138389462393 0.99409317939680 22.990 5 Na 0.24424079140064 0.67861610537607 0.49409317939680 22.990 6 Na 0.00000000000000 0.85536825598631 0.99155683442391 22.990 7 P 0.50000000000000 0.81811266900017 0.00110841452748 30.974 8 P 0.00000000000000 0.18188733099983 0.50110841452748 30.974 9 O 0.00000000000000 0.93090232355723 0.41117481161548 15.999 10 O 0.50000000000000 0.81184787775144 0.28533967831766 15.999 11 O 0.18758984526381 0.30524944294142 0.40548791116095 15.999 12 O 0.81241015473619 0.30524944294142 0.40548791116095 15.999 13 O 0.50000000000000 0.06909767644277 0.91117481161548 15.999 14 O 0.68758984526381 0.69475055705858 0.90548791116095 15.999 15 O 0.31241015473619 0.69475055705858 0.90548791116095 15.999 16 O 0.00000000000000 0.18815212224856 0.78533967831766 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 13.640198220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.783577460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.917569360000000Atomic positions (fractional): 1 Na 0.37787960429968 0.33930805268803 0.24704658969840 22.990 > 1 2 Na 0.87787960429968 0.33930805268803 0.24704658969840 22.990 > 1 3 Na 0.37787960429968 0.83930805268803 0.24704658969840 22.990 > 1 4 Na 0.87787960429968 0.83930805268803 0.24704658969840 22.990 > 1 5 Na 0.37787960429968 0.33930805268803 0.74704658969840 22.990 > 1 6 Na 0.87787960429968 0.33930805268803 0.74704658969840 22.990 > 1 7 Na 0.37787960429968 0.83930805268803 0.74704658969840 22.990 > 1 8 Na 0.87787960429968 0.83930805268803 0.74704658969840 22.990 > 1 9 Na 0.25000000000000 0.07231587200685 0.24577841721195 22.990 > 9 10 Na 0.75000000000000 0.07231587200685 0.24577841721195 22.990 > 9 11 Na 0.25000000000000 0.57231587200684 0.24577841721195 22.990 > 9 12 Na 0.75000000000000 0.57231587200684 0.24577841721195 22.990 > 9 13 Na 0.25000000000000 0.07231587200685 0.74577841721195 22.990 > 9 14 Na 0.75000000000000 0.07231587200685 0.74577841721195 22.990 > 9 15 Na 0.25000000000000 0.57231587200684 0.74577841721195 22.990 > 9 16 Na 0.75000000000000 0.57231587200684 0.74577841721195 22.990 > 9 17 Na 0.37212039570032 0.16069194731197 0.49704658969840 22.990 > 17 18 Na 0.87212039570032 0.16069194731197 0.49704658969840 22.990 > 17 19 Na 0.37212039570032 0.66069194731197 0.49704658969840 22.990 > 17 20 Na 0.87212039570032 0.66069194731197 0.49704658969840 22.990 > 17 21 Na 0.37212039570032 0.16069194731197 0.99704658969840 22.990 > 17 22 Na 0.87212039570032 0.16069194731197 0.99704658969840 22.990 > 17 23 Na 0.37212039570032 0.66069194731197 0.99704658969840 22.990 > 17 24 Na 0.87212039570032 0.66069194731197 0.99704658969840 22.990 > 17 25 Na 0.12787960429968 0.16069194731197 0.49704658969840 22.990 > 25 26 Na 0.62787960429968 0.16069194731197 0.49704658969840 22.990 > 25 27 Na 0.12787960429968 0.66069194731197 0.49704658969840 22.990 > 25 28 Na 0.62787960429968 0.66069194731197 0.49704658969840 22.990 > 25 29 Na 0.12787960429968 0.16069194731197 0.99704658969840 22.990 > 25 30 Na 0.62787960429968 0.16069194731197 0.99704658969840 22.990 > 25 31 Na 0.12787960429968 0.66069194731197 0.99704658969840 22.990 > 25 32 Na 0.62787960429968 0.66069194731197 0.99704658969840 22.990 > 25 33 Na 0.12212039570032 0.33930805268803 0.24704658969840 22.990 > 33 34 Na 0.62212039570032 0.33930805268803 0.24704658969840 22.990 > 33 35 Na 0.12212039570032 0.83930805268803 0.24704658969840 22.990 > 33 36 Na 0.62212039570032 0.83930805268803 0.24704658969840 22.990 > 33 37 Na 0.12212039570032 0.33930805268803 0.74704658969840 22.990 > 33 38 Na 0.62212039570032 0.33930805268803 0.74704658969840 22.990 > 33 39 Na 0.12212039570032 0.83930805268803 0.74704658969840 22.990 > 33 40 Na 0.62212039570032 0.83930805268803 0.74704658969840 22.990 > 33 41 Na 0.00000000000000 0.42768412799316 0.49577841721195 22.990 > 41 42 Na 0.50000000000000 0.42768412799316 0.49577841721195 22.990 > 41 43 Na 0.00000000000000 0.92768412799316 0.49577841721195 22.990 > 41 44 Na 0.50000000000000 0.92768412799316 0.49577841721195 22.990 > 41 45 Na 0.00000000000000 0.42768412799316 0.99577841721195 22.990 > 41 46 Na 0.50000000000000 0.42768412799316 0.99577841721195 22.990 > 41 47 Na 0.00000000000000 0.92768412799316 0.99577841721195 22.990 > 41 48 Na 0.50000000000000 0.92768412799316 0.99577841721195 22.990 > 41 49 P 0.25000000000000 0.40905633450009 0.00055420726374 30.974 > 49 50 P 0.75000000000000 0.40905633450009 0.00055420726374 30.974 > 49 51 P 0.25000000000000 0.90905633450009 0.00055420726374 30.974 > 49 52 P 0.75000000000000 0.90905633450009 0.00055420726374 30.974 > 49 53 P 0.25000000000000 0.40905633450009 0.50055420726374 30.974 > 49 54 P 0.75000000000000 0.40905633450009 0.50055420726374 30.974 > 49 55 P 0.25000000000000 0.90905633450009 0.50055420726374 30.974 > 49 56 P 0.75000000000000 0.90905633450009 0.50055420726374 30.974 > 49 57 P 0.00000000000000 0.09094366549991 0.25055420726374 30.974 > 57 58 P 0.50000000000000 0.09094366549991 0.25055420726374 30.974 > 57 59 P 0.00000000000000 0.59094366549991 0.25055420726374 30.974 > 57 60 P 0.50000000000000 0.59094366549991 0.25055420726374 30.974 > 57 61 P 0.00000000000000 0.09094366549991 0.75055420726374 30.974 > 57 62 P 0.50000000000000 0.09094366549991 0.75055420726374 30.974 > 57 63 P 0.00000000000000 0.59094366549991 0.75055420726374 30.974 > 57 64 P 0.50000000000000 0.59094366549991 0.75055420726374 30.974 > 57 65 O 0.00000000000000 0.46545116177861 0.20558740580774 15.999 > 65 66 O 0.50000000000000 0.46545116177861 0.20558740580774 15.999 > 65 67 O 0.00000000000000 0.96545116177861 0.20558740580774 15.999 > 65 68 O 0.50000000000000 0.96545116177861 0.20558740580774 15.999 > 65 69 O 0.00000000000000 0.46545116177861 0.70558740580774 15.999 > 65 70 O 0.50000000000000 0.46545116177861 0.70558740580774 15.999 > 65 71 O 0.00000000000000 0.96545116177861 0.70558740580774 15.999 > 65 72 O 0.50000000000000 0.96545116177861 0.70558740580774 15.999 > 65 73 O 0.25000000000000 0.40592393887572 0.14266983915883 15.999 > 73 74 O 0.75000000000000 0.40592393887572 0.14266983915883 15.999 > 73 75 O 0.25000000000000 0.90592393887572 0.14266983915883 15.999 > 73 76 O 0.75000000000000 0.90592393887572 0.14266983915883 15.999 > 73 77 O 0.25000000000000 0.40592393887572 0.64266983915883 15.999 > 73 78 O 0.75000000000000 0.40592393887572 0.64266983915883 15.999 > 73 79 O 0.25000000000000 0.90592393887572 0.64266983915883 15.999 > 73 80 O 0.75000000000000 0.90592393887572 0.64266983915883 15.999 > 73 81 O 0.09379492263190 0.15262472147071 0.20274395558048 15.999 > 81 82 O 0.59379492263190 0.15262472147071 0.20274395558048 15.999 > 81 83 O 0.09379492263190 0.65262472147071 0.20274395558048 15.999 > 81 84 O 0.59379492263190 0.65262472147071 0.20274395558048 15.999 > 81 85 O 0.09379492263190 0.15262472147071 0.70274395558047 15.999 > 81 86 O 0.59379492263190 0.15262472147071 0.70274395558047 15.999 > 81 87 O 0.09379492263190 0.65262472147071 0.70274395558047 15.999 > 81 88 O 0.59379492263190 0.65262472147071 0.70274395558047 15.999 > 81 89 O 0.40620507736810 0.15262472147071 0.20274395558048 15.999 > 89 90 O 0.90620507736810 0.15262472147071 0.20274395558048 15.999 > 89 91 O 0.40620507736810 0.65262472147071 0.20274395558048 15.999 > 89 92 O 0.90620507736810 0.65262472147071 0.20274395558048 15.999 > 89 93 O 0.40620507736810 0.15262472147071 0.70274395558047 15.999 > 89 94 O 0.90620507736810 0.15262472147071 0.70274395558047 15.999 > 89 95 O 0.40620507736810 0.65262472147071 0.70274395558047 15.999 > 89 96 O 0.90620507736810 0.65262472147071 0.70274395558047 15.999 > 89 97 O 0.25000000000000 0.03454883822139 0.45558740580774 15.999 > 97 98 O 0.75000000000000 0.03454883822139 0.45558740580774 15.999 > 97 99 O 0.25000000000000 0.53454883822139 0.45558740580774 15.999 > 97 100 O 0.75000000000000 0.53454883822139 0.45558740580774 15.999 > 97 101 O 0.25000000000000 0.03454883822139 0.95558740580774 15.999 > 97 102 O 0.75000000000000 0.03454883822139 0.95558740580774 15.999 > 97 103 O 0.25000000000000 0.53454883822139 0.95558740580774 15.999 > 97 104 O 0.75000000000000 0.53454883822139 0.95558740580774 15.999 > 97 105 O 0.34379492263190 0.34737527852929 0.45274395558048 15.999 > 105 106 O 0.84379492263190 0.34737527852929 0.45274395558048 15.999 > 105 107 O 0.34379492263190 0.84737527852929 0.45274395558048 15.999 > 105 108 O 0.84379492263190 0.84737527852929 0.45274395558048 15.999 > 105 109 O 0.34379492263190 0.34737527852929 0.95274395558048 15.999 > 105 110 O 0.84379492263190 0.34737527852929 0.95274395558048 15.999 > 105 111 O 0.34379492263190 0.84737527852929 0.95274395558048 15.999 > 105 112 O 0.84379492263190 0.84737527852929 0.95274395558048 15.999 > 105 113 O 0.15620507736810 0.34737527852929 0.45274395558048 15.999 > 113 114 O 0.65620507736810 0.34737527852929 0.45274395558048 15.999 > 113 115 O 0.15620507736810 0.84737527852929 0.45274395558048 15.999 > 113 116 O 0.65620507736810 0.84737527852929 0.45274395558048 15.999 > 113 117 O 0.15620507736810 0.34737527852929 0.95274395558048 15.999 > 113 118 O 0.65620507736810 0.34737527852929 0.95274395558048 15.999 > 113 119 O 0.15620507736810 0.84737527852929 0.95274395558048 15.999 > 113 120 O 0.65620507736810 0.84737527852929 0.95274395558048 15.999 > 113 121 O 0.00000000000000 0.09407606112428 0.39266983915883 15.999 > 121 122 O 0.50000000000000 0.09407606112428 0.39266983915883 15.999 > 121 123 O 0.00000000000000 0.59407606112428 0.39266983915883 15.999 > 121 124 O 0.50000000000000 0.59407606112428 0.39266983915883 15.999 > 121 125 O 0.00000000000000 0.09407606112428 0.89266983915883 15.999 > 121 126 O 0.50000000000000 0.09407606112428 0.89266983915883 15.999 > 121 127 O 0.00000000000000 0.59407606112428 0.89266983915883 15.999 > 121 128 O 0.50000000000000 0.59407606112428 0.89266983915883 15.999 > 121----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.2659594 0.0000000 0.0000000 0.0000000 2.2542013 0.0000000 0.0000000 0.0000000 2.2691263-------------------------- Born effective charges -------------------------- 1 Na 0.9574417 -0.0556702 -0.0256616 0.0103199 1.0780025 0.0015750 0.0404932 -0.0226932 1.0330342 2 Na 1.1538162 0.0000000 0.0000000 0.0000000 0.9421250 -0.0020510 0.0000000 0.0494182 1.0757005 3 Na 0.9574417 -0.0556702 0.0256616 0.0103199 1.0780025 -0.0015750 -0.0404932 0.0226932 1.0330342 4 Na 0.9574417 0.0556702 -0.0256616 -0.0103199 1.0780025 -0.0015750 0.0404932 0.0226932 1.0330342 5 Na 0.9574417 0.0556702 0.0256616 -0.0103199 1.0780025 0.0015750 -0.0404932 -0.0226932 1.0330342 6 Na 1.1538162 0.0000000 0.0000000 0.0000000 0.9421250 0.0020510 0.0000000 -0.0494182 1.0757005 7 P 2.9245656 0.0000000 0.0000000 0.0000000 2.7347406 -0.0042763 0.0000000 -0.0081549 2.8567638 8 P 2.9245656 0.0000000 0.0000000 0.0000000 2.7347406 0.0042763 0.0000000 0.0081549 2.8567638 9 O -1.1527465 0.0000000 0.0000000 0.0000000 -2.0301161 -0.2923912 0.0000000 -0.3089701 -1.2598865 10 O -1.1370505 0.0000000 0.0000000 0.0000000 -1.0633493 0.0106790 0.0000000 0.0120746 -2.2034258 11 O -1.8517341 -0.4232767 0.2946549 -0.3759957 -1.3697026 0.1533825 0.3045579 0.1568634 -1.2676101 12 O -1.8517341 0.4232767 -0.2946549 0.3759957 -1.3697026 0.1533825 -0.3045579 0.1568634 -1.2676101 13 O -1.1527465 0.0000000 0.0000000 0.0000000 -2.0301161 0.2923912 0.0000000 0.3089701 -1.2598865 14 O -1.8517341 0.4232767 0.2946549 0.3759957 -1.3697026 -0.1533825 0.3045579 -0.1568634 -1.2676101 15 O -1.8517341 -0.4232767 -0.2946549 -0.3759957 -1.3697026 -0.1533825 -0.3045579 -0.1568634 -1.2676101 16 O -1.1370505 0.0000000 0.0000000 0.0000000 -1.0633493 -0.0106790 0.0000000 -0.0120746 -2.2034258----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 9, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 81, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000028 (yyy) 0.00000028 (yyy) 0.00000028 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000004 (yz) 0.00000004 (yz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 21:35:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:35:14]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pmn2_1 (31)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.820099110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.891788730000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.458784680000000Atomic positions (fractional): 1 Na 0.75575920859936 0.67861610537607 0.49409317939680 22.990 2 Na 0.50000000000000 0.14463174401369 0.49155683442391 22.990 3 Na 0.74424079140064 0.32138389462393 0.99409317939680 22.990 4 Na 0.25575920859936 0.32138389462393 0.99409317939680 22.990 5 Na 0.24424079140064 0.67861610537607 0.49409317939680 22.990 6 Na 0.00000000000000 0.85536825598631 0.99155683442391 22.990 7 P 0.50000000000000 0.81811266900017 0.00110841452748 30.974 8 P 0.00000000000000 0.18188733099983 0.50110841452748 30.974 9 O 0.00000000000000 0.93090232355723 0.41117481161548 15.999 10 O 0.50000000000000 0.81184787775144 0.28533967831766 15.999 11 O 0.18758984526381 0.30524944294142 0.40548791116095 15.999 12 O 0.81241015473619 0.30524944294142 0.40548791116095 15.999 13 O 0.50000000000000 0.06909767644277 0.91117481161548 15.999 14 O 0.68758984526381 0.69475055705858 0.90548791116095 15.999 15 O 0.31241015473619 0.69475055705858 0.90548791116095 15.999 16 O 0.00000000000000 0.18815212224856 0.78533967831766 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 13.640198220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.783577460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.917569360000000Atomic positions (fractional): 1 Na 0.37787960429968 0.33930805268803 0.24704658969840 22.990 > 1 2 Na 0.87787960429968 0.33930805268803 0.24704658969840 22.990 > 1 3 Na 0.37787960429968 0.83930805268803 0.24704658969840 22.990 > 1 4 Na 0.87787960429968 0.83930805268803 0.24704658969840 22.990 > 1 5 Na 0.37787960429968 0.33930805268803 0.74704658969840 22.990 > 1 6 Na 0.87787960429968 0.33930805268803 0.74704658969840 22.990 > 1 7 Na 0.37787960429968 0.83930805268803 0.74704658969840 22.990 > 1 8 Na 0.87787960429968 0.83930805268803 0.74704658969840 22.990 > 1 9 Na 0.25000000000000 0.07231587200685 0.24577841721195 22.990 > 9 10 Na 0.75000000000000 0.07231587200685 0.24577841721195 22.990 > 9 11 Na 0.25000000000000 0.57231587200684 0.24577841721195 22.990 > 9 12 Na 0.75000000000000 0.57231587200684 0.24577841721195 22.990 > 9 13 Na 0.25000000000000 0.07231587200685 0.74577841721195 22.990 > 9 14 Na 0.75000000000000 0.07231587200685 0.74577841721195 22.990 > 9 15 Na 0.25000000000000 0.57231587200684 0.74577841721195 22.990 > 9 16 Na 0.75000000000000 0.57231587200684 0.74577841721195 22.990 > 9 17 Na 0.37212039570032 0.16069194731197 0.49704658969840 22.990 > 17 18 Na 0.87212039570032 0.16069194731197 0.49704658969840 22.990 > 17 19 Na 0.37212039570032 0.66069194731197 0.49704658969840 22.990 > 17 20 Na 0.87212039570032 0.66069194731197 0.49704658969840 22.990 > 17 21 Na 0.37212039570032 0.16069194731197 0.99704658969840 22.990 > 17 22 Na 0.87212039570032 0.16069194731197 0.99704658969840 22.990 > 17 23 Na 0.37212039570032 0.66069194731197 0.99704658969840 22.990 > 17 24 Na 0.87212039570032 0.66069194731197 0.99704658969840 22.990 > 17 25 Na 0.12787960429968 0.16069194731197 0.49704658969840 22.990 > 25 26 Na 0.62787960429968 0.16069194731197 0.49704658969840 22.990 > 25 27 Na 0.12787960429968 0.66069194731197 0.49704658969840 22.990 > 25 28 Na 0.62787960429968 0.66069194731197 0.49704658969840 22.990 > 25 29 Na 0.12787960429968 0.16069194731197 0.99704658969840 22.990 > 25 30 Na 0.62787960429968 0.16069194731197 0.99704658969840 22.990 > 25 31 Na 0.12787960429968 0.66069194731197 0.99704658969840 22.990 > 25 32 Na 0.62787960429968 0.66069194731197 0.99704658969840 22.990 > 25 33 Na 0.12212039570032 0.33930805268803 0.24704658969840 22.990 > 33 34 Na 0.62212039570032 0.33930805268803 0.24704658969840 22.990 > 33 35 Na 0.12212039570032 0.83930805268803 0.24704658969840 22.990 > 33 36 Na 0.62212039570032 0.83930805268803 0.24704658969840 22.990 > 33 37 Na 0.12212039570032 0.33930805268803 0.74704658969840 22.990 > 33 38 Na 0.62212039570032 0.33930805268803 0.74704658969840 22.990 > 33 39 Na 0.12212039570032 0.83930805268803 0.74704658969840 22.990 > 33 40 Na 0.62212039570032 0.83930805268803 0.74704658969840 22.990 > 33 41 Na 0.00000000000000 0.42768412799316 0.49577841721195 22.990 > 41 42 Na 0.50000000000000 0.42768412799316 0.49577841721195 22.990 > 41 43 Na 0.00000000000000 0.92768412799316 0.49577841721195 22.990 > 41 44 Na 0.50000000000000 0.92768412799316 0.49577841721195 22.990 > 41 45 Na 0.00000000000000 0.42768412799316 0.99577841721195 22.990 > 41 46 Na 0.50000000000000 0.42768412799316 0.99577841721195 22.990 > 41 47 Na 0.00000000000000 0.92768412799316 0.99577841721195 22.990 > 41 48 Na 0.50000000000000 0.92768412799316 0.99577841721195 22.990 > 41 49 P 0.25000000000000 0.40905633450009 0.00055420726374 30.974 > 49 50 P 0.75000000000000 0.40905633450009 0.00055420726374 30.974 > 49 51 P 0.25000000000000 0.90905633450009 0.00055420726374 30.974 > 49 52 P 0.75000000000000 0.90905633450009 0.00055420726374 30.974 > 49 53 P 0.25000000000000 0.40905633450009 0.50055420726374 30.974 > 49 54 P 0.75000000000000 0.40905633450009 0.50055420726374 30.974 > 49 55 P 0.25000000000000 0.90905633450009 0.50055420726374 30.974 > 49 56 P 0.75000000000000 0.90905633450009 0.50055420726374 30.974 > 49 57 P 0.00000000000000 0.09094366549991 0.25055420726374 30.974 > 57 58 P 0.50000000000000 0.09094366549991 0.25055420726374 30.974 > 57 59 P 0.00000000000000 0.59094366549991 0.25055420726374 30.974 > 57 60 P 0.50000000000000 0.59094366549991 0.25055420726374 30.974 > 57 61 P 0.00000000000000 0.09094366549991 0.75055420726374 30.974 > 57 62 P 0.50000000000000 0.09094366549991 0.75055420726374 30.974 > 57 63 P 0.00000000000000 0.59094366549991 0.75055420726374 30.974 > 57 64 P 0.50000000000000 0.59094366549991 0.75055420726374 30.974 > 57 65 O 0.00000000000000 0.46545116177861 0.20558740580774 15.999 > 65 66 O 0.50000000000000 0.46545116177861 0.20558740580774 15.999 > 65 67 O 0.00000000000000 0.96545116177861 0.20558740580774 15.999 > 65 68 O 0.50000000000000 0.96545116177861 0.20558740580774 15.999 > 65 69 O 0.00000000000000 0.46545116177861 0.70558740580774 15.999 > 65 70 O 0.50000000000000 0.46545116177861 0.70558740580774 15.999 > 65 71 O 0.00000000000000 0.96545116177861 0.70558740580774 15.999 > 65 72 O 0.50000000000000 0.96545116177861 0.70558740580774 15.999 > 65 73 O 0.25000000000000 0.40592393887572 0.14266983915883 15.999 > 73 74 O 0.75000000000000 0.40592393887572 0.14266983915883 15.999 > 73 75 O 0.25000000000000 0.90592393887572 0.14266983915883 15.999 > 73 76 O 0.75000000000000 0.90592393887572 0.14266983915883 15.999 > 73 77 O 0.25000000000000 0.40592393887572 0.64266983915883 15.999 > 73 78 O 0.75000000000000 0.40592393887572 0.64266983915883 15.999 > 73 79 O 0.25000000000000 0.90592393887572 0.64266983915883 15.999 > 73 80 O 0.75000000000000 0.90592393887572 0.64266983915883 15.999 > 73 81 O 0.09379492263190 0.15262472147071 0.20274395558048 15.999 > 81 82 O 0.59379492263190 0.15262472147071 0.20274395558048 15.999 > 81 83 O 0.09379492263190 0.65262472147071 0.20274395558048 15.999 > 81 84 O 0.59379492263190 0.65262472147071 0.20274395558048 15.999 > 81 85 O 0.09379492263190 0.15262472147071 0.70274395558047 15.999 > 81 86 O 0.59379492263190 0.15262472147071 0.70274395558047 15.999 > 81 87 O 0.09379492263190 0.65262472147071 0.70274395558047 15.999 > 81 88 O 0.59379492263190 0.65262472147071 0.70274395558047 15.999 > 81 89 O 0.40620507736810 0.15262472147071 0.20274395558048 15.999 > 89 90 O 0.90620507736810 0.15262472147071 0.20274395558048 15.999 > 89 91 O 0.40620507736810 0.65262472147071 0.20274395558048 15.999 > 89 92 O 0.90620507736810 0.65262472147071 0.20274395558048 15.999 > 89 93 O 0.40620507736810 0.15262472147071 0.70274395558047 15.999 > 89 94 O 0.90620507736810 0.15262472147071 0.70274395558047 15.999 > 89 95 O 0.40620507736810 0.65262472147071 0.70274395558047 15.999 > 89 96 O 0.90620507736810 0.65262472147071 0.70274395558047 15.999 > 89 97 O 0.25000000000000 0.03454883822139 0.45558740580774 15.999 > 97 98 O 0.75000000000000 0.03454883822139 0.45558740580774 15.999 > 97 99 O 0.25000000000000 0.53454883822139 0.45558740580774 15.999 > 97 100 O 0.75000000000000 0.53454883822139 0.45558740580774 15.999 > 97 101 O 0.25000000000000 0.03454883822139 0.95558740580774 15.999 > 97 102 O 0.75000000000000 0.03454883822139 0.95558740580774 15.999 > 97 103 O 0.25000000000000 0.53454883822139 0.95558740580774 15.999 > 97 104 O 0.75000000000000 0.53454883822139 0.95558740580774 15.999 > 97 105 O 0.34379492263190 0.34737527852929 0.45274395558048 15.999 > 105 106 O 0.84379492263190 0.34737527852929 0.45274395558048 15.999 > 105 107 O 0.34379492263190 0.84737527852929 0.45274395558048 15.999 > 105 108 O 0.84379492263190 0.84737527852929 0.45274395558048 15.999 > 105 109 O 0.34379492263190 0.34737527852929 0.95274395558048 15.999 > 105 110 O 0.84379492263190 0.34737527852929 0.95274395558048 15.999 > 105 111 O 0.34379492263190 0.84737527852929 0.95274395558048 15.999 > 105 112 O 0.84379492263190 0.84737527852929 0.95274395558048 15.999 > 105 113 O 0.15620507736810 0.34737527852929 0.45274395558048 15.999 > 113 114 O 0.65620507736810 0.34737527852929 0.45274395558048 15.999 > 113 115 O 0.15620507736810 0.84737527852929 0.45274395558048 15.999 > 113 116 O 0.65620507736810 0.84737527852929 0.45274395558048 15.999 > 113 117 O 0.15620507736810 0.34737527852929 0.95274395558048 15.999 > 113 118 O 0.65620507736810 0.34737527852929 0.95274395558048 15.999 > 113 119 O 0.15620507736810 0.84737527852929 0.95274395558048 15.999 > 113 120 O 0.65620507736810 0.84737527852929 0.95274395558048 15.999 > 113 121 O 0.00000000000000 0.09407606112428 0.39266983915883 15.999 > 121 122 O 0.50000000000000 0.09407606112428 0.39266983915883 15.999 > 121 123 O 0.00000000000000 0.59407606112428 0.39266983915883 15.999 > 121 124 O 0.50000000000000 0.59407606112428 0.39266983915883 15.999 > 121 125 O 0.00000000000000 0.09407606112428 0.89266983915883 15.999 > 121 126 O 0.50000000000000 0.09407606112428 0.89266983915883 15.999 > 121 127 O 0.00000000000000 0.59407606112428 0.89266983915883 15.999 > 121 128 O 0.50000000000000 0.59407606112428 0.89266983915883 15.999 > 121----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.2659594 0.0000000 0.0000000 0.0000000 2.2542013 0.0000000 0.0000000 0.0000000 2.2691263-------------------------- Born effective charges -------------------------- 1 Na 0.9574417 -0.0556702 -0.0256616 0.0103199 1.0780025 0.0015750 0.0404932 -0.0226932 1.0330342 2 Na 1.1538162 0.0000000 0.0000000 0.0000000 0.9421250 -0.0020510 0.0000000 0.0494182 1.0757005 3 Na 0.9574417 -0.0556702 0.0256616 0.0103199 1.0780025 -0.0015750 -0.0404932 0.0226932 1.0330342 4 Na 0.9574417 0.0556702 -0.0256616 -0.0103199 1.0780025 -0.0015750 0.0404932 0.0226932 1.0330342 5 Na 0.9574417 0.0556702 0.0256616 -0.0103199 1.0780025 0.0015750 -0.0404932 -0.0226932 1.0330342 6 Na 1.1538162 0.0000000 0.0000000 0.0000000 0.9421250 0.0020510 0.0000000 -0.0494182 1.0757005 7 P 2.9245656 0.0000000 0.0000000 0.0000000 2.7347406 -0.0042763 0.0000000 -0.0081549 2.8567638 8 P 2.9245656 0.0000000 0.0000000 0.0000000 2.7347406 0.0042763 0.0000000 0.0081549 2.8567638 9 O -1.1527465 0.0000000 0.0000000 0.0000000 -2.0301161 -0.2923912 0.0000000 -0.3089701 -1.2598865 10 O -1.1370505 0.0000000 0.0000000 0.0000000 -1.0633493 0.0106790 0.0000000 0.0120746 -2.2034258 11 O -1.8517341 -0.4232767 0.2946549 -0.3759957 -1.3697026 0.1533825 0.3045579 0.1568634 -1.2676101 12 O -1.8517341 0.4232767 -0.2946549 0.3759957 -1.3697026 0.1533825 -0.3045579 0.1568634 -1.2676101 13 O -1.1527465 0.0000000 0.0000000 0.0000000 -2.0301161 0.2923912 0.0000000 0.3089701 -1.2598865 14 O -1.8517341 0.4232767 0.2946549 0.3759957 -1.3697026 -0.1533825 0.3045579 -0.1568634 -1.2676101 15 O -1.8517341 -0.4232767 -0.2946549 -0.3759957 -1.3697026 -0.1533825 -0.3045579 -0.1568634 -1.2676101 16 O -1.1370505 0.0000000 0.0000000 0.0000000 -1.0633493 -0.0106790 0.0000000 -0.0120746 -2.2034258----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000028 (yyy) 0.00000028 (yyy) 0.00000028 (yyy)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 7 8 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: 0.69, Number of G-points: 287, Lambda: 0.11Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/100) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 2.365 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 -0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 4.330 ( 0.000 0.000 -0.000) 0.000 4.537 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 -0.000) 0.000 5.034 ( 0.000 0.000 -0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.651 ( 0.000 0.000 0.000) 0.000 5.711 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 6.184 ( 0.000 0.000 0.000) 0.000 6.312 ( 0.000 0.000 0.000) 0.000 6.708 ( 0.000 0.000 0.000) 0.000 6.751 ( 0.000 0.000 0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 -0.000) 0.000 7.385 ( 0.000 0.000 0.000) 0.000 7.573 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 -0.000) 0.000 8.155 ( 0.000 0.000 0.000) 0.000 8.246 ( 0.000 0.000 -0.000) 0.000 8.363 ( 0.000 0.000 -0.000) 0.000 8.431 ( 0.000 0.000 0.000) 0.000 8.455 ( 0.000 0.000 -0.000) 0.000 12.166 ( 0.000 0.000 0.000) 0.000 12.490 ( 0.000 0.000 0.000) 0.000 12.862 ( 0.000 0.000 -0.000) 0.000 13.158 ( 0.000 0.000 0.000) 0.000 16.187 ( 0.000 0.000 0.000) 0.000 16.242 ( 0.000 0.000 0.000) 0.000 16.397 ( 0.000 0.000 0.000) 0.000 16.602 ( 0.000 0.000 -0.000) 0.000 16.675 ( 0.000 0.000 -0.000) 0.000 16.961 ( 0.000 0.000 -0.000) 0.000 26.766 ( 0.000 0.000 0.000) 0.000 26.826 ( 0.000 0.000 -0.000) 0.000 28.935 ( 0.000 0.000 0.000) 0.000 29.301 ( 0.000 0.000 0.000) 0.000 29.686 ( 0.000 0.000 0.000) 0.000 29.788 ( 0.000 0.000 -0.000) 0.000 29.972 ( 0.000 0.000 0.000) 0.000 30.354 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/100) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.596 ( 31.076 0.000 0.000) 31.076 0.709 ( 33.875 0.000 0.000) 33.875 1.144 ( 53.518 0.000 0.000) 53.518 2.610 ( 20.338 0.000 0.000) 20.338 2.738 ( 4.858 0.000 0.000) 4.858 3.078 ( 25.472 0.000 0.000) 25.472 3.840 ( -6.251 0.000 0.000) 6.251 4.141 ( -15.670 0.000 0.000) 15.670 4.475 ( -4.280 0.000 0.000) 4.280 4.550 ( 4.022 0.000 0.000) 4.022 5.002 ( -4.336 0.000 0.000) 4.336 5.180 ( -2.506 0.000 0.000) 2.506 5.664 ( -8.087 0.000 0.000) 8.087 5.723 ( 6.827 0.000 0.000) 6.827 5.988 ( 7.531 0.000 0.000) 7.531 6.275 ( 3.385 0.000 0.000) 3.385 6.580 ( -14.590 0.000 0.000) 14.590 6.604 ( -7.386 0.000 0.000) 7.386 6.859 ( 2.757 0.000 0.000) 2.757 6.925 ( -11.551 0.000 0.000) 11.551 7.186 ( -3.286 0.000 0.000) 3.286 7.273 ( -6.226 0.000 0.000) 6.226 7.432 ( 3.601 0.000 0.000) 3.601 7.617 ( 3.126 0.000 0.000) 3.126 7.874 ( 10.390 0.000 0.000) 10.390 8.145 ( -0.891 0.000 0.000) 0.891 8.246 ( -0.079 0.000 0.000) 0.079 8.342 ( -3.380 0.000 0.000) 3.380 8.604 ( 8.871 0.000 0.000) 8.871 9.513 ( -4.764 0.000 0.000) 4.764 12.182 ( 1.419 0.000 0.000) 1.419 12.469 ( -1.870 0.000 0.000) 1.870 12.880 ( 1.640 0.000 0.000) 1.640 13.146 ( -1.150 0.000 0.000) 1.150 16.200 ( 1.186 0.000 0.000) 1.186 16.251 ( 0.804 0.000 0.000) 0.804 16.587 ( -1.296 0.000 0.000) 1.296 16.653 ( -1.876 0.000 0.000) 1.876 16.925 ( 0.967 0.000 0.000) 0.967 16.965 ( 0.332 0.000 0.000) 0.332 26.768 ( 0.180 0.000 0.000) 0.180 26.821 ( -0.457 0.000 0.000) 0.457 29.297 ( -0.375 0.000 0.000) 0.375 29.641 ( -8.822 0.000 0.000) 8.822 29.710 ( 2.308 0.000 0.000) 2.308 30.133 ( 8.903 0.000 0.000) 8.903 30.341 ( 0.004 0.000 0.000) 0.004 31.146 ( -2.368 0.000 0.000) 2.368======================= Grid point 2 (3/100) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.296 ( 35.127 0.000 0.000) 35.127 1.416 ( 33.495 0.000 0.000) 33.495 2.215 ( 47.687 0.000 0.000) 47.687 2.908 ( 11.428 0.000 0.000) 11.428 2.983 ( 6.408 0.000 0.000) 6.408 3.477 ( -24.930 0.000 0.000) 24.930 3.583 ( 9.707 0.000 0.000) 9.707 3.904 ( 5.035 0.000 0.000) 5.035 4.452 ( 5.628 0.000 0.000) 5.628 4.808 ( -13.356 0.000 0.000) 13.356 4.842 ( 19.013 0.000 0.000) 19.013 5.127 ( 0.349 0.000 0.000) 0.349 5.487 ( -7.975 0.000 0.000) 7.975 5.900 ( -18.124 0.000 0.000) 18.124 5.902 ( 8.711 0.000 0.000) 8.711 6.298 ( -11.187 0.000 0.000) 11.187 6.416 ( -10.582 0.000 0.000) 10.582 6.424 ( 10.391 0.000 0.000) 10.391 6.584 ( -18.223 0.000 0.000) 18.223 6.873 ( -1.497 0.000 0.000) 1.497 7.146 ( -0.594 0.000 0.000) 0.594 7.187 ( -2.597 0.000 0.000) 2.597 7.531 ( 5.591 0.000 0.000) 5.591 7.676 ( 2.291 0.000 0.000) 2.291 8.045 ( 4.853 0.000 0.000) 4.853 8.113 ( -2.230 0.000 0.000) 2.230 8.247 ( 0.628 0.000 0.000) 0.628 8.300 ( -0.656 0.000 0.000) 0.656 8.804 ( 9.929 0.000 0.000) 9.929 9.380 ( -7.617 0.000 0.000) 7.617 12.223 ( 2.434 0.000 0.000) 2.434 12.417 ( -3.032 0.000 0.000) 3.032 12.927 ( 2.780 0.000 0.000) 2.780 13.111 ( -2.177 0.000 0.000) 2.177 16.233 ( 1.802 0.000 0.000) 1.802 16.272 ( 1.014 0.000 0.000) 1.014 16.556 ( -1.405 0.000 0.000) 1.405 16.606 ( -2.437 0.000 0.000) 2.437 16.946 ( 0.972 0.000 0.000) 0.972 16.971 ( 0.198 0.000 0.000) 0.198 26.773 ( 0.349 0.000 0.000) 0.349 26.808 ( -0.669 0.000 0.000) 0.669 29.290 ( -0.085 0.000 0.000) 0.085 29.475 ( -6.844 0.000 0.000) 6.844 29.783 ( 4.673 0.000 0.000) 4.673 30.167 ( -4.407 0.000 0.000) 4.407 30.476 ( 11.389 0.000 0.000) 11.389 31.067 ( -5.192 0.000 0.000) 5.192======================= Grid point 3 (4/100) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.039 ( 35.095 0.000 0.000) 35.095 2.102 ( 31.561 0.000 0.000) 31.561 2.718 ( -22.842 0.000 0.000) 22.842 2.720 ( -25.114 0.000 0.000) 25.114 3.183 ( 14.520 0.000 0.000) 14.520 3.314 ( 32.768 0.000 0.000) 32.768 3.485 ( -12.113 0.000 0.000) 12.113 4.004 ( -21.887 0.000 0.000) 21.887 4.536 ( 19.399 0.000 0.000) 19.399 4.989 ( 21.342 0.000 0.000) 21.342 5.007 ( -12.076 0.000 0.000) 12.076 5.266 ( 17.311 0.000 0.000) 17.311 5.296 ( -14.290 0.000 0.000) 14.290 5.655 ( 7.494 0.000 0.000) 7.494 5.868 ( -27.758 0.000 0.000) 27.758 5.963 ( -8.499 0.000 0.000) 8.499 6.241 ( -0.663 0.000 0.000) 0.663 6.333 ( -6.507 0.000 0.000) 6.507 6.648 ( 9.422 0.000 0.000) 9.422 6.803 ( -5.257 0.000 0.000) 5.257 7.141 ( -0.063 0.000 0.000) 0.063 7.150 ( -1.044 0.000 0.000) 1.044 7.647 ( 4.793 0.000 0.000) 4.793 7.703 ( -0.284 0.000 0.000) 0.284 8.069 ( -1.213 0.000 0.000) 1.213 8.073 ( -0.838 0.000 0.000) 0.838 8.278 ( 1.704 0.000 0.000) 1.704 8.298 ( -0.152 0.000 0.000) 0.152 9.011 ( 9.652 0.000 0.000) 9.652 9.205 ( -8.868 0.000 0.000) 8.868 12.281 ( 3.057 0.000 0.000) 3.057 12.349 ( -3.334 0.000 0.000) 3.334 12.991 ( 3.196 0.000 0.000) 3.196 13.057 ( -2.929 0.000 0.000) 2.929 16.269 ( 1.421 0.000 0.000) 1.421 16.285 ( -0.006 0.000 0.000) 0.006 16.540 ( 0.021 0.000 0.000) 0.021 16.560 ( -1.781 0.000 0.000) 1.781 16.963 ( 0.597 0.000 0.000) 0.597 16.971 ( -0.189 0.000 0.000) 0.189 26.782 ( 0.506 0.000 0.000) 0.506 26.794 ( -0.639 0.000 0.000) 0.639 29.302 ( 1.490 0.000 0.000) 1.490 29.360 ( -4.082 0.000 0.000) 4.082 29.901 ( 6.406 0.000 0.000) 6.406 30.042 ( -6.743 0.000 0.000) 6.743 30.720 ( 11.084 0.000 0.000) 11.084 30.925 ( -8.372 0.000 0.000) 8.372======================= Grid point 7 (5/100) =======================q-point: ( 0.00 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.551 ( 0.000 24.667 0.000) 24.667 0.603 ( 0.000 28.256 0.000) 28.256 1.210 ( 0.000 54.456 0.000) 54.456 2.489 ( 0.000 11.069 0.000) 11.069 2.688 ( 0.000 -8.743 0.000) 8.743 2.954 ( 0.000 21.107 0.000) 21.107 3.715 ( 0.000 -9.415 0.000) 9.415 4.218 ( 0.000 -10.129 0.000) 10.129 4.456 ( 0.000 -8.155 0.000) 8.155 4.497 ( 0.000 -7.351 0.000) 7.351 4.954 ( 0.000 -8.384 0.000) 8.384 5.208 ( 0.000 -0.084 0.000) 0.084 5.437 ( 0.000 -14.346 0.000) 14.346 5.706 ( 0.000 -3.397 0.000) 3.397 5.868 ( 0.000 4.098 0.000) 4.098 6.133 ( 0.000 -6.066 0.000) 6.066 6.323 ( 0.000 1.072 0.000) 1.072 6.664 ( 0.000 -8.608 0.000) 8.608 6.795 ( 0.000 4.572 0.000) 4.572 6.920 ( 0.000 8.482 0.000) 8.482 7.302 ( 0.000 11.731 0.000) 11.731 7.431 ( 0.000 4.151 0.000) 4.151 7.688 ( 0.000 17.635 0.000) 17.635 7.690 ( 0.000 -2.268 0.000) 2.268 7.852 ( 0.000 -4.957 0.000) 4.957 8.182 ( 0.000 -5.329 0.000) 5.329 8.343 ( 0.000 0.193 0.000) 0.193 8.347 ( 0.000 -1.296 0.000) 1.296 8.469 ( 0.000 1.124 0.000) 1.124 9.700 ( 0.000 -10.530 0.000) 10.530 12.190 ( 0.000 2.106 0.000) 2.106 12.487 ( 0.000 -1.262 0.000) 1.262 12.867 ( 0.000 0.399 0.000) 0.399 13.155 ( 0.000 -0.245 0.000) 0.245 16.189 ( 0.000 0.170 0.000) 0.170 16.399 ( 0.000 0.197 0.000) 0.197 16.477 ( 0.000 -0.876 0.000) 0.876 16.662 ( 0.000 -0.944 0.000) 0.944 16.849 ( 0.000 2.394 0.000) 2.394 16.957 ( 0.000 -0.329 0.000) 0.329 26.771 ( 0.000 0.440 0.000) 0.440 26.828 ( 0.000 0.131 0.000) 0.131 28.952 ( 0.000 1.586 0.000) 1.586 29.345 ( 0.000 3.921 0.000) 3.921 29.696 ( 0.000 0.965 0.000) 0.965 29.945 ( 0.000 -2.393 0.000) 2.393 30.267 ( 0.000 -2.824 0.000) 2.824 31.828 ( 0.000 -0.321 0.000) 0.321======================= Grid point 8 (6/100) =======================q-point: ( 0.14 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.786 ( 17.221 16.669 0.000) 23.967 0.923 ( 25.074 17.791 0.000) 30.744 1.633 ( 37.058 35.348 0.000) 51.213 2.609 ( 6.311 6.244 0.000) 8.878 2.952 ( 15.456 1.614 0.000) 15.540 3.069 ( 22.049 9.576 0.000) 24.039 3.711 ( -6.742 -8.224 0.000) 10.634 4.077 ( -12.188 -5.718 0.000) 13.462 4.391 ( -3.153 -8.175 0.000) 8.762 4.474 ( 4.419 -6.615 0.000) 7.955 4.929 ( -3.173 -6.120 0.000) 6.894 5.190 ( 0.151 -0.002 0.000) 0.151 5.610 ( 8.986 -9.500 0.000) 13.077 5.720 ( -7.208 4.373 0.000) 8.431 5.903 ( 6.736 -11.371 0.000) 13.216 6.248 ( 7.188 -2.653 0.000) 7.662 6.395 ( 2.316 -12.176 0.000) 12.394 6.545 ( -11.325 -7.619 0.000) 13.649 6.676 ( -8.877 2.874 0.000) 9.330 6.852 ( -4.087 7.032 0.000) 8.133 7.350 ( 1.703 10.074 0.000) 10.217 7.464 ( 2.868 3.261 0.000) 4.343 7.475 ( -8.076 7.065 0.000) 10.730 7.707 ( -4.778 4.887 0.000) 6.835 7.947 ( 6.694 3.524 0.000) 7.565 8.093 ( -3.147 -5.139 0.000) 6.026 8.275 ( -1.272 1.582 0.000) 2.030 8.447 ( -0.327 5.372 0.000) 5.382 8.573 ( 9.755 -2.526 0.000) 10.076 9.499 ( -11.712 -5.457 0.000) 12.921 12.179 ( 0.207 1.002 0.000) 1.023 12.459 ( -2.182 -1.095 0.000) 2.441 12.917 ( 2.925 1.699 0.000) 3.382 13.147 ( -0.772 0.139 0.000) 0.785 16.187 ( 0.316 -0.464 0.000) 0.561 16.296 ( -2.083 2.477 0.000) 3.236 16.543 ( 0.554 -2.906 0.000) 2.958 16.648 ( -1.340 -0.499 0.000) 1.430 16.896 ( 2.130 -0.208 0.000) 2.140 16.975 ( 1.041 0.068 0.000) 1.043 26.773 ( 0.158 0.396 0.000) 0.426 26.822 ( -0.481 0.156 0.000) 0.506 29.192 ( 7.452 -11.723 0.000) 13.891 29.380 ( 2.408 -2.790 0.000) 3.685 29.718 ( 2.230 0.646 0.000) 2.322 30.042 ( 8.758 -1.160 0.000) 8.835 30.286 ( 2.275 -3.785 0.000) 4.416 31.534 ( -17.769 13.684 0.000) 22.427======================= Grid point 9 (7/100) =======================q-point: ( 0.29 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.262 ( 27.765 0.386 0.000) 27.768 1.518 ( 30.253 9.276 0.000) 31.643 2.513 ( 42.097 20.849 0.000) 46.977 2.715 ( 3.219 -7.249 0.000) 7.932 3.177 ( -1.852 4.373 0.000) 4.749 3.374 ( -14.375 -4.539 0.000) 15.074 3.552 ( 3.539 -0.729 0.000) 3.613 3.986 ( 17.247 7.843 0.000) 18.947 4.390 ( 6.670 -5.482 0.000) 8.634 4.750 ( 7.658 -4.930 0.000) 9.107 4.866 ( 6.077 -0.804 0.000) 6.130 5.146 ( -3.199 2.988 0.000) 4.378 5.490 ( -10.120 -1.138 0.000) 10.184 5.789 ( 1.843 -11.848 0.000) 11.990 5.913 ( -9.478 -0.229 0.000) 9.481 6.236 ( -10.072 -6.616 0.000) 12.050 6.305 ( -9.471 -10.091 0.000) 13.839 6.386 ( 0.736 0.002 0.000) 0.736 6.504 ( -3.376 2.763 0.000) 4.363 6.818 ( -0.606 -1.962 0.000) 2.053 7.332 ( -2.360 10.849 0.000) 11.103 7.367 ( -3.247 9.351 0.000) 9.899 7.537 ( 3.769 1.615 0.000) 4.101 7.639 ( -0.767 0.331 0.000) 0.835 8.031 ( -0.680 -1.912 0.000) 2.029 8.043 ( -1.185 -4.118 0.000) 4.285 8.294 ( 2.987 4.208 0.000) 5.160 8.427 ( -1.041 7.108 0.000) 7.184 8.772 ( 9.121 -2.966 0.000) 9.591 9.292 ( -8.558 -8.260 0.000) 11.894 12.206 ( 2.118 -0.690 0.000) 2.228 12.402 ( -3.175 -1.250 0.000) 3.412 12.975 ( 2.724 3.246 0.000) 4.238 13.123 ( -1.543 1.092 0.000) 1.891 16.213 ( 2.002 -1.351 0.000) 2.416 16.287 ( 0.295 1.088 0.000) 1.127 16.533 ( -0.759 -1.820 0.000) 1.972 16.609 ( -2.213 0.146 0.000) 2.217 16.928 ( 1.186 -0.795 0.000) 1.427 16.983 ( -0.223 0.425 0.000) 0.480 26.778 ( 0.335 0.363 0.000) 0.494 26.810 ( -0.595 0.209 0.000) 0.630 29.244 ( 0.491 -5.128 0.000) 5.151 29.366 ( -3.023 -6.189 0.000) 6.888 29.790 ( 4.503 0.190 0.000) 4.507 30.128 ( -2.102 -1.642 0.000) 2.667 30.451 ( 12.990 -1.678 0.000) 13.098 31.230 ( -12.053 10.600 0.000) 16.051======================= Grid point 10 (8/100) =======================q-point: ( 0.43 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( 31.330 -10.455 0.000) 33.028 2.156 ( 30.057 4.902 0.000) 30.454 2.509 ( -24.254 -16.629 0.000) 29.408 2.745 ( -24.649 1.747 0.000) 24.711 3.189 ( 11.655 0.799 0.000) 11.683 3.436 ( -10.444 -1.494 0.000) 10.551 3.538 ( 33.552 17.995 0.000) 38.073 4.203 ( -21.553 13.357 0.000) 25.356 4.658 ( 25.210 11.550 0.000) 27.730 4.883 ( 18.328 -7.818 0.000) 19.926 5.088 ( -1.006 1.596 0.000) 1.887 5.210 ( 4.173 -0.994 0.000) 4.290 5.296 ( -8.660 -2.129 0.000) 8.918 5.613 ( -7.865 -17.339 0.000) 19.040 5.651 ( -8.490 -1.209 0.000) 8.575 5.952 ( -16.901 -4.746 0.000) 17.555 6.243 ( 2.222 -1.595 0.000) 2.735 6.313 ( -3.594 2.282 0.000) 4.257 6.614 ( 8.130 -1.400 0.000) 8.250 6.761 ( -5.169 -2.790 0.000) 5.874 7.294 ( -0.506 11.809 0.000) 11.820 7.314 ( -2.056 11.977 0.000) 12.152 7.615 ( 3.426 -2.342 0.000) 4.150 7.651 ( 0.386 -3.319 0.000) 3.341 7.985 ( -1.095 -6.213 0.000) 6.309 8.008 ( -2.571 -3.292 0.000) 4.177 8.365 ( 2.974 5.715 0.000) 6.442 8.407 ( -1.161 6.335 0.000) 6.440 8.955 ( 8.330 -5.109 0.000) 9.772 9.123 ( -7.871 -7.532 0.000) 10.894 12.261 ( 3.083 -1.283 0.000) 3.340 12.331 ( -3.462 -1.351 0.000) 3.717 13.031 ( 2.659 3.126 0.000) 4.104 13.083 ( -2.232 2.235 0.000) 3.159 16.258 ( 2.010 -0.831 0.000) 2.175 16.287 ( -0.624 0.149 0.000) 0.642 16.530 ( 0.679 -0.821 0.000) 1.065 16.562 ( -2.145 0.053 0.000) 2.146 16.951 ( 1.029 -0.792 0.000) 1.298 16.971 ( -0.854 -0.219 0.000) 0.881 26.787 ( 0.476 0.354 0.000) 0.593 26.798 ( -0.576 0.308 0.000) 0.653 29.257 ( 1.114 -4.138 0.000) 4.285 29.299 ( -2.841 -4.726 0.000) 5.514 29.902 ( 6.064 -0.269 0.000) 6.070 30.032 ( -5.976 -0.934 0.000) 6.048 30.733 ( 13.087 1.543 0.000) 13.177 30.990 ( -11.505 5.238 0.000) 12.642======================= Grid point 14 (9/100) =======================q-point: ( 0.00 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.016 ( 0.000 18.411 0.000) 18.411 1.193 ( 0.000 27.186 0.000) 27.186 2.242 ( 0.000 40.762 0.000) 40.762 2.373 ( 0.000 -19.759 0.000) 19.759 2.826 ( 0.000 18.668 0.000) 18.668 3.289 ( 0.000 2.493 0.000) 2.493 3.520 ( 0.000 -6.377 0.000) 6.377 3.934 ( 0.000 -15.929 0.000) 15.929 4.344 ( 0.000 -4.465 0.000) 4.465 4.458 ( 0.000 14.620 0.000) 14.620 4.670 ( 0.000 -17.268 0.000) 17.268 5.073 ( 0.000 -21.086 0.000) 21.086 5.241 ( 0.000 3.885 0.000) 3.885 5.596 ( 0.000 -4.736 0.000) 4.736 5.960 ( 0.000 4.016 0.000) 4.016 6.034 ( 0.000 -1.816 0.000) 1.816 6.323 ( 0.000 -1.054 0.000) 1.054 6.533 ( 0.000 -4.078 0.000) 4.078 6.905 ( 0.000 4.557 0.000) 4.557 7.104 ( 0.000 7.758 0.000) 7.758 7.518 ( 0.000 -3.758 0.000) 3.758 7.557 ( 0.000 -6.092 0.000) 6.092 7.630 ( 0.000 16.754 0.000) 16.754 7.741 ( 0.000 -2.681 0.000) 2.681 8.011 ( 0.000 12.020 0.000) 12.020 8.063 ( 0.000 -5.031 0.000) 5.031 8.318 ( 0.000 -1.326 0.000) 1.326 8.352 ( 0.000 0.844 0.000) 0.844 8.495 ( 0.000 1.123 0.000) 1.123 9.409 ( 0.000 -15.631 0.000) 15.631 12.246 ( 0.000 2.947 0.000) 2.947 12.452 ( 0.000 -1.883 0.000) 1.883 12.879 ( 0.000 0.766 0.000) 0.766 13.147 ( 0.000 -0.535 0.000) 0.535 16.194 ( 0.000 0.302 0.000) 0.302 16.404 ( 0.000 0.197 0.000) 0.197 16.453 ( 0.000 -1.306 0.000) 1.306 16.644 ( 0.000 -0.631 0.000) 0.631 16.905 ( 0.000 2.671 0.000) 2.671 16.948 ( 0.000 -0.445 0.000) 0.445 26.779 ( 0.000 0.217 0.000) 0.217 26.835 ( 0.000 0.562 0.000) 0.562 28.997 ( 0.000 2.521 0.000) 2.521 29.451 ( 0.000 5.594 0.000) 5.594 29.730 ( 0.000 2.305 0.000) 2.305 29.878 ( 0.000 -3.637 0.000) 3.637 30.182 ( 0.000 -5.019 0.000) 5.019 31.820 ( 0.000 -0.470 0.000) 0.470======================= Grid point 15 (10/100) =======================q-point: ( 0.14 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 145Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( 9.597 17.744 0.000) 20.173 1.368 ( 15.537 22.590 0.000) 27.418 2.249 ( 14.359 12.171 0.000) 18.823 2.786 ( 17.330 4.226 0.000) 17.838 2.854 ( 3.671 4.314 0.000) 5.665 3.272 ( 5.698 4.348 0.000) 7.167 3.639 ( 2.798 -4.958 0.000) 5.693 3.968 ( 4.422 -4.392 0.000) 6.233 4.291 ( -6.057 5.893 0.000) 8.450 4.318 ( 2.346 -6.164 0.000) 6.595 4.762 ( 1.616 -8.677 0.000) 8.826 5.131 ( 6.184 -7.555 0.000) 9.763 5.378 ( 8.090 -8.741 0.000) 11.910 5.595 ( -3.656 -10.792 0.000) 11.395 5.837 ( -1.663 5.422 0.000) 5.671 6.201 ( 7.095 -0.767 0.000) 7.137 6.265 ( -4.246 -3.770 0.000) 5.678 6.436 ( -7.554 -2.863 0.000) 8.078 6.814 ( -8.422 7.835 0.000) 11.503 7.054 ( -4.691 9.377 0.000) 10.485 7.500 ( -0.948 -3.276 0.000) 3.410 7.533 ( -4.249 -1.741 0.000) 4.592 7.602 ( -3.134 8.728 0.000) 9.274 7.680 ( 0.022 1.699 0.000) 1.699 7.968 ( -4.194 -5.021 0.000) 6.542 8.115 ( 3.566 9.113 0.000) 9.786 8.317 ( 1.066 2.562 0.000) 2.775 8.490 ( 8.961 -2.671 0.000) 9.351 8.529 ( 2.705 0.292 0.000) 2.720 9.275 ( -10.963 -13.892 0.000) 17.697 12.225 ( -1.288 2.880 0.000) 3.155 12.428 ( -2.112 -1.707 0.000) 2.716 12.938 ( 4.447 0.582 0.000) 4.485 13.150 ( 0.213 0.063 0.000) 0.222 16.182 ( -0.765 -0.039 0.000) 0.766 16.339 ( -2.507 1.632 0.000) 2.991 16.487 ( 0.757 -2.362 0.000) 2.480 16.637 ( -0.740 -0.407 0.000) 0.845 16.912 ( 0.346 1.096 0.000) 1.149 16.974 ( 1.649 0.067 0.000) 1.651 26.779 ( 0.057 0.142 0.000) 0.153 26.830 ( -0.448 0.626 0.000) 0.770 29.053 ( 3.827 -2.015 0.000) 4.325 29.381 ( -5.083 0.405 0.000) 5.099 29.744 ( 1.501 1.935 0.000) 2.449 30.050 ( 12.046 1.364 0.000) 12.123 30.181 ( 1.508 -5.929 0.000) 6.118 31.685 ( -11.376 3.068 0.000) 11.783======================= Grid point 16 (11/100) =======================q-point: ( 0.29 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 145Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( 12.817 10.687 0.000) 16.688 1.786 ( 23.312 15.218 0.000) 27.840 2.556 ( -9.394 -5.616 0.000) 10.944 2.814 ( 20.720 2.157 0.000) 20.832 3.201 ( 6.501 -4.910 0.000) 8.147 3.286 ( -7.255 1.627 0.000) 7.435 3.698 ( 7.828 13.385 0.000) 15.506 4.117 ( 11.553 -6.193 0.000) 13.108 4.374 ( 16.582 11.081 0.000) 19.944 4.606 ( 17.434 -9.010 0.000) 19.624 4.779 ( 5.121 -5.239 0.000) 7.326 5.232 ( 1.174 3.514 0.000) 3.704 5.398 ( -12.845 -14.641 0.000) 19.477 5.428 ( -4.204 -6.933 0.000) 8.108 5.896 ( 2.665 -1.213 0.000) 2.928 6.093 ( -13.444 -4.338 0.000) 14.127 6.233 ( -1.558 1.425 0.000) 2.112 6.412 ( 4.841 0.978 0.000) 4.939 6.600 ( -9.539 7.772 0.000) 12.305 6.921 ( -7.227 8.842 0.000) 11.419 7.424 ( -2.168 -0.625 0.000) 2.256 7.524 ( 1.949 0.499 0.000) 2.012 7.593 ( 0.725 6.177 0.000) 6.219 7.654 ( -2.803 -1.415 0.000) 3.140 7.877 ( -3.997 -6.481 0.000) 7.614 8.130 ( -3.195 7.479 0.000) 8.132 8.379 ( 4.134 3.389 0.000) 5.346 8.530 ( -1.138 2.476 0.000) 2.725 8.684 ( 7.564 -5.122 0.000) 9.135 9.047 ( -8.964 -13.717 0.000) 16.386 12.216 ( 0.574 1.554 0.000) 1.657 12.372 ( -3.068 -1.427 0.000) 3.384 13.028 ( 3.833 1.620 0.000) 4.161 13.152 ( -0.202 1.424 0.000) 1.439 16.188 ( 1.614 -0.898 0.000) 1.847 16.313 ( -0.606 1.327 0.000) 1.459 16.490 ( 0.059 -2.143 0.000) 2.144 16.610 ( -1.920 -0.057 0.000) 1.921 16.920 ( 0.475 -0.152 0.000) 0.498 16.988 ( -0.421 0.212 0.000) 0.471 26.784 ( 0.360 0.092 0.000) 0.372 26.819 ( -0.564 0.626 0.000) 0.843 29.115 ( 1.989 -4.996 0.000) 5.377 29.277 ( -4.584 -3.407 0.000) 5.711 29.796 ( 3.455 0.663 0.000) 3.518 30.091 ( -3.377 -2.861 0.000) 4.426 30.440 ( 17.147 1.239 0.000) 17.191 31.408 ( -14.061 5.898 0.000) 15.248======================= Grid point 17 (12/100) =======================q-point: ( 0.43 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 145Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( 20.594 -1.060 0.000) 20.621 2.194 ( -20.854 -8.535 0.000) 22.533 2.306 ( 25.261 8.715 0.000) 26.722 2.816 ( -21.477 4.439 0.000) 21.931 3.215 ( 6.525 0.045 0.000) 6.525 3.316 ( -0.976 -6.727 0.000) 6.798 4.004 ( 22.902 19.282 0.000) 29.938 4.414 ( -3.642 4.078 0.000) 5.468 4.578 ( 12.650 -18.180 0.000) 22.148 4.903 ( 4.068 -15.317 0.000) 15.848 5.044 ( 4.798 5.864 0.000) 7.577 5.173 ( 4.830 -1.346 0.000) 5.014 5.252 ( 5.260 4.621 0.000) 7.001 5.321 ( -1.659 -3.016 0.000) 3.442 5.719 ( -17.321 6.201 0.000) 18.398 5.780 ( -14.394 -5.272 0.000) 15.329 6.290 ( 5.391 5.456 0.000) 7.671 6.396 ( -4.566 5.280 0.000) 6.980 6.601 ( 7.336 0.005 0.000) 7.336 6.767 ( -7.705 3.373 0.000) 8.411 7.443 ( 3.418 -1.490 0.000) 3.728 7.531 ( -3.485 4.796 0.000) 5.928 7.611 ( 0.895 1.812 0.000) 2.022 7.623 ( 1.062 1.724 0.000) 2.025 7.839 ( 2.051 -5.581 0.000) 5.946 7.981 ( -9.385 1.719 0.000) 9.541 8.457 ( 2.896 2.396 0.000) 3.759 8.499 ( -1.464 1.848 0.000) 2.357 8.815 ( 5.125 -7.241 0.000) 8.871 8.913 ( -4.719 -11.057 0.000) 12.022 12.247 ( 2.285 0.082 0.000) 2.286 12.305 ( -3.130 -0.887 0.000) 3.253 13.096 ( 2.595 2.546 0.000) 3.636 13.137 ( -1.305 2.487 0.000) 2.809 16.240 ( 2.878 -0.767 0.000) 2.978 16.291 ( -1.760 0.282 0.000) 1.782 16.507 ( 1.777 -1.258 0.000) 2.177 16.559 ( -2.782 -0.338 0.000) 2.802 16.936 ( 1.140 -0.528 0.000) 1.257 16.965 ( -1.472 -0.167 0.000) 1.482 26.794 ( 0.582 0.257 0.000) 0.636 26.807 ( -0.624 0.493 0.000) 0.795 29.149 ( 1.648 -5.137 0.000) 5.395 29.196 ( -3.016 -4.686 0.000) 5.573 29.886 ( 5.048 -0.996 0.000) 5.146 29.997 ( -5.225 -2.432 0.000) 5.763 30.790 ( 15.964 3.631 0.000) 16.372 31.109 ( -14.592 5.321 0.000) 15.532======================= Grid point 21 (13/100) =======================q-point: ( 0.00 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.311 ( 0.000 9.441 0.000) 9.441 1.736 ( 0.000 22.893 0.000) 22.893 1.903 ( 0.000 -21.564 0.000) 21.564 2.864 ( 0.000 17.776 0.000) 17.776 3.089 ( 0.000 -15.429 0.000) 15.429 3.247 ( 0.000 19.526 0.000) 19.526 3.514 ( 0.000 5.877 0.000) 5.877 3.593 ( 0.000 -14.577 0.000) 14.577 4.284 ( 0.000 -17.311 0.000) 17.311 4.346 ( 0.000 3.946 0.000) 3.946 4.572 ( 0.000 -24.287 0.000) 24.287 4.990 ( 0.000 27.458 0.000) 27.458 5.395 ( 0.000 10.192 0.000) 10.192 5.539 ( 0.000 -1.141 0.000) 1.141 6.027 ( 0.000 2.599 0.000) 2.599 6.034 ( 0.000 0.998 0.000) 0.998 6.290 ( 0.000 -1.711 0.000) 1.711 6.472 ( 0.000 -1.798 0.000) 1.798 6.947 ( 0.000 -1.217 0.000) 1.217 7.089 ( 0.000 -18.040 0.000) 18.040 7.280 ( 0.000 1.069 0.000) 1.069 7.544 ( 0.000 -2.360 0.000) 2.360 7.771 ( 0.000 3.874 0.000) 3.874 7.944 ( 0.000 11.626 0.000) 11.626 7.980 ( 0.000 -2.769 0.000) 2.769 8.190 ( 0.000 5.060 0.000) 5.060 8.296 ( 0.000 -0.581 0.000) 0.581 8.379 ( 0.000 1.468 0.000) 1.468 8.508 ( 0.000 0.001 0.000) 0.001 9.100 ( 0.000 -11.958 0.000) 11.958 12.308 ( 0.000 2.792 0.000) 2.792 12.410 ( 0.000 -2.079 0.000) 2.079 12.896 ( 0.000 0.747 0.000) 0.747 13.135 ( 0.000 -0.568 0.000) 0.568 16.201 ( 0.000 0.282 0.000) 0.282 16.407 ( 0.000 0.084 0.000) 0.084 16.427 ( 0.000 -0.978 0.000) 0.978 16.635 ( 0.000 -0.241 0.000) 0.241 16.940 ( 0.000 -0.302 0.000) 0.302 16.953 ( 0.000 1.660 0.000) 1.660 26.781 ( 0.000 -0.020 0.000) 0.020 26.849 ( 0.000 0.552 0.000) 0.552 29.049 ( 0.000 2.075 0.000) 2.075 29.556 ( 0.000 3.660 0.000) 3.660 29.801 ( 0.000 4.522 0.000) 4.522 29.806 ( 0.000 -2.847 0.000) 2.847 30.061 ( 0.000 -6.169 0.000) 6.169 31.810 ( 0.000 -0.346 0.000) 0.346======================= Grid point 22 (14/100) =======================q-point: ( 0.14 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( 10.096 9.232 0.000) 13.681 1.830 ( 9.813 19.238 0.000) 21.596 2.098 ( 18.963 -13.581 0.000) 23.324 2.912 ( -11.520 -0.995 0.000) 11.563 2.999 ( 9.655 10.949 0.000) 14.597 3.325 ( -0.620 -8.000 0.000) 8.024 3.567 ( 10.881 10.175 0.000) 14.897 3.797 ( 14.313 -9.229 0.000) 17.030 4.215 ( -3.201 -6.437 0.000) 7.189 4.358 ( 0.842 -6.310 0.000) 6.366 4.608 ( 4.006 -10.420 0.000) 11.164 5.080 ( 5.574 11.761 0.000) 13.015 5.414 ( 2.644 10.009 0.000) 10.352 5.508 ( -2.375 2.225 0.000) 3.254 5.954 ( -2.610 5.993 0.000) 6.537 6.174 ( -0.654 -4.732 0.000) 4.777 6.206 ( 2.109 0.497 0.000) 2.167 6.392 ( -5.603 -1.905 0.000) 5.918 6.948 ( -2.375 4.070 0.000) 4.712 7.110 ( 1.792 -15.089 0.000) 15.195 7.257 ( -2.081 -1.200 0.000) 2.402 7.500 ( -4.006 -2.222 0.000) 4.581 7.708 ( -4.682 4.788 0.000) 6.697 7.875 ( -6.397 -3.450 0.000) 7.268 7.922 ( -2.213 12.288 0.000) 12.485 8.259 ( 2.868 4.163 0.000) 5.055 8.366 ( -0.451 -1.742 0.000) 1.800 8.404 ( 9.015 -1.393 0.000) 9.122 8.539 ( 2.128 -0.032 0.000) 2.128 8.994 ( -9.284 -10.678 0.000) 14.149 12.288 ( -1.589 2.897 0.000) 3.304 12.389 ( -1.818 -1.924 0.000) 2.648 12.947 ( 4.302 0.323 0.000) 4.314 13.150 ( 1.289 -0.072 0.000) 1.291 16.183 ( -1.312 0.081 0.000) 1.314 16.370 ( -1.690 1.409 0.000) 2.201 16.441 ( 0.205 -2.006 0.000) 2.017 16.632 ( -0.472 -0.157 0.000) 0.498 16.926 ( -0.684 0.212 0.000) 0.716 16.983 ( 1.604 0.651 0.000) 1.731 26.780 ( -0.026 -0.045 0.000) 0.052 26.844 ( -0.405 0.580 0.000) 0.707 29.051 ( 0.134 0.936 0.000) 0.945 29.375 ( -9.846 -0.807 0.000) 9.879 29.805 ( 0.507 3.759 0.000) 3.793 30.046 ( -1.109 -6.205 0.000) 6.303 30.087 ( 18.439 1.478 0.000) 18.498 31.718 ( -8.303 0.662 0.000) 8.329======================= Grid point 23 (15/100) =======================q-point: ( 0.29 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.653 ( 8.897 12.733 0.000) 15.533 2.121 ( 16.935 15.062 0.000) 22.664 2.541 ( -0.808 3.466 0.000) 3.559 2.689 ( 10.802 -8.076 0.000) 13.487 3.124 ( 0.181 -4.472 0.000) 4.476 3.296 ( -4.082 0.428 0.000) 4.105 3.794 ( 10.817 -9.998 0.000) 14.730 4.052 ( 8.004 6.822 0.000) 10.516 4.263 ( 8.271 -19.962 0.000) 21.607 4.498 ( 9.197 -2.620 0.000) 9.562 4.722 ( 9.735 -2.522 0.000) 10.056 5.114 ( -1.843 -3.547 0.000) 3.997 5.455 ( -4.607 6.946 0.000) 8.335 5.501 ( 4.325 15.077 0.000) 15.685 5.920 ( 2.189 5.731 0.000) 6.134 6.041 ( -8.493 -1.016 0.000) 8.554 6.301 ( 4.761 3.848 0.000) 6.122 6.411 ( 6.436 -1.157 0.000) 6.540 6.804 ( -10.679 9.845 0.000) 14.524 7.081 ( -6.943 3.730 0.000) 7.881 7.244 ( 2.231 -16.694 0.000) 16.842 7.407 ( -3.663 -4.895 0.000) 6.114 7.615 ( -4.213 1.221 0.000) 4.386 7.747 ( -5.249 -2.101 0.000) 5.653 7.878 ( -1.191 10.758 0.000) 10.823 8.268 ( -3.710 3.763 0.000) 5.284 8.385 ( 2.404 -5.042 0.000) 5.586 8.540 ( -1.399 -0.258 0.000) 1.422 8.593 ( 6.186 -1.865 0.000) 6.461 8.790 ( -7.009 -8.618 0.000) 11.109 12.259 ( -0.825 2.264 0.000) 2.410 12.342 ( -2.478 -1.422 0.000) 2.857 13.048 ( 4.818 0.468 0.000) 4.841 13.177 ( 1.003 0.887 0.000) 1.338 16.175 ( 1.087 -0.370 0.000) 1.148 16.343 ( -1.353 1.476 0.000) 2.002 16.445 ( 0.649 -2.024 0.000) 2.125 16.608 ( -1.939 -0.084 0.000) 1.941 16.916 ( -0.126 -0.214 0.000) 0.249 16.996 ( -0.553 0.446 0.000) 0.711 26.783 ( 0.423 -0.057 0.000) 0.427 26.833 ( -0.681 0.532 0.000) 0.864 29.053 ( 0.145 -1.122 0.000) 1.131 29.207 ( -6.250 -2.933 0.000) 6.904 29.825 ( 1.555 2.176 0.000) 2.674 30.003 ( -2.690 -4.803 0.000) 5.505 30.490 ( 18.999 2.566 0.000) 19.171 31.491 ( -12.808 2.216 0.000) 12.998======================= Grid point 24 (16/100) =======================q-point: ( 0.43 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( 13.811 13.082 0.000) 19.024 2.220 ( -17.190 10.130 0.000) 19.952 2.512 ( 19.501 9.688 0.000) 21.775 2.893 ( -13.696 1.582 0.000) 13.787 3.130 ( 9.485 -7.743 0.000) 12.245 3.230 ( -1.291 -0.750 0.000) 1.493 4.010 ( 11.539 -23.038 0.000) 25.766 4.217 ( 0.161 -15.449 0.000) 15.450 4.370 ( 4.663 -6.632 0.000) 8.108 4.524 ( -4.942 -2.204 0.000) 5.411 5.048 ( 15.318 -1.546 0.000) 15.396 5.169 ( 9.174 -2.122 0.000) 9.416 5.308 ( -7.098 2.574 0.000) 7.551 5.472 ( -10.658 0.971 0.000) 10.702 5.904 ( 4.183 23.135 0.000) 23.510 6.033 ( -1.481 17.780 0.000) 17.841 6.424 ( 5.866 6.668 0.000) 8.880 6.530 ( -1.212 6.299 0.000) 6.415 6.620 ( 2.822 2.764 0.000) 3.950 6.856 ( -13.085 4.299 0.000) 13.773 7.295 ( 2.299 -14.937 0.000) 15.113 7.358 ( -2.756 -15.523 0.000) 15.765 7.578 ( 2.738 -1.083 0.000) 2.944 7.664 ( -3.641 -1.719 0.000) 4.026 7.898 ( 4.019 8.902 0.000) 9.767 8.077 ( -12.017 4.765 0.000) 12.927 8.439 ( 2.289 -4.215 0.000) 4.797 8.481 ( -2.148 -2.739 0.000) 3.481 8.695 ( 3.100 -3.091 0.000) 4.378 8.731 ( -0.889 -4.798 0.000) 4.880 12.260 ( 0.872 0.901 0.000) 1.254 12.292 ( -2.113 -0.452 0.000) 2.161 13.135 ( 3.259 1.208 0.000) 3.476 13.180 ( -0.943 1.452 0.000) 1.732 16.228 ( 3.481 -0.394 0.000) 3.504 16.299 ( -2.936 0.382 0.000) 2.960 16.480 ( 2.706 -1.148 0.000) 2.940 16.549 ( -3.473 -0.478 0.000) 3.506 16.929 ( 1.367 -0.200 0.000) 1.381 16.966 ( -1.944 0.207 0.000) 1.955 26.797 ( 0.848 0.085 0.000) 0.852 26.816 ( -0.887 0.337 0.000) 0.949 29.064 ( 1.113 -2.625 0.000) 2.851 29.108 ( -3.277 -3.293 0.000) 4.646 29.872 ( 2.829 -0.195 0.000) 2.836 29.938 ( -3.352 -2.741 0.000) 4.330 30.867 ( 16.894 3.023 0.000) 17.163 31.199 ( -14.892 2.963 0.000) 15.184======================= Grid point 28 (17/100) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 0.000) 0.000 2.037 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 3.051 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 4.111 ( 0.000 -0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.529 ( 0.000 0.000 0.000) 0.000 5.529 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.087 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 6.453 ( 0.000 0.000 0.000) 0.000 6.774 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 7.315 ( 0.000 0.000 0.000) 0.000 7.509 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 0.000 0.000) 0.000 7.948 ( 0.000 0.000 0.000) 0.000 8.077 ( 0.000 0.000 0.000) 0.000 8.239 ( 0.000 0.000 0.000) 0.000 8.293 ( 0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000 8.503 ( 0.000 0.000 0.000) 0.000 8.962 ( 0.000 0.000 0.000) 0.000 12.360 ( 0.000 0.000 0.000) 0.000 12.366 ( 0.000 -0.000 0.000) 0.000 12.905 ( 0.000 0.000 0.000) 0.000 13.128 ( 0.000 0.000 0.000) 0.000 16.204 ( 0.000 0.000 0.000) 0.000 16.408 ( 0.000 0.000 0.000) 0.000 16.416 ( 0.000 0.000 0.000) 0.000 16.633 ( 0.000 0.000 0.000) 0.000 16.936 ( 0.000 0.000 0.000) 0.000 16.971 ( 0.000 0.000 0.000) 0.000 26.780 ( 0.000 0.000 0.000) 0.000 26.855 ( 0.000 0.000 0.000) 0.000 29.073 ( 0.000 0.000 0.000) 0.000 29.595 ( 0.000 0.000 0.000) 0.000 29.773 ( 0.000 0.000 0.000) 0.000 29.898 ( 0.000 0.000 0.000) 0.000 29.948 ( 0.000 0.000 0.000) 0.000 31.806 ( 0.000 0.000 0.000) 0.000======================= Grid point 30 (18/100) =======================q-point: ( 0.14 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.564 ( 11.065 0.000 0.000) 11.065 1.900 ( 23.897 0.000 0.000) 23.897 2.111 ( 7.064 0.000 0.000) 7.064 2.860 ( -0.395 0.000 0.000) 0.395 3.124 ( 6.327 0.000 0.000) 6.327 3.224 ( -12.799 0.000 0.000) 12.799 3.666 ( 11.460 0.000 0.000) 11.460 3.792 ( 7.257 0.000 0.000) 7.257 4.105 ( 4.936 -0.000 0.000) 4.936 4.160 ( -1.311 0.000 0.000) 1.311 4.525 ( 8.671 0.000 0.000) 8.671 5.224 ( -7.980 0.000 0.000) 7.980 5.553 ( 3.421 0.000 0.000) 3.421 5.632 ( 4.765 0.000 0.000) 4.765 6.086 ( -4.267 0.000 0.000) 4.267 6.096 ( 1.716 -0.000 0.000) 1.716 6.214 ( 2.807 0.000 0.000) 2.807 6.340 ( -6.348 0.000 0.000) 6.348 6.833 ( 3.574 0.000 0.000) 3.574 6.986 ( 2.864 0.000 0.000) 2.864 7.283 ( -3.164 0.000 0.000) 3.164 7.466 ( -4.339 0.000 0.000) 4.339 7.787 ( -3.114 0.000 0.000) 3.114 7.817 ( -9.230 0.000 0.000) 9.230 8.105 ( 2.276 -0.000 0.000) 2.276 8.261 ( -5.313 0.000 0.000) 5.313 8.305 ( 2.426 0.000 0.000) 2.426 8.428 ( 6.158 0.000 0.000) 6.158 8.533 ( 2.450 -0.000 0.000) 2.450 8.876 ( -7.830 0.000 0.000) 7.830 12.342 ( -2.026 0.000 0.000) 2.026 12.346 ( -1.235 -0.000 0.000) 1.235 12.951 ( 4.034 0.000 0.000) 4.034 13.149 ( 1.776 0.000 0.000) 1.776 16.184 ( -1.500 0.000 0.000) 1.500 16.401 ( -0.116 0.000 0.000) 0.116 16.403 ( -1.211 -0.000 0.000) 1.211 16.630 ( -0.398 0.000 0.000) 0.398 16.927 ( -0.771 0.000 0.000) 0.771 16.992 ( 1.310 0.000 0.000) 1.310 26.779 ( -0.043 0.000 0.000) 0.043 26.851 ( -0.397 0.000 0.000) 0.397 29.065 ( -0.721 0.000 0.000) 0.721 29.363 ( -11.605 0.000 0.000) 11.605 29.880 ( -0.270 0.000 0.000) 0.270 29.943 ( -0.494 -0.000 0.000) 0.494 30.106 ( 19.510 0.000 0.000) 19.510 31.724 ( -7.513 0.000 0.000) 7.513======================= Grid point 32 (19/100) =======================q-point: ( 0.29 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( 12.727 0.000 0.000) 12.727 2.327 ( 13.264 0.000 0.000) 13.264 2.466 ( 26.984 0.000 0.000) 26.984 2.740 ( -13.150 0.000 0.000) 13.150 3.049 ( -1.804 0.000 0.000) 1.804 3.252 ( 3.756 0.000 0.000) 3.756 3.711 ( -7.874 0.000 0.000) 7.874 3.940 ( 9.968 -0.000 0.000) 9.968 4.156 ( 3.779 -0.000 0.000) 3.779 4.431 ( 15.621 0.000 0.000) 15.621 4.698 ( 10.127 0.000 0.000) 10.127 5.087 ( -3.795 0.000 0.000) 3.795 5.569 ( -9.992 -0.000 0.000) 9.992 5.659 ( 1.472 0.000 0.000) 1.472 6.025 ( -1.299 0.000 0.000) 1.299 6.123 ( 9.768 0.000 0.000) 9.768 6.360 ( 8.812 0.000 0.000) 8.812 6.369 ( 7.005 -0.000 0.000) 7.005 6.889 ( 1.804 -0.000 0.000) 1.804 6.964 ( -5.593 0.000 0.000) 5.593 7.185 ( -6.038 0.000 0.000) 6.038 7.308 ( -11.443 0.000 0.000) 11.443 7.632 ( -7.051 0.000 0.000) 7.051 7.717 ( -3.277 0.000 0.000) 3.277 8.120 ( -6.075 0.000 0.000) 6.075 8.144 ( 0.551 -0.000 0.000) 0.551 8.349 ( 1.932 0.000 0.000) 1.932 8.551 ( -3.712 -0.000 0.000) 3.712 8.576 ( 6.270 0.000 0.000) 6.270 8.701 ( -4.819 -0.000 0.000) 4.819 12.298 ( -1.819 0.000 0.000) 1.819 12.314 ( -1.663 -0.000 0.000) 1.663 13.053 ( 5.142 0.000 0.000) 5.142 13.187 ( 1.460 0.000 0.000) 1.460 16.171 ( 0.872 0.000 0.000) 0.872 16.366 ( -2.353 0.000 0.000) 2.353 16.416 ( 1.586 0.000 0.000) 1.586 16.607 ( -2.026 0.000 0.000) 2.026 16.913 ( -0.266 0.000 0.000) 0.266 17.002 ( -0.618 0.000 0.000) 0.618 26.783 ( 0.448 0.000 0.000) 0.448 26.839 ( -0.753 0.000 0.000) 0.753 29.047 ( -0.890 0.000 0.000) 0.890 29.171 ( -6.815 0.000 0.000) 6.815 29.872 ( -0.213 0.000 0.000) 0.213 29.926 ( -1.089 -0.000 0.000) 1.089 30.521 ( 19.326 0.000 0.000) 19.326 31.513 ( -12.153 0.000 0.000) 12.153======================= Grid point 34 (20/100) =======================q-point: ( 0.43 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.097 ( 13.881 0.000 0.000) 13.881 2.412 ( -16.017 0.000 0.000) 16.017 2.639 ( 15.601 0.000 0.000) 15.601 2.888 ( 1.687 0.000 0.000) 1.687 3.015 ( 5.474 0.000 0.000) 5.474 3.223 ( -6.726 -0.000 0.000) 6.726 3.692 ( 7.959 0.000 0.000) 7.959 3.916 ( -9.111 0.000 0.000) 9.111 4.362 ( 10.338 0.000 0.000) 10.338 4.512 ( -3.738 0.000 0.000) 3.738 5.033 ( 16.479 0.000 0.000) 16.479 5.138 ( 9.067 0.000 0.000) 9.067 5.341 ( -10.389 0.000 0.000) 10.389 5.462 ( -15.323 0.000 0.000) 15.323 6.204 ( 11.722 0.000 0.000) 11.722 6.315 ( 3.440 -0.000 0.000) 3.440 6.553 ( 10.045 0.000 0.000) 10.045 6.594 ( 15.012 -0.000 0.000) 15.012 6.776 ( -10.691 -0.000 0.000) 10.691 6.905 ( -3.411 0.000 0.000) 3.411 7.006 ( -12.382 0.000 0.000) 12.382 7.042 ( -6.801 0.000 0.000) 6.801 7.569 ( 1.192 0.000 0.000) 1.192 7.642 ( -4.196 0.000 0.000) 4.196 8.047 ( -0.546 0.000 0.000) 0.546 8.097 ( -4.300 -0.000 0.000) 4.300 8.384 ( 1.501 0.000 0.000) 1.501 8.430 ( -3.908 -0.000 0.000) 3.908 8.669 ( 2.585 0.000 0.000) 2.585 8.689 ( 0.386 -0.000 0.000) 0.386 12.275 ( -0.295 0.000 0.000) 0.295 12.284 ( -1.075 -0.000 0.000) 1.075 13.148 ( 3.600 0.000 0.000) 3.600 13.195 ( -0.859 0.000 0.000) 0.859 16.223 ( 3.704 0.000 0.000) 3.704 16.304 ( -3.565 0.000 0.000) 3.565 16.466 ( 3.176 0.000 0.000) 3.176 16.543 ( -3.804 0.000 0.000) 3.804 16.927 ( 1.570 0.000 0.000) 1.570 16.969 ( -2.150 0.000 0.000) 2.150 26.798 ( 0.967 0.000 0.000) 0.967 26.820 ( -1.026 0.000 0.000) 1.026 29.038 ( 0.318 0.000 0.000) 0.318 29.070 ( -2.977 0.000 0.000) 2.977 29.877 ( 0.722 0.000 0.000) 0.722 29.900 ( -1.318 -0.000 0.000) 1.318 30.901 ( 16.911 0.000 0.000) 16.911 31.231 ( -14.618 0.000 0.000) 14.618======================= Grid point 63 (21/100) =======================q-point: ( 0.00 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.564 ( 0.000 0.000 27.093) 27.093 0.667 ( 0.000 0.000 32.277) 32.277 1.264 ( 0.000 0.000 60.757) 60.757 2.174 ( 0.000 0.000 -17.083) 17.083 2.621 ( 0.000 0.000 -7.446) 7.446 2.877 ( 0.000 0.000 7.959) 7.959 3.756 ( 0.000 0.000 -7.398) 7.398 3.905 ( 0.000 0.000 -37.458) 37.458 4.387 ( 0.000 0.000 -4.581) 4.581 4.525 ( 0.000 0.000 -6.390) 6.390 4.799 ( 0.000 0.000 -18.023) 18.023 5.552 ( 0.000 0.000 21.780) 21.780 5.601 ( 0.000 0.000 -12.953) 12.953 5.724 ( 0.000 0.000 -15.596) 15.596 5.781 ( 0.000 0.000 8.095) 8.095 6.007 ( 0.000 0.000 -11.749) 11.749 6.326 ( 0.000 0.000 1.600) 1.600 6.803 ( 0.000 0.000 0.198) 0.198 6.874 ( 0.000 0.000 15.215) 15.215 6.992 ( 0.000 0.000 -4.479) 4.479 7.262 ( 0.000 0.000 2.447) 2.447 7.475 ( 0.000 0.000 6.115) 6.115 7.561 ( 0.000 0.000 -1.367) 1.367 7.751 ( 0.000 0.000 12.749) 12.749 8.140 ( 0.000 0.000 -1.337) 1.337 8.208 ( 0.000 0.000 -1.957) 1.957 8.388 ( 0.000 0.000 -3.864) 3.864 8.457 ( 0.000 0.000 8.696) 8.696 8.501 ( 0.000 0.000 4.439) 4.439 9.334 ( 0.000 0.000 -3.747) 3.747 12.183 ( 0.000 0.000 1.539) 1.539 12.485 ( 0.000 0.000 -0.455) 0.455 12.879 ( 0.000 0.000 1.599) 1.599 13.153 ( 0.000 0.000 -0.460) 0.460 16.244 ( 0.000 0.000 0.185) 0.185 16.413 ( 0.000 0.000 1.553) 1.553 16.434 ( 0.000 0.000 -0.908) 0.908 16.608 ( 0.000 0.000 0.653) 0.653 16.898 ( 0.000 0.000 -0.259) 0.259 16.943 ( 0.000 0.000 -1.715) 1.715 26.785 ( 0.000 0.000 0.360) 0.360 26.828 ( 0.000 0.000 0.197) 0.197 28.959 ( 0.000 0.000 2.392) 2.392 29.322 ( 0.000 0.000 0.988) 0.988 29.774 ( 0.000 0.000 -1.482) 1.482 29.931 ( 0.000 0.000 -3.887) 3.887 30.420 ( 0.000 0.000 6.408) 6.408 31.766 ( 0.000 0.000 -2.351) 2.351======================= Grid point 64 (22/100) =======================q-point: ( 0.14 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.721 ( 1.722 0.000 33.716) 33.760 0.830 ( 22.968 0.000 19.331) 30.020 1.712 ( 43.792 0.000 37.194) 57.455 2.424 ( 20.479 0.000 -17.046) 26.645 2.633 ( 2.937 0.000 -9.345) 9.795 3.119 ( 19.454 0.000 2.277) 19.586 3.807 ( -1.862 0.000 -3.789) 4.222 3.888 ( -0.714 0.000 -30.153) 30.161 4.134 ( -16.117 0.000 -12.169) 20.195 4.472 ( 0.992 0.000 -8.352) 8.410 4.945 ( 6.293 0.000 -6.200) 8.834 5.488 ( -3.972 0.000 15.448) 15.950 5.490 ( -7.315 0.000 -16.592) 18.133 5.804 ( 1.238 0.000 9.297) 9.379 5.869 ( -3.812 0.000 -12.342) 12.917 5.978 ( 8.156 0.000 -15.889) 17.860 6.410 ( 5.008 0.000 -5.019) 7.090 6.658 ( -10.075 0.000 4.179) 10.908 6.928 ( -8.370 0.000 -0.067) 8.370 6.934 ( 1.862 0.000 7.653) 7.876 7.240 ( -0.835 0.000 5.222) 5.288 7.451 ( -1.999 0.000 10.858) 11.040 7.598 ( 2.658 0.000 -2.106) 3.391 7.852 ( 2.693 0.000 11.307) 11.624 8.049 ( -12.641 0.000 19.522) 23.257 8.133 ( -0.819 0.000 -1.169) 1.428 8.242 ( -2.082 0.000 2.102) 2.959 8.322 ( -3.219 0.000 -2.081) 3.833 8.624 ( 8.489 0.000 2.312) 8.798 9.370 ( -1.057 0.000 -9.796) 9.853 12.192 ( 1.081 0.000 1.241) 1.646 12.465 ( -1.839 0.000 -0.414) 1.885 12.901 ( 2.011 0.000 1.970) 2.815 13.177 ( 0.426 0.000 1.307) 1.375 16.201 ( -4.185 0.000 0.772) 4.256 16.250 ( 0.465 0.000 -0.124) 0.481 16.592 ( -1.373 0.000 0.532) 1.473 16.619 ( 2.599 0.000 -2.093) 3.337 16.908 ( 1.144 0.000 -0.929) 1.474 16.950 ( 0.558 0.000 -1.464) 1.567 26.774 ( -0.304 0.000 0.505) 0.589 26.823 ( -0.444 0.000 0.211) 0.492 29.268 ( 7.275 0.000 -5.462) 9.097 29.378 ( 12.189 0.000 -8.275) 14.733 29.629 ( -8.548 0.000 -1.214) 8.634 30.074 ( 7.278 0.000 -5.155) 8.919 30.422 ( 1.218 0.000 7.260) 7.361 31.473 ( -16.623 0.000 12.341) 20.703======================= Grid point 65 (23/100) =======================q-point: ( 0.29 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 30.557 0.000 -6.556) 31.252 1.423 ( 31.788 0.000 11.588) 33.834 2.647 ( 38.244 0.000 26.821) 46.711 2.774 ( 13.920 0.000 -10.008) 17.144 2.775 ( 3.925 0.000 -18.699) 19.106 3.383 ( 1.078 0.000 -18.905) 18.935 3.511 ( -22.549 0.000 2.449) 22.682 3.891 ( 2.746 0.000 -6.846) 7.376 4.107 ( 19.365 0.000 -15.161) 24.594 4.697 ( 14.602 0.000 -14.114) 20.308 4.931 ( -6.671 0.000 9.329) 11.469 5.346 ( -5.428 0.000 -13.271) 14.338 5.418 ( -2.963 0.000 12.744) 13.084 5.629 ( -13.495 0.000 -18.218) 22.671 5.866 ( 5.903 0.000 0.414) 5.918 6.186 ( 3.934 0.000 -7.340) 8.328 6.407 ( -6.780 0.000 -4.832) 8.326 6.410 ( -13.389 0.000 0.574) 13.402 6.733 ( -5.368 0.000 9.874) 11.238 6.935 ( -1.468 0.000 6.169) 6.341 7.243 ( 0.524 0.000 8.020) 8.037 7.366 ( -5.625 0.000 13.079) 14.237 7.653 ( 2.578 0.000 -2.285) 3.445 7.717 ( -4.759 0.000 16.630) 17.297 8.079 ( 3.316 0.000 2.938) 4.430 8.099 ( -2.348 0.000 -1.260) 2.664 8.234 ( 1.022 0.000 -1.016) 1.442 8.287 ( -0.151 0.000 -1.324) 1.333 8.812 ( 9.148 0.000 0.975) 9.200 9.292 ( -5.491 0.000 -7.543) 9.330 12.228 ( 2.234 0.000 0.672) 2.333 12.413 ( -2.951 0.000 -0.270) 2.963 12.958 ( 3.314 0.000 2.853) 4.373 13.159 ( -1.873 0.000 3.699) 4.147 16.183 ( 1.193 0.000 -3.288) 3.498 16.259 ( 0.271 0.000 -1.087) 1.120 16.561 ( -1.283 0.000 0.501) 1.377 16.613 ( -1.763 0.000 0.287) 1.786 16.936 ( 1.290 0.000 -0.932) 1.591 16.961 ( 0.423 0.000 -1.011) 1.096 26.775 ( 0.298 0.000 0.203) 0.361 26.811 ( -0.661 0.000 0.233) 0.701 29.294 ( 0.066 0.000 0.355) 0.361 29.468 ( -6.576 0.000 -0.614) 6.604 29.647 ( 10.370 0.000 -9.529) 14.083 30.118 ( -3.087 0.000 -4.658) 5.587 30.537 ( 9.654 0.000 5.851) 11.288 31.201 ( -10.469 0.000 9.222) 13.952======================= Grid point 66 (24/100) =======================q-point: ( 0.43 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( 32.409 0.000 -17.475) 36.820 2.094 ( 28.445 0.000 4.076) 28.736 2.494 ( -21.495 0.000 -15.453) 26.473 2.788 ( -21.538 0.000 2.210) 21.651 3.059 ( 5.156 0.000 -11.344) 12.461 3.275 ( -9.983 0.000 -20.031) 22.381 3.598 ( 35.753 0.000 22.438) 42.211 4.156 ( 1.737 0.000 -0.258) 1.756 4.325 ( 5.214 0.000 -4.095) 6.629 4.728 ( -14.773 0.000 -19.082) 24.133 4.953 ( 14.220 0.000 -1.660) 14.317 5.216 ( -10.190 0.000 -14.473) 17.701 5.456 ( 9.997 0.000 10.030) 14.162 5.574 ( 10.871 0.000 -3.155) 11.320 5.935 ( -19.703 0.000 3.351) 19.986 5.958 ( -5.813 0.000 -3.254) 6.661 6.170 ( -1.702 0.000 -2.210) 2.789 6.292 ( -6.328 0.000 -5.088) 8.120 6.757 ( 5.477 0.000 10.557) 11.893 6.874 ( -4.512 0.000 7.322) 8.600 7.250 ( 0.395 0.000 8.598) 8.607 7.276 ( -2.473 0.000 10.249) 10.543 7.690 ( 0.744 0.000 5.002) 5.057 7.696 ( 0.977 0.000 -0.453) 1.077 8.059 ( -0.663 0.000 -0.774) 1.020 8.079 ( -1.834 0.000 0.315) 1.861 8.276 ( 1.911 0.000 -0.441) 1.961 8.294 ( 0.140 0.000 -0.700) 0.714 8.997 ( 8.322 0.000 -1.182) 8.405 9.159 ( -7.109 0.000 -4.179) 8.246 12.283 ( 2.914 0.000 0.271) 2.926 12.348 ( -3.221 0.000 -0.033) 3.221 13.033 ( 3.655 0.000 3.768) 5.249 13.105 ( -3.121 0.000 4.224) 5.252 16.220 ( 1.974 0.000 -3.644) 4.145 16.253 ( -0.960 0.000 -2.539) 2.715 16.549 ( 0.291 0.000 0.779) 0.831 16.573 ( -1.767 0.000 0.853) 1.962 16.957 ( 0.683 0.000 -0.682) 0.965 16.965 ( -0.090 0.000 -0.711) 0.717 26.784 ( 0.535 0.000 0.189) 0.567 26.797 ( -0.655 0.000 0.230) 0.694 29.306 ( 1.361 0.000 0.328) 1.400 29.359 ( -3.851 0.000 -0.073) 3.852 29.837 ( 8.291 0.000 -5.514) 9.957 30.001 ( -7.175 0.000 -3.999) 8.214 30.766 ( 11.257 0.000 4.447) 12.104 30.991 ( -10.140 0.000 5.549) 11.559======================= Grid point 70 (25/100) =======================q-point: ( 0.00 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.862 ( 0.000 15.468 24.569) 29.033 0.914 ( 0.000 5.894 37.687) 38.145 1.595 ( 0.000 43.012 30.541) 52.752 2.293 ( 0.000 10.407 -16.639) 19.625 2.793 ( 0.000 -7.919 7.825) 11.133 2.847 ( 0.000 17.873 -10.031) 20.495 3.654 ( 0.000 -8.564 -6.362) 10.669 3.855 ( 0.000 -3.696 -31.291) 31.509 4.211 ( 0.000 -10.394 -13.085) 16.711 4.581 ( 0.000 0.449 5.092) 5.112 4.708 ( 0.000 -8.560 -18.847) 20.700 5.459 ( 0.000 -14.415 -5.217) 15.330 5.490 ( 0.000 -2.673 12.006) 12.300 5.696 ( 0.000 -3.585 -1.560) 3.910 5.766 ( 0.000 2.370 -7.919) 8.266 5.985 ( 0.000 -4.546 -8.704) 9.820 6.314 ( 0.000 0.146 0.467) 0.489 6.684 ( 0.000 -8.133 1.020) 8.196 6.842 ( 0.000 -4.606 2.461) 5.223 6.951 ( 0.000 4.873 8.490) 9.789 7.376 ( 0.000 12.360 5.702) 13.611 7.616 ( 0.000 5.026 7.742) 9.231 7.718 ( 0.000 16.026 2.293) 16.189 7.747 ( 0.000 -2.450 1.907) 3.105 7.903 ( 0.000 -10.984 6.130) 12.579 8.207 ( 0.000 -3.081 0.544) 3.128 8.352 ( 0.000 -0.703 0.936) 1.171 8.437 ( 0.000 -1.389 8.038) 8.157 8.518 ( 0.000 1.140 5.029) 5.157 9.460 ( 0.000 -1.271 -15.303) 15.356 12.202 ( 0.000 2.056 1.443) 2.512 12.510 ( 0.000 0.494 0.871) 1.001 12.883 ( 0.000 0.354 1.556) 1.596 13.151 ( 0.000 -0.209 -0.424) 0.473 16.177 ( 0.000 -2.248 -0.301) 2.268 16.415 ( 0.000 0.187 1.539) 1.550 16.444 ( 0.000 -0.212 -2.042) 2.053 16.648 ( 0.000 1.634 -0.252) 1.653 16.875 ( 0.000 -0.357 1.065) 1.123 16.939 ( 0.000 -0.348 -1.732) 1.767 26.779 ( 0.000 -0.092 0.482) 0.491 26.829 ( 0.000 0.164 0.176) 0.241 28.975 ( 0.000 1.479 2.279) 2.716 29.332 ( 0.000 2.319 0.423) 2.357 29.821 ( 0.000 2.627 4.829) 5.497 29.907 ( 0.000 -2.236 -3.720) 4.340 30.370 ( 0.000 -3.662 8.578) 9.327 31.733 ( 0.000 -1.533 -5.998) 6.191======================= Grid point 71 (26/100) =======================q-point: ( 0.14 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.850 ( 6.367 15.122 21.692) 27.199 1.090 ( 14.991 15.294 20.813) 29.864 2.021 ( 35.208 26.010 27.532) 51.712 2.441 ( 8.442 6.195 -15.927) 19.061 2.882 ( 8.785 12.926 -9.691) 18.389 3.066 ( 20.863 -2.387 1.631) 21.062 3.640 ( -7.468 -10.387 -6.911) 14.541 3.854 ( 0.699 -2.835 -27.880) 28.032 4.094 ( -5.235 -3.793 -8.508) 10.685 4.468 ( -3.648 -1.535 -1.844) 4.366 4.810 ( 4.873 -9.780 -12.702) 16.755 5.422 ( -3.967 -3.377 5.377) 7.487 5.536 ( 3.204 -6.079 -5.799) 8.992 5.690 ( -1.583 0.676 -0.497) 1.791 5.891 ( 7.037 -6.585 -2.661) 9.998 6.018 ( 2.301 4.268 -11.327) 12.322 6.307 ( 0.179 -6.903 -3.609) 7.792 6.618 ( -6.151 -7.879 1.686) 10.137 6.771 ( -9.078 -2.070 7.699) 12.082 6.903 ( -0.710 -1.204 5.340) 5.520 7.395 ( -0.488 10.983 3.435) 11.518 7.521 ( -6.627 5.817 2.923) 9.290 7.637 ( -0.227 3.865 11.825) 12.442 7.823 ( -4.478 -7.455 6.432) 10.816 7.946 ( 6.695 5.125 1.828) 8.628 8.132 ( -4.335 -4.224 2.850) 6.690 8.281 ( -1.533 1.964 0.895) 2.647 8.476 ( -1.987 7.021 3.619) 8.145 8.609 ( 8.701 -1.378 3.343) 9.422 9.360 ( -7.042 -3.943 -10.842) 13.517 12.197 ( 0.134 1.180 1.715) 2.086 12.476 ( -2.586 0.184 0.997) 2.777 12.921 ( 2.700 1.346 0.895) 3.147 13.167 ( 0.770 -0.661 1.080) 1.482 16.169 ( -0.394 -1.155 -0.841) 1.482 16.289 ( -3.215 2.087 -0.273) 3.843 16.538 ( 1.387 -2.832 -0.216) 3.160 16.648 ( -0.444 0.878 0.005) 0.984 16.884 ( 0.818 -0.708 -0.924) 1.423 16.964 ( 1.612 0.417 -1.142) 2.019 26.776 ( -0.101 0.173 0.270) 0.336 26.825 ( -0.380 0.198 0.281) 0.512 29.155 ( 9.703 -7.147 -2.128) 12.238 29.345 ( 1.494 0.858 -0.692) 1.857 29.719 ( -3.594 3.980 -1.000) 5.455 30.067 ( 8.917 -0.035 -0.616) 8.938 30.371 ( 0.895 -4.135 7.963) 9.018 31.540 ( -14.066 3.892 -0.014) 14.595======================= Grid point 72 (27/100) =======================q-point: ( 0.29 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.193 ( 24.075 8.971 -1.713) 25.749 1.551 ( 27.606 8.884 11.739) 31.286 2.548 ( 2.301 -5.575 -15.127) 16.285 2.830 ( 33.975 10.501 20.357) 40.976 3.038 ( -0.565 7.389 -10.249) 12.648 3.336 ( -5.812 -9.516 -11.722) 16.178 3.429 ( -3.933 8.636 -6.323) 11.403 4.008 ( 13.917 3.825 0.704) 14.451 4.051 ( 13.043 -1.203 -16.476) 21.048 4.636 ( 11.369 -5.367 -13.583) 18.508 4.852 ( 1.927 -4.995 -4.459) 6.967 5.306 ( -8.376 -3.438 1.728) 9.217 5.497 ( -2.700 3.367 6.661) 7.937 5.673 ( -6.326 2.776 -13.059) 14.774 5.878 ( -0.565 1.106 -2.599) 2.881 6.123 ( 1.534 -7.356 -2.634) 7.962 6.282 ( -4.241 -8.102 -2.578) 9.502 6.433 ( -9.636 -0.847 0.123) 9.674 6.594 ( -4.913 -4.382 9.375) 11.456 6.873 ( -2.753 -5.321 4.622) 7.567 7.359 ( -0.933 6.572 1.635) 6.836 7.441 ( -2.185 6.763 6.929) 9.926 7.642 ( 0.516 0.715 5.149) 5.224 7.708 ( -4.326 -1.326 8.994) 10.068 8.019 ( -1.477 -0.931 0.926) 1.976 8.077 ( -0.861 -2.112 1.437) 2.696 8.299 ( 2.690 4.383 0.166) 5.145 8.429 ( -1.745 8.101 0.619) 8.310 8.790 ( 8.262 -2.133 1.703) 8.701 9.219 ( -6.233 -7.085 -6.368) 11.384 12.217 ( 1.739 -0.245 1.215) 2.135 12.414 ( -3.240 -0.277 0.896) 3.373 12.979 ( 2.751 1.708 1.065) 3.409 13.168 ( -0.572 0.677 3.309) 3.426 16.179 ( 1.420 -0.302 -2.543) 2.928 16.264 ( -0.207 0.589 -1.558) 1.678 16.537 ( -0.575 -1.811 0.356) 1.933 16.621 ( -1.875 0.441 0.837) 2.100 16.901 ( 0.697 -1.553 -1.906) 2.555 16.989 ( 0.715 1.045 -0.101) 1.270 26.777 ( 0.206 0.175 -0.016) 0.271 26.815 ( -0.488 0.373 0.417) 0.742 29.246 ( 0.980 -4.955 0.308) 5.060 29.358 ( -1.572 -4.958 -0.462) 5.221 29.736 ( 4.722 4.738 -4.020) 7.804 30.148 ( -2.045 2.324 -0.231) 3.104 30.490 ( 10.784 -3.794 4.454) 12.269 31.259 ( -12.325 4.338 2.339) 13.274======================= Grid point 73 (28/100) =======================q-point: ( 0.43 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.762 ( 28.381 -1.998 -10.231) 30.234 2.154 ( 23.519 3.740 2.387) 23.934 2.370 ( -15.260 -9.535 -9.581) 20.386 2.773 ( -21.068 -6.001 0.343) 21.909 3.060 ( 0.123 7.080 -10.982) 13.067 3.231 ( -7.357 -2.903 -18.563) 20.177 3.773 ( 33.725 14.432 18.683) 41.167 4.315 ( -7.798 5.742 5.833) 11.305 4.400 ( 19.602 10.960 -17.361) 28.386 4.745 ( 4.739 -6.078 -12.202) 14.432 4.825 ( -3.198 -1.408 -11.863) 12.367 5.186 ( -10.400 -2.673 -5.830) 12.219 5.485 ( 6.273 0.097 0.746) 6.318 5.591 ( 6.908 2.285 6.087) 9.486 5.819 ( -9.307 -8.919 3.397) 13.331 6.016 ( -16.640 -3.112 2.799) 17.159 6.094 ( 0.922 0.150 -2.485) 2.655 6.340 ( -2.457 2.522 -1.439) 3.804 6.619 ( 5.299 -7.974 4.465) 10.564 6.792 ( -4.582 -5.316 3.695) 7.931 7.336 ( -1.172 4.978 2.388) 5.644 7.434 ( 0.714 11.391 8.153) 14.026 7.644 ( 0.438 -2.183 3.797) 4.402 7.673 ( -0.486 -1.661 2.898) 3.375 7.971 ( -1.392 -5.234 0.561) 5.445 8.039 ( -2.234 -2.076 1.365) 3.341 8.354 ( 1.785 5.590 -1.474) 6.051 8.411 ( -0.226 6.372 0.352) 6.386 8.950 ( 6.911 -4.271 -0.361) 8.132 9.093 ( -5.936 -6.060 -2.597) 8.872 12.263 ( 2.283 -1.062 0.427) 2.553 12.347 ( -2.800 -0.356 1.236) 3.081 13.028 ( 1.545 0.501 1.119) 1.973 13.151 ( -0.788 2.856 4.658) 5.520 16.219 ( 2.064 -0.115 -3.096) 3.723 16.254 ( -1.058 0.150 -2.559) 2.773 16.534 ( 0.349 -1.019 0.318) 1.123 16.581 ( -1.593 0.355 1.525) 2.233 16.911 ( 0.222 -2.112 -2.224) 3.075 16.997 ( 0.144 0.964 0.754) 1.232 26.782 ( 0.194 -0.007 -0.207) 0.284 26.806 ( -0.284 0.649 0.598) 0.927 29.257 ( 0.492 -3.922 0.284) 3.962 29.310 ( -1.962 -4.019 0.947) 4.571 29.857 ( 5.409 1.910 -3.528) 6.735 30.056 ( -4.930 3.461 0.530) 6.047 30.743 ( 12.033 -1.347 1.625) 12.217 31.014 ( -11.190 1.917 2.263) 11.577======================= Grid point 77 (29/100) =======================q-point: ( 0.00 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.207 ( 0.000 15.126 16.795) 22.602 1.208 ( 0.000 20.831 12.777) 24.437 2.396 ( 0.000 -13.309 0.232) 13.311 2.468 ( 0.000 31.910 14.445) 35.027 2.712 ( 0.000 12.216 -8.860) 15.091 3.057 ( 0.000 -2.648 -16.620) 16.830 3.479 ( 0.000 -5.547 -4.363) 7.057 3.907 ( 0.000 4.075 -3.712) 5.512 4.061 ( 0.000 2.663 -19.464) 19.645 4.452 ( 0.000 -14.899 -18.134) 23.469 4.598 ( 0.000 6.293 9.522) 11.414 5.033 ( 0.000 -24.393 -5.552) 25.017 5.475 ( 0.000 1.634 12.511) 12.618 5.635 ( 0.000 -2.405 0.644) 2.490 5.826 ( 0.000 3.124 -10.139) 10.610 5.897 ( 0.000 -1.964 -9.368) 9.572 6.321 ( 0.000 -0.040 0.235) 0.239 6.538 ( 0.000 -5.413 0.300) 5.422 6.818 ( 0.000 1.346 -6.841) 6.972 7.070 ( 0.000 4.852 2.997) 5.703 7.539 ( 0.000 -15.657 -1.457) 15.725 7.701 ( 0.000 16.271 5.701) 17.241 7.704 ( 0.000 -2.283 9.344) 9.619 7.802 ( 0.000 3.889 5.729) 6.924 8.024 ( 0.000 11.674 0.942) 11.711 8.115 ( 0.000 -4.726 4.326) 6.407 8.354 ( 0.000 0.406 0.469) 0.620 8.411 ( 0.000 -0.913 8.123) 8.175 8.539 ( 0.000 0.669 4.770) 4.817 9.274 ( 0.000 -13.245 -11.608) 17.612 12.263 ( 0.000 3.407 1.781) 3.844 12.496 ( 0.000 -1.481 3.265) 3.585 12.894 ( 0.000 0.680 1.426) 1.580 13.144 ( 0.000 -0.463 -0.314) 0.560 16.165 ( 0.000 0.577 -2.040) 2.120 16.419 ( 0.000 0.190 1.515) 1.527 16.428 ( 0.000 -1.086 -1.803) 2.104 16.662 ( 0.000 0.117 1.228) 1.234 16.893 ( 0.000 1.539 -0.895) 1.780 16.930 ( 0.000 -0.473 -1.776) 1.838 26.781 ( 0.000 0.121 0.140) 0.185 26.837 ( 0.000 0.529 0.122) 0.543 29.017 ( 0.000 2.351 1.983) 3.076 29.414 ( 0.000 4.714 -1.047) 4.829 29.844 ( 0.000 -3.399 -3.299) 4.737 29.874 ( 0.000 2.650 9.172) 9.548 30.279 ( 0.000 -4.803 9.274) 10.443 31.712 ( 0.000 -0.632 -9.052) 9.074======================= Grid point 78 (30/100) =======================q-point: ( 0.14 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.269 ( 9.328 21.717 8.627) 25.161 1.408 ( 11.899 14.742 13.111) 23.040 2.431 ( 12.479 2.817 11.185) 16.993 2.670 ( -3.392 3.626 -14.298) 15.136 2.825 ( 19.871 3.124 -1.379) 20.162 3.195 ( 11.481 7.329 -3.680) 14.110 3.503 ( 2.389 -5.211 -11.373) 12.736 3.873 ( -4.392 0.016 -10.457) 11.342 4.091 ( 7.554 10.972 -8.302) 15.696 4.371 ( -4.010 -7.718 -1.252) 8.787 4.650 ( 4.350 -2.229 -10.159) 11.273 5.152 ( 6.960 -18.131 -2.788) 19.620 5.461 ( -0.574 -1.110 7.713) 7.813 5.689 ( 0.253 -7.771 1.476) 7.914 5.782 ( 4.329 4.559 -3.127) 7.021 6.055 ( 8.605 0.099 -10.584) 13.641 6.222 ( -8.647 -1.933 -1.511) 8.989 6.448 ( -7.492 -5.962 0.838) 9.611 6.768 ( -5.231 1.779 -4.282) 6.991 7.016 ( -4.593 7.328 2.039) 8.886 7.515 ( -1.883 -8.859 -0.880) 9.099 7.633 ( -6.364 2.728 4.917) 8.492 7.685 ( -2.625 1.864 4.632) 5.641 7.748 ( -1.774 8.336 9.596) 12.834 8.012 ( -3.384 -3.129 3.641) 5.874 8.135 ( 3.610 7.335 1.696) 8.349 8.327 ( 0.508 2.412 0.561) 2.528 8.552 ( 6.063 -0.388 5.818) 8.412 8.569 ( 4.005 -0.992 4.144) 5.847 9.169 ( -8.566 -12.619 -9.243) 17.834 12.246 ( -1.119 3.133 2.065) 3.916 12.463 ( -2.668 -1.252 2.827) 4.084 12.944 ( 3.770 0.811 0.694) 3.918 13.155 ( 0.987 -0.417 0.357) 1.129 16.163 ( -0.069 0.369 -1.417) 1.466 16.327 ( -3.484 1.571 -0.734) 3.892 16.485 ( 1.198 -2.285 0.031) 2.580 16.655 ( -0.822 0.023 1.301) 1.539 16.888 ( -0.160 0.754 -2.028) 2.169 16.966 ( 2.248 -0.102 -0.878) 2.416 26.780 ( -0.030 0.132 0.067) 0.151 26.833 ( -0.316 0.552 0.248) 0.683 29.071 ( 3.848 -1.230 1.815) 4.428 29.371 ( -3.632 0.952 0.002) 3.754 29.782 ( -0.360 2.605 1.340) 2.952 30.082 ( 12.853 1.126 2.134) 13.078 30.264 ( -1.085 -5.564 8.481) 10.201 31.596 ( -10.003 1.530 -7.588) 12.648======================= Grid point 79 (31/100) =======================q-point: ( 0.29 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( 11.074 16.094 7.749) 21.017 1.760 ( 22.171 11.827 4.195) 25.476 2.454 ( -10.093 -4.475 -10.972) 15.566 2.880 ( 8.990 -2.811 -0.737) 9.448 3.041 ( 6.921 -5.528 -10.102) 13.436 3.331 ( -1.917 5.903 3.050) 6.915 3.694 ( 9.475 5.037 -4.298) 11.559 3.881 ( 15.358 -2.214 -9.199) 18.038 4.286 ( 14.113 14.199 -5.123) 20.665 4.546 ( 12.054 -1.450 -9.848) 15.633 4.736 ( 8.944 -5.383 -7.646) 12.940 5.200 ( -4.264 -6.166 -2.275) 7.834 5.441 ( -1.075 -6.464 12.578) 14.182 5.669 ( -1.904 -3.778 0.260) 4.238 5.904 ( -2.747 -0.027 2.975) 4.050 5.971 ( -5.730 -2.223 -7.630) 9.798 6.194 ( -2.568 -0.204 -3.249) 4.147 6.327 ( 1.863 -4.947 -3.497) 6.338 6.612 ( -8.190 3.337 0.200) 8.846 6.896 ( -6.681 6.499 0.732) 9.349 7.441 ( -4.658 1.429 -0.283) 4.880 7.555 ( 0.653 -3.119 1.702) 3.613 7.636 ( -1.795 0.252 2.171) 2.828 7.717 ( -1.397 5.621 8.419) 10.220 7.925 ( -4.176 -5.228 3.392) 7.502 8.170 ( -2.109 7.040 3.669) 8.214 8.381 ( 3.740 3.129 -0.367) 4.889 8.541 ( -2.902 2.296 1.371) 3.946 8.724 ( 6.552 -3.914 3.546) 8.416 9.001 ( -5.903 -12.468 -3.812) 14.312 12.235 ( 0.282 1.854 1.882) 2.657 12.399 ( -3.280 -1.033 2.274) 4.123 13.018 ( 2.904 1.715 -0.393) 3.396 13.179 ( 1.108 0.247 1.970) 2.274 16.174 ( 1.356 -0.091 -1.116) 1.758 16.286 ( -0.938 1.452 -1.968) 2.619 16.495 ( 0.276 -2.129 0.422) 2.188 16.626 ( -1.936 -0.037 1.273) 2.317 16.885 ( -0.121 0.003 -2.557) 2.560 16.997 ( 0.679 -0.131 0.224) 0.727 26.781 ( 0.191 0.180 -0.127) 0.292 26.825 ( -0.379 0.528 0.483) 0.810 29.136 ( 2.114 -4.016 2.112) 5.005 29.287 ( -3.950 -2.711 1.224) 4.945 29.819 ( 3.371 3.277 1.477) 4.928 30.177 ( -3.468 -0.948 7.203) 8.050 30.423 ( 15.345 -1.055 -1.098) 15.420 31.345 ( -13.121 3.356 -5.526) 14.627======================= Grid point 80 (32/100) =======================q-point: ( 0.43 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.777 ( 16.729 4.471 2.921) 17.561 2.146 ( -14.081 -5.404 -3.962) 15.594 2.280 ( 21.431 6.729 -0.942) 22.483 2.735 ( -16.027 2.928 -9.957) 19.094 3.150 ( -1.554 -2.708 -11.495) 11.911 3.206 ( -3.296 1.587 -2.573) 4.473 4.061 ( 22.718 4.165 3.675) 23.387 4.286 ( 14.089 -7.773 -6.326) 17.290 4.539 ( -1.432 2.215 -1.962) 3.287 4.636 ( 4.793 -2.006 -14.626) 15.521 5.005 ( -1.752 15.490 -8.584) 17.796 5.102 ( 8.267 -4.115 -3.411) 9.844 5.425 ( 2.020 -7.443 7.689) 10.890 5.620 ( 1.557 0.442 9.523) 9.660 5.667 ( -12.309 -0.189 -1.790) 12.439 5.824 ( -13.384 -8.611 7.065) 17.412 6.198 ( 3.660 5.955 -6.562) 9.587 6.374 ( -2.103 2.681 -0.618) 3.463 6.554 ( 4.984 0.329 -2.333) 5.513 6.745 ( -7.288 1.632 0.841) 7.515 7.386 ( -0.761 -0.016 -4.630) 4.692 7.561 ( -0.912 -3.968 -2.796) 4.939 7.657 ( 2.892 3.589 5.808) 7.415 7.699 ( 0.108 4.029 8.103) 9.050 7.871 ( 0.239 -2.987 3.009) 4.246 8.033 ( -8.751 1.844 4.421) 9.976 8.447 ( 2.088 2.641 -1.570) 3.715 8.494 ( -1.129 0.899 -0.531) 1.537 8.833 ( 3.777 -5.963 1.782) 7.280 8.921 ( -2.558 -9.196 1.111) 9.610 12.257 ( 1.445 0.520 1.138) 1.911 12.334 ( -2.493 -0.659 2.384) 3.512 13.060 ( 1.040 2.231 -1.240) 2.756 13.196 ( 0.430 1.191 3.409) 3.637 16.217 ( 2.454 0.004 -1.833) 3.063 16.263 ( -1.642 0.705 -2.265) 2.885 16.511 ( 1.251 -1.149 0.267) 1.720 16.579 ( -2.114 -0.560 1.806) 2.836 16.883 ( -0.055 -0.339 -3.002) 3.022 17.001 ( -0.062 -0.485 1.326) 1.413 26.786 ( 0.180 0.344 -0.388) 0.548 26.818 ( -0.216 0.411 0.759) 0.890 29.168 ( 1.169 -3.983 1.987) 4.603 29.219 ( -2.319 -4.104 2.188) 5.197 29.901 ( 3.642 1.888 1.574) 4.394 30.089 ( -3.858 -0.809 7.296) 8.293 30.744 ( 14.480 1.688 -4.032) 15.126 31.065 ( -13.324 2.667 -3.787) 14.106======================= Grid point 84 (33/100) =======================q-point: ( 0.00 0.38 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.455 ( 0.000 7.949 13.009) 15.245 1.686 ( 0.000 22.458 -0.810) 22.472 1.971 ( 0.000 -20.544 6.422) 21.525 2.617 ( 0.000 -14.380 -25.612) 29.373 3.099 ( 0.000 19.855 -14.263) 24.447 3.109 ( 0.000 9.435 13.497) 16.468 3.475 ( 0.000 4.763 -4.259) 6.389 3.754 ( 0.000 -11.116 1.710) 11.247 4.116 ( 0.000 -15.134 -15.674) 21.788 4.336 ( 0.000 13.588 5.256) 14.569 4.492 ( 0.000 -25.024 -6.140) 25.766 4.979 ( 0.000 24.498 -2.582) 24.633 5.578 ( 0.000 8.126 12.280) 14.725 5.599 ( 0.000 -1.055 3.761) 3.906 5.878 ( 0.000 1.377 -10.900) 10.987 5.893 ( 0.000 0.809 -11.885) 11.912 6.309 ( 0.000 -0.926 1.530) 1.788 6.453 ( 0.000 -2.591 -1.297) 2.898 6.861 ( 0.000 2.032 -11.428) 11.607 7.007 ( 0.000 -16.084 -3.614) 16.485 7.280 ( 0.000 -1.732 3.564) 3.963 7.575 ( 0.000 -7.571 2.747) 8.054 7.931 ( 0.000 5.526 10.258) 11.652 8.005 ( 0.000 11.233 4.979) 12.287 8.026 ( 0.000 -3.162 4.223) 5.276 8.195 ( 0.000 4.451 0.670) 4.501 8.353 ( 0.000 -0.711 -2.269) 2.377 8.409 ( 0.000 0.949 9.195) 9.244 8.538 ( 0.000 -0.934 3.691) 3.807 9.003 ( 0.000 -10.234 -8.797) 13.495 12.336 ( 0.000 3.341 2.638) 4.257 12.456 ( 0.000 -2.176 4.004) 4.557 12.909 ( 0.000 0.660 1.246) 1.410 13.133 ( 0.000 -0.494 -0.160) 0.519 16.184 ( 0.000 0.931 -1.278) 1.581 16.404 ( 0.000 -1.069 -1.811) 2.103 16.422 ( 0.000 0.084 1.503) 1.506 16.664 ( 0.000 0.077 2.248) 2.249 16.921 ( 0.000 -0.323 -1.823) 1.851 16.924 ( 0.000 1.168 -2.499) 2.758 26.782 ( 0.000 0.012 0.127) 0.128 26.849 ( 0.000 0.495 -0.011) 0.495 29.066 ( 0.000 1.935 1.645) 2.540 29.506 ( 0.000 3.407 -1.809) 3.858 29.776 ( 0.000 -2.660 -2.841) 3.892 29.940 ( 0.000 3.502 8.814) 9.484 30.172 ( 0.000 -5.041 11.166) 12.251 31.703 ( 0.000 -0.293 -9.788) 9.792======================= Grid point 85 (34/100) =======================q-point: ( 0.14 0.38 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 10.881 9.077 13.193) 19.361 1.762 ( 9.005 18.790 -2.967) 21.046 2.190 ( 19.074 -15.020 6.731) 25.194 2.552 ( -4.565 -9.841 -22.330) 24.826 3.079 ( 4.043 11.283 -2.647) 12.274 3.357 ( 6.814 3.738 1.339) 7.886 3.460 ( 1.239 6.287 -8.004) 10.253 3.780 ( 6.013 -6.069 -2.295) 8.847 4.132 ( 4.445 -11.716 -9.618) 15.797 4.258 ( -2.816 -8.268 -2.137) 8.992 4.672 ( 11.114 0.629 1.652) 11.253 5.064 ( 6.545 15.314 -2.485) 16.839 5.493 ( -4.270 4.930 4.123) 7.716 5.604 ( -0.677 1.079 6.384) 6.510 5.882 ( 3.153 3.517 -5.710) 7.411 6.041 ( 7.283 -2.244 -11.468) 13.770 6.184 ( -8.631 -0.565 0.442) 8.661 6.369 ( -6.824 -2.208 -1.287) 7.287 6.828 ( -3.563 3.220 -11.612) 12.566 7.028 ( 1.007 -12.515 -4.393) 13.302 7.286 ( 0.263 -2.242 4.092) 4.673 7.555 ( -2.036 -6.365 4.735) 8.190 7.822 ( -7.765 6.080 7.036) 12.115 7.920 ( -5.413 2.490 3.266) 6.794 8.013 ( -3.036 7.104 7.690) 10.901 8.253 ( 3.297 3.070 0.048) 4.505 8.348 ( 0.741 -2.864 -1.611) 3.369 8.495 ( 6.409 -0.978 6.757) 9.364 8.570 ( 2.234 -0.720 4.256) 4.860 8.916 ( -7.508 -9.142 -7.025) 13.759 12.316 ( -1.639 3.223 2.621) 4.466 12.429 ( -2.272 -1.868 3.541) 4.603 12.957 ( 3.965 0.418 0.916) 4.091 13.148 ( 1.326 -0.258 -0.164) 1.361 16.176 ( -0.609 0.630 -0.508) 1.013 16.358 ( -2.326 1.374 -1.063) 2.904 16.439 ( 0.412 -2.001 0.205) 2.053 16.655 ( -0.915 -0.004 1.858) 2.071 16.905 ( -0.541 0.704 -2.042) 2.226 16.963 ( 2.030 -0.119 -1.721) 2.664 26.781 ( -0.015 0.017 0.145) 0.147 26.845 ( -0.333 0.492 0.061) 0.597 29.073 ( 0.588 0.826 2.144) 2.372 29.376 ( -7.979 -0.349 0.763) 8.023 29.848 ( 2.437 3.741 1.956) 4.874 30.075 ( 9.981 -3.317 1.837) 10.677 30.175 ( 2.780 -1.243 9.991) 10.445 31.615 ( -7.928 0.439 -9.430) 12.327======================= Grid point 86 (35/100) =======================q-point: ( 0.29 0.38 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( 7.682 13.531 11.978) 19.636 2.057 ( 16.602 14.009 -5.167) 22.328 2.393 ( -4.652 -0.870 -13.687) 14.482 2.721 ( 21.140 -9.357 5.067) 23.667 3.059 ( -5.381 4.198 -9.450) 11.656 3.364 ( -6.113 -2.565 5.477) 8.599 3.505 ( 5.143 -8.295 -16.636) 19.288 4.010 ( 11.983 4.053 -1.894) 12.791 4.289 ( 7.328 -20.251 2.035) 21.632 4.403 ( 17.382 -3.848 -10.230) 20.533 4.848 ( 6.059 10.343 4.408) 12.772 5.169 ( 1.823 0.353 5.665) 5.962 5.444 ( 0.094 11.164 -5.292) 12.356 5.622 ( 0.952 1.632 7.222) 7.465 5.891 ( -3.013 -1.051 -0.532) 3.235 5.957 ( -7.946 -0.862 -7.657) 11.068 6.242 ( 4.551 3.777 -4.614) 7.501 6.289 ( 5.256 1.370 -6.534) 8.496 6.708 ( -7.479 5.170 -8.564) 12.491 7.002 ( -4.483 -1.793 -3.816) 6.154 7.287 ( 0.206 -8.775 3.198) 9.341 7.485 ( -4.684 -3.689 6.749) 9.006 7.669 ( -5.246 1.824 3.793) 6.725 7.829 ( -3.596 0.313 4.715) 5.938 7.920 ( -3.954 8.078 4.190) 9.922 8.278 ( -2.641 1.735 0.722) 3.242 8.391 ( 2.697 -4.100 0.304) 4.917 8.529 ( -4.191 -1.501 -1.498) 4.697 8.653 ( 5.329 -1.552 5.834) 8.053 8.778 ( -3.019 -6.784 -0.178) 7.428 12.284 ( -1.069 2.452 2.331) 3.548 12.374 ( -2.779 -1.309 2.834) 4.180 13.047 ( 4.079 0.978 -0.043) 4.195 13.180 ( 1.469 -0.080 0.176) 1.482 16.176 ( 0.992 0.154 0.129) 1.013 16.322 ( -1.450 1.756 -1.721) 2.854 16.449 ( 0.893 -2.107 0.420) 2.327 16.622 ( -2.248 -0.208 1.147) 2.532 16.896 ( -0.269 0.781 -1.771) 1.954 16.988 ( 0.221 -0.603 -0.763) 0.998 26.784 ( 0.367 0.098 0.115) 0.397 26.835 ( -0.569 0.374 0.226) 0.717 29.086 ( 0.585 -1.005 3.110) 3.320 29.233 ( -5.475 -2.155 2.747) 6.493 29.888 ( 1.979 3.550 5.151) 6.561 30.097 ( -2.426 -5.458 8.732) 10.579 30.452 ( 16.838 2.397 -3.419) 17.348 31.397 ( -12.327 1.556 -8.677) 15.154======================= Grid point 87 (36/100) =======================q-point: ( 0.43 0.38 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.977 ( 9.298 13.604 6.852) 17.845 2.175 ( -8.254 7.346 -5.785) 12.472 2.497 ( 17.479 12.282 -1.797) 21.438 2.843 ( -11.145 5.535 -10.926) 16.560 3.039 ( 2.366 -6.269 -5.387) 8.597 3.198 ( -4.699 -2.100 1.159) 5.276 3.749 ( 15.538 -21.496 -11.569) 28.937 4.108 ( -4.510 -17.784 -2.276) 18.488 4.484 ( 8.469 -1.977 4.701) 9.886 4.640 ( 2.249 -0.576 1.096) 2.567 5.028 ( 11.614 1.658 -3.277) 12.180 5.193 ( 1.031 -5.426 4.948) 7.415 5.449 ( 0.233 9.748 -4.298) 10.656 5.555 ( -7.773 -3.133 13.323) 15.740 5.795 ( -1.266 8.690 -6.090) 10.687 5.872 ( -2.554 11.524 -15.731) 19.667 6.335 ( 3.730 7.739 -6.532) 10.792 6.473 ( 5.281 4.930 -4.730) 8.635 6.594 ( 2.846 4.696 -0.588) 5.523 6.825 ( -11.818 5.080 0.707) 12.883 7.301 ( 0.968 -11.630 -0.755) 11.694 7.379 ( -4.115 -10.115 1.874) 11.079 7.651 ( 2.859 -1.192 6.029) 6.778 7.747 ( -4.004 -1.233 6.197) 7.481 7.912 ( 3.711 6.338 1.186) 7.440 8.099 ( -11.549 2.506 1.375) 11.897 8.438 ( 1.421 -3.555 -0.201) 3.834 8.471 ( -0.780 -1.511 -1.474) 2.250 8.736 ( 2.358 -2.713 4.006) 5.382 8.764 ( -0.011 -4.598 3.750) 5.933 12.278 ( 0.398 1.266 1.819) 2.252 12.322 ( -1.862 -0.548 2.598) 3.243 13.111 ( 1.735 2.372 -1.435) 3.270 13.201 ( 0.490 -0.547 1.195) 1.402 16.220 ( 2.925 0.180 -0.594) 2.990 16.281 ( -2.572 0.866 -1.471) 3.087 16.486 ( 2.577 -1.094 0.531) 2.850 16.562 ( -3.221 -0.858 1.183) 3.537 16.896 ( 0.182 1.328 -2.246) 2.615 16.980 ( -0.554 -1.371 0.492) 1.559 26.795 ( 0.513 0.438 -0.107) 0.683 26.823 ( -0.538 0.007 0.510) 0.742 29.102 ( 1.156 -2.054 3.698) 4.385 29.146 ( -2.919 -2.563 3.711) 5.372 29.935 ( 2.137 1.497 5.807) 6.366 30.039 ( -2.517 -3.161 9.143) 9.996 30.797 ( 15.704 2.513 -6.647) 17.237 31.117 ( -14.112 1.980 -7.617) 16.158======================= Grid point 91 (37/100) =======================q-point: ( 0.00 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.554 ( 0.000 0.000 11.222) 11.222 1.703 ( 0.000 0.000 8.050) 8.050 2.042 ( 0.000 0.000 3.547) 3.547 2.328 ( 0.000 0.000 -36.008) 36.008 3.229 ( 0.000 0.000 14.778) 14.778 3.430 ( 0.000 0.000 -11.717) 11.717 3.509 ( 0.000 0.000 -10.757) 10.757 3.595 ( 0.000 0.000 2.825) 2.825 3.975 ( 0.000 0.000 -16.009) 16.009 4.103 ( 0.000 0.000 -1.099) 1.099 4.497 ( 0.000 0.000 12.293) 12.293 5.306 ( 0.000 0.000 -6.514) 6.514 5.588 ( 0.000 0.000 4.201) 4.201 5.718 ( 0.000 0.000 14.050) 14.050 5.890 ( 0.000 0.000 -13.225) 13.225 5.906 ( 0.000 0.000 -12.647) 12.647 6.296 ( 0.000 0.000 2.255) 2.255 6.426 ( 0.000 0.000 -1.950) 1.950 6.733 ( 0.000 0.000 -3.905) 3.905 6.885 ( 0.000 0.000 -11.486) 11.486 7.299 ( 0.000 0.000 7.836) 7.836 7.466 ( 0.000 0.000 -1.953) 1.953 7.971 ( 0.000 0.000 1.212) 1.212 8.017 ( 0.000 0.000 12.790) 12.790 8.135 ( 0.000 -0.000 5.241) 5.241 8.232 ( 0.000 0.000 -0.059) 0.059 8.337 ( 0.000 0.000 -5.659) 5.659 8.435 ( 0.000 0.000 11.697) 11.697 8.513 ( 0.000 0.000 1.330) 1.330 8.891 ( 0.000 0.000 -6.654) 6.654 12.394 ( 0.000 -0.000 2.647) 2.647 12.411 ( 0.000 0.000 4.539) 4.539 12.917 ( 0.000 0.000 1.148) 1.148 13.127 ( 0.000 0.000 -0.075) 0.075 16.196 ( 0.000 0.000 -0.583) 0.583 16.391 ( 0.000 0.000 -2.032) 2.032 16.423 ( 0.000 0.000 1.502) 1.502 16.665 ( 0.000 0.000 2.652) 2.652 16.917 ( 0.000 0.000 -1.843) 1.843 16.937 ( 0.000 0.000 -3.078) 3.078 26.782 ( 0.000 0.000 0.167) 0.167 26.854 ( 0.000 0.000 -0.077) 0.077 29.088 ( 0.000 0.000 1.487) 1.487 29.544 ( 0.000 0.000 -1.991) 1.991 29.746 ( 0.000 0.000 -2.635) 2.635 29.998 ( 0.000 0.000 4.545) 4.545 30.097 ( 0.000 0.000 15.741) 15.741 31.700 ( 0.000 0.000 -9.881) 9.881======================= Grid point 93 (38/100) =======================q-point: ( 0.14 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( 12.958 0.000 13.273) 18.549 1.950 ( 19.758 0.000 2.521) 19.919 2.118 ( 7.141 0.000 2.858) 7.691 2.346 ( 3.512 -0.000 -31.245) 31.441 3.195 ( -1.366 0.000 2.339) 2.709 3.420 ( -10.797 0.000 -0.159) 10.798 3.625 ( 15.735 0.000 -2.562) 15.943 3.714 ( 7.027 -0.000 -4.162) 8.167 3.959 ( -1.102 0.000 -15.041) 15.081 4.006 ( 1.306 0.000 -1.892) 2.299 4.725 ( 15.130 0.000 11.894) 19.245 5.258 ( -4.457 0.000 0.671) 4.507 5.621 ( 3.721 0.000 -6.001) 7.061 5.669 ( -2.315 0.000 9.097) 9.387 5.918 ( -1.065 -0.000 -7.872) 7.944 5.973 ( 3.604 0.000 -10.785) 11.371 6.241 ( -0.563 0.000 1.770) 1.857 6.310 ( -7.539 0.000 -1.410) 7.670 6.780 ( 2.616 0.000 -4.738) 5.412 6.873 ( -1.988 0.000 -13.622) 13.766 7.321 ( 1.275 0.000 9.029) 9.119 7.447 ( -1.840 0.000 0.102) 1.843 7.877 ( -7.752 0.000 3.824) 8.644 7.953 ( -4.855 -0.000 10.987) 12.012 8.173 ( 2.311 -0.000 6.006) 6.435 8.216 ( -6.932 0.000 -4.618) 8.330 8.286 ( 2.496 0.000 -1.270) 2.801 8.528 ( 5.993 0.000 9.062) 10.864 8.537 ( 1.729 -0.000 0.494) 1.798 8.820 ( -6.214 0.000 -4.995) 7.973 12.369 ( -2.118 0.000 2.561) 3.323 12.392 ( -1.703 -0.000 4.046) 4.390 12.962 ( 3.867 0.000 0.992) 3.992 13.145 ( 1.542 0.000 -0.329) 1.577 16.184 ( -0.906 0.000 0.101) 0.911 16.380 ( -1.033 -0.000 -1.906) 2.168 16.410 ( -0.593 0.000 0.904) 1.081 16.655 ( -0.992 0.000 2.026) 2.256 16.913 ( -0.373 0.000 -1.360) 1.410 16.961 ( 1.649 0.000 -2.708) 3.170 26.781 ( -0.003 0.000 0.210) 0.210 26.851 ( -0.354 0.000 -0.031) 0.355 29.085 ( -0.285 0.000 1.958) 1.979 29.370 ( -9.522 0.000 1.212) 9.599 29.917 ( 6.520 0.000 0.562) 6.544 29.999 ( 0.007 0.000 5.067) 5.067 30.175 ( 9.846 0.000 8.552) 13.041 31.619 ( -7.340 0.000 -9.736) 12.193======================= Grid point 95 (39/100) =======================q-point: ( 0.29 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( 11.851 0.000 15.040) 19.148 2.256 ( 6.361 0.000 -26.121) 26.885 2.338 ( 13.771 -0.000 0.920) 13.801 2.613 ( 20.815 0.000 2.279) 20.939 3.164 ( -2.705 -0.000 -8.998) 9.396 3.182 ( -9.818 0.000 -2.978) 10.260 3.589 ( -10.934 0.000 4.065) 11.666 3.889 ( 0.129 0.000 -6.640) 6.641 4.071 ( 19.258 0.000 -1.829) 19.344 4.352 ( 21.046 -0.000 -7.831) 22.455 4.971 ( 7.113 0.000 15.713) 17.248 5.145 ( -5.415 0.000 3.712) 6.565 5.664 ( -4.520 0.000 2.402) 5.119 5.667 ( -0.126 -0.000 -0.049) 0.135 5.864 ( 3.041 -0.000 -17.387) 17.651 5.941 ( -4.273 0.000 -7.502) 8.634 6.290 ( 6.417 0.000 -4.640) 7.919 6.371 ( 10.639 0.000 0.289) 10.643 6.790 ( -5.530 -0.000 -13.245) 14.353 6.812 ( 0.830 0.000 -5.475) 5.537 7.307 ( -3.551 0.000 9.890) 10.508 7.370 ( -6.885 0.000 5.616) 8.885 7.692 ( -7.811 0.000 3.924) 8.741 7.840 ( -5.595 0.000 8.903) 10.515 8.074 ( -5.179 0.000 -4.257) 6.704 8.192 ( -1.471 0.000 3.430) 3.732 8.349 ( 2.888 0.000 -0.280) 2.902 8.527 ( -4.261 0.000 -2.330) 4.856 8.645 ( 4.682 0.000 6.692) 8.167 8.708 ( -1.676 -0.000 1.409) 2.189 12.323 ( -1.932 0.000 2.333) 3.029 12.349 ( -2.127 -0.000 3.149) 3.800 13.058 ( 4.791 0.000 0.443) 4.812 13.179 ( 1.303 0.000 -0.754) 1.506 16.178 ( 0.820 0.000 0.663) 1.055 16.347 ( -2.094 -0.000 -1.562) 2.612 16.419 ( 1.600 0.000 0.413) 1.652 16.620 ( -2.466 0.000 0.985) 2.655 16.907 ( -0.003 0.000 -0.569) 0.569 16.979 ( -0.199 0.000 -1.983) 1.993 26.785 ( 0.468 0.000 0.270) 0.540 26.840 ( -0.700 0.000 0.067) 0.703 29.078 ( -0.277 0.000 3.078) 3.090 29.208 ( -5.898 0.000 3.685) 6.954 29.965 ( 0.290 0.000 8.061) 8.066 29.995 ( -0.389 -0.000 6.334) 6.346 30.482 ( 16.752 0.000 -3.310) 17.075 31.413 ( -11.855 0.000 -9.371) 15.111======================= Grid point 97 (40/100) =======================q-point: ( 0.43 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.191 ( 7.551 0.000 6.905) 10.231 2.298 ( -1.993 0.000 -12.871) 13.024 2.669 ( 16.675 0.000 -1.147) 16.715 2.905 ( 2.836 0.000 -7.635) 8.145 3.023 ( -7.135 0.000 7.029) 10.016 3.068 ( -5.779 -0.000 -9.262) 10.917 3.525 ( 9.473 0.000 -2.506) 9.799 3.785 ( -10.007 0.000 -5.696) 11.514 4.473 ( 15.154 0.000 6.043) 16.315 4.622 ( 2.087 0.000 1.860) 2.795 5.089 ( 4.864 -0.000 4.451) 6.593 5.092 ( 1.450 0.000 -2.854) 3.201 5.520 ( -5.864 0.000 11.444) 12.859 5.534 ( -8.266 -0.000 5.464) 9.909 5.972 ( 3.915 0.000 -19.360) 19.752 5.980 ( 3.960 -0.000 -25.907) 26.208 6.464 ( 7.542 0.000 -6.876) 10.206 6.556 ( 0.935 -0.000 -7.346) 7.405 6.740 ( 6.767 -0.000 0.480) 6.784 6.853 ( 2.847 0.000 -0.138) 2.850 7.136 ( -11.712 0.000 7.358) 13.831 7.162 ( -9.229 0.000 8.556) 12.585 7.639 ( 2.268 0.000 5.500) 5.949 7.728 ( -5.130 0.000 6.947) 8.635 8.021 ( 0.381 0.000 -2.627) 2.655 8.096 ( -6.086 -0.000 -0.942) 6.159 8.400 ( 1.958 0.000 0.773) 2.105 8.440 ( -2.531 0.000 0.621) 2.606 8.712 ( 1.683 0.000 4.685) 4.978 8.718 ( 0.822 -0.000 3.471) 3.568 12.299 ( -0.258 0.000 2.211) 2.226 12.311 ( -1.342 -0.000 2.471) 2.811 13.145 ( 3.251 0.000 -0.285) 3.264 13.187 ( -0.722 0.000 -0.785) 1.066 16.222 ( 3.144 0.000 -0.029) 3.144 16.292 ( -3.155 0.000 -0.994) 3.308 16.473 ( 3.365 0.000 0.631) 3.423 16.552 ( -3.835 0.000 0.721) 3.902 16.920 ( 1.340 -0.000 -0.560) 1.452 16.956 ( -1.748 0.000 -1.201) 2.121 26.801 ( 0.942 0.000 0.255) 0.976 26.822 ( -0.978 0.000 0.173) 0.993 29.081 ( 0.750 0.000 4.190) 4.257 29.117 ( -2.877 0.000 4.583) 5.411 29.969 ( 0.399 0.000 8.542) 8.551 29.982 ( -0.738 -0.000 7.672) 7.707 30.826 ( 15.791 0.000 -7.091) 17.310 31.139 ( -14.066 0.000 -8.664) 16.520======================= Grid point 126 (41/100) =======================q-point: ( 0.00 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( 0.000 0.000 22.768) 22.768 1.300 ( 0.000 0.000 29.447) 29.447 1.726 ( 0.000 0.000 -25.250) 25.250 2.317 ( 0.000 0.000 4.001) 4.001 2.518 ( 0.000 0.000 35.117) 35.117 3.061 ( 0.000 0.000 9.232) 9.232 3.092 ( 0.000 0.000 -39.172) 39.172 3.500 ( 0.000 0.000 -18.389) 18.389 4.236 ( 0.000 0.000 -22.541) 22.541 4.322 ( 0.000 0.000 -1.515) 1.515 4.427 ( 0.000 0.000 -17.116) 17.116 5.184 ( 0.000 0.000 -24.154) 24.154 5.495 ( 0.000 0.000 -4.280) 4.280 5.859 ( 0.000 0.000 -3.702) 3.702 5.888 ( 0.000 0.000 2.142) 2.142 5.902 ( 0.000 0.000 11.678) 11.678 6.375 ( 0.000 0.000 3.145) 3.145 6.792 ( 0.000 0.000 -1.558) 1.558 6.844 ( 0.000 0.000 -9.160) 9.160 7.246 ( 0.000 0.000 17.572) 17.572 7.336 ( 0.000 0.000 4.535) 4.535 7.508 ( 0.000 0.000 -2.781) 2.781 7.565 ( 0.000 0.000 2.499) 2.499 8.015 ( 0.000 0.000 10.331) 10.331 8.107 ( 0.000 0.000 -1.811) 1.811 8.169 ( 0.000 0.000 -0.527) 0.527 8.311 ( 0.000 0.000 -2.265) 2.265 8.628 ( 0.000 0.000 7.725) 7.725 8.674 ( 0.000 0.000 11.270) 11.270 9.218 ( 0.000 0.000 -7.667) 7.667 12.227 ( 0.000 0.000 2.666) 2.666 12.471 ( 0.000 0.000 -0.981) 0.981 12.923 ( 0.000 0.000 2.600) 2.600 13.139 ( 0.000 0.000 -0.941) 0.941 16.251 ( 0.000 0.000 0.492) 0.492 16.408 ( 0.000 0.000 -1.595) 1.595 16.459 ( 0.000 0.000 2.975) 2.975 16.632 ( 0.000 0.000 1.775) 1.775 16.886 ( 0.000 0.000 -0.901) 0.901 16.892 ( 0.000 0.000 -3.208) 3.208 26.795 ( 0.000 0.000 0.597) 0.597 26.832 ( 0.000 0.000 0.170) 0.170 29.031 ( 0.000 0.000 4.669) 4.669 29.353 ( 0.000 0.000 2.019) 2.019 29.726 ( 0.000 0.000 -3.123) 3.123 29.819 ( 0.000 0.000 -6.933) 6.933 30.605 ( 0.000 0.000 11.369) 11.369 31.692 ( 0.000 0.000 -4.913) 4.913======================= Grid point 127 (42/100) =======================q-point: ( 0.14 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.255 ( 16.147 0.000 20.040) 25.736 1.437 ( 2.320 0.000 31.167) 31.253 1.983 ( 20.534 0.000 -24.050) 31.623 2.341 ( 2.039 0.000 -14.492) 14.635 2.616 ( 18.992 0.000 44.025) 47.947 2.919 ( -5.760 0.000 -28.895) 29.464 3.415 ( 20.690 0.000 -4.850) 21.251 3.637 ( 7.525 0.000 -14.281) 16.142 3.986 ( -15.198 0.000 -4.088) 15.738 4.166 ( -3.524 0.000 -21.997) 22.277 4.757 ( 16.141 0.000 -10.350) 19.174 5.094 ( -6.877 0.000 -19.712) 20.878 5.514 ( -2.383 0.000 -14.141) 14.340 5.681 ( -10.785 0.000 4.760) 11.789 5.867 ( 2.983 0.000 -0.612) 3.045 6.006 ( 1.422 0.000 7.102) 7.243 6.387 ( 3.231 0.000 1.335) 3.496 6.735 ( -6.451 0.000 2.864) 7.058 6.860 ( -1.952 0.000 -6.021) 6.330 7.152 ( -5.022 0.000 11.770) 12.796 7.385 ( 2.099 0.000 6.871) 7.184 7.530 ( 2.139 0.000 -2.488) 3.281 7.614 ( 3.144 0.000 3.811) 4.941 8.025 ( 1.207 0.000 7.874) 7.966 8.104 ( -0.535 0.000 -1.491) 1.584 8.148 ( -1.869 0.000 -0.932) 2.089 8.269 ( -2.560 0.000 -2.062) 3.287 8.533 ( -12.047 0.000 16.461) 20.399 8.711 ( 6.491 0.000 6.073) 8.889 9.177 ( -2.764 0.000 -9.280) 9.683 12.232 ( 0.553 0.000 2.494) 2.555 12.453 ( -1.648 0.000 -0.819) 1.840 12.954 ( 2.809 0.000 3.055) 4.150 13.182 ( 2.967 0.000 -0.529) 3.014 16.236 ( -7.223 0.000 2.404) 7.613 16.249 ( -0.191 0.000 0.178) 0.262 16.586 ( 3.784 0.000 -1.125) 3.948 16.612 ( -1.683 0.000 1.407) 2.194 16.890 ( 0.576 0.000 -0.983) 1.140 16.906 ( 1.108 0.000 -2.761) 2.975 26.786 ( -0.522 0.000 0.649) 0.833 26.827 ( -0.420 0.000 0.181) 0.457 29.183 ( 11.120 0.000 -0.574) 11.135 29.359 ( 1.215 0.000 1.557) 1.975 29.590 ( -7.603 0.000 -2.651) 8.052 29.941 ( 5.647 0.000 -7.663) 9.519 30.616 ( 1.557 0.000 11.411) 11.517 31.570 ( -10.021 0.000 -0.501) 10.033======================= Grid point 128 (43/100) =======================q-point: ( 0.29 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( 3.925 0.000 28.393) 28.663 1.709 ( 25.518 0.000 14.485) 29.343 2.339 ( 6.644 0.000 -21.463) 22.468 2.412 ( 5.247 0.000 -20.663) 21.319 2.817 ( -3.440 0.000 -32.910) 33.089 3.266 ( 30.887 0.000 27.956) 41.660 3.529 ( -12.190 0.000 -0.842) 12.219 3.630 ( 1.151 0.000 -11.377) 11.435 4.074 ( 23.162 0.000 3.650) 23.448 4.279 ( 10.355 0.000 -26.398) 28.356 4.961 ( -5.397 0.000 -19.943) 20.660 5.014 ( 6.625 0.000 -3.222) 7.367 5.383 ( -4.982 0.000 -7.061) 8.642 5.494 ( -5.437 0.000 0.873) 5.507 5.955 ( -5.345 0.000 2.974) 6.117 6.007 ( 7.404 0.000 -7.390) 10.461 6.394 ( -7.551 0.000 2.587) 7.982 6.508 ( -13.731 0.000 9.731) 16.829 6.810 ( 1.693 0.000 -1.526) 2.279 7.093 ( -1.396 0.000 7.603) 7.730 7.404 ( 0.152 0.000 5.244) 5.246 7.600 ( 4.411 0.000 -0.602) 4.452 7.617 ( -3.265 0.000 9.789) 10.320 8.017 ( -5.457 0.000 9.292) 10.776 8.074 ( -2.022 0.000 -0.903) 2.215 8.114 ( -0.490 0.000 -1.327) 1.414 8.244 ( 0.145 0.000 -2.687) 2.691 8.287 ( -7.576 0.000 8.553) 11.426 8.856 ( 6.778 0.000 3.454) 7.607 9.125 ( -2.352 0.000 -7.664) 8.017 12.254 ( 1.572 0.000 1.822) 2.406 12.407 ( -2.590 0.000 -0.374) 2.617 13.032 ( 4.363 0.000 4.058) 5.959 13.222 ( 0.390 0.000 2.024) 2.061 16.152 ( -1.114 0.000 0.551) 1.242 16.239 ( -0.899 0.000 -0.618) 1.091 16.577 ( -1.324 0.000 0.973) 1.643 16.609 ( -0.716 0.000 -0.628) 0.952 16.912 ( 1.256 0.000 -1.400) 1.881 16.929 ( 0.882 0.000 -2.135) 2.310 26.782 ( 0.120 0.000 0.417) 0.434 26.816 ( -0.640 0.000 0.206) 0.673 29.305 ( 0.859 0.000 0.803) 1.176 29.449 ( -5.661 0.000 -1.274) 5.802 29.497 ( 10.792 0.000 -4.561) 11.716 29.987 ( -1.668 0.000 -7.893) 8.067 30.701 ( 6.909 0.000 9.773) 11.968 31.339 ( -11.229 0.000 3.717) 11.828======================= Grid point 129 (44/100) =======================q-point: ( 0.43 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.687 ( 18.859 0.000 6.970) 20.106 2.068 ( -9.579 0.000 -5.662) 11.127 2.397 ( 20.766 0.000 4.976) 21.354 2.553 ( 7.721 0.000 -24.003) 25.214 2.722 ( -6.741 0.000 -30.275) 31.016 2.971 ( -27.434 0.000 2.589) 27.556 3.865 ( 18.398 0.000 -17.602) 25.462 4.011 ( 21.523 0.000 12.218) 24.749 4.328 ( -3.838 0.000 -18.188) 18.588 4.425 ( 3.524 0.000 1.954) 4.030 4.891 ( 0.338 0.000 -12.538) 12.542 4.990 ( -7.075 0.000 3.735) 8.000 5.461 ( 10.866 0.000 -6.940) 12.893 5.522 ( 7.723 0.000 -1.841) 7.939 5.830 ( -5.536 0.000 -4.917) 7.404 5.988 ( -14.833 0.000 2.028) 14.971 6.204 ( -1.055 0.000 -1.719) 2.017 6.263 ( -7.219 0.000 8.533) 11.178 6.925 ( 6.708 0.000 3.344) 7.496 7.042 ( -4.072 0.000 6.341) 7.536 7.424 ( 2.377 0.000 7.984) 8.330 7.512 ( -5.613 0.000 12.162) 13.395 7.705 ( 5.509 0.000 1.731) 5.775 7.843 ( -8.152 0.000 8.338) 11.661 8.047 ( -0.043 0.000 -0.314) 0.317 8.076 ( -2.453 0.000 -0.748) 2.564 8.249 ( 0.752 0.000 -2.368) 2.484 8.255 ( 0.379 0.000 -3.223) 3.245 8.982 ( 5.110 0.000 0.264) 5.117 9.069 ( -3.267 0.000 -3.574) 4.842 12.296 ( 2.352 0.000 1.007) 2.558 12.350 ( -2.751 0.000 0.258) 2.763 13.125 ( 4.222 0.000 4.748) 6.353 13.198 ( -2.518 0.000 4.221) 4.915 16.165 ( 1.843 0.000 -1.126) 2.159 16.209 ( -1.951 0.000 -1.326) 2.359 16.565 ( 0.243 0.000 0.659) 0.702 16.583 ( -1.337 0.000 0.139) 1.344 16.933 ( 0.691 0.000 -1.617) 1.758 16.939 ( 0.106 0.000 -1.785) 1.788 26.789 ( 0.533 0.000 0.265) 0.595 26.802 ( -0.666 0.000 0.229) 0.704 29.317 ( 0.928 0.000 0.818) 1.237 29.357 ( -3.090 0.000 -0.058) 3.090 29.713 ( 9.426 0.000 -6.076) 11.214 29.888 ( -7.062 0.000 -6.737) 9.760 30.888 ( 10.196 0.000 6.981) 12.357 31.109 ( -10.780 0.000 5.276) 12.002======================= Grid point 133 (45/100) =======================q-point: ( 0.00 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.389 ( 0.000 7.858 24.248) 25.490 1.500 ( 0.000 21.254 18.278) 28.032 1.869 ( 0.000 12.504 -22.449) 25.696 2.414 ( 0.000 7.513 27.020) 28.045 2.598 ( 0.000 11.818 3.482) 12.320 2.975 ( 0.000 -8.534 9.571) 12.823 3.180 ( 0.000 11.863 -30.986) 33.179 3.429 ( 0.000 -5.867 -16.467) 17.481 3.978 ( 0.000 -12.649 -11.468) 17.074 4.315 ( 0.000 -9.848 -18.158) 20.657 4.558 ( 0.000 10.580 -8.057) 13.298 5.107 ( 0.000 -8.492 -24.314) 25.754 5.456 ( 0.000 -2.504 -2.852) 3.796 5.679 ( 0.000 -9.305 0.290) 9.310 5.825 ( 0.000 -4.505 5.897) 7.421 5.919 ( 0.000 -2.626 -0.746) 2.730 6.340 ( 0.000 -1.587 1.907) 2.481 6.686 ( 0.000 -7.604 -1.022) 7.672 6.837 ( 0.000 -2.355 -2.990) 3.806 7.238 ( 0.000 -1.505 13.947) 14.028 7.493 ( 0.000 13.405 5.545) 14.507 7.545 ( 0.000 1.802 -6.052) 6.314 7.753 ( 0.000 13.843 0.822) 13.868 7.901 ( 0.000 -3.732 7.052) 7.978 8.020 ( 0.000 -7.936 4.870) 9.311 8.193 ( 0.000 0.446 -0.262) 0.517 8.357 ( 0.000 2.441 -0.303) 2.460 8.612 ( 0.000 -1.226 8.452) 8.541 8.686 ( 0.000 0.842 10.490) 10.524 9.199 ( 0.000 -3.962 -10.958) 11.652 12.248 ( 0.000 2.185 2.921) 3.648 12.510 ( 0.000 2.672 -0.682) 2.758 12.926 ( 0.000 0.254 2.547) 2.560 13.138 ( 0.000 -0.116 -0.885) 0.892 16.187 ( 0.000 -3.866 1.166) 4.038 16.405 ( 0.000 -0.372 -1.903) 1.939 16.461 ( 0.000 0.142 2.934) 2.937 16.658 ( 0.000 1.602 1.206) 2.005 16.882 ( 0.000 -0.269 -0.303) 0.406 16.888 ( 0.000 -0.376 -3.215) 3.237 26.789 ( 0.000 -0.332 0.547) 0.640 26.834 ( 0.000 0.161 0.209) 0.264 29.044 ( 0.000 1.173 4.456) 4.608 29.365 ( 0.000 1.939 2.627) 3.265 29.799 ( 0.000 -1.806 -6.642) 6.883 29.840 ( 0.000 8.215 -2.097) 8.479 30.578 ( 0.000 -2.354 11.723) 11.957 31.622 ( 0.000 -5.311 -5.358) 7.544======================= Grid point 134 (46/100) =======================q-point: ( 0.14 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( 3.328 9.916 24.259) 26.418 1.593 ( 6.219 10.676 25.066) 27.945 2.017 ( 9.417 6.841 -22.381) 25.226 2.533 ( 9.307 10.720 -12.209) 18.724 2.719 ( 17.374 9.087 25.954) 32.527 2.964 ( -1.095 7.197 -16.286) 17.839 3.371 ( 17.478 -2.498 -4.988) 18.346 3.517 ( -0.187 -7.471 -9.369) 11.984 3.887 ( 3.422 -4.447 -13.813) 14.909 4.289 ( -7.448 3.895 -15.916) 17.999 4.597 ( 4.566 -10.052 -6.981) 13.062 5.112 ( 1.666 -0.525 -22.812) 22.879 5.399 ( -4.571 -5.616 -6.860) 9.974 5.738 ( 3.154 -0.750 -0.093) 3.243 5.840 ( 2.517 -1.757 1.353) 3.355 6.005 ( 3.167 -0.278 3.247) 4.545 6.280 ( -2.305 -7.153 0.295) 7.520 6.643 ( -3.449 -8.509 0.304) 9.186 6.816 ( -3.694 -3.718 -1.713) 5.514 7.137 ( -7.472 0.052 13.736) 15.637 7.454 ( -3.709 4.875 -2.121) 6.483 7.532 ( 0.374 4.779 4.007) 6.248 7.819 ( 2.503 8.863 1.304) 9.302 7.897 ( -0.395 -4.585 6.428) 7.905 8.042 ( 2.009 -3.175 5.092) 6.328 8.151 ( -3.567 -1.301 -0.219) 3.804 8.298 ( -2.917 2.227 -0.087) 3.671 8.630 ( -5.350 5.296 10.340) 12.790 8.706 ( 6.478 -0.492 6.102) 8.913 9.141 ( -3.939 -4.517 -10.055) 11.705 12.245 ( -0.021 1.650 2.917) 3.351 12.484 ( -2.261 2.101 -0.279) 3.099 12.958 ( 2.722 0.401 2.578) 3.771 13.174 ( 2.732 -0.696 -0.352) 2.841 16.174 ( -1.307 -2.681 1.226) 3.225 16.292 ( -4.522 1.594 0.497) 4.820 16.539 ( 2.043 -2.346 0.356) 3.132 16.652 ( -0.528 1.805 0.528) 1.954 16.860 ( -0.331 -1.385 -1.569) 2.119 16.931 ( 2.211 0.997 -1.923) 3.095 26.784 ( -0.350 -0.126 0.492) 0.617 26.831 ( -0.295 0.260 0.230) 0.456 29.151 ( 7.860 -1.977 1.788) 8.299 29.365 ( 0.028 1.309 2.245) 2.599 29.670 ( -5.009 4.838 -3.645) 7.860 29.993 ( 7.119 4.683 -6.069) 10.461 30.577 ( 0.475 -3.380 11.747) 12.233 31.516 ( -8.966 -4.201 -2.479) 10.208======================= Grid point 135 (47/100) =======================q-point: ( 0.29 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( 5.300 7.333 25.067) 26.650 1.874 ( 19.439 8.697 15.758) 26.493 2.138 ( 2.923 -5.488 -21.993) 22.855 2.709 ( 1.142 9.206 -16.751) 19.148 2.806 ( -5.147 1.901 -28.751) 29.270 3.252 ( -0.824 -3.088 3.747) 4.925 3.468 ( 27.258 11.057 15.297) 33.155 3.844 ( 11.921 4.275 -6.319) 14.153 4.029 ( 10.152 0.419 -1.298) 10.243 4.274 ( 10.825 -1.187 -19.814) 22.609 4.659 ( 1.538 -13.065 -12.531) 18.169 5.167 ( 1.364 1.150 -14.952) 15.058 5.335 ( -0.134 1.084 -6.977) 7.062 5.677 ( -6.768 8.386 2.401) 11.041 5.876 ( -2.308 -3.620 0.977) 4.403 6.043 ( 2.177 1.382 -4.022) 4.777 6.255 ( -3.694 -10.153 0.908) 10.842 6.553 ( -5.375 -3.022 8.739) 10.696 6.700 ( -3.865 -6.654 -0.062) 7.695 6.995 ( -5.580 -4.304 7.968) 10.637 7.392 ( -1.655 -1.682 -2.332) 3.318 7.553 ( 1.314 3.167 6.984) 7.781 7.772 ( -5.151 1.860 7.263) 9.097 7.881 ( -1.481 -5.312 6.019) 8.163 8.062 ( -3.638 -2.198 1.130) 4.398 8.100 ( 1.085 3.552 2.056) 4.245 8.282 ( 0.759 4.140 -2.105) 4.706 8.476 ( -7.279 8.299 3.715) 11.648 8.845 ( 6.255 -0.995 3.874) 7.424 9.080 ( -1.919 -4.408 -6.030) 7.712 12.255 ( 1.003 0.568 2.387) 2.651 12.427 ( -2.940 1.327 0.272) 3.237 13.025 ( 3.305 -0.360 3.162) 4.588 13.222 ( 1.478 -0.165 1.596) 2.181 16.151 ( -0.206 0.055 0.238) 0.319 16.240 ( -1.327 0.258 -0.639) 1.496 16.547 ( -0.479 -1.866 0.535) 2.000 16.633 ( -1.239 1.267 0.255) 1.791 16.864 ( 0.413 -2.197 -1.691) 2.803 16.970 ( 1.420 1.652 -1.637) 2.725 26.780 ( -0.009 -0.073 0.271) 0.281 26.823 ( -0.378 0.538 0.284) 0.717 29.264 ( 2.066 -3.495 1.560) 4.349 29.363 ( -0.747 -2.256 1.245) 2.683 29.651 ( 3.750 8.247 -4.272) 10.016 30.073 ( -0.258 7.307 -6.775) 9.968 30.640 ( 6.281 -5.459 9.755) 12.822 31.299 ( -11.011 -3.325 1.067) 11.551======================= Grid point 136 (48/100) =======================q-point: ( 0.43 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( 15.734 3.974 7.716) 17.969 2.055 ( -9.465 -1.327 -10.320) 14.066 2.346 ( 18.783 -6.219 -1.251) 19.826 2.575 ( -6.855 -5.787 -17.266) 19.458 2.751 ( 1.809 8.975 -16.797) 19.130 3.013 ( -17.999 8.430 2.920) 20.089 3.992 ( 13.042 9.275 -15.183) 22.060 4.132 ( 19.784 8.385 -0.446) 21.493 4.269 ( 4.246 -2.886 -7.387) 8.995 4.504 ( 3.342 5.588 -9.561) 11.568 4.680 ( 6.311 -11.109 -3.324) 13.202 5.082 ( -12.147 2.717 -1.496) 12.537 5.424 ( 10.422 -3.097 -3.649) 11.468 5.588 ( -1.463 3.410 -5.700) 6.802 5.815 ( -1.676 -1.338 -3.510) 4.113 5.908 ( -12.366 -4.346 1.436) 13.186 6.241 ( 2.565 2.526 1.267) 3.817 6.386 ( -7.606 6.786 8.527) 13.289 6.743 ( 4.990 -13.964 4.050) 15.372 6.893 ( -4.488 -8.757 4.988) 11.032 7.382 ( 0.174 -5.359 1.727) 5.633 7.552 ( -1.591 1.352 4.840) 5.272 7.725 ( 2.206 2.438 6.473) 7.260 7.825 ( -4.106 -0.699 7.170) 8.292 7.999 ( -1.352 -2.812 1.591) 3.502 8.071 ( -2.629 2.256 2.350) 4.187 8.301 ( 0.681 5.094 -3.530) 6.235 8.394 ( -0.986 6.004 -2.905) 6.742 8.955 ( 3.844 -2.364 1.337) 4.707 9.043 ( -1.868 -2.554 -1.650) 3.568 12.284 ( 1.405 -0.338 1.545) 2.116 12.370 ( -2.116 1.121 0.896) 2.556 13.081 ( 1.676 -2.159 3.708) 4.607 13.236 ( 0.084 1.756 3.263) 3.707 16.169 ( 1.611 0.425 -1.172) 2.037 16.211 ( -1.606 0.278 -1.237) 2.047 16.540 ( -0.061 -1.281 0.259) 1.308 16.608 ( -0.853 1.170 0.890) 1.699 16.870 ( 0.147 -2.824 -1.739) 3.320 16.990 ( 0.449 1.749 -1.381) 2.273 26.781 ( 0.088 -0.269 0.115) 0.306 26.817 ( -0.187 0.867 0.347) 0.952 29.277 ( -0.010 -2.491 1.671) 3.000 29.337 ( -1.030 -2.198 1.837) 3.044 29.771 ( 5.542 5.684 -4.850) 9.302 30.008 ( -4.216 9.248 -5.367) 11.493 30.820 ( 9.571 -5.820 5.821) 12.624 31.072 ( -10.156 -3.231 3.120) 11.105======================= Grid point 140 (49/100) =======================q-point: ( 0.00 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( 0.000 9.829 17.198) 19.809 1.664 ( 0.000 0.428 18.645) 18.650 2.194 ( 0.000 15.497 -17.577) 23.433 2.456 ( 0.000 -5.077 -7.723) 9.242 2.691 ( 0.000 -16.300 6.910) 17.704 3.051 ( 0.000 22.422 12.555) 25.698 3.316 ( 0.000 -3.234 -12.438) 12.851 3.676 ( 0.000 24.847 -14.798) 28.920 3.810 ( 0.000 5.734 -4.818) 7.489 4.051 ( 0.000 -14.120 -19.056) 23.717 4.719 ( 0.000 5.419 -1.170) 5.544 4.784 ( 0.000 -20.827 -18.954) 28.161 5.466 ( 0.000 4.653 -4.520) 6.487 5.562 ( 0.000 -1.473 -3.679) 3.963 5.773 ( 0.000 -0.145 1.068) 1.078 5.822 ( 0.000 -5.189 -0.219) 5.194 6.328 ( 0.000 0.060 0.351) 0.356 6.535 ( 0.000 -6.185 -0.835) 6.241 6.733 ( 0.000 -6.309 -2.450) 6.768 7.176 ( 0.000 -4.842 1.609) 5.102 7.498 ( 0.000 -5.810 1.616) 6.031 7.806 ( 0.000 -9.428 3.971) 10.230 7.817 ( 0.000 15.467 5.133) 16.296 7.961 ( 0.000 5.754 6.421) 8.622 8.037 ( 0.000 11.577 0.217) 11.579 8.178 ( 0.000 -1.691 1.369) 2.176 8.377 ( 0.000 -0.915 1.455) 1.719 8.586 ( 0.000 -1.000 8.634) 8.692 8.702 ( 0.000 0.505 10.170) 10.182 9.015 ( 0.000 -12.155 -12.497) 17.433 12.318 ( 0.000 4.101 3.433) 5.348 12.549 ( 0.000 0.750 1.617) 1.782 12.934 ( 0.000 0.484 2.382) 2.430 13.134 ( 0.000 -0.283 -0.717) 0.771 16.144 ( 0.000 -0.007 0.310) 0.311 16.392 ( 0.000 -0.808 -1.709) 1.891 16.464 ( 0.000 0.144 2.848) 2.852 16.684 ( 0.000 0.994 1.062) 1.455 16.878 ( 0.000 -0.186 -0.622) 0.650 16.878 ( 0.000 -0.517 -3.236) 3.277 26.786 ( 0.000 -0.003 0.372) 0.372 26.839 ( 0.000 0.344 0.077) 0.352 29.078 ( 0.000 1.867 3.904) 4.328 29.437 ( 0.000 4.281 3.079) 5.273 29.749 ( 0.000 -2.746 -5.907) 6.514 29.996 ( 0.000 5.751 2.207) 6.160 30.518 ( 0.000 -3.033 12.942) 13.293 31.519 ( 0.000 -3.860 -8.883) 9.685======================= Grid point 141 (50/100) =======================q-point: ( 0.14 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.645 ( 1.408 5.236 16.793) 17.646 1.698 ( 7.074 6.609 10.931) 14.602 2.252 ( -1.374 9.904 -12.305) 15.855 2.561 ( 10.322 -4.977 -9.728) 15.031 2.800 ( 13.023 -4.698 7.164) 15.588 3.208 ( 5.802 10.694 -2.534) 12.428 3.299 ( 5.067 -2.239 -5.411) 7.744 3.655 ( -0.065 12.742 -5.652) 13.939 3.937 ( 16.593 16.584 -9.283) 25.230 4.129 ( 1.048 -13.450 -15.399) 20.472 4.572 ( -5.029 3.931 -4.105) 7.589 4.942 ( 7.387 -13.971 -16.475) 22.829 5.390 ( -2.398 4.046 -7.457) 8.816 5.671 ( 3.169 -3.445 -0.708) 4.734 5.801 ( 6.488 -1.168 1.945) 6.873 5.952 ( 9.207 -3.283 -1.116) 9.838 6.208 ( -10.469 -0.278 -0.367) 10.479 6.457 ( -6.578 -7.682 -0.316) 10.119 6.703 ( -3.407 -6.294 -1.847) 7.391 7.128 ( -4.488 -2.394 3.177) 5.998 7.477 ( -2.623 -2.893 1.116) 4.062 7.688 ( -4.856 3.968 3.585) 7.224 7.833 ( -4.088 3.907 6.328) 8.487 7.909 ( -1.703 0.575 5.209) 5.511 8.090 ( -3.872 0.958 3.770) 5.488 8.160 ( 4.601 6.442 0.397) 7.927 8.335 ( -1.234 0.756 0.229) 1.466 8.677 ( 3.803 -1.953 6.326) 7.635 8.708 ( 0.747 1.589 7.505) 7.708 8.964 ( -3.188 -11.141 -9.005) 14.676 12.304 ( -1.031 3.665 3.479) 5.157 12.514 ( -2.907 0.577 1.793) 3.464 12.970 ( 2.836 0.673 1.863) 3.459 13.157 ( 2.077 -0.830 -0.291) 2.256 16.148 ( 0.391 0.318 0.353) 0.615 16.319 ( -4.198 1.075 -0.126) 4.335 16.496 ( 1.099 -1.866 1.092) 2.426 16.679 ( -0.834 0.798 0.974) 1.510 16.842 ( -0.728 -0.230 -2.343) 2.464 16.940 ( 2.869 -0.187 -1.556) 3.269 26.783 ( -0.155 0.100 0.324) 0.373 26.837 ( -0.154 0.369 0.137) 0.423 29.128 ( 3.931 -0.125 3.791) 5.462 29.403 ( -2.901 1.701 3.116) 4.585 29.754 ( 1.350 3.387 -3.788) 5.258 30.100 ( 8.337 4.150 -1.170) 9.386 30.492 ( -2.092 -3.969 12.721) 13.489 31.431 ( -7.806 -3.319 -7.658) 11.428======================= Grid point 142 (51/100) =======================q-point: ( 0.29 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( 4.719 7.898 9.500) 13.225 1.889 ( 9.983 1.193 -2.917) 10.468 2.180 ( -2.194 4.498 -3.423) 6.063 2.697 ( -1.805 -0.800 -7.297) 7.560 2.907 ( -2.756 3.858 -8.080) 9.368 3.355 ( 2.963 7.119 -4.046) 8.709 3.578 ( 24.767 -11.192 0.522) 27.183 3.913 ( 20.060 10.548 3.851) 22.989 4.090 ( 0.782 -0.361 -13.254) 13.282 4.342 ( 17.803 13.766 -7.036) 23.579 4.552 ( 3.077 2.516 -12.431) 13.050 5.059 ( 3.838 -9.812 -12.034) 15.994 5.380 ( -0.631 0.523 -9.772) 9.806 5.676 ( -1.441 -5.015 1.926) 5.562 5.900 ( -8.149 1.537 0.861) 8.337 6.004 ( -1.009 -3.756 2.591) 4.673 6.117 ( 4.232 1.009 -4.354) 6.155 6.347 ( 0.229 -11.989 3.752) 12.564 6.595 ( -5.818 -3.978 -1.498) 7.205 7.000 ( -7.357 1.826 6.439) 9.946 7.382 ( -5.568 0.335 -3.165) 6.414 7.625 ( -4.336 0.978 5.792) 7.301 7.722 ( -1.755 1.069 4.528) 4.973 7.879 ( -1.446 -0.012 6.779) 6.931 7.985 ( -4.332 -2.562 2.837) 5.777 8.243 ( 0.835 6.573 2.344) 7.029 8.352 ( 2.108 2.288 -2.198) 3.810 8.559 ( -9.030 -1.078 -1.212) 9.174 8.815 ( 5.131 -1.650 5.281) 7.545 8.947 ( 0.942 -7.018 -0.110) 7.082 12.288 ( -0.290 2.438 3.138) 3.984 12.445 ( -3.397 0.279 1.920) 3.912 13.028 ( 2.353 0.733 1.437) 2.853 13.209 ( 2.470 -1.124 0.665) 2.794 16.161 ( 0.845 0.938 0.188) 1.276 16.256 ( -1.855 1.290 -0.774) 2.388 16.507 ( 0.311 -1.928 0.754) 2.093 16.650 ( -1.689 0.179 0.815) 1.884 16.836 ( -0.168 -0.235 -2.011) 2.032 16.987 ( 1.508 -0.137 -1.231) 1.951 26.782 ( -0.005 0.257 0.187) 0.318 26.834 ( -0.177 0.399 0.263) 0.510 29.201 ( 2.512 -2.023 4.200) 5.295 29.336 ( -3.013 -0.777 3.804) 4.915 29.819 ( 4.611 7.509 -2.005) 9.037 30.249 ( 2.387 8.252 -3.253) 9.185 30.488 ( 4.720 -8.403 9.393) 13.458 31.225 ( -11.111 -3.081 -5.335) 12.705======================= Grid point 143 (52/100) =======================q-point: ( 0.43 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( 7.354 3.975 -0.169) 8.362 1.967 ( -3.036 -4.761 -15.897) 16.870 2.278 ( 10.075 4.042 0.683) 10.877 2.505 ( -11.760 3.416 -5.202) 13.305 2.962 ( 7.729 7.082 -1.875) 10.650 3.214 ( -12.441 6.870 2.543) 14.438 4.046 ( 12.403 -10.508 -4.433) 16.850 4.199 ( 6.600 2.705 -15.580) 17.135 4.346 ( 17.134 5.669 -6.051) 19.034 4.530 ( 4.285 2.720 -4.604) 6.852 4.734 ( 8.013 12.976 -13.636) 20.458 5.076 ( -7.024 -4.044 1.168) 8.189 5.332 ( 3.699 -4.089 -6.968) 8.886 5.571 ( -8.560 -6.296 -4.019) 11.361 5.797 ( -1.844 0.109 -0.040) 1.847 5.848 ( -6.529 -1.232 -0.434) 6.658 6.227 ( 2.910 -3.566 4.792) 6.644 6.405 ( 1.232 -5.837 1.696) 6.202 6.554 ( 3.110 1.928 2.700) 4.548 6.842 ( -6.535 2.213 7.587) 10.255 7.285 ( -2.840 -1.655 -4.859) 5.866 7.513 ( -3.559 -3.536 -0.227) 5.022 7.778 ( 3.341 1.248 5.581) 6.623 7.857 ( -0.162 2.521 6.583) 7.051 7.941 ( 1.010 -2.407 3.713) 4.539 8.136 ( -9.005 2.074 4.788) 10.407 8.389 ( 0.987 2.842 -3.645) 4.726 8.452 ( -1.032 -0.488 -4.174) 4.328 8.896 ( 2.281 -2.744 4.417) 5.678 8.963 ( 0.260 -4.537 2.819) 5.347 12.294 ( 0.639 1.275 2.408) 2.799 12.384 ( -2.029 0.234 2.196) 2.999 13.062 ( 0.848 0.413 1.390) 1.680 13.247 ( 1.032 -0.690 1.417) 1.884 16.186 ( 1.448 1.146 -0.791) 2.009 16.225 ( -1.358 1.140 -1.017) 2.044 16.517 ( 0.513 -0.979 0.272) 1.138 16.617 ( -1.100 -0.507 1.504) 1.931 16.832 ( -0.160 -0.449 -1.842) 1.903 17.005 ( 0.367 -0.331 -0.874) 1.004 26.782 ( 0.049 0.380 0.056) 0.387 26.831 ( -0.082 0.384 0.381) 0.547 29.234 ( 0.791 -1.487 4.462) 4.769 29.288 ( -1.421 -1.965 4.697) 5.286 29.920 ( 3.941 7.430 -0.719) 8.442 30.204 ( -3.410 7.646 1.244) 8.464 30.679 ( 10.201 -6.199 -0.168) 11.938 30.991 ( -10.278 -3.886 -2.591) 11.289======================= Grid point 147 (53/100) =======================q-point: ( 0.00 0.38 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.665 ( 0.000 -0.157 -8.494) 8.496 1.758 ( 0.000 5.382 13.651) 14.674 2.146 ( 0.000 -16.853 10.040) 19.616 2.322 ( 0.000 -5.495 5.997) 8.134 2.714 ( 0.000 17.605 -20.634) 27.124 3.302 ( 0.000 -0.086 -13.969) 13.969 3.337 ( 0.000 8.104 3.638) 8.883 3.703 ( 0.000 -4.956 -0.552) 4.987 3.757 ( 0.000 -11.402 -16.352) 19.935 4.320 ( 0.000 -20.656 -11.548) 23.665 4.485 ( 0.000 30.901 3.383) 31.086 4.866 ( 0.000 8.797 -6.417) 10.889 5.579 ( 0.000 2.316 -6.808) 7.191 5.625 ( 0.000 8.823 -2.248) 9.105 5.722 ( 0.000 -4.136 -1.622) 4.442 5.828 ( 0.000 5.414 2.058) 5.792 6.331 ( 0.000 0.186 0.400) 0.441 6.430 ( 0.000 -3.608 -1.093) 3.770 6.618 ( 0.000 -3.813 -10.244) 10.931 6.946 ( 0.000 -17.472 -3.809) 17.883 7.408 ( 0.000 0.332 8.681) 8.688 7.648 ( 0.000 -5.696 4.107) 7.023 8.052 ( 0.000 -2.367 2.598) 3.515 8.101 ( 0.000 10.451 3.684) 11.082 8.132 ( 0.000 1.080 3.166) 3.345 8.216 ( 0.000 4.989 1.116) 5.113 8.311 ( 0.000 -4.564 -0.713) 4.619 8.575 ( 0.000 0.054 7.637) 7.637 8.703 ( 0.000 -0.385 10.940) 10.947 8.785 ( 0.000 -7.255 -11.459) 13.562 12.407 ( 0.000 3.984 4.060) 5.688 12.543 ( 0.000 -1.170 3.927) 4.097 12.945 ( 0.000 0.460 2.145) 2.194 13.127 ( 0.000 -0.314 -0.488) 0.580 16.170 ( 0.000 1.870 0.317) 1.896 16.369 ( 0.000 -1.296 -1.402) 1.909 16.467 ( 0.000 0.064 2.783) 2.784 16.707 ( 0.000 1.105 1.685) 2.014 16.868 ( 0.000 -0.357 -3.262) 3.282 16.871 ( 0.000 -0.499 -2.370) 2.422 26.787 ( 0.000 0.065 0.358) 0.364 26.847 ( 0.000 0.331 -0.167) 0.371 29.116 ( 0.000 1.538 3.278) 3.621 29.522 ( 0.000 3.209 3.301) 4.604 29.694 ( 0.000 -2.148 -5.104) 5.537 30.080 ( 0.000 2.316 4.639) 5.185 30.463 ( 0.000 -1.902 15.307) 15.425 31.463 ( 0.000 -1.536 -12.372) 12.467======================= Grid point 148 (54/100) =======================q-point: ( 0.14 0.38 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( -1.090 -2.482 -15.697) 15.929 1.919 ( 11.967 8.535 12.999) 19.623 2.249 ( 0.075 -5.469 6.570) 8.549 2.433 ( 18.158 -9.232 8.340) 22.011 2.838 ( 8.482 10.977 -13.583) 19.415 3.261 ( -5.057 1.010 -9.218) 10.562 3.395 ( 4.550 6.270 -4.530) 8.974 3.751 ( 9.959 -1.612 -2.178) 10.321 3.824 ( 5.520 -10.908 -12.458) 17.455 4.321 ( 0.248 -11.563 0.762) 11.591 4.625 ( 11.011 18.963 -5.988) 22.731 4.892 ( 2.889 9.630 -12.564) 16.091 5.466 ( -7.354 2.217 -2.988) 8.241 5.660 ( 2.774 2.591 -2.650) 4.630 5.819 ( 1.318 2.621 0.993) 3.097 5.911 ( 11.550 -0.557 -1.165) 11.622 6.213 ( -9.420 0.717 1.126) 9.514 6.341 ( -7.717 -3.040 -1.491) 8.427 6.592 ( -2.536 -3.351 -9.839) 10.699 6.953 ( 0.263 -14.937 -4.170) 15.510 7.420 ( 0.676 0.950 9.067) 9.142 7.655 ( 0.241 -4.210 4.642) 6.271 7.931 ( -9.444 3.077 3.624) 10.573 8.001 ( -5.739 2.565 4.017) 7.460 8.124 ( -3.965 5.917 2.253) 7.471 8.273 ( 1.569 -0.537 1.542) 2.265 8.311 ( 3.038 -1.364 -1.682) 3.731 8.586 ( -1.801 -5.065 1.100) 5.487 8.726 ( 1.506 0.263 5.272) 5.489 8.783 ( 1.771 -4.132 0.502) 4.524 12.386 ( -1.811 3.643 3.958) 5.676 12.509 ( -2.897 -0.976 3.717) 4.812 12.983 ( 3.172 0.508 1.648) 3.610 13.142 ( 1.361 -0.569 -0.509) 1.561 16.174 ( 0.372 1.649 0.660) 1.814 16.337 ( -2.498 0.553 -0.824) 2.688 16.459 ( -0.307 -1.502 1.750) 2.326 16.690 ( -1.703 0.313 1.275) 2.150 16.852 ( 0.099 1.112 -2.877) 3.086 16.924 ( 2.694 -1.280 -1.963) 3.570 26.786 ( -0.003 0.126 0.370) 0.390 26.845 ( -0.198 0.295 -0.098) 0.368 29.137 ( 1.719 0.625 4.023) 4.419 29.425 ( -5.671 0.438 4.048) 6.981 29.825 ( 8.252 3.216 -3.741) 9.614 30.137 ( 5.770 -0.615 3.145) 6.600 30.436 ( -2.376 -1.045 14.031) 14.269 31.382 ( -7.342 -1.343 -12.074) 14.194======================= Grid point 149 (55/100) =======================q-point: ( 0.29 0.38 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( 5.086 -4.158 -24.392) 25.261 2.085 ( -0.142 8.492 -1.900) 8.703 2.299 ( 8.382 8.507 12.498) 17.287 2.774 ( 6.364 4.370 1.082) 7.795 2.967 ( 1.305 1.901 1.769) 2.907 3.239 ( 11.220 -13.997 -2.430) 18.103 3.479 ( 1.132 5.790 0.627) 5.933 3.963 ( 12.425 -1.469 -9.301) 15.590 4.139 ( 17.783 -0.661 -8.881) 19.888 4.369 ( 6.552 -14.977 2.369) 16.519 4.837 ( 7.550 16.512 -4.741) 18.765 4.993 ( 6.192 9.610 -21.666) 24.498 5.324 ( -6.434 -4.185 -5.281) 9.317 5.606 ( -6.047 -0.833 -2.812) 6.721 5.890 ( -1.675 -0.997 1.936) 2.747 5.977 ( -5.415 -3.727 3.415) 7.408 6.172 ( -3.446 2.767 -4.602) 6.380 6.230 ( 12.376 4.888 2.131) 13.475 6.523 ( -2.983 -2.037 -8.147) 8.912 6.955 ( 0.043 -8.514 -2.176) 8.788 7.388 ( -5.097 2.290 7.021) 8.973 7.626 ( -5.106 -0.802 6.120) 8.010 7.745 ( -4.776 -0.846 4.221) 6.430 7.902 ( -2.642 2.653 2.658) 4.591 7.997 ( -6.489 3.354 2.809) 7.826 8.287 ( -2.149 -3.803 -0.003) 4.369 8.381 ( 2.570 -1.226 -1.515) 3.225 8.464 ( -6.373 -2.693 -4.649) 8.336 8.789 ( 3.680 -0.672 6.392) 7.406 8.842 ( 2.759 -2.646 6.656) 7.676 12.346 ( -1.573 2.722 3.544) 4.737 12.440 ( -3.322 -0.690 3.243) 4.693 13.052 ( 2.847 1.285 0.571) 3.176 13.179 ( 1.976 -1.488 -0.398) 2.506 16.186 ( 0.817 1.189 1.009) 1.760 16.291 ( -1.743 1.795 -1.012) 2.699 16.464 ( 0.972 -1.970 1.146) 2.477 16.643 ( -2.549 -0.586 0.593) 2.681 16.856 ( 0.060 1.915 -1.835) 2.653 16.966 ( 1.184 -1.707 -1.349) 2.477 26.789 ( 0.260 0.346 0.324) 0.541 26.839 ( -0.352 0.114 0.080) 0.378 29.176 ( 1.819 -0.575 5.606) 5.922 29.325 ( -3.859 -0.328 6.263) 7.363 29.970 ( 5.514 6.890 1.234) 8.911 30.301 ( 5.369 -8.544 6.343) 11.919 30.396 ( 2.644 4.896 2.395) 6.058 31.179 ( -11.489 -1.297 -11.392) 16.232======================= Grid point 150 (56/100) =======================q-point: ( 0.43 0.38 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( 7.851 -1.433 -25.296) 26.525 1.986 ( -6.990 3.334 -15.747) 17.549 2.514 ( 9.838 13.999 10.397) 20.021 2.709 ( -7.550 13.247 4.448) 15.883 3.034 ( 5.697 1.743 5.045) 7.807 3.284 ( -7.296 1.548 5.661) 9.364 3.715 ( 15.803 -17.115 4.856) 23.796 4.120 ( -0.221 -13.472 -1.172) 13.525 4.423 ( 11.319 2.640 -11.801) 16.564 4.579 ( 5.201 -0.694 -6.799) 8.588 4.968 ( 5.333 1.467 -4.092) 6.880 5.076 ( 1.257 13.076 -17.109) 21.571 5.234 ( 0.500 -6.955 -9.494) 11.780 5.453 ( -8.630 -2.576 -11.591) 14.679 5.775 ( -5.714 -0.854 5.099) 7.706 5.845 ( -3.274 -0.640 1.744) 3.764 6.230 ( 4.061 4.874 -3.495) 7.243 6.359 ( -1.617 0.915 -6.341) 6.607 6.643 ( 14.640 5.539 4.946) 16.415 6.913 ( -6.890 4.277 6.488) 10.385 7.269 ( -1.659 -2.719 -1.785) 3.651 7.428 ( -10.043 -4.227 2.972) 11.294 7.780 ( 4.644 -0.875 6.516) 8.050 7.871 ( -3.883 -0.070 5.915) 7.076 7.929 ( 4.117 0.923 0.005) 4.219 8.112 ( -11.350 -4.156 -0.028) 12.088 8.415 ( 1.092 -1.611 -2.258) 2.981 8.426 ( 0.119 0.844 -2.326) 2.477 8.851 ( 1.838 -1.432 6.706) 7.100 8.879 ( 0.696 -2.783 6.617) 7.212 12.329 ( -0.116 1.761 2.963) 3.449 12.383 ( -1.821 -0.358 2.994) 3.522 13.092 ( 0.989 2.206 -0.289) 2.435 13.213 ( 0.972 -2.368 -0.180) 2.566 16.213 ( 1.701 1.194 0.124) 2.082 16.255 ( -1.781 1.468 -0.695) 2.411 16.499 ( 1.881 -0.662 0.612) 2.086 16.589 ( -2.252 -1.741 1.201) 3.089 16.854 ( -0.089 2.330 -1.575) 2.814 16.977 ( 0.106 -2.198 -0.744) 2.323 26.795 ( 0.270 0.758 0.163) 0.821 26.832 ( -0.265 -0.268 0.311) 0.489 29.212 ( 1.678 -0.632 6.959) 7.186 29.260 ( -2.384 -0.706 7.436) 7.840 30.063 ( 3.081 5.951 5.142) 8.447 30.268 ( -2.754 -1.943 12.108) 12.568 30.615 ( 12.129 0.445 -10.471) 16.030 30.925 ( -11.882 -2.105 -9.800) 15.546======================= Grid point 154 (57/100) =======================q-point: ( 0.00 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( 0.000 0.000 -25.776) 25.776 1.824 ( 0.000 0.000 13.014) 13.014 1.918 ( 0.000 0.000 12.162) 12.162 2.262 ( 0.000 0.000 17.525) 17.525 3.045 ( 0.000 0.000 -23.339) 23.339 3.183 ( 0.000 0.000 -20.803) 20.803 3.526 ( 0.000 0.004 11.033) 11.033 3.526 ( 0.000 -0.004 -4.993) 4.993 3.679 ( 0.000 0.000 -11.983) 11.983 4.042 ( 0.000 0.000 -5.590) 5.590 4.833 ( 0.000 0.000 16.216) 16.216 4.986 ( 0.000 0.000 -22.228) 22.228 5.633 ( 0.000 0.000 -11.667) 11.667 5.651 ( 0.000 -0.000 1.601) 1.601 5.775 ( 0.000 0.000 2.383) 2.383 5.916 ( 0.000 0.000 3.175) 3.175 6.335 ( 0.000 -0.000 1.138) 1.138 6.389 ( 0.000 0.000 -1.685) 1.685 6.589 ( 0.000 0.000 -14.301) 14.301 6.653 ( 0.000 0.000 -2.902) 2.902 7.506 ( 0.000 -0.000 8.483) 8.483 7.517 ( 0.000 0.000 7.647) 7.647 7.954 ( 0.000 0.000 -3.625) 3.625 8.206 ( 0.000 -0.000 -5.668) 5.668 8.229 ( 0.000 0.000 7.190) 7.190 8.236 ( 0.000 -0.000 0.392) 0.392 8.247 ( 0.000 0.000 4.421) 4.421 8.581 ( 0.000 0.000 5.961) 5.961 8.695 ( 0.000 0.000 12.337) 12.337 8.717 ( 0.000 0.000 -9.636) 9.636 12.464 ( 0.000 -0.000 3.943) 3.943 12.517 ( 0.000 0.000 5.167) 5.167 12.950 ( 0.000 0.000 2.018) 2.018 13.123 ( 0.000 0.000 -0.367) 0.367 16.196 ( 0.000 -0.000 0.958) 0.958 16.351 ( 0.000 0.000 -1.623) 1.623 16.467 ( 0.000 0.000 2.761) 2.761 16.722 ( 0.000 0.000 2.567) 2.567 16.863 ( 0.000 0.000 -3.770) 3.770 16.864 ( 0.000 0.000 -3.275) 3.275 26.787 ( 0.000 0.000 0.387) 0.387 26.851 ( 0.000 0.000 -0.272) 0.272 29.134 ( 0.000 0.000 2.987) 2.987 29.558 ( 0.000 0.000 3.360) 3.360 29.669 ( 0.000 0.000 -4.742) 4.742 30.103 ( 0.000 0.000 4.747) 4.747 30.442 ( 0.000 0.000 16.813) 16.813 31.448 ( 0.000 0.000 -13.559) 13.559======================= Grid point 156 (58/100) =======================q-point: ( 0.14 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.587 ( -2.577 0.000 -26.916) 27.039 2.010 ( 14.812 0.000 12.190) 19.183 2.208 ( 22.822 -0.000 9.595) 24.757 2.286 ( 2.066 0.000 12.980) 13.143 3.021 ( -1.622 0.000 -14.661) 14.750 3.254 ( -3.362 0.000 -12.131) 12.588 3.536 ( 10.702 -0.000 -11.756) 15.898 3.652 ( 9.211 0.000 -1.566) 9.344 3.729 ( 7.121 0.000 -3.255) 7.830 4.072 ( 0.748 0.000 2.855) 2.952 4.888 ( 5.656 0.000 3.860) 6.848 5.031 ( 4.062 0.000 -22.998) 23.354 5.499 ( -9.406 0.000 0.789) 9.439 5.702 ( 3.602 0.000 -6.690) 7.598 5.867 ( -2.644 0.000 2.050) 3.345 5.913 ( 5.768 0.000 3.189) 6.591 6.269 ( -2.754 -0.000 0.608) 2.821 6.294 ( -6.821 0.000 -0.922) 6.883 6.574 ( -1.614 0.000 -13.564) 13.660 6.684 ( 1.889 0.000 -3.618) 4.082 7.529 ( 1.244 -0.000 8.661) 8.750 7.530 ( 1.109 0.000 8.373) 8.446 7.915 ( -4.461 0.000 -0.818) 4.535 8.091 ( -8.488 -0.000 -6.093) 10.448 8.141 ( -5.482 0.000 7.148) 9.009 8.271 ( 2.749 -0.000 -0.238) 2.760 8.285 ( 0.216 0.000 3.292) 3.299 8.542 ( -3.667 0.000 -1.698) 4.042 8.730 ( 1.661 0.000 -0.932) 1.905 8.744 ( 3.733 -0.000 10.822) 11.448 12.437 ( -2.323 0.000 3.839) 4.487 12.487 ( -2.558 -0.000 4.729) 5.376 12.989 ( 3.343 0.000 1.655) 3.730 13.135 ( 1.049 0.000 -0.648) 1.233 16.196 ( 0.003 0.000 1.339) 1.339 16.342 ( -0.844 0.000 -1.557) 1.771 16.441 ( -1.506 0.000 2.192) 2.659 16.693 ( -2.354 0.000 1.291) 2.685 16.877 ( 0.917 -0.000 -1.932) 2.139 16.897 ( 2.361 0.000 -3.287) 4.047 26.788 ( 0.069 0.000 0.428) 0.433 26.848 ( -0.255 0.000 -0.213) 0.332 29.145 ( 0.960 0.000 3.860) 3.977 29.428 ( -6.380 0.000 4.503) 7.809 29.867 ( 12.292 0.000 -4.401) 13.056 30.117 ( 1.270 0.000 5.489) 5.634 30.431 ( -0.737 0.000 14.399) 14.418 31.369 ( -7.211 0.000 -13.573) 15.370======================= Grid point 158 (59/100) =======================q-point: ( 0.29 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 5.840 0.000 -31.036) 31.581 2.190 ( -2.275 -0.000 -9.546) 9.814 2.436 ( 13.867 0.000 17.805) 22.568 2.741 ( 25.064 0.000 8.492) 26.463 3.027 ( 3.145 -0.000 1.607) 3.532 3.078 ( -8.796 0.000 -1.005) 8.854 3.746 ( 2.226 -0.000 -6.749) 7.107 3.765 ( 0.120 0.000 0.578) 0.591 4.088 ( 22.422 0.000 0.310) 22.424 4.163 ( 13.846 -0.000 -5.445) 14.878 5.041 ( 7.265 -0.000 -9.512) 11.969 5.122 ( 2.066 0.000 -18.998) 19.110 5.299 ( -7.649 0.000 -8.040) 11.097 5.602 ( -10.559 0.000 -4.078) 11.319 5.889 ( -0.970 0.000 2.214) 2.417 5.889 ( -5.511 -0.000 4.781) 7.296 6.225 ( 2.892 -0.000 -2.938) 4.123 6.352 ( 6.684 0.000 -3.246) 7.431 6.552 ( 2.544 0.000 -7.769) 8.175 6.735 ( 4.421 0.000 -1.297) 4.607 7.510 ( -4.127 0.000 8.922) 9.830 7.527 ( -5.078 0.000 9.452) 10.730 7.744 ( -7.260 0.000 1.347) 7.384 7.968 ( -2.856 -0.000 -5.369) 6.082 8.008 ( -6.843 0.000 6.950) 9.754 8.216 ( -6.985 0.000 -1.643) 7.176 8.337 ( 3.258 -0.000 -0.625) 3.318 8.468 ( -2.333 0.000 -2.997) 3.798 8.783 ( 2.911 0.000 5.658) 6.363 8.817 ( 2.755 -0.000 9.001) 9.413 12.384 ( -2.266 0.000 3.483) 4.155 12.425 ( -3.010 -0.000 3.877) 4.909 13.069 ( 3.855 -0.000 0.661) 3.911 13.159 ( 0.961 0.000 -1.129) 1.482 16.200 ( 0.589 0.000 1.578) 1.684 16.316 ( -1.649 -0.000 -1.264) 2.077 16.438 ( 1.403 0.000 1.467) 2.029 16.635 ( -3.045 0.000 0.268) 3.057 16.893 ( 0.596 -0.000 -0.663) 0.891 16.932 ( 0.681 0.000 -2.436) 2.530 26.793 ( 0.476 0.000 0.455) 0.658 26.840 ( -0.554 0.000 -0.058) 0.557 29.170 ( 1.438 0.000 5.907) 6.080 29.321 ( -3.972 0.000 7.413) 8.410 30.101 ( 8.294 -0.000 1.610) 8.449 30.149 ( 1.582 0.000 7.557) 7.721 30.450 ( 4.205 0.000 3.069) 5.206 31.166 ( -11.617 0.000 -13.713) 17.972======================= Grid point 160 (60/100) =======================q-point: ( 0.43 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( 10.946 0.000 -30.642) 32.538 2.039 ( -10.308 -0.000 -24.592) 26.665 2.698 ( 9.976 0.000 13.949) 17.149 2.871 ( -7.321 -0.000 7.395) 10.405 3.154 ( 7.877 0.000 12.787) 15.018 3.194 ( 9.996 0.000 8.589) 13.179 3.662 ( -2.687 -0.000 9.803) 10.165 3.734 ( -4.176 0.000 -1.248) 4.359 4.496 ( 12.903 0.000 -12.895) 18.242 4.524 ( 14.249 -0.000 -2.689) 14.501 5.021 ( -3.969 -0.000 -6.253) 7.406 5.109 ( -3.609 0.000 -6.565) 7.492 5.300 ( 2.962 -0.000 -25.077) 25.252 5.376 ( -7.652 0.000 -15.310) 17.116 5.796 ( -2.292 -0.000 4.570) 5.113 5.812 ( -3.530 0.000 2.663) 4.422 6.318 ( 3.231 0.000 -7.269) 7.955 6.369 ( -2.194 -0.000 -9.610) 9.858 6.784 ( 15.668 -0.000 3.264) 16.004 6.914 ( 10.048 0.000 5.495) 11.452 7.257 ( -13.734 0.000 4.252) 14.377 7.329 ( -12.478 0.000 7.310) 14.462 7.765 ( 5.439 0.000 7.079) 8.927 7.880 ( -5.229 -0.000 7.347) 9.018 7.946 ( 1.033 0.000 -4.298) 4.420 8.042 ( -7.937 0.000 -3.849) 8.821 8.397 ( 2.338 -0.000 -0.784) 2.466 8.435 ( -1.391 0.000 -1.139) 1.797 8.835 ( 1.818 0.000 7.138) 7.365 8.851 ( 0.425 -0.000 7.841) 7.852 12.356 ( -0.308 0.000 3.126) 3.141 12.372 ( -1.819 -0.000 3.230) 3.707 13.137 ( 2.401 -0.000 -0.466) 2.445 13.166 ( -0.416 0.000 -1.157) 1.230 16.227 ( 1.952 0.000 0.650) 2.058 16.274 ( -2.269 0.000 -0.542) 2.332 16.491 ( 3.369 0.000 1.117) 3.550 16.566 ( -3.545 0.000 0.535) 3.585 16.907 ( 0.838 -0.000 -0.661) 1.067 16.927 ( -0.866 0.000 -1.471) 1.707 26.807 ( 0.838 0.000 0.353) 0.910 26.825 ( -0.825 0.000 0.151) 0.838 29.205 ( 1.938 0.000 7.902) 8.136 29.253 ( -2.690 0.000 8.641) 9.050 30.176 ( 0.939 0.000 10.146) 10.189 30.183 ( 0.723 -0.000 10.847) 10.871 30.634 ( 12.026 0.000 -10.789) 16.156 30.903 ( -13.065 0.000 -13.590) 18.852======================= Grid point 189 (61/100) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.268 ( 0.000 0.000 -14.993) 14.993 1.388 ( 0.000 0.000 2.841) 2.841 1.820 ( 0.000 0.000 18.872) 18.872 1.958 ( 0.000 0.000 -23.430) 23.430 2.489 ( 0.000 0.000 -13.280) 13.280 3.031 ( 0.000 0.000 -24.469) 24.469 3.198 ( 0.000 0.000 2.129) 2.129 3.472 ( 0.000 0.000 39.163) 39.163 3.689 ( 0.000 0.000 -26.015) 26.015 4.156 ( 0.000 0.000 -7.807) 7.807 4.331 ( 0.000 0.000 1.984) 1.984 4.732 ( 0.000 0.000 -19.403) 19.403 5.529 ( 0.000 0.000 5.957) 5.957 5.815 ( 0.000 0.000 -0.953) 0.953 5.887 ( 0.000 0.000 -1.523) 1.523 6.017 ( 0.000 0.000 -0.186) 0.186 6.452 ( 0.000 0.000 4.293) 4.293 6.670 ( 0.000 0.000 -6.444) 6.444 6.737 ( 0.000 0.000 -3.729) 3.729 7.218 ( 0.000 0.000 -14.461) 14.461 7.430 ( 0.000 0.000 4.413) 4.413 7.585 ( 0.000 0.000 -0.310) 0.310 7.729 ( 0.000 0.000 17.351) 17.351 8.063 ( 0.000 0.000 -2.085) 2.085 8.084 ( 0.000 0.000 0.550) 0.550 8.261 ( 0.000 0.000 5.627) 5.627 8.339 ( 0.000 0.000 5.119) 5.119 8.794 ( 0.000 0.000 7.946) 7.946 8.872 ( 0.000 0.000 7.469) 7.469 9.023 ( 0.000 0.000 -11.395) 11.395 12.287 ( 0.000 0.000 3.129) 3.129 12.445 ( 0.000 0.000 -1.622) 1.622 12.980 ( 0.000 0.000 2.822) 2.822 13.115 ( 0.000 0.000 -1.444) 1.444 16.266 ( 0.000 0.000 1.042) 1.042 16.371 ( 0.000 0.000 -1.953) 1.953 16.532 ( 0.000 0.000 4.098) 4.098 16.680 ( 0.000 0.000 2.877) 2.877 16.815 ( 0.000 0.000 -4.287) 4.287 16.858 ( 0.000 0.000 -1.912) 1.912 26.808 ( 0.000 0.000 0.655) 0.655 26.833 ( 0.000 0.000 -0.055) 0.055 29.147 ( 0.000 0.000 6.682) 6.682 29.405 ( 0.000 0.000 3.054) 3.054 29.651 ( 0.000 0.000 -4.183) 4.183 29.658 ( 0.000 0.000 -8.647) 8.647 30.863 ( 0.000 0.000 13.478) 13.478 31.564 ( 0.000 0.000 -7.751) 7.751======================= Grid point 190 (62/100) =======================q-point: ( 0.14 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( 13.608 0.000 -9.378) 16.527 1.610 ( 19.546 0.000 -6.810) 20.698 1.796 ( -4.714 0.000 -14.413) 15.164 2.087 ( 10.834 0.000 9.699) 14.541 2.410 ( -4.752 0.000 -8.745) 9.952 3.187 ( 12.945 0.000 -22.743) 26.169 3.377 ( 11.130 0.000 -4.659) 12.066 3.492 ( 2.471 0.000 18.528) 18.692 3.678 ( 1.520 0.000 -9.868) 9.985 3.976 ( -4.709 0.000 3.527) 5.883 4.594 ( 15.519 0.000 -4.814) 16.249 4.745 ( -0.180 0.000 -13.862) 13.863 5.375 ( -8.428 0.000 -0.581) 8.448 5.707 ( -11.385 0.000 -1.908) 11.544 5.892 ( 1.841 0.000 2.580) 3.169 6.063 ( -1.090 0.000 -0.757) 1.327 6.430 ( 3.467 0.000 2.445) 4.243 6.737 ( 0.898 0.000 -4.211) 4.306 6.750 ( 1.249 0.000 -1.999) 2.357 7.232 ( -0.902 0.000 -11.856) 11.891 7.377 ( -2.856 0.000 5.498) 6.196 7.627 ( 3.948 0.000 -1.533) 4.235 7.733 ( 0.200 0.000 15.671) 15.673 8.065 ( -0.010 0.000 -1.937) 1.937 8.079 ( -0.538 0.000 -0.266) 0.600 8.225 ( -2.875 0.000 5.612) 6.306 8.282 ( -4.204 0.000 3.655) 5.571 8.758 ( -12.301 0.000 3.196) 12.709 8.850 ( 4.439 0.000 6.934) 8.233 9.005 ( 0.332 0.000 -5.510) 5.520 12.288 ( 0.157 0.000 2.953) 2.957 12.431 ( -1.241 0.000 -1.363) 1.843 13.018 ( 3.512 0.000 3.140) 4.711 13.162 ( 3.821 0.000 -1.428) 4.079 16.260 ( -0.610 0.000 0.875) 1.067 16.283 ( -5.628 0.000 1.811) 5.912 16.577 ( 2.079 0.000 0.519) 2.142 16.645 ( -2.582 0.000 1.615) 3.046 16.843 ( 2.004 0.000 -3.096) 3.688 16.864 ( 0.584 0.000 -1.611) 1.713 26.800 ( -0.566 0.000 0.708) 0.906 26.829 ( -0.417 0.000 -0.071) 0.423 29.222 ( 6.102 0.000 3.824) 7.201 29.406 ( 0.428 0.000 3.080) 3.109 29.523 ( -5.841 0.000 -3.941) 7.046 29.773 ( 4.327 0.000 -8.468) 9.510 30.868 ( 0.779 0.000 12.942) 12.966 31.501 ( -5.575 0.000 -5.801) 8.046======================= Grid point 191 (63/100) =======================q-point: ( 0.29 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.707 ( -2.323 0.000 -18.271) 18.418 1.771 ( 13.937 0.000 -23.365) 27.206 1.960 ( 9.995 0.000 -5.848) 11.581 2.220 ( 1.997 0.000 16.526) 16.646 2.427 ( 8.837 0.000 3.891) 9.656 3.304 ( -8.339 0.000 -15.053) 17.209 3.430 ( -2.321 0.000 -9.374) 9.657 3.639 ( 12.312 0.000 -29.445) 31.916 3.898 ( 18.815 0.000 21.022) 28.212 4.162 ( 17.330 0.000 4.405) 17.881 4.706 ( -1.580 0.000 -4.002) 4.303 4.883 ( 10.536 0.000 -6.603) 12.434 5.287 ( 0.264 0.000 -2.345) 2.360 5.516 ( -4.616 0.000 -0.076) 4.616 5.925 ( 3.845 0.000 -1.309) 4.062 5.942 ( -9.368 0.000 -2.733) 9.758 6.481 ( -7.209 0.000 5.697) 9.189 6.715 ( -7.726 0.000 7.362) 10.672 6.737 ( 5.828 0.000 -3.864) 6.993 7.147 ( -3.511 0.000 -5.074) 6.170 7.400 ( 3.913 0.000 0.327) 3.927 7.709 ( 2.409 0.000 -0.628) 2.489 7.736 ( 0.352 0.000 11.048) 11.054 8.057 ( -0.693 0.000 -2.033) 2.148 8.057 ( -1.360 0.000 -0.984) 1.679 8.166 ( -2.751 0.000 5.348) 6.014 8.212 ( -1.982 0.000 0.493) 2.042 8.408 ( -18.709 0.000 -0.360) 18.712 8.946 ( 4.265 0.000 4.934) 6.522 9.031 ( 1.354 0.000 -0.864) 1.607 12.297 ( 0.750 0.000 2.301) 2.420 12.397 ( -1.903 0.000 -0.685) 2.022 13.113 ( 5.047 0.000 3.680) 6.246 13.239 ( 2.845 0.000 -0.172) 2.850 16.193 ( -2.484 0.000 2.957) 3.862 16.240 ( -1.331 0.000 0.628) 1.472 16.593 ( -0.336 0.000 -0.794) 0.862 16.596 ( -1.857 0.000 0.685) 1.979 16.880 ( 1.339 0.000 -2.352) 2.707 16.881 ( 0.915 0.000 -1.554) 1.803 26.792 ( -0.138 0.000 0.560) 0.576 26.818 ( -0.605 0.000 -0.061) 0.608 29.325 ( 2.059 0.000 1.138) 2.353 29.418 ( -3.994 0.000 -1.695) 4.339 29.460 ( 5.761 0.000 0.718) 5.806 29.813 ( -0.817 0.000 -8.754) 8.792 30.914 ( 3.922 0.000 10.664) 11.363 31.355 ( -7.793 0.000 -1.835) 8.006======================= Grid point 192 (64/100) =======================q-point: ( 0.43 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.725 ( 3.865 0.000 -20.165) 20.532 1.830 ( -4.628 0.000 -28.803) 29.172 2.190 ( 8.754 0.000 -1.151) 8.830 2.244 ( 0.865 0.000 8.479) 8.523 2.667 ( 13.120 0.000 12.245) 17.946 3.008 ( -17.435 0.000 -0.173) 17.436 3.501 ( 9.748 0.000 -17.351) 19.902 3.708 ( -5.995 0.000 -27.470) 28.116 4.291 ( 13.323 0.000 2.560) 13.567 4.406 ( 2.752 0.000 -2.373) 3.634 4.798 ( 10.810 0.000 1.594) 10.927 4.976 ( -2.320 0.000 -4.685) 5.228 5.372 ( 7.202 0.000 -0.778) 7.244 5.519 ( -2.026 0.000 0.934) 2.231 5.801 ( 3.724 0.000 2.255) 4.353 6.033 ( -1.757 0.000 2.645) 3.175 6.219 ( -5.703 0.000 2.305) 6.151 6.437 ( -15.759 0.000 6.676) 17.115 6.931 ( 9.537 0.000 -0.410) 9.546 7.086 ( -4.658 0.000 -0.267) 4.666 7.537 ( 9.280 0.000 1.247) 9.363 7.697 ( -3.827 0.000 4.130) 5.630 7.769 ( 3.640 0.000 4.536) 5.815 7.961 ( -14.685 0.000 1.865) 14.803 8.039 ( -0.194 0.000 -0.880) 0.901 8.048 ( -1.116 0.000 -1.672) 2.011 8.192 ( -0.385 0.000 -1.519) 1.567 8.193 ( -1.159 0.000 -1.859) 2.191 9.017 ( 2.401 0.000 2.928) 3.787 9.045 ( -0.224 0.000 1.140) 1.162 12.320 ( 1.435 0.000 1.308) 1.941 12.356 ( -1.902 0.000 0.251) 1.919 13.211 ( 3.929 0.000 3.514) 5.271 13.263 ( -0.749 0.000 2.042) 2.175 16.178 ( 0.664 0.000 1.943) 2.053 16.206 ( -1.724 0.000 0.901) 1.946 16.573 ( -0.305 0.000 0.082) 0.316 16.579 ( -0.697 0.000 -0.518) 0.868 16.896 ( 0.443 0.000 -1.837) 1.889 16.898 ( 0.338 0.000 -2.078) 2.105 26.795 ( 0.365 0.000 0.268) 0.452 26.805 ( -0.582 0.000 0.046) 0.584 29.339 ( 0.283 0.000 1.265) 1.296 29.358 ( -1.784 0.000 0.153) 1.790 29.608 ( 7.254 0.000 -3.917) 8.244 29.744 ( -5.377 0.000 -6.962) 8.796 31.031 ( 6.892 0.000 6.660) 9.584 31.189 ( -7.932 0.000 2.349) 8.273======================= Grid point 196 (65/100) =======================q-point: ( 0.00 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.361 ( 0.000 8.335 -14.936) 17.105 1.589 ( 0.000 9.085 -10.441) 13.840 1.905 ( 0.000 7.410 14.941) 16.677 2.241 ( 0.000 24.498 -12.359) 27.439 2.628 ( 0.000 12.646 -10.943) 16.723 2.995 ( 0.000 -3.374 -21.177) 21.444 3.148 ( 0.000 -4.942 4.161) 6.461 3.473 ( 0.000 2.849 39.994) 40.095 3.669 ( 0.000 -0.313 -18.541) 18.544 4.023 ( 0.000 -11.445 -9.079) 14.608 4.396 ( 0.000 5.885 -4.367) 7.328 4.627 ( 0.000 -9.827 -21.472) 23.614 5.523 ( 0.000 -0.327 7.383) 7.391 5.701 ( 0.000 -7.666 1.845) 7.885 5.884 ( 0.000 -8.739 0.546) 8.756 5.887 ( 0.000 -2.174 -2.572) 3.367 6.392 ( 0.000 -3.663 3.277) 4.915 6.641 ( 0.000 -7.018 -3.272) 7.743 6.722 ( 0.000 1.260 -7.333) 7.440 7.156 ( 0.000 -6.023 -15.953) 17.052 7.595 ( 0.000 13.343 4.333) 14.029 7.714 ( 0.000 -1.214 15.391) 15.439 7.752 ( 0.000 12.907 -0.858) 12.936 7.986 ( 0.000 -1.097 1.395) 1.775 8.086 ( 0.000 -3.886 3.365) 5.141 8.238 ( 0.000 -2.255 4.100) 4.679 8.374 ( 0.000 2.529 2.191) 3.346 8.785 ( 0.000 -0.772 8.195) 8.232 8.876 ( 0.000 0.379 7.246) 7.256 8.976 ( 0.000 -5.319 -11.553) 12.719 12.314 ( 0.000 2.637 3.469) 4.357 12.486 ( 0.000 3.365 -1.664) 3.754 12.981 ( 0.000 0.165 2.787) 2.792 13.115 ( 0.000 -0.009 -1.394) 1.395 16.219 ( 0.000 -3.235 1.964) 3.784 16.363 ( 0.000 -0.556 -2.218) 2.287 16.533 ( 0.000 0.039 4.024) 4.024 16.697 ( 0.000 1.085 2.553) 2.774 16.811 ( 0.000 -0.357 -4.256) 4.271 16.863 ( 0.000 0.256 -1.576) 1.597 26.802 ( 0.000 -0.402 0.692) 0.801 26.835 ( 0.000 0.105 -0.121) 0.160 29.155 ( 0.000 0.705 6.394) 6.433 29.435 ( 0.000 3.166 4.190) 5.251 29.645 ( 0.000 -1.204 -8.294) 8.381 29.762 ( 0.000 9.036 -5.071) 10.362 30.836 ( 0.000 -2.336 13.212) 13.417 31.498 ( 0.000 -5.618 -7.110) 9.062======================= Grid point 197 (66/100) =======================q-point: ( 0.14 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( 6.150 -3.448 -13.435) 15.173 1.681 ( 11.080 14.652 -12.863) 22.426 2.055 ( 7.048 7.152 11.414) 15.202 2.232 ( 3.040 19.424 -11.167) 22.611 2.529 ( -4.863 11.132 -2.958) 12.503 3.153 ( 10.745 -2.561 -19.127) 22.088 3.349 ( 13.790 -2.606 -0.023) 14.034 3.532 ( 1.191 3.211 9.870) 10.447 3.652 ( 8.542 -0.239 6.630) 10.816 3.963 ( -3.344 -0.958 -10.131) 10.712 4.490 ( 4.172 -7.993 -3.812) 9.789 4.693 ( 7.360 -4.003 -16.388) 18.405 5.362 ( -8.349 0.129 2.761) 8.795 5.732 ( -1.760 -0.341 -1.348) 2.243 5.859 ( 2.715 -2.325 1.231) 3.781 6.037 ( 3.886 -2.903 -0.232) 4.856 6.303 ( -3.344 -8.452 1.849) 9.276 6.608 ( -0.714 -9.294 -3.396) 9.920 6.757 ( -0.537 -1.123 -3.696) 3.900 7.151 ( -0.890 -7.093 -12.821) 14.679 7.499 ( -8.023 10.141 8.263) 15.346 7.706 ( 0.426 3.130 9.089) 9.622 7.810 ( 3.550 6.717 0.726) 7.632 7.986 ( -0.130 -0.477 1.415) 1.499 8.099 ( 0.518 -1.706 2.004) 2.682 8.202 ( -2.767 -2.410 4.457) 5.774 8.308 ( -4.842 2.507 1.903) 5.775 8.777 ( -10.281 0.118 -0.225) 10.284 8.843 ( 4.502 -0.575 6.900) 8.259 8.979 ( 1.478 -2.536 -3.295) 4.413 12.311 ( -0.267 2.222 3.345) 4.025 12.467 ( -1.672 2.913 -1.315) 3.607 13.017 ( 3.096 -0.127 2.974) 4.295 13.156 ( 3.455 -0.499 -1.347) 3.742 16.210 ( -0.935 -2.711 2.141) 3.579 16.302 ( -3.984 0.638 0.223) 4.041 16.557 ( 0.988 -1.334 1.480) 2.224 16.669 ( -2.065 1.465 0.844) 2.669 16.820 ( 0.793 -1.253 -2.036) 2.519 16.889 ( 1.958 1.300 -2.166) 3.196 26.796 ( -0.435 -0.256 0.705) 0.867 26.832 ( -0.295 0.211 -0.144) 0.390 29.219 ( 5.138 -0.117 4.619) 6.911 29.430 ( -0.499 2.488 4.123) 4.841 29.578 ( -3.428 3.556 -5.297) 7.243 29.844 ( 4.688 6.668 -8.116) 11.503 30.832 ( -0.086 -3.201 12.829) 13.222 31.436 ( -5.553 -5.621 -5.514) 9.635======================= Grid point 198 (67/100) =======================q-point: ( 0.29 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.574 ( 3.352 -6.643 -19.125) 20.522 1.896 ( 5.748 4.301 -16.047) 17.580 2.092 ( -0.093 8.626 8.294) 11.967 2.347 ( 3.543 12.896 -4.538) 14.123 2.574 ( 9.903 12.952 8.716) 18.488 3.196 ( -4.887 -3.626 -5.954) 8.513 3.557 ( 4.233 5.517 -19.702) 20.894 3.704 ( 9.959 5.429 -18.914) 22.054 3.904 ( 11.856 0.124 8.004) 14.305 4.110 ( 19.268 -2.344 4.863) 20.010 4.526 ( 2.900 -11.207 1.552) 11.679 4.897 ( 9.669 -1.320 -9.704) 13.763 5.283 ( 1.682 2.607 1.192) 3.324 5.672 ( -6.127 7.449 -2.769) 10.035 5.869 ( -0.123 -2.113 -1.032) 2.355 5.985 ( -3.917 1.877 -2.521) 5.022 6.328 ( -0.924 -12.520 5.915) 13.878 6.627 ( 1.593 -8.915 -2.971) 9.531 6.686 ( -3.588 -4.892 1.216) 6.187 7.097 ( -4.925 -4.412 -4.533) 8.017 7.342 ( -4.225 0.234 4.587) 6.241 7.723 ( 0.470 2.716 6.586) 7.140 7.848 ( -0.721 -1.463 1.624) 2.302 7.977 ( -0.858 1.582 2.018) 2.704 8.068 ( -3.159 -1.029 1.469) 3.633 8.165 ( -0.438 0.892 3.796) 3.924 8.234 ( -1.676 3.676 -1.482) 4.304 8.500 ( -13.974 3.676 -3.101) 14.778 8.940 ( 4.246 -0.515 4.972) 6.559 9.020 ( 1.821 -1.051 0.322) 2.127 12.309 ( 0.245 1.331 2.785) 3.097 12.424 ( -2.240 2.144 -0.574) 3.153 13.095 ( 3.923 -1.359 3.464) 5.407 13.232 ( 3.186 -0.789 -0.517) 3.323 16.184 ( -1.137 -0.565 2.524) 2.825 16.241 ( -1.910 0.211 0.584) 2.008 16.557 ( -0.621 -1.601 0.519) 1.794 16.631 ( -1.410 1.394 -0.594) 2.070 16.837 ( 0.665 -1.663 -0.756) 1.944 16.927 ( 1.437 1.846 -2.454) 3.391 26.789 ( -0.203 -0.142 0.597) 0.646 26.825 ( -0.354 0.491 -0.166) 0.627 29.309 ( 2.304 -0.885 2.781) 3.718 29.412 ( -1.245 0.820 3.447) 3.756 29.566 ( 2.997 7.381 -3.873) 8.858 29.902 ( 0.265 7.807 -9.386) 12.212 30.856 ( 2.932 -5.204 10.806) 12.347 31.290 ( -7.825 -5.756 -2.082) 9.934======================= Grid point 199 (68/100) =======================q-point: ( 0.43 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.644 ( 2.953 -5.203 -22.734) 23.508 1.893 ( -2.860 -1.603 -19.867) 20.135 2.135 ( 2.538 3.205 6.739) 7.882 2.383 ( -0.096 8.845 4.560) 9.952 2.800 ( 10.439 12.454 10.510) 19.353 3.089 ( -6.906 6.339 2.901) 9.813 3.583 ( 3.556 7.951 -20.873) 22.618 3.749 ( -3.880 3.311 -26.613) 27.098 4.211 ( 11.657 -5.403 -3.132) 13.225 4.332 ( 0.443 -6.543 -7.179) 9.723 4.796 ( 19.070 0.790 9.773) 21.443 5.038 ( 1.435 3.937 -3.700) 5.590 5.383 ( 5.142 -0.212 0.070) 5.146 5.515 ( -8.126 -0.145 -1.310) 8.232 5.791 ( 0.842 -1.233 1.819) 2.353 5.988 ( -7.510 -4.812 4.851) 10.154 6.247 ( 4.573 3.515 -0.369) 5.780 6.511 ( -11.509 3.185 2.811) 12.268 6.747 ( 5.370 -14.599 -1.908) 15.672 6.987 ( -4.048 -4.958 5.019) 8.134 7.372 ( 5.419 -10.520 -2.476) 12.089 7.652 ( -6.947 -6.019 2.003) 9.408 7.852 ( 2.929 2.982 5.639) 7.019 7.934 ( -3.490 2.800 4.023) 6.017 8.030 ( -0.093 0.206 1.588) 1.604 8.125 ( -3.772 3.746 2.171) 5.742 8.228 ( 0.843 4.705 -3.047) 5.669 8.297 ( -4.029 4.546 -5.382) 8.115 9.009 ( 2.036 -0.708 3.450) 4.068 9.042 ( 0.264 -0.410 1.421) 1.502 12.321 ( 0.678 0.533 1.941) 2.124 12.382 ( -1.469 1.809 0.253) 2.344 13.161 ( 1.900 -3.178 3.775) 5.288 13.276 ( 0.985 0.013 0.691) 1.203 16.177 ( 0.422 0.185 1.676) 1.738 16.208 ( -1.233 0.291 0.798) 1.497 16.545 ( -0.338 -1.181 0.278) 1.260 16.610 ( -0.505 1.319 -0.745) 1.597 16.846 ( 0.171 -2.031 -0.497) 2.098 16.947 ( 0.462 1.926 -2.605) 3.273 26.787 ( 0.002 -0.241 0.448) 0.509 26.819 ( -0.162 0.800 -0.155) 0.831 29.324 ( -0.025 0.130 2.969) 2.972 29.388 ( -0.719 1.171 3.189) 3.472 29.666 ( 4.741 6.285 -5.122) 9.392 29.861 ( -3.102 9.540 -8.330) 13.039 30.956 ( 5.987 -6.779 6.772) 11.299 31.126 ( -7.369 -5.660 1.769) 9.459======================= Grid point 203 (69/100) =======================q-point: ( 0.00 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.587 ( 0.000 11.799 -14.251) 18.501 1.619 ( 0.000 -4.329 -10.548) 11.402 2.096 ( 0.000 9.555 4.103) 10.398 2.650 ( 0.000 7.161 9.391) 11.810 2.835 ( 0.000 -13.633 1.977) 13.775 2.936 ( 0.000 15.077 -14.012) 20.583 3.035 ( 0.000 -3.279 -6.826) 7.572 3.654 ( 0.000 5.497 -1.980) 5.843 3.740 ( 0.000 -13.663 -10.886) 17.470 3.869 ( 0.000 28.205 19.317) 34.186 4.339 ( 0.000 -16.000 -22.783) 27.840 4.567 ( 0.000 9.734 -9.142) 13.354 5.539 ( 0.000 2.768 9.254) 9.659 5.557 ( 0.000 -5.079 2.520) 5.669 5.764 ( 0.000 -1.234 -0.536) 1.346 5.802 ( 0.000 -5.048 -2.198) 5.506 6.341 ( 0.000 -1.186 1.140) 1.646 6.500 ( 0.000 -5.804 -2.559) 6.343 6.641 ( 0.000 -8.568 -7.209) 11.197 6.987 ( 0.000 -8.664 -16.663) 18.781 7.693 ( 0.000 -1.506 12.780) 12.868 7.904 ( 0.000 14.222 3.423) 14.628 7.907 ( 0.000 -9.896 4.372) 10.818 8.030 ( 0.000 11.942 -0.872) 11.973 8.049 ( 0.000 3.692 4.722) 5.995 8.191 ( 0.000 -1.990 0.792) 2.142 8.398 ( 0.000 -1.003 0.261) 1.036 8.766 ( 0.000 -0.889 8.665) 8.710 8.778 ( 0.000 -12.436 -11.192) 16.731 8.886 ( 0.000 0.486 6.936) 6.953 12.395 ( 0.000 4.604 3.930) 6.053 12.559 ( 0.000 2.999 -0.575) 3.054 12.986 ( 0.000 0.297 2.670) 2.686 13.114 ( 0.000 -0.081 -1.245) 1.247 16.176 ( 0.000 -0.355 2.545) 2.570 16.354 ( 0.000 -0.268 -2.160) 2.177 16.533 ( 0.000 0.021 3.858) 3.858 16.714 ( 0.000 0.564 1.988) 2.066 16.802 ( 0.000 -0.498 -4.186) 4.216 16.860 ( 0.000 -0.670 -1.301) 1.463 26.796 ( 0.000 -0.082 0.665) 0.670 26.837 ( 0.000 0.128 -0.289) 0.316 29.175 ( 0.000 1.130 5.649) 5.761 29.531 ( 0.000 5.239 5.942) 7.922 29.611 ( 0.000 -1.826 -7.396) 7.618 29.966 ( 0.000 8.873 -4.688) 10.035 30.781 ( 0.000 -2.454 12.587) 12.824 31.360 ( 0.000 -6.568 -7.038) 9.627======================= Grid point 204 (70/100) =======================q-point: ( 0.14 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.444 ( -3.649 -2.146 -12.057) 12.778 1.872 ( 10.310 4.356 -9.991) 15.003 2.225 ( 8.660 11.092 5.761) 15.205 2.567 ( -2.193 5.509 -4.185) 7.257 2.786 ( 0.041 9.636 3.926) 10.405 3.127 ( 7.462 1.453 -14.199) 16.106 3.213 ( 18.100 -9.263 7.668) 21.730 3.551 ( -1.910 1.065 -8.703) 8.973 3.871 ( 5.720 -7.458 -11.375) 14.756 3.941 ( 7.634 23.666 11.427) 27.367 4.377 ( 2.534 -2.133 -11.238) 11.716 4.624 ( 6.113 -0.480 -11.099) 12.680 5.391 ( -5.359 2.456 5.614) 8.141 5.663 ( 1.304 -4.242 -0.646) 4.484 5.825 ( 8.962 -0.781 1.813) 9.177 5.937 ( 8.351 -4.455 -0.576) 9.483 6.200 ( -11.310 -1.451 -0.245) 11.405 6.423 ( -5.678 -7.243 -3.039) 9.692 6.647 ( -1.395 -9.345 -4.211) 10.344 6.982 ( -0.525 -7.894 -14.438) 16.463 7.657 ( -5.625 2.170 12.159) 13.571 7.797 ( -3.276 3.565 6.486) 8.094 7.921 ( -5.693 5.337 2.548) 8.208 7.966 ( 0.908 -1.718 1.368) 2.376 8.146 ( -2.016 1.300 1.376) 2.766 8.169 ( 4.155 4.553 1.458) 6.334 8.342 ( -3.617 -0.016 0.511) 3.653 8.683 ( -7.746 -9.462 -8.127) 14.683 8.830 ( 4.613 -0.652 6.701) 8.161 8.931 ( 3.152 -1.016 4.438) 5.537 12.381 ( -1.185 4.103 3.820) 5.730 12.530 ( -2.510 2.566 -0.243) 3.598 13.016 ( 2.452 0.130 2.502) 3.506 13.142 ( 2.493 -0.772 -1.173) 2.861 16.179 ( 0.265 0.042 2.393) 2.408 16.314 ( -3.122 0.604 -0.617) 3.240 16.530 ( -0.251 -1.145 2.318) 2.598 16.692 ( -2.133 0.592 -0.062) 2.215 16.799 ( 0.724 -0.568 -1.378) 1.657 16.904 ( 2.721 -0.075 -2.010) 3.383 26.793 ( -0.213 0.048 0.659) 0.695 26.836 ( -0.113 0.188 -0.297) 0.369 29.223 ( 3.888 0.474 5.424) 6.690 29.490 ( -2.596 2.371 4.771) 5.926 29.654 ( 3.160 4.025 -4.977) 7.139 30.018 ( 4.324 8.208 -6.673) 11.428 30.753 ( -2.299 -3.594 12.461) 13.171 31.295 ( -5.857 -6.840 -6.017) 10.830======================= Grid point 205 (71/100) =======================q-point: ( 0.29 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( 1.937 -7.178 -14.124) 15.961 1.915 ( -5.077 -0.346 -7.083) 8.722 2.333 ( 2.727 13.367 9.247) 16.481 2.617 ( 1.997 10.540 -6.348) 12.465 2.873 ( 7.990 11.985 10.174) 17.635 3.223 ( 4.008 5.609 -4.900) 8.458 3.621 ( 11.737 -2.164 -14.199) 18.549 3.681 ( 15.260 -6.467 -4.509) 17.177 3.928 ( 3.774 0.889 -12.726) 13.304 4.167 ( 8.610 7.464 -8.669) 14.318 4.465 ( 9.503 9.340 8.054) 15.570 4.820 ( 11.971 -6.554 -8.444) 16.049 5.344 ( 0.372 1.531 4.056) 4.351 5.664 ( -2.603 -6.108 -2.168) 6.985 5.900 ( -9.585 2.170 -1.419) 9.930 5.984 ( -2.405 -2.991 -4.559) 5.959 6.109 ( 6.248 -2.582 4.565) 8.157 6.374 ( 3.909 -11.949 -1.565) 12.669 6.562 ( -5.310 -7.375 -1.542) 9.218 6.980 ( 0.886 -5.354 -8.634) 10.198 7.438 ( -13.225 6.217 8.088) 16.703 7.749 ( -9.817 -0.739 3.094) 10.319 7.813 ( 2.555 2.263 6.590) 7.421 7.968 ( -0.312 -3.726 2.172) 4.324 8.071 ( -3.573 0.322 5.073) 6.213 8.255 ( 2.772 6.006 -0.469) 6.631 8.303 ( -0.276 2.201 -2.256) 3.164 8.480 ( -10.603 -5.631 -5.658) 13.272 8.927 ( 4.150 -0.719 5.187) 6.682 8.992 ( 2.392 -1.213 3.301) 4.253 12.356 ( -0.916 2.899 3.354) 4.527 12.469 ( -3.013 1.766 0.333) 3.508 13.071 ( 2.405 -0.656 2.534) 3.554 13.204 ( 3.007 -1.762 -1.021) 3.632 16.186 ( 0.367 0.926 2.056) 2.284 16.254 ( -2.188 1.105 0.366) 2.478 16.525 ( -0.197 -1.487 1.057) 1.835 16.647 ( -1.763 0.048 -1.306) 2.194 16.816 ( 0.529 -0.150 0.334) 0.643 16.950 ( 1.590 0.216 -2.245) 2.759 26.790 ( -0.114 0.263 0.612) 0.675 26.834 ( -0.108 0.306 -0.295) 0.439 29.302 ( 3.034 0.149 5.575) 6.349 29.443 ( -1.823 1.843 6.462) 6.962 29.741 ( 5.190 8.675 -5.037) 11.294 30.102 ( 2.496 9.777 -9.814) 14.076 30.715 ( -0.226 -7.267 11.352) 13.481 31.139 ( -8.420 -7.727 -3.479) 11.946======================= Grid point 206 (72/100) =======================q-point: ( 0.43 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( 3.881 -7.312 -16.209) 18.201 1.776 ( -5.830 -6.215 -10.353) 13.409 2.368 ( 0.725 16.846 7.758) 18.561 2.600 ( -1.602 12.083 9.430) 15.411 3.077 ( 10.385 8.730 9.083) 16.327 3.257 ( -3.625 9.811 0.689) 10.482 3.738 ( 4.850 2.975 -23.018) 23.711 3.853 ( -1.206 5.706 -19.631) 20.479 4.113 ( 8.948 -2.970 -10.139) 13.845 4.246 ( 0.991 1.632 -13.246) 13.383 4.820 ( 20.294 1.120 11.339) 23.274 5.084 ( 8.388 -1.136 -1.180) 8.547 5.310 ( -3.796 -7.085 3.915) 8.940 5.494 ( -11.218 -3.574 -3.259) 12.217 5.757 ( -3.079 -1.008 -0.707) 3.316 5.872 ( -4.625 -4.440 0.670) 6.447 6.242 ( 5.524 -5.372 -2.528) 8.110 6.378 ( -5.050 -11.304 -4.342) 13.119 6.627 ( 10.070 4.270 4.400) 11.790 6.990 ( -3.221 2.350 4.840) 6.271 7.203 ( -4.916 -2.570 -1.996) 5.895 7.530 ( -8.411 -3.903 -0.068) 9.273 7.897 ( 3.807 1.152 6.090) 7.273 7.966 ( 0.145 -0.874 3.680) 3.785 8.027 ( 0.383 -0.783 5.115) 5.189 8.192 ( -8.213 0.554 0.421) 8.243 8.319 ( 1.298 3.479 -3.179) 4.888 8.348 ( -1.174 1.101 -4.414) 4.698 8.992 ( 1.824 -0.827 4.322) 4.763 9.024 ( 0.580 -1.229 2.860) 3.167 12.348 ( 0.035 1.850 2.639) 3.223 12.417 ( -1.619 1.279 0.920) 2.259 13.107 ( 0.940 -1.557 2.749) 3.296 13.252 ( 1.281 -2.135 -0.875) 2.639 16.193 ( 0.320 1.358 1.371) 1.956 16.224 ( -0.753 1.268 0.703) 1.634 16.524 ( 0.025 -0.885 0.470) 1.002 16.622 ( -0.572 -0.351 -1.214) 1.387 16.820 ( -0.015 -0.162 0.875) 0.890 16.971 ( 0.432 0.188 -2.344) 2.391 26.789 ( -0.008 0.395 0.551) 0.678 26.832 ( -0.039 0.377 -0.273) 0.467 29.346 ( 1.230 1.592 6.414) 6.722 29.412 ( -1.104 1.323 7.370) 7.569 29.853 ( 4.388 10.367 -5.561) 12.556 30.099 ( -1.914 12.006 -9.824) 15.631 30.766 ( 4.258 -10.470 6.895) 13.240 30.969 ( -6.896 -8.547 -0.033) 10.982======================= Grid point 210 (73/100) =======================q-point: ( 0.00 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( 0.000 -5.687 0.018) 5.687 1.811 ( 0.000 8.423 -10.100) 13.151 2.244 ( 0.000 -0.467 -6.904) 6.920 2.551 ( 0.000 -4.492 10.387) 11.317 2.662 ( 0.000 -2.125 14.147) 14.306 2.970 ( 0.000 -5.958 -12.632) 13.967 3.234 ( 0.000 13.304 -8.751) 15.924 3.504 ( 0.000 -6.512 -9.143) 11.225 3.682 ( 0.000 -3.391 -3.909) 5.175 4.018 ( 0.000 -12.761 -17.447) 21.616 4.496 ( 0.000 20.065 3.038) 20.293 4.812 ( 0.000 14.890 -1.000) 14.923 5.494 ( 0.000 -1.141 -0.424) 1.217 5.677 ( 0.000 10.479 6.116) 12.133 5.699 ( 0.000 -4.127 -2.004) 4.588 5.847 ( 0.000 7.850 2.575) 8.261 6.331 ( 0.000 0.104 -0.066) 0.123 6.402 ( 0.000 -3.414 -1.726) 3.826 6.429 ( 0.000 -9.138 -9.021) 12.841 6.797 ( 0.000 -10.531 -11.730) 15.763 7.579 ( 0.000 -6.457 6.800) 9.377 7.771 ( 0.000 -2.458 7.428) 7.825 8.074 ( 0.000 -10.183 -0.147) 10.184 8.130 ( 0.000 1.386 0.118) 1.391 8.153 ( 0.000 8.589 1.842) 8.785 8.227 ( 0.000 6.264 -0.178) 6.267 8.327 ( 0.000 -3.255 0.538) 3.299 8.568 ( 0.000 -4.949 -9.802) 10.981 8.751 ( 0.000 -0.457 9.058) 9.069 8.895 ( 0.000 0.303 6.949) 6.955 12.492 ( 0.000 4.077 4.025) 5.729 12.600 ( 0.000 0.780 1.514) 1.703 12.993 ( 0.000 0.268 2.493) 2.507 13.112 ( 0.000 -0.117 -1.042) 1.049 16.201 ( 0.000 2.240 2.528) 3.378 16.345 ( 0.000 -0.809 -1.171) 1.423 16.533 ( 0.000 -0.008 3.712) 3.712 16.731 ( 0.000 1.278 0.942) 1.587 16.792 ( 0.000 -0.349 -4.124) 4.138 16.832 ( 0.000 -1.911 -1.573) 2.475 26.797 ( 0.000 0.079 0.631) 0.636 26.841 ( 0.000 0.153 -0.477) 0.501 29.199 ( 0.000 0.939 4.809) 4.900 29.575 ( 0.000 -1.423 -6.408) 6.564 29.631 ( 0.000 3.696 7.174) 8.070 30.106 ( 0.000 4.131 -2.469) 4.813 30.747 ( 0.000 -0.628 12.195) 12.211 31.244 ( 0.000 -4.025 -8.616) 9.510======================= Grid point 211 (74/100) =======================q-point: ( 0.14 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( -6.896 -4.155 -1.435) 8.177 1.960 ( 6.178 3.892 -9.410) 11.911 2.467 ( 10.988 9.902 -2.206) 14.955 2.510 ( 8.392 -6.785 7.908) 13.379 2.824 ( 11.410 -2.869 5.675) 13.062 3.082 ( 8.922 -2.940 -3.131) 9.902 3.269 ( 4.007 8.958 -4.650) 10.859 3.502 ( 1.684 -4.057 -11.697) 12.495 3.733 ( 5.923 -4.059 -6.833) 9.912 4.155 ( 10.035 -9.099 -15.692) 20.730 4.531 ( 3.674 15.261 1.005) 15.729 4.755 ( -3.843 11.330 -1.611) 12.072 5.465 ( -5.366 4.537 2.811) 7.569 5.620 ( 0.879 -0.263 -1.371) 1.650 5.832 ( 4.532 2.292 0.941) 5.165 5.933 ( 9.735 3.761 3.119) 10.893 6.203 ( -9.218 1.894 -1.864) 9.594 6.312 ( -7.501 -3.356 -1.504) 8.354 6.424 ( -1.739 -9.438 -7.025) 11.893 6.810 ( 1.272 -9.477 -10.528) 14.222 7.603 ( 1.431 -4.139 7.341) 8.548 7.778 ( 0.430 -1.570 7.210) 7.391 7.976 ( -9.318 0.762 1.718) 9.506 8.048 ( -4.184 -2.983 1.042) 5.243 8.149 ( -2.678 5.373 0.999) 6.086 8.280 ( 2.006 0.353 -0.957) 2.250 8.299 ( -0.138 -0.781 0.218) 0.822 8.489 ( -5.904 -5.241 -7.347) 10.784 8.818 ( 4.711 -0.404 6.696) 8.197 8.925 ( 2.426 0.062 6.214) 6.671 12.468 ( -2.075 3.678 3.877) 5.733 12.565 ( -3.015 0.669 1.618) 3.486 13.022 ( 2.336 0.317 2.024) 3.107 13.126 ( 1.335 -0.643 -1.037) 1.809 16.207 ( 0.488 2.128 2.365) 3.219 16.324 ( -1.850 0.135 -0.622) 1.956 16.508 ( -1.491 -0.918 2.942) 3.424 16.695 ( -3.011 -0.131 -1.047) 3.191 16.804 ( 1.810 1.091 -1.335) 2.500 16.885 ( 3.020 -1.638 -1.889) 3.920 26.796 ( -0.006 0.170 0.633) 0.655 26.840 ( -0.097 0.132 -0.441) 0.471 29.235 ( 3.104 0.521 5.559) 6.388 29.520 ( -2.428 0.697 3.755) 4.525 29.742 ( 7.524 3.659 -2.507) 8.734 30.144 ( 3.581 3.300 -3.312) 5.890 30.704 ( -3.932 -0.806 11.734) 12.402 31.171 ( -6.652 -4.428 -8.091) 11.372======================= Grid point 212 (75/100) =======================q-point: ( 0.29 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( 0.893 -4.381 -3.546) 5.707 1.901 ( -9.675 -0.922 -9.133) 13.336 2.627 ( 9.993 13.215 11.653) 20.256 2.834 ( 9.004 10.617 -2.954) 14.231 3.028 ( 7.936 2.522 5.715) 10.100 3.292 ( 9.707 -3.771 1.048) 10.466 3.473 ( 14.891 -3.087 3.754) 15.665 3.604 ( 8.165 -1.988 -19.736) 21.450 3.939 ( 12.493 1.167 -12.884) 17.985 4.323 ( 4.469 0.077 -9.595) 10.585 4.659 ( 6.822 -2.851 -5.150) 9.010 4.737 ( 5.463 9.434 -2.241) 11.130 5.327 ( -7.828 -1.264 4.919) 9.331 5.557 ( -6.776 -2.236 -2.459) 7.547 5.901 ( -4.288 0.430 -1.003) 4.425 5.973 ( -4.362 -1.618 -3.504) 5.824 6.094 ( -2.794 -0.518 -2.342) 3.682 6.280 ( 4.767 3.099 -0.221) 5.691 6.403 ( 6.507 -4.114 -1.687) 7.881 6.870 ( 5.206 -6.101 -6.634) 10.409 7.545 ( -10.127 3.891 7.557) 13.221 7.736 ( -7.444 -0.899 4.442) 8.715 7.828 ( -0.417 -2.170 2.273) 3.170 7.939 ( -4.653 1.269 2.624) 5.491 8.057 ( -4.154 -1.448 2.636) 5.128 8.272 ( -4.077 -6.116 -1.536) 7.509 8.334 ( 1.630 -0.151 -2.089) 2.654 8.384 ( -1.751 1.728 -2.772) 3.706 8.912 ( 3.961 -0.550 5.545) 6.837 8.975 ( 1.974 -0.427 5.154) 5.536 12.419 ( -2.149 2.730 3.417) 4.873 12.492 ( -3.514 0.426 1.695) 3.924 13.071 ( 2.010 0.592 1.275) 2.453 13.163 ( 1.937 -1.959 -1.160) 2.989 16.218 ( 0.522 1.745 2.041) 2.736 16.283 ( -1.696 1.389 0.072) 2.193 16.494 ( 0.265 -1.319 1.743) 2.202 16.635 ( -2.441 -0.870 -1.470) 2.980 16.835 ( 0.865 1.839 -0.000) 2.033 16.934 ( 1.565 -1.681 -1.758) 2.892 26.798 ( 0.159 0.427 0.582) 0.739 26.837 ( -0.167 0.010 -0.322) 0.363 29.309 ( 3.670 0.424 7.446) 8.312 29.481 ( -1.581 1.531 8.614) 8.891 29.915 ( 8.558 7.328 -5.545) 12.558 30.249 ( 5.899 2.397 -6.940) 9.418 30.600 ( -5.279 -2.130 11.121) 12.493 30.988 ( -10.082 -5.936 -6.470) 13.370======================= Grid point 213 (76/100) =======================q-point: ( 0.43 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( 6.909 -2.388 -7.593) 10.540 1.667 ( -10.511 -3.841 -7.659) 13.560 2.797 ( 5.133 21.158 8.929) 23.531 2.893 ( -0.413 14.652 8.589) 16.989 3.190 ( 6.816 4.602 7.970) 11.452 3.355 ( -2.583 -0.887 0.823) 2.852 3.763 ( 9.210 -4.489 -6.395) 12.078 3.823 ( 8.539 -5.658 -21.452) 23.772 4.133 ( 3.671 5.441 -13.062) 14.619 4.381 ( 2.535 5.938 -8.329) 10.538 4.797 ( 8.241 -4.950 -2.350) 9.897 4.957 ( 6.453 -8.208 -2.569) 10.752 5.147 ( -3.023 -4.898 3.118) 6.546 5.364 ( -12.010 -6.608 -1.806) 13.826 5.776 ( -5.249 2.036 -3.151) 6.452 5.832 ( -3.513 -0.306 -2.607) 4.385 6.152 ( 4.022 -0.906 -4.674) 6.233 6.235 ( -3.996 -3.367 -5.687) 7.723 6.745 ( 18.748 6.391 4.871) 20.397 7.015 ( 4.000 1.503 1.656) 4.583 7.260 ( -10.699 4.247 1.999) 11.684 7.483 ( -13.464 -1.636 1.492) 13.644 7.891 ( 3.135 -2.846 0.741) 4.299 7.915 ( 2.011 -1.358 1.242) 2.726 7.997 ( -0.979 -2.231 6.565) 7.003 8.120 ( -7.891 -5.053 1.813) 9.544 8.369 ( 1.323 1.106 -1.694) 2.417 8.384 ( 0.118 1.998 -1.805) 2.695 8.976 ( 1.938 -0.620 5.015) 5.412 8.999 ( 0.237 -0.875 4.613) 4.701 12.390 ( -0.582 1.899 2.800) 3.433 12.433 ( -1.766 0.271 1.815) 2.547 13.099 ( 0.684 0.759 0.895) 1.358 13.195 ( 0.927 -2.933 -1.402) 3.381 16.229 ( 0.484 1.685 1.353) 2.215 16.257 ( -0.829 1.485 0.656) 1.823 16.511 ( 0.875 -0.190 0.617) 1.088 16.596 ( -1.189 -1.860 -0.755) 2.333 16.842 ( 0.038 2.123 0.525) 2.187 16.953 ( 0.332 -1.848 -1.599) 2.466 26.802 ( 0.149 0.765 0.465) 0.908 26.833 ( -0.116 -0.234 -0.162) 0.307 29.380 ( 2.917 1.421 9.423) 9.965 29.444 ( -2.048 1.472 10.393) 10.695 30.075 ( 5.550 10.138 -4.688) 12.472 30.334 ( 0.502 8.872 -11.713) 14.702 30.542 ( 1.393 -9.363 8.768) 12.903 30.785 ( -7.883 -8.312 -3.030) 11.849======================= Grid point 217 (77/100) =======================q-point: ( 0.00 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( 0.000 0.000 5.290) 5.290 1.921 ( 0.000 0.000 -6.929) 6.929 2.127 ( 0.000 0.000 4.218) 4.218 2.633 ( 0.000 0.000 13.037) 13.037 2.726 ( 0.000 0.000 -2.403) 2.403 2.738 ( 0.000 -0.000 -17.958) 17.958 3.468 ( 0.000 0.000 -8.759) 8.759 3.482 ( 0.000 0.000 0.830) 0.830 3.535 ( 0.000 0.000 -10.075) 10.075 3.862 ( 0.000 0.000 -11.854) 11.854 4.663 ( 0.000 0.000 -4.831) 4.831 5.031 ( 0.000 0.000 1.504) 1.504 5.487 ( 0.000 0.000 -2.499) 2.499 5.650 ( 0.000 0.000 -1.715) 1.715 5.908 ( 0.000 -0.000 9.189) 9.189 5.922 ( 0.000 0.000 0.963) 0.963 6.340 ( 0.000 -0.000 -0.369) 0.369 6.345 ( 0.000 0.000 -9.376) 9.376 6.358 ( 0.000 0.000 -1.338) 1.338 6.590 ( 0.000 0.000 -4.655) 4.655 7.590 ( 0.000 -0.000 0.115) 0.115 7.685 ( 0.000 0.000 1.519) 1.519 7.883 ( 0.000 0.000 3.786) 3.786 8.153 ( 0.000 0.000 0.358) 0.358 8.247 ( 0.000 0.000 0.751) 0.751 8.293 ( 0.000 0.000 0.453) 0.453 8.305 ( 0.000 0.000 0.468) 0.468 8.527 ( 0.000 0.000 -8.688) 8.688 8.747 ( 0.000 0.000 9.192) 9.192 8.898 ( 0.000 0.000 7.111) 7.111 12.544 ( 0.000 -0.000 3.656) 3.656 12.601 ( 0.000 0.000 2.862) 2.862 12.996 ( 0.000 0.000 2.396) 2.396 13.110 ( 0.000 0.000 -0.938) 0.938 16.236 ( 0.000 -0.000 2.727) 2.727 16.328 ( 0.000 0.000 -0.639) 0.639 16.533 ( 0.000 0.000 3.657) 3.657 16.759 ( 0.000 -0.000 1.023) 1.023 16.788 ( 0.000 0.000 -4.100) 4.100 16.796 ( 0.000 0.000 -2.560) 2.560 26.798 ( 0.000 0.000 0.629) 0.629 26.843 ( 0.000 0.000 -0.557) 0.557 29.209 ( 0.000 0.000 4.423) 4.423 29.559 ( 0.000 0.000 -5.962) 5.962 29.672 ( 0.000 0.000 7.592) 7.592 30.147 ( 0.000 0.000 -1.244) 1.244 30.744 ( 0.000 0.000 12.296) 12.296 31.200 ( 0.000 0.000 -9.798) 9.798======================= Grid point 219 (78/100) =======================q-point: ( 0.14 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.316 ( -6.699 0.000 4.698) 8.182 2.007 ( 2.388 0.000 -11.017) 11.272 2.409 ( 22.681 -0.000 6.225) 23.520 2.574 ( 4.089 0.000 12.957) 13.587 2.889 ( 11.559 0.000 -20.226) 23.296 2.933 ( 12.283 -0.000 3.540) 12.783 3.426 ( -1.888 0.000 1.401) 2.351 3.480 ( 2.917 0.000 -9.690) 10.120 3.662 ( 10.487 0.000 -9.211) 13.958 4.006 ( 10.598 0.000 -9.155) 14.005 4.673 ( 1.102 0.000 -6.627) 6.718 4.912 ( -7.994 0.000 -0.845) 8.039 5.549 ( -8.012 -0.000 2.296) 8.335 5.597 ( 5.163 0.000 -4.075) 6.578 5.906 ( 0.004 -0.000 2.859) 2.859 5.984 ( 2.878 0.000 3.508) 4.537 6.254 ( -3.535 -0.000 -2.440) 4.296 6.255 ( -7.898 0.000 -2.493) 8.282 6.365 ( 1.154 0.000 -5.703) 5.818 6.620 ( 2.527 0.000 -3.945) 4.685 7.628 ( 2.559 -0.000 1.167) 2.813 7.707 ( 1.948 0.000 2.366) 3.065 7.879 ( -0.967 0.000 4.049) 4.163 8.041 ( -9.457 -0.000 1.149) 9.527 8.232 ( -5.433 0.000 1.112) 5.546 8.273 ( 2.224 0.000 0.400) 2.260 8.296 ( -2.278 -0.000 -1.052) 2.509 8.451 ( -4.371 0.000 -5.466) 6.999 8.814 ( 4.677 0.000 6.793) 8.247 8.926 ( 2.233 0.000 6.459) 6.834 12.515 ( -2.544 0.000 3.551) 4.368 12.566 ( -3.037 0.000 2.769) 4.110 13.026 ( 2.492 0.000 1.854) 3.106 13.119 ( 0.729 0.000 -0.999) 1.237 16.238 ( 0.124 -0.000 2.561) 2.564 16.321 ( -0.706 0.000 -0.582) 0.915 16.497 ( -2.225 0.000 3.223) 3.916 16.693 ( -3.631 0.000 -1.468) 3.917 16.839 ( 3.009 -0.000 -2.134) 3.689 16.843 ( 2.575 0.000 -1.286) 2.879 26.799 ( 0.096 0.000 0.635) 0.642 26.841 ( -0.142 0.000 -0.500) 0.520 29.241 ( 2.798 0.000 5.520) 6.189 29.527 ( -1.619 0.000 3.478) 3.836 29.785 ( 8.969 0.000 -1.758) 9.140 30.173 ( 2.337 0.000 -1.085) 2.577 30.702 ( -3.791 0.000 11.417) 12.030 31.122 ( -7.219 0.000 -9.606) 12.016======================= Grid point 221 (79/100) =======================q-point: ( 0.29 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.254 ( 1.611 0.000 1.776) 2.398 1.889 ( -11.216 0.000 -11.250) 15.885 2.832 ( 15.393 -0.000 16.115) 22.286 2.921 ( 22.438 0.000 7.165) 23.555 3.075 ( 5.693 0.000 -7.730) 9.600 3.164 ( 9.301 -0.000 2.663) 9.675 3.503 ( 8.443 -0.000 -10.837) 13.738 3.577 ( 5.232 0.000 -7.977) 9.540 3.974 ( 18.740 0.000 -10.443) 21.453 4.205 ( 6.891 -0.000 1.042) 6.969 4.712 ( 2.558 0.000 -9.868) 10.194 4.794 ( -1.935 0.000 -9.590) 9.783 5.335 ( -11.939 0.000 4.167) 12.645 5.542 ( -9.586 0.000 -2.644) 9.944 5.910 ( -3.712 0.000 -0.766) 3.790 5.919 ( -6.112 -0.000 -1.331) 6.255 6.148 ( 0.257 -0.000 -4.124) 4.132 6.224 ( -1.710 -0.000 -7.353) 7.550 6.511 ( 13.525 0.000 2.091) 13.686 6.731 ( 9.590 0.000 -0.574) 9.607 7.640 ( -3.082 0.000 3.588) 4.729 7.692 ( -14.585 0.000 4.311) 15.209 7.774 ( 1.716 0.000 0.672) 1.843 7.926 ( -0.359 0.000 4.914) 4.927 8.057 ( -9.919 0.000 -3.806) 10.624 8.202 ( -5.865 0.000 2.408) 6.340 8.329 ( 2.822 -0.000 -0.130) 2.825 8.411 ( -0.269 0.000 -2.671) 2.685 8.906 ( 3.846 0.000 5.770) 6.934 8.971 ( 1.712 0.000 5.583) 5.840 12.454 ( -2.746 0.000 3.169) 4.193 12.493 ( -3.571 -0.000 2.491) 4.354 13.083 ( 2.660 -0.000 0.691) 2.749 13.135 ( 0.738 0.000 -1.110) 1.333 16.240 ( 0.138 0.000 2.198) 2.203 16.301 ( -1.163 0.000 -0.266) 1.193 16.478 ( 0.617 0.000 2.338) 2.418 16.624 ( -2.920 0.000 -1.435) 3.254 16.882 ( 1.132 -0.000 -0.464) 1.224 16.889 ( 1.463 0.000 -1.582) 2.155 26.803 ( 0.391 0.000 0.566) 0.688 26.836 ( -0.338 0.000 -0.315) 0.462 29.315 ( 3.964 0.000 8.143) 9.056 29.499 ( -1.303 0.000 9.463) 9.552 30.012 ( 12.120 0.000 -7.494) 14.249 30.239 ( 3.708 0.000 -0.511) 3.743 30.602 ( -5.118 0.000 8.955) 10.314 30.917 ( -11.779 0.000 -9.071) 14.867======================= Grid point 223 (80/100) =======================q-point: ( 0.43 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.378 ( 9.612 0.000 -3.704) 10.301 1.624 ( -13.021 0.000 -8.367) 15.478 3.059 ( 5.148 0.000 16.423) 17.211 3.090 ( 0.922 0.000 8.262) 8.313 3.330 ( 9.750 0.000 0.670) 9.773 3.336 ( 6.688 -0.000 -3.904) 7.744 3.647 ( 3.449 -0.000 -10.563) 11.112 3.660 ( 1.925 0.000 -3.348) 3.862 4.311 ( 4.914 0.000 1.145) 5.046 4.322 ( 9.238 -0.000 -11.184) 14.506 4.775 ( 3.840 0.000 -9.725) 10.456 4.815 ( 1.509 -0.000 -15.210) 15.285 5.131 ( -3.886 0.000 1.490) 4.162 5.271 ( -14.032 0.000 -0.723) 14.050 5.814 ( -2.844 -0.000 -2.516) 3.797 5.818 ( -2.944 0.000 -2.075) 3.602 6.173 ( 0.652 0.000 -6.713) 6.745 6.188 ( -1.226 -0.000 -7.841) 7.936 6.860 ( 18.319 0.000 4.024) 18.755 7.018 ( 14.368 0.000 3.043) 14.687 7.325 ( -16.253 0.000 3.328) 16.590 7.442 ( -14.998 0.000 3.459) 15.392 7.844 ( 3.262 0.000 -3.320) 4.654 7.908 ( -3.918 0.000 -4.867) 6.248 7.954 ( 3.358 0.000 8.875) 9.489 8.067 ( -6.635 0.000 6.561) 9.331 8.380 ( 1.888 -0.000 -0.705) 2.015 8.406 ( -0.587 0.000 -1.485) 1.597 8.968 ( 2.029 0.000 5.342) 5.715 8.990 ( -0.022 0.000 5.224) 5.224 12.416 ( -0.641 0.000 2.619) 2.696 12.431 ( -2.006 -0.000 2.336) 3.079 13.128 ( 1.465 -0.000 -0.398) 1.518 13.144 ( -0.095 0.000 -1.003) 1.008 16.250 ( 0.860 0.000 1.470) 1.703 16.274 ( -1.315 0.000 0.482) 1.401 16.514 ( 2.433 -0.000 0.972) 2.620 16.567 ( -2.577 0.000 -0.477) 2.621 16.896 ( 0.412 -0.000 -0.365) 0.551 16.902 ( -0.031 0.000 -0.898) 0.898 26.814 ( 0.608 0.000 0.332) 0.692 26.827 ( -0.549 0.000 -0.008) 0.549 29.397 ( 3.670 0.000 10.712) 11.323 29.462 ( -2.430 0.000 11.552) 11.805 30.258 ( 9.649 -0.000 -8.087) 12.590 30.312 ( 2.653 0.000 -0.467) 2.694 30.521 ( -0.978 0.000 4.064) 4.180 30.658 ( -11.936 0.000 -7.044) 13.860======================= Grid point 252 (81/100) =======================q-point: ( 0.00 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.276 ( 0.000 0.000 -3.242) 3.242 1.303 ( 0.000 0.000 18.722) 18.722 1.475 ( 0.000 0.000 -20.784) 20.784 1.811 ( 0.000 0.000 -22.066) 22.066 2.613 ( 0.000 0.000 19.096) 19.096 2.820 ( 0.000 0.000 8.064) 8.064 3.086 ( 0.000 0.000 -12.334) 12.334 3.094 ( 0.000 0.000 -26.682) 26.682 4.149 ( 0.000 0.000 20.927) 20.927 4.158 ( 0.000 0.000 7.395) 7.395 4.355 ( 0.000 0.000 -1.725) 1.725 4.391 ( 0.000 0.000 -14.360) 14.360 5.698 ( 0.000 0.000 10.260) 10.260 5.816 ( 0.000 0.000 0.900) 0.900 5.847 ( 0.000 0.000 -2.035) 2.035 5.913 ( 0.000 0.000 -9.256) 9.256 6.547 ( 0.000 0.000 4.941) 4.941 6.647 ( 0.000 0.000 5.309) 5.309 6.648 ( 0.000 0.000 -4.848) 4.848 6.881 ( 0.000 0.000 -16.229) 16.229 7.508 ( 0.000 0.000 3.214) 3.214 7.561 ( 0.000 0.000 -1.924) 1.924 7.958 ( 0.000 0.000 4.571) 4.571 8.015 ( 0.000 0.000 -2.315) 2.315 8.186 ( 0.000 0.000 8.599) 8.599 8.304 ( 0.000 0.000 -1.833) 1.833 8.505 ( 0.000 0.000 10.929) 10.929 8.764 ( 0.000 0.000 -13.552) 13.552 8.926 ( 0.000 0.000 4.531) 4.531 8.962 ( 0.000 0.000 1.266) 1.266 12.350 ( 0.000 0.000 2.939) 2.939 12.404 ( 0.000 0.000 -2.337) 2.337 13.034 ( 0.000 0.000 2.499) 2.499 13.080 ( 0.000 0.000 -1.976) 1.976 16.293 ( 0.000 0.000 1.627) 1.627 16.331 ( 0.000 0.000 -1.962) 1.962 16.623 ( 0.000 0.000 4.750) 4.750 16.721 ( 0.000 0.000 -4.820) 4.820 16.745 ( 0.000 0.000 3.302) 3.302 16.809 ( 0.000 0.000 -2.883) 2.883 26.820 ( 0.000 0.000 0.550) 0.550 26.830 ( 0.000 0.000 -0.330) 0.330 29.300 ( 0.000 0.000 8.222) 8.222 29.476 ( 0.000 0.000 3.934) 3.934 29.477 ( 0.000 0.000 -8.991) 8.991 29.562 ( 0.000 0.000 -4.402) 4.402 31.135 ( 0.000 0.000 12.884) 12.884 31.377 ( 0.000 0.000 -10.627) 10.627======================= Grid point 253 (82/100) =======================q-point: ( 0.14 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( -0.118 0.000 -8.591) 8.592 1.322 ( -7.762 0.000 -21.293) 22.664 1.672 ( 21.873 0.000 16.447) 27.367 2.127 ( 20.904 0.000 -18.568) 27.960 2.601 ( 0.618 0.000 19.588) 19.598 2.897 ( 5.799 0.000 3.021) 6.539 3.085 ( -0.417 0.000 -22.244) 22.248 3.179 ( 5.643 0.000 -13.628) 14.750 4.101 ( 0.303 0.000 6.949) 6.956 4.106 ( -0.024 0.000 12.531) 12.531 4.546 ( 13.141 0.000 -1.153) 13.191 4.548 ( 10.982 0.000 -4.310) 11.798 5.449 ( -12.376 0.000 7.183) 14.309 5.613 ( -11.907 0.000 -7.149) 13.888 5.951 ( 1.197 0.000 2.898) 3.136 6.013 ( -0.985 0.000 -3.267) 3.412 6.496 ( 3.847 0.000 5.315) 6.561 6.648 ( 3.839 0.000 -7.668) 8.576 6.746 ( 1.857 0.000 5.260) 5.579 6.939 ( 1.697 0.000 -13.439) 13.546 7.492 ( -0.786 0.000 4.883) 4.946 7.575 ( 1.818 0.000 -3.357) 3.818 7.968 ( 0.737 0.000 5.036) 5.089 8.023 ( 0.499 0.000 -1.979) 2.041 8.156 ( -3.026 0.000 8.379) 8.908 8.274 ( -2.518 0.000 -1.501) 2.932 8.406 ( -8.050 0.000 8.449) 11.670 8.625 ( -12.232 0.000 -11.731) 16.949 8.966 ( 3.090 0.000 3.949) 5.014 8.997 ( 2.551 0.000 0.824) 2.681 12.347 ( -0.255 0.000 2.717) 2.729 12.396 ( -0.734 0.000 -2.070) 2.197 13.078 ( 3.889 0.000 2.662) 4.713 13.126 ( 3.988 0.000 -2.055) 4.487 16.282 ( -1.012 0.000 1.185) 1.558 16.299 ( -2.557 0.000 -0.215) 2.566 16.610 ( -1.062 0.000 2.499) 2.715 16.656 ( -3.356 0.000 -1.147) 3.546 16.803 ( 2.727 0.000 -0.256) 2.739 16.826 ( 1.345 0.000 -1.895) 2.324 26.814 ( -0.527 0.000 0.615) 0.810 26.824 ( -0.459 0.000 -0.380) 0.596 29.321 ( 1.631 0.000 5.483) 5.720 29.431 ( -2.803 0.000 -5.068) 5.792 29.486 ( 1.006 0.000 4.893) 4.995 29.610 ( 2.804 0.000 -7.253) 7.776 31.125 ( -0.734 0.000 11.980) 12.003 31.345 ( -2.797 0.000 -9.385) 9.793======================= Grid point 254 (83/100) =======================q-point: ( 0.29 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.217 ( 3.017 0.000 -18.997) 19.235 1.223 ( -1.684 0.000 -18.562) 18.638 2.087 ( 15.595 0.000 16.291) 22.552 2.462 ( 7.898 0.000 -8.279) 11.442 2.706 ( 9.823 0.000 17.628) 20.180 2.984 ( 1.738 0.000 -5.525) 5.792 3.128 ( 5.349 0.000 -16.660) 17.497 3.216 ( -1.780 0.000 -11.860) 11.993 4.202 ( 7.585 0.000 6.716) 10.131 4.233 ( 9.748 0.000 2.000) 9.951 4.736 ( 5.486 0.000 3.795) 6.670 4.793 ( 8.239 0.000 -2.577) 8.633 5.317 ( 1.363 0.000 5.691) 5.852 5.458 ( -0.829 0.000 -5.860) 5.918 5.899 ( -6.559 0.000 -0.647) 6.591 5.910 ( -0.595 0.000 -0.907) 1.085 6.616 ( -7.839 0.000 7.355) 10.749 6.731 ( 9.336 0.000 4.607) 10.411 6.745 ( -3.842 0.000 -3.798) 5.403 6.925 ( 3.971 0.000 -13.033) 13.625 7.500 ( 1.081 0.000 7.233) 7.314 7.636 ( 3.139 0.000 -5.621) 6.438 7.963 ( -2.887 0.000 9.122) 9.568 8.026 ( -0.314 0.000 -1.102) 1.146 8.055 ( -5.037 0.000 2.797) 5.761 8.209 ( -5.051 0.000 -4.322) 6.648 8.254 ( -4.773 0.000 2.535) 5.405 8.305 ( -15.260 0.000 -4.952) 16.044 9.031 ( 2.755 0.000 2.838) 3.956 9.049 ( 2.148 0.000 0.923) 2.338 12.342 ( -0.124 0.000 2.017) 2.021 12.377 ( -1.033 0.000 -1.330) 1.684 13.177 ( 5.021 0.000 2.659) 5.682 13.221 ( 4.323 0.000 -1.563) 4.597 16.246 ( -2.093 0.000 1.684) 2.686 16.255 ( -1.424 0.000 0.543) 1.524 16.586 ( -1.120 0.000 0.248) 1.147 16.598 ( -2.106 0.000 -0.514) 2.168 16.847 ( 1.453 0.000 -0.683) 1.605 16.853 ( 1.013 0.000 -1.067) 1.471 26.803 ( -0.375 0.000 0.557) 0.671 26.813 ( -0.529 0.000 -0.372) 0.647 29.351 ( 1.005 0.000 1.407) 1.729 29.383 ( -1.629 0.000 -1.705) 2.358 29.518 ( 1.977 0.000 4.741) 5.137 29.645 ( 0.227 0.000 -7.496) 7.499 31.119 ( 0.365 0.000 9.084) 9.091 31.274 ( -3.642 0.000 -5.991) 7.012======================= Grid point 255 (84/100) =======================q-point: ( 0.43 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( 1.515 0.000 -17.518) 17.583 1.252 ( 0.044 0.000 -19.772) 19.772 2.330 ( 8.777 0.000 10.349) 13.570 2.472 ( -4.512 0.000 2.485) 5.151 2.926 ( 7.594 0.000 12.526) 14.648 2.993 ( -0.658 0.000 2.526) 2.610 3.190 ( 1.252 0.000 -12.887) 12.947 3.223 ( 1.224 0.000 -17.623) 17.665 4.319 ( 3.026 0.000 1.276) 3.284 4.355 ( 0.583 0.000 -2.310) 2.383 4.838 ( 5.120 0.000 1.589) 5.360 4.883 ( 1.422 0.000 -3.414) 3.698 5.413 ( 4.759 0.000 3.659) 6.003 5.490 ( -1.412 0.000 -3.374) 3.657 5.915 ( 11.486 0.000 7.605) 13.776 6.045 ( 12.517 0.000 -3.425) 12.977 6.306 ( -16.548 0.000 7.100) 18.007 6.455 ( -18.468 0.000 -5.045) 19.145 6.980 ( 10.903 0.000 5.535) 12.228 7.083 ( 3.813 0.000 -1.889) 4.255 7.525 ( 3.236 0.000 1.797) 3.702 7.652 ( -3.599 0.000 -7.336) 8.171 7.860 ( -2.973 0.000 3.835) 4.852 7.928 ( -11.506 0.000 -3.083) 11.912 8.016 ( -0.356 0.000 -0.755) 0.834 8.018 ( -0.635 0.000 -0.986) 1.173 8.203 ( -0.823 0.000 1.310) 1.547 8.204 ( -0.867 0.000 1.338) 1.595 9.074 ( 1.204 0.000 1.907) 2.255 9.080 ( 0.630 0.000 1.272) 1.419 12.344 ( 0.333 0.000 0.941) 0.998 12.356 ( -0.824 0.000 -0.259) 0.863 13.265 ( 2.809 0.000 1.739) 3.304 13.282 ( 1.195 0.000 -0.010) 1.195 16.220 ( -0.327 0.000 1.631) 1.663 16.229 ( -0.976 0.000 0.765) 1.240 16.568 ( -0.484 0.000 -0.345) 0.595 16.569 ( -0.648 0.000 -0.332) 0.728 16.866 ( 0.420 0.000 -0.849) 0.947 16.866 ( 0.309 0.000 -0.885) 0.937 26.800 ( 0.029 0.000 0.238) 0.240 26.804 ( -0.336 0.000 -0.142) 0.365 29.361 ( 0.077 0.000 0.665) 0.669 29.363 ( -0.352 0.000 0.269) 0.443 29.567 ( 2.619 0.000 0.269) 2.633 29.621 ( -2.224 0.000 -4.739) 5.235 31.145 ( 2.108 0.000 4.345) 4.829 31.201 ( -3.160 0.000 -1.107) 3.348======================= Grid point 259 (85/100) =======================q-point: ( 0.00 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( 0.000 4.563 15.713) 16.362 1.433 ( 0.000 11.479 3.348) 11.957 1.771 ( 0.000 21.638 -25.857) 33.717 1.829 ( 0.000 1.511 -22.930) 22.980 2.804 ( 0.000 17.045 18.539) 25.184 2.848 ( 0.000 2.561 9.267) 9.614 3.096 ( 0.000 0.455 -9.960) 9.971 3.225 ( 0.000 11.727 -21.906) 24.847 4.002 ( 0.000 -13.856 7.008) 15.527 4.129 ( 0.000 -0.064 20.936) 20.936 4.247 ( 0.000 -12.906 -15.802) 20.403 4.349 ( 0.000 0.333 -3.269) 3.286 5.700 ( 0.000 0.442 9.354) 9.364 5.752 ( 0.000 -4.946 3.112) 5.843 5.822 ( 0.000 -2.912 -3.554) 4.594 5.855 ( 0.000 -4.356 -4.325) 6.138 6.470 ( 0.000 -5.276 4.297) 6.804 6.561 ( 0.000 -6.312 -4.400) 7.695 6.625 ( 0.000 -2.906 0.737) 2.998 6.807 ( 0.000 -6.747 -15.683) 17.072 7.670 ( 0.000 12.907 3.082) 13.269 7.722 ( 0.000 12.700 -2.030) 12.862 7.929 ( 0.000 -2.336 5.014) 5.532 7.982 ( 0.000 -1.697 -1.257) 2.112 8.202 ( 0.000 0.451 7.277) 7.291 8.300 ( 0.000 -0.446 -0.883) 0.989 8.473 ( 0.000 -3.282 9.462) 10.015 8.721 ( 0.000 -4.764 -13.224) 14.056 8.922 ( 0.000 -0.355 4.762) 4.776 8.962 ( 0.000 0.034 1.059) 1.060 12.384 ( 0.000 3.099 3.242) 4.484 12.443 ( 0.000 3.393 -2.540) 4.239 13.036 ( 0.000 0.113 2.480) 2.483 13.081 ( 0.000 0.068 -1.947) 1.949 16.264 ( 0.000 -2.057 2.412) 3.170 16.315 ( 0.000 -1.083 -2.485) 2.711 16.622 ( 0.000 -0.112 4.660) 4.662 16.718 ( 0.000 -0.263 -4.748) 4.755 16.757 ( 0.000 0.793 3.171) 3.269 16.818 ( 0.000 0.608 -2.723) 2.790 26.816 ( 0.000 -0.291 0.705) 0.762 26.829 ( 0.000 -0.074 -0.497) 0.503 29.301 ( 0.000 0.120 7.882) 7.883 29.471 ( 0.000 -0.535 -8.627) 8.644 29.533 ( 0.000 5.164 5.352) 7.437 29.649 ( 0.000 7.404 -5.834) 9.427 31.099 ( 0.000 -3.152 12.292) 12.689 31.326 ( 0.000 -4.428 -9.840) 10.791======================= Grid point 260 (86/100) =======================q-point: ( 0.14 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( -3.054 9.795 -1.137) 10.323 1.472 ( 1.178 12.096 -6.533) 13.798 1.804 ( 11.696 11.184 -3.590) 16.576 2.132 ( 18.714 0.971 -19.358) 26.943 2.780 ( 0.038 15.305 18.287) 23.847 2.934 ( 6.610 3.388 5.487) 9.235 3.192 ( 2.134 6.785 -12.916) 14.745 3.244 ( 5.021 8.534 -17.352) 19.978 3.963 ( -0.102 -11.524 7.778) 13.904 4.060 ( -0.481 -5.257 5.276) 7.463 4.426 ( 11.215 -7.584 1.236) 13.595 4.509 ( 12.332 -3.060 -3.703) 13.235 5.477 ( -9.527 2.327 7.963) 12.633 5.644 ( -6.972 1.343 -7.083) 10.029 5.919 ( 2.375 -2.233 4.164) 5.288 6.002 ( 2.381 -1.734 -3.282) 4.410 6.370 ( -1.031 -9.076 5.681) 10.756 6.518 ( 0.661 -9.525 -6.475) 11.537 6.710 ( 2.021 -3.822 1.441) 4.557 6.859 ( 1.893 -7.201 -12.698) 14.720 7.638 ( -2.998 11.381 5.201) 12.867 7.721 ( 0.146 10.684 -3.090) 11.123 7.931 ( -0.065 -2.339 4.879) 5.411 7.982 ( -0.174 -1.720 -1.164) 2.085 8.185 ( -1.540 1.026 6.200) 6.470 8.269 ( -2.561 -0.479 -0.344) 2.628 8.391 ( -6.734 -1.608 7.940) 10.534 8.611 ( -9.638 -2.488 -11.794) 15.434 8.961 ( 3.011 -0.495 4.060) 5.078 8.994 ( 2.461 -0.237 0.788) 2.595 12.376 ( -0.624 2.719 3.031) 4.119 12.431 ( -1.101 3.004 -2.251) 3.911 13.074 ( 3.399 -0.327 2.614) 4.300 13.121 ( 3.541 -0.404 -2.028) 4.100 16.255 ( -0.844 -1.753 2.154) 2.902 16.292 ( -1.919 -0.616 -1.254) 2.373 16.603 ( -1.434 -0.569 2.950) 3.329 16.661 ( -3.200 0.171 -2.067) 3.813 16.804 ( 2.336 0.211 0.933) 2.524 16.843 ( 1.826 1.098 -2.350) 3.173 26.811 ( -0.416 -0.177 0.751) 0.877 26.825 ( -0.350 0.028 -0.545) 0.648 29.330 ( 2.296 0.678 6.029) 6.487 29.454 ( -1.048 1.487 -5.867) 6.143 29.539 ( 0.516 4.930 5.769) 7.606 29.679 ( 2.216 6.428 -7.737) 10.300 31.083 ( -1.327 -3.752 11.523) 12.191 31.291 ( -3.146 -4.791 -8.742) 10.454======================= Grid point 261 (87/100) =======================q-point: ( 0.29 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( -1.105 7.462 -5.238) 9.184 1.444 ( -2.106 14.659 -19.350) 24.367 2.133 ( 15.251 4.015 9.682) 18.505 2.448 ( 9.151 -0.466 -9.599) 13.270 2.851 ( 6.528 12.532 15.448) 20.936 3.052 ( 3.933 5.310 -0.586) 6.634 3.205 ( 0.922 7.372 -10.677) 13.008 3.318 ( 0.831 9.568 -16.001) 18.662 4.060 ( 7.496 -11.153 5.641) 14.574 4.147 ( 6.359 -8.559 -2.358) 10.921 4.666 ( 12.140 -2.990 7.939) 14.810 4.772 ( 11.467 -2.089 -3.802) 12.260 5.383 ( 1.144 5.275 8.265) 9.872 5.563 ( -1.865 6.120 -7.825) 10.108 5.864 ( -3.569 -1.717 1.189) 4.135 5.921 ( -4.432 -0.240 -3.708) 5.784 6.473 ( 1.671 -12.387 7.725) 14.694 6.599 ( 3.729 -12.405 -2.262) 13.149 6.673 ( -2.630 -3.575 2.241) 4.972 6.867 ( 2.312 -4.972 -13.402) 14.480 7.537 ( -6.937 3.096 10.572) 13.018 7.711 ( -2.445 3.098 -5.917) 7.112 7.923 ( -0.327 -0.629 3.649) 3.717 7.970 ( -0.698 -0.175 -1.448) 1.617 8.139 ( -2.919 2.640 5.040) 6.395 8.215 ( -2.485 0.919 -0.854) 2.784 8.252 ( -5.043 0.751 3.862) 6.396 8.371 ( -11.413 2.716 -7.677) 14.021 9.025 ( 2.773 -0.530 2.863) 4.021 9.046 ( 2.127 -0.337 0.791) 2.294 12.363 ( -0.544 1.927 2.383) 3.113 12.403 ( -1.391 2.251 -1.514) 3.048 13.159 ( 4.182 -1.532 2.786) 5.253 13.207 ( 3.995 -1.263 -1.848) 4.580 16.233 ( -1.142 -0.768 1.891) 2.339 16.251 ( -1.628 -0.214 0.066) 1.644 16.574 ( -1.224 -0.797 1.255) 1.926 16.606 ( -1.843 0.272 -1.680) 2.509 16.840 ( 1.115 0.056 1.105) 1.571 16.877 ( 1.232 1.390 -2.310) 2.964 26.803 ( -0.324 0.001 0.742) 0.810 26.817 ( -0.360 0.264 -0.586) 0.737 29.374 ( 1.493 2.025 3.486) 4.299 29.443 ( -0.034 4.497 -2.534) 5.162 29.558 ( 1.465 4.094 5.246) 6.814 29.711 ( 0.405 6.165 -8.889) 10.825 31.061 ( -0.390 -5.169 8.944) 10.338 31.211 ( -4.058 -5.620 -5.684) 8.964======================= Grid point 262 (88/100) =======================q-point: ( 0.43 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.279 ( 0.093 6.056 -7.669) 9.772 1.409 ( -1.025 10.168 -18.724) 21.331 2.366 ( 6.346 2.745 10.858) 12.873 2.524 ( 0.036 4.572 0.840) 4.649 2.979 ( 3.343 8.356 6.771) 11.263 3.120 ( 2.488 2.768 -1.561) 4.036 3.214 ( 0.708 10.973 -8.369) 13.818 3.332 ( 0.198 7.252 -13.143) 15.012 4.172 ( 2.411 -10.236 0.097) 10.517 4.218 ( 0.497 -10.432 -4.124) 11.228 4.928 ( 10.014 5.904 3.208) 12.059 4.974 ( 6.991 5.898 -2.226) 9.413 5.420 ( -0.063 0.297 3.072) 3.087 5.483 ( -5.720 -0.738 -2.543) 6.303 5.887 ( 9.879 -2.835 7.182) 12.539 6.025 ( 9.172 -4.083 -3.834) 10.747 6.272 ( -12.336 -2.235 5.667) 13.758 6.442 ( -13.800 -3.621 -8.593) 16.655 6.819 ( 8.903 -9.407 9.328) 15.962 7.011 ( 6.293 -5.398 -6.078) 10.281 7.384 ( -4.553 -8.139 7.038) 11.684 7.576 ( -8.690 -7.016 -8.595) 14.094 7.939 ( 1.945 4.376 2.558) 5.429 7.970 ( 0.200 5.802 -0.496) 5.826 8.073 ( -2.413 3.785 2.793) 5.287 8.129 ( -4.600 3.850 -2.036) 6.335 8.208 ( -0.107 1.296 0.852) 1.555 8.227 ( -2.232 2.848 -1.278) 3.837 9.068 ( 1.214 -0.494 1.874) 2.287 9.075 ( 0.617 -0.384 1.083) 1.305 12.357 ( -0.038 1.295 1.499) 1.982 12.379 ( -0.765 1.780 -0.614) 2.032 13.227 ( 1.888 -2.809 2.692) 4.325 13.269 ( 1.605 -1.627 -1.292) 2.625 16.216 ( -0.331 -0.104 1.584) 1.622 16.227 ( -0.685 0.028 0.537) 0.871 16.555 ( -0.459 -0.593 0.867) 1.146 16.583 ( -0.512 0.386 -1.668) 1.787 16.854 ( 0.262 -0.102 1.267) 1.298 16.893 ( 0.351 1.376 -2.468) 2.848 26.798 ( -0.084 0.061 0.643) 0.651 26.811 ( -0.141 0.479 -0.553) 0.745 29.393 ( 0.545 3.551 3.608) 5.092 29.442 ( -0.197 5.650 0.399) 5.668 29.599 ( 2.010 3.740 0.389) 4.264 29.695 ( -1.472 6.516 -7.387) 9.959 31.074 ( 1.584 -6.404 4.547) 8.012 31.133 ( -3.123 -6.163 -1.202) 7.012======================= Grid point 266 (89/100) =======================q-point: ( 0.00 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.485 ( 0.000 7.551 8.491) 11.363 1.647 ( 0.000 7.942 15.791) 17.676 1.866 ( 0.000 1.884 -23.100) 23.177 2.179 ( 0.000 14.971 -32.374) 35.668 2.911 ( 0.000 2.205 10.032) 10.272 3.063 ( 0.000 -4.995 -1.224) 5.143 3.186 ( 0.000 13.865 18.126) 22.820 3.497 ( 0.000 10.404 -11.984) 15.870 3.649 ( 0.000 -16.663 4.178) 17.178 3.907 ( 0.000 -16.755 -18.683) 25.096 4.269 ( 0.000 15.081 14.423) 20.868 4.439 ( 0.000 9.862 -4.620) 10.890 5.636 ( 0.000 -5.425 4.739) 7.204 5.733 ( 0.000 -4.986 -4.375) 6.634 5.736 ( 0.000 3.223 8.118) 8.734 5.792 ( 0.000 0.541 2.196) 2.261 6.379 ( 0.000 -3.042 2.506) 3.942 6.439 ( 0.000 -4.706 -3.187) 5.683 6.498 ( 0.000 -9.049 -3.570) 9.728 6.627 ( 0.000 -8.781 -15.568) 17.873 7.883 ( 0.000 -2.839 4.981) 5.733 7.933 ( 0.000 -3.993 -0.869) 4.087 7.962 ( 0.000 13.108 2.391) 13.324 8.003 ( 0.000 12.402 -1.707) 12.519 8.201 ( 0.000 -0.306 7.979) 7.985 8.260 ( 0.000 -3.804 5.076) 6.343 8.381 ( 0.000 -4.132 -0.152) 4.134 8.543 ( 0.000 -11.318 -11.788) 16.341 8.914 ( 0.000 -0.335 5.302) 5.313 8.964 ( 0.000 0.174 0.619) 0.643 12.471 ( 0.000 4.708 3.424) 5.821 12.530 ( 0.000 4.256 -2.250) 4.814 13.039 ( 0.000 0.175 2.407) 2.413 13.082 ( 0.000 0.072 -1.854) 1.855 16.237 ( 0.000 -0.086 3.275) 3.276 16.302 ( 0.000 0.070 -2.963) 2.964 16.619 ( 0.000 -0.174 4.454) 4.458 16.711 ( 0.000 -0.374 -4.581) 4.596 16.765 ( 0.000 -0.130 2.869) 2.871 16.821 ( 0.000 -0.505 -2.472) 2.523 26.812 ( 0.000 -0.096 0.815) 0.821 26.827 ( 0.000 -0.026 -0.676) 0.676 29.305 ( 0.000 0.217 7.010) 7.013 29.456 ( 0.000 -0.798 -7.696) 7.737 29.671 ( 0.000 7.074 7.682) 10.443 29.832 ( 0.000 8.860 -7.759) 11.778 31.020 ( 0.000 -3.847 10.687) 11.358 31.211 ( 0.000 -5.860 -8.126) 10.019======================= Grid point 267 (90/100) =======================q-point: ( 0.14 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( -1.808 7.309 16.508) 18.144 1.729 ( 8.045 10.290 0.808) 13.087 2.000 ( 7.447 5.125 -17.836) 19.996 2.220 ( 8.394 7.928 -26.379) 28.795 3.011 ( 7.640 2.563 7.702) 11.147 3.070 ( 2.083 6.057 9.223) 11.229 3.321 ( 8.832 6.613 2.769) 11.375 3.475 ( 1.149 5.937 -4.413) 7.486 3.685 ( 2.362 -10.544 0.177) 10.807 3.896 ( 0.733 -8.069 -13.596) 15.827 4.402 ( 10.791 8.014 8.715) 16.019 4.506 ( 6.791 4.464 -2.746) 8.578 5.525 ( -5.250 1.662 6.470) 8.496 5.630 ( -3.153 -2.143 -3.210) 4.984 5.883 ( 5.572 -0.999 3.973) 6.916 5.945 ( 7.942 -1.732 -0.081) 8.129 6.218 ( -8.767 -4.550 3.330) 10.424 6.336 ( -5.547 -6.555 -5.704) 10.309 6.569 ( 1.716 -9.408 -1.403) 9.666 6.675 ( 2.645 -8.430 -12.459) 15.274 7.841 ( -5.886 2.439 5.149) 8.192 7.887 ( -3.028 2.500 0.724) 3.993 7.954 ( -2.339 4.837 1.981) 5.726 7.987 ( -0.144 4.930 -0.180) 4.935 8.196 ( -1.216 0.070 4.662) 4.819 8.239 ( -0.772 -1.627 3.685) 4.102 8.343 ( -2.961 -2.413 0.789) 3.900 8.484 ( -5.086 -9.018 -10.255) 14.572 8.949 ( 2.857 -0.468 4.389) 5.257 8.991 ( 2.158 -0.038 0.552) 2.227 12.454 ( -1.511 4.187 3.212) 5.489 12.507 ( -1.974 3.746 -1.953) 4.663 13.067 ( 2.405 -0.301 2.386) 3.401 13.111 ( 2.477 -0.571 -1.882) 3.163 16.235 ( -0.187 0.169 2.885) 2.896 16.287 ( -1.299 0.370 -2.036) 2.443 16.589 ( -2.050 -0.715 3.335) 3.980 16.657 ( -3.220 -0.428 -3.044) 4.451 16.808 ( 2.425 0.020 1.977) 3.129 16.857 ( 2.435 0.067 -2.534) 3.515 26.809 ( -0.202 0.023 0.842) 0.866 26.826 ( -0.151 0.067 -0.710) 0.729 29.345 ( 3.428 0.750 6.476) 7.366 29.477 ( 1.978 0.750 -5.942) 6.308 29.678 ( 0.582 7.348 7.321) 10.388 29.852 ( 1.649 8.723 -8.964) 12.616 30.986 ( -2.896 -4.762 10.229) 11.648 31.164 ( -4.138 -6.489 -7.332) 10.630======================= Grid point 268 (91/100) =======================q-point: ( 0.29 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.455 ( -1.836 7.963 14.085) 16.283 1.739 ( -5.385 11.704 -9.279) 15.877 2.234 ( 13.220 5.419 -4.629) 15.019 2.470 ( 11.154 2.791 -17.568) 20.996 3.133 ( 4.344 8.928 10.080) 14.149 3.176 ( 6.229 7.215 2.469) 9.846 3.384 ( 0.566 8.028 1.527) 8.192 3.589 ( 2.113 12.370 -13.339) 18.314 3.799 ( 10.555 -11.722 4.768) 16.478 3.970 ( 5.232 -3.882 -10.385) 12.259 4.661 ( 14.094 2.409 7.238) 16.026 4.733 ( 14.328 -1.744 -1.589) 14.521 5.470 ( -0.298 1.801 7.268) 7.494 5.601 ( -1.494 -3.228 -4.584) 5.802 5.856 ( -6.750 0.791 -0.930) 6.860 5.898 ( -7.707 -1.254 -3.789) 8.679 6.225 ( 2.660 -8.748 5.611) 10.728 6.317 ( 2.661 -11.599 -3.541) 12.416 6.568 ( 1.565 -6.208 4.063) 7.582 6.749 ( 6.045 -4.818 -12.060) 14.325 7.617 ( -14.619 4.197 8.128) 17.245 7.737 ( -11.636 1.434 -3.381) 12.202 7.941 ( 1.414 -0.028 4.360) 4.584 7.992 ( 0.590 -0.699 -0.365) 0.985 8.160 ( -1.866 0.318 4.077) 4.495 8.231 ( -0.691 1.244 -2.269) 2.678 8.291 ( -1.732 1.886 1.562) 3.000 8.362 ( -5.521 -3.062 -5.141) 8.142 9.012 ( 2.783 -0.561 2.956) 4.098 9.038 ( 1.986 -0.326 0.605) 2.102 12.418 ( -1.597 3.024 2.629) 4.314 12.459 ( -2.331 2.690 -1.291) 3.787 13.124 ( 2.661 -1.547 2.567) 4.008 13.172 ( 2.938 -1.877 -2.060) 4.049 16.231 ( -0.198 0.754 2.028) 2.173 16.257 ( -1.315 0.854 -0.436) 1.628 16.554 ( -1.132 -0.991 1.938) 2.454 16.603 ( -1.833 -0.540 -2.624) 3.246 16.846 ( 1.157 0.366 2.310) 2.610 16.899 ( 1.392 0.499 -2.698) 3.077 26.805 ( -0.143 0.246 0.865) 0.911 26.822 ( -0.122 0.255 -0.759) 0.809 29.424 ( 3.620 2.491 6.271) 7.657 29.531 ( 2.612 3.607 -1.890) 4.838 29.696 ( 1.367 8.115 4.906) 9.580 29.883 ( 0.822 9.065 -10.978) 14.260 30.921 ( -2.636 -7.252 8.541) 11.511 31.058 ( -5.391 -8.092 -5.022) 10.944======================= Grid point 269 (92/100) =======================q-point: ( 0.43 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( 0.012 8.286 8.609) 11.949 1.627 ( -3.731 9.837 -5.856) 12.041 2.435 ( 5.009 4.297 1.543) 6.778 2.626 ( 3.671 4.273 -11.407) 12.722 3.195 ( 1.420 8.039 4.849) 9.495 3.286 ( 3.253 15.390 -0.661) 15.744 3.420 ( 3.065 5.849 -0.362) 6.613 3.557 ( -3.314 10.583 -9.132) 14.366 3.993 ( 5.803 -4.560 -2.304) 7.731 4.042 ( 0.776 -2.606 -6.800) 7.324 4.998 ( 16.371 -0.785 5.339) 17.237 5.059 ( 14.588 0.706 -1.411) 14.673 5.400 ( -8.875 -3.362 3.795) 10.221 5.451 ( -11.351 -3.200 -1.362) 11.872 5.777 ( 1.446 -7.134 2.779) 7.791 5.850 ( 1.101 -9.219 -3.077) 9.781 6.195 ( -1.734 -5.911 -0.181) 6.162 6.261 ( -6.213 -9.350 -5.809) 12.640 6.759 ( 12.277 2.601 8.506) 15.161 6.941 ( 9.719 -0.804 -7.991) 12.608 7.290 ( -13.921 0.078 8.722) 16.428 7.461 ( -11.953 -2.565 -6.719) 13.950 7.991 ( 2.549 -1.199 2.453) 3.735 8.008 ( 0.709 -2.938 0.704) 3.103 8.125 ( -0.951 1.743 3.488) 4.013 8.170 ( -4.318 0.676 -1.694) 4.688 8.276 ( 0.314 4.423 0.006) 4.434 8.299 ( -1.003 2.939 -1.545) 3.469 9.056 ( 1.241 -0.554 1.856) 2.300 9.065 ( 0.560 -0.494 0.925) 1.189 12.395 ( -0.535 2.086 1.885) 2.862 12.420 ( -1.103 1.917 -0.555) 2.280 13.165 ( 1.102 -2.658 2.840) 4.042 13.218 ( 1.254 -2.812 -2.257) 3.818 16.227 ( -0.165 1.154 1.452) 1.862 16.239 ( -0.370 1.167 0.317) 1.265 16.540 ( -0.274 -0.783 1.338) 1.574 16.580 ( -0.449 -0.564 -2.413) 2.518 16.859 ( 0.207 0.471 2.600) 2.650 16.916 ( 0.339 0.609 -2.880) 2.963 26.804 ( -0.031 0.394 0.857) 0.944 26.821 ( -0.034 0.384 -0.772) 0.862 29.487 ( 2.145 4.822 7.107) 8.852 29.558 ( -0.070 4.913 4.231) 6.484 29.742 ( 2.450 9.122 -2.095) 9.675 29.875 ( -1.295 9.634 -10.991) 14.672 30.896 ( 0.221 -9.723 5.074) 10.969 30.961 ( -3.388 -9.455 -1.418) 10.144======================= Grid point 273 (93/100) =======================q-point: ( 0.00 0.38 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( 0.000 7.424 1.232) 7.525 1.776 ( 0.000 4.381 25.887) 26.255 1.907 ( 0.000 1.809 -20.422) 20.502 2.404 ( 0.000 6.644 -31.116) 31.818 2.816 ( 0.000 -10.851 10.764) 15.284 2.917 ( 0.000 -7.479 1.496) 7.627 3.359 ( 0.000 5.221 14.770) 15.666 3.408 ( 0.000 -4.772 2.659) 5.463 3.584 ( 0.000 -1.565 -6.733) 6.913 3.649 ( 0.000 -6.575 -17.544) 18.736 4.612 ( 0.000 11.720 6.959) 13.630 4.749 ( 0.000 15.530 -5.553) 16.493 5.541 ( 0.000 -3.248 4.172) 5.287 5.633 ( 0.000 -3.886 -4.307) 5.801 5.845 ( 0.000 8.426 9.717) 12.862 5.950 ( 0.000 12.200 3.306) 12.640 6.284 ( 0.000 -9.088 -1.253) 9.174 6.338 ( 0.000 -0.970 0.821) 1.271 6.365 ( 0.000 -2.342 -1.716) 2.903 6.490 ( 0.000 -3.676 -16.509) 16.914 7.701 ( 0.000 -12.623 5.669) 13.837 7.807 ( 0.000 -9.718 -3.942) 10.487 8.156 ( 0.000 -5.529 8.030) 9.749 8.186 ( 0.000 7.442 1.432) 7.579 8.199 ( 0.000 0.333 6.136) 6.145 8.212 ( 0.000 6.842 -1.108) 6.931 8.291 ( 0.000 -3.695 -4.176) 5.576 8.374 ( 0.000 -2.478 -9.416) 9.736 8.910 ( 0.000 -0.057 5.843) 5.843 8.970 ( 0.000 0.261 0.272) 0.377 12.564 ( 0.000 3.579 2.908) 4.611 12.605 ( 0.000 2.492 -1.005) 2.687 13.042 ( 0.000 0.138 2.290) 2.294 13.084 ( 0.000 0.030 -1.719) 1.719 16.260 ( 0.000 1.890 2.992) 3.538 16.313 ( 0.000 0.634 -2.081) 2.175 16.615 ( 0.000 -0.134 4.263) 4.265 16.704 ( 0.000 -0.266 -4.423) 4.431 16.757 ( 0.000 -0.290 1.758) 1.782 16.797 ( 0.000 -1.616 -1.948) 2.531 26.812 ( 0.000 0.057 0.805) 0.807 26.828 ( 0.000 0.060 -0.751) 0.754 29.310 ( 0.000 0.202 6.036) 6.039 29.440 ( 0.000 -0.608 -6.666) 6.693 29.802 ( 0.000 4.658 9.272) 10.376 29.988 ( 0.000 5.274 -8.333) 9.862 30.956 ( 0.000 -1.904 8.413) 8.626 31.101 ( 0.000 -4.087 -6.318) 7.524======================= Grid point 274 (94/100) =======================q-point: ( 0.14 0.38 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.658 ( -1.808 6.934 25.139) 26.140 1.866 ( 8.067 2.454 7.466) 11.262 2.101 ( 14.195 5.549 -22.367) 27.066 2.388 ( 1.631 6.389 -29.442) 30.172 2.925 ( 9.227 -8.737 8.750) 15.429 3.045 ( 10.841 -7.283 -0.293) 13.064 3.399 ( 3.714 2.018 6.978) 8.158 3.468 ( 5.210 0.963 10.671) 11.914 3.594 ( 4.965 -1.967 -5.632) 7.762 3.806 ( 10.787 -2.818 -16.917) 20.260 4.617 ( 0.839 8.073 5.537) 9.826 4.718 ( -2.002 11.553 -3.467) 12.227 5.536 ( -1.853 0.064 3.417) 3.888 5.594 ( -2.643 -1.420 -1.769) 3.483 5.900 ( 3.482 3.760 6.062) 7.938 6.003 ( 2.681 5.325 0.059) 5.962 6.165 ( -7.133 -0.181 0.714) 7.171 6.247 ( -7.405 -2.210 -4.746) 9.068 6.368 ( 1.055 -6.965 3.044) 7.674 6.548 ( 4.295 -3.347 -13.301) 14.373 7.727 ( 1.814 -10.053 5.227) 11.475 7.817 ( 0.655 -7.877 -3.161) 8.513 8.045 ( -10.039 2.106 4.892) 11.364 8.127 ( -6.291 4.784 0.357) 7.911 8.160 ( -1.520 -2.548 5.168) 5.959 8.261 ( 1.175 2.191 -1.130) 2.731 8.284 ( 0.770 -1.977 -1.037) 2.361 8.344 ( -1.801 -1.814 -6.564) 7.044 8.943 ( 2.724 -0.103 4.824) 5.541 8.993 ( 1.898 0.168 0.302) 1.929 12.536 ( -2.395 3.208 2.715) 4.837 12.573 ( -2.755 2.200 -0.791) 3.613 13.063 ( 1.711 -0.073 1.967) 2.608 13.099 ( 1.390 -0.438 -1.583) 2.152 16.260 ( -0.024 1.813 2.593) 3.164 16.303 ( -0.879 0.839 -1.539) 1.961 16.575 ( -2.600 -0.569 3.536) 4.426 16.647 ( -3.385 -0.496 -3.322) 4.769 16.807 ( 2.943 0.076 1.379) 3.251 16.845 ( 3.011 -1.114 -2.062) 3.815 26.811 ( -0.020 0.131 0.801) 0.812 26.827 ( -0.046 0.087 -0.738) 0.744 29.359 ( 4.394 0.529 6.551) 7.906 29.490 ( 4.416 0.440 -5.629) 7.168 29.815 ( 1.261 4.955 8.495) 9.915 30.008 ( 1.746 5.293 -9.175) 10.735 30.905 ( -4.536 -2.457 8.059) 9.569 31.040 ( -5.449 -4.699 -5.704) 9.182======================= Grid point 275 (95/100) =======================q-point: ( 0.29 0.38 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.618 ( -1.247 6.897 29.143) 29.973 1.901 ( -4.494 3.357 8.535) 10.213 2.386 ( 12.152 8.732 -23.139) 27.556 2.551 ( 10.289 3.862 -28.876) 30.896 3.151 ( 11.165 -2.458 8.252) 14.099 3.290 ( 10.759 -3.889 -2.306) 11.670 3.486 ( 4.755 6.037 8.431) 11.408 3.614 ( 5.902 -3.083 3.376) 7.466 3.798 ( 13.964 6.429 1.997) 15.502 4.036 ( 9.715 4.977 -15.736) 19.152 4.671 ( 4.853 -2.333 3.321) 6.327 4.728 ( 4.762 0.602 -1.065) 4.916 5.449 ( -6.370 -2.685 5.323) 8.725 5.513 ( -5.922 -2.509 -1.768) 6.671 5.870 ( -9.878 0.502 -1.312) 9.977 5.890 ( -6.806 -0.395 -3.209) 7.536 6.088 ( -1.513 -3.522 1.968) 4.309 6.178 ( -1.476 -3.662 -6.378) 7.501 6.499 ( 13.442 2.178 8.389) 15.994 6.694 ( 10.472 -0.510 -9.939) 14.447 7.685 ( -10.745 0.920 5.830) 12.259 7.770 ( -10.568 -0.337 -2.200) 10.800 7.850 ( -1.192 -5.386 3.627) 6.602 7.955 ( -5.851 -2.580 -4.374) 7.748 8.138 ( -0.840 -2.203 6.569) 6.979 8.238 ( -2.881 -0.653 -2.501) 3.871 8.319 ( 1.844 0.712 0.207) 1.988 8.339 ( 0.971 1.712 -1.708) 2.606 9.004 ( 2.696 -0.224 3.224) 4.209 9.034 ( 1.726 -0.054 0.542) 1.810 12.478 ( -2.735 2.345 2.235) 4.239 12.506 ( -3.250 1.550 -0.388) 3.622 13.101 ( 1.653 -0.549 1.615) 2.375 13.134 ( 1.693 -1.524 -1.584) 2.774 16.260 ( -0.024 1.606 1.786) 2.402 16.283 ( -0.928 1.255 -0.418) 1.616 16.536 ( -0.984 -0.657 2.358) 2.638 16.589 ( -1.955 -0.620 -2.741) 3.424 16.855 ( 1.469 0.511 1.722) 2.320 16.895 ( 1.629 -0.821 -2.067) 2.757 26.812 ( 0.066 0.307 0.744) 0.807 26.826 ( -0.036 0.111 -0.662) 0.672 29.472 ( 5.800 1.825 8.171) 10.186 29.597 ( 4.830 2.518 -1.151) 5.567 29.856 ( 2.846 6.115 4.190) 7.940 30.050 ( 1.845 5.742 -11.463) 12.953 30.789 ( -5.781 -4.374 7.185) 10.206 30.896 ( -7.511 -6.534 -3.883) 10.685======================= Grid point 276 (96/100) =======================q-point: ( 0.43 0.38 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.617 ( 0.864 8.012 24.090) 25.402 1.788 ( -4.317 4.284 14.029) 15.291 2.568 ( 4.628 7.906 -21.806) 23.652 2.701 ( 3.537 2.663 -27.162) 27.520 3.350 ( 6.956 4.095 8.802) 11.943 3.438 ( 1.850 -1.169 3.829) 4.410 3.583 ( 4.703 7.626 2.750) 9.372 3.674 ( -0.330 5.702 -2.416) 6.202 4.042 ( 6.134 8.899 1.034) 10.858 4.180 ( 4.080 11.489 -10.783) 16.276 4.845 ( 11.356 -13.444 4.657) 18.204 4.922 ( 10.372 -14.817 -2.197) 18.219 5.252 ( -10.116 -6.452 5.389) 13.153 5.328 ( -11.522 -6.380 -2.131) 13.342 5.719 ( -3.630 1.734 -1.107) 4.173 5.756 ( -3.363 -0.326 -4.015) 5.248 6.084 ( 0.472 -2.949 -0.909) 3.122 6.125 ( -2.463 -4.347 -4.500) 6.724 6.854 ( 17.816 5.747 5.878) 19.621 6.970 ( 13.391 3.178 -4.926) 14.618 7.352 ( -16.431 4.061 5.928) 17.933 7.460 ( -15.660 1.194 -3.815) 16.162 7.877 ( 1.729 -6.953 0.337) 7.173 7.909 ( -0.853 -6.498 -2.101) 6.882 8.131 ( 0.486 -0.632 5.217) 5.277 8.172 ( -2.866 -0.331 1.331) 3.178 8.350 ( 0.947 2.057 -0.307) 2.285 8.356 ( 0.383 2.400 -0.881) 2.585 9.047 ( 1.289 -0.275 1.991) 2.388 9.057 ( 0.395 -0.252 1.069) 1.168 12.436 ( -1.061 1.619 1.636) 2.534 12.453 ( -1.493 1.023 0.065) 1.811 13.125 ( 0.622 -0.986 1.599) 1.979 13.161 ( 0.736 -2.347 -1.827) 3.064 16.259 ( -0.061 1.548 1.267) 2.001 16.270 ( -0.281 1.386 0.252) 1.437 16.528 ( 0.025 -0.196 1.268) 1.283 16.564 ( -0.561 -0.887 -2.037) 2.292 16.871 ( 0.278 0.717 2.029) 2.170 16.915 ( 0.371 -0.736 -2.090) 2.246 26.813 ( 0.065 0.481 0.637) 0.801 26.826 ( -0.017 0.073 -0.543) 0.548 29.582 ( 4.177 3.723 9.659) 11.162 29.650 ( -0.121 3.492 7.086) 7.901 29.937 ( 4.039 8.231 -4.778) 10.338 30.061 ( -1.006 6.829 -13.074) 14.784 30.701 ( -1.965 -7.473 5.523) 9.498 30.762 ( -4.303 -8.479 -0.987) 9.560======================= Grid point 280 (97/100) =======================q-point: ( 0.00 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( 0.000 0.000 -2.314) 2.314 1.825 ( 0.000 0.000 29.967) 29.967 1.926 ( 0.000 0.000 -16.912) 16.912 2.472 ( 0.000 0.000 -27.942) 27.942 2.682 ( 0.000 0.000 7.586) 7.586 2.788 ( 0.000 0.000 0.704) 0.704 3.383 ( 0.000 0.000 3.113) 3.113 3.454 ( 0.000 0.000 4.534) 4.534 3.513 ( 0.000 0.000 0.404) 0.404 3.588 ( 0.000 0.000 -13.930) 13.930 4.730 ( 0.000 0.000 8.133) 8.133 4.924 ( 0.000 0.000 -9.519) 9.519 5.506 ( 0.000 0.000 3.344) 3.344 5.588 ( 0.000 0.000 -4.034) 4.034 5.996 ( 0.000 -0.000 5.196) 5.196 6.067 ( 0.000 0.000 1.777) 1.777 6.252 ( 0.000 0.000 3.879) 3.879 6.332 ( 0.000 -0.000 -0.203) 0.203 6.337 ( 0.000 0.000 -0.677) 0.677 6.438 ( 0.000 0.000 -9.950) 9.950 7.564 ( 0.000 -0.000 -1.039) 1.039 7.595 ( 0.000 0.000 -4.433) 4.433 8.097 ( 0.000 0.000 11.223) 11.223 8.208 ( 0.000 0.000 5.041) 5.041 8.258 ( 0.000 0.000 -4.819) 4.819 8.266 ( 0.000 0.000 0.996) 0.996 8.285 ( 0.000 0.000 -0.849) 0.849 8.356 ( 0.000 0.000 -8.429) 8.429 8.910 ( 0.000 0.000 6.062) 6.062 8.973 ( 0.000 0.000 0.174) 0.174 12.606 ( 0.000 0.000 2.260) 2.260 12.630 ( 0.000 0.000 -0.003) 0.003 13.044 ( 0.000 0.000 2.226) 2.226 13.084 ( 0.000 0.000 -1.648) 1.648 16.290 ( 0.000 -0.000 2.147) 2.147 16.318 ( 0.000 0.000 -0.689) 0.689 16.614 ( 0.000 0.000 4.187) 4.187 16.701 ( 0.000 0.000 -4.360) 4.360 16.765 ( 0.000 -0.000 -0.556) 0.556 16.765 ( 0.000 0.000 -0.225) 0.225 26.813 ( 0.000 0.000 0.791) 0.791 26.829 ( 0.000 0.000 -0.772) 0.772 29.312 ( 0.000 0.000 5.591) 5.591 29.433 ( 0.000 0.000 -6.198) 6.198 29.853 ( 0.000 0.000 9.773) 9.773 30.045 ( 0.000 0.000 -8.183) 8.183 30.938 ( 0.000 0.000 7.015) 7.015 31.054 ( 0.000 0.000 -5.346) 5.346======================= Grid point 282 (98/100) =======================q-point: ( 0.14 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.748 ( -3.396 0.000 32.982) 33.156 1.878 ( 8.029 0.000 3.565) 8.785 2.177 ( 17.610 0.000 -21.701) 27.947 2.463 ( 1.465 0.000 -29.935) 29.971 2.811 ( 11.687 0.000 7.777) 14.038 2.918 ( 11.041 0.000 -0.755) 11.067 3.449 ( 6.070 0.000 4.920) 7.814 3.491 ( 0.961 0.000 2.241) 2.438 3.566 ( 10.432 0.000 3.309) 10.944 3.758 ( 12.784 0.000 -13.248) 18.410 4.703 ( -2.156 0.000 6.107) 6.476 4.842 ( -6.471 0.000 -6.120) 8.907 5.549 ( 1.754 0.000 -0.173) 1.763 5.565 ( -3.023 0.000 -0.673) 3.097 5.981 ( -1.671 -0.000 3.646) 4.011 6.027 ( -4.781 0.000 -0.239) 4.786 6.197 ( -5.333 -0.000 -1.277) 5.484 6.209 ( -8.998 0.000 -1.817) 9.180 6.364 ( 5.951 0.000 4.528) 7.478 6.500 ( 5.022 0.000 -7.406) 8.948 7.618 ( 4.112 0.000 -0.687) 4.169 7.642 ( 3.702 0.000 -3.369) 5.005 8.054 ( -6.661 0.000 6.938) 9.618 8.139 ( -3.483 0.000 8.876) 9.535 8.175 ( -8.414 0.000 -5.264) 9.925 8.279 ( -1.414 -0.000 -2.061) 2.499 8.287 ( 1.852 0.000 0.938) 2.076 8.337 ( -0.011 0.000 -5.483) 5.483 8.943 ( 2.669 0.000 5.022) 5.687 8.995 ( 1.803 0.000 0.240) 1.819 12.574 ( -2.781 0.000 2.119) 3.496 12.595 ( -3.017 0.000 0.121) 3.019 13.062 ( 1.552 0.000 1.716) 2.314 13.094 ( 0.886 0.000 -1.390) 1.649 16.287 ( -0.276 0.000 1.902) 1.922 16.311 ( -0.552 0.000 -0.597) 0.813 16.568 ( -2.826 0.000 3.652) 4.618 16.641 ( -3.464 0.000 -3.318) 4.797 16.815 ( 3.307 -0.000 -0.270) 3.318 16.823 ( 3.179 0.000 -0.814) 3.281 26.813 ( 0.056 0.000 0.763) 0.766 26.828 ( -0.032 0.000 -0.724) 0.725 29.365 ( 4.792 0.000 6.555) 8.120 29.495 ( 5.453 0.000 -5.503) 7.747 29.870 ( 1.641 0.000 8.834) 8.985 30.064 ( 1.753 0.000 -8.741) 8.915 30.882 ( -5.023 0.000 6.447) 8.173 30.986 ( -6.246 0.000 -4.669) 7.798======================= Grid point 284 (99/100) =======================q-point: ( 0.29 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( -0.717 0.000 35.726) 35.733 1.923 ( -3.484 0.000 14.551) 14.962 2.517 ( 12.810 0.000 -30.811) 33.368 2.588 ( 8.342 0.000 -36.779) 37.713 3.129 ( 16.618 -0.000 7.232) 18.123 3.184 ( 12.636 0.000 3.538) 13.122 3.564 ( 5.642 -0.000 7.429) 9.329 3.610 ( 8.211 0.000 4.135) 9.194 3.877 ( 18.350 0.000 3.316) 18.647 4.070 ( 15.786 0.000 -11.835) 19.730 4.660 ( -1.507 -0.000 1.341) 2.018 4.701 ( -6.310 0.000 -2.003) 6.620 5.424 ( -10.579 0.000 4.081) 11.339 5.489 ( -8.222 0.000 -2.522) 8.600 5.875 ( -7.684 0.000 -1.864) 7.907 5.876 ( -7.902 -0.000 -1.757) 8.095 6.087 ( -1.864 -0.000 -1.296) 2.270 6.108 ( -2.905 0.000 -3.514) 4.559 6.588 ( 14.729 0.000 4.783) 15.486 6.683 ( 13.039 -0.000 -4.022) 13.645 7.676 ( -0.681 0.000 0.920) 1.144 7.703 ( -1.128 0.000 -1.754) 2.086 7.812 ( -11.817 0.000 4.827) 12.765 7.936 ( -12.146 0.000 -6.717) 13.880 8.112 ( -0.236 0.000 9.262) 9.265 8.229 ( -2.936 -0.000 -1.575) 3.332 8.333 ( 2.322 0.000 0.578) 2.393 8.360 ( 1.435 0.000 -2.172) 2.603 9.002 ( 2.626 0.000 3.390) 4.288 9.034 ( 1.599 0.000 0.554) 1.692 12.506 ( -3.239 0.000 1.758) 3.686 12.521 ( -3.591 0.000 0.309) 3.605 13.098 ( 1.589 -0.000 0.752) 1.758 13.115 ( 0.913 0.000 -0.925) 1.300 16.280 ( -0.280 0.000 1.514) 1.540 16.298 ( -0.669 0.000 -0.281) 0.725 16.529 ( -0.765 0.000 2.602) 2.712 16.582 ( -2.091 0.000 -2.501) 3.260 16.871 ( 1.798 -0.000 -0.273) 1.818 16.873 ( 1.575 0.000 -0.380) 1.621 26.816 ( 0.194 0.000 0.610) 0.640 26.827 ( -0.072 0.000 -0.532) 0.537 29.493 ( 6.797 0.000 8.938) 11.228 29.626 ( 5.861 0.000 -0.921) 5.933 29.927 ( 4.036 0.000 3.409) 5.282 30.110 ( 2.253 0.000 -10.448) 10.688 30.749 ( -6.963 0.000 4.991) 8.567 30.815 ( -9.249 0.000 -2.425) 9.561======================= Grid point 286 (100/100) =======================q-point: ( 0.43 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.724 ( 2.764 0.000 30.825) 30.949 1.814 ( -5.467 0.000 22.678) 23.328 2.696 ( 4.540 0.000 -34.079) 34.380 2.714 ( 2.813 -0.000 -36.605) 36.713 3.387 ( 5.657 0.000 6.570) 8.670 3.388 ( 6.192 -0.000 5.220) 8.099 3.703 ( 6.106 -0.000 8.244) 10.259 3.740 ( 3.019 0.000 5.148) 5.968 4.248 ( 14.013 0.000 1.528) 14.096 4.340 ( 6.769 0.000 -4.164) 7.947 4.613 ( -0.670 0.000 -2.395) 2.487 4.645 ( -0.711 -0.000 -3.900) 3.965 5.194 ( -7.531 0.000 3.671) 8.378 5.252 ( -11.288 0.000 -1.700) 11.416 5.754 ( -2.804 0.000 -2.108) 3.508 5.759 ( -3.062 0.000 -2.455) 3.925 6.067 ( -0.541 0.000 -3.041) 3.089 6.069 ( -0.924 -0.000 -3.314) 3.441 6.945 ( 18.129 0.000 4.151) 18.598 7.017 ( 16.613 0.000 -2.492) 16.799 7.408 ( -17.171 0.000 4.259) 17.691 7.466 ( -16.687 0.000 -1.009) 16.717 7.788 ( 1.499 0.000 -1.244) 1.948 7.812 ( -1.229 0.000 -3.532) 3.740 8.122 ( 1.255 0.000 6.049) 6.178 8.166 ( -2.809 0.000 1.885) 3.383 8.373 ( 1.233 0.000 -0.013) 1.233 8.381 ( 0.411 0.000 -0.860) 0.953 9.044 ( 1.304 0.000 2.103) 2.475 9.054 ( 0.300 0.000 1.179) 1.217 12.456 ( -1.200 0.000 1.196) 1.694 12.462 ( -1.747 0.000 0.632) 1.858 13.123 ( 0.735 -0.000 -0.030) 0.735 13.128 ( 0.249 0.000 -0.519) 0.575 16.278 ( 0.125 0.000 1.039) 1.047 16.285 ( -0.496 0.000 0.330) 0.596 16.531 ( 0.690 0.000 0.789) 1.048 16.550 ( -1.110 0.000 -1.068) 1.541 16.892 ( 0.376 -0.001 -0.170) 0.413 16.892 ( 0.342 0.001 -0.122) 0.363 26.820 ( 0.250 0.000 0.269) 0.368 26.825 ( -0.167 0.000 -0.167) 0.237 29.626 ( 5.304 0.000 10.843) 12.070 29.690 ( -0.280 0.000 8.249) 8.253 30.043 ( 6.264 0.000 -7.861) 10.051 30.131 ( -1.217 0.000 -12.361) 12.421 30.628 ( -3.492 0.000 3.658) 5.058 30.646 ( -5.433 0.000 1.521) 5.642=================== 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 3/24192 10.0 832.833 393.448 769.249 0.000 0.000 0.000 3/24192 20.0 148.210 78.251 125.987 0.000 0.000 0.000 3/24192 30.0 68.291 36.609 60.166 0.000 0.000 0.000 3/24192 40.0 40.832 22.417 37.876 0.000 0.000 0.000 3/24192 50.0 27.778 15.615 26.826 0.000 0.000 0.000 3/24192 60.0 20.515 11.763 20.375 0.000 0.000 0.000 3/24192 70.0 16.054 9.353 16.252 0.000 0.000 0.000 3/24192 80.0 13.107 7.733 13.444 0.000 0.000 0.000 3/24192 90.0 11.047 6.582 11.435 0.000 0.000 0.000 3/24192 100.0 9.539 5.728 9.938 0.000 0.000 0.000 3/24192 110.0 8.392 5.070 8.786 0.000 0.000 0.000 3/24192 120.0 7.493 4.550 7.873 0.000 0.000 0.000 3/24192 130.0 6.771 4.128 7.134 0.000 0.000 0.000 3/24192 140.0 6.178 3.779 6.524 0.000 0.000 0.000 3/24192 150.0 5.683 3.485 6.013 0.000 0.000 0.000 3/24192 160.0 5.264 3.236 5.578 0.000 0.000 0.000 3/24192 170.0 4.905 3.020 5.204 0.000 0.000 0.000 3/24192 180.0 4.594 2.833 4.879 0.000 0.000 0.000 3/24192 190.0 4.322 2.668 4.595 0.000 0.000 0.000 3/24192 200.0 4.082 2.523 4.344 0.000 0.000 0.000 3/24192 210.0 3.869 2.393 4.121 0.000 0.000 0.000 3/24192 220.0 3.679 2.277 3.921 0.000 0.000 0.000 3/24192 230.0 3.508 2.173 3.742 0.000 0.000 0.000 3/24192 240.0 3.354 2.078 3.580 0.000 0.000 0.000 3/24192 250.0 3.214 1.992 3.432 0.000 0.000 0.000 3/24192 260.0 3.086 1.913 3.298 0.000 0.000 0.000 3/24192 270.0 2.969 1.841 3.175 0.000 0.000 0.000 3/24192 280.0 2.862 1.775 3.062 0.000 0.000 0.000 3/24192 290.0 2.763 1.713 2.958 0.000 0.000 0.000 3/24192 300.0 2.671 1.656 2.861 0.000 0.000 0.000 3/24192 310.0 2.586 1.604 2.772 0.000 0.000 0.000 3/24192 320.0 2.507 1.554 2.688 0.000 0.000 0.000 3/24192 330.0 2.432 1.508 2.610 0.000 0.000 0.000 3/24192 340.0 2.363 1.465 2.537 0.000 0.000 0.000 3/24192 350.0 2.298 1.424 2.469 0.000 0.000 0.000 3/24192 360.0 2.237 1.386 2.404 0.000 0.000 0.000 3/24192 370.0 2.179 1.350 2.343 0.000 0.000 0.000 3/24192 380.0 2.124 1.316 2.285 0.000 0.000 0.000 3/24192 390.0 2.073 1.284 2.231 0.000 0.000 0.000 3/24192 400.0 2.024 1.253 2.179 0.000 0.000 0.000 3/24192 410.0 1.977 1.224 2.130 0.000 0.000 0.000 3/24192 420.0 1.933 1.196 2.083 0.000 0.000 0.000 3/24192 430.0 1.890 1.170 2.038 0.000 0.000 0.000 3/24192 440.0 1.850 1.145 1.996 0.000 0.000 0.000 3/24192 450.0 1.812 1.121 1.955 0.000 0.000 0.000 3/24192 460.0 1.775 1.098 1.916 0.000 0.000 0.000 3/24192 470.0 1.739 1.076 1.878 0.000 0.000 0.000 3/24192 480.0 1.705 1.054 1.842 0.000 0.000 0.000 3/24192 490.0 1.673 1.034 1.808 0.000 0.000 0.000 3/24192 500.0 1.642 1.015 1.775 0.000 0.000 0.000 3/24192 510.0 1.612 0.996 1.743 0.000 0.000 0.000 3/24192 520.0 1.583 0.978 1.712 0.000 0.000 0.000 3/24192 530.0 1.555 0.960 1.682 0.000 0.000 0.000 3/24192 540.0 1.528 0.944 1.654 0.000 0.000 0.000 3/24192 550.0 1.502 0.927 1.626 0.000 0.000 0.000 3/24192 560.0 1.477 0.912 1.600 0.000 0.000 0.000 3/24192 570.0 1.453 0.897 1.574 0.000 0.000 0.000 3/24192 580.0 1.429 0.882 1.549 0.000 0.000 0.000 3/24192 590.0 1.407 0.868 1.525 0.000 0.000 0.000 3/24192 600.0 1.385 0.854 1.501 0.000 0.000 0.000 3/24192 610.0 1.363 0.841 1.478 0.000 0.000 0.000 3/24192 620.0 1.343 0.828 1.456 0.000 0.000 0.000 3/24192 630.0 1.323 0.816 1.435 0.000 0.000 0.000 3/24192 640.0 1.303 0.804 1.414 0.000 0.000 0.000 3/24192 650.0 1.285 0.792 1.394 0.000 0.000 0.000 3/24192 660.0 1.266 0.781 1.375 0.000 0.000 0.000 3/24192 670.0 1.248 0.769 1.356 0.000 0.000 0.000 3/24192 680.0 1.231 0.759 1.337 0.000 0.000 0.000 3/24192 690.0 1.214 0.748 1.319 0.000 0.000 0.000 3/24192 700.0 1.198 0.738 1.302 0.000 0.000 0.000 3/24192 710.0 1.182 0.728 1.284 0.000 0.000 0.000 3/24192 720.0 1.167 0.719 1.268 0.000 0.000 0.000 3/24192 730.0 1.151 0.709 1.252 0.000 0.000 0.000 3/24192 740.0 1.137 0.700 1.236 0.000 0.000 0.000 3/24192 750.0 1.122 0.691 1.220 0.000 0.000 0.000 3/24192 760.0 1.108 0.683 1.205 0.000 0.000 0.000 3/24192 770.0 1.095 0.674 1.191 0.000 0.000 0.000 3/24192 780.0 1.081 0.666 1.176 0.000 0.000 0.000 3/24192 790.0 1.068 0.658 1.162 0.000 0.000 0.000 3/24192 800.0 1.056 0.650 1.149 0.000 0.000 0.000 3/24192 810.0 1.043 0.642 1.135 0.000 0.000 0.000 3/24192 820.0 1.031 0.635 1.122 0.000 0.000 0.000 3/24192 830.0 1.019 0.627 1.110 0.000 0.000 0.000 3/24192 840.0 1.008 0.620 1.097 0.000 0.000 0.000 3/24192 850.0 0.997 0.613 1.085 0.000 0.000 0.000 3/24192 860.0 0.985 0.606 1.073 0.000 0.000 0.000 3/24192 870.0 0.975 0.600 1.061 0.000 0.000 0.000 3/24192 880.0 0.964 0.593 1.050 0.000 0.000 0.000 3/24192 890.0 0.954 0.587 1.039 0.000 0.000 0.000 3/24192 900.0 0.944 0.580 1.028 0.000 0.000 0.000 3/24192 910.0 0.934 0.574 1.017 0.000 0.000 0.000 3/24192 920.0 0.924 0.568 1.007 0.000 0.000 0.000 3/24192 930.0 0.914 0.562 0.996 0.000 0.000 0.000 3/24192 940.0 0.905 0.557 0.986 0.000 0.000 0.000 3/24192 950.0 0.896 0.551 0.976 0.000 0.000 0.000 3/24192 960.0 0.887 0.545 0.967 0.000 0.000 0.000 3/24192 970.0 0.878 0.540 0.957 0.000 0.000 0.000 3/24192 980.0 0.869 0.535 0.948 0.000 0.000 0.000 3/24192 990.0 0.861 0.529 0.939 0.000 0.000 0.000 3/24192 1000.0 0.853 0.524 0.930 0.000 0.000 0.000 3/24192Thermal conductivity related properties were written into "kappa-m789.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:36:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|