----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:53:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.839760220865501 0.000000000000000 0.000000000000000 b 0.000000000000000 15.652365609999999 0.000000000000000 c -0.178737473626788 0.000000000000000 10.592708817903803 Atomic positions (fractional): *1 Ba 0.26494532473117 0.77737173609887 0.05476778754795 137.327 *2 Ba 0.26599718225476 0.43779260176838 0.17358417686800 137.327 3 Ba 0.73400281774524 0.93779260176838 0.32641582313200 137.327 4 Ba 0.73505467526883 0.27737173609887 0.44523221245205 137.327 5 Ba 0.26494532473117 0.72262826390113 0.55476778754795 137.327 6 Ba 0.26599718225476 0.06220739823162 0.67358417686800 137.327 7 Ba 0.73400281774524 0.56220739823162 0.82641582313200 137.327 8 Ba 0.73505467526883 0.22262826390113 0.94523221245205 137.327 *9 La 0.21877977310264 0.12613233657893 0.21223916273462 138.905 10 La 0.78122022689736 0.62613233657893 0.28776083726538 138.905 11 La 0.21877977310264 0.37386766342107 0.71223916273462 138.905 12 La 0.78122022689736 0.87386766342107 0.78776083726538 138.905 *13 Cl 0.72030962465112 0.85162606986258 0.04617974215324 35.453 *14 Cl 0.00673413646232 0.60199202539290 0.06970294024933 35.453 *15 Cl 0.50683855367799 0.60329189549390 0.08207182200483 35.453 *16 Cl 0.84814379538929 0.07042856274324 0.12155360017600 35.453 *17 Cl 0.49554523573356 0.25991916752871 0.19025499459358 35.453 *18 Cl 0.99114007095562 0.27598565248963 0.19744196183697 35.453 *19 Cl 0.30303334189640 0.95301402812468 0.20869683485736 35.453 20 Cl 0.69696665810360 0.45301402812468 0.29130316514264 35.453 21 Cl 0.00885992904437 0.77598565248963 0.30255803816303 35.453 22 Cl 0.50445476426644 0.75991916752871 0.30974500540642 35.453 23 Cl 0.15185620461071 0.57042856274323 0.37844639982400 35.453 24 Cl 0.49316144632201 0.10329189549390 0.41792817799517 35.453 25 Cl 0.99326586353768 0.10199202539290 0.43029705975067 35.453 26 Cl 0.27969037534888 0.35162606986257 0.45382025784676 35.453 27 Cl 0.72030962465112 0.64837393013742 0.54617974215324 35.453 28 Cl 0.00673413646232 0.89800797460710 0.56970294024933 35.453 29 Cl 0.50683855367799 0.89670810450610 0.58207182200483 35.453 30 Cl 0.84814379538929 0.42957143725676 0.62155360017600 35.453 31 Cl 0.49554523573356 0.24008083247129 0.69025499459358 35.453 32 Cl 0.99114007095562 0.22401434751037 0.69744196183697 35.453 33 Cl 0.30303334189640 0.54698597187532 0.70869683485736 35.453 34 Cl 0.69696665810360 0.04698597187532 0.79130316514264 35.453 35 Cl 0.00885992904437 0.72401434751037 0.80255803816303 35.453 36 Cl 0.50445476426644 0.74008083247129 0.80974500540642 35.453 37 Cl 0.15185620461071 0.92957143725677 0.87844639982400 35.453 38 Cl 0.49316144632201 0.39670810450610 0.91792817799517 35.453 39 Cl 0.99326586353768 0.39800797460710 0.93029705975067 35.453 40 Cl 0.27969037534888 0.14837393013743 0.95382025784676 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.839760220865501 0.000000000000000 0.000000000000000 b 0.000000000000000 15.652365609999999 0.000000000000000 c -0.178737473626788 0.000000000000000 10.592708817903803 Atomic positions (fractional): *1 Ba 0.26494532473117 0.77737173609887 0.05476778754795 137.327 > 1 *2 Ba 0.26599718225476 0.43779260176838 0.17358417686800 137.327 > 2 3 Ba 0.73400281774524 0.93779260176838 0.32641582313200 137.327 > 3 4 Ba 0.73505467526883 0.27737173609887 0.44523221245205 137.327 > 4 5 Ba 0.26494532473117 0.72262826390113 0.55476778754795 137.327 > 5 6 Ba 0.26599718225476 0.06220739823162 0.67358417686800 137.327 > 6 7 Ba 0.73400281774524 0.56220739823162 0.82641582313200 137.327 > 7 8 Ba 0.73505467526883 0.22262826390113 0.94523221245205 137.327 > 8 *9 La 0.21877977310264 0.12613233657893 0.21223916273462 138.905 > 9 10 La 0.78122022689736 0.62613233657893 0.28776083726538 138.905 > 10 11 La 0.21877977310264 0.37386766342107 0.71223916273462 138.905 > 11 12 La 0.78122022689736 0.87386766342107 0.78776083726538 138.905 > 12 *13 Cl 0.72030962465112 0.85162606986258 0.04617974215324 35.453 > 13 *14 Cl 0.00673413646232 0.60199202539290 0.06970294024933 35.453 > 14 *15 Cl 0.50683855367799 0.60329189549390 0.08207182200483 35.453 > 15 *16 Cl 0.84814379538929 0.07042856274324 0.12155360017600 35.453 > 16 *17 Cl 0.49554523573356 0.25991916752871 0.19025499459358 35.453 > 17 *18 Cl 0.99114007095562 0.27598565248963 0.19744196183697 35.453 > 18 *19 Cl 0.30303334189640 0.95301402812468 0.20869683485736 35.453 > 19 20 Cl 0.69696665810360 0.45301402812468 0.29130316514264 35.453 > 20 21 Cl 0.00885992904437 0.77598565248963 0.30255803816303 35.453 > 21 22 Cl 0.50445476426644 0.75991916752871 0.30974500540642 35.453 > 22 23 Cl 0.15185620461071 0.57042856274323 0.37844639982400 35.453 > 23 24 Cl 0.49316144632201 0.10329189549390 0.41792817799517 35.453 > 24 25 Cl 0.99326586353768 0.10199202539290 0.43029705975067 35.453 > 25 26 Cl 0.27969037534888 0.35162606986257 0.45382025784676 35.453 > 26 27 Cl 0.72030962465112 0.64837393013742 0.54617974215324 35.453 > 27 28 Cl 0.00673413646232 0.89800797460710 0.56970294024933 35.453 > 28 29 Cl 0.50683855367799 0.89670810450610 0.58207182200483 35.453 > 29 30 Cl 0.84814379538929 0.42957143725676 0.62155360017600 35.453 > 30 31 Cl 0.49554523573356 0.24008083247129 0.69025499459358 35.453 > 31 32 Cl 0.99114007095562 0.22401434751037 0.69744196183697 35.453 > 32 33 Cl 0.30303334189640 0.54698597187532 0.70869683485736 35.453 > 33 34 Cl 0.69696665810360 0.04698597187532 0.79130316514264 35.453 > 34 35 Cl 0.00885992904437 0.72401434751037 0.80255803816303 35.453 > 35 36 Cl 0.50445476426644 0.74008083247129 0.80974500540642 35.453 > 36 37 Cl 0.15185620461071 0.92957143725677 0.87844639982400 35.453 > 37 38 Cl 0.49316144632201 0.39670810450610 0.91792817799517 35.453 > 38 39 Cl 0.99326586353768 0.39800797460710 0.93029705975067 35.453 > 39 40 Cl 0.27969037534888 0.14837393013743 0.95382025784676 35.453 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.679520441731002 0.000000000000000 0.000000000000000 b 0.000000000000000 15.652365609999999 0.000000000000000 c -0.178737473626788 0.000000000000000 10.592708817903803 Atomic positions (fractional): *1 Ba 0.13247266236558 0.77737173609887 0.05476778754795 137.327 > 1 2 Ba 0.63247266236558 0.77737173609887 0.05476778754795 137.327 > 1 *3 Ba 0.13299859112738 0.43779260176838 0.17358417686800 137.327 > 2 4 Ba 0.63299859112738 0.43779260176838 0.17358417686800 137.327 > 2 5 Ba 0.36700140887262 0.93779260176838 0.32641582313200 137.327 > 3 6 Ba 0.86700140887262 0.93779260176838 0.32641582313200 137.327 > 3 7 Ba 0.36752733763442 0.27737173609887 0.44523221245205 137.327 > 4 8 Ba 0.86752733763442 0.27737173609887 0.44523221245205 137.327 > 4 9 Ba 0.13247266236558 0.72262826390113 0.55476778754795 137.327 > 5 10 Ba 0.63247266236558 0.72262826390113 0.55476778754795 137.327 > 5 11 Ba 0.13299859112738 0.06220739823162 0.67358417686800 137.327 > 6 12 Ba 0.63299859112738 0.06220739823162 0.67358417686800 137.327 > 6 13 Ba 0.36700140887262 0.56220739823162 0.82641582313200 137.327 > 7 14 Ba 0.86700140887262 0.56220739823162 0.82641582313200 137.327 > 7 15 Ba 0.36752733763442 0.22262826390113 0.94523221245205 137.327 > 8 16 Ba 0.86752733763442 0.22262826390113 0.94523221245205 137.327 > 8 *17 La 0.10938988655132 0.12613233657893 0.21223916273462 138.905 > 9 18 La 0.60938988655132 0.12613233657893 0.21223916273462 138.905 > 9 19 La 0.39061011344868 0.62613233657893 0.28776083726538 138.905 > 10 20 La 0.89061011344868 0.62613233657893 0.28776083726538 138.905 > 10 21 La 0.10938988655132 0.37386766342107 0.71223916273462 138.905 > 11 22 La 0.60938988655132 0.37386766342107 0.71223916273462 138.905 > 11 23 La 0.39061011344868 0.87386766342107 0.78776083726538 138.905 > 12 24 La 0.89061011344868 0.87386766342107 0.78776083726538 138.905 > 12 *25 Cl 0.36015481232556 0.85162606986258 0.04617974215324 35.453 > 13 26 Cl 0.86015481232556 0.85162606986258 0.04617974215324 35.453 > 13 *27 Cl 0.00336706823116 0.60199202539290 0.06970294024933 35.453 > 14 28 Cl 0.50336706823116 0.60199202539290 0.06970294024933 35.453 > 14 *29 Cl 0.25341927683899 0.60329189549390 0.08207182200483 35.453 > 15 30 Cl 0.75341927683899 0.60329189549390 0.08207182200483 35.453 > 15 *31 Cl 0.42407189769464 0.07042856274324 0.12155360017600 35.453 > 16 32 Cl 0.92407189769464 0.07042856274324 0.12155360017600 35.453 > 16 *33 Cl 0.24777261786678 0.25991916752871 0.19025499459358 35.453 > 17 34 Cl 0.74777261786678 0.25991916752871 0.19025499459358 35.453 > 17 *35 Cl 0.49557003547781 0.27598565248963 0.19744196183697 35.453 > 18 36 Cl 0.99557003547781 0.27598565248963 0.19744196183697 35.453 > 18 *37 Cl 0.15151667094820 0.95301402812468 0.20869683485736 35.453 > 19 38 Cl 0.65151667094820 0.95301402812468 0.20869683485736 35.453 > 19 39 Cl 0.34848332905180 0.45301402812468 0.29130316514264 35.453 > 20 40 Cl 0.84848332905180 0.45301402812468 0.29130316514264 35.453 > 20 41 Cl 0.00442996452219 0.77598565248963 0.30255803816303 35.453 > 21 42 Cl 0.50442996452219 0.77598565248963 0.30255803816303 35.453 > 21 43 Cl 0.25222738213322 0.75991916752871 0.30974500540642 35.453 > 22 44 Cl 0.75222738213322 0.75991916752871 0.30974500540642 35.453 > 22 45 Cl 0.07592810230536 0.57042856274323 0.37844639982400 35.453 > 23 46 Cl 0.57592810230535 0.57042856274323 0.37844639982400 35.453 > 23 47 Cl 0.24658072316101 0.10329189549390 0.41792817799517 35.453 > 24 48 Cl 0.74658072316101 0.10329189549390 0.41792817799517 35.453 > 24 49 Cl 0.49663293176884 0.10199202539290 0.43029705975067 35.453 > 25 50 Cl 0.99663293176884 0.10199202539290 0.43029705975067 35.453 > 25 51 Cl 0.13984518767444 0.35162606986257 0.45382025784676 35.453 > 26 52 Cl 0.63984518767444 0.35162606986257 0.45382025784676 35.453 > 26 53 Cl 0.36015481232556 0.64837393013742 0.54617974215324 35.453 > 27 54 Cl 0.86015481232556 0.64837393013742 0.54617974215324 35.453 > 27 55 Cl 0.00336706823116 0.89800797460710 0.56970294024933 35.453 > 28 56 Cl 0.50336706823116 0.89800797460710 0.56970294024933 35.453 > 28 57 Cl 0.25341927683899 0.89670810450610 0.58207182200483 35.453 > 29 58 Cl 0.75341927683899 0.89670810450610 0.58207182200483 35.453 > 29 59 Cl 0.42407189769464 0.42957143725676 0.62155360017600 35.453 > 30 60 Cl 0.92407189769464 0.42957143725676 0.62155360017600 35.453 > 30 61 Cl 0.24777261786678 0.24008083247129 0.69025499459358 35.453 > 31 62 Cl 0.74777261786678 0.24008083247129 0.69025499459358 35.453 > 31 63 Cl 0.49557003547781 0.22401434751037 0.69744196183697 35.453 > 32 64 Cl 0.99557003547781 0.22401434751037 0.69744196183697 35.453 > 32 65 Cl 0.15151667094820 0.54698597187532 0.70869683485736 35.453 > 33 66 Cl 0.65151667094820 0.54698597187532 0.70869683485736 35.453 > 33 67 Cl 0.34848332905180 0.04698597187532 0.79130316514264 35.453 > 34 68 Cl 0.84848332905180 0.04698597187532 0.79130316514264 35.453 > 34 69 Cl 0.00442996452219 0.72401434751037 0.80255803816303 35.453 > 35 70 Cl 0.50442996452219 0.72401434751037 0.80255803816303 35.453 > 35 71 Cl 0.25222738213322 0.74008083247129 0.80974500540642 35.453 > 36 72 Cl 0.75222738213322 0.74008083247129 0.80974500540642 35.453 > 36 73 Cl 0.07592810230536 0.92957143725677 0.87844639982400 35.453 > 37 74 Cl 0.57592810230535 0.92957143725677 0.87844639982400 35.453 > 37 75 Cl 0.24658072316101 0.39670810450610 0.91792817799517 35.453 > 38 76 Cl 0.74658072316101 0.39670810450610 0.91792817799517 35.453 > 38 77 Cl 0.49663293176884 0.39800797460710 0.93029705975067 35.453 > 39 78 Cl 0.99663293176884 0.39800797460710 0.93029705975067 35.453 > 39 79 Cl 0.13984518767444 0.14837393013743 0.95382025784676 35.453 > 40 80 Cl 0.63984518767444 0.14837393013743 0.95382025784676 35.453 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4157015 0.0000000 0.0335226 0.0000000 3.4755562 0.0000000 0.0334997 0.0000000 3.4708887 -------------------------- Born effective charges -------------------------- 1 Ba 2.7526389 -0.0792778 0.0837922 0.0049031 2.6313678 -0.0987250 0.0116138 -0.1832165 2.9218228 2 Ba 2.5496575 -0.0456098 -0.0136011 0.0473819 2.9948216 0.1005028 0.0608271 -0.0101416 2.7816800 3 Ba 2.5496575 0.0456098 -0.0136011 -0.0473819 2.9948216 -0.1005028 0.0608271 0.0101416 2.7816800 4 Ba 2.7526389 0.0792778 0.0837922 -0.0049031 2.6313678 0.0987250 0.0116138 0.1832165 2.9218228 5 Ba 2.7526389 0.0792778 0.0837922 -0.0049031 2.6313678 0.0987250 0.0116138 0.1832165 2.9218228 6 Ba 2.5496575 0.0456098 -0.0136011 -0.0473819 2.9948216 -0.1005028 0.0608271 0.0101416 2.7816800 7 Ba 2.5496575 -0.0456098 -0.0136011 0.0473819 2.9948216 0.1005028 0.0608271 -0.0101416 2.7816800 8 Ba 2.7526389 -0.0792778 0.0837922 0.0049031 2.6313678 -0.0987250 0.0116138 -0.1832165 2.9218228 9 La 3.7433826 0.0353048 0.0598406 0.0764739 3.8816897 -0.2782872 0.0636646 -0.2172549 3.7854112 10 La 3.7433826 -0.0353048 0.0598406 -0.0764739 3.8816897 0.2782872 0.0636646 0.2172549 3.7854112 11 La 3.7433826 -0.0353048 0.0598406 -0.0764739 3.8816897 0.2782872 0.0636646 0.2172549 3.7854112 12 La 3.7433826 0.0353048 0.0598406 0.0764739 3.8816897 -0.2782872 0.0636646 -0.2172549 3.7854112 13 Cl -1.1369848 -0.1130858 0.2149968 -0.1039638 -0.8187445 0.0161725 0.2071137 0.0203674 -2.1005461 14 Cl -1.2460151 0.0055165 0.1848657 0.0101158 -1.1294799 -0.0723725 0.2085938 -0.0758506 -1.5745550 15 Cl -1.3020278 -0.0471921 -0.2277168 -0.0120452 -1.2213088 -0.0302515 -0.2205265 -0.0124813 -1.4613994 16 Cl -1.5505554 -0.2276500 -0.2501835 -0.2597641 -1.2075951 0.3471411 -0.2516041 0.3398598 -1.1306334 17 Cl -1.3696473 -0.2713695 0.0532710 -0.2763874 -1.4324029 -0.0239589 0.0506030 -0.0419536 -1.2505713 18 Cl -1.2792862 0.1733971 0.0483706 0.1980145 -1.5813945 -0.0208752 0.0210448 0.0068050 -1.1708897 19 Cl -1.1611623 0.3004160 -0.1536355 0.2703151 -2.1169534 -0.1911528 -0.1513300 -0.2187833 -0.8003191 20 Cl -1.1611623 -0.3004160 -0.1536355 -0.2703151 -2.1169534 0.1911528 -0.1513300 0.2187833 -0.8003191 21 Cl -1.2792862 -0.1733971 0.0483706 -0.1980145 -1.5813945 0.0208752 0.0210448 -0.0068050 -1.1708897 22 Cl -1.3696473 0.2713695 0.0532710 0.2763874 -1.4324029 0.0239589 0.0506030 0.0419536 -1.2505713 23 Cl -1.5505554 0.2276500 -0.2501835 0.2597641 -1.2075951 -0.3471411 -0.2516041 -0.3398598 -1.1306334 24 Cl -1.3020278 0.0471921 -0.2277168 0.0120452 -1.2213088 0.0302515 -0.2205265 0.0124813 -1.4613994 25 Cl -1.2460151 -0.0055165 0.1848657 -0.0101158 -1.1294799 0.0723725 0.2085938 0.0758506 -1.5745550 26 Cl -1.1369848 0.1130858 0.2149968 0.1039638 -0.8187445 -0.0161725 0.2071137 -0.0203674 -2.1005461 27 Cl -1.1369848 0.1130858 0.2149968 0.1039638 -0.8187445 -0.0161725 0.2071137 -0.0203674 -2.1005461 28 Cl -1.2460151 -0.0055165 0.1848657 -0.0101158 -1.1294799 0.0723725 0.2085938 0.0758506 -1.5745550 29 Cl -1.3020278 0.0471921 -0.2277168 0.0120452 -1.2213088 0.0302515 -0.2205265 0.0124813 -1.4613994 30 Cl -1.5505554 0.2276500 -0.2501835 0.2597641 -1.2075951 -0.3471411 -0.2516041 -0.3398598 -1.1306334 31 Cl -1.3696473 0.2713695 0.0532710 0.2763874 -1.4324029 0.0239589 0.0506030 0.0419536 -1.2505713 32 Cl -1.2792862 -0.1733971 0.0483706 -0.1980145 -1.5813945 0.0208752 0.0210448 -0.0068050 -1.1708897 33 Cl -1.1611623 -0.3004160 -0.1536355 -0.2703151 -2.1169534 0.1911528 -0.1513300 0.2187833 -0.8003191 34 Cl -1.1611623 0.3004160 -0.1536355 0.2703151 -2.1169534 -0.1911528 -0.1513300 -0.2187833 -0.8003191 35 Cl -1.2792862 0.1733971 0.0483706 0.1980145 -1.5813945 -0.0208752 0.0210448 0.0068050 -1.1708897 36 Cl -1.3696473 -0.2713695 0.0532710 -0.2763874 -1.4324029 -0.0239589 0.0506030 -0.0419536 -1.2505713 37 Cl -1.5505554 -0.2276500 -0.2501835 -0.2597641 -1.2075951 0.3471411 -0.2516041 0.3398598 -1.1306334 38 Cl -1.3020278 -0.0471921 -0.2277168 -0.0120452 -1.2213088 -0.0302515 -0.2205265 -0.0124813 -1.4613994 39 Cl -1.2460151 0.0055165 0.1848657 0.0101158 -1.1294799 -0.0723725 0.2085938 -0.0758506 -1.5745550 40 Cl -1.1369848 -0.1130858 0.2149968 -0.1039638 -0.8187445 0.0161725 0.2071137 0.0203674 -2.1005461 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.765 Solver_block: 200 / 1200 - Time: 0.646 Solver_block: 300 / 1200 - Time: 0.651 Solver_block: 400 / 1200 - Time: 0.641 Solver_block: 500 / 1200 - Time: 0.648 Solver_block: 600 / 1200 - Time: 0.656 Solver_block: 700 / 1200 - Time: 0.648 Solver_block: 800 / 1200 - Time: 0.654 Solver_block: 900 / 1200 - Time: 0.653 Solver_block: 1000 / 1200 - Time: 0.653 Solver_block: 1100 / 1200 - Time: 0.644 Solver_block: 1200 / 1200 - Time: 0.641 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.076 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3631), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:54:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:54:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.839760220865501 0.000000000000000 0.000000000000000 b 0.000000000000000 15.652365609999999 0.000000000000000 c -0.178737473626788 0.000000000000000 10.592708817903803 Atomic positions (fractional): 1 Ba 0.26494532473117 0.77737173609887 0.05476778754795 137.327 2 Ba 0.26599718225476 0.43779260176838 0.17358417686800 137.327 3 Ba 0.73400281774524 0.93779260176838 0.32641582313200 137.327 4 Ba 0.73505467526883 0.27737173609887 0.44523221245205 137.327 5 Ba 0.26494532473117 0.72262826390113 0.55476778754795 137.327 6 Ba 0.26599718225476 0.06220739823162 0.67358417686800 137.327 7 Ba 0.73400281774524 0.56220739823162 0.82641582313200 137.327 8 Ba 0.73505467526883 0.22262826390113 0.94523221245205 137.327 9 La 0.21877977310264 0.12613233657893 0.21223916273462 138.905 10 La 0.78122022689736 0.62613233657893 0.28776083726538 138.905 11 La 0.21877977310264 0.37386766342107 0.71223916273462 138.905 12 La 0.78122022689736 0.87386766342107 0.78776083726538 138.905 13 Cl 0.72030962465112 0.85162606986258 0.04617974215324 35.453 14 Cl 0.00673413646232 0.60199202539290 0.06970294024933 35.453 15 Cl 0.50683855367799 0.60329189549390 0.08207182200483 35.453 16 Cl 0.84814379538929 0.07042856274324 0.12155360017600 35.453 17 Cl 0.49554523573356 0.25991916752871 0.19025499459358 35.453 18 Cl 0.99114007095562 0.27598565248963 0.19744196183697 35.453 19 Cl 0.30303334189640 0.95301402812468 0.20869683485736 35.453 20 Cl 0.69696665810360 0.45301402812468 0.29130316514264 35.453 21 Cl 0.00885992904437 0.77598565248963 0.30255803816303 35.453 22 Cl 0.50445476426644 0.75991916752871 0.30974500540642 35.453 23 Cl 0.15185620461071 0.57042856274323 0.37844639982400 35.453 24 Cl 0.49316144632201 0.10329189549390 0.41792817799517 35.453 25 Cl 0.99326586353768 0.10199202539290 0.43029705975067 35.453 26 Cl 0.27969037534888 0.35162606986257 0.45382025784676 35.453 27 Cl 0.72030962465112 0.64837393013742 0.54617974215324 35.453 28 Cl 0.00673413646232 0.89800797460710 0.56970294024933 35.453 29 Cl 0.50683855367799 0.89670810450610 0.58207182200483 35.453 30 Cl 0.84814379538929 0.42957143725676 0.62155360017600 35.453 31 Cl 0.49554523573356 0.24008083247129 0.69025499459358 35.453 32 Cl 0.99114007095562 0.22401434751037 0.69744196183697 35.453 33 Cl 0.30303334189640 0.54698597187532 0.70869683485736 35.453 34 Cl 0.69696665810360 0.04698597187532 0.79130316514264 35.453 35 Cl 0.00885992904437 0.72401434751037 0.80255803816303 35.453 36 Cl 0.50445476426644 0.74008083247129 0.80974500540642 35.453 37 Cl 0.15185620461071 0.92957143725677 0.87844639982400 35.453 38 Cl 0.49316144632201 0.39670810450610 0.91792817799517 35.453 39 Cl 0.99326586353768 0.39800797460710 0.93029705975067 35.453 40 Cl 0.27969037534888 0.14837393013743 0.95382025784676 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.679520441731002 0.000000000000000 0.000000000000000 b 0.000000000000000 15.652365609999999 0.000000000000000 c -0.178737473626788 0.000000000000000 10.592708817903803 Atomic positions (fractional): 1 Ba 0.13247266236558 0.77737173609887 0.05476778754795 137.327 > 1 2 Ba 0.63247266236558 0.77737173609887 0.05476778754795 137.327 > 1 3 Ba 0.13299859112738 0.43779260176838 0.17358417686800 137.327 > 3 4 Ba 0.63299859112738 0.43779260176838 0.17358417686800 137.327 > 3 5 Ba 0.36700140887262 0.93779260176838 0.32641582313200 137.327 > 5 6 Ba 0.86700140887262 0.93779260176838 0.32641582313200 137.327 > 5 7 Ba 0.36752733763442 0.27737173609887 0.44523221245205 137.327 > 7 8 Ba 0.86752733763442 0.27737173609887 0.44523221245205 137.327 > 7 9 Ba 0.13247266236558 0.72262826390113 0.55476778754795 137.327 > 9 10 Ba 0.63247266236558 0.72262826390113 0.55476778754795 137.327 > 9 11 Ba 0.13299859112738 0.06220739823162 0.67358417686800 137.327 > 11 12 Ba 0.63299859112738 0.06220739823162 0.67358417686800 137.327 > 11 13 Ba 0.36700140887262 0.56220739823162 0.82641582313200 137.327 > 13 14 Ba 0.86700140887262 0.56220739823162 0.82641582313200 137.327 > 13 15 Ba 0.36752733763442 0.22262826390113 0.94523221245205 137.327 > 15 16 Ba 0.86752733763442 0.22262826390113 0.94523221245205 137.327 > 15 17 La 0.10938988655132 0.12613233657893 0.21223916273462 138.905 > 17 18 La 0.60938988655132 0.12613233657893 0.21223916273462 138.905 > 17 19 La 0.39061011344868 0.62613233657893 0.28776083726538 138.905 > 19 20 La 0.89061011344868 0.62613233657893 0.28776083726538 138.905 > 19 21 La 0.10938988655132 0.37386766342107 0.71223916273462 138.905 > 21 22 La 0.60938988655132 0.37386766342107 0.71223916273462 138.905 > 21 23 La 0.39061011344868 0.87386766342107 0.78776083726538 138.905 > 23 24 La 0.89061011344868 0.87386766342107 0.78776083726538 138.905 > 23 25 Cl 0.36015481232556 0.85162606986258 0.04617974215324 35.453 > 25 26 Cl 0.86015481232556 0.85162606986258 0.04617974215324 35.453 > 25 27 Cl 0.00336706823116 0.60199202539290 0.06970294024933 35.453 > 27 28 Cl 0.50336706823116 0.60199202539290 0.06970294024933 35.453 > 27 29 Cl 0.25341927683899 0.60329189549390 0.08207182200483 35.453 > 29 30 Cl 0.75341927683899 0.60329189549390 0.08207182200483 35.453 > 29 31 Cl 0.42407189769464 0.07042856274324 0.12155360017600 35.453 > 31 32 Cl 0.92407189769464 0.07042856274324 0.12155360017600 35.453 > 31 33 Cl 0.24777261786678 0.25991916752871 0.19025499459358 35.453 > 33 34 Cl 0.74777261786678 0.25991916752871 0.19025499459358 35.453 > 33 35 Cl 0.49557003547781 0.27598565248963 0.19744196183697 35.453 > 35 36 Cl 0.99557003547781 0.27598565248963 0.19744196183697 35.453 > 35 37 Cl 0.15151667094820 0.95301402812468 0.20869683485736 35.453 > 37 38 Cl 0.65151667094820 0.95301402812468 0.20869683485736 35.453 > 37 39 Cl 0.34848332905180 0.45301402812468 0.29130316514264 35.453 > 39 40 Cl 0.84848332905180 0.45301402812468 0.29130316514264 35.453 > 39 41 Cl 0.00442996452219 0.77598565248963 0.30255803816303 35.453 > 41 42 Cl 0.50442996452219 0.77598565248963 0.30255803816303 35.453 > 41 43 Cl 0.25222738213322 0.75991916752871 0.30974500540642 35.453 > 43 44 Cl 0.75222738213322 0.75991916752871 0.30974500540642 35.453 > 43 45 Cl 0.07592810230536 0.57042856274323 0.37844639982400 35.453 > 45 46 Cl 0.57592810230535 0.57042856274323 0.37844639982400 35.453 > 45 47 Cl 0.24658072316101 0.10329189549390 0.41792817799517 35.453 > 47 48 Cl 0.74658072316101 0.10329189549390 0.41792817799517 35.453 > 47 49 Cl 0.49663293176884 0.10199202539290 0.43029705975067 35.453 > 49 50 Cl 0.99663293176884 0.10199202539290 0.43029705975067 35.453 > 49 51 Cl 0.13984518767444 0.35162606986257 0.45382025784676 35.453 > 51 52 Cl 0.63984518767444 0.35162606986257 0.45382025784676 35.453 > 51 53 Cl 0.36015481232556 0.64837393013742 0.54617974215324 35.453 > 53 54 Cl 0.86015481232556 0.64837393013742 0.54617974215324 35.453 > 53 55 Cl 0.00336706823116 0.89800797460710 0.56970294024933 35.453 > 55 56 Cl 0.50336706823116 0.89800797460710 0.56970294024933 35.453 > 55 57 Cl 0.25341927683899 0.89670810450610 0.58207182200483 35.453 > 57 58 Cl 0.75341927683899 0.89670810450610 0.58207182200483 35.453 > 57 59 Cl 0.42407189769464 0.42957143725676 0.62155360017600 35.453 > 59 60 Cl 0.92407189769464 0.42957143725676 0.62155360017600 35.453 > 59 61 Cl 0.24777261786678 0.24008083247129 0.69025499459358 35.453 > 61 62 Cl 0.74777261786678 0.24008083247129 0.69025499459358 35.453 > 61 63 Cl 0.49557003547781 0.22401434751037 0.69744196183697 35.453 > 63 64 Cl 0.99557003547781 0.22401434751037 0.69744196183697 35.453 > 63 65 Cl 0.15151667094820 0.54698597187532 0.70869683485736 35.453 > 65 66 Cl 0.65151667094820 0.54698597187532 0.70869683485736 35.453 > 65 67 Cl 0.34848332905180 0.04698597187532 0.79130316514264 35.453 > 67 68 Cl 0.84848332905180 0.04698597187532 0.79130316514264 35.453 > 67 69 Cl 0.00442996452219 0.72401434751037 0.80255803816303 35.453 > 69 70 Cl 0.50442996452219 0.72401434751037 0.80255803816303 35.453 > 69 71 Cl 0.25222738213322 0.74008083247129 0.80974500540642 35.453 > 71 72 Cl 0.75222738213322 0.74008083247129 0.80974500540642 35.453 > 71 73 Cl 0.07592810230536 0.92957143725677 0.87844639982400 35.453 > 73 74 Cl 0.57592810230535 0.92957143725677 0.87844639982400 35.453 > 73 75 Cl 0.24658072316101 0.39670810450610 0.91792817799517 35.453 > 75 76 Cl 0.74658072316101 0.39670810450610 0.91792817799517 35.453 > 75 77 Cl 0.49663293176884 0.39800797460710 0.93029705975067 35.453 > 77 78 Cl 0.99663293176884 0.39800797460710 0.93029705975067 35.453 > 77 79 Cl 0.13984518767444 0.14837393013743 0.95382025784676 35.453 > 79 80 Cl 0.63984518767444 0.14837393013743 0.95382025784676 35.453 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4157015 0.0000000 0.0335226 0.0000000 3.4755562 0.0000000 0.0334997 0.0000000 3.4708887 -------------------------- Born effective charges -------------------------- 1 Ba 2.7526389 -0.0792778 0.0837922 0.0049031 2.6313678 -0.0987250 0.0116138 -0.1832165 2.9218228 2 Ba 2.5496575 -0.0456098 -0.0136011 0.0473819 2.9948216 0.1005028 0.0608271 -0.0101416 2.7816800 3 Ba 2.5496575 0.0456098 -0.0136011 -0.0473819 2.9948216 -0.1005028 0.0608271 0.0101416 2.7816800 4 Ba 2.7526389 0.0792778 0.0837922 -0.0049031 2.6313678 0.0987250 0.0116138 0.1832165 2.9218228 5 Ba 2.7526389 0.0792778 0.0837922 -0.0049031 2.6313678 0.0987250 0.0116138 0.1832165 2.9218228 6 Ba 2.5496575 0.0456098 -0.0136011 -0.0473819 2.9948216 -0.1005028 0.0608271 0.0101416 2.7816800 7 Ba 2.5496575 -0.0456098 -0.0136011 0.0473819 2.9948216 0.1005028 0.0608271 -0.0101416 2.7816800 8 Ba 2.7526389 -0.0792778 0.0837922 0.0049031 2.6313678 -0.0987250 0.0116138 -0.1832165 2.9218228 9 La 3.7433826 0.0353048 0.0598406 0.0764739 3.8816897 -0.2782872 0.0636646 -0.2172549 3.7854112 10 La 3.7433826 -0.0353048 0.0598406 -0.0764739 3.8816897 0.2782872 0.0636646 0.2172549 3.7854112 11 La 3.7433826 -0.0353048 0.0598406 -0.0764739 3.8816897 0.2782872 0.0636646 0.2172549 3.7854112 12 La 3.7433826 0.0353048 0.0598406 0.0764739 3.8816897 -0.2782872 0.0636646 -0.2172549 3.7854112 13 Cl -1.1369848 -0.1130858 0.2149968 -0.1039638 -0.8187445 0.0161725 0.2071137 0.0203674 -2.1005461 14 Cl -1.2460151 0.0055165 0.1848657 0.0101158 -1.1294799 -0.0723725 0.2085938 -0.0758506 -1.5745550 15 Cl -1.3020278 -0.0471921 -0.2277168 -0.0120452 -1.2213088 -0.0302515 -0.2205265 -0.0124813 -1.4613994 16 Cl -1.5505554 -0.2276500 -0.2501835 -0.2597641 -1.2075951 0.3471411 -0.2516041 0.3398598 -1.1306334 17 Cl -1.3696473 -0.2713695 0.0532710 -0.2763874 -1.4324029 -0.0239589 0.0506030 -0.0419536 -1.2505713 18 Cl -1.2792862 0.1733971 0.0483706 0.1980145 -1.5813945 -0.0208752 0.0210448 0.0068050 -1.1708897 19 Cl -1.1611623 0.3004160 -0.1536355 0.2703151 -2.1169534 -0.1911528 -0.1513300 -0.2187833 -0.8003191 20 Cl -1.1611623 -0.3004160 -0.1536355 -0.2703151 -2.1169534 0.1911528 -0.1513300 0.2187833 -0.8003191 21 Cl -1.2792862 -0.1733971 0.0483706 -0.1980145 -1.5813945 0.0208752 0.0210448 -0.0068050 -1.1708897 22 Cl -1.3696473 0.2713695 0.0532710 0.2763874 -1.4324029 0.0239589 0.0506030 0.0419536 -1.2505713 23 Cl -1.5505554 0.2276500 -0.2501835 0.2597641 -1.2075951 -0.3471411 -0.2516041 -0.3398598 -1.1306334 24 Cl -1.3020278 0.0471921 -0.2277168 0.0120452 -1.2213088 0.0302515 -0.2205265 0.0124813 -1.4613994 25 Cl -1.2460151 -0.0055165 0.1848657 -0.0101158 -1.1294799 0.0723725 0.2085938 0.0758506 -1.5745550 26 Cl -1.1369848 0.1130858 0.2149968 0.1039638 -0.8187445 -0.0161725 0.2071137 -0.0203674 -2.1005461 27 Cl -1.1369848 0.1130858 0.2149968 0.1039638 -0.8187445 -0.0161725 0.2071137 -0.0203674 -2.1005461 28 Cl -1.2460151 -0.0055165 0.1848657 -0.0101158 -1.1294799 0.0723725 0.2085938 0.0758506 -1.5745550 29 Cl -1.3020278 0.0471921 -0.2277168 0.0120452 -1.2213088 0.0302515 -0.2205265 0.0124813 -1.4613994 30 Cl -1.5505554 0.2276500 -0.2501835 0.2597641 -1.2075951 -0.3471411 -0.2516041 -0.3398598 -1.1306334 31 Cl -1.3696473 0.2713695 0.0532710 0.2763874 -1.4324029 0.0239589 0.0506030 0.0419536 -1.2505713 32 Cl -1.2792862 -0.1733971 0.0483706 -0.1980145 -1.5813945 0.0208752 0.0210448 -0.0068050 -1.1708897 33 Cl -1.1611623 -0.3004160 -0.1536355 -0.2703151 -2.1169534 0.1911528 -0.1513300 0.2187833 -0.8003191 34 Cl -1.1611623 0.3004160 -0.1536355 0.2703151 -2.1169534 -0.1911528 -0.1513300 -0.2187833 -0.8003191 35 Cl -1.2792862 0.1733971 0.0483706 0.1980145 -1.5813945 -0.0208752 0.0210448 0.0068050 -1.1708897 36 Cl -1.3696473 -0.2713695 0.0532710 -0.2763874 -1.4324029 -0.0239589 0.0506030 -0.0419536 -1.2505713 37 Cl -1.5505554 -0.2276500 -0.2501835 -0.2597641 -1.2075951 0.3471411 -0.2516041 0.3398598 -1.1306334 38 Cl -1.3020278 -0.0471921 -0.2277168 -0.0120452 -1.2213088 -0.0302515 -0.2205265 -0.0124813 -1.4613994 39 Cl -1.2460151 0.0055165 0.1848657 0.0101158 -1.1294799 -0.0723725 0.2085938 -0.0758506 -1.5745550 40 Cl -1.1369848 -0.1130858 0.2149968 -0.1039638 -0.8187445 0.0161725 0.2071137 0.0203674 -2.1005461 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 17, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 27, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 29, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 31, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 33, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 35, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:54:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:54:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.839760220865501 0.000000000000000 0.000000000000000 b 0.000000000000000 15.652365609999999 0.000000000000000 c -0.178737473626788 0.000000000000000 10.592708817903803 Atomic positions (fractional): 1 Ba 0.26494532473117 0.77737173609887 0.05476778754795 137.327 2 Ba 0.26599718225476 0.43779260176838 0.17358417686800 137.327 3 Ba 0.73400281774524 0.93779260176838 0.32641582313200 137.327 4 Ba 0.73505467526883 0.27737173609887 0.44523221245205 137.327 5 Ba 0.26494532473117 0.72262826390113 0.55476778754795 137.327 6 Ba 0.26599718225476 0.06220739823162 0.67358417686800 137.327 7 Ba 0.73400281774524 0.56220739823162 0.82641582313200 137.327 8 Ba 0.73505467526883 0.22262826390113 0.94523221245205 137.327 9 La 0.21877977310264 0.12613233657893 0.21223916273462 138.905 10 La 0.78122022689736 0.62613233657893 0.28776083726538 138.905 11 La 0.21877977310264 0.37386766342107 0.71223916273462 138.905 12 La 0.78122022689736 0.87386766342107 0.78776083726538 138.905 13 Cl 0.72030962465112 0.85162606986258 0.04617974215324 35.453 14 Cl 0.00673413646232 0.60199202539290 0.06970294024933 35.453 15 Cl 0.50683855367799 0.60329189549390 0.08207182200483 35.453 16 Cl 0.84814379538929 0.07042856274324 0.12155360017600 35.453 17 Cl 0.49554523573356 0.25991916752871 0.19025499459358 35.453 18 Cl 0.99114007095562 0.27598565248963 0.19744196183697 35.453 19 Cl 0.30303334189640 0.95301402812468 0.20869683485736 35.453 20 Cl 0.69696665810360 0.45301402812468 0.29130316514264 35.453 21 Cl 0.00885992904437 0.77598565248963 0.30255803816303 35.453 22 Cl 0.50445476426644 0.75991916752871 0.30974500540642 35.453 23 Cl 0.15185620461071 0.57042856274323 0.37844639982400 35.453 24 Cl 0.49316144632201 0.10329189549390 0.41792817799517 35.453 25 Cl 0.99326586353768 0.10199202539290 0.43029705975067 35.453 26 Cl 0.27969037534888 0.35162606986257 0.45382025784676 35.453 27 Cl 0.72030962465112 0.64837393013742 0.54617974215324 35.453 28 Cl 0.00673413646232 0.89800797460710 0.56970294024933 35.453 29 Cl 0.50683855367799 0.89670810450610 0.58207182200483 35.453 30 Cl 0.84814379538929 0.42957143725676 0.62155360017600 35.453 31 Cl 0.49554523573356 0.24008083247129 0.69025499459358 35.453 32 Cl 0.99114007095562 0.22401434751037 0.69744196183697 35.453 33 Cl 0.30303334189640 0.54698597187532 0.70869683485736 35.453 34 Cl 0.69696665810360 0.04698597187532 0.79130316514264 35.453 35 Cl 0.00885992904437 0.72401434751037 0.80255803816303 35.453 36 Cl 0.50445476426644 0.74008083247129 0.80974500540642 35.453 37 Cl 0.15185620461071 0.92957143725677 0.87844639982400 35.453 38 Cl 0.49316144632201 0.39670810450610 0.91792817799517 35.453 39 Cl 0.99326586353768 0.39800797460710 0.93029705975067 35.453 40 Cl 0.27969037534888 0.14837393013743 0.95382025784676 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.679520441731002 0.000000000000000 0.000000000000000 b 0.000000000000000 15.652365609999999 0.000000000000000 c -0.178737473626788 0.000000000000000 10.592708817903803 Atomic positions (fractional): 1 Ba 0.13247266236558 0.77737173609887 0.05476778754795 137.327 > 1 2 Ba 0.63247266236558 0.77737173609887 0.05476778754795 137.327 > 1 3 Ba 0.13299859112738 0.43779260176838 0.17358417686800 137.327 > 3 4 Ba 0.63299859112738 0.43779260176838 0.17358417686800 137.327 > 3 5 Ba 0.36700140887262 0.93779260176838 0.32641582313200 137.327 > 5 6 Ba 0.86700140887262 0.93779260176838 0.32641582313200 137.327 > 5 7 Ba 0.36752733763442 0.27737173609887 0.44523221245205 137.327 > 7 8 Ba 0.86752733763442 0.27737173609887 0.44523221245205 137.327 > 7 9 Ba 0.13247266236558 0.72262826390113 0.55476778754795 137.327 > 9 10 Ba 0.63247266236558 0.72262826390113 0.55476778754795 137.327 > 9 11 Ba 0.13299859112738 0.06220739823162 0.67358417686800 137.327 > 11 12 Ba 0.63299859112738 0.06220739823162 0.67358417686800 137.327 > 11 13 Ba 0.36700140887262 0.56220739823162 0.82641582313200 137.327 > 13 14 Ba 0.86700140887262 0.56220739823162 0.82641582313200 137.327 > 13 15 Ba 0.36752733763442 0.22262826390113 0.94523221245205 137.327 > 15 16 Ba 0.86752733763442 0.22262826390113 0.94523221245205 137.327 > 15 17 La 0.10938988655132 0.12613233657893 0.21223916273462 138.905 > 17 18 La 0.60938988655132 0.12613233657893 0.21223916273462 138.905 > 17 19 La 0.39061011344868 0.62613233657893 0.28776083726538 138.905 > 19 20 La 0.89061011344868 0.62613233657893 0.28776083726538 138.905 > 19 21 La 0.10938988655132 0.37386766342107 0.71223916273462 138.905 > 21 22 La 0.60938988655132 0.37386766342107 0.71223916273462 138.905 > 21 23 La 0.39061011344868 0.87386766342107 0.78776083726538 138.905 > 23 24 La 0.89061011344868 0.87386766342107 0.78776083726538 138.905 > 23 25 Cl 0.36015481232556 0.85162606986258 0.04617974215324 35.453 > 25 26 Cl 0.86015481232556 0.85162606986258 0.04617974215324 35.453 > 25 27 Cl 0.00336706823116 0.60199202539290 0.06970294024933 35.453 > 27 28 Cl 0.50336706823116 0.60199202539290 0.06970294024933 35.453 > 27 29 Cl 0.25341927683899 0.60329189549390 0.08207182200483 35.453 > 29 30 Cl 0.75341927683899 0.60329189549390 0.08207182200483 35.453 > 29 31 Cl 0.42407189769464 0.07042856274324 0.12155360017600 35.453 > 31 32 Cl 0.92407189769464 0.07042856274324 0.12155360017600 35.453 > 31 33 Cl 0.24777261786678 0.25991916752871 0.19025499459358 35.453 > 33 34 Cl 0.74777261786678 0.25991916752871 0.19025499459358 35.453 > 33 35 Cl 0.49557003547781 0.27598565248963 0.19744196183697 35.453 > 35 36 Cl 0.99557003547781 0.27598565248963 0.19744196183697 35.453 > 35 37 Cl 0.15151667094820 0.95301402812468 0.20869683485736 35.453 > 37 38 Cl 0.65151667094820 0.95301402812468 0.20869683485736 35.453 > 37 39 Cl 0.34848332905180 0.45301402812468 0.29130316514264 35.453 > 39 40 Cl 0.84848332905180 0.45301402812468 0.29130316514264 35.453 > 39 41 Cl 0.00442996452219 0.77598565248963 0.30255803816303 35.453 > 41 42 Cl 0.50442996452219 0.77598565248963 0.30255803816303 35.453 > 41 43 Cl 0.25222738213322 0.75991916752871 0.30974500540642 35.453 > 43 44 Cl 0.75222738213322 0.75991916752871 0.30974500540642 35.453 > 43 45 Cl 0.07592810230536 0.57042856274323 0.37844639982400 35.453 > 45 46 Cl 0.57592810230535 0.57042856274323 0.37844639982400 35.453 > 45 47 Cl 0.24658072316101 0.10329189549390 0.41792817799517 35.453 > 47 48 Cl 0.74658072316101 0.10329189549390 0.41792817799517 35.453 > 47 49 Cl 0.49663293176884 0.10199202539290 0.43029705975067 35.453 > 49 50 Cl 0.99663293176884 0.10199202539290 0.43029705975067 35.453 > 49 51 Cl 0.13984518767444 0.35162606986257 0.45382025784676 35.453 > 51 52 Cl 0.63984518767444 0.35162606986257 0.45382025784676 35.453 > 51 53 Cl 0.36015481232556 0.64837393013742 0.54617974215324 35.453 > 53 54 Cl 0.86015481232556 0.64837393013742 0.54617974215324 35.453 > 53 55 Cl 0.00336706823116 0.89800797460710 0.56970294024933 35.453 > 55 56 Cl 0.50336706823116 0.89800797460710 0.56970294024933 35.453 > 55 57 Cl 0.25341927683899 0.89670810450610 0.58207182200483 35.453 > 57 58 Cl 0.75341927683899 0.89670810450610 0.58207182200483 35.453 > 57 59 Cl 0.42407189769464 0.42957143725676 0.62155360017600 35.453 > 59 60 Cl 0.92407189769464 0.42957143725676 0.62155360017600 35.453 > 59 61 Cl 0.24777261786678 0.24008083247129 0.69025499459358 35.453 > 61 62 Cl 0.74777261786678 0.24008083247129 0.69025499459358 35.453 > 61 63 Cl 0.49557003547781 0.22401434751037 0.69744196183697 35.453 > 63 64 Cl 0.99557003547781 0.22401434751037 0.69744196183697 35.453 > 63 65 Cl 0.15151667094820 0.54698597187532 0.70869683485736 35.453 > 65 66 Cl 0.65151667094820 0.54698597187532 0.70869683485736 35.453 > 65 67 Cl 0.34848332905180 0.04698597187532 0.79130316514264 35.453 > 67 68 Cl 0.84848332905180 0.04698597187532 0.79130316514264 35.453 > 67 69 Cl 0.00442996452219 0.72401434751037 0.80255803816303 35.453 > 69 70 Cl 0.50442996452219 0.72401434751037 0.80255803816303 35.453 > 69 71 Cl 0.25222738213322 0.74008083247129 0.80974500540642 35.453 > 71 72 Cl 0.75222738213322 0.74008083247129 0.80974500540642 35.453 > 71 73 Cl 0.07592810230536 0.92957143725677 0.87844639982400 35.453 > 73 74 Cl 0.57592810230535 0.92957143725677 0.87844639982400 35.453 > 73 75 Cl 0.24658072316101 0.39670810450610 0.91792817799517 35.453 > 75 76 Cl 0.74658072316101 0.39670810450610 0.91792817799517 35.453 > 75 77 Cl 0.49663293176884 0.39800797460710 0.93029705975067 35.453 > 77 78 Cl 0.99663293176884 0.39800797460710 0.93029705975067 35.453 > 77 79 Cl 0.13984518767444 0.14837393013743 0.95382025784676 35.453 > 79 80 Cl 0.63984518767444 0.14837393013743 0.95382025784676 35.453 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4157015 0.0000000 0.0335226 0.0000000 3.4755562 0.0000000 0.0334997 0.0000000 3.4708887 -------------------------- Born effective charges -------------------------- 1 Ba 2.7526389 -0.0792778 0.0837922 0.0049031 2.6313678 -0.0987250 0.0116138 -0.1832165 2.9218228 2 Ba 2.5496575 -0.0456098 -0.0136011 0.0473819 2.9948216 0.1005028 0.0608271 -0.0101416 2.7816800 3 Ba 2.5496575 0.0456098 -0.0136011 -0.0473819 2.9948216 -0.1005028 0.0608271 0.0101416 2.7816800 4 Ba 2.7526389 0.0792778 0.0837922 -0.0049031 2.6313678 0.0987250 0.0116138 0.1832165 2.9218228 5 Ba 2.7526389 0.0792778 0.0837922 -0.0049031 2.6313678 0.0987250 0.0116138 0.1832165 2.9218228 6 Ba 2.5496575 0.0456098 -0.0136011 -0.0473819 2.9948216 -0.1005028 0.0608271 0.0101416 2.7816800 7 Ba 2.5496575 -0.0456098 -0.0136011 0.0473819 2.9948216 0.1005028 0.0608271 -0.0101416 2.7816800 8 Ba 2.7526389 -0.0792778 0.0837922 0.0049031 2.6313678 -0.0987250 0.0116138 -0.1832165 2.9218228 9 La 3.7433826 0.0353048 0.0598406 0.0764739 3.8816897 -0.2782872 0.0636646 -0.2172549 3.7854112 10 La 3.7433826 -0.0353048 0.0598406 -0.0764739 3.8816897 0.2782872 0.0636646 0.2172549 3.7854112 11 La 3.7433826 -0.0353048 0.0598406 -0.0764739 3.8816897 0.2782872 0.0636646 0.2172549 3.7854112 12 La 3.7433826 0.0353048 0.0598406 0.0764739 3.8816897 -0.2782872 0.0636646 -0.2172549 3.7854112 13 Cl -1.1369848 -0.1130858 0.2149968 -0.1039638 -0.8187445 0.0161725 0.2071137 0.0203674 -2.1005461 14 Cl -1.2460151 0.0055165 0.1848657 0.0101158 -1.1294799 -0.0723725 0.2085938 -0.0758506 -1.5745550 15 Cl -1.3020278 -0.0471921 -0.2277168 -0.0120452 -1.2213088 -0.0302515 -0.2205265 -0.0124813 -1.4613994 16 Cl -1.5505554 -0.2276500 -0.2501835 -0.2597641 -1.2075951 0.3471411 -0.2516041 0.3398598 -1.1306334 17 Cl -1.3696473 -0.2713695 0.0532710 -0.2763874 -1.4324029 -0.0239589 0.0506030 -0.0419536 -1.2505713 18 Cl -1.2792862 0.1733971 0.0483706 0.1980145 -1.5813945 -0.0208752 0.0210448 0.0068050 -1.1708897 19 Cl -1.1611623 0.3004160 -0.1536355 0.2703151 -2.1169534 -0.1911528 -0.1513300 -0.2187833 -0.8003191 20 Cl -1.1611623 -0.3004160 -0.1536355 -0.2703151 -2.1169534 0.1911528 -0.1513300 0.2187833 -0.8003191 21 Cl -1.2792862 -0.1733971 0.0483706 -0.1980145 -1.5813945 0.0208752 0.0210448 -0.0068050 -1.1708897 22 Cl -1.3696473 0.2713695 0.0532710 0.2763874 -1.4324029 0.0239589 0.0506030 0.0419536 -1.2505713 23 Cl -1.5505554 0.2276500 -0.2501835 0.2597641 -1.2075951 -0.3471411 -0.2516041 -0.3398598 -1.1306334 24 Cl -1.3020278 0.0471921 -0.2277168 0.0120452 -1.2213088 0.0302515 -0.2205265 0.0124813 -1.4613994 25 Cl -1.2460151 -0.0055165 0.1848657 -0.0101158 -1.1294799 0.0723725 0.2085938 0.0758506 -1.5745550 26 Cl -1.1369848 0.1130858 0.2149968 0.1039638 -0.8187445 -0.0161725 0.2071137 -0.0203674 -2.1005461 27 Cl -1.1369848 0.1130858 0.2149968 0.1039638 -0.8187445 -0.0161725 0.2071137 -0.0203674 -2.1005461 28 Cl -1.2460151 -0.0055165 0.1848657 -0.0101158 -1.1294799 0.0723725 0.2085938 0.0758506 -1.5745550 29 Cl -1.3020278 0.0471921 -0.2277168 0.0120452 -1.2213088 0.0302515 -0.2205265 0.0124813 -1.4613994 30 Cl -1.5505554 0.2276500 -0.2501835 0.2597641 -1.2075951 -0.3471411 -0.2516041 -0.3398598 -1.1306334 31 Cl -1.3696473 0.2713695 0.0532710 0.2763874 -1.4324029 0.0239589 0.0506030 0.0419536 -1.2505713 32 Cl -1.2792862 -0.1733971 0.0483706 -0.1980145 -1.5813945 0.0208752 0.0210448 -0.0068050 -1.1708897 33 Cl -1.1611623 -0.3004160 -0.1536355 -0.2703151 -2.1169534 0.1911528 -0.1513300 0.2187833 -0.8003191 34 Cl -1.1611623 0.3004160 -0.1536355 0.2703151 -2.1169534 -0.1911528 -0.1513300 -0.2187833 -0.8003191 35 Cl -1.2792862 0.1733971 0.0483706 0.1980145 -1.5813945 -0.0208752 0.0210448 0.0068050 -1.1708897 36 Cl -1.3696473 -0.2713695 0.0532710 -0.2763874 -1.4324029 -0.0239589 0.0506030 -0.0419536 -1.2505713 37 Cl -1.5505554 -0.2276500 -0.2501835 -0.2597641 -1.2075951 0.3471411 -0.2516041 0.3398598 -1.1306334 38 Cl -1.3020278 -0.0471921 -0.2277168 -0.0120452 -1.2213088 -0.0302515 -0.2205265 -0.0124813 -1.4613994 39 Cl -1.2460151 0.0055165 0.1848657 0.0101158 -1.1294799 -0.0723725 0.2085938 -0.0758506 -1.5745550 40 Cl -1.1369848 -0.1130858 0.2149968 -0.1039638 -0.8187445 0.0161725 0.2071137 0.0203674 -2.1005461 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 3 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.40, Number of G-points: 289, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.839 ( 0.000 0.000 0.000) 0.000 0.991 ( 0.000 0.000 0.000) 0.000 1.051 ( 0.000 0.000 0.000) 0.000 1.179 ( 0.000 0.000 0.000) 0.000 1.270 ( 0.000 0.000 0.000) 0.000 1.285 ( 0.000 0.000 0.000) 0.000 1.403 ( 0.000 0.000 0.000) 0.000 1.462 ( 0.000 0.000 0.000) 0.000 1.492 ( 0.000 0.000 0.000) 0.000 1.548 ( 0.000 0.000 0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.659 ( 0.000 0.000 0.000) 0.000 1.686 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.758 ( 0.000 0.000 0.000) 0.000 1.921 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.091 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.184 ( 0.000 0.000 0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.265 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.415 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.619 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 0.000) 0.000 2.720 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 2.806 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.900 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.019 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.493 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 0.000) 0.000 4.027 ( 0.000 0.000 0.000) 0.000 4.031 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.530 ( 0.000 0.000 0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.772 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 4.860 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.065 ( 0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.324 ( 0.000 0.000 0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.519 ( 0.000 0.000 0.000) 0.000 5.537 ( 0.000 0.000 0.000) 0.000 5.589 ( 0.000 0.000 0.000) 0.000 5.623 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 5.731 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 5.998 ( 0.000 0.000 0.000) 0.000 6.047 ( 0.000 0.000 0.000) 0.000 6.072 ( 0.000 0.000 0.000) 0.000 6.158 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.205 ( 0.000 0.000 0.000) 0.000 6.335 ( 0.000 0.000 0.000) 0.000 6.393 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 6.467 ( 0.000 0.000 0.000) 0.000 6.561 ( 0.000 0.000 0.000) 0.000 6.687 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 7.288 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.402 ( 0.000 0.000 0.000) 0.000 7.426 ( 0.000 0.000 0.000) 0.000 7.472 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 18.122 0.000 2.673) 18.318 0.404 ( 19.201 0.000 0.212) 19.202 0.603 ( 24.758 0.000 1.018) 24.779 0.699 ( -11.386 0.000 2.439) 11.644 0.947 ( -4.134 0.000 0.898) 4.231 1.131 ( 1.708 0.000 -1.809) 2.487 1.175 ( -0.119 0.000 0.866) 0.874 1.290 ( 2.391 0.000 -3.549) 4.279 1.298 ( 2.538 0.000 2.105) 3.298 1.391 ( 2.112 0.000 -4.312) 4.801 1.427 ( -4.239 0.000 2.473) 4.908 1.523 ( -0.057 0.000 -1.097) 1.099 1.533 ( -3.300 0.000 1.287) 3.543 1.571 ( -3.851 0.000 -5.752) 6.922 1.608 ( -2.059 0.000 -2.857) 3.522 1.734 ( 2.503 0.000 2.522) 3.554 1.737 ( 0.278 0.000 0.623) 0.683 1.753 ( 2.961 0.000 1.014) 3.130 1.787 ( 1.044 0.000 7.703) 7.773 1.872 ( -2.265 0.000 -4.761) 5.273 1.954 ( -3.547 0.000 -7.162) 7.993 1.978 ( 2.012 0.000 0.530) 2.080 2.037 ( -2.968 0.000 -1.148) 3.183 2.053 ( 0.187 0.000 1.271) 1.285 2.060 ( 1.686 0.000 3.006) 3.447 2.096 ( -8.347 0.000 1.640) 8.507 2.127 ( -2.151 0.000 -1.323) 2.525 2.171 ( -2.044 0.000 -2.426) 3.172 2.218 ( -3.718 0.000 2.742) 4.620 2.246 ( 1.712 0.000 2.529) 3.054 2.378 ( 5.069 0.000 0.952) 5.158 2.380 ( 2.766 0.000 -2.785) 3.925 2.415 ( -3.240 0.000 0.604) 3.296 2.438 ( 3.980 0.000 0.043) 3.981 2.460 ( -0.644 0.000 1.089) 1.265 2.528 ( 4.223 0.000 -2.814) 5.074 2.533 ( 5.168 0.000 0.572) 5.200 2.670 ( 5.129 0.000 -0.717) 5.178 2.711 ( 0.253 0.000 -2.040) 2.056 2.757 ( -1.024 0.000 0.659) 1.218 2.779 ( 1.122 0.000 -2.677) 2.903 2.824 ( 3.450 0.000 1.729) 3.859 2.845 ( 2.887 0.000 0.796) 2.995 2.893 ( -0.335 0.000 -1.958) 1.987 2.977 ( 4.656 0.000 -1.082) 4.780 2.982 ( 0.632 0.000 -0.915) 1.112 3.011 ( 3.096 0.000 2.871) 4.223 3.053 ( 1.685 0.000 -0.929) 1.924 3.060 ( 2.855 0.000 1.516) 3.233 3.106 ( 7.823 0.000 -1.342) 7.938 3.132 ( -0.755 0.000 2.495) 2.607 3.200 ( 0.494 0.000 -0.977) 1.095 3.229 ( -2.086 0.000 -2.619) 3.348 3.320 ( 5.496 0.000 1.268) 5.641 3.351 ( -2.032 0.000 -2.942) 3.576 3.389 ( 3.075 0.000 -0.221) 3.083 3.490 ( -0.364 0.000 0.984) 1.049 3.495 ( 6.413 0.000 4.325) 7.735 3.628 ( 8.963 0.000 -0.902) 9.008 3.673 ( 2.092 0.000 -2.287) 3.099 3.717 ( 2.540 0.000 0.148) 2.545 3.743 ( 1.251 0.000 4.730) 4.892 3.788 ( 6.281 0.000 0.797) 6.332 3.875 ( 3.283 0.000 -3.779) 5.007 3.885 ( 1.575 0.000 4.022) 4.319 3.974 ( 2.763 0.000 0.904) 2.907 4.048 ( 1.902 0.000 0.670) 2.017 4.134 ( 2.820 0.000 0.182) 2.825 4.172 ( 5.347 0.000 -1.696) 5.610 4.207 ( 5.124 0.000 1.634) 5.378 4.254 ( -0.006 0.000 -0.912) 0.912 4.311 ( -1.732 0.000 9.871) 10.022 4.385 ( 1.930 0.000 -1.569) 2.487 4.427 ( -1.561 0.000 2.151) 2.658 4.489 ( 1.487 0.000 -4.511) 4.750 4.585 ( 4.565 0.000 -2.758) 5.333 4.607 ( 0.026 0.000 -0.714) 0.714 4.654 ( 1.493 0.000 -4.493) 4.735 4.788 ( 1.505 0.000 -0.405) 1.559 4.835 ( 2.808 0.000 -2.487) 3.751 4.902 ( 3.580 0.000 2.109) 4.155 5.006 ( -2.206 0.000 -0.878) 2.374 5.054 ( -1.334 0.000 1.033) 1.687 5.069 ( -0.209 0.000 -12.426) 12.428 5.102 ( -1.382 0.000 -1.778) 2.252 5.133 ( -0.862 0.000 2.747) 2.879 5.145 ( -0.033 0.000 10.813) 10.813 5.328 ( -0.024 0.000 0.120) 0.122 5.328 ( 0.183 0.000 -2.966) 2.972 5.378 ( 0.404 0.000 2.761) 2.791 5.386 ( -4.526 0.000 -0.362) 4.540 5.399 ( 1.964 0.000 1.603) 2.535 5.505 ( -1.291 0.000 -0.542) 1.401 5.530 ( 0.524 0.000 3.816) 3.852 5.537 ( 0.134 0.000 -0.809) 0.820 5.605 ( -1.141 0.000 -2.218) 2.494 5.619 ( 0.245 0.000 4.675) 4.682 5.700 ( -2.481 0.000 -0.540) 2.539 5.731 ( -4.855 0.000 0.755) 4.913 5.775 ( 1.043 0.000 -0.989) 1.437 5.943 ( -3.474 0.000 0.002) 3.474 5.948 ( -5.215 0.000 3.945) 6.539 6.070 ( -1.022 0.000 0.738) 1.261 6.083 ( 1.998 0.000 -1.102) 2.282 6.122 ( -0.153 0.000 1.969) 1.975 6.289 ( 6.666 0.000 -2.252) 7.036 6.300 ( -3.075 0.000 -3.122) 4.382 6.344 ( -3.535 0.000 0.549) 3.578 6.439 ( -2.170 0.000 -0.010) 2.170 6.457 ( 0.337 0.000 4.776) 4.788 6.569 ( 1.720 0.000 6.482) 6.707 6.620 ( -6.099 0.000 0.394) 6.112 6.772 ( -2.910 0.000 1.436) 3.245 7.149 ( -0.396 0.000 -14.196) 14.202 7.281 ( -6.669 0.000 -1.078) 6.756 7.302 ( -0.505 0.000 1.248) 1.346 7.341 ( -3.118 0.000 0.431) 3.148 7.402 ( -2.176 0.000 -0.798) 2.318 7.469 ( -0.364 0.000 0.077) 0.373 7.623 ( -6.403 0.000 0.305) 6.410 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -9.465 0.000 -0.484) 9.477 0.716 ( 7.463 0.000 3.798) 8.374 0.791 ( 16.798 0.000 -0.131) 16.798 0.872 ( -11.142 0.000 -3.247) 11.606 0.875 ( 2.592 0.000 -0.942) 2.758 1.002 ( 8.994 0.000 2.877) 9.443 1.341 ( 5.713 0.000 -6.349) 8.541 1.342 ( -3.902 0.000 0.894) 4.003 1.374 ( 3.229 0.000 7.080) 7.782 1.395 ( 7.265 0.000 2.475) 7.675 1.448 ( -2.032 0.000 -2.091) 2.916 1.497 ( 5.108 0.000 -3.774) 6.351 1.500 ( -2.132 0.000 -3.278) 3.910 1.537 ( 0.768 0.000 3.637) 3.717 1.628 ( 6.667 0.000 -0.061) 6.668 1.697 ( -7.053 0.000 3.812) 8.017 1.730 ( -0.195 0.000 -6.215) 6.218 1.732 ( -10.512 0.000 -1.431) 10.609 1.772 ( -2.796 0.000 -0.899) 2.937 1.806 ( 0.876 0.000 7.841) 7.890 1.851 ( -3.669 0.000 -6.804) 7.730 1.887 ( -8.513 0.000 -0.212) 8.515 1.956 ( -5.218 0.000 -0.252) 5.224 1.971 ( -7.300 0.000 4.158) 8.401 2.072 ( 3.978 0.000 -3.401) 5.234 2.080 ( 0.113 0.000 -2.964) 2.966 2.115 ( -4.684 0.000 3.034) 5.581 2.140 ( 4.664 0.000 1.044) 4.779 2.221 ( 4.262 0.000 5.138) 6.676 2.293 ( -5.414 0.000 -2.424) 5.932 2.304 ( 3.722 0.000 5.220) 6.411 2.404 ( -2.959 0.000 1.993) 3.567 2.412 ( -0.327 0.000 -3.998) 4.011 2.483 ( 3.646 0.000 0.760) 3.724 2.577 ( 6.325 0.000 -1.548) 6.511 2.627 ( 5.057 0.000 -3.702) 6.267 2.644 ( -1.572 0.000 1.463) 2.147 2.691 ( 3.532 0.000 1.101) 3.700 2.763 ( 2.022 0.000 -3.308) 3.877 2.782 ( 2.705 0.000 -5.564) 6.187 2.813 ( 1.959 0.000 -2.506) 3.181 2.841 ( -0.998 0.000 -1.371) 1.696 2.917 ( 3.721 0.000 0.838) 3.814 2.949 ( 3.510 0.000 1.361) 3.764 2.996 ( 0.248 0.000 1.379) 1.401 3.014 ( -2.621 0.000 3.047) 4.019 3.068 ( 0.600 0.000 -0.119) 0.612 3.098 ( 3.274 0.000 1.297) 3.522 3.116 ( 4.266 0.000 2.128) 4.768 3.157 ( 3.441 0.000 1.197) 3.643 3.213 ( 1.233 0.000 -1.511) 1.951 3.229 ( 1.781 0.000 -1.745) 2.493 3.253 ( 5.456 0.000 0.823) 5.518 3.363 ( 2.693 0.000 -2.573) 3.724 3.435 ( 2.205 0.000 -0.738) 2.326 3.466 ( 4.185 0.000 -0.085) 4.186 3.523 ( 5.236 0.000 0.532) 5.263 3.623 ( 4.711 0.000 3.520) 5.881 3.729 ( 2.261 0.000 -1.823) 2.904 3.770 ( 0.622 0.000 2.514) 2.589 3.806 ( 5.607 0.000 4.890) 7.440 3.868 ( 12.838 0.000 -0.601) 12.852 3.901 ( 1.176 0.000 -4.403) 4.558 3.922 ( 5.554 0.000 -0.203) 5.558 3.971 ( 3.393 0.000 3.405) 4.807 4.047 ( 5.294 0.000 0.778) 5.350 4.099 ( 2.704 0.000 0.339) 2.725 4.224 ( 5.330 0.000 1.301) 5.487 4.250 ( -0.135 0.000 -1.701) 1.706 4.275 ( 3.478 0.000 2.540) 4.307 4.335 ( 4.222 0.000 1.056) 4.352 4.353 ( 8.200 0.000 2.942) 8.712 4.412 ( 0.755 0.000 1.126) 1.356 4.452 ( 4.695 0.000 -2.182) 5.178 4.513 ( 0.760 0.000 -2.980) 3.075 4.611 ( 0.463 0.000 -1.337) 1.414 4.690 ( 4.721 0.000 -1.844) 5.068 4.708 ( 3.949 0.000 -2.891) 4.894 4.828 ( 2.345 0.000 -2.748) 3.612 4.865 ( -0.899 0.000 -2.683) 2.830 4.933 ( -2.983 0.000 0.626) 3.048 4.955 ( -4.014 0.000 0.842) 4.101 5.035 ( -0.165 0.000 -0.093) 0.189 5.055 ( -0.603 0.000 -6.930) 6.956 5.091 ( 1.084 0.000 3.783) 3.935 5.171 ( 6.156 0.000 2.955) 6.828 5.181 ( 4.338 0.000 4.157) 6.008 5.222 ( -5.267 0.000 -0.957) 5.353 5.297 ( -3.804 0.000 -1.690) 4.163 5.385 ( 0.726 0.000 0.211) 0.756 5.405 ( 3.329 0.000 2.986) 4.472 5.453 ( 2.963 0.000 1.735) 3.433 5.478 ( -0.610 0.000 -0.536) 0.812 5.518 ( -1.001 0.000 -0.568) 1.151 5.547 ( -0.697 0.000 2.951) 3.032 5.549 ( -5.799 0.000 -4.023) 7.058 5.613 ( -0.761 0.000 3.869) 3.943 5.641 ( -2.871 0.000 0.481) 2.911 5.643 ( -1.960 0.000 1.337) 2.373 5.794 ( 0.336 0.000 -2.492) 2.515 5.808 ( -7.584 0.000 1.383) 7.709 5.882 ( -1.789 0.000 0.792) 1.957 5.996 ( -7.179 0.000 0.629) 7.207 6.092 ( -1.752 0.000 -3.084) 3.547 6.151 ( 2.651 0.000 1.045) 2.850 6.188 ( -5.506 0.000 -2.397) 6.005 6.286 ( -3.036 0.000 0.306) 3.051 6.360 ( -6.308 0.000 -3.286) 7.113 6.406 ( 3.050 0.000 2.831) 4.162 6.456 ( 0.836 0.000 -0.452) 0.951 6.490 ( -3.028 0.000 -0.365) 3.050 6.625 ( 2.220 0.000 6.969) 7.314 6.713 ( -2.075 0.000 3.271) 3.874 7.068 ( -11.900 0.000 -2.475) 12.155 7.134 ( -0.812 0.000 -7.328) 7.373 7.290 ( -0.683 0.000 1.112) 1.305 7.297 ( -1.734 0.000 0.805) 1.912 7.345 ( -2.881 0.000 -1.197) 3.120 7.452 ( -1.863 0.000 0.411) 1.908 7.479 ( -5.518 0.000 -0.509) 5.541 ======================= Grid point 3 (4/36) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 4.442 0.000 -3.696) 5.779 0.606 ( -8.699 0.000 -0.315) 8.705 0.631 ( -7.864 0.000 2.034) 8.123 1.114 ( 12.080 0.000 0.014) 12.080 1.114 ( 11.143 0.000 -5.523) 12.436 1.175 ( 6.896 0.000 8.241) 10.746 1.290 ( -0.033 0.000 4.298) 4.298 1.347 ( -5.344 0.000 -6.153) 8.150 1.377 ( -2.094 0.000 -3.588) 4.154 1.434 ( -8.113 0.000 -1.465) 8.245 1.462 ( -0.518 0.000 2.930) 2.975 1.502 ( 4.440 0.000 -4.325) 6.198 1.555 ( 0.961 0.000 1.667) 1.924 1.561 ( 5.027 0.000 4.217) 6.562 1.588 ( -2.224 0.000 -0.007) 2.224 1.621 ( 0.381 0.000 0.341) 0.511 1.691 ( -5.894 0.000 0.846) 5.954 1.698 ( -2.216 0.000 -5.476) 5.907 1.724 ( -3.390 0.000 2.495) 4.209 1.751 ( -2.142 0.000 1.233) 2.472 1.761 ( -5.378 0.000 3.599) 6.471 1.833 ( 5.665 0.000 1.931) 5.985 1.859 ( -2.911 0.000 -2.439) 3.797 1.892 ( 3.881 0.000 -0.753) 3.953 2.015 ( -6.367 0.000 -0.198) 6.370 2.092 ( 0.815 0.000 -1.248) 1.490 2.127 ( -2.159 0.000 -2.120) 3.026 2.187 ( 0.153 0.000 -0.288) 0.326 2.239 ( 3.627 0.000 2.530) 4.423 2.324 ( -3.083 0.000 -1.640) 3.492 2.328 ( 2.853 0.000 0.678) 2.933 2.404 ( 2.958 0.000 4.891) 5.716 2.409 ( 1.199 0.000 -0.229) 1.220 2.553 ( 3.365 0.000 -1.732) 3.785 2.565 ( -3.802 0.000 1.727) 4.175 2.634 ( 0.043 0.000 -3.426) 3.427 2.725 ( 2.285 0.000 -0.203) 2.294 2.748 ( 1.252 0.000 2.101) 2.446 2.769 ( -1.513 0.000 -5.875) 6.067 2.785 ( 1.502 0.000 -2.845) 3.217 2.847 ( 0.999 0.000 -0.781) 1.268 2.906 ( 3.847 0.000 -1.648) 4.185 2.919 ( -3.353 0.000 2.495) 4.179 2.958 ( -0.850 0.000 2.119) 2.283 2.972 ( -1.732 0.000 0.876) 1.941 2.985 ( 0.165 0.000 1.233) 1.244 3.104 ( 1.744 0.000 1.719) 2.448 3.161 ( 2.184 0.000 -0.567) 2.256 3.186 ( 1.640 0.000 0.897) 1.869 3.237 ( 2.439 0.000 0.933) 2.611 3.242 ( 1.190 0.000 -0.759) 1.411 3.266 ( 1.665 0.000 -1.769) 2.429 3.312 ( 0.396 0.000 1.097) 1.166 3.425 ( 2.213 0.000 -0.821) 2.360 3.442 ( 0.113 0.000 0.104) 0.154 3.554 ( 2.732 0.000 -1.830) 3.288 3.614 ( 2.157 0.000 0.604) 2.240 3.690 ( 1.855 0.000 1.756) 2.554 3.744 ( -0.427 0.000 -1.534) 1.592 3.778 ( 0.527 0.000 1.835) 1.909 3.891 ( 0.872 0.000 4.777) 4.856 3.916 ( 0.649 0.000 -4.078) 4.129 3.982 ( 1.088 0.000 0.222) 1.111 4.020 ( 1.845 0.000 1.410) 2.321 4.081 ( 5.145 0.000 -0.472) 5.166 4.145 ( 1.102 0.000 -0.534) 1.225 4.187 ( 5.378 0.000 1.332) 5.540 4.251 ( 0.569 0.000 -2.716) 2.775 4.343 ( 2.212 0.000 1.351) 2.592 4.354 ( 6.148 0.000 2.668) 6.701 4.395 ( 1.600 0.000 -0.364) 1.641 4.472 ( 3.001 0.000 0.453) 3.035 4.504 ( 4.698 0.000 2.853) 5.497 4.515 ( -0.376 0.000 -0.328) 0.499 4.580 ( 5.264 0.000 -3.838) 6.515 4.631 ( 3.368 0.000 -0.710) 3.442 4.738 ( 0.040 0.000 -1.206) 1.206 4.778 ( 1.724 0.000 -1.129) 2.061 4.807 ( -8.337 0.000 1.583) 8.486 4.816 ( -3.013 0.000 -0.488) 3.052 4.844 ( -4.489 0.000 -0.085) 4.490 4.918 ( 6.045 0.000 -1.493) 6.227 4.949 ( -4.902 0.000 -1.290) 5.069 5.071 ( 0.928 0.000 -0.500) 1.054 5.132 ( 1.278 0.000 -0.456) 1.357 5.201 ( -1.201 0.000 -0.693) 1.386 5.244 ( 6.569 0.000 -1.089) 6.658 5.323 ( 1.656 0.000 0.587) 1.757 5.361 ( 2.070 0.000 2.497) 3.244 5.382 ( 3.686 0.000 1.645) 4.037 5.411 ( 2.246 0.000 -0.525) 2.307 5.466 ( -0.194 0.000 -0.683) 0.710 5.483 ( -1.213 0.000 0.441) 1.291 5.501 ( -0.303 0.000 0.243) 0.388 5.515 ( 0.401 0.000 0.158) 0.431 5.528 ( -3.395 0.000 1.289) 3.631 5.551 ( 1.360 0.000 0.529) 1.459 5.575 ( -1.277 0.000 2.713) 2.999 5.625 ( -3.248 0.000 1.843) 3.734 5.699 ( -1.304 0.000 0.313) 1.341 5.748 ( -4.986 0.000 -4.255) 6.554 5.787 ( -9.562 0.000 -1.266) 9.646 5.902 ( 3.378 0.000 3.143) 4.614 6.022 ( -3.653 0.000 -2.832) 4.622 6.119 ( -1.402 0.000 -0.697) 1.566 6.190 ( -5.850 0.000 -3.635) 6.888 6.210 ( 1.288 0.000 1.818) 2.228 6.222 ( -2.190 0.000 0.302) 2.211 6.443 ( 1.496 0.000 5.910) 6.097 6.490 ( 1.519 0.000 -0.637) 1.647 6.498 ( 0.870 0.000 -4.606) 4.688 6.651 ( 0.298 0.000 3.011) 3.025 6.712 ( 2.102 0.000 4.325) 4.808 6.834 ( -9.086 0.000 -3.789) 9.845 7.106 ( -1.297 0.000 -2.473) 2.792 7.271 ( -0.595 0.000 0.790) 0.989 7.273 ( -0.705 0.000 0.593) 0.922 7.295 ( -1.480 0.000 -0.977) 1.774 7.403 ( -0.314 0.000 -0.975) 1.025 7.430 ( -1.528 0.000 0.619) 1.648 ======================= Grid point 7 (5/36) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 0.000 17.026 0.000) 17.026 0.422 ( 0.000 19.340 0.000) 19.340 0.700 ( 0.000 -11.146 0.000) 11.146 0.758 ( 0.000 16.417 0.000) 16.417 0.840 ( 0.000 0.093 0.000) 0.093 1.019 ( 0.000 2.642 0.000) 2.642 1.100 ( 0.000 -4.843 0.000) 4.843 1.334 ( 0.000 -13.679 0.000) 13.679 1.364 ( 0.000 6.635 0.000) 6.635 1.389 ( 0.000 7.261 0.000) 7.261 1.503 ( 0.000 -3.771 0.000) 3.771 1.518 ( 0.000 10.125 0.000) 10.125 1.571 ( 0.000 2.334 0.000) 2.334 1.580 ( 0.000 -6.718 0.000) 6.718 1.619 ( 0.000 -5.839 0.000) 5.839 1.657 ( 0.000 4.552 0.000) 4.552 1.715 ( 0.000 -4.314 0.000) 4.314 1.737 ( 0.000 4.281 0.000) 4.281 1.765 ( 0.000 -9.995 0.000) 9.995 1.783 ( 0.000 4.139 0.000) 4.139 1.814 ( 0.000 -5.192 0.000) 5.192 1.895 ( 0.000 -2.758 0.000) 2.758 1.945 ( 0.000 -2.356 0.000) 2.356 2.003 ( 0.000 -5.054 0.000) 5.054 2.081 ( 0.000 3.970 0.000) 3.970 2.179 ( 0.000 0.397 0.000) 0.397 2.197 ( 0.000 2.559 0.000) 2.559 2.232 ( 0.000 -3.431 0.000) 3.431 2.256 ( 0.000 -1.042 0.000) 1.042 2.274 ( 0.000 -2.417 0.000) 2.417 2.309 ( 0.000 2.459 0.000) 2.459 2.333 ( 0.000 2.775 0.000) 2.775 2.361 ( 0.000 3.566 0.000) 3.566 2.384 ( 0.000 -0.932 0.000) 0.932 2.435 ( 0.000 -2.931 0.000) 2.931 2.511 ( 0.000 -5.531 0.000) 5.531 2.587 ( 0.000 6.849 0.000) 6.849 2.635 ( 0.000 1.601 0.000) 1.601 2.674 ( 0.000 -1.285 0.000) 1.285 2.710 ( 0.000 -4.007 0.000) 4.007 2.764 ( 0.000 0.451 0.000) 0.451 2.764 ( 0.000 -0.624 0.000) 0.624 2.827 ( 0.000 -0.915 0.000) 0.915 2.860 ( 0.000 -2.339 0.000) 2.339 2.888 ( 0.000 0.469 0.000) 0.469 2.913 ( 0.000 -1.285 0.000) 1.285 2.986 ( 0.000 6.228 0.000) 6.228 3.006 ( 0.000 3.317 0.000) 3.317 3.102 ( 0.000 1.039 0.000) 1.039 3.112 ( 0.000 -2.359 0.000) 2.359 3.228 ( 0.000 0.547 0.000) 0.547 3.258 ( 0.000 6.727 0.000) 6.727 3.292 ( 0.000 2.281 0.000) 2.281 3.295 ( 0.000 0.684 0.000) 0.684 3.305 ( 0.000 -3.140 0.000) 3.140 3.423 ( 0.000 -5.700 0.000) 5.700 3.498 ( 0.000 6.371 0.000) 6.371 3.542 ( 0.000 1.042 0.000) 1.042 3.571 ( 0.000 -1.314 0.000) 1.314 3.634 ( 0.000 -4.457 0.000) 4.457 3.682 ( 0.000 -0.117 0.000) 0.117 3.682 ( 0.000 -0.113 0.000) 0.113 3.778 ( 0.000 2.971 0.000) 2.971 3.826 ( 0.000 -2.506 0.000) 2.506 3.839 ( 0.000 1.560 0.000) 1.560 3.919 ( 0.000 -4.950 0.000) 4.950 4.024 ( 0.000 2.834 0.000) 2.834 4.047 ( 0.000 1.443 0.000) 1.443 4.083 ( 0.000 -2.307 0.000) 2.307 4.086 ( 0.000 -1.844 0.000) 1.844 4.258 ( 0.000 6.222 0.000) 6.222 4.364 ( 0.000 -1.299 0.000) 1.299 4.394 ( 0.000 -0.090 0.000) 0.090 4.416 ( 0.000 -2.286 0.000) 2.286 4.440 ( 0.000 -0.751 0.000) 0.751 4.485 ( 0.000 -2.299 0.000) 2.299 4.579 ( 0.000 3.041 0.000) 3.041 4.631 ( 0.000 -1.151 0.000) 1.151 4.647 ( 0.000 2.514 0.000) 2.514 4.725 ( 0.000 -3.732 0.000) 3.732 4.843 ( 0.000 2.715 0.000) 2.715 4.869 ( 0.000 0.256 0.000) 0.256 5.014 ( 0.000 -1.752 0.000) 1.752 5.018 ( 0.000 -2.088 0.000) 2.088 5.202 ( 0.000 4.271 0.000) 4.271 5.211 ( 0.000 3.575 0.000) 3.575 5.305 ( 0.000 0.879 0.000) 0.879 5.327 ( 0.000 -1.958 0.000) 1.958 5.342 ( 0.000 -1.294 0.000) 1.294 5.359 ( 0.000 -2.380 0.000) 2.380 5.401 ( 0.000 0.368 0.000) 0.368 5.424 ( 0.000 -1.504 0.000) 1.504 5.491 ( 0.000 0.849 0.000) 0.849 5.522 ( 0.000 -1.207 0.000) 1.207 5.596 ( 0.000 1.872 0.000) 1.872 5.600 ( 0.000 0.643 0.000) 0.643 5.627 ( 0.000 0.951 0.000) 0.951 5.672 ( 0.000 -2.357 0.000) 2.357 5.757 ( 0.000 1.161 0.000) 1.161 5.769 ( 0.000 -0.028 0.000) 0.028 5.991 ( 0.000 1.207 0.000) 1.207 6.015 ( 0.000 1.640 0.000) 1.640 6.042 ( 0.000 -2.333 0.000) 2.333 6.095 ( 0.000 -4.993 0.000) 4.993 6.143 ( 0.000 -0.774 0.000) 0.774 6.155 ( 0.000 -4.093 0.000) 4.093 6.268 ( 0.000 3.537 0.000) 3.537 6.333 ( 0.000 -2.352 0.000) 2.352 6.466 ( 0.000 0.370 0.000) 0.370 6.468 ( 0.000 0.068 0.000) 0.068 6.591 ( 0.000 2.794 0.000) 2.794 6.655 ( 0.000 -2.720 0.000) 2.720 6.853 ( 0.000 17.542 0.000) 17.542 7.185 ( 0.000 -11.982 0.000) 11.982 7.349 ( 0.000 1.027 0.000) 1.027 7.377 ( 0.000 2.306 0.000) 2.306 7.383 ( 0.000 -1.603 0.000) 1.603 7.440 ( 0.000 -2.740 0.000) 2.740 7.746 ( 0.000 2.915 0.000) 2.915 7.788 ( 0.000 -1.027 0.000) 1.027 ======================= Grid point 8 (6/36) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 8.743 9.772 -2.241) 13.302 0.567 ( 12.668 12.755 1.319) 18.026 0.665 ( -4.265 -4.583 0.211) 6.264 0.856 ( 5.403 -5.686 2.563) 8.252 0.921 ( -2.951 -1.210 2.695) 4.176 1.004 ( -2.874 -1.342 2.069) 3.787 1.044 ( 7.285 9.412 -0.139) 11.903 1.324 ( -1.665 -2.120 -3.803) 4.661 1.368 ( 3.378 2.743 -5.209) 6.787 1.463 ( 4.641 1.890 1.037) 5.117 1.491 ( -1.599 0.247 1.042) 1.925 1.536 ( 0.439 6.782 -1.353) 6.929 1.584 ( 1.187 4.641 -3.603) 5.995 1.611 ( 0.987 -0.025 0.392) 1.062 1.650 ( 0.541 3.657 -2.230) 4.317 1.672 ( 2.038 -6.246 3.930) 7.656 1.691 ( -1.877 -0.120 1.438) 2.368 1.729 ( 2.659 -2.661 2.983) 4.801 1.772 ( -1.536 -3.749 -0.477) 4.079 1.838 ( 2.690 -2.987 -2.288) 4.626 1.857 ( 4.059 -9.086 -0.608) 9.970 1.912 ( -0.214 -0.171 1.854) 1.874 1.946 ( -2.025 -3.154 -1.109) 3.909 1.985 ( 1.424 -3.394 4.536) 5.841 2.068 ( -1.253 -0.161 1.292) 1.807 2.103 ( -4.954 -2.690 0.492) 5.659 2.130 ( -4.634 0.887 -5.238) 7.049 2.159 ( -4.740 1.522 -1.335) 5.154 2.180 ( -5.260 0.179 -2.770) 5.947 2.263 ( -3.503 -4.247 0.955) 5.587 2.328 ( 0.579 2.731 1.664) 3.250 2.353 ( -0.108 1.460 1.688) 2.235 2.396 ( 3.284 -1.171 -0.450) 3.516 2.422 ( -0.096 -2.596 3.216) 4.134 2.439 ( 4.799 1.996 0.649) 5.238 2.549 ( 2.874 -4.792 0.558) 5.615 2.640 ( 4.811 4.402 0.574) 6.546 2.684 ( 2.093 3.488 -3.744) 5.529 2.720 ( 4.653 -1.262 -1.077) 4.940 2.738 ( 0.687 -1.720 -0.038) 1.853 2.800 ( 2.705 1.189 -2.060) 3.601 2.839 ( 5.730 0.527 -0.724) 5.800 2.878 ( 4.313 1.184 0.253) 4.480 2.890 ( 0.886 -3.300 -2.599) 4.292 2.914 ( 1.851 0.467 0.820) 2.078 2.958 ( -0.544 3.447 0.652) 3.550 2.979 ( 5.535 -3.255 -0.264) 6.427 3.042 ( 1.270 -0.363 2.663) 2.972 3.118 ( 2.426 0.949 -0.579) 2.669 3.130 ( 1.717 4.485 -2.566) 5.445 3.204 ( -0.647 0.273 0.129) 0.714 3.235 ( -4.331 -1.357 -2.520) 5.191 3.278 ( 0.230 4.718 -0.453) 4.746 3.313 ( 4.131 0.187 0.582) 4.176 3.338 ( 3.832 1.072 1.567) 4.276 3.414 ( 0.525 -2.777 0.979) 2.991 3.508 ( 1.480 6.057 -0.965) 6.309 3.552 ( 2.608 3.340 2.560) 4.951 3.606 ( 4.421 -2.458 -1.482) 5.271 3.668 ( 2.784 -5.538 -0.628) 6.230 3.691 ( 3.906 2.584 1.257) 4.849 3.744 ( 3.545 -1.460 2.932) 4.826 3.808 ( 2.853 1.764 2.765) 4.347 3.840 ( 1.308 -2.195 1.131) 2.794 3.888 ( 4.139 1.661 0.091) 4.461 3.958 ( 3.534 -3.986 -0.490) 5.349 4.045 ( 3.333 3.242 0.617) 4.691 4.114 ( 3.451 -2.524 -0.368) 4.291 4.157 ( 5.194 0.022 -0.886) 5.269 4.187 ( 4.453 -2.419 0.811) 5.132 4.289 ( 2.341 5.188 2.224) 6.111 4.352 ( -1.253 1.732 1.921) 2.874 4.386 ( -0.369 -3.194 1.775) 3.673 4.405 ( 1.377 -1.630 0.410) 2.173 4.482 ( 2.689 1.759 -3.695) 4.896 4.554 ( 4.771 -3.224 -5.479) 7.949 4.622 ( 1.338 1.071 -2.567) 3.086 4.640 ( 1.029 -0.531 -2.740) 2.975 4.721 ( 6.308 -5.910 -0.398) 8.653 4.734 ( 1.345 -3.426 -0.449) 3.707 4.891 ( 4.229 2.832 0.095) 5.091 4.920 ( 4.466 0.668 1.669) 4.815 4.994 ( -1.411 -0.642 0.431) 1.609 5.009 ( -0.974 -2.786 2.543) 3.896 5.171 ( -1.671 2.537 1.125) 3.240 5.187 ( -2.521 2.246 -0.217) 3.383 5.285 ( -3.597 1.689 -3.675) 5.413 5.328 ( -2.478 -1.418 -3.279) 4.348 5.335 ( 1.069 1.537 2.060) 2.784 5.364 ( 2.046 -0.827 2.320) 3.202 5.390 ( -1.658 0.071 0.654) 1.784 5.398 ( 0.038 -0.565 3.167) 3.218 5.501 ( 0.227 0.382 -0.103) 0.456 5.516 ( -0.300 -0.944 1.031) 1.430 5.578 ( -1.195 1.605 0.718) 2.125 5.599 ( -1.387 -0.678 -0.454) 1.609 5.628 ( 0.425 1.041 0.124) 1.131 5.654 ( -1.915 -1.792 -0.733) 2.723 5.735 ( -1.774 1.998 -0.261) 2.684 5.774 ( 0.642 -0.966 -0.624) 1.317 5.955 ( -4.513 2.149 1.371) 5.183 6.000 ( -1.243 -2.485 1.964) 3.403 6.004 ( -2.436 0.611 1.177) 2.773 6.100 ( -0.600 -6.476 1.171) 6.609 6.134 ( -0.222 1.425 0.340) 1.482 6.155 ( -0.621 -1.517 -1.127) 1.989 6.294 ( 4.003 0.779 -3.054) 5.094 6.314 ( -1.186 -0.304 -5.101) 5.246 6.460 ( -2.076 1.598 4.253) 4.996 6.505 ( 0.053 -2.319 2.842) 3.669 6.598 ( 0.307 -0.208 1.373) 1.423 6.603 ( -4.062 -0.721 -0.475) 4.152 6.829 ( -1.578 14.039 0.554) 14.138 7.128 ( -5.411 -11.737 -1.434) 13.003 7.301 ( -4.491 1.735 -0.510) 4.842 7.327 ( -5.341 0.048 -0.073) 5.341 7.366 ( -0.987 2.119 -0.227) 2.349 7.414 ( -2.239 -1.546 0.199) 2.728 7.576 ( -9.379 7.831 -2.273) 12.428 7.644 ( -7.951 0.344 -0.559) 7.978 ======================= Grid point 9 (7/36) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -6.600 6.691 -0.318) 9.404 0.698 ( 8.248 -6.490 -2.538) 10.798 0.735 ( -4.105 0.149 3.503) 5.399 0.810 ( -6.375 -4.532 -0.272) 7.826 0.905 ( 13.678 7.729 2.328) 15.882 1.107 ( 11.150 -7.648 0.343) 13.525 1.218 ( 5.729 5.161 -1.728) 7.902 1.306 ( 0.414 -1.753 -3.642) 4.063 1.442 ( -0.882 2.370 0.082) 2.530 1.458 ( -0.735 -0.072 -0.063) 0.741 1.495 ( -6.658 5.327 4.905) 9.837 1.515 ( -0.757 3.274 -2.141) 3.985 1.578 ( -0.750 3.076 3.673) 4.849 1.619 ( 0.871 1.547 1.974) 2.655 1.651 ( -0.868 2.897 -0.499) 3.065 1.677 ( -0.778 -0.504 -1.653) 1.896 1.709 ( -1.730 0.038 -4.551) 4.869 1.721 ( 2.608 2.273 -0.097) 3.461 1.774 ( -0.339 0.171 0.168) 0.415 1.824 ( -5.947 -0.913 -0.754) 6.064 1.879 ( -1.037 0.295 -0.469) 1.176 1.925 ( 1.076 1.617 0.794) 2.098 1.940 ( 1.226 -1.426 -0.523) 1.952 1.963 ( -5.625 -2.130 -2.794) 6.632 2.030 ( 0.982 0.591 1.257) 1.701 2.052 ( -1.147 -5.919 -0.849) 6.088 2.068 ( -0.651 -4.487 2.729) 5.292 2.084 ( 0.077 -0.807 1.307) 1.538 2.141 ( 2.212 -1.333 0.969) 2.759 2.233 ( 3.945 -10.022 1.355) 10.855 2.322 ( -3.376 3.256 -0.357) 4.704 2.351 ( 1.768 2.506 3.429) 4.601 2.391 ( -2.740 -1.241 1.097) 3.202 2.447 ( 2.388 -5.417 -0.483) 5.939 2.524 ( 1.568 0.138 -0.982) 1.855 2.588 ( 0.764 -4.574 -0.282) 4.646 2.690 ( -0.297 4.571 -5.182) 6.916 2.733 ( 1.161 1.378 -2.577) 3.144 2.771 ( 2.302 2.795 0.916) 3.735 2.817 ( 1.512 1.942 -3.922) 4.630 2.860 ( 2.837 -1.283 -0.164) 3.118 2.882 ( 0.627 -1.526 -3.435) 3.810 2.914 ( 0.531 2.770 0.897) 2.959 2.941 ( -0.118 -0.358 0.190) 0.422 2.974 ( 4.690 -0.677 2.206) 5.227 2.997 ( 3.512 0.675 0.828) 3.671 3.062 ( 2.287 -1.560 0.992) 2.941 3.075 ( 3.294 -2.774 1.015) 4.425 3.146 ( 2.109 3.278 2.166) 4.459 3.184 ( 2.463 -0.395 -0.508) 2.546 3.207 ( 2.917 3.132 -1.984) 4.718 3.261 ( 3.002 -0.041 -0.269) 3.014 3.292 ( 0.840 3.606 -0.162) 3.706 3.379 ( -0.180 -2.140 -1.021) 2.378 3.456 ( 5.696 1.575 1.432) 6.081 3.467 ( 5.570 0.122 -0.064) 5.572 3.558 ( 2.584 5.465 -1.131) 6.150 3.643 ( 5.125 1.990 3.085) 6.304 3.693 ( 2.002 -3.521 1.341) 4.266 3.724 ( 4.860 -5.252 -0.474) 7.171 3.804 ( 2.445 0.806 3.436) 4.294 3.840 ( 2.604 -2.991 -0.977) 4.084 3.894 ( 9.068 1.751 1.364) 9.336 3.931 ( 7.304 -0.518 1.645) 7.505 3.973 ( 3.636 1.852 -0.639) 4.130 4.046 ( 3.964 -3.616 -1.191) 5.496 4.119 ( 3.384 4.471 0.588) 5.638 4.199 ( 3.989 -2.501 0.889) 4.791 4.251 ( 3.447 0.445 -0.230) 3.484 4.270 ( 4.746 -0.791 0.742) 4.869 4.355 ( 2.585 1.276 0.320) 2.901 4.369 ( 3.777 0.998 3.136) 5.010 4.403 ( 2.830 -0.207 1.067) 3.031 4.443 ( 2.322 -2.547 -0.311) 3.461 4.535 ( 2.338 4.561 -2.143) 5.556 4.634 ( 1.291 -0.985 -0.956) 1.884 4.662 ( 3.736 -0.896 -4.932) 6.252 4.688 ( 3.683 -1.360 -3.775) 5.447 4.772 ( 2.566 -2.054 -0.830) 3.390 4.810 ( 2.017 -5.423 -0.665) 5.824 4.941 ( -2.843 1.880 -1.680) 3.800 4.956 ( -2.565 0.344 0.323) 2.608 4.998 ( 2.941 1.010 0.129) 3.112 5.046 ( 2.919 -2.529 1.552) 4.163 5.142 ( -1.143 2.799 -1.198) 3.252 5.172 ( 1.317 -0.178 0.750) 1.526 5.218 ( 1.164 1.402 1.240) 2.204 5.235 ( -2.224 0.281 1.287) 2.585 5.319 ( -3.438 1.867 0.035) 3.912 5.365 ( -1.091 -1.964 -0.069) 2.248 5.430 ( 2.853 1.907 3.382) 4.818 5.449 ( 3.419 0.054 -0.585) 3.469 5.484 ( -0.693 -0.597 0.542) 1.063 5.493 ( -2.259 -2.017 -0.162) 3.033 5.548 ( -0.436 1.870 1.390) 2.371 5.580 ( -1.134 -0.937 -0.233) 1.490 5.606 ( -2.309 0.549 -0.160) 2.379 5.617 ( -1.230 0.132 0.732) 1.438 5.703 ( -1.296 4.483 0.819) 4.738 5.792 ( -0.267 -1.978 0.149) 2.002 5.825 ( -6.501 2.397 -0.197) 6.932 5.902 ( -6.378 -4.374 -1.042) 7.804 5.969 ( -2.776 4.911 0.997) 5.728 6.079 ( -1.146 -3.471 0.852) 3.754 6.147 ( 0.752 -2.704 -0.663) 2.884 6.155 ( 1.531 -2.118 0.122) 2.617 6.276 ( -3.532 5.145 -4.203) 7.524 6.364 ( -1.712 -2.836 -0.697) 3.385 6.389 ( -0.761 -0.132 2.496) 2.613 6.429 ( -4.736 -3.214 -2.178) 6.124 6.506 ( -4.899 3.712 0.579) 6.174 6.592 ( -1.775 -2.593 5.781) 6.580 6.814 ( 0.012 7.535 1.332) 7.652 6.984 ( -7.073 -7.164 -1.542) 10.185 7.178 ( -5.247 2.574 -2.789) 6.476 7.228 ( -3.932 -2.493 0.354) 4.669 7.345 ( -0.850 1.889 0.006) 2.071 7.366 ( -2.025 0.388 -0.630) 2.157 7.470 ( -3.017 1.732 -0.573) 3.526 7.492 ( -5.479 0.258 -0.779) 5.540 ======================= Grid point 10 (8/36) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -0.554 3.972 -1.258) 4.203 0.547 ( -7.274 -4.450 1.402) 8.641 0.743 ( -0.440 8.454 -0.960) 8.520 0.937 ( 9.285 -9.198 -1.865) 13.202 1.199 ( 11.465 4.663 5.224) 13.434 1.251 ( -1.976 3.605 -0.505) 4.142 1.297 ( -1.404 -1.864 1.044) 2.557 1.337 ( 1.193 -1.231 -1.604) 2.347 1.371 ( -3.053 -0.586 -2.225) 3.823 1.384 ( 3.264 -3.137 0.084) 4.528 1.472 ( -1.494 2.673 -2.263) 3.808 1.501 ( 4.100 -0.694 -1.013) 4.280 1.528 ( 0.617 -0.444 3.679) 3.757 1.582 ( 0.227 -1.381 2.339) 2.726 1.585 ( -5.273 0.690 1.111) 5.433 1.651 ( -5.944 -2.977 -4.504) 8.030 1.665 ( -3.689 0.834 -0.984) 3.908 1.684 ( -5.599 -0.334 -1.583) 5.828 1.744 ( -0.017 3.895 0.266) 3.904 1.763 ( -3.469 1.320 0.732) 3.783 1.805 ( -3.839 2.090 2.599) 5.085 1.867 ( -0.279 5.128 -0.950) 5.223 1.927 ( 0.964 3.512 -0.413) 3.666 1.971 ( 3.543 6.375 1.902) 7.537 2.060 ( 0.690 -1.534 -2.169) 2.744 2.078 ( 1.197 0.904 1.633) 2.217 2.109 ( 3.158 -4.731 1.428) 5.864 2.147 ( 1.181 -6.099 -0.394) 6.224 2.230 ( -0.181 3.373 1.468) 3.683 2.281 ( 3.026 -0.983 -2.052) 3.786 2.307 ( 2.511 -2.123 -0.833) 3.392 2.343 ( 0.438 -2.279 0.172) 2.327 2.391 ( 0.248 -0.427 4.331) 4.359 2.473 ( -1.727 -5.619 1.285) 6.017 2.523 ( 1.585 -1.748 -1.174) 2.635 2.587 ( -1.719 -6.972 -1.368) 7.310 2.658 ( -0.561 1.165 -3.480) 3.713 2.718 ( -2.871 -3.570 -3.293) 5.642 2.800 ( 2.049 6.351 0.758) 6.717 2.833 ( 0.322 1.729 -1.906) 2.594 2.866 ( 0.080 -0.159 -0.708) 0.730 2.880 ( -1.023 -0.236 0.495) 1.161 2.912 ( -1.382 -1.616 1.736) 2.745 2.960 ( 1.905 -1.520 -0.120) 2.440 3.038 ( 1.178 2.213 1.137) 2.753 3.052 ( 1.123 1.975 1.368) 2.652 3.121 ( 2.628 1.807 -0.011) 3.189 3.155 ( 2.315 -0.462 -0.190) 2.368 3.183 ( 1.185 1.751 0.528) 2.179 3.234 ( 1.267 0.350 -0.628) 1.457 3.271 ( 2.273 4.252 -0.237) 4.828 3.281 ( 0.621 0.156 -0.069) 0.644 3.318 ( -0.453 -1.242 0.974) 1.643 3.376 ( 1.002 -3.824 -0.031) 3.953 3.532 ( 1.040 5.104 -0.959) 5.297 3.556 ( 3.033 1.270 -0.604) 3.343 3.592 ( 0.464 -0.305 -0.492) 0.742 3.694 ( 0.032 -2.977 0.407) 3.005 3.757 ( 3.305 1.302 1.845) 4.003 3.796 ( 0.895 1.908 0.368) 2.140 3.838 ( 0.940 -3.143 0.905) 3.403 3.865 ( 0.652 -3.208 0.712) 3.350 3.998 ( 1.458 1.772 -0.525) 2.354 4.062 ( 2.776 -0.543 0.640) 2.900 4.080 ( 0.393 -0.068 -0.820) 0.912 4.100 ( 5.490 0.992 0.104) 5.580 4.211 ( 4.433 0.588 -0.053) 4.472 4.266 ( 1.112 -3.325 0.994) 3.644 4.308 ( 1.846 2.041 -0.080) 2.753 4.349 ( 2.083 -0.421 0.504) 2.184 4.419 ( 3.473 0.543 -0.421) 3.540 4.444 ( 2.399 -2.133 0.420) 3.238 4.486 ( 2.344 0.551 1.655) 2.922 4.507 ( 3.687 -1.027 2.604) 4.629 4.615 ( 5.540 2.951 -3.278) 7.081 4.665 ( 2.337 1.134 -2.182) 3.392 4.709 ( 1.736 -1.938 -1.551) 3.029 4.739 ( 0.707 -2.568 -2.422) 3.600 4.792 ( -5.054 -0.987 2.305) 5.642 4.800 ( -4.363 -1.169 1.868) 4.888 4.854 ( -2.870 1.997 -0.921) 3.616 4.895 ( -0.926 -1.659 -1.009) 2.151 4.995 ( -0.152 2.999 -1.200) 3.234 5.051 ( 0.693 -1.867 -0.355) 2.023 5.172 ( 2.091 2.856 -0.535) 3.580 5.203 ( 1.196 0.184 -0.605) 1.353 5.250 ( 3.882 -0.163 -2.074) 4.405 5.284 ( -4.055 -3.061 -1.688) 5.354 5.358 ( 6.435 -0.338 1.434) 6.601 5.371 ( 5.097 -0.136 1.522) 5.322 5.414 ( 0.203 2.110 3.325) 3.943 5.474 ( -1.596 -2.527 2.083) 3.644 5.489 ( -0.335 0.314 1.007) 1.107 5.501 ( -1.604 -0.386 0.128) 1.655 5.532 ( -0.489 0.827 1.315) 1.629 5.540 ( -0.127 0.113 1.783) 1.791 5.579 ( 0.223 3.431 -0.788) 3.527 5.601 ( -2.682 2.920 -0.990) 4.087 5.656 ( -3.096 1.640 0.382) 3.524 5.689 ( -0.783 -0.825 -0.391) 1.203 5.742 ( -5.840 0.003 -1.440) 6.014 5.789 ( -3.625 -0.572 -1.567) 3.990 5.955 ( 2.012 3.921 1.352) 4.610 6.031 ( -3.253 -1.402 -1.628) 3.898 6.141 ( -0.572 2.858 1.086) 3.110 6.188 ( -1.791 2.110 -2.273) 3.581 6.228 ( 3.156 -0.022 0.949) 3.295 6.272 ( -4.888 1.864 -0.093) 5.232 6.343 ( -0.899 -3.580 0.484) 3.723 6.409 ( -0.173 -5.939 0.108) 5.943 6.461 ( 0.064 -2.603 -2.551) 3.645 6.510 ( -5.056 -6.544 3.743) 9.077 6.825 ( 0.980 4.956 0.844) 5.122 6.875 ( -3.133 0.884 -0.182) 3.261 7.105 ( -1.721 1.119 -1.438) 2.506 7.170 ( -1.410 -4.487 0.052) 4.704 7.330 ( -0.639 2.054 -0.327) 2.176 7.341 ( -0.340 1.308 -0.231) 1.371 7.416 ( -1.128 0.922 -0.489) 1.537 7.429 ( -1.569 -0.169 0.220) 1.593 ======================= Grid point 21 (9/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( 2.401 0.000 17.348) 17.513 0.355 ( -2.730 0.000 18.782) 18.979 0.606 ( 1.362 0.000 27.997) 28.030 0.893 ( 3.841 0.000 5.408) 6.633 1.049 ( 1.571 0.000 5.184) 5.416 1.107 ( -2.768 0.000 6.515) 7.078 1.182 ( 0.744 0.000 -6.692) 6.733 1.202 ( -1.047 0.000 1.759) 2.047 1.275 ( -0.470 0.000 -5.809) 5.828 1.299 ( -2.939 0.000 -3.502) 4.572 1.387 ( -0.228 0.000 -14.070) 14.072 1.399 ( -6.438 0.000 -7.472) 9.863 1.485 ( 2.256 0.000 -0.722) 2.369 1.553 ( -1.965 0.000 -2.295) 3.022 1.569 ( -2.400 0.000 -4.797) 5.364 1.656 ( 3.713 0.000 -4.728) 6.012 1.681 ( -0.504 0.000 1.276) 1.372 1.751 ( 2.927 0.000 -4.231) 5.145 1.807 ( -6.320 0.000 -3.002) 6.997 1.813 ( 9.744 0.000 4.503) 10.734 1.936 ( 0.172 0.000 -1.945) 1.952 2.015 ( -4.230 0.000 -4.601) 6.250 2.029 ( -6.382 0.000 -1.374) 6.529 2.049 ( -1.412 0.000 3.973) 4.216 2.058 ( 0.708 0.000 1.919) 2.045 2.152 ( 5.901 0.000 6.568) 8.829 2.186 ( -3.046 0.000 -3.395) 4.561 2.217 ( 0.846 0.000 -0.279) 0.891 2.247 ( 2.224 0.000 -0.233) 2.236 2.265 ( -0.063 0.000 0.281) 0.288 2.354 ( -5.711 0.000 3.538) 6.718 2.399 ( 4.505 0.000 0.198) 4.510 2.424 ( 3.645 0.000 3.355) 4.954 2.433 ( 1.564 0.000 0.681) 1.706 2.490 ( -2.186 0.000 6.651) 7.001 2.496 ( -3.324 0.000 5.623) 6.532 2.543 ( 1.840 0.000 2.193) 2.863 2.648 ( -0.835 0.000 1.129) 1.404 2.699 ( -2.379 0.000 1.075) 2.611 2.700 ( 0.884 0.000 -5.587) 5.657 2.707 ( 1.235 0.000 -1.313) 1.802 2.780 ( -1.426 0.000 -0.225) 1.444 2.816 ( -3.167 0.000 0.360) 3.187 2.873 ( 2.028 0.000 -0.361) 2.060 2.932 ( 2.763 0.000 0.682) 2.846 2.934 ( 0.701 0.000 -6.142) 6.182 2.958 ( -0.525 0.000 0.301) 0.605 2.968 ( -0.820 0.000 3.236) 3.338 2.998 ( -0.376 0.000 -2.411) 2.441 3.067 ( 0.993 0.000 0.176) 1.008 3.122 ( 2.305 0.000 -0.461) 2.350 3.240 ( -1.046 0.000 -0.915) 1.390 3.248 ( -2.509 0.000 -1.942) 3.173 3.295 ( 2.053 0.000 0.352) 2.083 3.338 ( -1.168 0.000 -1.736) 2.092 3.370 ( -0.798 0.000 0.497) 0.940 3.460 ( 2.116 0.000 0.916) 2.306 3.487 ( 0.399 0.000 -0.926) 1.008 3.492 ( -0.366 0.000 -2.772) 2.796 3.624 ( -2.750 0.000 -2.483) 3.705 3.639 ( -1.605 0.000 -4.955) 5.209 3.724 ( 1.971 0.000 1.870) 2.717 3.741 ( 1.863 0.000 -5.862) 6.151 3.836 ( 0.101 0.000 2.178) 2.180 3.955 ( 0.829 0.000 1.891) 2.065 3.961 ( -3.326 0.000 0.858) 3.435 4.031 ( 1.570 0.000 4.036) 4.331 4.090 ( 7.182 0.000 1.021) 7.254 4.108 ( 0.764 0.000 0.264) 0.808 4.110 ( -0.876 0.000 -0.302) 0.927 4.134 ( 1.728 0.000 -1.131) 2.065 4.238 ( -1.037 0.000 -1.403) 1.745 4.346 ( 0.637 0.000 -7.315) 7.342 4.386 ( -1.207 0.000 1.274) 1.755 4.502 ( 0.651 0.000 2.787) 2.862 4.588 ( -2.752 0.000 1.555) 3.161 4.592 ( -0.810 0.000 -1.812) 1.985 4.629 ( -2.600 0.000 6.673) 7.162 4.735 ( -0.490 0.000 -5.307) 5.329 4.776 ( -0.613 0.000 2.763) 2.830 4.873 ( -0.305 0.000 3.653) 3.666 4.884 ( 1.387 0.000 1.666) 2.168 5.012 ( 0.458 0.000 -2.183) 2.230 5.086 ( -1.146 0.000 0.995) 1.517 5.130 ( -0.090 0.000 1.257) 1.260 5.170 ( 3.634 0.000 1.881) 4.091 5.244 ( -1.286 0.000 -5.323) 5.476 5.275 ( -2.727 0.000 -3.587) 4.506 5.392 ( 1.268 0.000 2.340) 2.662 5.393 ( -1.314 0.000 -2.872) 3.158 5.448 ( 1.354 0.000 4.499) 4.698 5.508 ( 1.455 0.000 -0.482) 1.533 5.508 ( -1.503 0.000 1.915) 2.435 5.524 ( -0.269 0.000 0.413) 0.493 5.586 ( 0.977 0.000 3.184) 3.330 5.608 ( -1.358 0.000 -1.410) 1.958 5.710 ( -0.480 0.000 0.131) 0.498 5.730 ( 0.022 0.000 -1.086) 1.086 5.769 ( -1.359 0.000 1.484) 2.012 5.827 ( 2.781 0.000 0.620) 2.849 5.974 ( -0.070 0.000 -1.998) 1.999 6.035 ( 0.490 0.000 -0.310) 0.580 6.052 ( 1.312 0.000 -2.000) 2.392 6.086 ( 5.180 0.000 -0.468) 5.201 6.156 ( 1.636 0.000 1.629) 2.308 6.181 ( 2.062 0.000 -2.176) 2.998 6.222 ( -2.746 0.000 1.729) 3.245 6.347 ( 0.912 0.000 -0.260) 0.948 6.384 ( 0.546 0.000 0.293) 0.620 6.415 ( -0.369 0.000 -2.715) 2.740 6.555 ( 1.363 0.000 -0.552) 1.471 6.690 ( 0.345 0.000 -3.242) 3.260 6.843 ( 0.748 0.000 6.708) 6.750 7.264 ( -3.206 0.000 -1.189) 3.419 7.344 ( 0.028 0.000 1.047) 1.047 7.408 ( -3.689 0.000 -3.387) 5.008 7.427 ( -0.398 0.000 2.121) 2.158 7.473 ( -0.708 0.000 4.563) 4.618 7.498 ( -0.080 0.000 0.481) 0.487 7.755 ( -0.922 0.000 -3.481) 3.601 ======================= Grid point 22 (10/36) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 9.884 0.000 7.847) 12.620 0.537 ( 13.979 0.000 11.541) 18.127 0.809 ( -10.650 0.000 8.241) 13.466 0.827 ( 8.967 0.000 6.577) 11.121 1.013 ( -5.403 0.000 5.393) 7.634 1.103 ( 2.875 0.000 5.015) 5.781 1.217 ( -1.117 0.000 3.290) 3.474 1.234 ( 3.721 0.000 -6.485) 7.477 1.266 ( 5.417 0.000 -0.633) 5.454 1.307 ( 5.105 0.000 -3.605) 6.250 1.387 ( 0.546 0.000 -10.557) 10.571 1.443 ( 5.967 0.000 -4.465) 7.452 1.453 ( -5.226 0.000 -1.695) 5.494 1.525 ( -0.827 0.000 -3.685) 3.776 1.573 ( 0.771 0.000 0.738) 1.067 1.656 ( -3.828 0.000 -6.068) 7.174 1.682 ( 0.978 0.000 -5.512) 5.598 1.712 ( -1.032 0.000 -2.721) 2.910 1.811 ( -0.327 0.000 -5.557) 5.566 1.895 ( 0.143 0.000 1.673) 1.679 1.909 ( -1.937 0.000 1.989) 2.777 1.947 ( 0.543 0.000 -2.123) 2.191 2.020 ( -0.288 0.000 1.048) 1.087 2.055 ( -0.285 0.000 -0.567) 0.635 2.086 ( 1.066 0.000 2.336) 2.568 2.134 ( -8.242 0.000 1.704) 8.416 2.163 ( -5.637 0.000 3.492) 6.631 2.174 ( 3.725 0.000 2.280) 4.367 2.295 ( 2.712 0.000 -0.773) 2.820 2.300 ( 3.457 0.000 0.529) 3.497 2.374 ( -7.854 0.000 -2.953) 8.391 2.380 ( 8.063 0.000 1.794) 8.260 2.429 ( -1.474 0.000 7.825) 7.962 2.471 ( 1.098 0.000 3.819) 3.974 2.491 ( 3.648 0.000 1.783) 4.060 2.543 ( 5.712 0.000 1.477) 5.899 2.596 ( 1.500 0.000 5.439) 5.642 2.663 ( 2.416 0.000 -0.088) 2.418 2.688 ( -0.925 0.000 0.020) 0.925 2.714 ( 2.167 0.000 -4.139) 4.672 2.753 ( -2.181 0.000 -0.865) 2.346 2.820 ( 5.642 0.000 -0.778) 5.696 2.821 ( 3.512 0.000 -3.325) 4.836 2.877 ( -0.408 0.000 -2.918) 2.946 2.954 ( 2.001 0.000 0.970) 2.224 2.963 ( 3.740 0.000 0.650) 3.796 2.996 ( 1.904 0.000 -2.946) 3.508 3.038 ( 4.832 0.000 1.596) 5.088 3.061 ( 5.908 0.000 -3.637) 6.937 3.115 ( -0.352 0.000 2.571) 2.595 3.147 ( 2.138 0.000 -1.658) 2.706 3.191 ( -0.483 0.000 -1.076) 1.180 3.193 ( -0.241 0.000 0.040) 0.245 3.311 ( -1.203 0.000 0.071) 1.205 3.356 ( 3.725 0.000 1.150) 3.899 3.403 ( 4.399 0.000 1.590) 4.678 3.491 ( -0.370 0.000 -1.286) 1.338 3.539 ( 4.405 0.000 -1.279) 4.587 3.578 ( 9.011 0.000 -1.831) 9.195 3.653 ( 5.112 0.000 0.044) 5.112 3.665 ( 3.819 0.000 -5.429) 6.638 3.763 ( 1.727 0.000 -2.732) 3.232 3.792 ( 4.135 0.000 -0.217) 4.140 3.846 ( 0.602 0.000 -0.024) 0.603 3.978 ( 3.808 0.000 2.987) 4.840 3.996 ( 2.267 0.000 0.982) 2.470 4.069 ( 2.488 0.000 4.106) 4.801 4.138 ( 5.278 0.000 -1.921) 5.617 4.143 ( 4.000 0.000 0.584) 4.043 4.210 ( 5.378 0.000 -0.812) 5.439 4.225 ( -0.288 0.000 -2.176) 2.195 4.360 ( 5.390 0.000 -5.447) 7.662 4.386 ( 5.144 0.000 -4.300) 6.705 4.390 ( 2.120 0.000 1.213) 2.443 4.484 ( -1.055 0.000 2.468) 2.684 4.543 ( -1.999 0.000 7.489) 7.751 4.574 ( -0.745 0.000 -2.855) 2.951 4.656 ( 4.707 0.000 -1.285) 4.879 4.757 ( 2.236 0.000 -4.537) 5.058 4.787 ( 0.821 0.000 3.370) 3.469 4.889 ( 1.694 0.000 -1.175) 2.061 4.941 ( 2.810 0.000 1.442) 3.159 5.017 ( 0.709 0.000 1.268) 1.453 5.056 ( -1.566 0.000 -0.613) 1.682 5.132 ( 0.330 0.000 1.985) 2.012 5.182 ( -2.393 0.000 0.458) 2.436 5.218 ( -2.362 0.000 -2.558) 3.482 5.257 ( 1.858 0.000 -2.748) 3.318 5.332 ( -3.378 0.000 -3.042) 4.545 5.400 ( -1.226 0.000 -0.974) 1.566 5.434 ( -3.423 0.000 6.166) 7.052 5.458 ( -0.528 0.000 3.189) 3.232 5.514 ( -0.270 0.000 -0.038) 0.273 5.525 ( 0.708 0.000 1.966) 2.089 5.549 ( -4.101 0.000 -3.143) 5.167 5.606 ( 0.232 0.000 2.612) 2.622 5.690 ( -0.529 0.000 1.453) 1.547 5.721 ( -1.452 0.000 2.558) 2.942 5.751 ( 0.117 0.000 -1.723) 1.727 5.763 ( -4.785 0.000 2.017) 5.192 5.932 ( -2.719 0.000 -0.890) 2.861 6.010 ( -5.368 0.000 1.195) 5.499 6.044 ( 0.107 0.000 -1.268) 1.273 6.070 ( -1.255 0.000 -0.735) 1.455 6.177 ( -0.869 0.000 1.695) 1.905 6.198 ( -3.218 0.000 -5.579) 6.441 6.258 ( 5.954 0.000 -0.355) 5.964 6.358 ( -2.480 0.000 0.601) 2.552 6.390 ( -2.279 0.000 -3.094) 3.842 6.500 ( 0.803 0.000 0.026) 0.803 6.611 ( 8.096 0.000 -2.055) 8.353 6.648 ( -3.913 0.000 -1.631) 4.239 6.818 ( -2.628 0.000 6.339) 6.862 7.076 ( -9.389 0.000 1.175) 9.462 7.312 ( -5.416 0.000 2.975) 6.179 7.333 ( -1.622 0.000 1.331) 2.098 7.361 ( -4.397 0.000 1.986) 4.825 7.417 ( -3.249 0.000 2.306) 3.984 7.477 ( -0.893 0.000 0.860) 1.240 7.615 ( -8.482 0.000 -1.559) 8.624 ======================= Grid point 23 (11/36) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -13.044 0.000 7.044) 14.825 0.655 ( 11.283 0.000 -7.356) 13.470 0.833 ( -1.355 0.000 6.597) 6.735 0.854 ( -7.728 0.000 -0.826) 7.772 0.887 ( 6.892 0.000 3.327) 7.652 1.066 ( 3.514 0.000 -3.042) 4.648 1.253 ( 0.577 0.000 -3.254) 3.304 1.303 ( 2.046 0.000 -5.859) 6.206 1.340 ( -2.535 0.000 -4.815) 5.442 1.404 ( 1.654 0.000 -4.254) 4.564 1.459 ( 5.106 0.000 3.295) 6.077 1.483 ( 5.428 0.000 1.062) 5.531 1.508 ( 1.860 0.000 -6.015) 6.296 1.527 ( -5.813 0.000 4.009) 7.061 1.606 ( 10.459 0.000 -1.326) 10.543 1.643 ( 6.642 0.000 3.029) 7.300 1.658 ( -4.279 0.000 -4.139) 5.953 1.725 ( 0.904 0.000 -1.569) 1.811 1.755 ( -3.722 0.000 0.967) 3.846 1.840 ( -8.318 0.000 3.343) 8.964 1.845 ( -5.305 0.000 -1.360) 5.476 1.946 ( -3.172 0.000 -2.540) 4.064 1.963 ( -0.681 0.000 3.838) 3.898 1.995 ( 1.444 0.000 -1.411) 2.019 2.050 ( -4.740 0.000 2.053) 5.166 2.071 ( 0.022 0.000 3.813) 3.813 2.144 ( -9.018 0.000 0.085) 9.018 2.166 ( 5.946 0.000 -0.169) 5.948 2.272 ( 0.954 0.000 4.273) 4.378 2.329 ( -0.131 0.000 -1.180) 1.188 2.352 ( 1.685 0.000 -1.640) 2.351 2.399 ( -0.950 0.000 7.028) 7.092 2.473 ( -0.162 0.000 3.173) 3.178 2.519 ( -1.057 0.000 1.772) 2.063 2.551 ( 3.341 0.000 1.360) 3.607 2.619 ( -4.230 0.000 -6.981) 8.163 2.653 ( 6.025 0.000 5.230) 7.978 2.674 ( 3.175 0.000 -1.900) 3.700 2.715 ( 1.854 0.000 -1.792) 2.579 2.719 ( 2.304 0.000 2.100) 3.118 2.785 ( 3.048 0.000 -0.695) 3.127 2.835 ( -0.214 0.000 0.754) 0.784 2.926 ( 6.962 0.000 -2.662) 7.453 2.973 ( 3.428 0.000 1.208) 3.634 2.983 ( 0.111 0.000 -4.047) 4.048 3.032 ( 1.220 0.000 1.725) 2.113 3.044 ( 3.954 0.000 -1.782) 4.337 3.103 ( 0.699 0.000 1.323) 1.497 3.149 ( 4.942 0.000 -0.303) 4.951 3.157 ( 3.224 0.000 -5.492) 6.368 3.178 ( 0.089 0.000 2.318) 2.319 3.230 ( 2.147 0.000 2.748) 3.487 3.249 ( 4.237 0.000 -0.547) 4.272 3.316 ( 2.823 0.000 -1.576) 3.233 3.419 ( 0.526 0.000 -2.004) 2.072 3.470 ( 2.091 0.000 0.313) 2.114 3.559 ( 6.802 0.000 2.656) 7.302 3.631 ( 3.913 0.000 -2.847) 4.840 3.729 ( 2.364 0.000 2.170) 3.209 3.737 ( 2.499 0.000 -5.036) 5.622 3.833 ( 12.643 0.000 -2.673) 12.922 3.834 ( 3.355 0.000 -2.573) 4.228 3.870 ( 3.411 0.000 1.768) 3.842 3.917 ( 6.497 0.000 -0.304) 6.504 4.062 ( 5.183 0.000 0.412) 5.200 4.078 ( 4.384 0.000 1.117) 4.524 4.126 ( 2.343 0.000 7.507) 7.864 4.206 ( -0.203 0.000 -2.466) 2.474 4.267 ( 6.498 0.000 2.451) 6.945 4.271 ( 6.147 0.000 -2.080) 6.489 4.352 ( 7.751 0.000 -1.656) 7.926 4.387 ( -0.119 0.000 0.749) 0.758 4.455 ( 0.685 0.000 2.913) 2.993 4.475 ( 2.293 0.000 3.399) 4.100 4.478 ( 5.550 0.000 2.637) 6.145 4.560 ( -0.385 0.000 -3.626) 3.646 4.609 ( 5.728 0.000 -1.744) 5.988 4.752 ( 4.273 0.000 -1.010) 4.390 4.797 ( 1.026 0.000 -3.834) 3.969 4.811 ( 2.068 0.000 2.865) 3.533 4.937 ( -3.518 0.000 -0.359) 3.536 4.940 ( 3.566 0.000 -2.863) 4.574 4.980 ( -4.063 0.000 1.484) 4.325 5.052 ( -1.490 0.000 1.670) 2.238 5.142 ( 0.358 0.000 2.411) 2.438 5.189 ( -4.160 0.000 -1.945) 4.592 5.195 ( 0.594 0.000 -3.100) 3.156 5.211 ( 6.620 0.000 1.325) 6.752 5.315 ( -4.279 0.000 1.702) 4.605 5.346 ( 2.652 0.000 -2.742) 3.815 5.427 ( -1.200 0.000 -3.473) 3.675 5.441 ( -0.906 0.000 -1.497) 1.750 5.457 ( -2.252 0.000 -1.804) 2.886 5.520 ( 1.327 0.000 1.483) 1.990 5.535 ( -0.406 0.000 3.217) 3.242 5.580 ( -3.002 0.000 1.360) 3.296 5.673 ( -1.535 0.000 1.566) 2.192 5.676 ( -3.064 0.000 1.594) 3.454 5.698 ( -0.857 0.000 3.252) 3.363 5.744 ( -1.564 0.000 -2.373) 2.841 5.856 ( -9.056 0.000 3.588) 9.741 5.898 ( 0.150 0.000 0.148) 0.211 5.990 ( -7.531 0.000 -0.978) 7.594 6.032 ( -1.561 0.000 -1.495) 2.161 6.116 ( -3.427 0.000 -4.636) 5.765 6.148 ( -2.427 0.000 -2.456) 3.453 6.299 ( -2.939 0.000 1.066) 3.126 6.308 ( -4.033 0.000 -1.712) 4.382 6.380 ( 3.937 0.000 -1.183) 4.111 6.462 ( -1.730 0.000 1.009) 2.003 6.564 ( -2.656 0.000 1.917) 3.275 6.735 ( 2.218 0.000 3.531) 4.170 6.778 ( -0.735 0.000 5.702) 5.749 6.990 ( 0.404 0.000 -7.550) 7.561 7.092 ( -12.964 0.000 4.447) 13.705 7.311 ( -0.913 0.000 0.979) 1.338 7.317 ( -1.271 0.000 1.068) 1.660 7.349 ( -3.226 0.000 1.612) 3.606 7.434 ( -7.680 0.000 -3.663) 8.509 7.457 ( -1.157 0.000 0.077) 1.159 ======================= Grid point 24 (12/36) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 2.164 0.000 0.505) 2.222 0.604 ( -8.212 0.000 -0.899) 8.261 0.649 ( -9.041 0.000 0.676) 9.066 0.922 ( 10.925 0.000 -12.004) 16.232 1.155 ( 11.091 0.000 3.814) 11.728 1.202 ( -0.522 0.000 -6.161) 6.183 1.233 ( 4.171 0.000 -6.356) 7.602 1.304 ( -5.250 0.000 -3.411) 6.261 1.353 ( 3.264 0.000 2.303) 3.994 1.374 ( -2.518 0.000 -5.486) 6.036 1.421 ( -1.599 0.000 -0.869) 1.820 1.471 ( 1.135 0.000 -1.470) 1.857 1.563 ( 3.856 0.000 -2.600) 4.651 1.566 ( -3.610 0.000 -1.042) 3.758 1.599 ( -3.466 0.000 3.227) 4.736 1.643 ( 5.553 0.000 1.111) 5.663 1.651 ( -7.796 0.000 1.643) 7.967 1.685 ( -4.442 0.000 -1.059) 4.567 1.749 ( -2.422 0.000 1.323) 2.759 1.805 ( -7.817 0.000 -2.106) 8.096 1.834 ( 5.844 0.000 3.233) 6.679 1.865 ( 5.983 0.000 0.917) 6.053 1.883 ( -4.660 0.000 3.169) 5.635 1.913 ( -2.852 0.000 6.330) 6.943 2.058 ( 3.439 0.000 1.245) 3.657 2.098 ( 2.372 0.000 2.260) 3.277 2.174 ( -7.778 0.000 6.550) 10.168 2.199 ( 7.892 0.000 3.574) 8.664 2.277 ( -1.871 0.000 -0.676) 1.990 2.329 ( 3.233 0.000 2.245) 3.936 2.355 ( -1.771 0.000 2.287) 2.893 2.400 ( -0.985 0.000 -0.768) 1.249 2.443 ( -4.245 0.000 -2.262) 4.810 2.502 ( 4.644 0.000 -0.000) 4.644 2.552 ( -1.487 0.000 -4.494) 4.734 2.611 ( 1.474 0.000 -1.048) 1.808 2.676 ( 0.818 0.000 -1.049) 1.331 2.720 ( -0.378 0.000 -0.633) 0.737 2.771 ( 4.093 0.000 3.499) 5.385 2.808 ( 2.871 0.000 2.646) 3.904 2.845 ( 2.181 0.000 0.743) 2.304 2.879 ( 4.072 0.000 -0.910) 4.173 2.944 ( -2.680 0.000 0.774) 2.790 2.976 ( -1.583 0.000 -0.143) 1.589 3.016 ( -2.401 0.000 1.427) 2.793 3.041 ( 0.985 0.000 -0.145) 0.996 3.110 ( 1.184 0.000 0.363) 1.238 3.116 ( 0.945 0.000 -0.040) 0.946 3.178 ( 0.060 0.000 -1.092) 1.094 3.213 ( 2.340 0.000 -3.516) 4.224 3.230 ( 1.059 0.000 -1.922) 2.195 3.258 ( 1.408 0.000 1.720) 2.223 3.315 ( 1.654 0.000 -0.943) 1.904 3.395 ( 3.183 0.000 -1.446) 3.496 3.397 ( -1.234 0.000 -4.189) 4.368 3.528 ( 3.082 0.000 -0.166) 3.086 3.671 ( 2.526 0.000 2.174) 3.333 3.677 ( 0.284 0.000 -2.146) 2.165 3.761 ( 1.355 0.000 2.194) 2.579 3.763 ( -0.098 0.000 -2.035) 2.038 3.843 ( -0.683 0.000 0.089) 0.689 3.966 ( 1.193 0.000 -1.126) 1.641 3.973 ( 3.019 0.000 0.368) 3.042 4.085 ( 6.584 0.000 -0.137) 6.585 4.140 ( -0.888 0.000 8.897) 8.941 4.143 ( 1.650 0.000 1.216) 2.050 4.195 ( 0.165 0.000 -3.201) 3.205 4.207 ( 6.263 0.000 0.930) 6.332 4.359 ( 1.256 0.000 -3.754) 3.959 4.384 ( 0.668 0.000 3.132) 3.202 4.392 ( 2.134 0.000 0.526) 2.197 4.490 ( 1.612 0.000 0.994) 1.894 4.509 ( 6.245 0.000 -2.374) 6.681 4.517 ( -0.177 0.000 2.279) 2.286 4.547 ( -0.446 0.000 -0.230) 0.502 4.598 ( 5.967 0.000 -1.788) 6.229 4.696 ( 3.356 0.000 -0.886) 3.471 4.795 ( -0.108 0.000 -1.061) 1.067 4.833 ( -5.486 0.000 1.468) 5.679 4.839 ( 2.975 0.000 2.978) 4.209 4.885 ( -4.887 0.000 3.555) 6.044 4.914 ( 7.932 0.000 1.715) 8.115 4.952 ( -4.274 0.000 1.623) 4.572 5.039 ( 3.698 0.000 -1.246) 3.902 5.121 ( -4.058 0.000 -1.894) 4.478 5.189 ( 3.497 0.000 -0.007) 3.497 5.205 ( 4.210 0.000 -2.617) 4.957 5.290 ( -3.092 0.000 -4.102) 5.137 5.374 ( 0.418 0.000 -1.769) 1.818 5.387 ( 6.085 0.000 -2.200) 6.470 5.414 ( 7.005 0.000 0.068) 7.006 5.428 ( -0.302 0.000 -1.374) 1.407 5.477 ( 1.462 0.000 -1.226) 1.907 5.481 ( -4.675 0.000 0.568) 4.710 5.522 ( -0.673 0.000 1.124) 1.310 5.579 ( -2.727 0.000 1.015) 2.910 5.583 ( -9.007 0.000 3.613) 9.705 5.605 ( -0.439 0.000 0.012) 0.439 5.673 ( -4.445 0.000 2.206) 4.962 5.673 ( -0.888 0.000 -3.273) 3.391 5.723 ( -1.809 0.000 1.570) 2.395 5.785 ( -7.077 0.000 1.785) 7.299 5.951 ( -0.821 0.000 -4.371) 4.447 5.960 ( 0.216 0.000 2.595) 2.604 6.077 ( -2.848 0.000 -5.997) 6.639 6.080 ( 0.026 0.000 -3.079) 3.079 6.236 ( -2.559 0.000 1.225) 2.837 6.261 ( 0.014 0.000 1.487) 1.487 6.403 ( -1.309 0.000 -2.740) 3.036 6.454 ( 0.344 0.000 -2.070) 2.098 6.582 ( 3.001 0.000 5.126) 5.939 6.724 ( -2.671 0.000 3.436) 4.352 6.790 ( -0.502 0.000 3.547) 3.582 6.843 ( -7.510 0.000 5.796) 9.487 7.029 ( 2.826 0.000 -5.686) 6.349 7.269 ( -2.449 0.000 -1.781) 3.028 7.291 ( -1.873 0.000 1.036) 2.140 7.306 ( 0.151 0.000 2.138) 2.144 7.358 ( 0.423 0.000 -3.054) 3.083 7.429 ( -1.435 0.000 -0.454) 1.506 ======================= Grid point 25 (13/36) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -2.654 0.000 5.814) 6.391 0.559 ( 9.906 0.000 -4.911) 11.056 0.607 ( 9.198 0.000 -1.378) 9.301 0.978 ( -9.138 0.000 -9.936) 13.499 1.133 ( -9.619 0.000 -1.658) 9.761 1.153 ( -0.479 0.000 -1.724) 1.790 1.220 ( -3.015 0.000 0.469) 3.051 1.319 ( 6.180 0.000 -6.351) 8.862 1.372 ( -6.404 0.000 -1.195) 6.514 1.423 ( 4.295 0.000 -3.065) 5.277 1.480 ( 0.978 0.000 -5.385) 5.474 1.481 ( 7.705 0.000 0.548) 7.725 1.532 ( -8.173 0.000 -2.001) 8.415 1.543 ( 0.898 0.000 -0.096) 0.903 1.555 ( 2.609 0.000 2.647) 3.717 1.621 ( 2.790 0.000 -1.384) 3.114 1.653 ( 0.856 0.000 -0.843) 1.201 1.666 ( -4.543 0.000 -1.498) 4.784 1.744 ( 8.392 0.000 1.116) 8.466 1.777 ( -3.630 0.000 4.241) 5.583 1.791 ( -0.115 0.000 3.579) 3.581 1.812 ( 2.474 0.000 0.713) 2.574 1.954 ( 4.469 0.000 6.159) 7.609 2.013 ( 2.391 0.000 -0.493) 2.441 2.022 ( -5.691 0.000 7.619) 9.510 2.131 ( 0.148 0.000 2.236) 2.241 2.169 ( 0.301 0.000 -1.948) 1.971 2.213 ( -2.507 0.000 -1.119) 2.746 2.230 ( 1.592 0.000 7.983) 8.140 2.306 ( -6.615 0.000 -3.270) 7.379 2.309 ( -3.956 0.000 -0.647) 4.009 2.382 ( 0.738 0.000 3.966) 4.034 2.425 ( 4.331 0.000 0.552) 4.366 2.550 ( 2.257 0.000 1.289) 2.599 2.551 ( -2.862 0.000 -2.083) 3.540 2.692 ( 4.647 0.000 -3.484) 5.808 2.715 ( 1.022 0.000 -1.290) 1.646 2.727 ( 2.134 0.000 3.758) 4.322 2.819 ( -0.285 0.000 2.320) 2.337 2.844 ( 0.027 0.000 1.055) 1.056 2.864 ( 0.205 0.000 0.524) 0.563 2.886 ( -1.459 0.000 0.844) 1.685 2.938 ( -2.112 0.000 0.789) 2.254 2.955 ( 2.552 0.000 -0.819) 2.681 2.965 ( -0.974 0.000 -0.306) 1.021 3.009 ( -2.929 0.000 3.503) 4.567 3.061 ( -4.892 0.000 -2.059) 5.308 3.114 ( -2.701 0.000 -3.070) 4.090 3.161 ( -1.314 0.000 -1.387) 1.911 3.200 ( -3.071 0.000 -1.603) 3.464 3.256 ( 1.133 0.000 -2.177) 2.454 3.271 ( -0.680 0.000 0.602) 0.908 3.299 ( -2.579 0.000 -0.600) 2.648 3.395 ( 0.801 0.000 -4.166) 4.243 3.421 ( -0.540 0.000 -0.568) 0.784 3.577 ( 0.486 0.000 1.677) 1.746 3.646 ( -3.022 0.000 -2.266) 3.778 3.657 ( -3.069 0.000 -1.257) 3.317 3.722 ( -3.722 0.000 1.270) 3.933 3.786 ( 0.432 0.000 2.233) 2.274 3.816 ( -1.889 0.000 -0.710) 2.018 3.961 ( -1.623 0.000 -1.190) 2.013 3.978 ( -2.083 0.000 0.588) 2.164 4.089 ( -6.190 0.000 -1.288) 6.323 4.107 ( -1.952 0.000 8.665) 8.882 4.145 ( -2.309 0.000 -0.588) 2.382 4.158 ( -3.556 0.000 -1.150) 3.737 4.284 ( -0.612 0.000 0.155) 0.632 4.319 ( -5.392 0.000 -0.580) 5.423 4.331 ( -3.885 0.000 -0.500) 3.917 4.379 ( -1.444 0.000 -1.664) 2.203 4.464 ( -5.985 0.000 -0.486) 6.004 4.481 ( -2.189 0.000 1.665) 2.751 4.496 ( -0.680 0.000 -1.351) 1.513 4.607 ( 2.336 0.000 -1.524) 2.789 4.660 ( -8.987 0.000 2.591) 9.353 4.766 ( 2.356 0.000 3.342) 4.089 4.770 ( 6.848 0.000 -2.593) 7.323 4.813 ( 2.755 0.000 -0.005) 2.755 4.876 ( -1.058 0.000 5.335) 5.439 4.887 ( 5.231 0.000 3.634) 6.370 4.941 ( -3.726 0.000 0.952) 3.846 4.991 ( 5.990 0.000 2.910) 6.660 5.039 ( -1.060 0.000 -2.745) 2.943 5.161 ( 4.277 0.000 0.884) 4.367 5.213 ( -0.813 0.000 1.519) 1.723 5.215 ( -5.704 0.000 -4.950) 7.553 5.287 ( -4.731 0.000 -2.527) 5.364 5.308 ( -6.415 0.000 -4.108) 7.618 5.327 ( -5.271 0.000 -1.970) 5.628 5.431 ( 2.065 0.000 0.843) 2.231 5.447 ( 1.910 0.000 -3.141) 3.676 5.472 ( -0.075 0.000 0.089) 0.116 5.480 ( -2.710 0.000 -0.503) 2.756 5.503 ( -2.990 0.000 -2.248) 3.741 5.506 ( 1.079 0.000 0.114) 1.085 5.521 ( 0.313 0.000 0.024) 0.314 5.587 ( 3.930 0.000 2.166) 4.487 5.620 ( 4.329 0.000 0.394) 4.347 5.721 ( 2.468 0.000 2.497) 3.511 5.800 ( 3.990 0.000 -0.070) 3.991 5.819 ( 6.514 0.000 2.004) 6.815 5.858 ( -0.634 0.000 -0.757) 0.988 6.032 ( 1.508 0.000 -2.027) 2.527 6.109 ( 2.793 0.000 -1.360) 3.106 6.112 ( 5.939 0.000 -5.988) 8.433 6.223 ( 1.705 0.000 0.377) 1.747 6.286 ( 2.352 0.000 3.254) 4.015 6.355 ( -2.268 0.000 -1.209) 2.570 6.449 ( -0.794 0.000 -3.628) 3.714 6.609 ( -0.730 0.000 5.118) 5.170 6.643 ( -4.723 0.000 1.141) 4.859 6.679 ( -3.638 0.000 2.149) 4.225 6.928 ( 8.949 0.000 5.634) 10.574 7.117 ( 5.912 0.000 -1.545) 6.110 7.245 ( -0.033 0.000 -3.065) 3.065 7.273 ( 0.187 0.000 0.936) 0.955 7.331 ( 1.993 0.000 2.513) 3.208 7.386 ( 1.450 0.000 -2.278) 2.700 7.411 ( 0.498 0.000 -1.062) 1.173 ======================= Grid point 26 (14/36) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 3.462 0.000 4.496) 5.675 0.704 ( -14.312 0.000 -2.540) 14.536 0.708 ( 0.589 0.000 2.419) 2.490 0.904 ( 16.173 0.000 -0.532) 16.182 0.917 ( -5.878 0.000 3.566) 6.875 1.082 ( -6.989 0.000 4.798) 8.478 1.209 ( -1.866 0.000 -7.908) 8.125 1.306 ( 4.372 0.000 -2.781) 5.182 1.342 ( -6.155 0.000 -0.774) 6.203 1.408 ( -2.880 0.000 -7.482) 8.017 1.446 ( -4.519 0.000 -2.473) 5.152 1.494 ( 0.279 0.000 -5.771) 5.778 1.512 ( 4.632 0.000 -2.986) 5.511 1.516 ( -6.714 0.000 7.398) 9.991 1.629 ( -1.684 0.000 0.268) 1.705 1.660 ( -1.008 0.000 -3.340) 3.489 1.664 ( 3.041 0.000 2.326) 3.828 1.736 ( 11.904 0.000 0.407) 11.911 1.779 ( 2.293 0.000 -0.115) 2.296 1.799 ( -1.977 0.000 -4.175) 4.620 1.860 ( -1.731 0.000 2.229) 2.822 1.928 ( 5.008 0.000 -1.829) 5.332 1.994 ( 9.285 0.000 3.452) 9.906 2.005 ( 1.016 0.000 5.804) 5.893 2.044 ( 0.082 0.000 -2.474) 2.476 2.077 ( -5.402 0.000 -2.234) 5.845 2.126 ( 2.910 0.000 1.648) 3.344 2.174 ( -1.350 0.000 1.409) 1.952 2.197 ( -2.931 0.000 3.674) 4.699 2.223 ( 0.723 0.000 1.352) 1.533 2.360 ( 3.154 0.000 2.690) 4.145 2.400 ( -0.280 0.000 0.400) 0.489 2.470 ( -3.248 0.000 -0.705) 3.324 2.520 ( 3.163 0.000 4.924) 5.853 2.621 ( 3.828 0.000 0.697) 3.891 2.644 ( -5.133 0.000 4.531) 6.847 2.665 ( -5.040 0.000 -1.405) 5.232 2.727 ( -5.257 0.000 6.435) 8.310 2.798 ( -3.217 0.000 -2.505) 4.077 2.824 ( -1.455 0.000 -3.723) 3.997 2.856 ( -1.761 0.000 1.649) 2.413 2.857 ( -5.986 0.000 2.613) 6.532 2.891 ( -2.925 0.000 -4.544) 5.404 2.906 ( -2.662 0.000 -3.546) 4.434 2.960 ( 0.950 0.000 -1.398) 1.690 2.997 ( 0.824 0.000 0.771) 1.128 3.021 ( -3.120 0.000 -1.593) 3.503 3.035 ( 1.126 0.000 -2.599) 2.832 3.098 ( -3.828 0.000 0.768) 3.904 3.146 ( -2.590 0.000 0.094) 2.591 3.215 ( -5.730 0.000 -2.648) 6.313 3.246 ( -1.362 0.000 0.495) 1.450 3.246 ( -0.610 0.000 0.635) 0.880 3.393 ( -1.609 0.000 0.770) 1.784 3.420 ( 1.113 0.000 -2.509) 2.745 3.503 ( -6.767 0.000 2.268) 7.137 3.545 ( -7.123 0.000 2.208) 7.457 3.549 ( -5.967 0.000 -3.362) 6.849 3.663 ( -1.224 0.000 -4.205) 4.379 3.757 ( -3.574 0.000 0.764) 3.655 3.780 ( -1.653 0.000 0.691) 1.792 3.840 ( -10.757 0.000 -3.508) 11.315 3.890 ( -5.637 0.000 -1.335) 5.793 3.922 ( -6.929 0.000 -0.507) 6.947 4.049 ( -4.051 0.000 2.700) 4.868 4.051 ( -4.613 0.000 1.742) 4.931 4.080 ( -2.658 0.000 2.003) 3.328 4.214 ( -4.416 0.000 -1.238) 4.586 4.233 ( -3.978 0.000 -0.512) 4.011 4.248 ( -3.207 0.000 -0.673) 3.277 4.332 ( -3.806 0.000 -0.779) 3.885 4.341 ( -4.958 0.000 2.830) 5.709 4.404 ( -3.899 0.000 -1.262) 4.098 4.500 ( 0.600 0.000 -0.465) 0.759 4.504 ( -5.425 0.000 2.222) 5.862 4.614 ( -0.498 0.000 -0.904) 1.033 4.757 ( -3.370 0.000 6.411) 7.243 4.809 ( -3.674 0.000 0.681) 3.736 4.867 ( 2.902 0.000 -2.565) 3.873 4.867 ( -4.241 0.000 1.459) 4.485 4.909 ( 1.554 0.000 -3.707) 4.019 4.960 ( 0.745 0.000 1.610) 1.774 5.004 ( -3.869 0.000 -0.371) 3.886 5.051 ( -2.196 0.000 1.561) 2.695 5.108 ( -4.198 0.000 -3.068) 5.200 5.131 ( -2.372 0.000 1.763) 2.955 5.194 ( 3.843 0.000 3.029) 4.893 5.208 ( 7.174 0.000 -2.644) 7.645 5.311 ( -0.524 0.000 -3.075) 3.120 5.313 ( 3.584 0.000 -0.743) 3.660 5.409 ( -2.197 0.000 -1.078) 2.447 5.418 ( -1.766 0.000 0.930) 1.996 5.451 ( -0.865 0.000 -5.673) 5.739 5.508 ( 2.588 0.000 -0.873) 2.732 5.535 ( 2.538 0.000 1.195) 2.805 5.544 ( 2.738 0.000 2.279) 3.562 5.624 ( 1.500 0.000 -0.842) 1.720 5.660 ( 4.061 0.000 4.245) 5.875 5.666 ( 3.345 0.000 2.250) 4.032 5.804 ( 5.291 0.000 0.954) 5.377 5.807 ( -0.309 0.000 -1.481) 1.513 5.896 ( 1.731 0.000 2.373) 2.938 5.975 ( 5.839 0.000 -0.993) 5.923 6.063 ( -0.730 0.000 -3.816) 3.885 6.178 ( 2.299 0.000 -0.969) 2.495 6.205 ( 6.194 0.000 -0.541) 6.217 6.284 ( 2.712 0.000 0.041) 2.712 6.291 ( -2.071 0.000 -2.330) 3.117 6.437 ( 0.675 0.000 -3.498) 3.563 6.437 ( 7.631 0.000 3.057) 8.220 6.536 ( -5.630 0.000 -1.265) 5.771 6.580 ( -3.175 0.000 5.508) 6.357 6.661 ( 3.652 0.000 -0.420) 3.676 7.154 ( 11.296 0.000 5.455) 12.544 7.241 ( 4.732 0.000 2.769) 5.482 7.257 ( 1.414 0.000 -2.612) 2.971 7.295 ( 1.626 0.000 0.618) 1.740 7.384 ( 2.790 0.000 2.624) 3.830 7.426 ( 2.409 0.000 -2.173) 3.245 7.461 ( 4.984 0.000 -1.991) 5.367 ======================= Grid point 27 (15/36) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -9.620 0.000 10.106) 13.953 0.452 ( -10.918 0.000 8.040) 13.559 0.734 ( 7.979 0.000 5.733) 9.825 0.842 ( -15.693 0.000 15.547) 22.090 0.966 ( 5.176 0.000 1.972) 5.539 1.168 ( 1.732 0.000 2.802) 3.294 1.188 ( -0.043 0.000 -6.917) 6.917 1.214 ( -0.828 0.000 5.485) 5.547 1.312 ( -5.125 0.000 -3.023) 5.950 1.361 ( 1.579 0.000 -5.284) 5.515 1.386 ( -5.314 0.000 -3.568) 6.401 1.446 ( 2.322 0.000 -7.205) 7.570 1.533 ( 4.330 0.000 -0.948) 4.433 1.581 ( -4.877 0.000 -8.950) 10.192 1.598 ( 2.181 0.000 -1.922) 2.907 1.606 ( -0.473 0.000 -3.595) 3.626 1.696 ( 1.269 0.000 0.348) 1.316 1.697 ( -2.619 0.000 -0.825) 2.746 1.734 ( -3.931 0.000 -2.194) 4.502 1.903 ( 3.621 0.000 -5.969) 6.981 1.914 ( -0.922 0.000 -4.001) 4.106 1.991 ( 1.999 0.000 1.267) 2.367 2.014 ( 0.532 0.000 2.676) 2.728 2.053 ( 5.268 0.000 -0.794) 5.328 2.087 ( 1.301 0.000 4.598) 4.778 2.134 ( 2.023 0.000 1.849) 2.741 2.165 ( -1.481 0.000 1.898) 2.408 2.189 ( 3.152 0.000 -2.044) 3.756 2.233 ( 4.890 0.000 2.309) 5.408 2.280 ( 1.295 0.000 2.730) 3.022 2.344 ( 0.147 0.000 0.915) 0.926 2.362 ( -1.766 0.000 -2.579) 3.125 2.460 ( -1.183 0.000 4.263) 4.424 2.478 ( -6.715 0.000 4.429) 8.044 2.546 ( -3.945 0.000 4.860) 6.260 2.554 ( -2.347 0.000 4.372) 4.962 2.600 ( -6.629 0.000 5.549) 8.645 2.674 ( -3.935 0.000 -2.151) 4.484 2.726 ( -2.128 0.000 -2.410) 3.215 2.744 ( 3.295 0.000 0.300) 3.308 2.755 ( -5.932 0.000 -6.850) 9.061 2.795 ( -2.612 0.000 -0.708) 2.706 2.831 ( -2.130 0.000 1.747) 2.754 2.893 ( 1.009 0.000 -5.272) 5.367 2.924 ( -2.697 0.000 -3.295) 4.258 2.960 ( -3.433 0.000 0.533) 3.474 3.018 ( -2.823 0.000 4.508) 5.319 3.025 ( -2.557 0.000 -2.644) 3.679 3.066 ( 2.364 0.000 -3.422) 4.159 3.069 ( -7.224 0.000 -3.691) 8.113 3.086 ( -1.988 0.000 1.475) 2.476 3.233 ( 0.521 0.000 1.580) 1.664 3.266 ( 1.005 0.000 0.469) 1.109 3.325 ( -6.700 0.000 0.453) 6.715 3.368 ( -0.946 0.000 -1.539) 1.807 3.406 ( -2.795 0.000 1.164) 3.027 3.436 ( -2.560 0.000 -0.024) 2.560 3.486 ( 0.255 0.000 -0.159) 0.300 3.597 ( -8.658 0.000 -3.277) 9.257 3.663 ( 2.090 0.000 -3.250) 3.864 3.702 ( -3.009 0.000 -0.854) 3.128 3.704 ( -4.158 0.000 -1.833) 4.544 3.772 ( -6.847 0.000 -0.113) 6.848 3.832 ( -0.127 0.000 0.165) 0.209 3.971 ( -2.162 0.000 2.219) 3.098 3.979 ( -2.771 0.000 1.795) 3.302 4.039 ( -1.495 0.000 2.131) 2.603 4.135 ( -2.194 0.000 -0.354) 2.222 4.163 ( -4.264 0.000 -2.164) 4.781 4.168 ( -3.827 0.000 -1.271) 4.033 4.208 ( -6.789 0.000 0.518) 6.809 4.272 ( -2.198 0.000 1.058) 2.439 4.360 ( -1.218 0.000 -6.293) 6.410 4.426 ( -2.654 0.000 1.865) 3.243 4.499 ( -0.627 0.000 0.905) 1.101 4.604 ( -0.389 0.000 -0.984) 1.058 4.681 ( -3.880 0.000 7.027) 8.027 4.696 ( -5.700 0.000 -2.284) 6.140 4.795 ( -4.984 0.000 -6.103) 7.880 4.809 ( -1.872 0.000 1.412) 2.345 4.894 ( -2.002 0.000 0.684) 2.115 4.912 ( -3.738 0.000 1.109) 3.899 4.985 ( 2.059 0.000 -3.442) 4.010 5.086 ( 3.817 0.000 2.678) 4.663 5.097 ( 0.444 0.000 0.153) 0.470 5.125 ( 0.575 0.000 1.906) 1.991 5.274 ( -1.264 0.000 -5.289) 5.438 5.314 ( 0.703 0.000 -1.466) 1.626 5.360 ( 2.494 0.000 -1.175) 2.757 5.365 ( 4.529 0.000 -2.704) 5.275 5.409 ( 6.594 0.000 7.549) 10.024 5.415 ( 1.133 0.000 3.494) 3.673 5.456 ( 1.957 0.000 -2.485) 3.163 5.532 ( -0.019 0.000 -0.023) 0.030 5.570 ( 0.837 0.000 2.000) 2.169 5.615 ( 1.394 0.000 0.073) 1.396 5.627 ( 2.735 0.000 5.032) 5.727 5.720 ( 1.415 0.000 0.813) 1.632 5.739 ( 2.465 0.000 1.215) 2.748 5.793 ( -0.936 0.000 0.589) 1.106 5.925 ( 5.667 0.000 1.036) 5.761 5.939 ( 2.279 0.000 -0.026) 2.279 6.035 ( -0.597 0.000 -2.347) 2.421 6.049 ( 1.827 0.000 -1.049) 2.107 6.175 ( -2.383 0.000 4.312) 4.926 6.265 ( -2.848 0.000 -4.501) 5.326 6.273 ( -0.676 0.000 -4.488) 4.539 6.340 ( 3.731 0.000 -0.602) 3.779 6.413 ( -5.322 0.000 -0.236) 5.327 6.442 ( -3.255 0.000 2.734) 4.251 6.495 ( 3.922 0.000 -1.815) 4.321 6.633 ( 5.019 0.000 -2.122) 5.449 6.773 ( 5.399 0.000 4.419) 6.977 7.275 ( 0.741 0.000 -1.834) 1.978 7.326 ( 1.759 0.000 1.429) 2.266 7.360 ( 6.673 0.000 2.766) 7.224 7.364 ( 6.784 0.000 3.793) 7.773 7.440 ( 2.382 0.000 2.984) 3.818 7.458 ( 1.138 0.000 -0.548) 1.263 7.617 ( 8.630 0.000 -0.952) 8.683 ======================= Grid point 28 (16/36) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 0.585 13.674 9.731) 16.793 0.528 ( -2.207 13.199 11.843) 17.870 0.778 ( -0.485 -10.070 7.721) 12.698 0.827 ( 0.113 -11.060 4.064) 11.783 0.954 ( 4.539 14.085 10.662) 18.239 1.071 ( 1.660 4.525 3.363) 5.877 1.110 ( 3.183 -5.925 1.267) 6.844 1.288 ( -3.784 -6.145 -6.001) 9.386 1.314 ( -5.632 7.625 -0.734) 9.508 1.354 ( 0.365 6.346 -2.833) 6.959 1.415 ( -1.437 2.349 -11.820) 12.137 1.443 ( -0.851 7.443 -7.062) 10.296 1.479 ( -2.149 -2.545 -6.418) 7.230 1.519 ( 2.984 -2.935 -2.616) 4.936 1.591 ( -0.693 -4.382 -2.752) 5.220 1.703 ( -2.372 7.155 1.554) 7.697 1.717 ( 1.623 1.281 -1.281) 2.432 1.742 ( -0.842 -12.008 -0.296) 12.042 1.772 ( 2.508 1.541 0.621) 3.009 1.800 ( 2.128 1.929 3.765) 4.735 1.866 ( 3.958 -6.067 0.709) 7.278 1.913 ( -3.596 -6.694 6.240) 9.832 1.965 ( -0.466 -0.257 2.820) 2.870 2.004 ( 1.766 -4.333 1.157) 4.820 2.077 ( -1.869 1.664 -5.874) 6.385 2.120 ( 0.935 3.654 0.961) 3.893 2.179 ( -2.021 -3.779 -0.915) 4.382 2.204 ( -1.855 0.516 -1.552) 2.473 2.254 ( -2.288 -0.308 -0.854) 2.462 2.278 ( 2.966 1.751 -0.671) 3.509 2.353 ( 1.109 -0.980 1.490) 2.100 2.367 ( -0.855 -3.433 1.840) 3.987 2.383 ( 1.549 1.316 -0.047) 2.034 2.420 ( -0.502 -0.433 2.368) 2.459 2.467 ( 0.155 0.508 4.883) 4.912 2.525 ( 2.565 -3.600 3.902) 5.896 2.607 ( 0.353 1.028 -0.381) 1.151 2.639 ( -1.078 5.144 -1.163) 5.383 2.670 ( 0.153 -1.787 -0.024) 1.794 2.719 ( -1.526 -0.402 -1.685) 2.309 2.755 ( -0.830 -0.354 0.485) 1.024 2.775 ( -1.512 1.693 0.723) 2.383 2.818 ( 0.386 -4.152 -0.380) 4.187 2.836 ( -1.592 -2.319 -2.112) 3.518 2.901 ( 0.193 3.440 1.741) 3.860 2.922 ( 1.605 -0.278 -2.542) 3.019 2.954 ( 0.507 1.880 2.510) 3.176 3.004 ( 1.780 0.865 0.019) 1.979 3.058 ( -2.472 3.245 -0.744) 4.147 3.120 ( -0.619 -0.399 -2.232) 2.351 3.184 ( 1.131 2.203 -3.848) 4.576 3.240 ( -0.148 3.482 -1.205) 3.688 3.254 ( -2.378 -2.194 -3.620) 4.855 3.296 ( 0.593 -1.024 1.525) 1.930 3.307 ( 1.024 3.440 0.700) 3.656 3.424 ( 0.107 -4.970 -0.313) 4.981 3.461 ( -0.671 4.715 -3.130) 5.699 3.500 ( -1.423 0.634 -3.387) 3.728 3.534 ( -0.171 1.790 -1.469) 2.321 3.589 ( -1.045 -3.721 -3.901) 5.492 3.648 ( 1.346 2.411 -2.281) 3.581 3.700 ( 3.336 -1.996 -1.532) 4.179 3.777 ( 1.929 3.127 -1.275) 3.889 3.840 ( 0.826 -0.960 -0.115) 1.271 3.904 ( 0.352 -1.043 3.442) 3.614 3.957 ( 1.122 -4.187 4.802) 6.469 4.021 ( -0.050 3.326 1.607) 3.694 4.062 ( 0.056 -0.032 1.039) 1.041 4.074 ( -1.208 -1.698 -0.585) 2.165 4.096 ( -0.028 -1.741 0.530) 1.820 4.207 ( 0.922 4.372 -2.129) 4.949 4.297 ( 1.285 -3.501 -5.185) 6.388 4.342 ( -0.261 4.727 -2.172) 5.209 4.404 ( -0.584 0.490 -0.084) 0.767 4.466 ( -0.074 -1.304 2.657) 2.960 4.522 ( -2.807 -4.079 0.266) 4.958 4.626 ( -1.449 2.739 2.667) 4.088 4.661 ( -1.859 1.954 3.233) 4.211 4.710 ( -0.400 -3.403 3.627) 4.990 4.727 ( -0.872 -2.481 0.448) 2.667 4.839 ( 0.833 1.517 0.599) 1.831 4.884 ( 1.447 -1.327 0.483) 2.022 5.036 ( 0.452 1.594 1.729) 2.395 5.085 ( 1.296 -3.072 3.461) 4.805 5.173 ( -0.257 3.610 -2.068) 4.169 5.182 ( 0.517 1.529 -2.108) 2.655 5.241 ( -1.833 0.895 -5.103) 5.496 5.277 ( -1.456 -0.450 -4.021) 4.300 5.363 ( -0.367 -1.235 0.316) 1.327 5.393 ( 1.182 -3.389 4.135) 5.475 5.438 ( 0.854 2.884 3.234) 4.417 5.492 ( 1.125 0.357 0.493) 1.279 5.499 ( 1.894 -1.845 3.803) 4.632 5.535 ( -0.231 -1.406 0.913) 1.693 5.600 ( 0.226 -0.332 -0.192) 0.445 5.611 ( 0.440 -0.934 1.230) 1.606 5.642 ( -0.862 -0.560 2.095) 2.333 5.688 ( -0.269 -1.939 0.826) 2.125 5.753 ( -0.501 1.321 -1.005) 1.734 5.774 ( -0.984 -0.652 0.558) 1.306 5.979 ( 1.854 1.417 -0.469) 2.380 6.012 ( 2.816 0.209 0.380) 2.849 6.061 ( 1.649 -1.723 1.322) 2.727 6.088 ( 0.064 -5.819 -1.065) 5.916 6.123 ( -0.335 0.786 -0.420) 0.952 6.155 ( 0.376 -1.926 -0.423) 2.007 6.240 ( -3.904 2.241 -3.598) 5.763 6.282 ( -3.877 -1.314 -2.929) 5.033 6.427 ( 3.714 5.252 0.474) 6.451 6.526 ( 2.432 -2.597 0.779) 3.642 6.582 ( -0.431 0.217 -1.357) 1.440 6.609 ( -0.010 0.121 -2.927) 2.929 6.942 ( 0.387 11.004 7.021) 13.059 7.184 ( -0.937 -8.842 0.551) 8.908 7.371 ( -0.181 0.573 1.478) 1.596 7.382 ( 0.054 1.865 1.770) 2.572 7.424 ( -0.264 -1.026 2.401) 2.624 7.469 ( 0.355 -2.175 1.961) 2.950 7.655 ( -1.557 6.820 -6.916) 9.837 7.734 ( -0.945 -1.760 -4.611) 5.025 ======================= Grid point 29 (17/36) ======================= q-point: ( 0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 3.919 9.963 7.905) 13.308 0.654 ( 11.727 10.135 7.713) 17.313 0.741 ( -4.018 -7.120 7.433) 11.049 0.878 ( 4.359 -6.852 1.111) 8.197 1.008 ( -6.571 0.101 4.669) 8.061 1.069 ( -5.271 -5.615 -0.085) 7.702 1.101 ( 1.304 5.173 2.545) 5.911 1.222 ( -2.796 -2.416 -6.009) 7.055 1.325 ( 10.525 9.368 4.937) 14.930 1.394 ( 1.787 0.266 -8.647) 8.834 1.453 ( 6.006 5.297 -6.645) 10.406 1.455 ( 1.271 1.202 -3.220) 3.664 1.490 ( 4.323 3.021 -6.767) 8.580 1.572 ( 0.695 1.294 -1.598) 2.171 1.606 ( -4.714 6.977 -0.402) 8.430 1.660 ( 5.412 -4.468 -3.094) 7.669 1.712 ( -0.010 -1.990 -3.558) 4.076 1.723 ( -3.426 1.940 -2.684) 4.765 1.796 ( -0.548 2.461 1.564) 2.967 1.834 ( -0.541 -1.819 3.408) 3.901 1.862 ( 1.626 -9.630 0.865) 9.805 1.904 ( -2.052 -7.870 0.585) 8.154 1.982 ( 1.716 0.853 2.528) 3.172 2.024 ( -1.975 1.730 -1.292) 2.926 2.075 ( 1.607 -3.913 4.067) 5.868 2.110 ( -4.200 -1.944 -0.590) 4.665 2.134 ( 0.038 -2.297 1.828) 2.936 2.154 ( -1.088 -1.715 2.753) 3.421 2.197 ( -1.466 2.676 3.231) 4.444 2.306 ( -3.262 -4.890 0.044) 5.878 2.352 ( 0.009 2.755 0.879) 2.892 2.387 ( 3.039 -0.427 1.648) 3.484 2.400 ( -0.514 0.456 1.059) 1.262 2.445 ( 2.101 -1.120 1.291) 2.709 2.487 ( 1.510 -0.666 1.644) 2.329 2.570 ( 1.347 -5.412 0.978) 5.663 2.618 ( 1.489 4.275 -1.287) 4.707 2.679 ( 2.838 5.023 2.291) 6.207 2.689 ( 1.264 -2.098 -1.312) 2.778 2.737 ( 1.355 -0.332 -1.837) 2.306 2.788 ( 3.647 3.788 -2.933) 6.021 2.805 ( 4.577 0.346 1.174) 4.738 2.840 ( 1.851 -2.744 -3.388) 4.737 2.882 ( 2.603 -2.047 0.309) 3.326 2.929 ( 2.882 0.483 2.119) 3.610 2.972 ( 3.110 -0.893 1.494) 3.564 2.992 ( 0.069 3.220 1.145) 3.418 3.027 ( 5.009 3.155 -3.112) 6.688 3.079 ( 2.456 -1.636 -0.962) 3.104 3.103 ( 0.571 -1.798 -1.151) 2.210 3.170 ( -2.748 0.550 -4.365) 5.187 3.186 ( -0.136 -0.403 -2.030) 2.074 3.267 ( 2.141 4.760 0.158) 5.222 3.319 ( 1.620 -0.447 0.623) 1.793 3.376 ( 4.668 2.404 1.450) 5.448 3.434 ( 1.294 -0.195 1.140) 1.735 3.476 ( 1.361 2.035 -2.292) 3.354 3.557 ( 5.983 -1.465 -2.732) 6.738 3.580 ( 5.776 0.490 -0.021) 5.797 3.606 ( 2.260 -3.068 -4.518) 5.910 3.688 ( 4.291 2.976 -1.577) 5.455 3.754 ( 2.551 -1.816 -2.419) 3.957 3.828 ( 2.751 2.631 -1.598) 4.128 3.862 ( 1.178 0.624 -0.270) 1.360 3.953 ( 4.032 -0.768 2.876) 5.012 3.982 ( 2.229 -2.701 5.858) 6.825 4.063 ( 3.828 2.294 1.427) 4.685 4.115 ( 4.454 -2.005 0.204) 4.888 4.137 ( 4.918 0.246 -1.298) 5.092 4.181 ( 3.673 -3.155 -1.408) 5.043 4.280 ( 5.478 3.673 -0.941) 6.662 4.344 ( 2.888 -1.853 -3.096) 4.622 4.373 ( 2.321 1.329 -2.770) 3.851 4.427 ( 3.485 -0.540 -1.978) 4.043 4.464 ( 0.463 -1.406 5.074) 5.286 4.481 ( -0.167 -1.659 1.836) 2.480 4.617 ( -1.063 2.264 0.835) 2.637 4.647 ( 1.762 -0.004 0.074) 1.764 4.725 ( 0.638 -2.032 0.869) 2.300 4.740 ( 2.638 -3.754 3.517) 5.781 4.876 ( 2.198 3.094 -1.197) 3.979 4.941 ( 3.293 -1.628 0.195) 3.679 5.023 ( -1.098 1.185 1.534) 2.228 5.074 ( -1.554 -3.253 1.845) 4.050 5.156 ( -1.529 3.819 -2.157) 4.645 5.198 ( 0.301 -0.367 1.050) 1.153 5.219 ( -0.326 0.919 -2.433) 2.622 5.241 ( -1.916 -0.138 -5.064) 5.416 5.342 ( -0.951 1.927 -1.427) 2.579 5.407 ( -0.590 -2.861 0.972) 3.078 5.435 ( -0.468 0.649 3.538) 3.628 5.461 ( -3.338 0.530 3.069) 4.565 5.502 ( -0.368 0.364 0.810) 0.961 5.527 ( -0.826 -0.928 -0.111) 1.247 5.593 ( -1.680 1.959 0.270) 2.595 5.611 ( 0.102 1.934 1.609) 2.518 5.642 ( 0.702 -4.166 1.893) 4.630 5.676 ( -1.485 -2.512 1.767) 3.411 5.732 ( -1.334 1.042 -0.246) 1.711 5.756 ( -0.156 -0.792 -1.316) 1.544 5.967 ( -2.534 2.612 -0.419) 3.663 6.006 ( -4.618 -0.716 0.841) 4.748 6.042 ( -1.293 0.189 0.725) 1.495 6.112 ( 0.059 -3.077 -1.046) 3.251 6.123 ( -1.070 -1.721 -0.247) 2.042 6.144 ( -0.267 -2.356 0.453) 2.413 6.223 ( -1.180 0.200 -3.109) 3.331 6.246 ( 3.810 -1.397 -2.032) 4.538 6.504 ( -0.658 0.954 0.255) 1.186 6.535 ( -1.764 -2.986 -1.003) 3.610 6.557 ( -2.152 4.307 -2.608) 5.476 6.613 ( 3.687 -1.664 0.537) 4.081 6.908 ( -3.121 9.057 6.385) 11.513 7.099 ( -6.644 -5.958 -0.808) 8.961 7.326 ( -4.528 1.417 2.494) 5.360 7.356 ( -3.426 -0.001 1.892) 3.913 7.394 ( -2.484 1.058 2.690) 3.811 7.443 ( -4.661 -1.014 2.416) 5.347 7.502 ( -5.925 6.954 -4.308) 10.101 7.603 ( -8.553 -1.857 -3.632) 9.476 ======================= Grid point 30 (18/36) ======================= q-point: ( 0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -8.761 5.231 5.557) 11.619 0.660 ( 6.755 0.207 -1.631) 6.952 0.802 ( -10.014 -2.800 2.570) 10.711 0.829 ( -8.341 -3.730 2.410) 9.450 0.964 ( 13.878 6.785 4.707) 16.149 1.058 ( 6.349 1.058 -5.022) 8.164 1.174 ( 4.052 -4.681 -4.915) 7.905 1.220 ( 4.341 -5.512 -3.526) 7.852 1.389 ( -1.290 1.963 -5.890) 6.341 1.428 ( -2.567 -0.119 -1.458) 2.954 1.468 ( -1.570 3.065 -2.768) 4.418 1.533 ( -0.842 0.778 -5.287) 5.409 1.579 ( -3.271 2.441 -5.950) 7.215 1.595 ( 0.881 1.679 -5.324) 5.651 1.600 ( 0.440 3.917 0.175) 3.945 1.645 ( 0.171 -0.671 0.346) 0.774 1.681 ( 6.451 8.280 4.622) 11.469 1.738 ( -4.498 -1.281 2.858) 5.481 1.800 ( 0.206 -1.772 -0.189) 1.794 1.851 ( 2.822 5.404 3.213) 6.891 1.869 ( -4.359 -0.480 -0.471) 4.411 1.886 ( 4.175 -0.936 -0.736) 4.342 1.947 ( 0.944 -6.748 2.768) 7.354 2.011 ( -2.770 -0.400 0.242) 2.809 2.036 ( -1.052 1.150 3.984) 4.277 2.077 ( -2.207 1.490 2.916) 3.949 2.097 ( -3.804 -0.500 1.954) 4.306 2.147 ( 0.025 -3.612 3.474) 5.011 2.206 ( 2.845 -4.820 3.985) 6.870 2.277 ( 2.897 -4.683 2.238) 5.944 2.362 ( -1.135 1.120 1.928) 2.502 2.392 ( 0.653 2.082 -0.136) 2.187 2.420 ( 0.990 -2.180 3.959) 4.627 2.475 ( 0.972 -6.275 0.526) 6.371 2.504 ( -0.906 0.060 -0.680) 1.134 2.576 ( -0.239 -5.435 -0.887) 5.512 2.621 ( -1.682 5.379 -0.488) 5.657 2.681 ( -0.522 -0.425 -1.403) 1.556 2.745 ( 1.950 2.585 -1.886) 3.748 2.808 ( 4.827 2.213 0.196) 5.314 2.834 ( 0.199 -0.347 0.238) 0.465 2.852 ( 0.684 1.214 -0.314) 1.428 2.918 ( 4.872 0.312 -3.218) 5.847 2.948 ( 3.026 -0.510 0.946) 3.211 3.004 ( 3.956 -0.067 0.565) 3.996 3.033 ( 3.779 0.990 1.958) 4.370 3.050 ( 0.825 -0.302 -1.414) 1.664 3.076 ( 3.392 -2.415 -0.751) 4.231 3.135 ( 3.114 0.699 -1.949) 3.739 3.154 ( 1.500 -0.105 -1.660) 2.240 3.197 ( 3.150 1.806 0.286) 3.642 3.232 ( 5.250 -0.998 -1.923) 5.680 3.293 ( 0.011 3.768 0.584) 3.813 3.351 ( 0.829 -0.395 -1.395) 1.670 3.454 ( 1.874 2.861 -2.546) 4.264 3.474 ( 2.889 0.518 0.405) 2.963 3.541 ( 4.364 0.846 0.622) 4.489 3.633 ( 1.127 -3.294 -4.308) 5.538 3.686 ( 5.628 0.211 -0.066) 5.633 3.725 ( 5.417 -2.244 0.517) 5.886 3.831 ( 7.327 0.502 -1.265) 7.452 3.846 ( 4.468 0.060 -1.036) 4.587 3.906 ( 5.677 2.274 -0.751) 6.162 3.921 ( 5.970 1.250 -0.443) 6.116 4.030 ( 3.482 -2.315 1.358) 4.397 4.051 ( 3.206 -2.422 4.538) 6.062 4.151 ( 3.960 3.488 3.232) 6.189 4.227 ( 3.722 -1.429 0.753) 4.057 4.233 ( 4.781 -0.328 -0.735) 4.849 4.261 ( 5.256 -1.338 -1.466) 5.618 4.384 ( 2.417 1.833 1.287) 3.295 4.398 ( 3.730 1.464 0.246) 4.015 4.429 ( 2.055 -1.576 1.529) 3.007 4.447 ( 4.605 -2.248 2.030) 5.512 4.515 ( 2.964 3.305 1.098) 4.573 4.591 ( 4.879 -2.481 -1.470) 5.668 4.599 ( 1.005 3.480 -1.288) 3.844 4.691 ( 1.998 -4.650 -1.126) 5.185 4.764 ( 3.708 0.270 1.120) 3.883 4.814 ( 4.088 -3.860 2.912) 6.332 4.897 ( -0.695 3.069 -2.731) 4.166 4.946 ( -3.415 -0.693 -1.409) 3.759 5.010 ( -0.498 1.192 0.798) 1.519 5.076 ( -1.394 -3.504 1.456) 4.043 5.114 ( 0.530 2.176 -1.209) 2.545 5.160 ( -2.553 -1.506 -1.585) 3.361 5.233 ( 1.257 2.123 -1.726) 3.011 5.239 ( 3.156 1.839 0.508) 3.687 5.319 ( -2.039 0.637 -0.342) 2.163 5.347 ( -3.602 -1.460 -1.363) 4.119 5.426 ( 1.363 0.735 -2.206) 2.695 5.453 ( 0.881 -0.737 0.100) 1.153 5.484 ( -1.396 2.118 -0.665) 2.622 5.510 ( -0.196 -0.651 1.719) 1.849 5.560 ( -0.920 2.710 0.116) 2.865 5.610 ( -1.631 1.836 1.855) 3.078 5.624 ( -1.330 -2.983 2.462) 4.090 5.654 ( -0.496 -2.051 2.948) 3.625 5.708 ( -1.039 1.950 -0.970) 2.413 5.757 ( -0.205 -0.864 -3.156) 3.279 5.861 ( -9.083 0.523 2.370) 9.402 5.888 ( -5.655 -0.993 0.232) 5.746 5.984 ( -3.221 3.050 1.099) 4.570 6.069 ( -2.970 -3.413 -1.893) 4.905 6.108 ( 0.328 0.843 -3.053) 3.184 6.169 ( 1.523 -4.928 0.928) 5.241 6.192 ( -2.423 5.380 -2.939) 6.592 6.315 ( 1.330 -4.877 -2.261) 5.537 6.422 ( -4.497 0.697 1.407) 4.763 6.458 ( -2.994 -0.275 0.758) 3.101 6.517 ( -3.612 3.573 0.801) 5.143 6.667 ( -0.980 -6.174 2.026) 6.571 6.863 ( -0.783 5.842 4.322) 7.309 6.970 ( -4.060 -3.516 -0.847) 5.437 7.160 ( -8.538 5.101 1.099) 10.007 7.254 ( -5.133 -3.738 1.898) 6.628 7.350 ( -1.731 1.688 0.392) 2.450 7.360 ( -2.402 0.725 -0.187) 2.516 7.448 ( -4.224 0.428 -2.129) 4.749 7.454 ( -2.296 -0.096 -1.493) 2.741 ======================= Grid point 31 (19/36) ======================= q-point: ( 0.43 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -2.315 5.928 1.007) 6.444 0.573 ( -9.078 -4.320 1.289) 10.135 0.703 ( -1.562 5.438 -3.509) 6.658 0.837 ( 7.605 -6.447 -8.360) 13.011 1.182 ( 3.971 0.140 -6.251) 7.407 1.205 ( 0.234 -0.962 -5.194) 5.288 1.252 ( 7.978 5.495 1.778) 9.849 1.304 ( -1.413 0.587 -3.027) 3.391 1.340 ( 3.310 -1.645 -4.018) 5.460 1.377 ( -5.229 0.288 -0.807) 5.299 1.440 ( 3.668 -1.105 -3.491) 5.183 1.482 ( -1.477 -1.343 -1.001) 2.233 1.531 ( -1.659 1.501 -0.427) 2.278 1.578 ( -3.455 0.866 0.269) 3.572 1.600 ( 3.411 -3.753 2.349) 5.590 1.632 ( -2.359 -0.435 0.330) 2.422 1.646 ( -3.038 2.183 0.927) 3.854 1.701 ( -6.207 -2.308 1.342) 6.757 1.764 ( 1.902 3.598 1.922) 4.500 1.796 ( -2.586 4.799 1.777) 5.734 1.866 ( -2.921 -1.613 2.093) 3.939 1.914 ( -2.814 -0.343 0.372) 2.859 1.922 ( -2.049 8.357 2.824) 9.056 2.004 ( 2.508 2.256 2.933) 4.470 2.031 ( 2.264 -2.205 0.008) 3.161 2.090 ( 3.777 2.653 0.188) 4.620 2.148 ( 2.364 -7.901 0.192) 8.250 2.175 ( -0.771 -1.100 4.920) 5.100 2.261 ( 1.063 -1.689 0.171) 2.003 2.285 ( -1.044 -2.047 -2.258) 3.221 2.320 ( 0.193 2.958 5.481) 6.231 2.398 ( -0.588 2.644 3.340) 4.300 2.459 ( -2.388 -3.098 1.171) 4.083 2.488 ( 2.695 -1.706 2.030) 3.781 2.505 ( 1.591 -2.216 0.709) 2.819 2.534 ( -2.434 -6.080 -3.088) 7.240 2.637 ( 3.974 -1.425 1.008) 4.340 2.670 ( 0.711 -1.456 -0.879) 1.844 2.795 ( 2.232 4.460 0.780) 5.049 2.844 ( 1.030 2.500 1.513) 3.099 2.866 ( 1.733 0.358 1.511) 2.327 2.887 ( 0.741 -3.390 -0.442) 3.498 2.944 ( -1.374 -1.027 0.640) 1.831 2.955 ( -1.151 -0.405 -0.414) 1.289 3.061 ( 0.006 3.533 0.495) 3.568 3.089 ( 1.638 1.503 -1.793) 2.856 3.102 ( 1.381 0.946 1.710) 2.393 3.115 ( 1.597 -0.990 -2.161) 2.864 3.171 ( 0.721 0.719 -2.117) 2.349 3.196 ( 2.154 -1.394 -2.724) 3.742 3.261 ( 0.754 3.320 -1.479) 3.712 3.281 ( 1.047 1.017 0.476) 1.535 3.321 ( 0.604 -0.641 -0.825) 1.207 3.348 ( -0.067 -3.212 -2.537) 4.093 3.479 ( 1.216 6.014 -4.296) 7.490 3.537 ( 3.113 0.539 -0.261) 3.170 3.612 ( 1.914 -2.615 2.141) 3.884 3.641 ( -0.431 -4.067 -3.581) 5.436 3.762 ( 0.470 1.182 -0.633) 1.421 3.791 ( 1.678 -0.479 -0.236) 1.761 3.878 ( 0.015 3.566 2.725) 4.488 3.942 ( 2.784 -2.363 1.409) 3.914 4.007 ( 2.606 2.872 0.891) 3.979 4.074 ( 2.436 -0.097 0.725) 2.543 4.082 ( 3.840 -3.039 1.077) 5.014 4.113 ( 1.073 -2.153 2.506) 3.474 4.219 ( 2.886 2.054 1.191) 3.737 4.265 ( 0.437 0.788 -0.442) 1.003 4.314 ( 2.158 -0.238 -0.194) 2.180 4.365 ( 2.734 -2.395 0.873) 3.738 4.420 ( 2.005 1.798 0.969) 2.863 4.467 ( 2.078 -2.383 1.832) 3.654 4.508 ( 0.305 1.511 0.940) 1.806 4.533 ( 1.452 0.530 -0.496) 1.624 4.565 ( 3.971 1.207 -0.837) 4.234 4.607 ( 2.938 -0.231 -3.120) 4.292 4.690 ( 3.724 0.201 -0.018) 3.729 4.735 ( 1.976 -3.542 -0.241) 4.063 4.826 ( -2.055 -0.196 1.205) 2.390 4.841 ( -3.782 -1.575 2.724) 4.920 4.879 ( -0.019 1.633 2.996) 3.412 4.902 ( 1.226 -0.936 1.944) 2.481 4.985 ( 0.883 2.486 0.424) 2.672 5.036 ( 1.897 -1.309 -0.426) 2.344 5.153 ( -2.803 2.564 -2.102) 4.342 5.195 ( 4.798 -0.149 0.032) 4.801 5.206 ( 3.803 -0.021 -2.504) 4.554 5.240 ( -1.761 -2.920 -2.529) 4.245 5.356 ( 3.713 0.311 -1.495) 4.015 5.391 ( 4.742 -1.552 0.107) 4.991 5.423 ( -3.926 1.771 -2.198) 4.835 5.457 ( -0.621 -0.317 -3.765) 3.829 5.479 ( 0.398 1.686 -0.358) 1.769 5.511 ( -0.479 -0.925 -0.194) 1.060 5.540 ( -2.418 3.435 -0.556) 4.237 5.575 ( -4.297 1.255 3.104) 5.447 5.594 ( 2.288 -0.168 1.461) 2.719 5.623 ( -6.494 -2.265 3.068) 7.531 5.667 ( -3.485 0.557 -0.978) 3.663 5.690 ( -0.403 4.053 0.975) 4.188 5.719 ( -3.990 -2.389 -2.956) 5.511 5.759 ( -2.515 -0.522 0.681) 2.657 5.974 ( 2.443 1.238 -0.304) 2.755 5.999 ( -3.691 -0.274 -1.839) 4.133 6.108 ( -3.193 6.290 -2.904) 7.628 6.129 ( 2.314 4.324 -2.598) 5.550 6.237 ( 3.334 -2.702 -0.252) 4.299 6.279 ( -4.479 -6.325 0.297) 7.756 6.333 ( -2.465 3.256 1.191) 4.254 6.428 ( -0.682 1.015 -1.411) 1.867 6.486 ( 0.982 -6.712 4.647) 8.223 6.569 ( -6.302 -8.797 2.421) 11.089 6.865 ( 0.182 4.094 3.777) 5.573 6.907 ( -3.140 0.979 3.116) 4.531 7.069 ( 0.076 3.855 -2.588) 4.644 7.171 ( -2.020 -5.283 -0.575) 5.685 7.321 ( -0.550 1.757 -0.241) 1.857 7.342 ( 0.235 0.091 -0.263) 0.364 7.389 ( -1.077 2.442 -1.476) 3.050 7.423 ( -1.217 -0.754 -0.565) 1.539 ======================= Grid point 32 (20/36) ======================= q-point: (-0.43 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 1.729 -0.077 2.031) 2.668 0.518 ( 7.565 -2.215 -1.147) 7.965 0.725 ( 3.333 8.006 -3.596) 9.388 0.896 ( -3.723 -7.331 -6.742) 10.633 1.100 ( -8.135 3.013 -2.928) 9.156 1.184 ( -3.433 -3.170 -5.573) 7.273 1.289 ( 4.572 3.294 0.912) 5.708 1.333 ( -1.652 1.478 -1.362) 2.602 1.350 ( -4.160 -0.623 -2.342) 4.815 1.390 ( 3.851 -0.031 -2.229) 4.450 1.440 ( -3.071 -4.627 -2.210) 5.977 1.458 ( 4.070 -2.006 -5.313) 6.987 1.531 ( -3.884 0.851 -0.053) 3.977 1.561 ( -1.922 -0.471 2.042) 2.843 1.609 ( 5.044 4.998 1.020) 7.174 1.637 ( 2.717 3.925 -1.286) 4.944 1.676 ( 2.345 0.475 -0.076) 2.393 1.711 ( 0.886 -0.756 1.437) 1.850 1.725 ( 3.060 1.377 0.522) 3.396 1.809 ( -1.011 3.350 3.339) 4.836 1.823 ( 5.865 -0.821 3.202) 6.732 1.919 ( -1.077 3.260 0.074) 3.434 1.926 ( 4.363 5.945 1.267) 7.483 2.026 ( -2.919 -0.071 7.447) 7.999 2.044 ( -7.844 -6.249 -5.028) 11.219 2.054 ( 1.078 -0.886 0.238) 1.416 2.112 ( -0.598 -1.652 3.081) 3.547 2.165 ( -3.768 -5.994 1.599) 7.258 2.252 ( 4.284 2.531 -0.178) 4.978 2.306 ( -2.578 1.409 -1.850) 3.472 2.330 ( -6.914 0.359 3.353) 7.692 2.363 ( 0.919 -0.694 4.233) 4.387 2.396 ( 0.437 -1.073 2.462) 2.721 2.463 ( -2.567 -6.592 0.535) 7.094 2.536 ( 2.361 0.247 2.131) 3.190 2.592 ( 2.949 -5.179 -0.700) 6.000 2.719 ( 2.838 0.775 0.976) 3.099 2.741 ( 4.142 -1.101 0.343) 4.299 2.823 ( 0.055 2.297 3.565) 4.242 2.853 ( -0.162 -0.253 -0.261) 0.398 2.876 ( -1.720 0.335 -0.256) 1.771 2.887 ( 0.455 0.960 1.149) 1.565 2.915 ( 0.278 -1.411 1.712) 2.236 2.946 ( 0.153 -2.389 -1.765) 2.974 3.019 ( -3.290 3.733 -0.868) 5.052 3.065 ( -2.490 0.842 1.842) 3.210 3.100 ( -2.899 2.961 -1.529) 4.417 3.130 ( -0.160 1.103 -1.178) 1.622 3.147 ( -3.446 1.589 -3.292) 5.023 3.217 ( -0.635 -0.546 -1.853) 2.033 3.254 ( -0.525 0.297 -2.613) 2.682 3.286 ( -2.245 0.337 0.152) 2.275 3.295 ( -0.248 0.045 -1.014) 1.045 3.348 ( -0.021 -3.038 -2.822) 4.147 3.491 ( -0.696 5.660 -3.649) 6.770 3.584 ( -0.300 0.893 2.233) 2.424 3.608 ( -1.785 -4.229 -3.990) 6.082 3.622 ( -1.157 -2.410 -0.360) 2.698 3.733 ( -2.893 1.969 0.641) 3.558 3.782 ( -2.267 -1.774 -1.164) 3.105 3.856 ( -2.180 3.775 3.998) 5.915 3.938 ( -2.594 -3.512 3.053) 5.328 4.007 ( -3.765 3.332 -1.781) 5.334 4.056 ( -4.488 -1.689 0.697) 4.846 4.095 ( -2.835 -0.229 0.767) 2.946 4.107 ( -0.335 -1.585 2.038) 2.603 4.214 ( -4.107 1.547 0.473) 4.414 4.251 ( -1.475 -2.585 -0.139) 2.979 4.315 ( -1.998 1.960 0.384) 2.825 4.355 ( -3.029 -0.386 1.003) 3.214 4.405 ( -3.790 2.022 -2.336) 4.890 4.445 ( -3.589 -1.475 0.283) 3.891 4.462 ( -4.087 -0.904 -0.970) 4.297 4.472 ( -2.147 -0.997 1.219) 2.663 4.656 ( 0.944 3.045 -0.661) 3.256 4.684 ( -6.468 1.531 1.498) 6.814 4.743 ( 5.293 -1.745 -2.125) 5.965 4.763 ( 0.498 -3.073 -0.204) 3.119 4.771 ( 3.025 0.558 2.230) 3.799 4.816 ( 2.731 -3.430 3.944) 5.897 4.899 ( 1.108 1.349 2.840) 3.334 4.932 ( 0.122 -1.344 2.551) 2.886 5.022 ( 2.945 1.740 1.849) 3.888 5.044 ( 0.233 -0.280 -0.440) 0.572 5.183 ( 2.610 2.207 -0.314) 3.433 5.213 ( -0.806 -0.082 0.617) 1.018 5.272 ( -6.294 2.924 -3.983) 8.002 5.274 ( -3.525 -0.167 -0.085) 3.530 5.309 ( -6.072 -1.101 -4.545) 7.664 5.342 ( -2.023 -1.643 0.766) 2.717 5.347 ( -1.913 0.489 -1.663) 2.582 5.408 ( 0.417 -3.740 -4.419) 5.804 5.479 ( 0.323 0.461 0.138) 0.579 5.497 ( 0.861 -1.036 -0.207) 1.363 5.506 ( 1.798 1.396 -0.560) 2.344 5.535 ( 2.856 -1.827 0.572) 3.438 5.562 ( -0.264 4.900 -1.360) 5.092 5.607 ( -0.662 3.858 -1.828) 4.320 5.678 ( 1.923 2.081 1.540) 3.225 5.700 ( 2.981 -1.800 1.481) 3.784 5.775 ( 3.757 -0.829 0.981) 3.970 5.796 ( 5.734 -2.043 -0.119) 6.089 5.948 ( -0.386 6.780 0.724) 6.829 6.048 ( 0.470 1.127 -1.037) 1.602 6.079 ( 4.151 -1.404 -4.714) 6.436 6.168 ( -3.745 -6.411 -1.917) 7.668 6.206 ( 3.399 6.455 -0.851) 7.345 6.290 ( 2.521 -0.650 1.416) 2.964 6.358 ( 3.272 3.549 2.116) 5.271 6.432 ( 0.301 -1.933 -0.988) 2.191 6.451 ( -1.003 -6.903 0.168) 6.977 6.540 ( 0.875 -6.509 4.841) 8.159 6.828 ( -2.605 5.915 1.385) 6.610 6.910 ( 3.439 -2.000 3.150) 5.074 7.121 ( 4.441 1.062 -0.050) 4.567 7.172 ( 1.818 -3.510 -0.363) 3.969 7.327 ( 0.810 2.393 -0.441) 2.565 7.355 ( 0.927 0.186 0.699) 1.176 7.398 ( 1.742 1.293 -1.717) 2.766 7.415 ( 1.014 0.015 -1.019) 1.438 ======================= Grid point 33 (21/36) ======================= q-point: (-0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 4.854 5.373 3.542) 8.061 0.701 ( 8.103 -2.270 0.115) 8.416 0.754 ( -6.696 -0.128 2.390) 7.111 0.836 ( 4.088 -3.547 2.929) 6.154 0.884 ( -8.996 5.409 1.231) 10.569 1.074 ( -7.461 -9.291 -1.933) 12.071 1.267 ( -3.518 8.546 1.332) 9.337 1.303 ( 1.559 2.266 -4.957) 5.669 1.342 ( -0.906 -1.459 -6.616) 6.835 1.417 ( 2.160 -2.221 -5.163) 6.021 1.443 ( -0.130 -0.842 -3.825) 3.919 1.473 ( -2.084 -0.499 -0.786) 2.283 1.548 ( 1.193 4.547 0.838) 4.775 1.589 ( 0.339 5.007 -3.246) 5.977 1.641 ( 5.985 -2.614 -3.645) 7.479 1.665 ( 1.528 2.131 -1.079) 2.836 1.719 ( -1.708 4.920 -1.719) 5.484 1.756 ( 0.463 -0.930 1.291) 1.658 1.771 ( 0.188 4.174 0.659) 4.230 1.854 ( -1.094 -0.466 2.193) 2.495 1.868 ( -2.147 -0.241 -1.680) 2.737 1.885 ( -5.329 -7.361 -2.845) 9.523 1.936 ( 5.769 3.185 0.129) 6.591 2.022 ( 0.586 -0.086 3.427) 3.478 2.025 ( 3.239 -1.602 2.485) 4.385 2.066 ( -1.196 -3.491 4.550) 5.858 2.099 ( 4.160 -0.160 4.120) 5.857 2.149 ( 1.950 -3.084 4.111) 5.496 2.175 ( -2.127 1.169 3.950) 4.636 2.247 ( -1.427 -0.174 1.071) 1.793 2.311 ( -1.193 -3.515 0.983) 3.840 2.376 ( 0.464 -0.943 2.922) 3.105 2.392 ( -0.067 0.738 1.291) 1.488 2.458 ( 1.040 -7.120 0.633) 7.223 2.549 ( -2.594 -1.111 1.951) 3.430 2.585 ( -2.799 -4.320 -0.886) 5.223 2.723 ( -1.716 4.088 -0.899) 4.524 2.767 ( -2.809 2.894 1.691) 4.373 2.790 ( -2.489 -1.380 -1.139) 3.066 2.839 ( -3.113 -2.750 -1.113) 4.300 2.861 ( -0.193 2.349 -0.855) 2.507 2.899 ( -0.702 2.392 -2.034) 3.218 2.925 ( 0.596 2.359 0.135) 2.436 2.940 ( -2.808 0.396 -0.489) 2.877 2.955 ( -1.339 -1.961 1.513) 2.815 3.007 ( -3.016 -0.873 0.635) 3.204 3.027 ( -2.467 1.280 -0.803) 2.893 3.040 ( -4.673 2.773 -2.380) 5.932 3.117 ( -0.490 1.351 1.496) 2.075 3.167 ( -2.983 -0.264 -1.989) 3.596 3.222 ( -2.917 1.013 -2.083) 3.724 3.237 ( -1.177 0.728 -0.665) 1.535 3.291 ( -0.402 2.430 -0.327) 2.485 3.369 ( 1.770 -3.848 -1.969) 4.671 3.433 ( -4.786 2.832 -0.874) 5.629 3.483 ( -7.746 -1.607 0.909) 7.963 3.548 ( -3.776 1.361 -1.656) 4.342 3.587 ( -3.571 0.204 -3.877) 5.275 3.647 ( -3.791 1.068 0.772) 4.013 3.724 ( -3.033 -3.615 0.707) 4.771 3.794 ( -5.042 1.914 0.221) 5.398 3.841 ( -9.044 -1.131 -3.031) 9.605 3.867 ( -5.071 -0.256 -0.353) 5.090 3.899 ( -6.367 -2.069 -0.651) 6.726 4.031 ( -4.459 0.248 3.945) 5.958 4.055 ( -4.912 -1.300 0.066) 5.082 4.127 ( -3.147 4.507 1.281) 5.644 4.204 ( -2.259 -2.092 0.793) 3.179 4.244 ( -4.750 1.406 0.403) 4.970 4.274 ( -3.537 -0.406 0.178) 3.564 4.308 ( -5.585 0.915 -1.126) 5.770 4.345 ( -3.452 -1.208 -1.556) 3.975 4.402 ( -2.642 1.019 0.864) 2.960 4.447 ( -0.874 -2.806 1.516) 3.307 4.566 ( -3.843 4.009 0.728) 5.601 4.627 ( -2.228 -0.230 -1.095) 2.493 4.755 ( -3.352 -0.963 1.125) 3.664 4.772 ( -1.308 -3.366 -0.669) 3.673 4.787 ( -1.758 -0.060 4.103) 4.464 4.850 ( -0.019 -5.469 5.896) 8.042 4.923 ( -1.074 1.970 -3.107) 3.832 4.947 ( 1.259 0.493 -1.486) 2.009 5.014 ( -4.723 0.842 1.063) 4.914 5.034 ( -4.679 -0.851 0.588) 4.792 5.133 ( -2.331 1.306 -2.369) 3.571 5.147 ( -0.094 1.028 1.189) 1.575 5.214 ( 4.624 0.677 -2.197) 5.164 5.223 ( 4.355 0.321 0.877) 4.454 5.307 ( 1.894 0.346 -1.117) 2.226 5.340 ( 0.533 -1.887 -2.052) 2.838 5.370 ( -0.595 2.282 -1.464) 2.776 5.417 ( -0.315 -1.723 -3.208) 3.655 5.489 ( 0.333 1.330 0.472) 1.450 5.504 ( 0.786 0.507 -0.465) 1.045 5.538 ( 2.192 1.061 2.093) 3.211 5.588 ( -0.380 -1.000 -0.317) 1.115 5.598 ( 2.822 2.252 -0.468) 3.641 5.637 ( 3.711 -1.284 1.856) 4.343 5.711 ( 1.755 2.931 1.686) 3.810 5.782 ( 2.139 -2.648 -0.146) 3.407 5.838 ( 3.589 2.414 0.170) 4.329 5.910 ( 5.015 -4.239 -0.276) 6.572 5.957 ( 0.480 4.802 0.345) 4.839 6.053 ( 0.326 -0.616 -1.465) 1.622 6.123 ( 0.029 -4.355 -2.878) 5.220 6.161 ( 1.346 -4.135 0.412) 4.368 6.286 ( 4.812 4.293 -1.487) 6.618 6.365 ( 3.207 -1.552 0.863) 3.666 6.405 ( 0.042 4.396 2.637) 5.127 6.469 ( 0.857 -1.022 -4.223) 4.429 6.484 ( 5.169 -0.417 -2.056) 5.579 6.532 ( -0.981 -4.535 4.964) 6.794 6.808 ( 1.365 10.107 1.077) 10.255 7.026 ( 6.572 -9.506 2.141) 11.754 7.238 ( 5.927 0.212 2.629) 6.488 7.247 ( 5.543 -0.469 2.051) 5.929 7.348 ( 1.356 2.330 0.081) 2.697 7.382 ( 1.698 -0.720 0.712) 1.977 7.456 ( 3.412 2.116 -1.823) 4.409 7.476 ( 5.299 0.511 -2.125) 5.732 ======================= Grid point 34 (22/36) ======================= q-point: (-0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -4.422 11.766 7.698) 14.740 0.613 ( -9.797 10.593 6.735) 15.923 0.733 ( 3.877 -1.187 7.198) 8.261 0.851 ( 2.541 -4.477 3.218) 6.071 0.918 ( -2.152 -7.886 0.918) 8.226 0.998 ( 4.119 -9.549 2.065) 10.603 1.137 ( -7.374 11.774 5.183) 14.828 1.319 ( 0.221 -2.156 -3.896) 4.458 1.386 ( 0.113 5.555 -7.042) 8.970 1.424 ( -1.029 1.283 -4.679) 4.960 1.439 ( 1.861 -0.657 -3.349) 3.887 1.462 ( -2.534 1.567 -3.343) 4.478 1.540 ( -3.624 6.220 -7.110) 10.118 1.561 ( -5.104 0.436 -3.100) 5.988 1.593 ( -1.476 3.428 -3.172) 4.898 1.657 ( 4.189 1.116 2.063) 4.800 1.692 ( -0.558 -2.515 -1.473) 2.968 1.713 ( -0.640 3.115 -2.744) 4.200 1.780 ( -1.559 2.345 2.531) 3.787 1.808 ( -2.219 -9.245 -1.083) 9.569 1.882 ( -0.153 -4.540 -2.623) 5.246 1.934 ( -1.094 -4.880 6.316) 8.056 1.943 ( 4.447 -2.709 0.528) 5.233 2.000 ( -2.571 -6.214 5.793) 8.876 2.064 ( 1.773 0.721 0.892) 2.111 2.089 ( 2.118 -2.596 -0.662) 3.415 2.164 ( 4.002 1.682 0.108) 4.343 2.203 ( 3.200 -0.708 0.780) 3.369 2.258 ( 2.713 5.340 4.028) 7.218 2.281 ( -2.447 1.770 -3.307) 4.479 2.332 ( 5.057 -2.969 3.887) 7.035 2.359 ( -1.794 -0.337 -0.690) 1.952 2.392 ( 1.659 -2.324 6.096) 6.731 2.429 ( -2.634 -3.130 2.621) 4.858 2.444 ( -4.476 -0.172 0.849) 4.559 2.543 ( -1.877 -6.787 -0.482) 7.058 2.642 ( -4.601 4.436 0.449) 6.407 2.705 ( -3.050 2.426 -3.557) 5.277 2.728 ( -5.097 -1.154 0.485) 5.248 2.747 ( -1.279 -1.352 0.042) 1.861 2.822 ( -3.909 1.703 -3.399) 5.453 2.838 ( -4.141 0.662 -0.870) 4.283 2.877 ( -2.538 2.102 0.287) 3.308 2.887 ( -1.984 3.881 -1.650) 4.660 2.918 ( -4.926 -1.590 0.012) 5.176 2.951 ( -1.174 0.891 3.197) 3.521 2.971 ( -0.934 -2.764 -2.611) 3.916 2.993 ( -3.358 -1.458 1.432) 3.931 3.093 ( -0.292 2.182 -2.438) 3.285 3.146 ( -1.307 1.855 -5.127) 5.607 3.161 ( -0.989 4.562 -0.252) 4.674 3.258 ( 1.981 -2.260 -0.212) 3.013 3.277 ( -1.457 4.508 0.030) 4.738 3.321 ( -4.686 0.909 1.388) 4.971 3.332 ( -3.609 -1.225 0.536) 3.849 3.404 ( 1.210 -4.377 -0.048) 4.542 3.488 ( -1.368 4.374 -2.516) 5.228 3.523 ( -0.973 4.349 -0.588) 4.495 3.589 ( -3.888 -2.082 -2.783) 5.215 3.643 ( -3.764 -4.179 -1.665) 5.866 3.649 ( -3.203 0.612 -2.491) 4.104 3.690 ( -4.842 -1.724 -2.770) 5.839 3.799 ( -3.431 2.046 0.394) 4.014 3.830 ( -0.178 -0.445 0.028) 0.480 3.937 ( -3.646 -1.143 3.066) 4.899 3.961 ( -2.935 -3.466 1.351) 4.738 4.058 ( -3.225 4.439 1.755) 5.761 4.132 ( -4.105 -2.098 1.297) 4.789 4.165 ( -4.230 0.474 -0.196) 4.261 4.177 ( -5.771 -0.575 0.515) 5.823 4.222 ( -2.221 3.561 -2.524) 4.897 4.298 ( -1.022 -2.571 -4.452) 5.242 4.361 ( -1.348 2.635 -0.271) 2.972 4.423 ( -1.264 -2.167 1.733) 3.049 4.498 ( -2.932 2.561 -0.289) 3.904 4.581 ( -2.498 -3.146 -1.212) 4.196 4.682 ( -3.225 0.546 -0.346) 3.289 4.708 ( -3.887 2.352 5.728) 7.311 4.744 ( -1.483 -4.453 0.758) 4.754 4.777 ( -4.439 -3.778 3.257) 6.677 4.862 ( -3.329 1.551 -1.379) 3.923 4.899 ( -3.116 -0.460 -0.939) 3.287 4.999 ( 2.581 0.269 1.004) 2.782 5.029 ( 2.996 -2.704 2.576) 4.788 5.154 ( 1.859 3.962 -0.883) 4.465 5.180 ( 0.911 2.641 -0.464) 2.832 5.280 ( -0.618 0.032 -6.048) 6.079 5.299 ( 0.337 -1.623 -2.423) 2.936 5.347 ( 1.510 -0.790 0.431) 1.758 5.362 ( 2.838 -1.644 2.296) 4.003 5.385 ( 3.770 0.770 1.324) 4.069 5.409 ( 1.587 -1.284 3.652) 4.184 5.480 ( 0.025 2.778 -0.594) 2.841 5.530 ( 0.718 -0.866 0.328) 1.172 5.588 ( 0.405 -1.073 -0.046) 1.148 5.603 ( 1.940 -1.003 2.000) 2.961 5.634 ( 1.033 2.794 1.143) 3.190 5.689 ( 0.999 -2.320 1.439) 2.907 5.746 ( 1.187 2.074 0.700) 2.490 5.786 ( -0.316 -1.238 0.462) 1.359 5.936 ( 4.272 0.943 -0.314) 4.386 5.945 ( 0.367 0.135 -2.043) 2.080 6.003 ( 3.304 -0.352 0.322) 3.339 6.080 ( 1.653 -5.880 -0.753) 6.154 6.121 ( -0.431 0.793 -0.851) 1.241 6.170 ( -0.403 -1.888 0.703) 2.055 6.321 ( -2.179 1.951 -2.042) 3.567 6.368 ( -3.217 -1.538 -2.231) 4.206 6.394 ( -0.321 5.314 1.722) 5.596 6.483 ( 1.475 -0.840 0.622) 1.807 6.552 ( 3.016 -0.546 -2.053) 3.689 6.577 ( 2.760 -2.248 -2.733) 4.488 6.883 ( 4.447 11.897 5.065) 13.673 7.145 ( 4.208 -10.511 0.752) 11.347 7.340 ( 3.414 1.085 2.871) 4.590 7.353 ( 2.479 1.280 1.536) 3.185 7.401 ( 2.740 -0.838 2.672) 3.918 7.431 ( 3.107 -1.826 1.723) 3.995 7.555 ( 7.310 6.801 -3.933) 10.731 7.626 ( 8.104 -0.449 -2.637) 8.534 ======================= Grid point 42 (23/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 2.997 0.000 16.298) 16.571 0.706 ( -2.098 0.000 18.035) 18.157 0.880 ( -2.843 0.000 -2.510) 3.792 0.984 ( 3.172 0.000 -2.379) 3.965 1.088 ( 4.516 0.000 -0.424) 4.536 1.110 ( -2.746 0.000 -4.480) 5.254 1.119 ( 3.380 0.000 -8.065) 8.744 1.164 ( 0.760 0.000 4.257) 4.324 1.195 ( -6.356 0.000 -7.926) 10.160 1.209 ( -3.497 0.000 -0.285) 3.508 1.331 ( 2.176 0.000 9.682) 9.923 1.426 ( 3.867 0.000 5.772) 6.947 1.437 ( -2.953 0.000 -4.160) 5.101 1.479 ( -2.430 0.000 -5.053) 5.607 1.481 ( -1.179 0.000 2.948) 3.175 1.599 ( 2.928 0.000 -5.046) 5.834 1.618 ( 2.508 0.000 1.084) 2.732 1.712 ( -2.256 0.000 -1.411) 2.661 1.806 ( -4.297 0.000 -0.044) 4.298 1.840 ( 3.949 0.000 -2.201) 4.521 1.896 ( 1.023 0.000 -0.459) 1.121 1.929 ( -2.903 0.000 -4.101) 5.024 2.039 ( 1.353 0.000 2.992) 3.284 2.082 ( -3.066 0.000 -0.370) 3.088 2.120 ( 1.458 0.000 3.325) 3.631 2.154 ( -1.582 0.000 0.506) 1.661 2.181 ( 5.165 0.000 -1.276) 5.320 2.224 ( -0.121 0.000 -3.684) 3.686 2.249 ( -2.019 0.000 -0.998) 2.252 2.286 ( -0.111 0.000 -8.491) 8.492 2.302 ( 1.712 0.000 4.940) 5.228 2.371 ( 1.837 0.000 -2.437) 3.052 2.444 ( -0.989 0.000 -1.859) 2.105 2.453 ( -0.179 0.000 -0.546) 0.574 2.522 ( -5.645 0.000 7.138) 9.100 2.608 ( 1.653 0.000 1.004) 1.934 2.623 ( 0.093 0.000 5.890) 5.891 2.675 ( 2.174 0.000 -0.900) 2.353 2.709 ( 2.327 0.000 2.922) 3.736 2.729 ( 0.294 0.000 0.487) 0.569 2.732 ( -1.041 0.000 4.589) 4.706 2.779 ( -2.919 0.000 1.536) 3.298 2.811 ( 1.293 0.000 -3.379) 3.618 2.854 ( -1.715 0.000 0.951) 1.961 2.863 ( -2.803 0.000 -0.865) 2.933 2.932 ( -1.844 0.000 0.696) 1.971 2.964 ( 7.459 0.000 -2.385) 7.831 2.984 ( -0.544 0.000 -0.112) 0.555 2.993 ( 1.049 0.000 1.124) 1.537 3.037 ( -0.545 0.000 -4.087) 4.123 3.110 ( 1.659 0.000 0.417) 1.711 3.190 ( -1.638 0.000 -4.711) 4.987 3.224 ( -3.818 0.000 2.848) 4.763 3.280 ( 2.560 0.000 -1.818) 3.139 3.370 ( -0.125 0.000 3.699) 3.701 3.392 ( 0.059 0.000 1.506) 1.507 3.427 ( 0.173 0.000 -2.104) 2.111 3.449 ( -0.169 0.000 -3.301) 3.306 3.498 ( 1.626 0.000 1.976) 2.559 3.543 ( -2.375 0.000 -3.682) 4.381 3.585 ( -1.402 0.000 -1.255) 1.881 3.624 ( 2.018 0.000 -5.388) 5.753 3.768 ( 1.903 0.000 3.291) 3.801 3.838 ( -2.477 0.000 -3.001) 3.891 3.990 ( 1.523 0.000 2.208) 2.683 3.994 ( -0.451 0.000 1.614) 1.675 4.079 ( -1.368 0.000 -0.499) 1.456 4.088 ( 0.512 0.000 -1.421) 1.511 4.122 ( 1.074 0.000 1.181) 1.597 4.126 ( 2.309 0.000 3.558) 4.241 4.128 ( 0.504 0.000 0.114) 0.517 4.194 ( -2.062 0.000 -3.279) 3.873 4.292 ( 2.316 0.000 2.413) 3.344 4.376 ( -2.232 0.000 -3.523) 4.171 4.540 ( 1.439 0.000 0.723) 1.610 4.549 ( -1.342 0.000 -1.463) 1.985 4.613 ( -1.892 0.000 1.449) 2.383 4.652 ( 1.141 0.000 -2.969) 3.181 4.771 ( -2.898 0.000 7.657) 8.187 4.886 ( 0.931 0.000 7.315) 7.374 4.887 ( 1.880 0.000 -2.998) 3.539 4.929 ( -1.740 0.000 3.894) 4.265 4.950 ( 1.797 0.000 -3.144) 3.621 5.092 ( -2.152 0.000 -7.507) 7.809 5.131 ( 0.013 0.000 0.368) 0.368 5.150 ( 0.127 0.000 0.463) 0.480 5.171 ( 3.293 0.000 -0.629) 3.352 5.203 ( -2.832 0.000 -3.702) 4.661 5.399 ( -0.624 0.000 2.436) 2.515 5.421 ( 0.669 0.000 0.444) 0.803 5.502 ( 1.396 0.000 0.260) 1.420 5.519 ( -0.672 0.000 -0.983) 1.191 5.525 ( 1.535 0.000 3.314) 3.652 5.570 ( -0.145 0.000 2.084) 2.090 5.576 ( -0.743 0.000 0.115) 0.752 5.632 ( 0.178 0.000 0.357) 0.399 5.687 ( 0.872 0.000 -1.802) 2.002 5.701 ( -1.264 0.000 -1.218) 1.755 5.810 ( -0.926 0.000 2.146) 2.337 5.834 ( 0.608 0.000 -0.260) 0.661 5.962 ( -0.454 0.000 1.036) 1.132 6.003 ( 1.148 0.000 -2.862) 3.084 6.047 ( 0.352 0.000 1.358) 1.403 6.073 ( 0.242 0.000 -1.030) 1.058 6.149 ( 1.484 0.000 -0.395) 1.536 6.169 ( -1.186 0.000 -1.399) 1.835 6.245 ( 0.871 0.000 2.456) 2.606 6.305 ( -0.342 0.000 -3.263) 3.281 6.405 ( -2.980 0.000 0.944) 3.125 6.410 ( 2.737 0.000 0.990) 2.911 6.554 ( 1.040 0.000 1.074) 1.495 6.607 ( 0.116 0.000 -4.267) 4.269 7.011 ( 1.614 0.000 9.695) 9.828 7.181 ( -2.790 0.000 -7.552) 8.051 7.363 ( 0.219 0.000 0.878) 0.905 7.374 ( -0.759 0.000 -0.497) 0.907 7.466 ( -0.739 0.000 1.866) 2.007 7.493 ( 0.767 0.000 -0.912) 1.192 7.571 ( -0.542 0.000 5.375) 5.402 7.670 ( -0.023 0.000 -5.096) 5.096 ======================= Grid point 43 (24/36) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -1.397 0.000 15.387) 15.451 0.778 ( -5.192 0.000 -6.020) 7.950 0.781 ( 7.701 0.000 13.032) 15.137 0.934 ( -4.415 0.000 -2.033) 4.861 1.074 ( -9.665 0.000 3.237) 10.193 1.096 ( -0.682 0.000 -8.799) 8.825 1.150 ( 2.640 0.000 -6.842) 7.334 1.153 ( 2.315 0.000 -0.763) 2.437 1.253 ( 3.237 0.000 0.610) 3.294 1.285 ( 6.456 0.000 0.648) 6.488 1.358 ( 1.660 0.000 5.772) 6.005 1.392 ( -4.395 0.000 -4.384) 6.207 1.458 ( -2.976 0.000 -2.217) 3.711 1.491 ( 8.627 0.000 -7.116) 11.183 1.507 ( 3.860 0.000 2.064) 4.377 1.601 ( 0.169 0.000 -1.929) 1.937 1.675 ( 6.350 0.000 14.453) 15.786 1.715 ( -3.761 0.000 -1.690) 4.123 1.741 ( 1.446 0.000 -0.905) 1.706 1.878 ( -0.801 0.000 -3.118) 3.220 1.905 ( -0.691 0.000 -0.599) 0.915 1.928 ( 3.076 0.000 1.502) 3.423 2.030 ( -0.350 0.000 -3.193) 3.212 2.038 ( -3.017 0.000 0.292) 3.031 2.138 ( -6.605 0.000 -2.328) 7.003 2.141 ( 1.364 0.000 2.479) 2.830 2.213 ( -2.928 0.000 0.663) 3.002 2.222 ( 6.104 0.000 1.987) 6.419 2.247 ( 1.188 0.000 -1.929) 2.265 2.289 ( 0.831 0.000 -0.216) 0.858 2.298 ( -5.544 0.000 -3.320) 6.462 2.417 ( 7.909 0.000 -4.059) 8.890 2.481 ( 3.653 0.000 -1.790) 4.068 2.512 ( 3.771 0.000 3.388) 5.069 2.552 ( 1.434 0.000 -0.902) 1.694 2.590 ( 1.393 0.000 4.881) 5.076 2.643 ( 1.644 0.000 7.548) 7.725 2.665 ( -1.469 0.000 1.804) 2.327 2.680 ( -7.969 0.000 -1.394) 8.090 2.739 ( 0.929 0.000 -1.593) 1.844 2.756 ( 0.628 0.000 -1.462) 1.591 2.796 ( 2.020 0.000 4.912) 5.311 2.822 ( 2.380 0.000 1.712) 2.932 2.847 ( 6.640 0.000 0.073) 6.640 2.902 ( 4.246 0.000 -4.069) 5.881 2.974 ( 3.803 0.000 -0.595) 3.849 2.993 ( 1.449 0.000 1.167) 1.861 3.021 ( 1.127 0.000 -0.661) 1.306 3.021 ( -0.256 0.000 -5.388) 5.394 3.102 ( 3.897 0.000 0.175) 3.901 3.152 ( 2.793 0.000 -0.461) 2.831 3.175 ( 1.426 0.000 -2.210) 2.630 3.216 ( 4.200 0.000 5.276) 6.743 3.348 ( 2.434 0.000 -2.532) 3.512 3.355 ( -1.319 0.000 3.847) 4.067 3.440 ( 1.096 0.000 -0.522) 1.214 3.455 ( 4.768 0.000 0.979) 4.867 3.488 ( 3.078 0.000 -2.304) 3.845 3.559 ( 3.345 0.000 -5.361) 6.319 3.566 ( 7.148 0.000 0.321) 7.156 3.660 ( 8.086 0.000 -0.135) 8.087 3.673 ( 3.249 0.000 -4.354) 5.433 3.801 ( 1.070 0.000 1.766) 2.065 3.820 ( 1.590 0.000 -2.321) 2.814 4.001 ( 1.029 0.000 -0.406) 1.106 4.042 ( 2.732 0.000 3.548) 4.478 4.095 ( 4.398 0.000 -2.673) 5.146 4.143 ( 3.388 0.000 -1.115) 3.567 4.162 ( 3.325 0.000 3.618) 4.914 4.185 ( 3.174 0.000 -1.086) 3.355 4.206 ( 4.990 0.000 0.430) 5.008 4.295 ( 9.734 0.000 -2.050) 9.948 4.361 ( 1.351 0.000 -5.293) 5.463 4.361 ( 4.132 0.000 3.330) 5.306 4.531 ( -0.066 0.000 -0.632) 0.635 4.545 ( -0.904 0.000 2.612) 2.764 4.624 ( 2.951 0.000 -0.489) 2.991 4.691 ( 2.444 0.000 -2.292) 3.351 4.710 ( -3.089 0.000 8.469) 9.015 4.894 ( -1.393 0.000 3.334) 3.614 4.919 ( 1.570 0.000 7.535) 7.697 4.926 ( 1.208 0.000 -3.591) 3.788 4.997 ( 2.941 0.000 -2.875) 4.113 5.039 ( -2.376 0.000 -4.515) 5.103 5.136 ( -1.150 0.000 -2.282) 2.555 5.144 ( 1.613 0.000 0.554) 1.706 5.181 ( 0.713 0.000 -0.340) 0.790 5.238 ( 2.741 0.000 -0.646) 2.816 5.324 ( -5.775 0.000 1.634) 6.002 5.375 ( -4.393 0.000 -1.528) 4.652 5.476 ( -3.249 0.000 -2.386) 4.031 5.484 ( -2.931 0.000 0.799) 3.038 5.500 ( -4.662 0.000 -0.370) 4.677 5.548 ( 0.306 0.000 2.150) 2.171 5.596 ( 1.264 0.000 4.486) 4.661 5.611 ( -1.243 0.000 -2.300) 2.615 5.684 ( -0.153 0.000 -1.442) 1.450 5.722 ( 1.009 0.000 -0.424) 1.094 5.766 ( -3.042 0.000 1.112) 3.238 5.791 ( -3.233 0.000 0.886) 3.352 5.927 ( -2.551 0.000 0.512) 2.602 5.998 ( -1.577 0.000 -1.905) 2.473 6.048 ( -0.084 0.000 1.267) 1.270 6.051 ( -2.066 0.000 -1.220) 2.399 6.132 ( -3.586 0.000 -0.868) 3.690 6.167 ( -0.616 0.000 -1.759) 1.864 6.277 ( 2.175 0.000 2.034) 2.978 6.345 ( 1.170 0.000 -2.516) 2.775 6.370 ( -0.632 0.000 0.841) 1.052 6.503 ( 2.945 0.000 1.305) 3.221 6.572 ( 4.593 0.000 -2.137) 5.066 6.573 ( -2.669 0.000 -4.683) 5.390 6.991 ( -2.852 0.000 10.409) 10.793 7.033 ( -9.920 0.000 -5.363) 11.276 7.349 ( -1.458 0.000 0.505) 1.544 7.349 ( -1.849 0.000 0.990) 2.098 7.414 ( -4.702 0.000 2.679) 5.411 7.478 ( -1.978 0.000 -1.150) 2.288 7.483 ( -6.428 0.000 4.435) 7.810 7.569 ( -8.025 0.000 -3.033) 8.579 ======================= Grid point 44 (25/36) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -3.752 0.000 -0.291) 3.763 0.683 ( -15.298 0.000 9.076) 17.787 0.828 ( 7.754 0.000 -1.942) 7.993 0.856 ( -7.996 0.000 -3.181) 8.605 0.956 ( -11.301 0.000 -5.558) 12.593 1.030 ( 9.578 0.000 7.639) 12.252 1.205 ( 2.148 0.000 -0.996) 2.368 1.213 ( 0.480 0.000 0.379) 0.611 1.278 ( 1.380 0.000 -0.657) 1.529 1.348 ( 1.014 0.000 -1.882) 2.138 1.351 ( 6.446 0.000 -6.961) 9.487 1.402 ( 1.667 0.000 -5.948) 6.177 1.510 ( 5.066 0.000 -2.657) 5.720 1.561 ( -5.821 0.000 0.182) 5.824 1.622 ( -3.869 0.000 0.751) 3.941 1.650 ( 7.552 0.000 5.492) 9.338 1.702 ( 7.334 0.000 -1.408) 7.468 1.746 ( 0.086 0.000 -1.278) 1.281 1.780 ( -0.790 0.000 3.957) 4.036 1.809 ( -3.867 0.000 -2.148) 4.423 1.873 ( -0.518 0.000 -1.969) 2.036 1.957 ( -9.433 0.000 4.681) 10.530 1.986 ( -0.417 0.000 0.127) 0.436 2.019 ( 2.569 0.000 3.389) 4.253 2.082 ( -7.478 0.000 2.108) 7.769 2.085 ( 5.271 0.000 -3.462) 6.306 2.188 ( 0.492 0.000 2.744) 2.788 2.190 ( 0.730 0.000 5.377) 5.427 2.288 ( 3.459 0.000 -2.222) 4.111 2.295 ( -0.868 0.000 -2.060) 2.236 2.363 ( 5.289 0.000 2.625) 5.904 2.469 ( -9.811 0.000 -5.210) 11.108 2.501 ( -1.021 0.000 0.410) 1.100 2.519 ( -0.435 0.000 -0.872) 0.974 2.531 ( -0.909 0.000 3.388) 3.508 2.639 ( 5.740 0.000 -5.326) 7.830 2.668 ( 1.029 0.000 5.712) 5.804 2.671 ( 0.832 0.000 2.374) 2.516 2.723 ( 6.048 0.000 -0.009) 6.048 2.755 ( 2.923 0.000 0.102) 2.925 2.775 ( 2.152 0.000 0.987) 2.368 2.845 ( 3.278 0.000 0.370) 3.299 2.866 ( 0.882 0.000 2.528) 2.677 2.984 ( 2.576 0.000 -1.400) 2.932 2.986 ( -0.335 0.000 0.826) 0.892 3.008 ( 6.148 0.000 -1.469) 6.321 3.050 ( 2.382 0.000 -0.547) 2.444 3.060 ( 3.849 0.000 -2.606) 4.648 3.089 ( 4.015 0.000 -2.585) 4.775 3.166 ( 2.434 0.000 0.485) 2.482 3.189 ( 0.517 0.000 1.420) 1.511 3.229 ( 2.838 0.000 -1.725) 3.321 3.316 ( -0.617 0.000 1.847) 1.947 3.338 ( 3.992 0.000 7.001) 8.059 3.351 ( -1.423 0.000 -4.947) 5.148 3.468 ( 1.976 0.000 -1.277) 2.353 3.574 ( 4.826 0.000 -2.234) 5.318 3.579 ( 4.228 0.000 -2.511) 4.918 3.674 ( 8.448 0.000 1.120) 8.522 3.753 ( 4.993 0.000 -2.230) 5.468 3.766 ( 4.589 0.000 -2.550) 5.250 3.794 ( 7.821 0.000 0.640) 7.847 3.894 ( 5.346 0.000 0.543) 5.374 3.910 ( 8.590 0.000 -0.673) 8.617 4.052 ( 4.309 0.000 -1.329) 4.509 4.106 ( 2.987 0.000 2.440) 3.857 4.168 ( 0.829 0.000 -1.108) 1.383 4.204 ( 4.903 0.000 -3.655) 6.115 4.252 ( 4.051 0.000 2.751) 4.897 4.296 ( 5.734 0.000 0.449) 5.752 4.342 ( 7.006 0.000 0.272) 7.011 4.416 ( 3.268 0.000 -6.868) 7.606 4.430 ( 2.547 0.000 4.767) 5.405 4.482 ( 6.329 0.000 -1.296) 6.460 4.553 ( 1.968 0.000 0.961) 2.190 4.553 ( 1.854 0.000 3.523) 3.981 4.658 ( -0.989 0.000 6.052) 6.133 4.717 ( 5.782 0.000 -0.970) 5.863 4.743 ( 2.459 0.000 -1.330) 2.796 4.872 ( -0.156 0.000 5.302) 5.305 4.915 ( -2.116 0.000 -1.901) 2.845 4.979 ( 4.570 0.000 4.072) 6.121 4.984 ( -2.113 0.000 -2.353) 3.163 5.073 ( 2.896 0.000 0.784) 3.000 5.132 ( -0.002 0.000 -2.795) 2.795 5.178 ( -5.526 0.000 0.432) 5.543 5.190 ( -0.373 0.000 2.421) 2.449 5.223 ( 4.462 0.000 0.346) 4.476 5.268 ( -4.881 0.000 -4.955) 6.955 5.294 ( 2.405 0.000 -2.703) 3.618 5.382 ( -3.962 0.000 -1.523) 4.244 5.404 ( -3.413 0.000 -1.032) 3.565 5.449 ( -0.170 0.000 0.098) 0.196 5.544 ( 0.049 0.000 -0.239) 0.244 5.585 ( -2.102 0.000 -0.316) 2.125 5.592 ( -2.198 0.000 1.434) 2.624 5.673 ( -4.615 0.000 -1.671) 4.908 5.693 ( 0.593 0.000 1.077) 1.229 5.719 ( -2.794 0.000 -0.226) 2.803 5.732 ( -2.091 0.000 0.713) 2.209 5.872 ( -1.926 0.000 -2.107) 2.855 5.925 ( -5.820 0.000 3.142) 6.614 5.976 ( -5.859 0.000 -0.028) 5.859 6.042 ( -0.990 0.000 -1.220) 1.571 6.047 ( -3.178 0.000 -1.810) 3.658 6.097 ( -5.612 0.000 0.672) 5.652 6.289 ( -1.557 0.000 -0.462) 1.624 6.322 ( -2.277 0.000 1.122) 2.538 6.379 ( 0.574 0.000 0.256) 0.629 6.476 ( -3.046 0.000 0.178) 3.051 6.548 ( 1.979 0.000 -1.657) 2.581 6.739 ( 7.092 0.000 -2.919) 7.670 6.855 ( -4.749 0.000 -6.603) 8.133 6.943 ( -1.471 0.000 10.459) 10.562 7.192 ( -12.120 0.000 5.256) 13.210 7.322 ( -1.670 0.000 0.045) 1.671 7.341 ( -1.306 0.000 1.574) 2.045 7.348 ( -8.840 0.000 -4.938) 10.126 7.389 ( -3.186 0.000 2.182) 3.861 7.458 ( -2.305 0.000 -0.476) 2.353 ======================= Grid point 45 (26/36) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( -7.276 0.000 2.920) 7.840 0.508 ( -5.657 0.000 -7.948) 9.756 0.695 ( -6.879 0.000 4.803) 8.390 0.763 ( -0.301 0.000 -5.326) 5.334 1.060 ( 11.510 0.000 -6.261) 13.102 1.172 ( -3.103 0.000 2.113) 3.754 1.180 ( 2.497 0.000 -3.546) 4.337 1.279 ( 3.307 0.000 1.206) 3.520 1.290 ( -2.427 0.000 -0.876) 2.580 1.403 ( -0.123 0.000 2.752) 2.754 1.429 ( -3.028 0.000 0.271) 3.040 1.458 ( 7.354 0.000 1.827) 7.578 1.500 ( 5.660 0.000 -4.598) 7.292 1.571 ( -1.138 0.000 1.694) 2.040 1.573 ( 2.921 0.000 -7.937) 8.457 1.652 ( -1.650 0.000 -2.836) 3.281 1.655 ( -6.299 0.000 2.383) 6.735 1.719 ( -4.404 0.000 -2.062) 4.862 1.728 ( -7.668 0.000 4.673) 8.979 1.769 ( -9.350 0.000 -1.324) 9.443 1.895 ( 5.376 0.000 3.413) 6.368 1.909 ( 4.661 0.000 0.405) 4.678 1.919 ( 2.723 0.000 0.834) 2.848 2.012 ( 2.042 0.000 4.114) 4.593 2.087 ( -1.235 0.000 1.838) 2.214 2.155 ( -0.708 0.000 1.716) 1.856 2.247 ( -2.705 0.000 -1.549) 3.117 2.253 ( -7.243 0.000 -0.153) 7.245 2.283 ( 9.371 0.000 -5.401) 10.816 2.294 ( 5.875 0.000 4.583) 7.451 2.384 ( 2.384 0.000 0.047) 2.385 2.433 ( -5.434 0.000 1.148) 5.554 2.435 ( -5.858 0.000 5.036) 7.725 2.486 ( 4.816 0.000 1.022) 4.923 2.503 ( 0.741 0.000 -2.163) 2.287 2.596 ( -4.958 0.000 -0.088) 4.959 2.700 ( 2.154 0.000 2.755) 3.497 2.757 ( 3.613 0.000 4.729) 5.951 2.826 ( 2.210 0.000 -3.387) 4.044 2.833 ( 3.018 0.000 -0.142) 3.022 2.850 ( 3.366 0.000 0.380) 3.387 2.879 ( 1.159 0.000 0.595) 1.303 2.923 ( 2.278 0.000 0.753) 2.400 2.981 ( -2.287 0.000 1.203) 2.584 2.986 ( 1.485 0.000 -2.035) 2.519 3.018 ( -2.826 0.000 -1.353) 3.133 3.113 ( 0.686 0.000 -1.713) 1.845 3.134 ( -0.193 0.000 -3.716) 3.721 3.151 ( 4.479 0.000 -1.103) 4.613 3.184 ( -0.642 0.000 3.048) 3.115 3.204 ( 0.946 0.000 1.355) 1.652 3.275 ( 1.769 0.000 -3.412) 3.843 3.287 ( -1.149 0.000 0.993) 1.519 3.314 ( -1.693 0.000 -3.994) 4.338 3.420 ( 2.615 0.000 4.781) 5.449 3.519 ( 2.553 0.000 -2.365) 3.480 3.628 ( 0.924 0.000 -2.529) 2.692 3.642 ( 1.138 0.000 -1.259) 1.698 3.791 ( 1.474 0.000 0.588) 1.587 3.812 ( 1.234 0.000 -0.526) 1.341 3.845 ( 4.460 0.000 5.837) 7.346 3.955 ( 3.229 0.000 -0.960) 3.369 4.000 ( 3.405 0.000 1.656) 3.786 4.052 ( 4.849 0.000 -2.567) 5.486 4.130 ( 1.369 0.000 -3.449) 3.711 4.149 ( 0.308 0.000 0.356) 0.471 4.226 ( 4.744 0.000 0.919) 4.832 4.275 ( 0.758 0.000 -2.681) 2.786 4.294 ( 1.281 0.000 4.276) 4.464 4.371 ( -0.074 0.000 -2.036) 2.037 4.448 ( -0.283 0.000 2.757) 2.771 4.478 ( 5.991 0.000 -2.206) 6.384 4.484 ( 2.645 0.000 -3.936) 4.742 4.523 ( -2.044 0.000 2.636) 3.336 4.585 ( 1.745 0.000 -1.277) 2.163 4.590 ( -1.555 0.000 4.647) 4.900 4.700 ( 5.954 0.000 0.778) 6.005 4.802 ( 3.299 0.000 2.194) 3.962 4.852 ( 6.696 0.000 -1.481) 6.858 4.858 ( -4.060 0.000 0.650) 4.111 4.952 ( -0.867 0.000 3.126) 3.244 4.957 ( 7.081 0.000 3.916) 8.092 5.000 ( -4.841 0.000 2.926) 5.656 5.050 ( -5.806 0.000 -3.101) 6.583 5.099 ( 1.873 0.000 4.054) 4.466 5.160 ( -0.620 0.000 -1.697) 1.807 5.181 ( -1.222 0.000 -3.323) 3.540 5.216 ( 4.929 0.000 0.180) 4.932 5.277 ( 0.581 0.000 -6.546) 6.571 5.345 ( 2.812 0.000 -1.678) 3.274 5.401 ( 3.960 0.000 -0.994) 4.083 5.423 ( 1.299 0.000 -0.010) 1.299 5.469 ( 2.305 0.000 0.080) 2.306 5.508 ( -3.149 0.000 1.096) 3.334 5.539 ( -1.779 0.000 -0.288) 1.802 5.556 ( -5.347 0.000 -1.973) 5.699 5.602 ( 2.509 0.000 -1.681) 3.020 5.616 ( -1.581 0.000 -2.003) 2.552 5.637 ( -6.556 0.000 1.090) 6.646 5.706 ( -4.623 0.000 2.111) 5.082 5.764 ( -5.549 0.000 3.471) 6.545 5.853 ( -3.189 0.000 4.832) 5.789 5.862 ( -0.866 0.000 -4.639) 4.719 5.943 ( -4.298 0.000 -4.605) 6.299 6.026 ( 1.072 0.000 -2.056) 2.319 6.035 ( -1.472 0.000 1.892) 2.397 6.264 ( 0.306 0.000 -0.902) 0.952 6.269 ( -2.769 0.000 2.085) 3.467 6.379 ( -0.277 0.000 -0.075) 0.287 6.421 ( -1.597 0.000 -1.685) 2.322 6.639 ( 5.262 0.000 1.669) 5.520 6.756 ( -2.886 0.000 -0.460) 2.922 6.898 ( 5.469 0.000 -7.561) 9.332 6.906 ( -6.397 0.000 7.827) 10.109 6.981 ( -3.125 0.000 8.204) 8.779 7.179 ( -4.709 0.000 -6.937) 8.385 7.319 ( -1.456 0.000 1.677) 2.221 7.323 ( 0.689 0.000 -1.071) 1.274 7.351 ( 0.125 0.000 2.319) 2.322 7.414 ( -1.866 0.000 -1.228) 2.234 ======================= Grid point 46 (27/36) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 7.192 0.000 -3.002) 7.793 0.515 ( 9.921 0.000 -7.585) 12.488 0.643 ( 3.623 0.000 7.165) 8.030 0.816 ( 0.540 0.000 -7.393) 7.413 1.047 ( -9.194 0.000 -3.803) 9.949 1.126 ( 0.228 0.000 0.508) 0.557 1.254 ( 4.249 0.000 -0.041) 4.249 1.262 ( 2.886 0.000 -4.636) 5.461 1.367 ( -1.693 0.000 -5.412) 5.670 1.372 ( -9.746 0.000 6.025) 11.458 1.405 ( -4.889 0.000 3.034) 5.754 1.466 ( -6.802 0.000 -4.255) 8.024 1.479 ( 8.475 0.000 1.041) 8.539 1.541 ( -1.123 0.000 -5.244) 5.362 1.589 ( -0.342 0.000 3.345) 3.363 1.614 ( 0.023 0.000 -2.316) 2.316 1.649 ( 4.240 0.000 5.294) 6.783 1.682 ( 2.942 0.000 -0.185) 2.948 1.755 ( 11.968 0.000 0.204) 11.970 1.793 ( 2.036 0.000 -2.390) 3.140 1.862 ( -3.508 0.000 3.973) 5.300 1.886 ( -5.358 0.000 4.507) 7.001 1.970 ( -2.942 0.000 -3.299) 4.420 2.051 ( 3.807 0.000 3.158) 4.946 2.114 ( -2.958 0.000 -3.678) 4.720 2.132 ( 0.361 0.000 2.297) 2.325 2.166 ( -2.710 0.000 4.364) 5.137 2.215 ( 1.270 0.000 2.291) 2.619 2.279 ( -0.580 0.000 -1.712) 1.808 2.310 ( -5.092 0.000 2.090) 5.504 2.411 ( 0.533 0.000 7.458) 7.477 2.434 ( 3.158 0.000 1.338) 3.430 2.436 ( 3.200 0.000 -2.200) 3.883 2.468 ( -5.985 0.000 -2.730) 6.578 2.594 ( 4.742 0.000 1.173) 4.885 2.600 ( 7.763 0.000 -5.900) 9.751 2.708 ( -1.991 0.000 2.967) 3.573 2.790 ( -2.746 0.000 -2.110) 3.463 2.800 ( -3.925 0.000 -1.558) 4.223 2.843 ( -2.087 0.000 -1.660) 2.666 2.875 ( 1.040 0.000 1.387) 1.734 2.892 ( -3.148 0.000 -3.425) 4.652 2.941 ( 0.284 0.000 5.343) 5.351 2.955 ( 0.079 0.000 -0.742) 0.747 2.961 ( 0.358 0.000 -0.109) 0.374 3.027 ( -0.190 0.000 -1.008) 1.025 3.064 ( -3.825 0.000 2.590) 4.619 3.090 ( -3.086 0.000 -0.897) 3.214 3.160 ( -1.610 0.000 0.246) 1.628 3.204 ( -1.021 0.000 2.478) 2.680 3.221 ( 1.797 0.000 -1.536) 2.364 3.265 ( -2.983 0.000 -3.148) 4.337 3.265 ( -0.993 0.000 0.623) 1.173 3.317 ( 2.435 0.000 -3.073) 3.921 3.446 ( -0.179 0.000 3.610) 3.615 3.540 ( -1.111 0.000 -6.638) 6.730 3.616 ( -3.353 0.000 -0.725) 3.430 3.623 ( -1.410 0.000 1.205) 1.855 3.791 ( -2.751 0.000 0.132) 2.754 3.809 ( -0.415 0.000 0.029) 0.416 3.861 ( -3.181 0.000 7.515) 8.161 3.943 ( -4.765 0.000 -2.235) 5.263 4.018 ( -2.132 0.000 2.771) 3.496 4.028 ( -5.158 0.000 -2.931) 5.932 4.108 ( -3.500 0.000 -1.919) 3.992 4.150 ( 0.035 0.000 -0.044) 0.056 4.232 ( -3.619 0.000 1.583) 3.950 4.262 ( -3.469 0.000 -1.498) 3.779 4.321 ( -0.362 0.000 2.414) 2.441 4.326 ( -2.275 0.000 0.555) 2.342 4.398 ( -4.988 0.000 3.229) 5.942 4.471 ( -3.105 0.000 -0.557) 3.155 4.475 ( -1.544 0.000 0.224) 1.560 4.538 ( -0.875 0.000 3.257) 3.372 4.568 ( 2.770 0.000 -2.141) 3.501 4.668 ( -2.229 0.000 -2.607) 3.429 4.721 ( -0.850 0.000 -1.718) 1.917 4.822 ( -2.448 0.000 1.004) 2.646 4.829 ( 4.182 0.000 2.171) 4.712 4.875 ( -5.999 0.000 -3.097) 6.751 4.968 ( 5.634 0.000 4.679) 7.324 4.996 ( 1.733 0.000 -1.314) 2.175 5.011 ( -1.090 0.000 2.921) 3.118 5.048 ( 2.201 0.000 0.570) 2.274 5.094 ( -2.270 0.000 -3.889) 4.503 5.152 ( 6.845 0.000 -0.678) 6.878 5.208 ( 1.016 0.000 -0.699) 1.233 5.232 ( -10.435 0.000 -4.601) 11.405 5.264 ( -1.977 0.000 -4.476) 4.893 5.303 ( -5.403 0.000 3.112) 6.235 5.394 ( -1.240 0.000 -0.872) 1.516 5.429 ( -0.644 0.000 -0.559) 0.853 5.474 ( -3.109 0.000 -0.315) 3.125 5.490 ( 0.409 0.000 1.469) 1.525 5.508 ( 1.858 0.000 2.111) 2.812 5.536 ( -1.226 0.000 2.520) 2.802 5.539 ( 2.336 0.000 1.710) 2.895 5.616 ( 4.267 0.000 -0.659) 4.318 5.625 ( 4.811 0.000 1.685) 5.098 5.759 ( 1.790 0.000 -3.069) 3.553 5.783 ( 2.237 0.000 3.788) 4.399 5.836 ( 5.652 0.000 -2.934) 6.368 5.866 ( 4.400 0.000 3.193) 5.436 5.961 ( 2.461 0.000 -6.046) 6.528 6.016 ( 0.787 0.000 -1.668) 1.845 6.076 ( 3.466 0.000 -2.080) 4.043 6.239 ( 0.631 0.000 1.326) 1.469 6.303 ( 2.302 0.000 -1.046) 2.528 6.382 ( 1.705 0.000 2.427) 2.966 6.395 ( -1.136 0.000 -1.849) 2.170 6.656 ( -6.009 0.000 -0.093) 6.010 6.698 ( -0.601 0.000 4.998) 5.034 6.771 ( -4.362 0.000 5.798) 7.255 7.044 ( 8.648 0.000 -6.019) 10.537 7.044 ( 7.353 0.000 6.784) 10.005 7.139 ( 0.379 0.000 -7.815) 7.825 7.299 ( -0.156 0.000 1.489) 1.497 7.349 ( 1.464 0.000 -1.586) 2.158 7.380 ( 2.107 0.000 2.400) 3.194 7.388 ( -0.137 0.000 -1.502) 1.509 ======================= Grid point 47 (28/36) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 5.065 0.000 1.723) 5.350 0.749 ( -4.341 0.000 5.990) 7.398 0.765 ( 4.440 0.000 3.484) 5.644 0.839 ( 18.133 0.000 -6.410) 19.233 0.951 ( -0.380 0.000 -2.292) 2.323 1.108 ( -3.899 0.000 -1.492) 4.175 1.159 ( -8.057 0.000 4.456) 9.207 1.272 ( 0.693 0.000 0.891) 1.129 1.279 ( -2.782 0.000 -5.777) 6.412 1.312 ( -1.340 0.000 -2.904) 3.199 1.364 ( 0.007 0.000 -4.828) 4.828 1.402 ( 4.383 0.000 -5.989) 7.421 1.449 ( -6.973 0.000 2.618) 7.448 1.591 ( -2.793 0.000 -2.140) 3.519 1.627 ( -0.475 0.000 0.692) 0.839 1.673 ( -4.622 0.000 1.051) 4.740 1.714 ( -1.087 0.000 1.815) 2.115 1.724 ( 1.088 0.000 -0.685) 1.286 1.758 ( 4.105 0.000 3.236) 5.227 1.782 ( 3.424 0.000 0.942) 3.552 1.861 ( 3.993 0.000 -2.380) 4.648 1.981 ( -2.085 0.000 4.422) 4.889 1.983 ( 0.442 0.000 -2.047) 2.094 2.034 ( -2.200 0.000 0.772) 2.332 2.044 ( 5.481 0.000 0.849) 5.546 2.100 ( 0.409 0.000 2.139) 2.178 2.171 ( 0.821 0.000 3.392) 3.490 2.244 ( -0.053 0.000 1.615) 1.616 2.264 ( -0.327 0.000 1.973) 2.000 2.285 ( -0.539 0.000 5.831) 5.856 2.349 ( -2.636 0.000 -5.319) 5.937 2.423 ( -2.041 0.000 5.473) 5.841 2.489 ( 3.851 0.000 0.546) 3.890 2.520 ( 4.840 0.000 -2.046) 5.254 2.606 ( -8.231 0.000 -11.079) 13.802 2.632 ( -2.750 0.000 -2.379) 3.636 2.684 ( 2.175 0.000 1.418) 2.597 2.719 ( -4.413 0.000 3.236) 5.472 2.761 ( -5.545 0.000 -0.104) 5.546 2.770 ( 2.584 0.000 -5.987) 6.520 2.819 ( -2.045 0.000 -5.474) 5.843 2.879 ( -4.683 0.000 -0.797) 4.751 2.882 ( -1.500 0.000 0.951) 1.776 2.892 ( -5.211 0.000 7.610) 9.223 2.961 ( -4.480 0.000 1.039) 4.599 3.001 ( 0.739 0.000 -1.214) 1.421 3.026 ( -0.998 0.000 3.099) 3.256 3.033 ( -2.201 0.000 0.971) 2.405 3.117 ( -2.934 0.000 -4.362) 5.257 3.170 ( -5.660 0.000 -1.433) 5.838 3.171 ( -2.131 0.000 5.020) 5.454 3.237 ( -0.205 0.000 -1.890) 1.901 3.261 ( 1.005 0.000 2.877) 3.047 3.364 ( 1.232 0.000 -3.057) 3.295 3.422 ( -2.040 0.000 2.702) 3.385 3.469 ( -4.644 0.000 -5.814) 7.442 3.524 ( -4.587 0.000 1.110) 4.720 3.557 ( -4.928 0.000 -0.033) 4.928 3.680 ( -6.627 0.000 4.090) 7.787 3.749 ( -11.355 0.000 -4.021) 12.046 3.758 ( -4.563 0.000 -1.798) 4.904 3.805 ( -1.606 0.000 0.833) 1.809 3.889 ( -8.905 0.000 1.072) 8.970 3.905 ( -6.568 0.000 -0.879) 6.626 4.035 ( -3.340 0.000 -0.181) 3.345 4.115 ( -3.362 0.000 4.402) 5.539 4.156 ( -3.083 0.000 1.694) 3.518 4.163 ( -3.893 0.000 -2.849) 4.824 4.265 ( -4.126 0.000 0.968) 4.238 4.270 ( -3.689 0.000 4.050) 5.478 4.308 ( -3.053 0.000 0.010) 3.053 4.372 ( -6.637 0.000 -1.182) 6.742 4.417 ( -5.162 0.000 4.273) 6.701 4.514 ( -5.199 0.000 -1.762) 5.490 4.536 ( -0.242 0.000 2.381) 2.393 4.589 ( -1.223 0.000 -1.256) 1.754 4.757 ( -4.854 0.000 -2.722) 5.566 4.783 ( -4.742 0.000 -6.552) 8.088 4.786 ( 3.472 0.000 -6.892) 7.717 4.870 ( -1.291 0.000 3.819) 4.031 4.904 ( -2.492 0.000 3.934) 4.657 4.984 ( 2.650 0.000 -2.859) 3.898 5.015 ( -6.410 0.000 -1.730) 6.640 5.063 ( -5.827 0.000 2.937) 6.526 5.122 ( 2.362 0.000 0.306) 2.382 5.162 ( 2.527 0.000 1.522) 2.949 5.172 ( 4.731 0.000 1.213) 4.884 5.220 ( -0.661 0.000 1.453) 1.597 5.264 ( 1.931 0.000 -3.034) 3.596 5.276 ( 1.216 0.000 -2.096) 2.423 5.369 ( 1.323 0.000 -1.252) 1.822 5.410 ( 3.857 0.000 -0.542) 3.895 5.441 ( -0.140 0.000 0.953) 0.963 5.500 ( 0.436 0.000 2.073) 2.118 5.572 ( 3.026 0.000 2.350) 3.832 5.602 ( 1.059 0.000 -0.927) 1.408 5.621 ( 4.979 0.000 3.480) 6.075 5.704 ( 2.352 0.000 1.281) 2.678 5.712 ( 3.589 0.000 1.195) 3.783 5.759 ( 0.244 0.000 -2.962) 2.972 5.835 ( 4.160 0.000 1.917) 4.581 5.940 ( 1.943 0.000 1.623) 2.532 5.983 ( 4.669 0.000 2.343) 5.224 5.999 ( 1.530 0.000 -2.521) 2.949 6.083 ( 4.786 0.000 -5.302) 7.143 6.164 ( 4.335 0.000 -3.724) 5.715 6.285 ( 2.192 0.000 0.062) 2.193 6.322 ( -0.569 0.000 1.700) 1.793 6.385 ( 1.238 0.000 -1.057) 1.628 6.470 ( 5.074 0.000 0.732) 5.126 6.532 ( -5.363 0.000 0.189) 5.367 6.658 ( -6.547 0.000 4.347) 7.859 6.736 ( 5.441 0.000 6.168) 8.225 7.135 ( 1.649 0.000 -8.984) 9.134 7.253 ( 10.900 0.000 4.987) 11.987 7.263 ( 8.575 0.000 -1.592) 8.722 7.313 ( 1.328 0.000 1.011) 1.669 7.379 ( 2.757 0.000 -2.553) 3.757 7.424 ( 3.525 0.000 -1.685) 3.907 7.432 ( 2.726 0.000 2.169) 3.483 ======================= Grid point 48 (29/36) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 0.097 0.000 9.325) 9.326 0.701 ( -0.154 0.000 15.520) 15.521 0.863 ( 4.247 0.000 3.153) 5.290 0.970 ( 5.117 0.000 -1.737) 5.403 0.977 ( -6.017 0.000 -3.612) 7.018 1.078 ( -0.165 0.000 -1.999) 2.006 1.185 ( 4.630 0.000 -3.249) 5.656 1.222 ( 3.642 0.000 -6.057) 7.068 1.265 ( -7.183 0.000 -0.665) 7.213 1.267 ( -1.536 0.000 1.162) 1.926 1.366 ( -1.207 0.000 -1.779) 2.150 1.398 ( 5.873 0.000 1.201) 5.995 1.421 ( -9.812 0.000 -3.221) 10.327 1.500 ( 3.624 0.000 -7.433) 8.270 1.552 ( -5.046 0.000 7.673) 9.183 1.603 ( -6.141 0.000 -7.153) 9.427 1.620 ( -5.200 0.000 2.145) 5.625 1.723 ( 5.554 0.000 1.945) 5.884 1.771 ( -1.829 0.000 3.804) 4.221 1.873 ( -0.632 0.000 3.345) 3.404 1.877 ( -0.719 0.000 -0.709) 1.010 2.013 ( 4.572 0.000 -1.854) 4.933 2.020 ( -3.673 0.000 -3.156) 4.843 2.040 ( 4.471 0.000 -1.604) 4.750 2.074 ( 2.911 0.000 0.008) 2.911 2.152 ( -0.581 0.000 0.900) 1.071 2.197 ( -0.428 0.000 2.846) 2.878 2.200 ( -1.356 0.000 1.263) 1.853 2.271 ( 0.724 0.000 -2.400) 2.507 2.282 ( 1.594 0.000 1.962) 2.528 2.336 ( -3.162 0.000 0.405) 3.188 2.352 ( -2.619 0.000 -7.183) 7.646 2.491 ( -1.132 0.000 1.346) 1.759 2.521 ( -3.897 0.000 -0.367) 3.914 2.599 ( 3.327 0.000 6.066) 6.919 2.600 ( -1.487 0.000 -3.656) 3.947 2.623 ( -2.696 0.000 1.914) 3.307 2.676 ( -1.195 0.000 -1.291) 1.759 2.706 ( -5.395 0.000 1.427) 5.580 2.731 ( 1.027 0.000 -0.032) 1.027 2.775 ( -4.761 0.000 5.610) 7.358 2.785 ( -0.526 0.000 -4.730) 4.759 2.830 ( 0.827 0.000 2.777) 2.897 2.848 ( -0.680 0.000 0.418) 0.799 2.891 ( -2.839 0.000 -1.015) 3.015 2.954 ( -4.328 0.000 -1.517) 4.586 3.004 ( -0.950 0.000 -0.985) 1.369 3.005 ( -1.761 0.000 0.232) 1.777 3.039 ( -6.080 0.000 2.246) 6.481 3.053 ( -1.664 0.000 -6.093) 6.316 3.120 ( -2.413 0.000 4.258) 4.894 3.220 ( -1.133 0.000 -3.309) 3.498 3.279 ( -0.710 0.000 2.957) 3.041 3.303 ( -4.776 0.000 -3.106) 5.697 3.379 ( -1.603 0.000 3.190) 3.570 3.416 ( -1.303 0.000 -1.168) 1.749 3.469 ( -2.210 0.000 -0.722) 2.325 3.471 ( -0.162 0.000 3.112) 3.116 3.527 ( -8.235 0.000 -3.792) 9.066 3.599 ( -0.979 0.000 -2.993) 3.149 3.657 ( -4.495 0.000 -2.206) 5.007 3.660 ( -8.134 0.000 -1.275) 8.233 3.784 ( -4.131 0.000 1.201) 4.303 3.842 ( 1.513 0.000 -1.222) 1.945 3.983 ( -1.058 0.000 1.169) 1.577 4.034 ( -3.626 0.000 3.434) 4.994 4.100 ( -1.910 0.000 -2.571) 3.203 4.104 ( -2.075 0.000 2.671) 3.383 4.179 ( -3.757 0.000 1.122) 3.921 4.186 ( -5.271 0.000 1.725) 5.546 4.207 ( -7.288 0.000 -0.158) 7.290 4.270 ( -0.595 0.000 0.063) 0.599 4.283 ( -6.277 0.000 -0.124) 6.279 4.435 ( -3.061 0.000 -1.717) 3.510 4.524 ( -0.302 0.000 0.886) 0.936 4.574 ( -0.639 0.000 -1.708) 1.824 4.668 ( -3.324 0.000 0.150) 3.327 4.669 ( -3.359 0.000 -5.560) 6.496 4.825 ( -2.656 0.000 6.767) 7.269 4.856 ( 2.137 0.000 -6.067) 6.432 4.878 ( -0.420 0.000 6.742) 6.755 4.930 ( -0.913 0.000 -1.549) 1.798 4.971 ( -2.824 0.000 2.993) 4.115 5.072 ( 4.370 0.000 -2.098) 4.847 5.133 ( -0.794 0.000 -6.274) 6.324 5.159 ( -1.154 0.000 0.789) 1.398 5.163 ( -1.424 0.000 1.371) 1.977 5.260 ( -1.935 0.000 -2.936) 3.516 5.344 ( 4.697 0.000 1.201) 4.848 5.345 ( 6.154 0.000 -0.662) 6.190 5.440 ( 3.955 0.000 0.616) 4.002 5.475 ( 2.790 0.000 2.464) 3.722 5.507 ( 3.586 0.000 -0.052) 3.587 5.521 ( 1.906 0.000 3.161) 3.691 5.596 ( -0.820 0.000 -1.141) 1.405 5.614 ( 1.104 0.000 2.362) 2.608 5.702 ( -1.386 0.000 -2.884) 3.200 5.709 ( 1.739 0.000 2.015) 2.662 5.762 ( 3.445 0.000 1.093) 3.615 5.796 ( 2.098 0.000 0.146) 2.103 5.940 ( 4.663 0.000 -0.223) 4.668 5.958 ( 0.251 0.000 1.975) 1.991 6.026 ( 1.452 0.000 0.956) 1.738 6.049 ( 1.861 0.000 1.060) 2.142 6.168 ( 2.735 0.000 -4.106) 4.934 6.181 ( -2.717 0.000 -3.654) 4.554 6.273 ( -3.507 0.000 4.478) 5.688 6.317 ( 1.238 0.000 -1.812) 2.195 6.397 ( -1.746 0.000 -1.524) 2.318 6.501 ( 3.109 0.000 2.436) 3.950 6.507 ( -6.722 0.000 3.031) 7.374 6.566 ( 3.634 0.000 -3.311) 4.916 6.903 ( 7.926 0.000 7.754) 11.088 7.177 ( 2.233 0.000 -8.406) 8.698 7.344 ( 1.385 0.000 0.754) 1.577 7.361 ( 2.175 0.000 -0.407) 2.213 7.436 ( 4.576 0.000 3.148) 5.554 7.449 ( 2.871 0.000 -1.028) 3.050 7.505 ( 4.870 0.000 3.631) 6.074 7.567 ( 8.540 0.000 -4.040) 9.448 ======================= Grid point 49 (30/36) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 1.750 6.833 13.352) 15.100 0.798 ( -2.313 7.623 15.363) 17.306 0.909 ( -0.353 -8.823 2.153) 9.089 0.962 ( -0.495 -5.246 8.955) 10.390 0.988 ( -1.220 6.551 -5.225) 8.468 1.110 ( 6.844 0.038 1.501) 7.006 1.121 ( -2.467 -1.249 -10.937) 11.281 1.129 ( 0.004 -3.616 -6.607) 7.532 1.202 ( 4.335 -2.450 -0.780) 5.040 1.268 ( 0.828 2.810 -4.217) 5.135 1.293 ( -2.756 -5.479 -6.805) 9.161 1.302 ( -5.870 2.168 -5.436) 8.289 1.468 ( -0.924 5.252 3.268) 6.255 1.513 ( 1.917 1.664 -2.116) 3.305 1.596 ( -1.109 4.077 9.208) 10.131 1.674 ( 2.549 5.523 -0.052) 6.083 1.699 ( 0.277 1.126 -1.715) 2.071 1.768 ( 1.907 -0.735 -3.739) 4.261 1.775 ( -2.952 3.599 2.528) 5.297 1.806 ( 0.244 1.357 -1.204) 1.830 1.910 ( 0.805 -3.081 3.690) 4.875 1.980 ( -0.219 -2.947 -3.592) 4.652 2.012 ( -3.005 -0.931 3.244) 4.519 2.058 ( -1.847 -2.427 3.131) 4.371 2.065 ( 1.769 0.277 2.875) 3.387 2.106 ( 0.640 -1.286 -1.211) 1.879 2.162 ( -1.081 -2.791 1.445) 3.324 2.193 ( 0.775 0.443 -0.593) 1.071 2.223 ( 0.825 -2.105 -1.999) 3.017 2.257 ( 1.900 -0.674 -2.590) 3.282 2.356 ( -1.129 1.029 -0.027) 1.528 2.377 ( -1.321 -1.601 -0.427) 2.119 2.413 ( 3.019 -0.106 2.438) 3.882 2.456 ( -1.403 -2.622 0.046) 2.974 2.500 ( -0.514 2.155 -3.484) 4.128 2.551 ( -3.278 1.220 3.004) 4.611 2.614 ( 0.807 -2.040 2.914) 3.648 2.617 ( 1.562 -1.411 -0.160) 2.110 2.638 ( 0.683 -4.658 -4.238) 6.334 2.655 ( 1.312 -4.375 -4.463) 6.386 2.764 ( 2.183 1.362 1.305) 2.885 2.791 ( -2.363 0.466 0.085) 2.410 2.814 ( -3.632 -1.352 0.091) 3.877 2.824 ( 1.579 -2.435 -0.875) 3.031 2.915 ( -0.090 3.374 3.948) 5.194 2.967 ( -0.437 -0.659 4.590) 4.658 3.010 ( 1.043 4.255 2.608) 5.098 3.024 ( 2.497 3.045 -4.686) 6.121 3.043 ( -0.391 3.004 -0.088) 3.030 3.076 ( -0.979 1.756 0.028) 2.010 3.103 ( 1.230 0.567 -1.669) 2.149 3.177 ( -3.465 -2.606 -3.868) 5.810 3.273 ( -0.785 2.882 2.751) 4.061 3.311 ( 1.094 3.209 -0.612) 3.445 3.336 ( 1.025 -1.863 2.895) 3.592 3.396 ( -0.210 -2.706 -2.688) 3.819 3.430 ( -0.484 1.686 -0.215) 1.767 3.446 ( 0.371 0.133 -1.893) 1.934 3.505 ( 0.449 -0.127 -1.054) 1.153 3.517 ( -1.594 -1.701 -2.686) 3.557 3.599 ( 0.091 1.527 -1.755) 2.328 3.624 ( 1.849 -0.359 -4.296) 4.691 3.774 ( 0.846 0.792 0.917) 1.478 3.807 ( -0.767 -2.145 -2.342) 3.268 3.983 ( 1.709 0.907 3.745) 4.216 4.027 ( 0.405 -3.099 1.241) 3.362 4.040 ( -0.131 2.121 0.388) 2.160 4.073 ( -2.095 0.027 -0.488) 2.151 4.081 ( 2.028 -1.694 1.343) 2.964 4.098 ( -1.671 -1.216 -0.481) 2.122 4.214 ( 1.471 4.058 2.760) 5.123 4.277 ( 2.001 -1.249 2.889) 3.730 4.287 ( -0.927 5.345 -3.275) 6.336 4.372 ( -2.125 -1.391 -4.249) 4.950 4.498 ( 0.913 -2.274 0.505) 2.502 4.503 ( -0.894 -2.336 -0.725) 2.604 4.671 ( -1.508 4.254 2.321) 5.075 4.709 ( 0.765 4.035 -1.339) 4.320 4.753 ( -3.006 -2.190 4.935) 6.179 4.801 ( 1.468 -4.788 2.675) 5.678 4.876 ( 0.390 -1.144 2.411) 2.697 4.892 ( 1.155 -1.943 3.491) 4.159 5.002 ( -0.236 2.806 -4.754) 5.526 5.059 ( -1.250 -2.439 -7.390) 7.882 5.147 ( 1.027 1.262 1.364) 2.124 5.169 ( 2.079 -0.402 0.542) 2.186 5.186 ( -0.200 2.210 -0.679) 2.321 5.207 ( -2.501 0.154 -2.822) 3.773 5.406 ( -1.116 0.903 3.555) 3.834 5.451 ( 0.377 -1.806 1.724) 2.525 5.467 ( 0.540 0.944 -0.901) 1.412 5.495 ( 1.280 -1.090 -1.177) 2.052 5.542 ( -0.127 1.216 3.018) 3.256 5.577 ( 3.166 -0.088 2.241) 3.880 5.584 ( 0.556 0.913 -0.564) 1.209 5.625 ( -2.851 -2.001 -0.665) 3.546 5.674 ( -0.755 -0.400 0.908) 1.246 5.712 ( -0.204 1.642 -2.742) 3.203 5.721 ( 1.114 -4.499 3.115) 5.585 5.770 ( -1.280 -3.252 -1.487) 3.798 5.995 ( 1.360 2.169 2.024) 3.263 6.029 ( 2.812 -0.065 -0.132) 2.816 6.061 ( -1.000 1.142 0.513) 1.602 6.087 ( -0.141 0.153 -0.092) 0.228 6.133 ( 0.924 -1.443 0.845) 1.911 6.153 ( 0.931 -2.283 0.445) 2.506 6.174 ( -1.028 -0.162 -1.913) 2.178 6.218 ( -3.915 -3.574 -3.763) 6.500 6.462 ( 1.033 4.314 2.832) 5.262 6.517 ( 0.564 3.935 -2.153) 4.521 6.549 ( -0.140 -3.548 -0.536) 3.591 6.566 ( 0.809 -0.562 -1.652) 1.923 7.083 ( 0.833 5.753 7.239) 9.284 7.180 ( -1.137 -1.950 -2.271) 3.202 7.397 ( 0.091 1.132 1.140) 1.609 7.408 ( -0.160 0.794 0.264) 0.852 7.462 ( 0.119 -0.034 1.418) 1.423 7.481 ( -0.291 1.443 -0.748) 1.652 7.579 ( -0.349 0.936 0.153) 1.011 7.637 ( -0.550 -2.907 -4.909) 5.732 ======================= Grid point 50 (31/36) ======================= q-point: ( 0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -2.209 7.119 12.263) 14.351 0.833 ( 3.634 5.495 7.568) 10.034 0.870 ( -1.248 2.247 3.626) 4.445 0.944 ( 0.233 -1.635 3.496) 3.866 0.971 ( -3.749 -3.866 -0.361) 5.398 1.044 ( -1.870 -4.702 -2.862) 5.814 1.101 ( -1.498 -0.857 -7.346) 7.546 1.157 ( -8.664 -2.828 -1.534) 9.242 1.250 ( 4.321 1.492 -1.173) 4.720 1.284 ( 4.387 1.562 -7.348) 8.699 1.326 ( 7.259 -3.418 -5.070) 9.491 1.353 ( 6.091 -4.041 -1.096) 7.392 1.495 ( -0.199 6.262 -2.106) 6.610 1.544 ( -3.774 5.842 -0.864) 7.009 1.620 ( 6.359 1.199 -1.940) 6.755 1.634 ( -1.291 5.455 -0.185) 5.609 1.659 ( -3.383 -4.915 1.030) 6.055 1.753 ( 1.893 2.144 7.153) 7.704 1.787 ( -1.733 2.593 -3.510) 4.695 1.852 ( 0.210 0.710 -0.340) 0.814 1.902 ( 2.890 -0.531 6.488) 7.122 1.952 ( -0.537 4.315 0.709) 4.406 1.986 ( -1.442 -2.053 -0.533) 2.565 2.056 ( 2.344 -5.629 1.532) 6.287 2.099 ( -0.614 -3.228 0.196) 3.292 2.132 ( -0.109 -2.023 1.115) 2.313 2.178 ( 1.640 -0.611 1.076) 2.054 2.196 ( 3.027 0.520 2.237) 3.800 2.246 ( -0.161 0.875 0.756) 1.168 2.275 ( -2.341 -0.769 -2.038) 3.198 2.352 ( 0.462 2.964 -0.341) 3.019 2.404 ( 3.094 -2.072 0.492) 3.756 2.433 ( -0.331 -2.465 1.584) 2.948 2.480 ( 1.271 -1.378 1.744) 2.560 2.529 ( 1.433 -1.757 3.701) 4.341 2.541 ( 1.428 -2.908 -4.906) 5.880 2.593 ( 0.668 0.109 -1.771) 1.896 2.629 ( -0.630 1.407 -0.386) 1.589 2.666 ( 2.153 -2.663 -2.188) 4.063 2.698 ( 2.654 -4.796 -5.161) 7.528 2.770 ( 3.671 1.448 -0.036) 3.947 2.797 ( 2.181 -0.582 2.045) 3.046 2.860 ( 2.632 3.399 3.409) 5.486 2.915 ( 4.087 1.254 2.036) 4.735 2.942 ( 3.581 0.597 -2.072) 4.180 2.965 ( 0.304 0.737 -1.105) 1.362 2.999 ( -0.162 2.295 -0.100) 2.302 3.033 ( -0.424 2.000 1.374) 2.463 3.077 ( -1.336 0.534 -3.463) 3.750 3.092 ( 3.337 -1.993 0.937) 3.998 3.120 ( 3.026 0.384 2.681) 4.061 3.141 ( 2.756 -1.215 -0.556) 3.062 3.296 ( 2.645 3.637 2.204) 5.008 3.344 ( 0.226 -0.788 1.856) 2.029 3.373 ( 1.353 1.819 -1.940) 2.984 3.417 ( 1.367 -2.052 -3.179) 4.023 3.464 ( 3.726 1.616 1.167) 4.226 3.513 ( 5.619 -2.173 -1.797) 6.287 3.532 ( 2.991 1.814 -1.934) 3.997 3.580 ( 7.195 -1.350 0.187) 7.323 3.639 ( 4.558 0.927 -3.022) 5.547 3.672 ( 4.062 -0.888 -4.342) 6.012 3.809 ( 1.999 0.692 -0.214) 2.127 3.822 ( 2.185 -0.362 -1.814) 2.863 4.009 ( 1.538 1.099 0.732) 2.027 4.042 ( 1.887 -1.498 0.645) 2.494 4.096 ( 4.020 1.218 -1.682) 4.525 4.121 ( 4.598 -0.009 2.882) 5.427 4.143 ( 6.397 -0.647 2.012) 6.737 4.158 ( 3.498 -2.758 -0.059) 4.455 4.290 ( 3.717 5.013 0.193) 6.243 4.307 ( 5.488 1.515 -1.744) 5.954 4.346 ( 2.768 -0.616 0.493) 2.878 4.376 ( 3.584 -1.183 -2.012) 4.277 4.499 ( 0.775 -0.883 0.086) 1.178 4.524 ( 1.478 -2.786 0.549) 3.202 4.644 ( -0.606 3.038 1.868) 3.617 4.696 ( -2.509 -1.318 5.684) 6.351 4.752 ( 2.673 4.031 0.384) 4.851 4.840 ( 2.063 -4.455 4.348) 6.558 4.877 ( -0.364 0.095 2.487) 2.515 4.924 ( 1.070 -2.901 -0.813) 3.197 5.000 ( 0.446 1.257 -3.591) 3.831 5.031 ( -0.341 -1.035 -4.499) 4.629 5.145 ( -0.359 0.485 0.419) 0.734 5.152 ( -2.047 0.198 -3.301) 3.889 5.204 ( 1.471 1.270 -0.075) 1.945 5.221 ( 1.286 -0.751 1.283) 1.965 5.344 ( -4.030 2.921 1.531) 5.207 5.420 ( -3.449 -3.389 0.580) 4.870 5.440 ( -3.294 3.832 -1.589) 5.297 5.491 ( -1.067 0.953 -1.315) 1.943 5.508 ( -2.143 -1.659 1.157) 2.947 5.549 ( -1.848 -2.765 -0.539) 3.369 5.589 ( -1.088 3.866 -0.573) 4.057 5.637 ( 1.257 1.351 2.886) 3.426 5.677 ( 0.065 -1.547 -0.022) 1.549 5.695 ( -0.901 -1.676 0.436) 1.952 5.726 ( -1.689 -2.245 -0.486) 2.851 5.739 ( -0.612 -2.750 0.644) 2.890 5.954 ( -3.440 2.013 -0.712) 4.049 5.992 ( -3.021 -1.070 -2.159) 3.864 6.070 ( -1.285 1.557 -0.335) 2.047 6.081 ( -1.104 2.836 0.354) 3.063 6.109 ( -3.393 -1.922 -0.997) 4.025 6.170 ( 1.670 -3.662 2.060) 4.521 6.195 ( 0.839 -0.839 -1.245) 1.720 6.243 ( 4.385 -2.956 2.728) 5.950 6.491 ( 0.167 -0.243 -0.400) 0.496 6.499 ( -3.448 -0.849 -2.303) 4.233 6.519 ( -0.442 5.153 -1.658) 5.431 6.604 ( 3.714 -1.680 -1.531) 4.354 7.040 ( -4.239 3.406 6.949) 8.824 7.077 ( -7.969 1.072 -2.609) 8.453 7.368 ( -2.813 1.115 1.369) 3.321 7.386 ( -2.362 0.966 1.046) 2.758 7.431 ( -3.841 2.019 0.091) 4.340 7.450 ( -4.432 1.900 0.592) 4.858 7.490 ( -4.162 -1.621 2.143) 4.954 7.529 ( -7.933 -3.491 -3.546) 9.365 ======================= Grid point 51 (32/36) ======================= q-point: ( 0.29 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -5.521 5.490 0.920) 7.840 0.719 ( -12.731 2.119 7.271) 14.813 0.804 ( -6.625 -2.385 -3.285) 7.770 0.868 ( -12.708 -6.399 -0.463) 14.235 0.932 ( 4.743 6.722 -2.315) 8.546 1.078 ( 4.426 -4.456 -2.932) 6.932 1.116 ( 8.922 2.260 6.359) 11.187 1.185 ( 6.795 -2.752 0.089) 7.332 1.297 ( 0.496 3.856 -2.084) 4.411 1.388 ( -1.018 2.902 -2.886) 4.218 1.418 ( 1.057 0.562 -5.815) 5.937 1.452 ( 2.790 -3.230 0.520) 4.300 1.488 ( 4.081 -0.783 -2.167) 4.686 1.508 ( -4.413 1.413 -2.586) 5.306 1.537 ( 2.180 -1.369 -2.818) 3.817 1.647 ( 2.132 -1.681 0.199) 2.722 1.741 ( 1.725 -1.557 -3.213) 3.965 1.764 ( 0.029 4.769 -1.150) 4.906 1.800 ( -4.660 -2.426 1.393) 5.435 1.848 ( -2.717 0.292 -1.807) 3.276 1.870 ( 4.564 3.892 2.979) 6.697 1.971 ( -1.619 -2.743 2.046) 3.786 2.014 ( 2.192 4.832 3.710) 6.475 2.052 ( -4.561 2.791 0.356) 5.359 2.077 ( -1.486 1.456 3.527) 4.095 2.125 ( -2.359 -0.221 4.099) 4.734 2.148 ( -2.267 0.582 1.194) 2.628 2.197 ( 2.707 -2.637 0.559) 3.821 2.278 ( 2.022 1.769 3.141) 4.133 2.290 ( 0.539 -2.566 -0.999) 2.806 2.377 ( -0.720 -2.319 0.476) 2.474 2.390 ( 2.974 0.245 -0.774) 3.082 2.434 ( -4.086 -3.794 0.484) 5.597 2.456 ( -0.084 -3.496 -0.988) 3.634 2.555 ( 1.980 -1.594 2.370) 3.475 2.579 ( 1.784 -4.087 2.630) 5.178 2.639 ( 1.935 1.691 1.189) 2.832 2.657 ( 2.620 -0.103 -0.989) 2.802 2.763 ( 6.181 1.969 -4.428) 7.854 2.779 ( 1.866 0.267 3.402) 3.889 2.826 ( 2.807 1.784 -0.163) 3.330 2.843 ( 3.855 1.085 -2.630) 4.791 2.887 ( -0.029 -0.156 2.891) 2.896 2.927 ( -0.043 -2.420 -1.909) 3.082 2.991 ( 2.183 1.445 -2.192) 3.414 3.038 ( 2.319 0.235 0.368) 2.360 3.045 ( 2.961 -0.491 -3.253) 4.427 3.054 ( 3.518 -0.051 1.442) 3.802 3.123 ( 3.479 2.368 -0.168) 4.212 3.167 ( 1.985 -1.337 3.066) 3.890 3.193 ( 2.757 0.885 -0.173) 2.901 3.209 ( 3.994 -0.811 -0.773) 4.148 3.323 ( -1.569 0.282 1.124) 1.950 3.335 ( -0.305 -0.625 -0.141) 0.710 3.390 ( 1.615 3.605 -2.037) 4.445 3.456 ( 2.086 -1.722 -2.707) 3.827 3.557 ( 4.141 -0.546 -0.190) 4.181 3.569 ( 3.397 -1.003 -1.770) 3.959 3.689 ( 7.813 1.673 1.396) 8.111 3.731 ( 4.671 -1.887 -0.001) 5.038 3.784 ( 8.049 1.362 -3.062) 8.719 3.802 ( 6.880 -0.047 -1.924) 7.145 3.889 ( 5.305 -0.020 -0.639) 5.343 3.903 ( 7.875 -0.733 -1.212) 8.002 4.060 ( 3.321 1.541 0.807) 3.749 4.103 ( 3.304 -1.389 1.259) 3.799 4.176 ( 2.535 0.983 -0.850) 2.849 4.194 ( 4.342 -0.580 -3.148) 5.395 4.263 ( 4.486 0.734 3.377) 5.663 4.287 ( 5.564 -0.950 2.692) 6.254 4.380 ( 5.380 2.746 -1.255) 6.169 4.414 ( 4.436 -0.302 -3.505) 5.662 4.440 ( 1.667 0.406 0.867) 1.923 4.459 ( 6.224 -1.344 1.663) 6.581 4.552 ( 4.499 0.910 0.034) 4.590 4.578 ( 3.595 -0.105 -0.129) 3.599 4.628 ( -1.446 -0.673 3.737) 4.063 4.665 ( -0.431 -2.449 2.213) 3.328 4.816 ( 4.147 3.675 1.642) 5.779 4.864 ( -0.240 -0.269 1.653) 1.692 4.907 ( 3.553 -1.912 4.310) 5.904 4.917 ( -0.629 -1.083 -0.152) 1.261 5.004 ( -0.042 0.729 -1.125) 1.341 5.067 ( 0.522 -4.525 -3.380) 5.672 5.106 ( -0.591 1.544 0.192) 1.664 5.141 ( 0.479 -1.748 0.312) 1.839 5.214 ( -1.959 1.890 0.270) 2.735 5.235 ( 0.330 0.159 -0.770) 0.852 5.298 ( 0.444 1.059 -1.685) 2.039 5.318 ( -3.495 1.409 -1.437) 4.033 5.384 ( -1.632 1.371 -1.666) 2.705 5.443 ( -4.066 0.219 -1.809) 4.456 5.471 ( -0.143 2.452 -0.061) 2.457 5.527 ( -0.711 -2.342 -0.544) 2.507 5.567 ( -0.783 1.772 0.548) 2.013 5.611 ( -3.001 -0.523 -0.860) 3.166 5.665 ( -2.356 -0.695 -2.731) 3.673 5.685 ( -1.338 -2.200 -1.572) 3.017 5.695 ( 0.079 0.915 3.503) 3.622 5.722 ( -0.890 -1.021 1.790) 2.244 5.868 ( -5.464 0.936 -0.734) 5.592 5.908 ( -5.590 -1.939 0.504) 5.938 6.017 ( -4.962 1.547 1.713) 5.473 6.031 ( -3.161 -0.931 -1.906) 3.807 6.047 ( -0.718 3.188 -2.435) 4.076 6.178 ( 0.273 -6.984 -0.038) 6.990 6.187 ( -2.130 6.488 2.328) 7.214 6.318 ( 1.860 -4.521 2.280) 5.394 6.413 ( -3.508 -0.455 -1.853) 3.993 6.458 ( -1.746 -0.315 -0.276) 1.796 6.516 ( -1.445 4.629 -1.156) 4.985 6.679 ( 1.001 -6.507 -0.943) 6.651 6.928 ( -3.320 4.295 -3.508) 6.463 6.965 ( -2.046 0.657 5.682) 6.075 7.207 ( -10.607 1.992 3.355) 11.302 7.276 ( -8.616 -3.705 -0.048) 9.379 7.349 ( -2.490 1.040 -0.794) 2.813 7.359 ( -2.154 0.484 0.665) 2.306 7.418 ( -2.483 1.624 -0.037) 2.967 7.447 ( -1.794 -0.959 -0.190) 2.043 ======================= Grid point 52 (33/36) ======================= q-point: ( 0.43 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -6.632 6.515 1.959) 9.501 0.559 ( -6.860 3.588 -5.469) 9.478 0.636 ( -5.100 -4.772 1.546) 7.154 0.689 ( -1.192 -6.024 -6.444) 8.902 1.088 ( 7.970 3.006 -2.396) 8.849 1.155 ( 1.970 -2.201 -1.060) 3.138 1.212 ( -2.120 2.377 -2.046) 3.785 1.262 ( -4.878 -1.939 -2.764) 5.932 1.335 ( 4.611 -0.908 1.688) 4.994 1.368 ( 3.538 2.774 2.047) 4.939 1.375 ( 3.377 -0.724 -1.201) 3.656 1.489 ( -0.175 0.192 0.783) 0.824 1.513 ( 1.396 -0.103 -2.132) 2.550 1.581 ( 5.326 -2.303 -3.252) 6.652 1.608 ( -4.905 3.442 0.317) 6.000 1.648 ( -5.007 -0.707 1.098) 5.174 1.682 ( 1.048 1.926 -1.603) 2.717 1.698 ( -2.332 -0.253 2.806) 3.657 1.770 ( 1.515 3.589 0.141) 3.898 1.839 ( -4.957 3.303 1.880) 6.246 1.869 ( 4.974 -1.568 0.313) 5.225 1.943 ( -5.204 6.566 -0.155) 8.379 1.960 ( -2.662 -2.723 0.782) 3.887 2.047 ( 4.727 5.310 -0.684) 7.142 2.083 ( -2.368 -1.046 4.211) 4.943 2.099 ( 1.173 -2.694 1.378) 3.245 2.169 ( 0.291 -5.772 1.929) 6.093 2.195 ( -1.608 -5.799 -1.892) 6.309 2.249 ( -0.112 -0.872 -0.715) 1.133 2.269 ( -1.526 -2.950 -0.698) 3.393 2.347 ( -2.080 1.059 -1.263) 2.653 2.416 ( -2.819 -3.679 -3.232) 5.651 2.466 ( 5.050 3.684 4.202) 7.532 2.507 ( 4.224 0.836 -1.328) 4.506 2.545 ( -1.782 1.477 3.577) 4.261 2.572 ( -2.103 -1.106 3.519) 4.246 2.702 ( 3.176 -0.402 4.413) 5.452 2.712 ( 3.691 -1.747 6.274) 7.486 2.830 ( 2.657 1.178 0.763) 3.005 2.853 ( 0.306 2.171 -0.967) 2.396 2.865 ( 2.946 -0.991 -1.741) 3.563 2.906 ( -1.709 -2.030 -1.833) 3.225 2.928 ( 2.681 1.559 2.334) 3.882 2.942 ( 2.897 -0.951 -0.214) 3.056 3.007 ( -0.176 2.688 -3.290) 4.252 3.053 ( -0.655 1.769 -3.151) 3.673 3.086 ( 0.913 -2.265 -3.000) 3.868 3.097 ( -0.057 -1.404 0.425) 1.468 3.176 ( 2.046 0.453 -0.123) 2.099 3.182 ( -0.296 -0.247 3.290) 3.313 3.231 ( 0.420 2.087 -0.667) 2.231 3.264 ( 1.226 -0.576 -2.515) 2.856 3.298 ( -0.727 -0.251 -1.902) 2.052 3.308 ( -1.322 -0.304 -1.248) 1.843 3.436 ( 1.952 2.108 0.886) 3.006 3.495 ( 1.531 -2.421 -3.568) 4.575 3.616 ( 1.769 0.170 0.385) 1.819 3.637 ( 1.713 -1.087 -0.340) 2.057 3.777 ( 0.953 0.038 1.682) 1.933 3.795 ( 1.385 -1.264 1.075) 2.161 3.888 ( 3.777 2.656 0.349) 4.631 3.943 ( 4.016 -2.344 -1.885) 5.017 4.008 ( 3.553 2.070 0.010) 4.113 4.051 ( 3.701 -1.099 -2.047) 4.370 4.122 ( 1.856 1.405 2.328) 3.293 4.163 ( 1.705 -0.817 0.982) 2.131 4.237 ( 2.811 0.824 -0.105) 2.932 4.262 ( 1.161 -1.135 -1.213) 2.027 4.319 ( 2.189 2.670 2.458) 4.238 4.372 ( 2.208 -1.222 -0.532) 2.579 4.436 ( -0.927 0.491 0.171) 1.063 4.468 ( 1.522 -1.443 -2.636) 3.368 4.512 ( 4.522 2.297 -1.674) 5.341 4.539 ( -1.626 1.299 2.840) 3.521 4.566 ( 1.571 -1.182 -0.779) 2.115 4.591 ( -2.923 -0.861 2.835) 4.162 4.694 ( 6.276 -0.044 0.485) 6.295 4.725 ( 5.696 -3.260 0.075) 6.564 4.850 ( -2.895 0.017 0.869) 3.023 4.880 ( -2.318 -2.715 1.061) 3.725 4.932 ( 2.614 2.660 0.799) 3.814 4.964 ( 1.610 -0.206 4.599) 4.877 5.004 ( 2.365 1.690 1.602) 3.319 5.069 ( 2.255 -2.828 3.549) 5.068 5.112 ( -4.658 3.056 -1.365) 5.736 5.157 ( -0.948 -0.808 -1.335) 1.825 5.193 ( 2.897 0.162 -2.173) 3.625 5.205 ( 5.492 -0.514 0.200) 5.519 5.304 ( -0.246 2.802 -3.363) 4.385 5.361 ( -0.197 1.417 -2.832) 3.173 5.371 ( 0.726 -1.970 -2.231) 3.064 5.403 ( 0.696 -2.407 -1.217) 2.785 5.480 ( -0.495 1.519 -0.048) 1.599 5.503 ( -1.501 -0.517 -0.014) 1.588 5.539 ( -1.553 1.286 0.027) 2.017 5.584 ( -1.349 -1.925 -1.453) 2.764 5.609 ( 0.360 1.404 -4.146) 4.393 5.624 ( -0.654 0.899 -2.805) 3.018 5.655 ( -5.804 1.213 1.573) 6.135 5.687 ( -6.786 -1.572 3.045) 7.602 5.739 ( -1.742 0.633 2.665) 3.247 5.790 ( -3.248 -2.692 1.737) 4.562 5.944 ( -0.990 1.858 -1.496) 2.583 5.956 ( -2.728 0.259 -1.890) 3.329 6.074 ( 3.102 5.788 -2.364) 6.979 6.118 ( -3.906 7.546 2.296) 8.801 6.222 ( 3.910 -5.232 -1.089) 6.622 6.301 ( -4.084 -7.729 1.701) 8.906 6.366 ( -1.717 4.951 1.353) 5.412 6.397 ( -1.598 4.273 -1.419) 4.778 6.531 ( 3.241 -6.652 -0.005) 7.399 6.611 ( -5.764 -9.639 1.705) 11.360 6.948 ( 1.505 2.455 0.498) 2.922 6.962 ( 0.985 1.401 3.261) 3.683 7.030 ( -4.687 4.337 1.697) 6.608 7.125 ( -4.077 -4.086 -3.954) 6.997 7.327 ( -0.865 0.456 0.736) 1.224 7.328 ( 0.084 0.318 -0.558) 0.648 7.386 ( -0.626 2.037 0.607) 2.216 7.412 ( -1.392 -0.443 -0.678) 1.610 ======================= Grid point 53 (34/36) ======================= q-point: (-0.43 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 5.885 3.257 -0.351) 6.736 0.564 ( 7.681 -2.394 1.832) 8.251 0.613 ( 4.452 3.275 -4.814) 7.329 0.738 ( 3.248 -5.901 -7.954) 10.423 1.080 ( -6.825 2.270 -0.426) 7.205 1.121 ( -2.168 -1.098 0.218) 2.440 1.259 ( 0.630 1.321 -3.566) 3.855 1.280 ( 4.917 0.386 -4.861) 6.925 1.326 ( -1.914 -0.788 -0.849) 2.237 1.377 ( -0.049 -4.721 -0.935) 4.813 1.401 ( -2.696 1.774 4.478) 5.520 1.456 ( -1.374 -2.609 3.145) 4.311 1.482 ( -6.052 4.870 -4.062) 8.766 1.573 ( -2.169 -1.445 -0.815) 2.731 1.618 ( -1.804 5.322 0.419) 5.635 1.658 ( 4.142 1.059 -0.489) 4.303 1.660 ( 5.920 1.172 -0.518) 6.057 1.719 ( 1.350 6.905 1.843) 7.273 1.771 ( -1.520 -4.609 0.796) 4.918 1.831 ( -1.837 0.623 -0.036) 1.940 1.878 ( 4.934 2.436 2.411) 6.007 1.935 ( 0.755 2.877 2.061) 3.619 1.954 ( -6.920 -4.919 -2.759) 8.927 2.007 ( 3.299 2.417 4.255) 5.902 2.062 ( 1.793 0.114 1.632) 2.427 2.139 ( -0.798 -3.111 0.780) 3.305 2.164 ( 0.418 0.210 1.508) 1.579 2.189 ( -1.092 -1.499 2.056) 2.769 2.225 ( -2.082 -1.841 0.912) 2.925 2.275 ( 3.334 -6.409 -3.084) 7.855 2.369 ( 0.831 -0.165 -1.160) 1.437 2.390 ( 2.520 -2.238 -0.887) 3.486 2.464 ( -2.798 1.133 4.551) 5.461 2.470 ( -4.612 0.604 1.376) 4.851 2.586 ( 1.851 0.814 -0.259) 2.038 2.610 ( 3.377 -0.379 1.480) 3.706 2.739 ( 0.254 1.266 2.714) 3.006 2.772 ( 0.680 -1.780 5.042) 5.390 2.807 ( -4.509 0.831 -5.611) 7.246 2.832 ( -2.943 -1.097 -3.912) 5.017 2.880 ( -0.194 1.892 0.414) 1.947 2.912 ( -1.149 -1.162 0.142) 1.640 2.926 ( -0.508 0.816 0.488) 1.078 2.951 ( -0.031 -1.313 2.476) 2.803 2.985 ( -2.642 3.256 -1.778) 4.554 3.043 ( -2.009 -1.822 -4.017) 4.847 3.071 ( 0.074 2.007 -0.782) 2.155 3.097 ( -0.051 0.421 -0.194) 0.466 3.165 ( -1.042 1.640 1.845) 2.680 3.211 ( -1.553 -0.374 2.185) 2.706 3.221 ( 1.155 -0.345 -0.179) 1.219 3.251 ( -2.267 -1.643 -2.848) 3.994 3.282 ( -0.700 1.318 -0.950) 1.769 3.300 ( 0.924 -0.854 -1.196) 1.736 3.454 ( -0.394 1.230 0.180) 1.304 3.502 ( -0.966 -2.733 -5.082) 5.851 3.620 ( -1.877 0.257 0.986) 2.135 3.624 ( -2.632 0.015 -0.330) 2.653 3.783 ( -0.638 -0.731 1.835) 2.075 3.785 ( -1.974 -0.788 2.057) 2.957 3.901 ( -2.930 2.471 1.080) 3.982 3.940 ( -4.798 -0.764 -3.366) 5.911 4.007 ( -3.675 -0.331 1.849) 4.127 4.018 ( -5.395 -0.915 -0.744) 5.522 4.131 ( -1.913 1.986 1.312) 3.054 4.160 ( -1.331 -0.182 1.540) 2.044 4.228 ( -3.767 0.446 0.658) 3.850 4.248 ( -2.502 -1.134 -0.196) 2.755 4.336 ( -1.357 1.364 2.011) 2.783 4.361 ( -2.017 0.441 -0.808) 2.217 4.395 ( -3.256 1.344 2.419) 4.273 4.451 ( -2.251 -2.320 0.175) 3.238 4.475 ( -3.260 1.275 1.645) 3.868 4.516 ( -1.760 -1.885 2.971) 3.935 4.610 ( 3.364 3.172 -3.357) 5.714 4.671 ( 4.449 -1.170 -4.482) 6.423 4.704 ( -6.459 -0.135 -0.073) 6.461 4.744 ( -4.834 -3.419 -1.406) 6.086 4.836 ( 4.200 0.233 2.665) 4.980 4.875 ( 5.239 -3.600 1.889) 6.632 4.925 ( -3.882 2.589 0.511) 4.694 4.976 ( -3.525 -2.209 1.579) 4.450 5.062 ( 5.408 1.439 1.859) 5.896 5.068 ( 3.537 0.642 1.357) 3.843 5.138 ( -4.326 3.516 -4.789) 7.350 5.179 ( 1.242 1.903 -1.876) 2.947 5.201 ( 1.748 -1.080 -0.679) 2.164 5.217 ( -8.086 -1.712 -5.403) 9.874 5.283 ( -3.530 2.218 -0.721) 4.231 5.326 ( -0.405 1.381 0.485) 1.519 5.351 ( -3.104 -2.548 -0.228) 4.022 5.381 ( -0.380 -2.428 1.521) 2.890 5.483 ( 0.023 0.332 -0.355) 0.486 5.490 ( 1.495 -0.175 1.210) 1.931 5.528 ( 0.023 0.712 1.692) 1.836 5.555 ( 4.024 -1.311 1.158) 4.387 5.559 ( -0.313 1.038 0.554) 1.217 5.569 ( 0.160 1.167 0.556) 1.302 5.685 ( 3.886 2.404 -0.743) 4.629 5.727 ( 4.497 -2.157 -0.096) 4.988 5.770 ( 1.153 0.391 -0.847) 1.483 5.803 ( 5.703 -2.625 0.410) 6.292 5.946 ( 3.076 4.572 -1.438) 5.695 5.977 ( 2.664 0.513 -4.229) 5.024 6.035 ( -2.808 3.584 1.132) 4.691 6.162 ( 2.922 3.562 -1.359) 4.803 6.198 ( -2.011 -2.759 1.012) 3.561 6.317 ( 3.173 -3.712 0.719) 4.936 6.366 ( 2.266 0.948 -0.272) 2.471 6.404 ( 1.775 5.283 -1.166) 5.694 6.499 ( -4.126 -6.732 3.003) 8.448 6.610 ( 3.127 -8.611 2.040) 9.385 6.880 ( -4.083 5.957 3.976) 8.244 6.981 ( 1.050 -3.696 3.502) 5.199 7.092 ( 7.112 2.001 -2.654) 7.850 7.126 ( 3.672 -1.175 -4.450) 5.888 7.321 ( 0.411 1.534 0.083) 1.590 7.345 ( 1.249 -0.550 -1.119) 1.765 7.395 ( 1.441 0.896 0.950) 1.944 7.399 ( 0.418 0.583 -0.689) 0.995 ======================= Grid point 54 (35/36) ======================= q-point: (-0.29 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 8.484 4.489 2.559) 9.934 0.724 ( 7.239 -2.594 2.593) 8.115 0.805 ( 2.276 2.937 3.496) 5.102 0.836 ( 13.275 -0.667 -3.407) 13.721 0.952 ( -3.712 1.872 1.056) 4.290 1.046 ( -4.508 -5.127 0.008) 6.827 1.180 ( -5.329 -0.020 -4.090) 6.718 1.229 ( -4.260 -4.088 -2.622) 6.460 1.302 ( -5.451 5.487 0.729) 7.769 1.340 ( -0.464 1.649 -2.998) 3.453 1.412 ( -1.523 4.696 -1.680) 5.215 1.436 ( -0.776 -0.644 -0.181) 1.024 1.497 ( 0.226 4.608 -3.944) 6.069 1.517 ( 3.105 -3.389 -3.806) 5.968 1.583 ( 0.487 -5.160 -2.866) 5.923 1.658 ( -2.024 -6.781 -1.854) 7.315 1.699 ( -2.040 4.547 -0.588) 5.018 1.725 ( -2.474 3.965 1.897) 5.044 1.787 ( 1.901 -0.273 2.369) 3.049 1.829 ( 0.668 -2.747 -0.627) 2.895 1.900 ( 1.623 3.877 1.378) 4.424 1.940 ( 1.915 1.738 2.129) 3.350 1.993 ( 0.203 -0.200 5.649) 5.657 2.048 ( -0.097 -1.264 -0.081) 1.270 2.103 ( 1.557 1.569 3.434) 4.084 2.133 ( 4.484 1.547 0.879) 4.824 2.166 ( 1.167 -0.178 2.931) 3.160 2.200 ( 0.323 1.361 -0.034) 1.399 2.247 ( 1.754 -0.347 2.730) 3.264 2.299 ( -1.436 0.316 4.973) 5.186 2.326 ( -5.161 -1.288 -0.567) 5.349 2.398 ( 2.704 -4.956 0.520) 5.669 2.431 ( -1.350 0.099 2.422) 2.775 2.470 ( 2.911 -4.264 -0.591) 5.196 2.565 ( -3.276 -2.255 -1.184) 4.150 2.598 ( -5.143 -3.467 1.190) 6.316 2.676 ( -5.919 0.118 -4.759) 7.595 2.719 ( -2.066 0.290 -1.627) 2.646 2.754 ( -3.461 0.056 -3.934) 5.240 2.791 ( -2.361 -2.343 -2.924) 4.429 2.819 ( -2.827 3.890 -0.451) 4.830 2.864 ( -1.840 3.892 -1.638) 4.606 2.913 ( -1.030 -1.864 -0.251) 2.144 2.938 ( -1.487 0.061 -1.471) 2.092 2.966 ( -0.912 0.856 -1.176) 1.716 2.982 ( -1.934 -1.068 2.739) 3.519 3.053 ( -1.988 1.920 -0.043) 2.764 3.065 ( -3.157 1.235 1.544) 3.725 3.120 ( -3.388 1.555 -0.561) 3.770 3.166 ( -3.794 -1.122 1.536) 4.245 3.194 ( -2.179 2.120 -0.180) 3.046 3.235 ( 0.175 -1.317 -0.849) 1.577 3.285 ( 1.305 2.327 1.317) 2.975 3.336 ( 2.046 -2.269 -0.804) 3.159 3.420 ( -2.730 0.353 0.070) 2.754 3.446 ( -4.171 -1.628 -4.591) 6.413 3.538 ( -4.517 0.755 0.862) 4.660 3.551 ( -4.045 -0.545 0.227) 4.088 3.699 ( -6.023 1.839 3.477) 7.193 3.742 ( -5.718 -1.509 -1.801) 6.182 3.762 ( -8.727 0.872 -1.572) 8.910 3.786 ( -7.665 -1.197 -0.745) 7.794 3.877 ( -6.156 -0.262 1.017) 6.245 3.891 ( -5.627 -1.097 -0.326) 5.743 4.061 ( -4.193 1.751 0.673) 4.594 4.096 ( -4.568 -1.860 2.032) 5.335 4.146 ( -3.793 1.807 1.181) 4.364 4.187 ( -1.751 -1.082 -1.874) 2.784 4.289 ( -4.273 1.999 2.398) 5.292 4.303 ( -3.509 0.893 4.385) 5.686 4.307 ( -4.164 1.276 -0.446) 4.378 4.349 ( -6.747 -1.998 2.036) 7.325 4.429 ( -2.781 1.733 1.671) 3.679 4.487 ( -1.880 -2.743 1.398) 3.607 4.552 ( -4.916 2.191 -1.682) 5.639 4.596 ( -3.432 -0.467 -1.818) 3.912 4.703 ( -0.628 -1.383 -3.994) 4.273 4.739 ( 1.717 -3.335 -3.066) 4.845 4.847 ( -5.085 3.343 -3.502) 7.021 4.883 ( -1.391 0.842 2.697) 3.149 4.902 ( -0.226 -0.151 -0.193) 0.333 4.956 ( -1.019 -3.043 2.448) 4.036 5.017 ( -4.262 0.164 -1.710) 4.595 5.025 ( -3.475 -0.346 -0.937) 3.616 5.127 ( 0.325 -0.716 -2.927) 3.031 5.133 ( 0.539 -1.207 1.384) 1.914 5.216 ( 1.698 1.445 2.387) 3.267 5.218 ( 2.736 0.251 -0.445) 2.784 5.281 ( 1.443 0.895 -0.959) 1.950 5.309 ( 1.798 0.831 -0.889) 2.171 5.368 ( 2.413 0.830 0.422) 2.586 5.401 ( 3.739 0.995 1.635) 4.200 5.482 ( 0.157 1.491 -0.857) 1.727 5.500 ( 0.390 -0.085 0.977) 1.055 5.577 ( 0.700 -0.471 -0.121) 0.852 5.591 ( 2.452 -0.696 1.442) 2.929 5.611 ( 4.105 0.742 2.187) 4.710 5.661 ( 3.415 -2.950 0.912) 4.604 5.736 ( 1.199 1.684 0.026) 2.067 5.765 ( -0.102 -0.577 -2.208) 2.284 5.846 ( 5.276 1.687 1.186) 5.664 5.906 ( 3.441 -3.619 0.206) 4.998 5.983 ( 0.309 2.753 2.220) 3.550 6.035 ( 1.741 0.884 -0.370) 1.987 6.059 ( 4.447 0.127 -3.009) 5.371 6.172 ( 1.353 -7.089 0.540) 7.237 6.250 ( 2.529 5.946 -3.071) 7.155 6.371 ( -0.550 -4.352 -1.900) 4.781 6.388 ( 2.542 1.499 -0.576) 3.007 6.454 ( 1.701 -2.452 -0.169) 2.989 6.476 ( 1.224 5.418 2.675) 6.165 6.628 ( -2.005 -5.748 4.287) 7.445 6.855 ( 3.318 9.343 3.642) 10.562 7.040 ( 4.263 -7.353 -1.415) 8.616 7.259 ( 8.926 0.416 -1.368) 9.040 7.268 ( 8.662 -0.255 0.502) 8.680 7.344 ( 1.783 2.216 -0.160) 2.848 7.377 ( 2.150 -0.636 -1.148) 2.519 7.431 ( 2.317 0.811 -1.013) 2.656 7.442 ( 3.188 0.213 -0.240) 3.204 ======================= Grid point 55 (36/36) ======================= q-point: (-0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -3.553 8.632 8.466) 12.602 0.789 ( 3.983 7.118 10.400) 13.217 0.897 ( -0.877 0.810 8.046) 8.134 0.911 ( 9.709 -1.325 -0.565) 9.815 0.962 ( -2.990 -7.568 4.497) 9.297 1.076 ( 4.120 -9.462 5.158) 11.537 1.106 ( -4.955 6.644 -7.694) 11.309 1.149 ( 1.179 1.101 -10.163) 10.291 1.228 ( 0.323 -3.396 -6.788) 7.597 1.290 ( -7.460 -5.288 -4.226) 10.074 1.341 ( -2.663 1.937 -6.882) 7.630 1.441 ( -0.293 -5.457 -3.538) 6.510 1.459 ( -2.804 6.971 -1.356) 7.635 1.536 ( 4.214 5.075 1.015) 6.674 1.588 ( -3.366 7.964 0.616) 8.668 1.651 ( -2.531 -2.398 -2.028) 4.033 1.687 ( 2.486 -1.969 -0.663) 3.240 1.715 ( -0.433 3.601 1.471) 3.914 1.765 ( 0.544 1.182 6.309) 6.442 1.841 ( -0.161 1.728 -1.176) 2.097 1.918 ( -2.288 0.763 3.593) 4.328 1.945 ( 3.914 -4.860 0.547) 6.264 2.035 ( 0.293 -4.562 0.373) 4.586 2.053 ( 0.795 2.175 3.316) 4.045 2.097 ( -1.776 -0.962 0.480) 2.076 2.141 ( -2.057 0.213 2.477) 3.227 2.172 ( -1.826 -2.908 1.441) 3.724 2.194 ( 0.141 2.376 -0.954) 2.564 2.229 ( -2.027 0.123 -1.133) 2.326 2.276 ( -1.432 1.267 -0.878) 2.104 2.347 ( 0.811 2.559 -0.095) 2.686 2.406 ( 2.014 -3.256 2.253) 4.443 2.438 ( -4.361 -2.227 -0.670) 4.943 2.496 ( 2.495 -0.069 3.446) 4.255 2.513 ( -1.491 -5.845 -0.117) 6.033 2.546 ( 3.753 -3.433 4.193) 6.592 2.562 ( -4.822 -1.059 -3.846) 6.258 2.655 ( -4.433 0.282 -3.032) 5.378 2.679 ( -2.513 -4.489 -4.394) 6.766 2.690 ( -3.406 0.327 -4.385) 5.562 2.769 ( -4.335 3.289 -0.444) 5.459 2.832 ( -3.252 -0.723 -0.588) 3.382 2.879 ( 0.685 1.541 2.250) 2.812 2.905 ( -1.393 1.066 2.361) 2.942 2.925 ( -4.840 0.497 -0.825) 4.935 2.946 ( -1.119 0.256 -0.755) 1.373 3.001 ( -1.372 1.791 0.780) 2.387 3.040 ( 1.338 0.248 0.123) 1.367 3.055 ( -2.781 1.945 1.674) 3.784 3.080 ( -2.700 0.121 -1.486) 3.084 3.138 ( -3.081 4.193 -1.429) 5.396 3.221 ( -1.249 -2.030 -3.582) 4.302 3.307 ( -1.204 2.494 2.807) 3.944 3.329 ( -2.427 2.058 -0.622) 3.242 3.356 ( -2.725 -1.366 2.210) 3.765 3.392 ( 0.550 -2.638 -1.645) 3.157 3.470 ( -2.049 1.482 0.465) 2.571 3.497 ( -2.023 -0.171 -0.960) 2.246 3.543 ( -6.541 1.901 -2.041) 7.111 3.604 ( -6.010 -1.453 -2.342) 6.611 3.611 ( -3.356 -0.982 -0.635) 3.554 3.644 ( -4.666 -1.629 -1.286) 5.106 3.801 ( -3.063 1.217 0.180) 3.301 3.823 ( -0.614 -0.966 -0.928) 1.474 3.984 ( -2.346 0.566 2.693) 3.616 4.018 ( -1.959 -2.413 2.803) 4.185 4.078 ( -2.679 2.563 0.299) 3.719 4.143 ( -3.803 -2.362 -0.769) 4.542 4.173 ( -5.301 0.477 -0.351) 5.334 4.181 ( -7.192 -0.345 -0.477) 7.217 4.227 ( -3.063 2.226 2.758) 4.684 4.262 ( -1.081 -0.652 3.157) 3.400 4.348 ( -4.146 4.982 -1.920) 6.760 4.432 ( -2.996 -1.400 -1.971) 3.849 4.495 ( -0.974 -0.731 0.327) 1.261 4.537 ( -2.258 -3.233 -2.252) 4.541 4.681 ( -0.566 3.064 -0.670) 3.187 4.748 ( -3.518 4.494 -1.384) 5.872 4.772 ( 1.206 -4.878 0.086) 5.025 4.820 ( -3.315 -1.169 3.980) 5.310 4.876 ( -1.080 -0.934 1.754) 2.262 4.900 ( -2.330 -2.408 2.285) 4.056 4.998 ( 0.657 2.381 -1.930) 3.134 5.046 ( 2.999 -1.814 -2.480) 4.294 5.126 ( -0.121 0.030 -3.575) 3.577 5.144 ( 0.424 -1.156 0.405) 1.296 5.207 ( -0.993 2.748 -0.415) 2.952 5.253 ( -1.178 -1.096 -2.120) 2.662 5.364 ( 5.163 1.967 0.614) 5.559 5.397 ( 4.658 3.686 1.170) 6.054 5.423 ( 3.045 -2.805 2.074) 4.630 5.462 ( 1.303 0.145 1.290) 1.839 5.496 ( 1.866 -0.394 2.662) 3.274 5.525 ( 1.861 -0.978 -0.308) 2.125 5.585 ( 0.191 0.928 0.037) 0.949 5.640 ( 1.343 -0.103 1.826) 2.269 5.680 ( 2.298 -2.502 2.578) 4.265 5.698 ( 0.387 -1.813 -0.142) 1.859 5.728 ( -1.409 1.863 -2.864) 3.696 5.775 ( 0.756 -1.932 -1.573) 2.604 5.941 ( 3.327 0.310 0.660) 3.406 5.949 ( 2.527 -0.478 1.997) 3.256 6.028 ( 2.934 0.704 2.245) 3.760 6.079 ( 2.829 -2.147 0.689) 3.618 6.110 ( 0.053 0.415 -0.203) 0.465 6.180 ( -1.054 -3.614 0.222) 3.771 6.241 ( -3.549 3.207 -4.784) 6.765 6.310 ( -3.751 -2.270 -3.583) 5.662 6.447 ( 0.922 2.837 2.927) 4.179 6.496 ( 1.983 3.388 0.405) 3.946 6.512 ( 2.869 -3.267 -2.006) 4.789 6.567 ( -1.986 -1.011 1.864) 2.905 6.991 ( 7.037 7.588 5.806) 11.866 7.137 ( 4.423 -4.521 -2.532) 6.813 7.373 ( 1.862 1.684 0.616) 2.585 7.385 ( 2.515 0.308 1.272) 2.835 7.431 ( 3.012 -0.086 0.397) 3.039 7.470 ( 2.160 -1.398 1.173) 2.827 7.481 ( 7.665 3.045 -1.608) 8.403 7.554 ( 6.963 -1.944 -4.256) 8.389 =================== 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 3/12600 10.0 11.072 7.713 7.421 0.000 0.175 0.000 3/12600 20.0 3.167 2.033 2.371 0.000 0.040 0.000 3/12600 30.0 1.749 1.106 1.369 0.000 0.026 0.000 3/12600 40.0 1.207 0.758 0.959 0.000 0.020 0.000 3/12600 50.0 0.931 0.581 0.742 0.000 0.017 0.000 3/12600 60.0 0.766 0.474 0.608 0.000 0.015 0.000 3/12600 70.0 0.655 0.404 0.518 0.000 0.013 0.000 3/12600 80.0 0.576 0.353 0.452 0.000 0.012 0.000 3/12600 90.0 0.515 0.315 0.402 0.000 0.011 0.000 3/12600 100.0 0.467 0.285 0.363 0.000 0.010 0.000 3/12600 110.0 0.427 0.260 0.331 0.000 0.009 0.000 3/12600 120.0 0.394 0.240 0.304 0.000 0.009 0.000 3/12600 130.0 0.366 0.222 0.282 0.000 0.008 0.000 3/12600 140.0 0.341 0.207 0.262 0.000 0.008 0.000 3/12600 150.0 0.320 0.194 0.245 0.000 0.007 0.000 3/12600 160.0 0.301 0.183 0.231 0.000 0.007 0.000 3/12600 170.0 0.285 0.173 0.217 0.000 0.007 0.000 3/12600 180.0 0.270 0.164 0.206 0.000 0.006 0.000 3/12600 190.0 0.256 0.155 0.195 0.000 0.006 0.000 3/12600 200.0 0.244 0.148 0.186 0.000 0.006 0.000 3/12600 210.0 0.233 0.141 0.177 0.000 0.005 0.000 3/12600 220.0 0.223 0.135 0.169 0.000 0.005 0.000 3/12600 230.0 0.214 0.129 0.162 0.000 0.005 0.000 3/12600 240.0 0.205 0.124 0.156 0.000 0.005 0.000 3/12600 250.0 0.197 0.119 0.149 0.000 0.005 0.000 3/12600 260.0 0.190 0.115 0.144 0.000 0.005 0.000 3/12600 270.0 0.183 0.111 0.139 0.000 0.004 0.000 3/12600 280.0 0.177 0.107 0.134 0.000 0.004 0.000 3/12600 290.0 0.171 0.103 0.129 0.000 0.004 0.000 3/12600 300.0 0.165 0.100 0.125 0.000 0.004 0.000 3/12600 310.0 0.160 0.097 0.121 0.000 0.004 0.000 3/12600 320.0 0.155 0.094 0.117 0.000 0.004 0.000 3/12600 330.0 0.151 0.091 0.114 0.000 0.004 0.000 3/12600 340.0 0.146 0.089 0.110 0.000 0.004 0.000 3/12600 350.0 0.142 0.086 0.107 0.000 0.003 0.000 3/12600 360.0 0.138 0.084 0.104 0.000 0.003 0.000 3/12600 370.0 0.135 0.082 0.102 0.000 0.003 0.000 3/12600 380.0 0.131 0.079 0.099 0.000 0.003 0.000 3/12600 390.0 0.128 0.077 0.096 0.000 0.003 0.000 3/12600 400.0 0.125 0.076 0.094 0.000 0.003 0.000 3/12600 410.0 0.122 0.074 0.092 0.000 0.003 0.000 3/12600 420.0 0.119 0.072 0.090 0.000 0.003 0.000 3/12600 430.0 0.116 0.070 0.088 0.000 0.003 0.000 3/12600 440.0 0.114 0.069 0.086 0.000 0.003 0.000 3/12600 450.0 0.111 0.067 0.084 0.000 0.003 0.000 3/12600 460.0 0.109 0.066 0.082 0.000 0.003 0.000 3/12600 470.0 0.107 0.064 0.080 0.000 0.003 0.000 3/12600 480.0 0.104 0.063 0.079 0.000 0.003 0.000 3/12600 490.0 0.102 0.062 0.077 0.000 0.002 0.000 3/12600 500.0 0.100 0.061 0.075 0.000 0.002 0.000 3/12600 510.0 0.098 0.059 0.074 0.000 0.002 0.000 3/12600 520.0 0.096 0.058 0.073 0.000 0.002 0.000 3/12600 530.0 0.095 0.057 0.071 0.000 0.002 0.000 3/12600 540.0 0.093 0.056 0.070 0.000 0.002 0.000 3/12600 550.0 0.091 0.055 0.069 0.000 0.002 0.000 3/12600 560.0 0.090 0.054 0.067 0.000 0.002 0.000 3/12600 570.0 0.088 0.053 0.066 0.000 0.002 0.000 3/12600 580.0 0.087 0.052 0.065 0.000 0.002 0.000 3/12600 590.0 0.085 0.051 0.064 0.000 0.002 0.000 3/12600 600.0 0.084 0.051 0.063 0.000 0.002 0.000 3/12600 610.0 0.082 0.050 0.062 0.000 0.002 0.000 3/12600 620.0 0.081 0.049 0.061 0.000 0.002 0.000 3/12600 630.0 0.080 0.048 0.060 0.000 0.002 0.000 3/12600 640.0 0.079 0.047 0.059 0.000 0.002 0.000 3/12600 650.0 0.077 0.047 0.058 0.000 0.002 0.000 3/12600 660.0 0.076 0.046 0.057 0.000 0.002 0.000 3/12600 670.0 0.075 0.045 0.056 0.000 0.002 0.000 3/12600 680.0 0.074 0.045 0.056 0.000 0.002 0.000 3/12600 690.0 0.073 0.044 0.055 0.000 0.002 0.000 3/12600 700.0 0.072 0.043 0.054 0.000 0.002 0.000 3/12600 710.0 0.071 0.043 0.053 0.000 0.002 0.000 3/12600 720.0 0.070 0.042 0.053 0.000 0.002 0.000 3/12600 730.0 0.069 0.042 0.052 0.000 0.002 0.000 3/12600 740.0 0.068 0.041 0.051 0.000 0.002 0.000 3/12600 750.0 0.067 0.041 0.050 0.000 0.002 0.000 3/12600 760.0 0.066 0.040 0.050 0.000 0.002 0.000 3/12600 770.0 0.065 0.040 0.049 0.000 0.002 0.000 3/12600 780.0 0.065 0.039 0.049 0.000 0.002 0.000 3/12600 790.0 0.064 0.039 0.048 0.000 0.002 0.000 3/12600 800.0 0.063 0.038 0.047 0.000 0.002 0.000 3/12600 810.0 0.062 0.038 0.047 0.000 0.002 0.000 3/12600 820.0 0.061 0.037 0.046 0.000 0.001 0.000 3/12600 830.0 0.061 0.037 0.046 0.000 0.001 0.000 3/12600 840.0 0.060 0.036 0.045 0.000 0.001 0.000 3/12600 850.0 0.059 0.036 0.045 0.000 0.001 0.000 3/12600 860.0 0.059 0.035 0.044 0.000 0.001 0.000 3/12600 870.0 0.058 0.035 0.044 0.000 0.001 0.000 3/12600 880.0 0.057 0.035 0.043 0.000 0.001 0.000 3/12600 890.0 0.057 0.034 0.043 0.000 0.001 0.000 3/12600 900.0 0.056 0.034 0.042 0.000 0.001 0.000 3/12600 910.0 0.055 0.033 0.042 0.000 0.001 0.000 3/12600 920.0 0.055 0.033 0.041 0.000 0.001 0.000 3/12600 930.0 0.054 0.033 0.041 0.000 0.001 0.000 3/12600 940.0 0.054 0.032 0.040 0.000 0.001 0.000 3/12600 950.0 0.053 0.032 0.040 0.000 0.001 0.000 3/12600 960.0 0.053 0.032 0.039 0.000 0.001 0.000 3/12600 970.0 0.052 0.031 0.039 0.000 0.001 0.000 3/12600 980.0 0.051 0.031 0.039 0.000 0.001 0.000 3/12600 990.0 0.051 0.031 0.038 0.000 0.001 0.000 3/12600 1000.0 0.050 0.030 0.038 0.000 0.001 0.000 3/12600 Thermal conductivity related properties were written into "kappa-m735.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:01:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|