----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:22:04]------------------------- 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: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.046515229999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.672881489999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.698682619999998 Atomic positions (fractional): *1 O 0.65893608159488 0.13449821075547 0.50284119356525 15.999 2 O 0.15893608159488 0.36550178924453 0.49715880643475 15.999 3 O 0.34106391840512 0.63449821075547 0.99715880643475 15.999 4 O 0.84106391840512 0.86550178924453 0.00284119356525 15.999 5 O 0.34106391840512 0.86550178924453 0.49715880643475 15.999 6 O 0.84106391840512 0.63449821075547 0.50284119356525 15.999 7 O 0.65893608159488 0.36550178924453 0.00284119356525 15.999 8 O 0.15893608159488 0.13449821075547 0.99715880643475 15.999 *9 O 0.85787817375351 0.31579278096637 0.58888607475206 15.999 10 O 0.35787817375351 0.18420721903363 0.41111392524794 15.999 11 O 0.14212182624649 0.81579278096637 0.91111392524794 15.999 12 O 0.64212182624649 0.68420721903363 0.08888607475206 15.999 13 O 0.14212182624649 0.68420721903363 0.41111392524794 15.999 14 O 0.64212182624649 0.81579278096637 0.58888607475206 15.999 15 O 0.85787817375351 0.18420721903363 0.08888607475206 15.999 16 O 0.35787817375351 0.31579278096637 0.91111392524794 15.999 *17 O 0.13866018111431 0.15185264197788 0.60356645796326 15.999 *18 O 0.14181916687526 0.40225809640713 0.67656029971994 15.999 19 O 0.63866018111431 0.34814735802212 0.39643354203674 15.999 20 O 0.36133981888569 0.84814735802212 0.10356645796326 15.999 21 O 0.86133981888569 0.84814735802212 0.39643354203674 15.999 22 O 0.36133981888569 0.65185264197788 0.60356645796326 15.999 23 O 0.13866018111431 0.34814735802212 0.10356645796326 15.999 24 O 0.63866018111431 0.15185264197788 0.89643354203674 15.999 *25 O 0.01384644610031 0.29685443616596 0.87258383162913 15.999 26 O 0.51384644610031 0.20314556383404 0.12741616837087 15.999 27 O 0.98615355389969 0.79685443616596 0.62741616837087 15.999 28 O 0.48615355389969 0.70314556383404 0.37258383162913 15.999 29 O 0.98615355389969 0.70314556383404 0.12741616837087 15.999 30 O 0.48615355389969 0.79685443616596 0.87258383162913 15.999 31 O 0.01384644610031 0.20314556383404 0.37258383162913 15.999 32 O 0.51384644610031 0.29685443616596 0.62741616837087 15.999 *33 O 0.24238800191437 0.09964144337533 0.82196882602366 15.999 34 O 0.74238800191437 0.40035855662467 0.17803117397633 15.999 35 O 0.75761199808563 0.59964144337533 0.67803117397634 15.999 36 O 0.25761199808563 0.90035855662467 0.32196882602367 15.999 37 O 0.75761199808563 0.90035855662467 0.17803117397633 15.999 38 O 0.25761199808563 0.59964144337533 0.82196882602366 15.999 39 O 0.24238800191437 0.40035855662467 0.32196882602367 15.999 40 O 0.74238800191437 0.09964144337533 0.67803117397634 15.999 41 O 0.64181916687527 0.40225809640713 0.82343970028006 15.999 42 O 0.14181916687526 0.09774190359287 0.17656029971994 15.999 43 O 0.35818083312473 0.90225809640713 0.67656029971994 15.999 44 O 0.85818083312473 0.59774190359287 0.32343970028006 15.999 45 O 0.35818083312473 0.59774190359287 0.17656029971994 15.999 46 O 0.85818083312473 0.90225809640713 0.82343970028006 15.999 47 O 0.64181916687527 0.09774190359287 0.32343970028006 15.999 48 O 0.86133981888569 0.65185264197788 0.89643354203674 15.999 *49 P 0.08469823699654 0.30062125617835 0.59780031684919 30.974 50 P 0.58469823699654 0.19937874382165 0.40219968315081 30.974 51 P 0.91530176300346 0.80062125617835 0.90219968315081 30.974 52 P 0.41530176300346 0.69937874382165 0.09780031684920 30.974 53 P 0.91530176300346 0.69937874382165 0.40219968315081 30.974 54 P 0.41530176300346 0.80062125617835 0.59780031684919 30.974 55 P 0.08469823699654 0.19937874382165 0.09780031684920 30.974 56 P 0.58469823699654 0.30062125617835 0.90219968315081 30.974 *57 P 0.68471867950557 0.21107810899888 0.60646305785459 30.974 58 P 0.18471867950557 0.28892189100112 0.39353694214541 30.974 59 P 0.31528132049443 0.71107810899888 0.89353694214541 30.974 60 P 0.81528132049443 0.78892189100112 0.10646305785459 30.974 61 P 0.31528132049443 0.78892189100112 0.39353694214541 30.974 62 P 0.81528132049443 0.71107810899888 0.60646305785459 30.974 63 P 0.68471867950557 0.28892189100112 0.10646305785459 30.974 64 P 0.18471867950557 0.21107810899888 0.89353694214541 30.974 *65 Cd 0.54973390009276 0.99224673795994 0.79376836709569 112.411 66 Cd 0.04973390009276 0.50775326204006 0.20623163290431 112.411 67 Cd 0.45026609990724 0.49224673795994 0.70623163290431 112.411 68 Cd 0.95026609990724 0.00775326204006 0.29376836709569 112.411 69 Cd 0.45026609990724 0.00775326204006 0.20623163290431 112.411 70 Cd 0.95026609990724 0.49224673795994 0.79376836709569 112.411 71 Cd 0.54973390009276 0.50775326204006 0.29376836709569 112.411 72 Cd 0.04973390009276 0.99224673795994 0.70623163290431 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.046515229999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.672881489999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.698682619999998 Atomic positions (fractional): *1 O 0.65893608159488 0.13449821075547 0.50284119356525 15.999 > 1 2 O 0.15893608159488 0.36550178924453 0.49715880643475 15.999 > 2 3 O 0.34106391840512 0.63449821075547 0.99715880643475 15.999 > 3 4 O 0.84106391840512 0.86550178924453 0.00284119356525 15.999 > 4 5 O 0.34106391840512 0.86550178924453 0.49715880643475 15.999 > 5 6 O 0.84106391840512 0.63449821075547 0.50284119356525 15.999 > 6 7 O 0.65893608159488 0.36550178924453 0.00284119356525 15.999 > 7 8 O 0.15893608159488 0.13449821075547 0.99715880643475 15.999 > 8 *9 O 0.85787817375351 0.31579278096637 0.58888607475206 15.999 > 9 10 O 0.35787817375351 0.18420721903363 0.41111392524794 15.999 > 10 11 O 0.14212182624649 0.81579278096637 0.91111392524794 15.999 > 11 12 O 0.64212182624649 0.68420721903363 0.08888607475206 15.999 > 12 13 O 0.14212182624649 0.68420721903363 0.41111392524794 15.999 > 13 14 O 0.64212182624649 0.81579278096637 0.58888607475206 15.999 > 14 15 O 0.85787817375351 0.18420721903363 0.08888607475206 15.999 > 15 16 O 0.35787817375351 0.31579278096637 0.91111392524794 15.999 > 16 *17 O 0.13866018111431 0.15185264197788 0.60356645796326 15.999 > 17 *18 O 0.14181916687526 0.40225809640713 0.67656029971994 15.999 > 18 19 O 0.63866018111431 0.34814735802212 0.39643354203674 15.999 > 19 20 O 0.36133981888569 0.84814735802212 0.10356645796326 15.999 > 20 21 O 0.86133981888569 0.84814735802212 0.39643354203674 15.999 > 21 22 O 0.36133981888569 0.65185264197788 0.60356645796326 15.999 > 22 23 O 0.13866018111431 0.34814735802212 0.10356645796326 15.999 > 23 24 O 0.63866018111431 0.15185264197788 0.89643354203674 15.999 > 24 *25 O 0.01384644610031 0.29685443616596 0.87258383162913 15.999 > 25 26 O 0.51384644610031 0.20314556383404 0.12741616837087 15.999 > 26 27 O 0.98615355389969 0.79685443616596 0.62741616837087 15.999 > 27 28 O 0.48615355389969 0.70314556383404 0.37258383162913 15.999 > 28 29 O 0.98615355389969 0.70314556383404 0.12741616837087 15.999 > 29 30 O 0.48615355389969 0.79685443616596 0.87258383162913 15.999 > 30 31 O 0.01384644610031 0.20314556383404 0.37258383162913 15.999 > 31 32 O 0.51384644610031 0.29685443616596 0.62741616837087 15.999 > 32 *33 O 0.24238800191437 0.09964144337533 0.82196882602366 15.999 > 33 34 O 0.74238800191437 0.40035855662467 0.17803117397633 15.999 > 34 35 O 0.75761199808563 0.59964144337533 0.67803117397634 15.999 > 35 36 O 0.25761199808563 0.90035855662467 0.32196882602367 15.999 > 36 37 O 0.75761199808563 0.90035855662467 0.17803117397633 15.999 > 37 38 O 0.25761199808563 0.59964144337533 0.82196882602366 15.999 > 38 39 O 0.24238800191437 0.40035855662467 0.32196882602367 15.999 > 39 40 O 0.74238800191437 0.09964144337533 0.67803117397634 15.999 > 40 41 O 0.64181916687527 0.40225809640713 0.82343970028006 15.999 > 41 42 O 0.14181916687526 0.09774190359287 0.17656029971994 15.999 > 42 43 O 0.35818083312473 0.90225809640713 0.67656029971994 15.999 > 43 44 O 0.85818083312473 0.59774190359287 0.32343970028006 15.999 > 44 45 O 0.35818083312473 0.59774190359287 0.17656029971994 15.999 > 45 46 O 0.85818083312473 0.90225809640713 0.82343970028006 15.999 > 46 47 O 0.64181916687527 0.09774190359287 0.32343970028006 15.999 > 47 48 O 0.86133981888569 0.65185264197788 0.89643354203674 15.999 > 48 *49 P 0.08469823699654 0.30062125617835 0.59780031684919 30.974 > 49 50 P 0.58469823699654 0.19937874382165 0.40219968315081 30.974 > 50 51 P 0.91530176300346 0.80062125617835 0.90219968315081 30.974 > 51 52 P 0.41530176300346 0.69937874382165 0.09780031684920 30.974 > 52 53 P 0.91530176300346 0.69937874382165 0.40219968315081 30.974 > 53 54 P 0.41530176300346 0.80062125617835 0.59780031684919 30.974 > 54 55 P 0.08469823699654 0.19937874382165 0.09780031684920 30.974 > 55 56 P 0.58469823699654 0.30062125617835 0.90219968315081 30.974 > 56 *57 P 0.68471867950557 0.21107810899888 0.60646305785459 30.974 > 57 58 P 0.18471867950557 0.28892189100112 0.39353694214541 30.974 > 58 59 P 0.31528132049443 0.71107810899888 0.89353694214541 30.974 > 59 60 P 0.81528132049443 0.78892189100112 0.10646305785459 30.974 > 60 61 P 0.31528132049443 0.78892189100112 0.39353694214541 30.974 > 61 62 P 0.81528132049443 0.71107810899888 0.60646305785459 30.974 > 62 63 P 0.68471867950557 0.28892189100112 0.10646305785459 30.974 > 63 64 P 0.18471867950557 0.21107810899888 0.89353694214541 30.974 > 64 *65 Cd 0.54973390009276 0.99224673795994 0.79376836709569 112.411 > 65 66 Cd 0.04973390009276 0.50775326204006 0.20623163290431 112.411 > 66 67 Cd 0.45026609990724 0.49224673795994 0.70623163290431 112.411 > 67 68 Cd 0.95026609990724 0.00775326204006 0.29376836709569 112.411 > 68 69 Cd 0.45026609990724 0.00775326204006 0.20623163290431 112.411 > 69 70 Cd 0.95026609990724 0.49224673795994 0.79376836709569 112.411 > 70 71 Cd 0.54973390009276 0.50775326204006 0.29376836709569 112.411 > 71 72 Cd 0.04973390009276 0.99224673795994 0.70623163290431 112.411 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.093030459999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.672881489999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.698682619999998 Atomic positions (fractional): *1 O 0.32946804079744 0.13449821075547 0.50284119356525 15.999 > 1 2 O 0.82946804079744 0.13449821075547 0.50284119356525 15.999 > 1 3 O 0.07946804079744 0.36550178924453 0.49715880643475 15.999 > 2 4 O 0.57946804079744 0.36550178924453 0.49715880643475 15.999 > 2 5 O 0.17053195920256 0.63449821075547 0.99715880643475 15.999 > 3 6 O 0.67053195920256 0.63449821075547 0.99715880643475 15.999 > 3 7 O 0.42053195920256 0.86550178924453 0.00284119356525 15.999 > 4 8 O 0.92053195920256 0.86550178924453 0.00284119356525 15.999 > 4 9 O 0.17053195920256 0.86550178924453 0.49715880643475 15.999 > 5 10 O 0.67053195920256 0.86550178924453 0.49715880643475 15.999 > 5 11 O 0.42053195920256 0.63449821075547 0.50284119356525 15.999 > 6 12 O 0.92053195920256 0.63449821075547 0.50284119356525 15.999 > 6 13 O 0.32946804079744 0.36550178924453 0.00284119356525 15.999 > 7 14 O 0.82946804079744 0.36550178924453 0.00284119356525 15.999 > 7 15 O 0.07946804079744 0.13449821075547 0.99715880643475 15.999 > 8 16 O 0.57946804079744 0.13449821075547 0.99715880643475 15.999 > 8 *17 O 0.42893908687676 0.31579278096637 0.58888607475206 15.999 > 9 18 O 0.92893908687676 0.31579278096637 0.58888607475206 15.999 > 9 19 O 0.17893908687676 0.18420721903363 0.41111392524794 15.999 > 10 20 O 0.67893908687676 0.18420721903363 0.41111392524794 15.999 > 10 21 O 0.07106091312324 0.81579278096637 0.91111392524794 15.999 > 11 22 O 0.57106091312324 0.81579278096637 0.91111392524794 15.999 > 11 23 O 0.32106091312324 0.68420721903363 0.08888607475206 15.999 > 12 24 O 0.82106091312324 0.68420721903363 0.08888607475206 15.999 > 12 25 O 0.07106091312324 0.68420721903363 0.41111392524794 15.999 > 13 26 O 0.57106091312324 0.68420721903363 0.41111392524794 15.999 > 13 27 O 0.32106091312324 0.81579278096637 0.58888607475206 15.999 > 14 28 O 0.82106091312324 0.81579278096637 0.58888607475206 15.999 > 14 29 O 0.42893908687676 0.18420721903363 0.08888607475206 15.999 > 15 30 O 0.92893908687676 0.18420721903363 0.08888607475206 15.999 > 15 31 O 0.17893908687676 0.31579278096637 0.91111392524794 15.999 > 16 32 O 0.67893908687676 0.31579278096637 0.91111392524794 15.999 > 16 *33 O 0.06933009055716 0.15185264197788 0.60356645796326 15.999 > 17 34 O 0.56933009055716 0.15185264197788 0.60356645796326 15.999 > 17 *35 O 0.07090958343763 0.40225809640713 0.67656029971994 15.999 > 18 36 O 0.57090958343763 0.40225809640713 0.67656029971994 15.999 > 18 37 O 0.31933009055716 0.34814735802212 0.39643354203674 15.999 > 19 38 O 0.81933009055716 0.34814735802212 0.39643354203674 15.999 > 19 39 O 0.18066990944284 0.84814735802212 0.10356645796326 15.999 > 20 40 O 0.68066990944284 0.84814735802212 0.10356645796326 15.999 > 20 41 O 0.43066990944284 0.84814735802212 0.39643354203674 15.999 > 21 42 O 0.93066990944284 0.84814735802212 0.39643354203674 15.999 > 21 43 O 0.18066990944284 0.65185264197788 0.60356645796326 15.999 > 22 44 O 0.68066990944284 0.65185264197788 0.60356645796326 15.999 > 22 45 O 0.06933009055716 0.34814735802212 0.10356645796326 15.999 > 23 46 O 0.56933009055716 0.34814735802212 0.10356645796326 15.999 > 23 47 O 0.31933009055716 0.15185264197788 0.89643354203674 15.999 > 24 48 O 0.81933009055716 0.15185264197788 0.89643354203674 15.999 > 24 *49 O 0.00692322305015 0.29685443616596 0.87258383162913 15.999 > 25 50 O 0.50692322305015 0.29685443616596 0.87258383162913 15.999 > 25 51 O 0.25692322305015 0.20314556383404 0.12741616837087 15.999 > 26 52 O 0.75692322305015 0.20314556383404 0.12741616837087 15.999 > 26 53 O 0.49307677694985 0.79685443616596 0.62741616837087 15.999 > 27 54 O 0.99307677694985 0.79685443616596 0.62741616837087 15.999 > 27 55 O 0.24307677694985 0.70314556383404 0.37258383162913 15.999 > 28 56 O 0.74307677694985 0.70314556383404 0.37258383162913 15.999 > 28 57 O 0.49307677694985 0.70314556383404 0.12741616837087 15.999 > 29 58 O 0.99307677694985 0.70314556383404 0.12741616837087 15.999 > 29 59 O 0.24307677694985 0.79685443616596 0.87258383162913 15.999 > 30 60 O 0.74307677694985 0.79685443616596 0.87258383162913 15.999 > 30 61 O 0.00692322305015 0.20314556383404 0.37258383162913 15.999 > 31 62 O 0.50692322305015 0.20314556383404 0.37258383162913 15.999 > 31 63 O 0.25692322305015 0.29685443616596 0.62741616837087 15.999 > 32 64 O 0.75692322305015 0.29685443616596 0.62741616837087 15.999 > 32 *65 O 0.12119400095719 0.09964144337533 0.82196882602366 15.999 > 33 66 O 0.62119400095719 0.09964144337533 0.82196882602366 15.999 > 33 67 O 0.37119400095719 0.40035855662467 0.17803117397633 15.999 > 34 68 O 0.87119400095719 0.40035855662467 0.17803117397633 15.999 > 34 69 O 0.37880599904281 0.59964144337533 0.67803117397634 15.999 > 35 70 O 0.87880599904281 0.59964144337533 0.67803117397634 15.999 > 35 71 O 0.12880599904281 0.90035855662467 0.32196882602367 15.999 > 36 72 O 0.62880599904281 0.90035855662467 0.32196882602367 15.999 > 36 73 O 0.37880599904281 0.90035855662467 0.17803117397633 15.999 > 37 74 O 0.87880599904281 0.90035855662467 0.17803117397633 15.999 > 37 75 O 0.12880599904281 0.59964144337533 0.82196882602366 15.999 > 38 76 O 0.62880599904281 0.59964144337533 0.82196882602366 15.999 > 38 77 O 0.12119400095719 0.40035855662467 0.32196882602367 15.999 > 39 78 O 0.62119400095719 0.40035855662467 0.32196882602367 15.999 > 39 79 O 0.37119400095719 0.09964144337533 0.67803117397634 15.999 > 40 80 O 0.87119400095719 0.09964144337533 0.67803117397634 15.999 > 40 81 O 0.32090958343763 0.40225809640713 0.82343970028006 15.999 > 41 82 O 0.82090958343763 0.40225809640713 0.82343970028006 15.999 > 41 83 O 0.07090958343763 0.09774190359287 0.17656029971994 15.999 > 42 84 O 0.57090958343763 0.09774190359287 0.17656029971994 15.999 > 42 85 O 0.17909041656237 0.90225809640713 0.67656029971994 15.999 > 43 86 O 0.67909041656237 0.90225809640713 0.67656029971994 15.999 > 43 87 O 0.42909041656237 0.59774190359287 0.32343970028006 15.999 > 44 88 O 0.92909041656237 0.59774190359287 0.32343970028006 15.999 > 44 89 O 0.17909041656237 0.59774190359287 0.17656029971994 15.999 > 45 90 O 0.67909041656237 0.59774190359287 0.17656029971994 15.999 > 45 91 O 0.42909041656237 0.90225809640713 0.82343970028006 15.999 > 46 92 O 0.92909041656237 0.90225809640713 0.82343970028006 15.999 > 46 93 O 0.32090958343763 0.09774190359287 0.32343970028006 15.999 > 47 94 O 0.82090958343763 0.09774190359287 0.32343970028006 15.999 > 47 95 O 0.43066990944284 0.65185264197788 0.89643354203674 15.999 > 48 96 O 0.93066990944284 0.65185264197788 0.89643354203674 15.999 > 48 *97 P 0.04234911849827 0.30062125617835 0.59780031684919 30.974 > 49 98 P 0.54234911849827 0.30062125617835 0.59780031684919 30.974 > 49 99 P 0.29234911849827 0.19937874382165 0.40219968315081 30.974 > 50 100 P 0.79234911849827 0.19937874382165 0.40219968315081 30.974 > 50 101 P 0.45765088150173 0.80062125617835 0.90219968315081 30.974 > 51 102 P 0.95765088150173 0.80062125617835 0.90219968315081 30.974 > 51 103 P 0.20765088150173 0.69937874382165 0.09780031684920 30.974 > 52 104 P 0.70765088150173 0.69937874382165 0.09780031684920 30.974 > 52 105 P 0.45765088150173 0.69937874382165 0.40219968315081 30.974 > 53 106 P 0.95765088150173 0.69937874382165 0.40219968315081 30.974 > 53 107 P 0.20765088150173 0.80062125617835 0.59780031684919 30.974 > 54 108 P 0.70765088150173 0.80062125617835 0.59780031684919 30.974 > 54 109 P 0.04234911849827 0.19937874382165 0.09780031684920 30.974 > 55 110 P 0.54234911849827 0.19937874382165 0.09780031684920 30.974 > 55 111 P 0.29234911849827 0.30062125617835 0.90219968315081 30.974 > 56 112 P 0.79234911849827 0.30062125617835 0.90219968315081 30.974 > 56 *113 P 0.34235933975278 0.21107810899888 0.60646305785459 30.974 > 57 114 P 0.84235933975278 0.21107810899888 0.60646305785459 30.974 > 57 115 P 0.09235933975278 0.28892189100112 0.39353694214541 30.974 > 58 116 P 0.59235933975278 0.28892189100112 0.39353694214541 30.974 > 58 117 P 0.15764066024722 0.71107810899888 0.89353694214541 30.974 > 59 118 P 0.65764066024722 0.71107810899888 0.89353694214541 30.974 > 59 119 P 0.40764066024722 0.78892189100112 0.10646305785459 30.974 > 60 120 P 0.90764066024722 0.78892189100112 0.10646305785459 30.974 > 60 121 P 0.15764066024722 0.78892189100112 0.39353694214541 30.974 > 61 122 P 0.65764066024722 0.78892189100112 0.39353694214541 30.974 > 61 123 P 0.40764066024722 0.71107810899888 0.60646305785459 30.974 > 62 124 P 0.90764066024722 0.71107810899888 0.60646305785459 30.974 > 62 125 P 0.34235933975278 0.28892189100112 0.10646305785459 30.974 > 63 126 P 0.84235933975278 0.28892189100112 0.10646305785459 30.974 > 63 127 P 0.09235933975278 0.21107810899888 0.89353694214541 30.974 > 64 128 P 0.59235933975278 0.21107810899888 0.89353694214541 30.974 > 64 *129 Cd 0.27486695004638 0.99224673795994 0.79376836709569 112.411 > 65 130 Cd 0.77486695004638 0.99224673795994 0.79376836709569 112.411 > 65 131 Cd 0.02486695004638 0.50775326204006 0.20623163290431 112.411 > 66 132 Cd 0.52486695004638 0.50775326204006 0.20623163290431 112.411 > 66 133 Cd 0.22513304995362 0.49224673795994 0.70623163290431 112.411 > 67 134 Cd 0.72513304995362 0.49224673795994 0.70623163290431 112.411 > 67 135 Cd 0.47513304995362 0.00775326204006 0.29376836709569 112.411 > 68 136 Cd 0.97513304995362 0.00775326204006 0.29376836709569 112.411 > 68 137 Cd 0.22513304995362 0.00775326204006 0.20623163290431 112.411 > 69 138 Cd 0.72513304995362 0.00775326204006 0.20623163290431 112.411 > 69 139 Cd 0.47513304995362 0.49224673795994 0.79376836709569 112.411 > 70 140 Cd 0.97513304995362 0.49224673795994 0.79376836709569 112.411 > 70 141 Cd 0.27486695004638 0.50775326204006 0.29376836709569 112.411 > 71 142 Cd 0.77486695004638 0.50775326204006 0.29376836709569 112.411 > 71 143 Cd 0.02486695004638 0.99224673795994 0.70623163290431 112.411 > 72 144 Cd 0.52486695004638 0.99224673795994 0.70623163290431 112.411 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8866689 0.0000000 0.0000000 0.0000000 2.8206311 0.0000000 0.0000000 0.0000000 2.9068073 -------------------------- Born effective charges -------------------------- 1 O -1.0677507 0.0255552 -0.7147344 0.0973620 -1.0624837 -0.0823277 -0.4926504 -0.0611394 -3.1738556 2 O -1.0677507 -0.0255552 0.7147344 -0.0973620 -1.0624837 -0.0823277 0.4926504 -0.0611394 -3.1738556 3 O -1.0677507 -0.0255552 -0.7147344 -0.0973620 -1.0624837 0.0823277 -0.4926504 0.0611394 -3.1738556 4 O -1.0677507 0.0255552 0.7147344 0.0973620 -1.0624837 0.0823277 0.4926504 0.0611394 -3.1738556 5 O -1.0677507 0.0255552 -0.7147344 0.0973620 -1.0624837 -0.0823277 -0.4926504 -0.0611394 -3.1738556 6 O -1.0677507 -0.0255552 0.7147344 -0.0973620 -1.0624837 -0.0823277 0.4926504 -0.0611394 -3.1738556 7 O -1.0677507 -0.0255552 -0.7147344 -0.0973620 -1.0624837 0.0823277 -0.4926504 0.0611394 -3.1738556 8 O -1.0677507 0.0255552 0.7147344 0.0973620 -1.0624837 0.0823277 0.4926504 0.0611394 -3.1738556 9 O -3.0726790 -0.6907994 0.0429086 -0.5107637 -1.2064507 0.0429370 0.0147312 0.0698522 -0.9402295 10 O -3.0726790 0.6907994 -0.0429086 0.5107637 -1.2064507 0.0429370 -0.0147312 0.0698522 -0.9402295 11 O -3.0726790 0.6907994 0.0429086 0.5107637 -1.2064507 -0.0429370 0.0147312 -0.0698522 -0.9402295 12 O -3.0726790 -0.6907994 -0.0429086 -0.5107637 -1.2064507 -0.0429370 -0.0147312 -0.0698522 -0.9402295 13 O -3.0726790 -0.6907994 0.0429086 -0.5107637 -1.2064507 0.0429370 0.0147312 0.0698522 -0.9402295 14 O -3.0726790 0.6907994 -0.0429086 0.5107637 -1.2064507 0.0429370 -0.0147312 0.0698522 -0.9402295 15 O -3.0726790 0.6907994 0.0429086 0.5107637 -1.2064507 -0.0429370 0.0147312 -0.0698522 -0.9402295 16 O -3.0726790 -0.6907994 -0.0429086 -0.5107637 -1.2064507 -0.0429370 -0.0147312 -0.0698522 -0.9402295 17 O -1.1008770 0.0000468 0.0461290 0.0576566 -1.8868553 0.1795722 0.0059474 0.5016502 -1.1890396 18 O -1.5002862 -0.2792603 -0.1937511 -0.2318606 -1.6287332 -0.7654892 -0.0844708 -0.7094443 -1.8393434 19 O -1.1008770 -0.0000468 -0.0461290 -0.0576566 -1.8868553 0.1795722 -0.0059474 0.5016502 -1.1890396 20 O -1.1008770 0.0000468 -0.0461290 0.0576566 -1.8868553 -0.1795722 -0.0059474 -0.5016502 -1.1890396 21 O -1.1008770 0.0000468 0.0461290 0.0576566 -1.8868553 0.1795722 0.0059474 0.5016502 -1.1890396 22 O -1.1008770 -0.0000468 -0.0461290 -0.0576566 -1.8868553 0.1795722 -0.0059474 0.5016502 -1.1890396 23 O -1.1008770 -0.0000468 0.0461290 -0.0576566 -1.8868553 -0.1795722 0.0059474 -0.5016502 -1.1890396 24 O -1.1008770 0.0000468 -0.0461290 0.0576566 -1.8868553 -0.1795722 -0.0059474 -0.5016502 -1.1890396 25 O -1.6400469 0.5106418 -0.1169268 0.6059455 -1.5161448 0.1946967 -0.3122268 0.4370892 -1.2529735 26 O -1.6400469 -0.5106418 0.1169268 -0.6059455 -1.5161448 0.1946967 0.3122268 0.4370892 -1.2529735 27 O -1.6400469 -0.5106418 -0.1169268 -0.6059455 -1.5161448 -0.1946967 -0.3122268 -0.4370892 -1.2529735 28 O -1.6400469 0.5106418 0.1169268 0.6059455 -1.5161448 -0.1946967 0.3122268 -0.4370892 -1.2529735 29 O -1.6400469 0.5106418 -0.1169268 0.6059455 -1.5161448 0.1946967 -0.3122268 0.4370892 -1.2529735 30 O -1.6400469 -0.5106418 0.1169268 -0.6059455 -1.5161448 0.1946967 0.3122268 0.4370892 -1.2529735 31 O -1.6400469 -0.5106418 -0.1169268 -0.6059455 -1.5161448 -0.1946967 -0.3122268 -0.4370892 -1.2529735 32 O -1.6400469 0.5106418 0.1169268 0.6059455 -1.5161448 -0.1946967 0.3122268 -0.4370892 -1.2529735 33 O -1.4265720 0.0779590 0.0221403 0.2840430 -1.6834687 -0.7437954 0.0954222 -0.7059312 -1.6583619 34 O -1.4265720 -0.0779590 -0.0221403 -0.2840430 -1.6834687 -0.7437954 -0.0954222 -0.7059312 -1.6583619 35 O -1.4265720 -0.0779590 0.0221403 -0.2840430 -1.6834687 0.7437954 0.0954222 0.7059312 -1.6583619 36 O -1.4265720 0.0779590 -0.0221403 0.2840430 -1.6834687 0.7437954 -0.0954222 0.7059312 -1.6583619 37 O -1.4265720 0.0779590 0.0221403 0.2840430 -1.6834687 -0.7437954 0.0954222 -0.7059312 -1.6583619 38 O -1.4265720 -0.0779590 -0.0221403 -0.2840430 -1.6834687 -0.7437954 -0.0954222 -0.7059312 -1.6583619 39 O -1.4265720 -0.0779590 0.0221403 -0.2840430 -1.6834687 0.7437954 0.0954222 0.7059312 -1.6583619 40 O -1.4265720 0.0779590 -0.0221403 0.2840430 -1.6834687 0.7437954 -0.0954222 0.7059312 -1.6583619 41 O -1.5002862 -0.2792603 0.1937511 -0.2318606 -1.6287332 0.7654892 0.0844708 0.7094443 -1.8393434 42 O -1.5002862 0.2792603 -0.1937511 0.2318606 -1.6287332 0.7654892 -0.0844708 0.7094443 -1.8393434 43 O -1.5002862 0.2792603 0.1937511 0.2318606 -1.6287332 -0.7654892 0.0844708 -0.7094443 -1.8393434 44 O -1.5002862 -0.2792603 -0.1937511 -0.2318606 -1.6287332 -0.7654892 -0.0844708 -0.7094443 -1.8393434 45 O -1.5002862 -0.2792603 0.1937511 -0.2318606 -1.6287332 0.7654892 0.0844708 0.7094443 -1.8393434 46 O -1.5002862 0.2792603 -0.1937511 0.2318606 -1.6287332 0.7654892 -0.0844708 0.7094443 -1.8393434 47 O -1.5002862 0.2792603 0.1937511 0.2318606 -1.6287332 -0.7654892 0.0844708 -0.7094443 -1.8393434 48 O -1.1008770 -0.0000468 0.0461290 -0.0576566 -1.8868553 -0.1795722 0.0059474 -0.5016502 -1.1890396 49 P 3.7075191 0.2839870 0.0004146 0.2409655 3.2003196 0.6409717 -0.0543825 -0.2567627 3.8336510 50 P 3.7075191 -0.2839870 -0.0004146 -0.2409655 3.2003196 0.6409717 0.0543825 -0.2567627 3.8336510 51 P 3.7075191 -0.2839870 0.0004146 -0.2409655 3.2003196 -0.6409717 -0.0543825 0.2567627 3.8336510 52 P 3.7075191 0.2839870 -0.0004146 0.2409655 3.2003196 -0.6409717 0.0543825 0.2567627 3.8336510 53 P 3.7075191 0.2839870 0.0004146 0.2409655 3.2003196 0.6409717 -0.0543825 -0.2567627 3.8336510 54 P 3.7075191 -0.2839870 -0.0004146 -0.2409655 3.2003196 0.6409717 0.0543825 -0.2567627 3.8336510 55 P 3.7075191 -0.2839870 0.0004146 -0.2409655 3.2003196 -0.6409717 -0.0543825 0.2567627 3.8336510 56 P 3.7075191 0.2839870 -0.0004146 0.2409655 3.2003196 -0.6409717 0.0543825 0.2567627 3.8336510 57 P 3.5755753 0.5910046 0.2273431 -0.4397884 3.1097984 -0.5036359 0.0817005 0.2027842 3.8816146 58 P 3.5755753 -0.5910046 -0.2273431 0.4397884 3.1097984 -0.5036359 -0.0817005 0.2027842 3.8816146 59 P 3.5755753 -0.5910046 0.2273431 0.4397884 3.1097984 0.5036359 0.0817005 -0.2027842 3.8816146 60 P 3.5755753 0.5910046 -0.2273431 -0.4397884 3.1097984 0.5036359 -0.0817005 -0.2027842 3.8816146 61 P 3.5755753 0.5910046 0.2273431 -0.4397884 3.1097984 -0.5036359 0.0817005 0.2027842 3.8816146 62 P 3.5755753 -0.5910046 -0.2273431 0.4397884 3.1097984 -0.5036359 -0.0817005 0.2027842 3.8816146 63 P 3.5755753 -0.5910046 0.2273431 0.4397884 3.1097984 0.5036359 0.0817005 -0.2027842 3.8816146 64 P 3.5755753 0.5910046 -0.2273431 -0.4397884 3.1097984 0.5036359 -0.0817005 -0.2027842 3.8816146 65 Cd 2.5251173 0.1517746 -0.1126664 0.0976509 2.6740184 0.0769324 0.0276895 -0.0089484 2.3385379 66 Cd 2.5251173 -0.1517746 0.1126664 -0.0976509 2.6740184 0.0769324 -0.0276895 -0.0089484 2.3385379 67 Cd 2.5251173 -0.1517746 -0.1126664 -0.0976509 2.6740184 -0.0769324 0.0276895 0.0089484 2.3385379 68 Cd 2.5251173 0.1517746 0.1126664 0.0976509 2.6740184 -0.0769324 -0.0276895 0.0089484 2.3385379 69 Cd 2.5251173 0.1517746 -0.1126664 0.0976509 2.6740184 0.0769324 0.0276895 -0.0089484 2.3385379 70 Cd 2.5251173 -0.1517746 0.1126664 -0.0976509 2.6740184 0.0769324 -0.0276895 -0.0089484 2.3385379 71 Cd 2.5251173 -0.1517746 -0.1126664 -0.0976509 2.6740184 -0.0769324 0.0276895 0.0089484 2.3385379 72 Cd 2.5251173 0.1517746 0.1126664 0.0976509 2.6740184 -0.0769324 -0.0276895 0.0089484 2.3385379 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 279 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5913), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 279), data: True |-- (500, 483), data: False |-- (500, 12), data: (500, 29) @ (29, 12) |-- (250, 236), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 232), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 280), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 235), data: True |-- (250, 238), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 280), data: True |-- (500, 485), data: False |-- (500, 10), data: (500, 25) @ (25, 10) |-- (250, 237), data: True |-- (250, 238), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 1120 - Time: 1.826 Solver_block: 200 / 1120 - Time: 1.621 Solver_block: 300 / 1120 - Time: 1.618 Solver_block: 400 / 1120 - Time: 1.614 Solver_block: 500 / 1120 - Time: 1.621 Solver_block: 600 / 1120 - Time: 1.622 Solver_block: 700 / 1120 - Time: 1.622 Solver_block: 800 / 1120 - Time: 1.620 Solver_block: 900 / 1120 - Time: 1.629 Solver_block: 1000 / 1120 - Time: 1.623 Solver_block: 1100 / 1120 - Time: 1.621 Solver_block: 1120 / 1120 - Time: 0.511 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.068 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 279 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5913), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 279), data: True |-- (500, 483), data: False |-- (500, 12), data: (500, 29) @ (29, 12) |-- (250, 236), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 232), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 280), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 235), data: True |-- (250, 238), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 280), data: True |-- (500, 485), data: False |-- (500, 10), data: (500, 25) @ (25, 10) |-- (250, 237), data: True |-- (250, 238), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:23:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:23:26]------------------------- 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: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.046515229999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.672881489999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.698682619999998 Atomic positions (fractional): 1 O 0.65893608159488 0.13449821075547 0.50284119356525 15.999 2 O 0.15893608159488 0.36550178924453 0.49715880643475 15.999 3 O 0.34106391840512 0.63449821075547 0.99715880643475 15.999 4 O 0.84106391840512 0.86550178924453 0.00284119356525 15.999 5 O 0.34106391840512 0.86550178924453 0.49715880643475 15.999 6 O 0.84106391840512 0.63449821075547 0.50284119356525 15.999 7 O 0.65893608159488 0.36550178924453 0.00284119356525 15.999 8 O 0.15893608159488 0.13449821075547 0.99715880643475 15.999 9 O 0.85787817375351 0.31579278096637 0.58888607475206 15.999 10 O 0.35787817375351 0.18420721903363 0.41111392524794 15.999 11 O 0.14212182624649 0.81579278096637 0.91111392524794 15.999 12 O 0.64212182624649 0.68420721903363 0.08888607475206 15.999 13 O 0.14212182624649 0.68420721903363 0.41111392524794 15.999 14 O 0.64212182624649 0.81579278096637 0.58888607475206 15.999 15 O 0.85787817375351 0.18420721903363 0.08888607475206 15.999 16 O 0.35787817375351 0.31579278096637 0.91111392524794 15.999 17 O 0.13866018111431 0.15185264197788 0.60356645796326 15.999 18 O 0.14181916687526 0.40225809640713 0.67656029971994 15.999 19 O 0.63866018111431 0.34814735802212 0.39643354203674 15.999 20 O 0.36133981888569 0.84814735802212 0.10356645796326 15.999 21 O 0.86133981888569 0.84814735802212 0.39643354203674 15.999 22 O 0.36133981888569 0.65185264197788 0.60356645796326 15.999 23 O 0.13866018111431 0.34814735802212 0.10356645796326 15.999 24 O 0.63866018111431 0.15185264197788 0.89643354203674 15.999 25 O 0.01384644610031 0.29685443616596 0.87258383162913 15.999 26 O 0.51384644610031 0.20314556383404 0.12741616837087 15.999 27 O 0.98615355389969 0.79685443616596 0.62741616837087 15.999 28 O 0.48615355389969 0.70314556383404 0.37258383162913 15.999 29 O 0.98615355389969 0.70314556383404 0.12741616837087 15.999 30 O 0.48615355389969 0.79685443616596 0.87258383162913 15.999 31 O 0.01384644610031 0.20314556383404 0.37258383162913 15.999 32 O 0.51384644610031 0.29685443616596 0.62741616837087 15.999 33 O 0.24238800191437 0.09964144337533 0.82196882602366 15.999 34 O 0.74238800191437 0.40035855662467 0.17803117397633 15.999 35 O 0.75761199808563 0.59964144337533 0.67803117397634 15.999 36 O 0.25761199808563 0.90035855662467 0.32196882602367 15.999 37 O 0.75761199808563 0.90035855662467 0.17803117397633 15.999 38 O 0.25761199808563 0.59964144337533 0.82196882602366 15.999 39 O 0.24238800191437 0.40035855662467 0.32196882602367 15.999 40 O 0.74238800191437 0.09964144337533 0.67803117397634 15.999 41 O 0.64181916687527 0.40225809640713 0.82343970028006 15.999 42 O 0.14181916687526 0.09774190359287 0.17656029971994 15.999 43 O 0.35818083312473 0.90225809640713 0.67656029971994 15.999 44 O 0.85818083312473 0.59774190359287 0.32343970028006 15.999 45 O 0.35818083312473 0.59774190359287 0.17656029971994 15.999 46 O 0.85818083312473 0.90225809640713 0.82343970028006 15.999 47 O 0.64181916687527 0.09774190359287 0.32343970028006 15.999 48 O 0.86133981888569 0.65185264197788 0.89643354203674 15.999 49 P 0.08469823699654 0.30062125617835 0.59780031684919 30.974 50 P 0.58469823699654 0.19937874382165 0.40219968315081 30.974 51 P 0.91530176300346 0.80062125617835 0.90219968315081 30.974 52 P 0.41530176300346 0.69937874382165 0.09780031684920 30.974 53 P 0.91530176300346 0.69937874382165 0.40219968315081 30.974 54 P 0.41530176300346 0.80062125617835 0.59780031684919 30.974 55 P 0.08469823699654 0.19937874382165 0.09780031684920 30.974 56 P 0.58469823699654 0.30062125617835 0.90219968315081 30.974 57 P 0.68471867950557 0.21107810899888 0.60646305785459 30.974 58 P 0.18471867950557 0.28892189100112 0.39353694214541 30.974 59 P 0.31528132049443 0.71107810899888 0.89353694214541 30.974 60 P 0.81528132049443 0.78892189100112 0.10646305785459 30.974 61 P 0.31528132049443 0.78892189100112 0.39353694214541 30.974 62 P 0.81528132049443 0.71107810899888 0.60646305785459 30.974 63 P 0.68471867950557 0.28892189100112 0.10646305785459 30.974 64 P 0.18471867950557 0.21107810899888 0.89353694214541 30.974 65 Cd 0.54973390009276 0.99224673795994 0.79376836709569 112.411 66 Cd 0.04973390009276 0.50775326204006 0.20623163290431 112.411 67 Cd 0.45026609990724 0.49224673795994 0.70623163290431 112.411 68 Cd 0.95026609990724 0.00775326204006 0.29376836709569 112.411 69 Cd 0.45026609990724 0.00775326204006 0.20623163290431 112.411 70 Cd 0.95026609990724 0.49224673795994 0.79376836709569 112.411 71 Cd 0.54973390009276 0.50775326204006 0.29376836709569 112.411 72 Cd 0.04973390009276 0.99224673795994 0.70623163290431 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.093030459999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.672881489999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.698682619999998 Atomic positions (fractional): 1 O 0.32946804079744 0.13449821075547 0.50284119356525 15.999 > 1 2 O 0.82946804079744 0.13449821075547 0.50284119356525 15.999 > 1 3 O 0.07946804079744 0.36550178924453 0.49715880643475 15.999 > 3 4 O 0.57946804079744 0.36550178924453 0.49715880643475 15.999 > 3 5 O 0.17053195920256 0.63449821075547 0.99715880643475 15.999 > 5 6 O 0.67053195920256 0.63449821075547 0.99715880643475 15.999 > 5 7 O 0.42053195920256 0.86550178924453 0.00284119356525 15.999 > 7 8 O 0.92053195920256 0.86550178924453 0.00284119356525 15.999 > 7 9 O 0.17053195920256 0.86550178924453 0.49715880643475 15.999 > 9 10 O 0.67053195920256 0.86550178924453 0.49715880643475 15.999 > 9 11 O 0.42053195920256 0.63449821075547 0.50284119356525 15.999 > 11 12 O 0.92053195920256 0.63449821075547 0.50284119356525 15.999 > 11 13 O 0.32946804079744 0.36550178924453 0.00284119356525 15.999 > 13 14 O 0.82946804079744 0.36550178924453 0.00284119356525 15.999 > 13 15 O 0.07946804079744 0.13449821075547 0.99715880643475 15.999 > 15 16 O 0.57946804079744 0.13449821075547 0.99715880643475 15.999 > 15 17 O 0.42893908687676 0.31579278096637 0.58888607475206 15.999 > 17 18 O 0.92893908687676 0.31579278096637 0.58888607475206 15.999 > 17 19 O 0.17893908687676 0.18420721903363 0.41111392524794 15.999 > 19 20 O 0.67893908687676 0.18420721903363 0.41111392524794 15.999 > 19 21 O 0.07106091312324 0.81579278096637 0.91111392524794 15.999 > 21 22 O 0.57106091312324 0.81579278096637 0.91111392524794 15.999 > 21 23 O 0.32106091312324 0.68420721903363 0.08888607475206 15.999 > 23 24 O 0.82106091312324 0.68420721903363 0.08888607475206 15.999 > 23 25 O 0.07106091312324 0.68420721903363 0.41111392524794 15.999 > 25 26 O 0.57106091312324 0.68420721903363 0.41111392524794 15.999 > 25 27 O 0.32106091312324 0.81579278096637 0.58888607475206 15.999 > 27 28 O 0.82106091312324 0.81579278096637 0.58888607475206 15.999 > 27 29 O 0.42893908687676 0.18420721903363 0.08888607475206 15.999 > 29 30 O 0.92893908687676 0.18420721903363 0.08888607475206 15.999 > 29 31 O 0.17893908687676 0.31579278096637 0.91111392524794 15.999 > 31 32 O 0.67893908687676 0.31579278096637 0.91111392524794 15.999 > 31 33 O 0.06933009055716 0.15185264197788 0.60356645796326 15.999 > 33 34 O 0.56933009055716 0.15185264197788 0.60356645796326 15.999 > 33 35 O 0.07090958343763 0.40225809640713 0.67656029971994 15.999 > 35 36 O 0.57090958343763 0.40225809640713 0.67656029971994 15.999 > 35 37 O 0.31933009055716 0.34814735802212 0.39643354203674 15.999 > 37 38 O 0.81933009055716 0.34814735802212 0.39643354203674 15.999 > 37 39 O 0.18066990944284 0.84814735802212 0.10356645796326 15.999 > 39 40 O 0.68066990944284 0.84814735802212 0.10356645796326 15.999 > 39 41 O 0.43066990944284 0.84814735802212 0.39643354203674 15.999 > 41 42 O 0.93066990944284 0.84814735802212 0.39643354203674 15.999 > 41 43 O 0.18066990944284 0.65185264197788 0.60356645796326 15.999 > 43 44 O 0.68066990944284 0.65185264197788 0.60356645796326 15.999 > 43 45 O 0.06933009055716 0.34814735802212 0.10356645796326 15.999 > 45 46 O 0.56933009055716 0.34814735802212 0.10356645796326 15.999 > 45 47 O 0.31933009055716 0.15185264197788 0.89643354203674 15.999 > 47 48 O 0.81933009055716 0.15185264197788 0.89643354203674 15.999 > 47 49 O 0.00692322305015 0.29685443616596 0.87258383162913 15.999 > 49 50 O 0.50692322305015 0.29685443616596 0.87258383162913 15.999 > 49 51 O 0.25692322305015 0.20314556383404 0.12741616837087 15.999 > 51 52 O 0.75692322305015 0.20314556383404 0.12741616837087 15.999 > 51 53 O 0.49307677694985 0.79685443616596 0.62741616837087 15.999 > 53 54 O 0.99307677694985 0.79685443616596 0.62741616837087 15.999 > 53 55 O 0.24307677694985 0.70314556383404 0.37258383162913 15.999 > 55 56 O 0.74307677694985 0.70314556383404 0.37258383162913 15.999 > 55 57 O 0.49307677694985 0.70314556383404 0.12741616837087 15.999 > 57 58 O 0.99307677694985 0.70314556383404 0.12741616837087 15.999 > 57 59 O 0.24307677694985 0.79685443616596 0.87258383162913 15.999 > 59 60 O 0.74307677694985 0.79685443616596 0.87258383162913 15.999 > 59 61 O 0.00692322305015 0.20314556383404 0.37258383162913 15.999 > 61 62 O 0.50692322305015 0.20314556383404 0.37258383162913 15.999 > 61 63 O 0.25692322305015 0.29685443616596 0.62741616837087 15.999 > 63 64 O 0.75692322305015 0.29685443616596 0.62741616837087 15.999 > 63 65 O 0.12119400095719 0.09964144337533 0.82196882602366 15.999 > 65 66 O 0.62119400095719 0.09964144337533 0.82196882602366 15.999 > 65 67 O 0.37119400095719 0.40035855662467 0.17803117397633 15.999 > 67 68 O 0.87119400095719 0.40035855662467 0.17803117397633 15.999 > 67 69 O 0.37880599904281 0.59964144337533 0.67803117397634 15.999 > 69 70 O 0.87880599904281 0.59964144337533 0.67803117397634 15.999 > 69 71 O 0.12880599904281 0.90035855662467 0.32196882602367 15.999 > 71 72 O 0.62880599904281 0.90035855662467 0.32196882602367 15.999 > 71 73 O 0.37880599904281 0.90035855662467 0.17803117397633 15.999 > 73 74 O 0.87880599904281 0.90035855662467 0.17803117397633 15.999 > 73 75 O 0.12880599904281 0.59964144337533 0.82196882602366 15.999 > 75 76 O 0.62880599904281 0.59964144337533 0.82196882602366 15.999 > 75 77 O 0.12119400095719 0.40035855662467 0.32196882602367 15.999 > 77 78 O 0.62119400095719 0.40035855662467 0.32196882602367 15.999 > 77 79 O 0.37119400095719 0.09964144337533 0.67803117397634 15.999 > 79 80 O 0.87119400095719 0.09964144337533 0.67803117397634 15.999 > 79 81 O 0.32090958343763 0.40225809640713 0.82343970028006 15.999 > 81 82 O 0.82090958343763 0.40225809640713 0.82343970028006 15.999 > 81 83 O 0.07090958343763 0.09774190359287 0.17656029971994 15.999 > 83 84 O 0.57090958343763 0.09774190359287 0.17656029971994 15.999 > 83 85 O 0.17909041656237 0.90225809640713 0.67656029971994 15.999 > 85 86 O 0.67909041656237 0.90225809640713 0.67656029971994 15.999 > 85 87 O 0.42909041656237 0.59774190359287 0.32343970028006 15.999 > 87 88 O 0.92909041656237 0.59774190359287 0.32343970028006 15.999 > 87 89 O 0.17909041656237 0.59774190359287 0.17656029971994 15.999 > 89 90 O 0.67909041656237 0.59774190359287 0.17656029971994 15.999 > 89 91 O 0.42909041656237 0.90225809640713 0.82343970028006 15.999 > 91 92 O 0.92909041656237 0.90225809640713 0.82343970028006 15.999 > 91 93 O 0.32090958343763 0.09774190359287 0.32343970028006 15.999 > 93 94 O 0.82090958343763 0.09774190359287 0.32343970028006 15.999 > 93 95 O 0.43066990944284 0.65185264197788 0.89643354203674 15.999 > 95 96 O 0.93066990944284 0.65185264197788 0.89643354203674 15.999 > 95 97 P 0.04234911849827 0.30062125617835 0.59780031684919 30.974 > 97 98 P 0.54234911849827 0.30062125617835 0.59780031684919 30.974 > 97 99 P 0.29234911849827 0.19937874382165 0.40219968315081 30.974 > 99 100 P 0.79234911849827 0.19937874382165 0.40219968315081 30.974 > 99 101 P 0.45765088150173 0.80062125617835 0.90219968315081 30.974 > 101 102 P 0.95765088150173 0.80062125617835 0.90219968315081 30.974 > 101 103 P 0.20765088150173 0.69937874382165 0.09780031684920 30.974 > 103 104 P 0.70765088150173 0.69937874382165 0.09780031684920 30.974 > 103 105 P 0.45765088150173 0.69937874382165 0.40219968315081 30.974 > 105 106 P 0.95765088150173 0.69937874382165 0.40219968315081 30.974 > 105 107 P 0.20765088150173 0.80062125617835 0.59780031684919 30.974 > 107 108 P 0.70765088150173 0.80062125617835 0.59780031684919 30.974 > 107 109 P 0.04234911849827 0.19937874382165 0.09780031684920 30.974 > 109 110 P 0.54234911849827 0.19937874382165 0.09780031684920 30.974 > 109 111 P 0.29234911849827 0.30062125617835 0.90219968315081 30.974 > 111 112 P 0.79234911849827 0.30062125617835 0.90219968315081 30.974 > 111 113 P 0.34235933975278 0.21107810899888 0.60646305785459 30.974 > 113 114 P 0.84235933975278 0.21107810899888 0.60646305785459 30.974 > 113 115 P 0.09235933975278 0.28892189100112 0.39353694214541 30.974 > 115 116 P 0.59235933975278 0.28892189100112 0.39353694214541 30.974 > 115 117 P 0.15764066024722 0.71107810899888 0.89353694214541 30.974 > 117 118 P 0.65764066024722 0.71107810899888 0.89353694214541 30.974 > 117 119 P 0.40764066024722 0.78892189100112 0.10646305785459 30.974 > 119 120 P 0.90764066024722 0.78892189100112 0.10646305785459 30.974 > 119 121 P 0.15764066024722 0.78892189100112 0.39353694214541 30.974 > 121 122 P 0.65764066024722 0.78892189100112 0.39353694214541 30.974 > 121 123 P 0.40764066024722 0.71107810899888 0.60646305785459 30.974 > 123 124 P 0.90764066024722 0.71107810899888 0.60646305785459 30.974 > 123 125 P 0.34235933975278 0.28892189100112 0.10646305785459 30.974 > 125 126 P 0.84235933975278 0.28892189100112 0.10646305785459 30.974 > 125 127 P 0.09235933975278 0.21107810899888 0.89353694214541 30.974 > 127 128 P 0.59235933975278 0.21107810899888 0.89353694214541 30.974 > 127 129 Cd 0.27486695004638 0.99224673795994 0.79376836709569 112.411 > 129 130 Cd 0.77486695004638 0.99224673795994 0.79376836709569 112.411 > 129 131 Cd 0.02486695004638 0.50775326204006 0.20623163290431 112.411 > 131 132 Cd 0.52486695004638 0.50775326204006 0.20623163290431 112.411 > 131 133 Cd 0.22513304995362 0.49224673795994 0.70623163290431 112.411 > 133 134 Cd 0.72513304995362 0.49224673795994 0.70623163290431 112.411 > 133 135 Cd 0.47513304995362 0.00775326204006 0.29376836709569 112.411 > 135 136 Cd 0.97513304995362 0.00775326204006 0.29376836709569 112.411 > 135 137 Cd 0.22513304995362 0.00775326204006 0.20623163290431 112.411 > 137 138 Cd 0.72513304995362 0.00775326204006 0.20623163290431 112.411 > 137 139 Cd 0.47513304995362 0.49224673795994 0.79376836709569 112.411 > 139 140 Cd 0.97513304995362 0.49224673795994 0.79376836709569 112.411 > 139 141 Cd 0.27486695004638 0.50775326204006 0.29376836709569 112.411 > 141 142 Cd 0.77486695004638 0.50775326204006 0.29376836709569 112.411 > 141 143 Cd 0.02486695004638 0.99224673795994 0.70623163290431 112.411 > 143 144 Cd 0.52486695004638 0.99224673795994 0.70623163290431 112.411 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8866689 0.0000000 0.0000000 0.0000000 2.8206311 0.0000000 0.0000000 0.0000000 2.9068073 -------------------------- Born effective charges -------------------------- 1 O -1.0677507 0.0255552 -0.7147344 0.0973620 -1.0624837 -0.0823277 -0.4926504 -0.0611394 -3.1738556 2 O -1.0677507 -0.0255552 0.7147344 -0.0973620 -1.0624837 -0.0823277 0.4926504 -0.0611394 -3.1738556 3 O -1.0677507 -0.0255552 -0.7147344 -0.0973620 -1.0624837 0.0823277 -0.4926504 0.0611394 -3.1738556 4 O -1.0677507 0.0255552 0.7147344 0.0973620 -1.0624837 0.0823277 0.4926504 0.0611394 -3.1738556 5 O -1.0677507 0.0255552 -0.7147344 0.0973620 -1.0624837 -0.0823277 -0.4926504 -0.0611394 -3.1738556 6 O -1.0677507 -0.0255552 0.7147344 -0.0973620 -1.0624837 -0.0823277 0.4926504 -0.0611394 -3.1738556 7 O -1.0677507 -0.0255552 -0.7147344 -0.0973620 -1.0624837 0.0823277 -0.4926504 0.0611394 -3.1738556 8 O -1.0677507 0.0255552 0.7147344 0.0973620 -1.0624837 0.0823277 0.4926504 0.0611394 -3.1738556 9 O -3.0726790 -0.6907994 0.0429086 -0.5107637 -1.2064507 0.0429370 0.0147312 0.0698522 -0.9402295 10 O -3.0726790 0.6907994 -0.0429086 0.5107637 -1.2064507 0.0429370 -0.0147312 0.0698522 -0.9402295 11 O -3.0726790 0.6907994 0.0429086 0.5107637 -1.2064507 -0.0429370 0.0147312 -0.0698522 -0.9402295 12 O -3.0726790 -0.6907994 -0.0429086 -0.5107637 -1.2064507 -0.0429370 -0.0147312 -0.0698522 -0.9402295 13 O -3.0726790 -0.6907994 0.0429086 -0.5107637 -1.2064507 0.0429370 0.0147312 0.0698522 -0.9402295 14 O -3.0726790 0.6907994 -0.0429086 0.5107637 -1.2064507 0.0429370 -0.0147312 0.0698522 -0.9402295 15 O -3.0726790 0.6907994 0.0429086 0.5107637 -1.2064507 -0.0429370 0.0147312 -0.0698522 -0.9402295 16 O -3.0726790 -0.6907994 -0.0429086 -0.5107637 -1.2064507 -0.0429370 -0.0147312 -0.0698522 -0.9402295 17 O -1.1008770 0.0000468 0.0461290 0.0576566 -1.8868553 0.1795722 0.0059474 0.5016502 -1.1890396 18 O -1.5002862 -0.2792603 -0.1937511 -0.2318606 -1.6287332 -0.7654892 -0.0844708 -0.7094443 -1.8393434 19 O -1.1008770 -0.0000468 -0.0461290 -0.0576566 -1.8868553 0.1795722 -0.0059474 0.5016502 -1.1890396 20 O -1.1008770 0.0000468 -0.0461290 0.0576566 -1.8868553 -0.1795722 -0.0059474 -0.5016502 -1.1890396 21 O -1.1008770 0.0000468 0.0461290 0.0576566 -1.8868553 0.1795722 0.0059474 0.5016502 -1.1890396 22 O -1.1008770 -0.0000468 -0.0461290 -0.0576566 -1.8868553 0.1795722 -0.0059474 0.5016502 -1.1890396 23 O -1.1008770 -0.0000468 0.0461290 -0.0576566 -1.8868553 -0.1795722 0.0059474 -0.5016502 -1.1890396 24 O -1.1008770 0.0000468 -0.0461290 0.0576566 -1.8868553 -0.1795722 -0.0059474 -0.5016502 -1.1890396 25 O -1.6400469 0.5106418 -0.1169268 0.6059455 -1.5161448 0.1946967 -0.3122268 0.4370892 -1.2529735 26 O -1.6400469 -0.5106418 0.1169268 -0.6059455 -1.5161448 0.1946967 0.3122268 0.4370892 -1.2529735 27 O -1.6400469 -0.5106418 -0.1169268 -0.6059455 -1.5161448 -0.1946967 -0.3122268 -0.4370892 -1.2529735 28 O -1.6400469 0.5106418 0.1169268 0.6059455 -1.5161448 -0.1946967 0.3122268 -0.4370892 -1.2529735 29 O -1.6400469 0.5106418 -0.1169268 0.6059455 -1.5161448 0.1946967 -0.3122268 0.4370892 -1.2529735 30 O -1.6400469 -0.5106418 0.1169268 -0.6059455 -1.5161448 0.1946967 0.3122268 0.4370892 -1.2529735 31 O -1.6400469 -0.5106418 -0.1169268 -0.6059455 -1.5161448 -0.1946967 -0.3122268 -0.4370892 -1.2529735 32 O -1.6400469 0.5106418 0.1169268 0.6059455 -1.5161448 -0.1946967 0.3122268 -0.4370892 -1.2529735 33 O -1.4265720 0.0779590 0.0221403 0.2840430 -1.6834687 -0.7437954 0.0954222 -0.7059312 -1.6583619 34 O -1.4265720 -0.0779590 -0.0221403 -0.2840430 -1.6834687 -0.7437954 -0.0954222 -0.7059312 -1.6583619 35 O -1.4265720 -0.0779590 0.0221403 -0.2840430 -1.6834687 0.7437954 0.0954222 0.7059312 -1.6583619 36 O -1.4265720 0.0779590 -0.0221403 0.2840430 -1.6834687 0.7437954 -0.0954222 0.7059312 -1.6583619 37 O -1.4265720 0.0779590 0.0221403 0.2840430 -1.6834687 -0.7437954 0.0954222 -0.7059312 -1.6583619 38 O -1.4265720 -0.0779590 -0.0221403 -0.2840430 -1.6834687 -0.7437954 -0.0954222 -0.7059312 -1.6583619 39 O -1.4265720 -0.0779590 0.0221403 -0.2840430 -1.6834687 0.7437954 0.0954222 0.7059312 -1.6583619 40 O -1.4265720 0.0779590 -0.0221403 0.2840430 -1.6834687 0.7437954 -0.0954222 0.7059312 -1.6583619 41 O -1.5002862 -0.2792603 0.1937511 -0.2318606 -1.6287332 0.7654892 0.0844708 0.7094443 -1.8393434 42 O -1.5002862 0.2792603 -0.1937511 0.2318606 -1.6287332 0.7654892 -0.0844708 0.7094443 -1.8393434 43 O -1.5002862 0.2792603 0.1937511 0.2318606 -1.6287332 -0.7654892 0.0844708 -0.7094443 -1.8393434 44 O -1.5002862 -0.2792603 -0.1937511 -0.2318606 -1.6287332 -0.7654892 -0.0844708 -0.7094443 -1.8393434 45 O -1.5002862 -0.2792603 0.1937511 -0.2318606 -1.6287332 0.7654892 0.0844708 0.7094443 -1.8393434 46 O -1.5002862 0.2792603 -0.1937511 0.2318606 -1.6287332 0.7654892 -0.0844708 0.7094443 -1.8393434 47 O -1.5002862 0.2792603 0.1937511 0.2318606 -1.6287332 -0.7654892 0.0844708 -0.7094443 -1.8393434 48 O -1.1008770 -0.0000468 0.0461290 -0.0576566 -1.8868553 -0.1795722 0.0059474 -0.5016502 -1.1890396 49 P 3.7075191 0.2839870 0.0004146 0.2409655 3.2003196 0.6409717 -0.0543825 -0.2567627 3.8336510 50 P 3.7075191 -0.2839870 -0.0004146 -0.2409655 3.2003196 0.6409717 0.0543825 -0.2567627 3.8336510 51 P 3.7075191 -0.2839870 0.0004146 -0.2409655 3.2003196 -0.6409717 -0.0543825 0.2567627 3.8336510 52 P 3.7075191 0.2839870 -0.0004146 0.2409655 3.2003196 -0.6409717 0.0543825 0.2567627 3.8336510 53 P 3.7075191 0.2839870 0.0004146 0.2409655 3.2003196 0.6409717 -0.0543825 -0.2567627 3.8336510 54 P 3.7075191 -0.2839870 -0.0004146 -0.2409655 3.2003196 0.6409717 0.0543825 -0.2567627 3.8336510 55 P 3.7075191 -0.2839870 0.0004146 -0.2409655 3.2003196 -0.6409717 -0.0543825 0.2567627 3.8336510 56 P 3.7075191 0.2839870 -0.0004146 0.2409655 3.2003196 -0.6409717 0.0543825 0.2567627 3.8336510 57 P 3.5755753 0.5910046 0.2273431 -0.4397884 3.1097984 -0.5036359 0.0817005 0.2027842 3.8816146 58 P 3.5755753 -0.5910046 -0.2273431 0.4397884 3.1097984 -0.5036359 -0.0817005 0.2027842 3.8816146 59 P 3.5755753 -0.5910046 0.2273431 0.4397884 3.1097984 0.5036359 0.0817005 -0.2027842 3.8816146 60 P 3.5755753 0.5910046 -0.2273431 -0.4397884 3.1097984 0.5036359 -0.0817005 -0.2027842 3.8816146 61 P 3.5755753 0.5910046 0.2273431 -0.4397884 3.1097984 -0.5036359 0.0817005 0.2027842 3.8816146 62 P 3.5755753 -0.5910046 -0.2273431 0.4397884 3.1097984 -0.5036359 -0.0817005 0.2027842 3.8816146 63 P 3.5755753 -0.5910046 0.2273431 0.4397884 3.1097984 0.5036359 0.0817005 -0.2027842 3.8816146 64 P 3.5755753 0.5910046 -0.2273431 -0.4397884 3.1097984 0.5036359 -0.0817005 -0.2027842 3.8816146 65 Cd 2.5251173 0.1517746 -0.1126664 0.0976509 2.6740184 0.0769324 0.0276895 -0.0089484 2.3385379 66 Cd 2.5251173 -0.1517746 0.1126664 -0.0976509 2.6740184 0.0769324 -0.0276895 -0.0089484 2.3385379 67 Cd 2.5251173 -0.1517746 -0.1126664 -0.0976509 2.6740184 -0.0769324 0.0276895 0.0089484 2.3385379 68 Cd 2.5251173 0.1517746 0.1126664 0.0976509 2.6740184 -0.0769324 -0.0276895 0.0089484 2.3385379 69 Cd 2.5251173 0.1517746 -0.1126664 0.0976509 2.6740184 0.0769324 0.0276895 -0.0089484 2.3385379 70 Cd 2.5251173 -0.1517746 0.1126664 -0.0976509 2.6740184 0.0769324 -0.0276895 -0.0089484 2.3385379 71 Cd 2.5251173 -0.1517746 -0.1126664 -0.0976509 2.6740184 -0.0769324 0.0276895 0.0089484 2.3385379 72 Cd 2.5251173 0.1517746 0.1126664 0.0976509 2.6740184 -0.0769324 -0.0276895 0.0089484 2.3385379 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 2026-01-07 20:24:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:24:38]------------------------- 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: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.046515229999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.672881489999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.698682619999998 Atomic positions (fractional): 1 O 0.65893608159488 0.13449821075547 0.50284119356525 15.999 2 O 0.15893608159488 0.36550178924453 0.49715880643475 15.999 3 O 0.34106391840512 0.63449821075547 0.99715880643475 15.999 4 O 0.84106391840512 0.86550178924453 0.00284119356525 15.999 5 O 0.34106391840512 0.86550178924453 0.49715880643475 15.999 6 O 0.84106391840512 0.63449821075547 0.50284119356525 15.999 7 O 0.65893608159488 0.36550178924453 0.00284119356525 15.999 8 O 0.15893608159488 0.13449821075547 0.99715880643475 15.999 9 O 0.85787817375351 0.31579278096637 0.58888607475206 15.999 10 O 0.35787817375351 0.18420721903363 0.41111392524794 15.999 11 O 0.14212182624649 0.81579278096637 0.91111392524794 15.999 12 O 0.64212182624649 0.68420721903363 0.08888607475206 15.999 13 O 0.14212182624649 0.68420721903363 0.41111392524794 15.999 14 O 0.64212182624649 0.81579278096637 0.58888607475206 15.999 15 O 0.85787817375351 0.18420721903363 0.08888607475206 15.999 16 O 0.35787817375351 0.31579278096637 0.91111392524794 15.999 17 O 0.13866018111431 0.15185264197788 0.60356645796326 15.999 18 O 0.14181916687526 0.40225809640713 0.67656029971994 15.999 19 O 0.63866018111431 0.34814735802212 0.39643354203674 15.999 20 O 0.36133981888569 0.84814735802212 0.10356645796326 15.999 21 O 0.86133981888569 0.84814735802212 0.39643354203674 15.999 22 O 0.36133981888569 0.65185264197788 0.60356645796326 15.999 23 O 0.13866018111431 0.34814735802212 0.10356645796326 15.999 24 O 0.63866018111431 0.15185264197788 0.89643354203674 15.999 25 O 0.01384644610031 0.29685443616596 0.87258383162913 15.999 26 O 0.51384644610031 0.20314556383404 0.12741616837087 15.999 27 O 0.98615355389969 0.79685443616596 0.62741616837087 15.999 28 O 0.48615355389969 0.70314556383404 0.37258383162913 15.999 29 O 0.98615355389969 0.70314556383404 0.12741616837087 15.999 30 O 0.48615355389969 0.79685443616596 0.87258383162913 15.999 31 O 0.01384644610031 0.20314556383404 0.37258383162913 15.999 32 O 0.51384644610031 0.29685443616596 0.62741616837087 15.999 33 O 0.24238800191437 0.09964144337533 0.82196882602366 15.999 34 O 0.74238800191437 0.40035855662467 0.17803117397633 15.999 35 O 0.75761199808563 0.59964144337533 0.67803117397634 15.999 36 O 0.25761199808563 0.90035855662467 0.32196882602367 15.999 37 O 0.75761199808563 0.90035855662467 0.17803117397633 15.999 38 O 0.25761199808563 0.59964144337533 0.82196882602366 15.999 39 O 0.24238800191437 0.40035855662467 0.32196882602367 15.999 40 O 0.74238800191437 0.09964144337533 0.67803117397634 15.999 41 O 0.64181916687527 0.40225809640713 0.82343970028006 15.999 42 O 0.14181916687526 0.09774190359287 0.17656029971994 15.999 43 O 0.35818083312473 0.90225809640713 0.67656029971994 15.999 44 O 0.85818083312473 0.59774190359287 0.32343970028006 15.999 45 O 0.35818083312473 0.59774190359287 0.17656029971994 15.999 46 O 0.85818083312473 0.90225809640713 0.82343970028006 15.999 47 O 0.64181916687527 0.09774190359287 0.32343970028006 15.999 48 O 0.86133981888569 0.65185264197788 0.89643354203674 15.999 49 P 0.08469823699654 0.30062125617835 0.59780031684919 30.974 50 P 0.58469823699654 0.19937874382165 0.40219968315081 30.974 51 P 0.91530176300346 0.80062125617835 0.90219968315081 30.974 52 P 0.41530176300346 0.69937874382165 0.09780031684920 30.974 53 P 0.91530176300346 0.69937874382165 0.40219968315081 30.974 54 P 0.41530176300346 0.80062125617835 0.59780031684919 30.974 55 P 0.08469823699654 0.19937874382165 0.09780031684920 30.974 56 P 0.58469823699654 0.30062125617835 0.90219968315081 30.974 57 P 0.68471867950557 0.21107810899888 0.60646305785459 30.974 58 P 0.18471867950557 0.28892189100112 0.39353694214541 30.974 59 P 0.31528132049443 0.71107810899888 0.89353694214541 30.974 60 P 0.81528132049443 0.78892189100112 0.10646305785459 30.974 61 P 0.31528132049443 0.78892189100112 0.39353694214541 30.974 62 P 0.81528132049443 0.71107810899888 0.60646305785459 30.974 63 P 0.68471867950557 0.28892189100112 0.10646305785459 30.974 64 P 0.18471867950557 0.21107810899888 0.89353694214541 30.974 65 Cd 0.54973390009276 0.99224673795994 0.79376836709569 112.411 66 Cd 0.04973390009276 0.50775326204006 0.20623163290431 112.411 67 Cd 0.45026609990724 0.49224673795994 0.70623163290431 112.411 68 Cd 0.95026609990724 0.00775326204006 0.29376836709569 112.411 69 Cd 0.45026609990724 0.00775326204006 0.20623163290431 112.411 70 Cd 0.95026609990724 0.49224673795994 0.79376836709569 112.411 71 Cd 0.54973390009276 0.50775326204006 0.29376836709569 112.411 72 Cd 0.04973390009276 0.99224673795994 0.70623163290431 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.093030459999998 0.000000000000000 0.000000000000000 b 0.000000000000000 9.672881489999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.698682619999998 Atomic positions (fractional): 1 O 0.32946804079744 0.13449821075547 0.50284119356525 15.999 > 1 2 O 0.82946804079744 0.13449821075547 0.50284119356525 15.999 > 1 3 O 0.07946804079744 0.36550178924453 0.49715880643475 15.999 > 3 4 O 0.57946804079744 0.36550178924453 0.49715880643475 15.999 > 3 5 O 0.17053195920256 0.63449821075547 0.99715880643475 15.999 > 5 6 O 0.67053195920256 0.63449821075547 0.99715880643475 15.999 > 5 7 O 0.42053195920256 0.86550178924453 0.00284119356525 15.999 > 7 8 O 0.92053195920256 0.86550178924453 0.00284119356525 15.999 > 7 9 O 0.17053195920256 0.86550178924453 0.49715880643475 15.999 > 9 10 O 0.67053195920256 0.86550178924453 0.49715880643475 15.999 > 9 11 O 0.42053195920256 0.63449821075547 0.50284119356525 15.999 > 11 12 O 0.92053195920256 0.63449821075547 0.50284119356525 15.999 > 11 13 O 0.32946804079744 0.36550178924453 0.00284119356525 15.999 > 13 14 O 0.82946804079744 0.36550178924453 0.00284119356525 15.999 > 13 15 O 0.07946804079744 0.13449821075547 0.99715880643475 15.999 > 15 16 O 0.57946804079744 0.13449821075547 0.99715880643475 15.999 > 15 17 O 0.42893908687676 0.31579278096637 0.58888607475206 15.999 > 17 18 O 0.92893908687676 0.31579278096637 0.58888607475206 15.999 > 17 19 O 0.17893908687676 0.18420721903363 0.41111392524794 15.999 > 19 20 O 0.67893908687676 0.18420721903363 0.41111392524794 15.999 > 19 21 O 0.07106091312324 0.81579278096637 0.91111392524794 15.999 > 21 22 O 0.57106091312324 0.81579278096637 0.91111392524794 15.999 > 21 23 O 0.32106091312324 0.68420721903363 0.08888607475206 15.999 > 23 24 O 0.82106091312324 0.68420721903363 0.08888607475206 15.999 > 23 25 O 0.07106091312324 0.68420721903363 0.41111392524794 15.999 > 25 26 O 0.57106091312324 0.68420721903363 0.41111392524794 15.999 > 25 27 O 0.32106091312324 0.81579278096637 0.58888607475206 15.999 > 27 28 O 0.82106091312324 0.81579278096637 0.58888607475206 15.999 > 27 29 O 0.42893908687676 0.18420721903363 0.08888607475206 15.999 > 29 30 O 0.92893908687676 0.18420721903363 0.08888607475206 15.999 > 29 31 O 0.17893908687676 0.31579278096637 0.91111392524794 15.999 > 31 32 O 0.67893908687676 0.31579278096637 0.91111392524794 15.999 > 31 33 O 0.06933009055716 0.15185264197788 0.60356645796326 15.999 > 33 34 O 0.56933009055716 0.15185264197788 0.60356645796326 15.999 > 33 35 O 0.07090958343763 0.40225809640713 0.67656029971994 15.999 > 35 36 O 0.57090958343763 0.40225809640713 0.67656029971994 15.999 > 35 37 O 0.31933009055716 0.34814735802212 0.39643354203674 15.999 > 37 38 O 0.81933009055716 0.34814735802212 0.39643354203674 15.999 > 37 39 O 0.18066990944284 0.84814735802212 0.10356645796326 15.999 > 39 40 O 0.68066990944284 0.84814735802212 0.10356645796326 15.999 > 39 41 O 0.43066990944284 0.84814735802212 0.39643354203674 15.999 > 41 42 O 0.93066990944284 0.84814735802212 0.39643354203674 15.999 > 41 43 O 0.18066990944284 0.65185264197788 0.60356645796326 15.999 > 43 44 O 0.68066990944284 0.65185264197788 0.60356645796326 15.999 > 43 45 O 0.06933009055716 0.34814735802212 0.10356645796326 15.999 > 45 46 O 0.56933009055716 0.34814735802212 0.10356645796326 15.999 > 45 47 O 0.31933009055716 0.15185264197788 0.89643354203674 15.999 > 47 48 O 0.81933009055716 0.15185264197788 0.89643354203674 15.999 > 47 49 O 0.00692322305015 0.29685443616596 0.87258383162913 15.999 > 49 50 O 0.50692322305015 0.29685443616596 0.87258383162913 15.999 > 49 51 O 0.25692322305015 0.20314556383404 0.12741616837087 15.999 > 51 52 O 0.75692322305015 0.20314556383404 0.12741616837087 15.999 > 51 53 O 0.49307677694985 0.79685443616596 0.62741616837087 15.999 > 53 54 O 0.99307677694985 0.79685443616596 0.62741616837087 15.999 > 53 55 O 0.24307677694985 0.70314556383404 0.37258383162913 15.999 > 55 56 O 0.74307677694985 0.70314556383404 0.37258383162913 15.999 > 55 57 O 0.49307677694985 0.70314556383404 0.12741616837087 15.999 > 57 58 O 0.99307677694985 0.70314556383404 0.12741616837087 15.999 > 57 59 O 0.24307677694985 0.79685443616596 0.87258383162913 15.999 > 59 60 O 0.74307677694985 0.79685443616596 0.87258383162913 15.999 > 59 61 O 0.00692322305015 0.20314556383404 0.37258383162913 15.999 > 61 62 O 0.50692322305015 0.20314556383404 0.37258383162913 15.999 > 61 63 O 0.25692322305015 0.29685443616596 0.62741616837087 15.999 > 63 64 O 0.75692322305015 0.29685443616596 0.62741616837087 15.999 > 63 65 O 0.12119400095719 0.09964144337533 0.82196882602366 15.999 > 65 66 O 0.62119400095719 0.09964144337533 0.82196882602366 15.999 > 65 67 O 0.37119400095719 0.40035855662467 0.17803117397633 15.999 > 67 68 O 0.87119400095719 0.40035855662467 0.17803117397633 15.999 > 67 69 O 0.37880599904281 0.59964144337533 0.67803117397634 15.999 > 69 70 O 0.87880599904281 0.59964144337533 0.67803117397634 15.999 > 69 71 O 0.12880599904281 0.90035855662467 0.32196882602367 15.999 > 71 72 O 0.62880599904281 0.90035855662467 0.32196882602367 15.999 > 71 73 O 0.37880599904281 0.90035855662467 0.17803117397633 15.999 > 73 74 O 0.87880599904281 0.90035855662467 0.17803117397633 15.999 > 73 75 O 0.12880599904281 0.59964144337533 0.82196882602366 15.999 > 75 76 O 0.62880599904281 0.59964144337533 0.82196882602366 15.999 > 75 77 O 0.12119400095719 0.40035855662467 0.32196882602367 15.999 > 77 78 O 0.62119400095719 0.40035855662467 0.32196882602367 15.999 > 77 79 O 0.37119400095719 0.09964144337533 0.67803117397634 15.999 > 79 80 O 0.87119400095719 0.09964144337533 0.67803117397634 15.999 > 79 81 O 0.32090958343763 0.40225809640713 0.82343970028006 15.999 > 81 82 O 0.82090958343763 0.40225809640713 0.82343970028006 15.999 > 81 83 O 0.07090958343763 0.09774190359287 0.17656029971994 15.999 > 83 84 O 0.57090958343763 0.09774190359287 0.17656029971994 15.999 > 83 85 O 0.17909041656237 0.90225809640713 0.67656029971994 15.999 > 85 86 O 0.67909041656237 0.90225809640713 0.67656029971994 15.999 > 85 87 O 0.42909041656237 0.59774190359287 0.32343970028006 15.999 > 87 88 O 0.92909041656237 0.59774190359287 0.32343970028006 15.999 > 87 89 O 0.17909041656237 0.59774190359287 0.17656029971994 15.999 > 89 90 O 0.67909041656237 0.59774190359287 0.17656029971994 15.999 > 89 91 O 0.42909041656237 0.90225809640713 0.82343970028006 15.999 > 91 92 O 0.92909041656237 0.90225809640713 0.82343970028006 15.999 > 91 93 O 0.32090958343763 0.09774190359287 0.32343970028006 15.999 > 93 94 O 0.82090958343763 0.09774190359287 0.32343970028006 15.999 > 93 95 O 0.43066990944284 0.65185264197788 0.89643354203674 15.999 > 95 96 O 0.93066990944284 0.65185264197788 0.89643354203674 15.999 > 95 97 P 0.04234911849827 0.30062125617835 0.59780031684919 30.974 > 97 98 P 0.54234911849827 0.30062125617835 0.59780031684919 30.974 > 97 99 P 0.29234911849827 0.19937874382165 0.40219968315081 30.974 > 99 100 P 0.79234911849827 0.19937874382165 0.40219968315081 30.974 > 99 101 P 0.45765088150173 0.80062125617835 0.90219968315081 30.974 > 101 102 P 0.95765088150173 0.80062125617835 0.90219968315081 30.974 > 101 103 P 0.20765088150173 0.69937874382165 0.09780031684920 30.974 > 103 104 P 0.70765088150173 0.69937874382165 0.09780031684920 30.974 > 103 105 P 0.45765088150173 0.69937874382165 0.40219968315081 30.974 > 105 106 P 0.95765088150173 0.69937874382165 0.40219968315081 30.974 > 105 107 P 0.20765088150173 0.80062125617835 0.59780031684919 30.974 > 107 108 P 0.70765088150173 0.80062125617835 0.59780031684919 30.974 > 107 109 P 0.04234911849827 0.19937874382165 0.09780031684920 30.974 > 109 110 P 0.54234911849827 0.19937874382165 0.09780031684920 30.974 > 109 111 P 0.29234911849827 0.30062125617835 0.90219968315081 30.974 > 111 112 P 0.79234911849827 0.30062125617835 0.90219968315081 30.974 > 111 113 P 0.34235933975278 0.21107810899888 0.60646305785459 30.974 > 113 114 P 0.84235933975278 0.21107810899888 0.60646305785459 30.974 > 113 115 P 0.09235933975278 0.28892189100112 0.39353694214541 30.974 > 115 116 P 0.59235933975278 0.28892189100112 0.39353694214541 30.974 > 115 117 P 0.15764066024722 0.71107810899888 0.89353694214541 30.974 > 117 118 P 0.65764066024722 0.71107810899888 0.89353694214541 30.974 > 117 119 P 0.40764066024722 0.78892189100112 0.10646305785459 30.974 > 119 120 P 0.90764066024722 0.78892189100112 0.10646305785459 30.974 > 119 121 P 0.15764066024722 0.78892189100112 0.39353694214541 30.974 > 121 122 P 0.65764066024722 0.78892189100112 0.39353694214541 30.974 > 121 123 P 0.40764066024722 0.71107810899888 0.60646305785459 30.974 > 123 124 P 0.90764066024722 0.71107810899888 0.60646305785459 30.974 > 123 125 P 0.34235933975278 0.28892189100112 0.10646305785459 30.974 > 125 126 P 0.84235933975278 0.28892189100112 0.10646305785459 30.974 > 125 127 P 0.09235933975278 0.21107810899888 0.89353694214541 30.974 > 127 128 P 0.59235933975278 0.21107810899888 0.89353694214541 30.974 > 127 129 Cd 0.27486695004638 0.99224673795994 0.79376836709569 112.411 > 129 130 Cd 0.77486695004638 0.99224673795994 0.79376836709569 112.411 > 129 131 Cd 0.02486695004638 0.50775326204006 0.20623163290431 112.411 > 131 132 Cd 0.52486695004638 0.50775326204006 0.20623163290431 112.411 > 131 133 Cd 0.22513304995362 0.49224673795994 0.70623163290431 112.411 > 133 134 Cd 0.72513304995362 0.49224673795994 0.70623163290431 112.411 > 133 135 Cd 0.47513304995362 0.00775326204006 0.29376836709569 112.411 > 135 136 Cd 0.97513304995362 0.00775326204006 0.29376836709569 112.411 > 135 137 Cd 0.22513304995362 0.00775326204006 0.20623163290431 112.411 > 137 138 Cd 0.72513304995362 0.00775326204006 0.20623163290431 112.411 > 137 139 Cd 0.47513304995362 0.49224673795994 0.79376836709569 112.411 > 139 140 Cd 0.97513304995362 0.49224673795994 0.79376836709569 112.411 > 139 141 Cd 0.27486695004638 0.50775326204006 0.29376836709569 112.411 > 141 142 Cd 0.77486695004638 0.50775326204006 0.29376836709569 112.411 > 141 143 Cd 0.02486695004638 0.99224673795994 0.70623163290431 112.411 > 143 144 Cd 0.52486695004638 0.99224673795994 0.70623163290431 112.411 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8866689 0.0000000 0.0000000 0.0000000 2.8206311 0.0000000 0.0000000 0.0000000 2.9068073 -------------------------- Born effective charges -------------------------- 1 O -1.0677507 0.0255552 -0.7147344 0.0973620 -1.0624837 -0.0823277 -0.4926504 -0.0611394 -3.1738556 2 O -1.0677507 -0.0255552 0.7147344 -0.0973620 -1.0624837 -0.0823277 0.4926504 -0.0611394 -3.1738556 3 O -1.0677507 -0.0255552 -0.7147344 -0.0973620 -1.0624837 0.0823277 -0.4926504 0.0611394 -3.1738556 4 O -1.0677507 0.0255552 0.7147344 0.0973620 -1.0624837 0.0823277 0.4926504 0.0611394 -3.1738556 5 O -1.0677507 0.0255552 -0.7147344 0.0973620 -1.0624837 -0.0823277 -0.4926504 -0.0611394 -3.1738556 6 O -1.0677507 -0.0255552 0.7147344 -0.0973620 -1.0624837 -0.0823277 0.4926504 -0.0611394 -3.1738556 7 O -1.0677507 -0.0255552 -0.7147344 -0.0973620 -1.0624837 0.0823277 -0.4926504 0.0611394 -3.1738556 8 O -1.0677507 0.0255552 0.7147344 0.0973620 -1.0624837 0.0823277 0.4926504 0.0611394 -3.1738556 9 O -3.0726790 -0.6907994 0.0429086 -0.5107637 -1.2064507 0.0429370 0.0147312 0.0698522 -0.9402295 10 O -3.0726790 0.6907994 -0.0429086 0.5107637 -1.2064507 0.0429370 -0.0147312 0.0698522 -0.9402295 11 O -3.0726790 0.6907994 0.0429086 0.5107637 -1.2064507 -0.0429370 0.0147312 -0.0698522 -0.9402295 12 O -3.0726790 -0.6907994 -0.0429086 -0.5107637 -1.2064507 -0.0429370 -0.0147312 -0.0698522 -0.9402295 13 O -3.0726790 -0.6907994 0.0429086 -0.5107637 -1.2064507 0.0429370 0.0147312 0.0698522 -0.9402295 14 O -3.0726790 0.6907994 -0.0429086 0.5107637 -1.2064507 0.0429370 -0.0147312 0.0698522 -0.9402295 15 O -3.0726790 0.6907994 0.0429086 0.5107637 -1.2064507 -0.0429370 0.0147312 -0.0698522 -0.9402295 16 O -3.0726790 -0.6907994 -0.0429086 -0.5107637 -1.2064507 -0.0429370 -0.0147312 -0.0698522 -0.9402295 17 O -1.1008770 0.0000468 0.0461290 0.0576566 -1.8868553 0.1795722 0.0059474 0.5016502 -1.1890396 18 O -1.5002862 -0.2792603 -0.1937511 -0.2318606 -1.6287332 -0.7654892 -0.0844708 -0.7094443 -1.8393434 19 O -1.1008770 -0.0000468 -0.0461290 -0.0576566 -1.8868553 0.1795722 -0.0059474 0.5016502 -1.1890396 20 O -1.1008770 0.0000468 -0.0461290 0.0576566 -1.8868553 -0.1795722 -0.0059474 -0.5016502 -1.1890396 21 O -1.1008770 0.0000468 0.0461290 0.0576566 -1.8868553 0.1795722 0.0059474 0.5016502 -1.1890396 22 O -1.1008770 -0.0000468 -0.0461290 -0.0576566 -1.8868553 0.1795722 -0.0059474 0.5016502 -1.1890396 23 O -1.1008770 -0.0000468 0.0461290 -0.0576566 -1.8868553 -0.1795722 0.0059474 -0.5016502 -1.1890396 24 O -1.1008770 0.0000468 -0.0461290 0.0576566 -1.8868553 -0.1795722 -0.0059474 -0.5016502 -1.1890396 25 O -1.6400469 0.5106418 -0.1169268 0.6059455 -1.5161448 0.1946967 -0.3122268 0.4370892 -1.2529735 26 O -1.6400469 -0.5106418 0.1169268 -0.6059455 -1.5161448 0.1946967 0.3122268 0.4370892 -1.2529735 27 O -1.6400469 -0.5106418 -0.1169268 -0.6059455 -1.5161448 -0.1946967 -0.3122268 -0.4370892 -1.2529735 28 O -1.6400469 0.5106418 0.1169268 0.6059455 -1.5161448 -0.1946967 0.3122268 -0.4370892 -1.2529735 29 O -1.6400469 0.5106418 -0.1169268 0.6059455 -1.5161448 0.1946967 -0.3122268 0.4370892 -1.2529735 30 O -1.6400469 -0.5106418 0.1169268 -0.6059455 -1.5161448 0.1946967 0.3122268 0.4370892 -1.2529735 31 O -1.6400469 -0.5106418 -0.1169268 -0.6059455 -1.5161448 -0.1946967 -0.3122268 -0.4370892 -1.2529735 32 O -1.6400469 0.5106418 0.1169268 0.6059455 -1.5161448 -0.1946967 0.3122268 -0.4370892 -1.2529735 33 O -1.4265720 0.0779590 0.0221403 0.2840430 -1.6834687 -0.7437954 0.0954222 -0.7059312 -1.6583619 34 O -1.4265720 -0.0779590 -0.0221403 -0.2840430 -1.6834687 -0.7437954 -0.0954222 -0.7059312 -1.6583619 35 O -1.4265720 -0.0779590 0.0221403 -0.2840430 -1.6834687 0.7437954 0.0954222 0.7059312 -1.6583619 36 O -1.4265720 0.0779590 -0.0221403 0.2840430 -1.6834687 0.7437954 -0.0954222 0.7059312 -1.6583619 37 O -1.4265720 0.0779590 0.0221403 0.2840430 -1.6834687 -0.7437954 0.0954222 -0.7059312 -1.6583619 38 O -1.4265720 -0.0779590 -0.0221403 -0.2840430 -1.6834687 -0.7437954 -0.0954222 -0.7059312 -1.6583619 39 O -1.4265720 -0.0779590 0.0221403 -0.2840430 -1.6834687 0.7437954 0.0954222 0.7059312 -1.6583619 40 O -1.4265720 0.0779590 -0.0221403 0.2840430 -1.6834687 0.7437954 -0.0954222 0.7059312 -1.6583619 41 O -1.5002862 -0.2792603 0.1937511 -0.2318606 -1.6287332 0.7654892 0.0844708 0.7094443 -1.8393434 42 O -1.5002862 0.2792603 -0.1937511 0.2318606 -1.6287332 0.7654892 -0.0844708 0.7094443 -1.8393434 43 O -1.5002862 0.2792603 0.1937511 0.2318606 -1.6287332 -0.7654892 0.0844708 -0.7094443 -1.8393434 44 O -1.5002862 -0.2792603 -0.1937511 -0.2318606 -1.6287332 -0.7654892 -0.0844708 -0.7094443 -1.8393434 45 O -1.5002862 -0.2792603 0.1937511 -0.2318606 -1.6287332 0.7654892 0.0844708 0.7094443 -1.8393434 46 O -1.5002862 0.2792603 -0.1937511 0.2318606 -1.6287332 0.7654892 -0.0844708 0.7094443 -1.8393434 47 O -1.5002862 0.2792603 0.1937511 0.2318606 -1.6287332 -0.7654892 0.0844708 -0.7094443 -1.8393434 48 O -1.1008770 -0.0000468 0.0461290 -0.0576566 -1.8868553 -0.1795722 0.0059474 -0.5016502 -1.1890396 49 P 3.7075191 0.2839870 0.0004146 0.2409655 3.2003196 0.6409717 -0.0543825 -0.2567627 3.8336510 50 P 3.7075191 -0.2839870 -0.0004146 -0.2409655 3.2003196 0.6409717 0.0543825 -0.2567627 3.8336510 51 P 3.7075191 -0.2839870 0.0004146 -0.2409655 3.2003196 -0.6409717 -0.0543825 0.2567627 3.8336510 52 P 3.7075191 0.2839870 -0.0004146 0.2409655 3.2003196 -0.6409717 0.0543825 0.2567627 3.8336510 53 P 3.7075191 0.2839870 0.0004146 0.2409655 3.2003196 0.6409717 -0.0543825 -0.2567627 3.8336510 54 P 3.7075191 -0.2839870 -0.0004146 -0.2409655 3.2003196 0.6409717 0.0543825 -0.2567627 3.8336510 55 P 3.7075191 -0.2839870 0.0004146 -0.2409655 3.2003196 -0.6409717 -0.0543825 0.2567627 3.8336510 56 P 3.7075191 0.2839870 -0.0004146 0.2409655 3.2003196 -0.6409717 0.0543825 0.2567627 3.8336510 57 P 3.5755753 0.5910046 0.2273431 -0.4397884 3.1097984 -0.5036359 0.0817005 0.2027842 3.8816146 58 P 3.5755753 -0.5910046 -0.2273431 0.4397884 3.1097984 -0.5036359 -0.0817005 0.2027842 3.8816146 59 P 3.5755753 -0.5910046 0.2273431 0.4397884 3.1097984 0.5036359 0.0817005 -0.2027842 3.8816146 60 P 3.5755753 0.5910046 -0.2273431 -0.4397884 3.1097984 0.5036359 -0.0817005 -0.2027842 3.8816146 61 P 3.5755753 0.5910046 0.2273431 -0.4397884 3.1097984 -0.5036359 0.0817005 0.2027842 3.8816146 62 P 3.5755753 -0.5910046 -0.2273431 0.4397884 3.1097984 -0.5036359 -0.0817005 0.2027842 3.8816146 63 P 3.5755753 -0.5910046 0.2273431 0.4397884 3.1097984 0.5036359 0.0817005 -0.2027842 3.8816146 64 P 3.5755753 0.5910046 -0.2273431 -0.4397884 3.1097984 0.5036359 -0.0817005 -0.2027842 3.8816146 65 Cd 2.5251173 0.1517746 -0.1126664 0.0976509 2.6740184 0.0769324 0.0276895 -0.0089484 2.3385379 66 Cd 2.5251173 -0.1517746 0.1126664 -0.0976509 2.6740184 0.0769324 -0.0276895 -0.0089484 2.3385379 67 Cd 2.5251173 -0.1517746 -0.1126664 -0.0976509 2.6740184 -0.0769324 0.0276895 0.0089484 2.3385379 68 Cd 2.5251173 0.1517746 0.1126664 0.0976509 2.6740184 -0.0769324 -0.0276895 0.0089484 2.3385379 69 Cd 2.5251173 0.1517746 -0.1126664 0.0976509 2.6740184 0.0769324 0.0276895 -0.0089484 2.3385379 70 Cd 2.5251173 -0.1517746 0.1126664 -0.0976509 2.6740184 0.0769324 -0.0276895 -0.0089484 2.3385379 71 Cd 2.5251173 -0.1517746 -0.1126664 -0.0976509 2.6740184 -0.0769324 0.0276895 0.0089484 2.3385379 72 Cd 2.5251173 0.1517746 0.1126664 0.0976509 2.6740184 -0.0769324 -0.0276895 0.0089484 2.3385379 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 5 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 291, 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 1.570 ( 0.000 0.000 0.000) 0.000 1.630 ( 0.000 0.000 0.000) 0.000 1.680 ( 0.000 0.000 0.000) 0.000 1.708 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.145 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.532 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.444 ( 0.000 0.000 0.000) 0.000 3.514 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.365 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 4.904 ( 0.000 0.000 0.000) 0.000 4.931 ( 0.000 0.000 0.000) 0.000 5.081 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.295 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.447 ( 0.000 0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 5.990 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.218 ( 0.000 0.000 0.000) 0.000 6.227 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.515 ( 0.000 0.000 0.000) 0.000 6.718 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.897 ( 0.000 0.000 0.000) 0.000 8.080 ( 0.000 0.000 0.000) 0.000 8.094 ( 0.000 0.000 0.000) 0.000 8.144 ( 0.000 0.000 0.000) 0.000 8.166 ( 0.000 0.000 0.000) 0.000 8.258 ( 0.000 0.000 0.000) 0.000 8.312 ( 0.000 0.000 0.000) 0.000 8.324 ( 0.000 0.000 0.000) 0.000 8.384 ( 0.000 0.000 0.000) 0.000 9.153 ( 0.000 0.000 0.000) 0.000 9.188 ( 0.000 0.000 0.000) 0.000 9.268 ( 0.000 0.000 0.000) 0.000 9.325 ( 0.000 0.000 0.000) 0.000 9.344 ( 0.000 0.000 0.000) 0.000 9.386 ( 0.000 0.000 0.000) 0.000 9.411 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 0.000) 0.000 9.811 ( 0.000 0.000 0.000) 0.000 9.846 ( 0.000 0.000 0.000) 0.000 9.892 ( 0.000 0.000 0.000) 0.000 9.895 ( 0.000 0.000 0.000) 0.000 9.994 ( 0.000 0.000 0.000) 0.000 10.077 ( 0.000 0.000 0.000) 0.000 10.236 ( 0.000 0.000 0.000) 0.000 10.455 ( 0.000 0.000 0.000) 0.000 10.714 ( 0.000 0.000 0.000) 0.000 10.849 ( 0.000 0.000 0.000) 0.000 10.873 ( 0.000 0.000 0.000) 0.000 10.879 ( 0.000 0.000 0.000) 0.000 10.960 ( 0.000 0.000 0.000) 0.000 11.157 ( 0.000 0.000 0.000) 0.000 11.276 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 0.000) 0.000 11.759 ( 0.000 0.000 0.000) 0.000 11.805 ( 0.000 0.000 0.000) 0.000 11.827 ( 0.000 0.000 0.000) 0.000 11.889 ( 0.000 0.000 0.000) 0.000 11.980 ( 0.000 0.000 0.000) 0.000 12.171 ( 0.000 0.000 0.000) 0.000 12.297 ( 0.000 0.000 0.000) 0.000 12.304 ( 0.000 0.000 0.000) 0.000 12.312 ( 0.000 0.000 0.000) 0.000 12.361 ( 0.000 0.000 0.000) 0.000 12.399 ( 0.000 0.000 0.000) 0.000 12.474 ( 0.000 0.000 0.000) 0.000 12.577 ( 0.000 0.000 0.000) 0.000 12.757 ( 0.000 0.000 0.000) 0.000 12.761 ( 0.000 0.000 0.000) 0.000 12.776 ( 0.000 0.000 0.000) 0.000 12.797 ( 0.000 0.000 0.000) 0.000 12.999 ( 0.000 0.000 0.000) 0.000 13.471 ( 0.000 0.000 0.000) 0.000 13.534 ( 0.000 0.000 0.000) 0.000 13.990 ( 0.000 0.000 0.000) 0.000 13.999 ( 0.000 0.000 0.000) 0.000 14.158 ( 0.000 0.000 0.000) 0.000 14.241 ( 0.000 0.000 0.000) 0.000 14.388 ( 0.000 0.000 0.000) 0.000 14.424 ( 0.000 0.000 0.000) 0.000 14.443 ( 0.000 0.000 0.000) 0.000 14.516 ( 0.000 0.000 0.000) 0.000 14.582 ( 0.000 0.000 0.000) 0.000 14.931 ( 0.000 0.000 0.000) 0.000 15.014 ( 0.000 0.000 0.000) 0.000 15.249 ( 0.000 0.000 0.000) 0.000 15.727 ( 0.000 0.000 0.000) 0.000 15.738 ( 0.000 0.000 0.000) 0.000 15.817 ( 0.000 0.000 0.000) 0.000 16.043 ( 0.000 0.000 0.000) 0.000 16.224 ( 0.000 0.000 0.000) 0.000 16.316 ( 0.000 0.000 0.000) 0.000 16.328 ( 0.000 0.000 0.000) 0.000 16.351 ( 0.000 0.000 0.000) 0.000 16.846 ( 0.000 0.000 0.000) 0.000 16.858 ( 0.000 0.000 0.000) 0.000 16.860 ( 0.000 0.000 0.000) 0.000 16.889 ( 0.000 0.000 0.000) 0.000 17.114 ( 0.000 0.000 0.000) 0.000 17.128 ( 0.000 0.000 0.000) 0.000 17.170 ( 0.000 0.000 0.000) 0.000 17.294 ( 0.000 0.000 0.000) 0.000 19.476 ( 0.000 0.000 0.000) 0.000 19.645 ( 0.000 0.000 0.000) 0.000 19.681 ( 0.000 0.000 0.000) 0.000 19.766 ( 0.000 0.000 0.000) 0.000 21.159 ( 0.000 0.000 0.000) 0.000 21.193 ( 0.000 0.000 0.000) 0.000 21.356 ( 0.000 0.000 0.000) 0.000 21.363 ( 0.000 0.000 0.000) 0.000 21.464 ( 0.000 0.000 0.000) 0.000 21.516 ( 0.000 0.000 0.000) 0.000 22.116 ( 0.000 0.000 0.000) 0.000 22.194 ( 0.000 0.000 0.000) 0.000 23.318 ( 0.000 0.000 0.000) 0.000 23.337 ( 0.000 0.000 0.000) 0.000 23.502 ( 0.000 0.000 0.000) 0.000 23.517 ( 0.000 0.000 0.000) 0.000 26.344 ( 0.000 0.000 0.000) 0.000 26.348 ( 0.000 0.000 0.000) 0.000 26.348 ( 0.000 0.000 0.000) 0.000 26.360 ( 0.000 0.000 0.000) 0.000 28.571 ( 0.000 0.000 0.000) 0.000 28.618 ( 0.000 0.000 0.000) 0.000 28.879 ( 0.000 0.000 0.000) 0.000 28.965 ( 0.000 0.000 0.000) 0.000 29.008 ( 0.000 0.000 0.000) 0.000 29.022 ( 0.000 0.000 0.000) 0.000 29.220 ( 0.000 0.000 0.000) 0.000 29.406 ( 0.000 0.000 0.000) 0.000 29.848 ( 0.000 0.000 0.000) 0.000 30.071 ( 0.000 0.000 0.000) 0.000 30.125 ( 0.000 0.000 0.000) 0.000 30.178 ( 0.000 0.000 0.000) 0.000 30.205 ( 0.000 0.000 0.000) 0.000 30.223 ( 0.000 0.000 0.000) 0.000 30.496 ( 0.000 0.000 0.000) 0.000 30.839 ( 0.000 0.000 0.000) 0.000 31.235 ( 0.000 0.000 0.000) 0.000 31.310 ( 0.000 0.000 0.000) 0.000 31.381 ( 0.000 0.000 0.000) 0.000 31.493 ( 0.000 0.000 0.000) 0.000 31.576 ( 0.000 0.000 0.000) 0.000 31.700 ( 0.000 0.000 0.000) 0.000 31.858 ( 0.000 0.000 0.000) 0.000 32.376 ( 0.000 0.000 0.000) 0.000 32.633 ( 0.000 0.000 0.000) 0.000 32.999 ( 0.000 0.000 0.000) 0.000 33.116 ( 0.000 0.000 0.000) 0.000 33.527 ( 0.000 0.000 0.000) 0.000 35.124 ( 0.000 0.000 0.000) 0.000 35.293 ( 0.000 0.000 0.000) 0.000 35.315 ( 0.000 0.000 0.000) 0.000 35.326 ( 0.000 0.000 0.000) 0.000 35.490 ( 0.000 0.000 0.000) 0.000 35.556 ( 0.000 0.000 0.000) 0.000 35.613 ( 0.000 0.000 0.000) 0.000 35.778 ( 0.000 0.000 0.000) 0.000 35.812 ( 0.000 0.000 0.000) 0.000 35.836 ( 0.000 0.000 0.000) 0.000 35.903 ( 0.000 0.000 0.000) 0.000 35.970 ( 0.000 0.000 0.000) 0.000 36.090 ( 0.000 0.000 0.000) 0.000 36.459 ( 0.000 0.000 0.000) 0.000 37.601 ( 0.000 0.000 0.000) 0.000 38.353 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 23.918 0.000 0.000) 23.918 0.498 ( 24.835 0.000 0.000) 24.835 1.061 ( 49.623 0.000 0.000) 49.623 1.585 ( 0.059 0.000 0.000) 0.059 1.688 ( 5.472 0.000 0.000) 5.472 1.819 ( 16.070 0.000 0.000) 16.070 1.955 ( 11.435 0.000 0.000) 11.435 1.963 ( 0.436 0.000 0.000) 0.436 2.005 ( -4.215 0.000 0.000) 4.215 2.054 ( -8.288 0.000 0.000) 8.288 2.071 ( 5.571 0.000 0.000) 5.571 2.089 ( 15.006 0.000 0.000) 15.006 2.193 ( 0.474 0.000 0.000) 0.474 2.296 ( -6.343 0.000 0.000) 6.343 2.451 ( 8.578 0.000 0.000) 8.578 2.556 ( 6.801 0.000 0.000) 6.801 2.580 ( 4.546 0.000 0.000) 4.546 2.674 ( -1.010 0.000 0.000) 1.010 2.684 ( -7.054 0.000 0.000) 7.054 2.755 ( 2.679 0.000 0.000) 2.679 2.838 ( -4.033 0.000 0.000) 4.033 2.905 ( 0.659 0.000 0.000) 0.659 2.927 ( 8.560 0.000 0.000) 8.560 2.931 ( -5.336 0.000 0.000) 5.336 3.027 ( 12.251 0.000 0.000) 12.251 3.168 ( -5.585 0.000 0.000) 5.585 3.173 ( 12.147 0.000 0.000) 12.147 3.303 ( 3.768 0.000 0.000) 3.768 3.304 ( -0.750 0.000 0.000) 0.750 3.350 ( -1.942 0.000 0.000) 1.942 3.411 ( -5.873 0.000 0.000) 5.873 3.421 ( -1.844 0.000 0.000) 1.844 3.517 ( 9.772 0.000 0.000) 9.772 3.612 ( 9.768 0.000 0.000) 9.768 3.633 ( 1.818 0.000 0.000) 1.818 3.692 ( -0.708 0.000 0.000) 0.708 3.730 ( -0.770 0.000 0.000) 0.770 3.774 ( -2.738 0.000 0.000) 2.738 3.922 ( -3.140 0.000 0.000) 3.140 3.955 ( -3.513 0.000 0.000) 3.513 4.199 ( -7.987 0.000 0.000) 7.987 4.211 ( -2.919 0.000 0.000) 2.919 4.275 ( -0.541 0.000 0.000) 0.541 4.298 ( -3.785 0.000 0.000) 3.785 4.362 ( -0.539 0.000 0.000) 0.539 4.375 ( 1.037 0.000 0.000) 1.037 4.398 ( -0.564 0.000 0.000) 0.564 4.572 ( 2.666 0.000 0.000) 2.666 4.600 ( -3.155 0.000 0.000) 3.155 4.755 ( -1.874 0.000 0.000) 1.874 4.765 ( -0.903 0.000 0.000) 0.903 4.935 ( 2.413 0.000 0.000) 2.413 4.984 ( -9.557 0.000 0.000) 9.557 4.992 ( -5.878 0.000 0.000) 5.878 5.060 ( -2.805 0.000 0.000) 2.805 5.065 ( 8.375 0.000 0.000) 8.375 5.263 ( -3.013 0.000 0.000) 3.013 5.405 ( -2.222 0.000 0.000) 2.222 5.427 ( 10.304 0.000 0.000) 10.304 5.682 ( 3.948 0.000 0.000) 3.948 5.833 ( 10.575 0.000 0.000) 10.575 5.884 ( -11.618 0.000 0.000) 11.618 6.028 ( -11.118 0.000 0.000) 11.118 6.066 ( 3.816 0.000 0.000) 3.816 6.127 ( -4.235 0.000 0.000) 4.235 6.196 ( -4.760 0.000 0.000) 4.760 6.284 ( 3.174 0.000 0.000) 3.174 6.309 ( -0.339 0.000 0.000) 0.339 6.575 ( 2.229 0.000 0.000) 2.229 6.698 ( -0.054 0.000 0.000) 0.054 6.713 ( -0.641 0.000 0.000) 0.641 6.946 ( 2.482 0.000 0.000) 2.482 8.079 ( 0.310 0.000 0.000) 0.310 8.098 ( 0.584 0.000 0.000) 0.584 8.158 ( 1.570 0.000 0.000) 1.570 8.221 ( 4.430 0.000 0.000) 4.430 8.283 ( 2.292 0.000 0.000) 2.292 8.329 ( 1.452 0.000 0.000) 1.452 8.331 ( 0.266 0.000 0.000) 0.266 8.389 ( 0.571 0.000 0.000) 0.571 9.079 ( -5.911 0.000 0.000) 5.911 9.151 ( -4.524 0.000 0.000) 4.524 9.218 ( -5.719 0.000 0.000) 5.719 9.263 ( -6.385 0.000 0.000) 6.385 9.308 ( -2.462 0.000 0.000) 2.462 9.314 ( -6.947 0.000 0.000) 6.947 9.420 ( -1.210 0.000 0.000) 1.210 9.636 ( -8.650 0.000 0.000) 8.650 9.836 ( 3.063 0.000 0.000) 3.063 9.855 ( -1.360 0.000 0.000) 1.360 9.910 ( 5.379 0.000 0.000) 5.379 9.933 ( 2.195 0.000 0.000) 2.195 10.052 ( 0.820 0.000 0.000) 0.820 10.160 ( 5.678 0.000 0.000) 5.678 10.195 ( -3.215 0.000 0.000) 3.215 10.433 ( -1.673 0.000 0.000) 1.673 10.715 ( -0.015 0.000 0.000) 0.015 10.765 ( -7.701 0.000 0.000) 7.701 10.867 ( 1.461 0.000 0.000) 1.461 10.869 ( -2.742 0.000 0.000) 2.742 10.884 ( -7.125 0.000 0.000) 7.125 11.076 ( -7.026 0.000 0.000) 7.026 11.161 ( -7.409 0.000 0.000) 7.409 11.259 ( -6.457 0.000 0.000) 6.457 11.770 ( 2.398 0.000 0.000) 2.398 11.850 ( 0.315 0.000 0.000) 0.315 11.896 ( 3.022 0.000 0.000) 3.022 11.959 ( -1.843 0.000 0.000) 1.843 12.034 ( 7.442 0.000 0.000) 7.442 12.105 ( -3.918 0.000 0.000) 3.918 12.209 ( -4.446 0.000 0.000) 4.446 12.286 ( -1.521 0.000 0.000) 1.521 12.299 ( -4.770 0.000 0.000) 4.770 12.359 ( 1.455 0.000 0.000) 1.455 12.419 ( 1.763 0.000 0.000) 1.763 12.454 ( -2.120 0.000 0.000) 2.120 12.581 ( -0.595 0.000 0.000) 0.595 12.745 ( -1.470 0.000 0.000) 1.470 12.755 ( -1.840 0.000 0.000) 1.840 12.848 ( 7.860 0.000 0.000) 7.860 12.897 ( 8.286 0.000 0.000) 8.286 12.968 ( -3.182 0.000 0.000) 3.182 13.538 ( 6.330 0.000 0.000) 6.330 13.573 ( 3.963 0.000 0.000) 3.963 13.921 ( -5.674 0.000 0.000) 5.674 13.985 ( -3.000 0.000 0.000) 3.000 14.181 ( 1.255 0.000 0.000) 1.255 14.257 ( 1.238 0.000 0.000) 1.238 14.549 ( 13.673 0.000 0.000) 13.673 14.565 ( 10.501 0.000 0.000) 10.501 14.639 ( 5.498 0.000 0.000) 5.498 14.673 ( 14.348 0.000 0.000) 14.348 14.970 ( 3.620 0.000 0.000) 3.620 14.998 ( -1.640 0.000 0.000) 1.640 15.286 ( 3.019 0.000 0.000) 3.019 15.667 ( -5.642 0.000 0.000) 5.642 15.751 ( 2.866 0.000 0.000) 2.866 15.778 ( 4.078 0.000 0.000) 4.078 15.889 ( 6.872 0.000 0.000) 6.872 15.972 ( -5.276 0.000 0.000) 5.276 16.302 ( -1.166 0.000 0.000) 1.166 16.326 ( -0.230 0.000 0.000) 0.230 16.350 ( -0.753 0.000 0.000) 0.753 16.886 ( 2.401 0.000 0.000) 2.401 16.890 ( 3.847 0.000 0.000) 3.847 16.916 ( 2.563 0.000 0.000) 2.563 16.939 ( 6.835 0.000 0.000) 6.835 16.995 ( -1.563 0.000 0.000) 1.563 17.114 ( -1.216 0.000 0.000) 1.216 17.125 ( -5.121 0.000 0.000) 5.121 17.169 ( -1.803 0.000 0.000) 1.803 17.287 ( -0.562 0.000 0.000) 0.562 19.521 ( 4.387 0.000 0.000) 4.387 19.701 ( 0.646 0.000 0.000) 0.646 19.715 ( 6.834 0.000 0.000) 6.834 19.861 ( 8.264 0.000 0.000) 8.264 20.863 ( -18.912 0.000 0.000) 18.912 20.914 ( -18.185 0.000 0.000) 18.185 21.179 ( -15.137 0.000 0.000) 15.137 21.201 ( -13.821 0.000 0.000) 13.821 21.768 ( 19.839 0.000 0.000) 19.839 21.781 ( 18.456 0.000 0.000) 18.456 22.290 ( 13.990 0.000 0.000) 13.990 22.364 ( 13.730 0.000 0.000) 13.730 23.243 ( -8.301 0.000 0.000) 8.301 23.261 ( -5.510 0.000 0.000) 5.510 23.461 ( -4.002 0.000 0.000) 4.002 23.492 ( -4.221 0.000 0.000) 4.221 26.433 ( 8.960 0.000 0.000) 8.960 26.455 ( 10.437 0.000 0.000) 10.437 26.487 ( 12.072 0.000 0.000) 12.072 27.725 ( 1.407 0.000 0.000) 1.407 28.320 ( -20.511 0.000 0.000) 20.511 28.340 ( -18.452 0.000 0.000) 18.452 28.577 ( -16.102 0.000 0.000) 16.102 28.781 ( -17.442 0.000 0.000) 17.442 29.268 ( 13.078 0.000 0.000) 13.078 29.272 ( 17.198 0.000 0.000) 17.198 29.443 ( 3.553 0.000 0.000) 3.553 29.525 ( 22.750 0.000 0.000) 22.750 29.849 ( 0.256 0.000 0.000) 0.256 30.118 ( 4.358 0.000 0.000) 4.358 30.194 ( 2.619 0.000 0.000) 2.619 30.227 ( 4.661 0.000 0.000) 4.661 30.284 ( 5.056 0.000 0.000) 5.056 30.640 ( 13.103 0.000 0.000) 13.103 30.822 ( -2.254 0.000 0.000) 2.254 31.083 ( -11.385 0.000 0.000) 11.385 31.083 ( -11.441 0.000 0.000) 11.441 31.311 ( -12.698 0.000 0.000) 12.698 31.438 ( -5.742 0.000 0.000) 5.742 31.629 ( 13.587 0.000 0.000) 13.587 31.667 ( 9.017 0.000 0.000) 9.017 31.873 ( 1.399 0.000 0.000) 1.399 31.936 ( 14.624 0.000 0.000) 14.624 32.355 ( -2.942 0.000 0.000) 2.942 32.599 ( -3.312 0.000 0.000) 3.312 32.941 ( -5.500 0.000 0.000) 5.500 33.073 ( -4.214 0.000 0.000) 4.214 33.295 ( -19.940 0.000 0.000) 19.940 35.180 ( 3.734 0.000 0.000) 3.734 35.291 ( -0.179 0.000 0.000) 0.179 35.378 ( 6.240 0.000 0.000) 6.240 35.510 ( -3.476 0.000 0.000) 3.476 35.519 ( 2.688 0.000 0.000) 2.688 35.569 ( -3.334 0.000 0.000) 3.334 35.720 ( -0.806 0.000 0.000) 0.806 35.769 ( -3.652 0.000 0.000) 3.652 35.842 ( 4.588 0.000 0.000) 4.588 35.900 ( -0.323 0.000 0.000) 0.323 35.947 ( -0.921 0.000 0.000) 0.921 36.011 ( 13.405 0.000 0.000) 13.405 36.300 ( 15.891 0.000 0.000) 15.891 36.425 ( -3.176 0.000 0.000) 3.176 37.742 ( -8.961 0.000 0.000) 8.961 38.235 ( -11.202 0.000 0.000) 11.202 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 21.266 0.000 0.000) 21.266 1.007 ( 25.255 0.000 0.000) 25.255 1.759 ( 16.951 0.000 0.000) 16.951 1.764 ( -1.574 0.000 0.000) 1.574 1.826 ( 8.829 0.000 0.000) 8.829 1.948 ( -2.284 0.000 0.000) 2.284 1.994 ( 18.616 0.000 0.000) 18.616 1.997 ( 2.911 0.000 0.000) 2.911 2.012 ( 0.710 0.000 0.000) 0.710 2.180 ( 18.136 0.000 0.000) 18.136 2.190 ( 0.792 0.000 0.000) 0.792 2.196 ( -1.187 0.000 0.000) 1.187 2.230 ( 9.212 0.000 0.000) 9.212 2.407 ( -12.839 0.000 0.000) 12.839 2.496 ( -5.134 0.000 0.000) 5.134 2.559 ( 9.625 0.000 0.000) 9.625 2.642 ( 0.746 0.000 0.000) 0.746 2.677 ( 7.115 0.000 0.000) 7.115 2.771 ( -6.897 0.000 0.000) 6.897 2.782 ( 12.843 0.000 0.000) 12.843 2.845 ( 5.694 0.000 0.000) 5.694 2.879 ( 7.719 0.000 0.000) 7.719 3.060 ( -3.261 0.000 0.000) 3.261 3.060 ( 9.883 0.000 0.000) 9.883 3.131 ( 8.198 0.000 0.000) 8.198 3.259 ( 5.014 0.000 0.000) 5.014 3.268 ( -4.887 0.000 0.000) 4.887 3.354 ( 7.271 0.000 0.000) 7.271 3.376 ( -0.901 0.000 0.000) 0.901 3.402 ( 6.423 0.000 0.000) 6.423 3.407 ( 6.368 0.000 0.000) 6.368 3.418 ( 9.058 0.000 0.000) 9.058 3.571 ( -7.443 0.000 0.000) 7.443 3.595 ( -5.115 0.000 0.000) 5.115 3.685 ( 3.823 0.000 0.000) 3.823 3.720 ( -3.170 0.000 0.000) 3.170 3.724 ( 0.901 0.000 0.000) 0.901 3.791 ( 7.634 0.000 0.000) 7.634 3.824 ( -5.302 0.000 0.000) 5.302 3.887 ( -2.257 0.000 0.000) 2.257 4.051 ( -4.687 0.000 0.000) 4.687 4.173 ( -1.262 0.000 0.000) 1.262 4.202 ( -4.401 0.000 0.000) 4.401 4.250 ( -1.695 0.000 0.000) 1.695 4.344 ( -1.050 0.000 0.000) 1.050 4.391 ( -0.140 0.000 0.000) 0.140 4.425 ( 2.253 0.000 0.000) 2.253 4.497 ( -6.900 0.000 0.000) 6.900 4.617 ( 1.619 0.000 0.000) 1.619 4.707 ( -3.784 0.000 0.000) 3.784 4.761 ( 1.343 0.000 0.000) 1.343 4.770 ( -9.504 0.000 0.000) 9.504 4.837 ( -7.350 0.000 0.000) 7.350 4.964 ( -1.101 0.000 0.000) 1.101 4.976 ( -3.519 0.000 0.000) 3.519 5.178 ( -5.126 0.000 0.000) 5.126 5.228 ( 5.172 0.000 0.000) 5.172 5.396 ( 1.106 0.000 0.000) 1.106 5.582 ( -15.914 0.000 0.000) 15.914 5.622 ( 7.116 0.000 0.000) 7.116 5.766 ( -13.741 0.000 0.000) 13.741 5.842 ( 11.853 0.000 0.000) 11.853 6.032 ( -5.986 0.000 0.000) 5.986 6.040 ( 5.122 0.000 0.000) 5.122 6.077 ( -5.203 0.000 0.000) 5.203 6.205 ( 12.514 0.000 0.000) 12.514 6.266 ( -3.121 0.000 0.000) 3.121 6.385 ( 6.932 0.000 0.000) 6.932 6.634 ( 2.807 0.000 0.000) 2.807 6.706 ( 0.430 0.000 0.000) 0.430 6.711 ( 0.257 0.000 0.000) 0.257 6.948 ( -2.640 0.000 0.000) 2.640 8.108 ( 2.793 0.000 0.000) 2.793 8.128 ( 2.492 0.000 0.000) 2.492 8.214 ( 3.778 0.000 0.000) 3.778 8.284 ( 0.807 0.000 0.000) 0.807 8.323 ( -0.977 0.000 0.000) 0.977 8.342 ( 3.267 0.000 0.000) 3.267 8.360 ( 1.390 0.000 0.000) 1.390 8.425 ( 2.663 0.000 0.000) 2.663 8.954 ( -5.743 0.000 0.000) 5.743 9.001 ( -7.999 0.000 0.000) 7.999 9.106 ( -8.782 0.000 0.000) 8.782 9.125 ( -10.586 0.000 0.000) 10.586 9.130 ( -3.084 0.000 0.000) 3.084 9.227 ( -4.685 0.000 0.000) 4.685 9.335 ( -6.594 0.000 0.000) 6.594 9.416 ( -11.839 0.000 0.000) 11.839 9.865 ( 2.643 0.000 0.000) 2.643 9.920 ( 4.362 0.000 0.000) 4.362 9.987 ( 3.120 0.000 0.000) 3.120 10.036 ( 6.199 0.000 0.000) 6.199 10.085 ( 1.928 0.000 0.000) 1.928 10.140 ( -1.844 0.000 0.000) 1.844 10.281 ( 5.661 0.000 0.000) 5.661 10.407 ( -0.771 0.000 0.000) 0.771 10.610 ( -6.378 0.000 0.000) 6.378 10.699 ( -10.004 0.000 0.000) 10.004 10.710 ( -0.173 0.000 0.000) 0.173 10.792 ( -4.310 0.000 0.000) 4.310 10.893 ( 0.827 0.000 0.000) 0.827 10.914 ( -8.273 0.000 0.000) 8.273 11.010 ( -6.830 0.000 0.000) 6.830 11.064 ( -11.153 0.000 0.000) 11.153 11.821 ( 1.520 0.000 0.000) 1.520 11.843 ( 0.194 0.000 0.000) 0.194 11.914 ( -2.372 0.000 0.000) 2.372 12.015 ( 7.437 0.000 0.000) 7.437 12.066 ( 2.107 0.000 0.000) 2.107 12.160 ( -7.490 0.000 0.000) 7.490 12.183 ( 2.301 0.000 0.000) 2.301 12.229 ( 10.081 0.000 0.000) 10.081 12.270 ( -1.147 0.000 0.000) 1.147 12.386 ( -4.552 0.000 0.000) 4.552 12.386 ( 1.680 0.000 0.000) 1.680 12.483 ( 4.613 0.000 0.000) 4.613 12.530 ( -4.328 0.000 0.000) 4.328 12.695 ( -3.936 0.000 0.000) 3.936 12.704 ( -3.309 0.000 0.000) 3.309 12.871 ( -6.167 0.000 0.000) 6.167 13.041 ( 10.853 0.000 0.000) 10.853 13.116 ( 12.492 0.000 0.000) 12.492 13.691 ( 7.794 0.000 0.000) 7.794 13.711 ( 9.954 0.000 0.000) 9.954 13.762 ( -9.927 0.000 0.000) 9.927 13.865 ( -8.673 0.000 0.000) 8.673 14.166 ( -3.212 0.000 0.000) 3.212 14.258 ( -2.411 0.000 0.000) 2.411 14.779 ( 9.593 0.000 0.000) 9.593 14.785 ( 8.046 0.000 0.000) 8.046 14.828 ( 11.439 0.000 0.000) 11.439 14.962 ( -1.267 0.000 0.000) 1.267 14.968 ( 12.487 0.000 0.000) 12.487 15.068 ( 5.908 0.000 0.000) 5.908 15.327 ( -0.064 0.000 0.000) 0.064 15.524 ( -7.968 0.000 0.000) 7.968 15.855 ( 7.160 0.000 0.000) 7.160 15.904 ( 8.156 0.000 0.000) 8.156 15.912 ( 0.859 0.000 0.000) 0.859 16.081 ( 11.591 0.000 0.000) 11.591 16.261 ( -3.328 0.000 0.000) 3.328 16.302 ( -4.074 0.000 0.000) 4.074 16.312 ( -1.534 0.000 0.000) 1.534 16.869 ( -10.813 0.000 0.000) 10.813 16.944 ( 2.999 0.000 0.000) 2.999 16.976 ( 4.082 0.000 0.000) 4.082 16.981 ( 3.561 0.000 0.000) 3.561 17.050 ( -1.701 0.000 0.000) 1.701 17.088 ( 7.041 0.000 0.000) 7.041 17.090 ( -0.958 0.000 0.000) 0.958 17.136 ( -1.540 0.000 0.000) 1.540 17.277 ( -0.412 0.000 0.000) 0.412 19.653 ( 8.595 0.000 0.000) 8.595 19.756 ( 5.253 0.000 0.000) 5.253 19.912 ( 12.209 0.000 0.000) 12.209 20.072 ( 11.924 0.000 0.000) 11.924 20.487 ( -17.827 0.000 0.000) 17.827 20.544 ( -17.895 0.000 0.000) 17.895 20.842 ( -17.075 0.000 0.000) 17.075 20.897 ( -15.182 0.000 0.000) 15.182 22.163 ( 18.734 0.000 0.000) 18.734 22.165 ( 18.781 0.000 0.000) 18.781 22.598 ( 15.458 0.000 0.000) 15.458 22.663 ( 14.759 0.000 0.000) 14.759 23.042 ( -10.962 0.000 0.000) 10.962 23.099 ( -10.310 0.000 0.000) 10.310 23.346 ( -7.168 0.000 0.000) 7.168 23.365 ( -8.269 0.000 0.000) 8.269 26.694 ( 16.330 0.000 0.000) 16.330 26.739 ( 16.881 0.000 0.000) 16.881 26.797 ( 17.721 0.000 0.000) 17.721 27.774 ( 3.570 0.000 0.000) 3.570 27.894 ( -21.016 0.000 0.000) 21.016 27.933 ( -20.667 0.000 0.000) 20.667 28.280 ( -13.196 0.000 0.000) 13.196 28.310 ( -27.474 0.000 0.000) 27.474 29.507 ( 9.803 0.000 0.000) 9.803 29.539 ( 5.404 0.000 0.000) 5.404 29.590 ( 13.392 0.000 0.000) 13.392 29.863 ( 1.004 0.000 0.000) 1.004 29.997 ( 22.548 0.000 0.000) 22.548 30.234 ( 6.701 0.000 0.000) 6.701 30.283 ( 5.639 0.000 0.000) 5.639 30.353 ( 7.401 0.000 0.000) 7.401 30.413 ( 7.488 0.000 0.000) 7.488 30.723 ( -7.429 0.000 0.000) 7.429 30.840 ( -11.847 0.000 0.000) 11.847 30.892 ( -7.584 0.000 0.000) 7.584 30.978 ( 19.165 0.000 0.000) 19.165 31.069 ( -10.814 0.000 0.000) 10.814 31.269 ( -10.761 0.000 0.000) 10.761 31.849 ( 2.628 0.000 0.000) 2.628 31.851 ( 8.713 0.000 0.000) 8.713 31.935 ( 8.716 0.000 0.000) 8.716 32.232 ( 14.305 0.000 0.000) 14.305 32.272 ( -5.088 0.000 0.000) 5.088 32.502 ( -6.164 0.000 0.000) 6.164 32.797 ( -8.027 0.000 0.000) 8.027 32.862 ( -19.556 0.000 0.000) 19.556 32.948 ( -7.975 0.000 0.000) 7.975 35.239 ( 2.094 0.000 0.000) 2.094 35.287 ( -0.238 0.000 0.000) 0.238 35.451 ( -2.003 0.000 0.000) 2.003 35.500 ( -3.009 0.000 0.000) 3.009 35.531 ( 7.633 0.000 0.000) 7.633 35.592 ( 4.050 0.000 0.000) 4.050 35.721 ( 0.264 0.000 0.000) 0.264 35.728 ( -0.672 0.000 0.000) 0.672 35.892 ( -0.355 0.000 0.000) 0.355 35.926 ( -1.218 0.000 0.000) 1.218 35.947 ( 5.584 0.000 0.000) 5.584 36.283 ( 4.355 0.000 0.000) 4.355 36.380 ( 7.700 0.000 0.000) 7.700 36.668 ( 19.815 0.000 0.000) 19.815 37.487 ( -15.722 0.000 0.000) 15.722 37.927 ( -18.421 0.000 0.000) 18.421 ======================= Grid point 3 (4/36) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 15.710 0.000 0.000) 15.710 1.516 ( 24.610 0.000 0.000) 24.610 1.598 ( -11.106 0.000 0.000) 11.106 1.889 ( 1.403 0.000 0.000) 1.403 1.905 ( -1.132 0.000 0.000) 1.132 1.955 ( -13.662 0.000 0.000) 13.662 2.040 ( 3.276 0.000 0.000) 3.276 2.102 ( -8.031 0.000 0.000) 8.031 2.180 ( 14.106 0.000 0.000) 14.106 2.220 ( 2.548 0.000 0.000) 2.548 2.243 ( 2.457 0.000 0.000) 2.457 2.273 ( 11.447 0.000 0.000) 11.447 2.337 ( -7.415 0.000 0.000) 7.415 2.431 ( 9.310 0.000 0.000) 9.310 2.508 ( 10.504 0.000 0.000) 10.504 2.555 ( -8.562 0.000 0.000) 8.562 2.634 ( -1.737 0.000 0.000) 1.737 2.691 ( 5.857 0.000 0.000) 5.857 2.857 ( -12.819 0.000 0.000) 12.819 2.907 ( -12.936 0.000 0.000) 12.936 2.999 ( 6.813 0.000 0.000) 6.813 3.012 ( 19.876 0.000 0.000) 19.876 3.013 ( 5.618 0.000 0.000) 5.618 3.137 ( 3.517 0.000 0.000) 3.517 3.174 ( 1.532 0.000 0.000) 1.532 3.275 ( 0.748 0.000 0.000) 0.748 3.330 ( -2.900 0.000 0.000) 2.900 3.352 ( -12.390 0.000 0.000) 12.390 3.468 ( 0.296 0.000 0.000) 0.296 3.472 ( 13.749 0.000 0.000) 13.749 3.476 ( 0.876 0.000 0.000) 0.876 3.556 ( 7.146 0.000 0.000) 7.146 3.600 ( 8.965 0.000 0.000) 8.965 3.642 ( 5.156 0.000 0.000) 5.156 3.664 ( -2.963 0.000 0.000) 2.963 3.674 ( -2.915 0.000 0.000) 2.915 3.724 ( -3.300 0.000 0.000) 3.300 3.785 ( -8.990 0.000 0.000) 8.990 3.844 ( 8.583 0.000 0.000) 8.583 3.892 ( 1.568 0.000 0.000) 1.568 4.064 ( 4.439 0.000 0.000) 4.439 4.119 ( -2.074 0.000 0.000) 2.074 4.136 ( -2.578 0.000 0.000) 2.578 4.204 ( -4.490 0.000 0.000) 4.490 4.339 ( 1.582 0.000 0.000) 1.582 4.358 ( -1.657 0.000 0.000) 1.657 4.378 ( -3.367 0.000 0.000) 3.367 4.426 ( -4.104 0.000 0.000) 4.104 4.618 ( -1.740 0.000 0.000) 1.740 4.630 ( -0.687 0.000 0.000) 0.687 4.679 ( 0.920 0.000 0.000) 0.920 4.736 ( -3.439 0.000 0.000) 3.439 4.827 ( 4.441 0.000 0.000) 4.441 4.902 ( -2.549 0.000 0.000) 2.549 4.966 ( 1.556 0.000 0.000) 1.556 5.062 ( -6.245 0.000 0.000) 6.245 5.259 ( -0.447 0.000 0.000) 0.447 5.319 ( -8.299 0.000 0.000) 8.299 5.429 ( 2.214 0.000 0.000) 2.214 5.526 ( -8.537 0.000 0.000) 8.537 5.752 ( 6.517 0.000 0.000) 6.517 5.892 ( -7.222 0.000 0.000) 7.222 6.022 ( -0.124 0.000 0.000) 0.124 6.051 ( -1.899 0.000 0.000) 1.899 6.067 ( 8.796 0.000 0.000) 8.796 6.194 ( -4.300 0.000 0.000) 4.300 6.495 ( 13.057 0.000 0.000) 13.057 6.547 ( 7.789 0.000 0.000) 7.789 6.651 ( -1.917 0.000 0.000) 1.917 6.676 ( -4.550 0.000 0.000) 4.550 6.744 ( 3.493 0.000 0.000) 3.493 6.849 ( -6.266 0.000 0.000) 6.266 8.185 ( 4.299 0.000 0.000) 4.299 8.194 ( 3.718 0.000 0.000) 3.718 8.257 ( -1.838 0.000 0.000) 1.838 8.262 ( -2.554 0.000 0.000) 2.554 8.329 ( 3.012 0.000 0.000) 3.012 8.373 ( -0.551 0.000 0.000) 0.551 8.406 ( 2.879 0.000 0.000) 2.879 8.449 ( -0.847 0.000 0.000) 0.847 8.877 ( -1.027 0.000 0.000) 1.027 8.894 ( -1.704 0.000 0.000) 1.704 8.937 ( -6.706 0.000 0.000) 6.706 8.942 ( -6.286 0.000 0.000) 6.286 9.108 ( 1.528 0.000 0.000) 1.528 9.160 ( -1.022 0.000 0.000) 1.022 9.203 ( -5.108 0.000 0.000) 5.108 9.205 ( -8.044 0.000 0.000) 8.044 9.946 ( 4.250 0.000 0.000) 4.250 9.982 ( 1.104 0.000 0.000) 1.104 10.054 ( 3.374 0.000 0.000) 3.374 10.109 ( -0.318 0.000 0.000) 0.318 10.113 ( 0.706 0.000 0.000) 0.706 10.120 ( -0.333 0.000 0.000) 0.333 10.369 ( 2.754 0.000 0.000) 2.754 10.397 ( -0.489 0.000 0.000) 0.489 10.533 ( -1.353 0.000 0.000) 1.353 10.545 ( -3.625 0.000 0.000) 3.625 10.719 ( -1.842 0.000 0.000) 1.842 10.731 ( 2.955 0.000 0.000) 2.955 10.762 ( -5.917 0.000 0.000) 5.917 10.849 ( -8.568 0.000 0.000) 8.568 10.900 ( 0.070 0.000 0.000) 0.070 10.918 ( -2.531 0.000 0.000) 2.531 11.840 ( 0.986 0.000 0.000) 0.986 11.870 ( -1.904 0.000 0.000) 1.904 11.886 ( 4.307 0.000 0.000) 4.307 12.007 ( -7.204 0.000 0.000) 7.204 12.154 ( 5.690 0.000 0.000) 5.690 12.159 ( 5.837 0.000 0.000) 5.837 12.238 ( -2.301 0.000 0.000) 2.301 12.276 ( -5.995 0.000 0.000) 5.995 12.281 ( 6.477 0.000 0.000) 6.477 12.417 ( -6.505 0.000 0.000) 6.505 12.437 ( 9.951 0.000 0.000) 9.951 12.449 ( 5.029 0.000 0.000) 5.029 12.581 ( -6.935 0.000 0.000) 6.935 12.597 ( 6.290 0.000 0.000) 6.290 12.609 ( -6.524 0.000 0.000) 6.524 12.732 ( -7.066 0.000 0.000) 7.066 13.279 ( 12.380 0.000 0.000) 12.380 13.383 ( 13.448 0.000 0.000) 13.448 13.532 ( -12.291 0.000 0.000) 12.291 13.648 ( -12.318 0.000 0.000) 12.318 13.870 ( 9.430 0.000 0.000) 9.430 13.929 ( 11.076 0.000 0.000) 11.076 14.051 ( -7.816 0.000 0.000) 7.816 14.139 ( -8.865 0.000 0.000) 8.865 14.920 ( 3.980 0.000 0.000) 3.980 14.926 ( 5.092 0.000 0.000) 5.092 14.953 ( -0.140 0.000 0.000) 0.140 14.964 ( 1.984 0.000 0.000) 1.984 15.162 ( 7.165 0.000 0.000) 7.165 15.203 ( 7.291 0.000 0.000) 7.291 15.277 ( -4.345 0.000 0.000) 4.345 15.360 ( -8.013 0.000 0.000) 8.013 16.001 ( 7.306 0.000 0.000) 7.306 16.026 ( 8.544 0.000 0.000) 8.544 16.087 ( 9.132 0.000 0.000) 9.132 16.154 ( -7.025 0.000 0.000) 7.025 16.188 ( -7.021 0.000 0.000) 7.021 16.243 ( -5.636 0.000 0.000) 5.636 16.339 ( 13.476 0.000 0.000) 13.476 16.615 ( -13.466 0.000 0.000) 13.466 16.995 ( 1.881 0.000 0.000) 1.881 17.024 ( -1.150 0.000 0.000) 1.150 17.042 ( 2.325 0.000 0.000) 2.325 17.051 ( 3.107 0.000 0.000) 3.107 17.073 ( -0.955 0.000 0.000) 0.955 17.102 ( -1.965 0.000 0.000) 1.965 17.205 ( 4.302 0.000 0.000) 4.302 17.261 ( -1.460 0.000 0.000) 1.460 19.866 ( 12.345 0.000 0.000) 12.345 19.924 ( 11.235 0.000 0.000) 11.235 20.149 ( -15.429 0.000 0.000) 15.429 20.191 ( 14.845 0.000 0.000) 14.845 20.200 ( -15.670 0.000 0.000) 15.670 20.328 ( 13.086 0.000 0.000) 13.086 20.505 ( -16.078 0.000 0.000) 16.078 20.601 ( -13.964 0.000 0.000) 13.964 22.517 ( 15.733 0.000 0.000) 15.733 22.529 ( 17.118 0.000 0.000) 17.118 22.804 ( -12.720 0.000 0.000) 12.720 22.849 ( -14.241 0.000 0.000) 14.241 22.899 ( 14.070 0.000 0.000) 14.070 22.943 ( 12.682 0.000 0.000) 12.682 23.162 ( -11.640 0.000 0.000) 11.640 23.173 ( -9.938 0.000 0.000) 9.938 27.069 ( 19.817 0.000 0.000) 19.817 27.112 ( 19.444 0.000 0.000) 19.444 27.204 ( 22.939 0.000 0.000) 22.939 27.476 ( -20.260 0.000 0.000) 20.260 27.517 ( -20.310 0.000 0.000) 20.310 27.730 ( -28.352 0.000 0.000) 28.352 27.876 ( 6.598 0.000 0.000) 6.598 28.044 ( -10.012 0.000 0.000) 10.012 29.636 ( 3.303 0.000 0.000) 3.303 29.642 ( 3.147 0.000 0.000) 3.147 29.797 ( 6.827 0.000 0.000) 6.827 29.871 ( -0.940 0.000 0.000) 0.940 30.372 ( 6.378 0.000 0.000) 6.378 30.374 ( 11.365 0.000 0.000) 11.365 30.409 ( 6.682 0.000 0.000) 6.682 30.507 ( 6.984 0.000 0.000) 6.984 30.558 ( -8.063 0.000 0.000) 8.063 30.577 ( 8.402 0.000 0.000) 8.402 30.630 ( -7.860 0.000 0.000) 7.860 30.743 ( -7.712 0.000 0.000) 7.712 30.904 ( -3.376 0.000 0.000) 3.376 31.023 ( -12.283 0.000 0.000) 12.283 31.382 ( 19.827 0.000 0.000) 19.827 31.731 ( -12.879 0.000 0.000) 12.879 32.015 ( 7.442 0.000 0.000) 7.442 32.155 ( -6.366 0.000 0.000) 6.366 32.157 ( 10.747 0.000 0.000) 10.747 32.353 ( -8.536 0.000 0.000) 8.536 32.510 ( 13.016 0.000 0.000) 13.016 32.608 ( -4.294 0.000 0.000) 4.294 32.645 ( -6.033 0.000 0.000) 6.033 32.755 ( -10.942 0.000 0.000) 10.942 35.269 ( 0.979 0.000 0.000) 0.979 35.282 ( -0.334 0.000 0.000) 0.334 35.432 ( 0.061 0.000 0.000) 0.061 35.451 ( -1.767 0.000 0.000) 1.767 35.660 ( 4.727 0.000 0.000) 4.727 35.669 ( 3.242 0.000 0.000) 3.242 35.714 ( -1.149 0.000 0.000) 1.149 35.717 ( -1.119 0.000 0.000) 1.119 35.888 ( 0.044 0.000 0.000) 0.044 35.900 ( -1.127 0.000 0.000) 1.127 36.066 ( 6.149 0.000 0.000) 6.149 36.194 ( -6.313 0.000 0.000) 6.313 36.728 ( 19.602 0.000 0.000) 19.602 37.087 ( 21.240 0.000 0.000) 21.240 37.127 ( -19.263 0.000 0.000) 19.263 37.519 ( -21.141 0.000 0.000) 21.141 ======================= Grid point 7 (5/36) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 0.000 23.820 0.000) 23.820 0.503 ( 0.000 23.641 0.000) 23.641 0.867 ( 0.000 40.393 0.000) 40.393 1.511 ( 0.000 -6.018 0.000) 6.018 1.603 ( 0.000 -2.695 0.000) 2.695 1.735 ( 0.000 4.079 0.000) 4.079 1.738 ( 0.000 3.280 0.000) 3.280 1.976 ( 0.000 -7.381 0.000) 7.381 2.006 ( 0.000 -3.214 0.000) 3.214 2.059 ( 0.000 1.729 0.000) 1.729 2.093 ( 0.000 -1.546 0.000) 1.546 2.094 ( 0.000 6.855 0.000) 6.855 2.210 ( 0.000 -4.065 0.000) 4.065 2.301 ( 0.000 4.688 0.000) 4.688 2.328 ( 0.000 0.268 0.000) 0.268 2.366 ( 0.000 -5.855 0.000) 5.855 2.582 ( 0.000 -4.692 0.000) 4.692 2.662 ( 0.000 3.368 0.000) 3.368 2.665 ( 0.000 -11.594 0.000) 11.594 2.729 ( 0.000 -1.823 0.000) 1.823 2.792 ( 0.000 1.736 0.000) 1.736 2.848 ( 0.000 -8.528 0.000) 8.528 2.866 ( 0.000 -6.065 0.000) 6.065 2.905 ( 0.000 -12.348 0.000) 12.348 2.945 ( 0.000 5.588 0.000) 5.588 3.026 ( 0.000 4.348 0.000) 4.348 3.040 ( 0.000 3.220 0.000) 3.220 3.093 ( 0.000 -10.728 0.000) 10.728 3.205 ( 0.000 -4.871 0.000) 4.871 3.304 ( 0.000 -2.495 0.000) 2.495 3.379 ( 0.000 -4.565 0.000) 4.565 3.426 ( 0.000 -1.503 0.000) 1.503 3.491 ( 0.000 -1.714 0.000) 1.714 3.542 ( 0.000 -0.441 0.000) 0.441 3.676 ( 0.000 8.596 0.000) 8.596 3.698 ( 0.000 2.993 0.000) 2.993 3.773 ( 0.000 2.915 0.000) 2.915 3.829 ( 0.000 0.606 0.000) 0.606 3.850 ( 0.000 1.929 0.000) 1.929 3.921 ( 0.000 -1.084 0.000) 1.084 4.081 ( 0.000 -9.221 0.000) 9.221 4.204 ( 0.000 5.454 0.000) 5.454 4.263 ( 0.000 -10.606 0.000) 10.606 4.397 ( 0.000 1.478 0.000) 1.478 4.400 ( 0.000 3.019 0.000) 3.019 4.450 ( 0.000 6.966 0.000) 6.966 4.491 ( 0.000 7.528 0.000) 7.528 4.526 ( 0.000 -0.531 0.000) 0.531 4.685 ( 0.000 -1.967 0.000) 1.967 4.794 ( 0.000 6.541 0.000) 6.541 4.804 ( 0.000 1.544 0.000) 1.544 4.984 ( 0.000 -6.199 0.000) 6.199 5.016 ( 0.000 5.793 0.000) 5.793 5.097 ( 0.000 1.297 0.000) 1.297 5.164 ( 0.000 4.423 0.000) 4.423 5.284 ( 0.000 -1.391 0.000) 1.391 5.321 ( 0.000 2.052 0.000) 2.052 5.441 ( 0.000 -1.516 0.000) 1.516 5.463 ( 0.000 1.676 0.000) 1.676 5.635 ( 0.000 -0.550 0.000) 0.550 5.833 ( 0.000 1.134 0.000) 1.134 5.924 ( 0.000 -6.892 0.000) 6.892 6.061 ( 0.000 -10.696 0.000) 10.696 6.202 ( 0.000 -2.553 0.000) 2.553 6.206 ( 0.000 2.565 0.000) 2.565 6.292 ( 0.000 3.673 0.000) 3.673 6.308 ( 0.000 1.384 0.000) 1.384 6.327 ( 0.000 5.943 0.000) 5.943 6.478 ( 0.000 -3.401 0.000) 3.401 6.695 ( 0.000 -2.333 0.000) 2.333 6.737 ( 0.000 1.763 0.000) 1.763 6.882 ( 0.000 -1.468 0.000) 1.468 8.110 ( 0.000 1.395 0.000) 1.395 8.148 ( 0.000 0.363 0.000) 0.363 8.172 ( 0.000 1.427 0.000) 1.427 8.187 ( 0.000 1.907 0.000) 1.907 8.269 ( 0.000 0.778 0.000) 0.778 8.298 ( 0.000 -1.334 0.000) 1.334 8.318 ( 0.000 -0.579 0.000) 0.579 8.361 ( 0.000 -2.102 0.000) 2.102 9.156 ( 0.000 0.501 0.000) 0.501 9.194 ( 0.000 0.543 0.000) 0.543 9.256 ( 0.000 -1.045 0.000) 1.045 9.299 ( 0.000 -2.318 0.000) 2.318 9.355 ( 0.000 1.049 0.000) 1.049 9.411 ( 0.000 2.341 0.000) 2.341 9.490 ( 0.000 -1.893 0.000) 1.893 9.672 ( 0.000 -4.407 0.000) 4.407 9.831 ( 0.000 1.081 0.000) 1.081 9.848 ( 0.000 0.126 0.000) 0.126 9.876 ( 0.000 -1.061 0.000) 1.061 9.883 ( 0.000 -0.934 0.000) 0.934 10.033 ( 0.000 2.756 0.000) 2.756 10.086 ( 0.000 0.659 0.000) 0.659 10.253 ( 0.000 1.582 0.000) 1.582 10.429 ( 0.000 -2.368 0.000) 2.368 10.730 ( 0.000 1.573 0.000) 1.573 10.846 ( 0.000 -0.372 0.000) 0.372 10.869 ( 0.000 -0.269 0.000) 0.269 10.924 ( 0.000 -1.345 0.000) 1.345 10.979 ( 0.000 1.639 0.000) 1.639 11.121 ( 0.000 -2.957 0.000) 2.957 11.286 ( 0.000 0.900 0.000) 0.900 11.295 ( 0.000 0.872 0.000) 0.872 11.755 ( 0.000 -0.172 0.000) 0.172 11.799 ( 0.000 -0.636 0.000) 0.636 11.825 ( 0.000 -0.122 0.000) 0.122 11.882 ( 0.000 -0.751 0.000) 0.751 11.992 ( 0.000 1.397 0.000) 1.397 12.177 ( 0.000 0.826 0.000) 0.826 12.259 ( 0.000 -4.113 0.000) 4.113 12.314 ( 0.000 1.589 0.000) 1.589 12.320 ( 0.000 0.969 0.000) 0.969 12.357 ( 0.000 -2.954 0.000) 2.954 12.426 ( 0.000 -0.025 0.000) 0.025 12.458 ( 0.000 -1.534 0.000) 1.534 12.582 ( 0.000 0.493 0.000) 0.493 12.706 ( 0.000 -3.229 0.000) 3.229 12.799 ( 0.000 2.180 0.000) 2.180 12.802 ( 0.000 1.465 0.000) 1.465 12.806 ( 0.000 0.763 0.000) 0.763 12.979 ( 0.000 -1.917 0.000) 1.917 13.473 ( 0.000 0.224 0.000) 0.224 13.522 ( 0.000 -0.981 0.000) 0.981 13.995 ( 0.000 0.410 0.000) 0.410 14.001 ( 0.000 0.173 0.000) 0.173 14.245 ( 0.000 0.136 0.000) 0.136 14.247 ( 0.000 0.438 0.000) 0.438 14.403 ( 0.000 1.237 0.000) 1.237 14.440 ( 0.000 1.339 0.000) 1.339 14.444 ( 0.000 0.056 0.000) 0.056 14.512 ( 0.000 -0.423 0.000) 0.423 14.620 ( 0.000 3.552 0.000) 3.552 14.906 ( 0.000 -2.504 0.000) 2.504 15.047 ( 0.000 2.924 0.000) 2.924 15.236 ( 0.000 -1.331 0.000) 1.331 15.741 ( 0.000 1.411 0.000) 1.411 15.745 ( 0.000 0.646 0.000) 0.646 15.809 ( 0.000 -0.759 0.000) 0.759 15.989 ( 0.000 -4.716 0.000) 4.716 16.249 ( 0.000 2.146 0.000) 2.146 16.312 ( 0.000 -0.250 0.000) 0.250 16.340 ( 0.000 -0.921 0.000) 0.921 16.342 ( 0.000 0.773 0.000) 0.773 16.851 ( 0.000 0.300 0.000) 0.300 16.858 ( 0.000 0.060 0.000) 0.060 16.878 ( 0.000 1.520 0.000) 1.520 16.901 ( 0.000 0.978 0.000) 0.978 17.122 ( 0.000 0.679 0.000) 0.679 17.150 ( 0.000 1.896 0.000) 1.896 17.166 ( 0.000 -0.337 0.000) 0.337 17.280 ( 0.000 -1.313 0.000) 1.313 19.482 ( 0.000 0.581 0.000) 0.581 19.611 ( 0.000 -2.902 0.000) 2.902 19.695 ( 0.000 1.261 0.000) 1.261 19.765 ( 0.000 -0.218 0.000) 0.218 21.176 ( 0.000 1.598 0.000) 1.598 21.206 ( 0.000 1.213 0.000) 1.213 21.340 ( 0.000 -2.107 0.000) 2.107 21.344 ( 0.000 -1.539 0.000) 1.539 21.590 ( 0.000 6.876 0.000) 6.876 21.941 ( 0.000 2.380 0.000) 2.380 22.074 ( 0.000 -4.095 0.000) 4.095 22.167 ( 0.000 -2.540 0.000) 2.540 23.341 ( 0.000 2.149 0.000) 2.149 23.343 ( 0.000 0.665 0.000) 0.665 23.479 ( 0.000 -2.140 0.000) 2.140 23.501 ( 0.000 -1.474 0.000) 1.474 26.346 ( 0.000 0.124 0.000) 0.124 26.348 ( 0.000 0.031 0.000) 0.031 26.348 ( 0.000 0.027 0.000) 0.027 26.358 ( 0.000 -0.158 0.000) 0.158 28.598 ( 0.000 2.546 0.000) 2.546 28.847 ( 0.000 -3.000 0.000) 3.000 28.866 ( 0.000 0.932 0.000) 0.932 28.955 ( 0.000 -1.013 0.000) 1.013 29.036 ( 0.000 1.365 0.000) 1.365 29.102 ( 0.000 8.318 0.000) 8.318 29.197 ( 0.000 -2.151 0.000) 2.151 29.409 ( 0.000 0.067 0.000) 0.067 29.890 ( 0.000 3.947 0.000) 3.947 30.077 ( 0.000 0.514 0.000) 0.514 30.135 ( 0.000 0.165 0.000) 0.165 30.170 ( 0.000 -0.939 0.000) 0.939 30.228 ( 0.000 0.429 0.000) 0.429 30.232 ( 0.000 3.940 0.000) 3.940 30.423 ( 0.000 -6.088 0.000) 6.088 30.827 ( 0.000 -3.909 0.000) 3.909 31.290 ( 0.000 4.590 0.000) 4.590 31.356 ( 0.000 4.697 0.000) 4.697 31.441 ( 0.000 2.454 0.000) 2.454 31.491 ( 0.000 -0.415 0.000) 0.415 31.579 ( 0.000 0.512 0.000) 0.512 31.689 ( 0.000 -1.104 0.000) 1.104 31.786 ( 0.000 -5.812 0.000) 5.812 32.476 ( 0.000 8.524 0.000) 8.524 32.651 ( 0.000 1.723 0.000) 1.723 32.925 ( 0.000 -6.115 0.000) 6.115 32.934 ( 0.000 -38.544 0.000) 38.544 33.085 ( 0.000 -11.426 0.000) 11.426 35.143 ( 0.000 1.750 0.000) 1.750 35.304 ( 0.000 -1.858 0.000) 1.858 35.339 ( 0.000 4.318 0.000) 4.318 35.345 ( 0.000 1.761 0.000) 1.761 35.496 ( 0.000 -1.329 0.000) 1.329 35.668 ( 0.000 8.886 0.000) 8.886 35.748 ( 0.000 -5.039 0.000) 5.039 35.794 ( 0.000 1.756 0.000) 1.756 35.843 ( 0.000 -0.255 0.000) 0.255 36.000 ( 0.000 3.132 0.000) 3.132 36.028 ( 0.000 31.966 0.000) 31.966 36.067 ( 0.000 -2.193 0.000) 2.193 36.415 ( 0.000 -4.249 0.000) 4.249 37.495 ( 0.000 -10.257 0.000) 10.257 38.254 ( 0.000 0.648 0.000) 0.648 38.340 ( 0.000 -1.215 0.000) 1.215 ======================= Grid point 8 (6/36) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 16.153 15.237 0.000) 22.205 0.832 ( 14.412 20.658 0.000) 25.189 1.261 ( 38.117 19.508 0.000) 42.819 1.560 ( 0.219 -2.206 0.000) 2.217 1.699 ( 12.476 -1.718 0.000) 12.594 1.797 ( 7.849 1.380 0.000) 7.969 1.840 ( -6.307 -8.533 0.000) 10.611 1.916 ( 6.221 -2.310 0.000) 6.637 2.044 ( 8.697 -0.585 0.000) 8.716 2.093 ( 3.932 -2.604 0.000) 4.716 2.123 ( 3.605 3.698 0.000) 5.164 2.160 ( -3.856 4.105 0.000) 5.632 2.204 ( -1.375 -0.766 0.000) 1.574 2.272 ( 7.448 4.447 0.000) 8.674 2.394 ( 3.322 -6.309 0.000) 7.130 2.470 ( 4.976 -2.619 0.000) 5.623 2.514 ( -0.296 0.379 0.000) 0.481 2.657 ( -6.733 -1.997 0.000) 7.023 2.660 ( 4.467 2.782 0.000) 5.263 2.743 ( -0.545 -10.712 0.000) 10.726 2.826 ( 0.854 -4.785 0.000) 4.861 2.890 ( -1.417 -3.688 0.000) 3.951 2.900 ( 7.043 0.388 0.000) 7.054 2.925 ( 10.272 -7.508 0.000) 12.723 2.965 ( 2.616 5.737 0.000) 6.305 3.124 ( 9.487 -0.632 0.000) 9.508 3.133 ( -4.921 -6.061 0.000) 7.807 3.231 ( 9.096 -8.603 0.000) 12.520 3.294 ( 0.836 1.170 0.000) 1.438 3.316 ( 12.223 -9.429 0.000) 15.437 3.382 ( 5.708 -0.208 0.000) 5.712 3.398 ( -2.442 -1.624 0.000) 2.933 3.426 ( -4.308 0.606 0.000) 4.350 3.590 ( 1.363 -3.123 0.000) 3.408 3.713 ( -0.024 0.913 0.000) 0.914 3.714 ( 3.268 5.474 0.000) 6.375 3.743 ( -3.423 2.189 0.000) 4.063 3.792 ( -1.867 1.530 0.000) 2.414 3.881 ( 1.128 -2.208 0.000) 2.479 3.905 ( -3.500 -1.610 0.000) 3.853 4.087 ( 0.866 -7.149 0.000) 7.201 4.141 ( -5.210 5.464 0.000) 7.550 4.221 ( -3.339 -9.717 0.000) 10.275 4.366 ( -2.285 3.498 0.000) 4.178 4.408 ( -0.828 1.708 0.000) 1.898 4.435 ( -4.158 5.385 0.000) 6.803 4.457 ( 0.065 5.589 0.000) 5.589 4.544 ( 2.148 -0.729 0.000) 2.268 4.667 ( -1.218 -3.361 0.000) 3.575 4.726 ( -4.328 7.788 0.000) 8.910 4.859 ( 0.977 4.101 0.000) 4.215 4.929 ( -6.769 -5.176 0.000) 8.521 5.002 ( -5.604 0.951 0.000) 5.684 5.069 ( 2.513 0.810 0.000) 2.640 5.070 ( -6.589 2.263 0.000) 6.967 5.259 ( -12.585 11.137 0.000) 16.805 5.319 ( 0.645 4.011 0.000) 4.062 5.414 ( -2.322 1.289 0.000) 2.656 5.416 ( 10.904 -0.290 0.000) 10.908 5.667 ( 2.756 -1.118 0.000) 2.974 5.769 ( -4.855 -6.200 0.000) 7.875 5.909 ( 3.890 3.781 0.000) 5.425 5.989 ( -7.582 -5.173 0.000) 9.178 6.116 ( -4.437 2.093 0.000) 4.906 6.184 ( -2.025 -0.409 0.000) 2.066 6.253 ( -1.301 9.904 0.000) 9.990 6.256 ( -2.846 -1.569 0.000) 3.249 6.315 ( -0.037 1.091 0.000) 1.092 6.514 ( 1.982 -5.247 0.000) 5.608 6.698 ( 0.486 -1.661 0.000) 1.731 6.735 ( 0.853 3.099 0.000) 3.214 6.928 ( 2.621 -1.692 0.000) 3.120 8.110 ( 0.309 1.167 0.000) 1.207 8.116 ( -1.521 2.859 0.000) 3.238 8.173 ( 2.316 1.086 0.000) 2.558 8.235 ( 4.112 1.361 0.000) 4.332 8.279 ( 0.841 -0.285 0.000) 0.888 8.309 ( 0.508 -1.912 0.000) 1.978 8.328 ( 0.861 -0.343 0.000) 0.927 8.374 ( 1.482 -1.445 0.000) 2.070 9.093 ( -5.348 1.356 0.000) 5.518 9.134 ( -4.544 -0.855 0.000) 4.624 9.178 ( -6.828 -1.663 0.000) 7.028 9.272 ( -3.257 -2.644 0.000) 4.195 9.303 ( -5.540 1.780 0.000) 5.819 9.345 ( -6.389 2.237 0.000) 6.770 9.421 ( -3.597 -0.629 0.000) 3.652 9.595 ( -7.813 -3.669 0.000) 8.631 9.841 ( 2.314 0.447 0.000) 2.357 9.857 ( -0.399 0.324 0.000) 0.514 9.901 ( 4.269 -0.854 0.000) 4.353 9.923 ( 2.397 -0.952 0.000) 2.579 10.066 ( 1.486 1.395 0.000) 2.038 10.152 ( 5.100 -0.582 0.000) 5.133 10.221 ( -2.410 2.281 0.000) 3.319 10.409 ( -1.504 -2.213 0.000) 2.676 10.720 ( -0.862 0.752 0.000) 1.144 10.794 ( -7.009 1.760 0.000) 7.227 10.854 ( 0.237 -1.378 0.000) 1.398 10.869 ( -3.338 -0.236 0.000) 3.346 10.913 ( -6.122 2.423 0.000) 6.584 11.056 ( -5.680 -1.650 0.000) 5.914 11.176 ( -7.626 1.345 0.000) 7.744 11.253 ( -6.899 -0.521 0.000) 6.919 11.774 ( 2.700 0.561 0.000) 2.758 11.860 ( 2.038 0.731 0.000) 2.165 11.888 ( 1.925 -0.566 0.000) 2.006 11.962 ( 8.746 -5.080 0.000) 10.114 11.964 ( -1.996 0.683 0.000) 2.110 12.119 ( -2.635 1.588 0.000) 3.076 12.179 ( -4.392 -2.882 0.000) 5.253 12.291 ( -2.330 0.030 0.000) 2.331 12.323 ( -3.942 1.279 0.000) 4.144 12.355 ( 1.480 -0.000 0.000) 1.480 12.392 ( 0.223 -1.878 0.000) 1.891 12.446 ( -1.493 -0.885 0.000) 1.735 12.597 ( 0.082 1.179 0.000) 1.182 12.714 ( -0.518 -2.593 0.000) 2.644 12.778 ( -2.021 2.049 0.000) 2.878 12.863 ( 7.193 1.164 0.000) 7.287 12.897 ( 8.205 0.019 0.000) 8.205 12.948 ( -3.075 -1.823 0.000) 3.575 13.537 ( 6.038 -0.070 0.000) 6.039 13.565 ( 4.282 -0.699 0.000) 4.339 13.934 ( -5.334 1.058 0.000) 5.438 13.982 ( -3.155 -0.275 0.000) 3.167 14.202 ( 0.595 1.681 0.000) 1.783 14.260 ( 0.959 0.189 0.000) 0.977 14.573 ( 10.445 0.785 0.000) 10.475 14.577 ( 14.981 2.855 0.000) 15.250 14.641 ( 9.956 -0.462 0.000) 9.967 14.694 ( 8.782 2.715 0.000) 9.192 14.947 ( 3.879 -2.233 0.000) 4.476 15.035 ( -1.214 3.374 0.000) 3.586 15.265 ( 3.246 -3.444 0.000) 4.733 15.330 ( 23.840 -25.127 0.000) 34.637 15.765 ( 2.847 0.895 0.000) 2.984 15.786 ( 4.218 0.818 0.000) 4.297 15.876 ( 6.464 -1.173 0.000) 6.569 15.934 ( -3.933 -3.284 0.000) 5.124 16.300 ( -1.062 -0.087 0.000) 1.066 16.332 ( -0.664 0.356 0.000) 0.754 16.338 ( -0.710 -0.988 0.000) 1.217 16.481 ( 18.056 -18.619 0.000) 25.937 16.892 ( 3.705 0.272 0.000) 3.715 16.900 ( 1.974 1.230 0.000) 2.326 16.926 ( 2.290 0.768 0.000) 2.416 16.933 ( 6.274 -0.662 0.000) 6.309 17.108 ( -1.417 0.920 0.000) 1.689 17.139 ( -0.812 2.213 0.000) 2.358 17.163 ( -0.425 -0.183 0.000) 0.462 17.274 ( -0.375 -1.169 0.000) 1.227 19.527 ( 4.488 0.681 0.000) 4.539 19.676 ( 6.416 -3.285 0.000) 7.208 19.705 ( 0.943 0.424 0.000) 1.034 19.767 ( 3.681 -3.095 0.000) 4.809 20.927 ( -18.925 3.525 0.000) 19.250 20.945 ( -17.804 2.778 0.000) 18.019 21.153 ( -15.358 -2.481 0.000) 15.557 21.171 ( -14.360 -2.727 0.000) 14.616 21.844 ( 17.940 5.683 0.000) 18.819 22.001 ( 10.099 11.840 0.000) 15.562 22.253 ( 14.311 -3.583 0.000) 14.753 22.340 ( 13.844 -2.305 0.000) 14.034 23.260 ( -7.417 1.578 0.000) 7.583 23.285 ( -5.367 2.230 0.000) 5.812 23.436 ( -4.103 -2.278 0.000) 4.693 23.467 ( -3.924 -2.067 0.000) 4.435 26.437 ( 9.119 0.354 0.000) 9.126 26.467 ( 11.418 1.299 0.000) 11.492 26.480 ( 11.597 -0.653 0.000) 11.616 27.048 ( 34.838 -32.363 0.000) 47.550 28.363 ( -18.361 2.138 0.000) 18.485 28.408 ( -24.450 5.385 0.000) 25.036 28.555 ( -16.563 -2.047 0.000) 16.689 28.749 ( -18.554 -3.111 0.000) 18.813 29.280 ( 13.872 1.275 0.000) 13.930 29.469 ( 6.106 4.049 0.000) 7.326 29.489 ( 21.500 -3.244 0.000) 21.744 29.504 ( 16.666 11.251 0.000) 20.108 29.903 ( 1.468 5.029 0.000) 5.239 30.118 ( 4.299 0.075 0.000) 4.299 30.201 ( 3.306 0.279 0.000) 3.317 30.220 ( 5.232 -0.655 0.000) 5.273 30.275 ( 4.562 -0.567 0.000) 4.597 30.528 ( 18.302 -23.947 0.000) 30.140 30.548 ( 11.045 -7.640 0.000) 13.430 30.848 ( 2.458 -5.808 0.000) 6.306 31.111 ( -12.536 2.987 0.000) 12.887 31.131 ( -11.251 3.686 0.000) 11.839 31.300 ( -12.852 -1.153 0.000) 12.903 31.697 ( 9.749 2.770 0.000) 10.135 31.707 ( 13.625 3.848 0.000) 14.158 31.783 ( -0.107 -8.944 0.000) 8.945 31.916 ( 14.053 -1.970 0.000) 14.190 32.447 ( -2.777 8.426 0.000) 8.871 32.619 ( -3.150 1.861 0.000) 3.659 32.826 ( -9.585 -33.947 0.000) 35.274 32.878 ( -4.406 -5.193 0.000) 6.810 33.035 ( -4.599 -7.265 0.000) 8.598 35.172 ( 2.392 0.946 0.000) 2.572 35.333 ( -0.566 4.009 0.000) 4.049 35.348 ( 4.373 -1.698 0.000) 4.691 35.397 ( 4.085 -1.538 0.000) 4.364 35.563 ( 5.919 -1.821 0.000) 6.193 35.599 ( -3.756 7.051 0.000) 7.989 35.743 ( -1.148 -1.324 0.000) 1.752 35.782 ( -0.420 3.390 0.000) 3.416 35.941 ( 3.358 1.000 0.000) 3.504 36.003 ( -2.154 29.091 0.000) 29.171 36.006 ( 7.830 -0.498 0.000) 7.846 36.247 ( 11.973 -4.587 0.000) 12.821 36.395 ( -0.656 -3.128 0.000) 3.196 37.123 ( -34.445 28.069 0.000) 44.433 37.734 ( -21.460 4.128 0.000) 21.853 38.204 ( -12.758 -2.979 0.000) 13.101 ======================= Grid point 9 (7/36) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 18.489 7.552 0.000) 19.972 1.150 ( 17.826 11.111 0.000) 21.006 1.653 ( 7.229 -3.850 0.000) 8.190 1.785 ( 4.388 -5.041 0.000) 6.684 1.818 ( 3.876 0.124 0.000) 3.878 1.923 ( -2.190 -2.589 0.000) 3.391 1.996 ( 11.997 3.295 0.000) 12.442 2.077 ( 18.489 5.178 0.000) 19.201 2.077 ( -0.369 3.520 0.000) 3.539 2.126 ( 5.691 -3.215 0.000) 6.537 2.188 ( 1.903 -5.743 0.000) 6.050 2.240 ( 4.415 3.434 0.000) 5.593 2.253 ( 9.521 4.130 0.000) 10.378 2.327 ( -6.091 -8.508 0.000) 10.464 2.455 ( -6.911 2.046 0.000) 7.208 2.525 ( 1.658 -2.742 0.000) 3.204 2.546 ( 5.331 -2.984 0.000) 6.109 2.650 ( -4.556 -5.526 0.000) 7.162 2.714 ( 17.387 0.985 0.000) 17.415 2.790 ( 6.607 4.628 0.000) 8.067 2.903 ( 5.097 1.156 0.000) 5.227 2.995 ( 1.022 -2.662 0.000) 2.852 2.996 ( 10.656 -5.971 0.000) 12.215 3.027 ( 1.989 6.438 0.000) 6.739 3.154 ( 10.433 -8.306 0.000) 13.336 3.194 ( 8.692 1.487 0.000) 8.818 3.271 ( 1.615 -2.496 0.000) 2.973 3.282 ( -3.043 0.591 0.000) 3.100 3.327 ( 5.738 -4.266 0.000) 7.150 3.332 ( -1.304 -3.401 0.000) 3.643 3.404 ( 2.871 0.087 0.000) 2.872 3.528 ( 11.832 -3.878 0.000) 12.451 3.554 ( -4.785 -1.229 0.000) 4.940 3.619 ( 9.057 -0.474 0.000) 9.070 3.641 ( -2.932 3.576 0.000) 4.624 3.711 ( -0.069 -1.163 0.000) 1.165 3.745 ( -2.708 1.714 0.000) 3.205 3.765 ( 0.673 -3.339 0.000) 3.406 3.794 ( -7.018 -2.174 0.000) 7.347 3.890 ( 0.989 -0.141 0.000) 0.999 4.049 ( -2.219 5.141 0.000) 5.600 4.095 ( 0.639 -4.776 0.000) 4.818 4.177 ( -0.891 -4.892 0.000) 4.973 4.311 ( -3.071 3.957 0.000) 5.009 4.361 ( -2.299 2.684 0.000) 3.534 4.373 ( -1.757 -0.005 0.000) 1.757 4.452 ( -1.508 2.800 0.000) 3.180 4.587 ( -7.190 3.238 0.000) 7.885 4.595 ( 2.586 -1.103 0.000) 2.811 4.654 ( -2.294 -0.225 0.000) 2.305 4.729 ( -10.350 -2.692 0.000) 10.694 4.834 ( -6.179 1.729 0.000) 6.416 4.873 ( -1.696 4.757 0.000) 5.050 4.964 ( -3.926 -0.903 0.000) 4.028 5.070 ( -6.929 5.118 0.000) 8.614 5.108 ( -0.609 -3.401 0.000) 3.455 5.327 ( -0.987 5.590 0.000) 5.676 5.407 ( 0.913 1.539 0.000) 1.789 5.555 ( -13.638 -2.003 0.000) 13.784 5.627 ( 6.006 -0.690 0.000) 6.046 5.684 ( -5.158 -3.472 0.000) 6.217 5.888 ( 5.182 1.129 0.000) 5.304 6.011 ( 0.402 -0.079 0.000) 0.410 6.081 ( -0.291 1.875 0.000) 1.897 6.092 ( -3.876 1.413 0.000) 4.126 6.272 ( -0.135 1.695 0.000) 1.701 6.308 ( 6.345 -5.969 0.000) 8.711 6.313 ( 6.087 7.888 0.000) 9.963 6.558 ( 1.806 -5.396 0.000) 5.690 6.724 ( 2.219 -0.049 0.000) 2.219 6.756 ( 0.247 3.579 0.000) 3.587 6.942 ( -1.613 -0.769 0.000) 1.787 8.126 ( 2.234 1.663 0.000) 2.785 8.135 ( 2.307 0.872 0.000) 2.466 8.239 ( 3.949 1.864 0.000) 4.367 8.288 ( -0.240 -2.134 0.000) 2.147 8.289 ( -0.234 0.013 0.000) 0.234 8.331 ( 2.551 -1.830 0.000) 3.140 8.356 ( 1.993 0.227 0.000) 2.006 8.421 ( 2.409 -0.767 0.000) 2.528 8.973 ( -5.811 1.775 0.000) 6.076 9.000 ( -7.301 -0.024 0.000) 7.301 9.061 ( -4.590 -2.503 0.000) 5.228 9.139 ( -9.810 0.810 0.000) 9.844 9.159 ( -7.497 1.581 0.000) 7.662 9.203 ( -5.700 -1.569 0.000) 5.912 9.312 ( -7.147 -2.161 0.000) 7.467 9.385 ( -11.609 -2.876 0.000) 11.960 9.879 ( 2.727 1.295 0.000) 3.019 9.913 ( 4.051 -0.361 0.000) 4.067 9.977 ( 3.024 -0.977 0.000) 3.178 10.003 ( 4.935 -2.480 0.000) 5.523 10.105 ( 2.195 1.807 0.000) 2.843 10.187 ( -0.546 3.616 0.000) 3.657 10.258 ( 4.973 -1.925 0.000) 5.332 10.386 ( -0.669 -1.882 0.000) 1.997 10.648 ( -6.222 3.073 0.000) 6.940 10.682 ( -4.288 0.092 0.000) 4.289 10.766 ( -5.348 3.423 0.000) 6.350 10.788 ( -4.419 -0.530 0.000) 4.451 10.841 ( -2.648 -3.239 0.000) 4.183 10.932 ( -5.212 0.092 0.000) 5.212 11.016 ( -7.411 0.534 0.000) 7.430 11.058 ( -10.862 -0.521 0.000) 10.875 11.831 ( 1.843 1.117 0.000) 2.155 11.867 ( 0.210 2.097 0.000) 2.108 11.926 ( -1.421 1.199 0.000) 1.859 11.997 ( 6.730 -1.487 0.000) 6.893 12.036 ( 1.787 -2.977 0.000) 3.472 12.153 ( 2.345 -2.792 0.000) 3.646 12.185 ( -5.922 1.938 0.000) 6.231 12.219 ( 8.778 -0.411 0.000) 8.788 12.277 ( -0.895 0.760 0.000) 1.175 12.377 ( 0.594 -0.332 0.000) 0.681 12.395 ( -2.875 0.331 0.000) 2.894 12.428 ( 2.248 -3.498 0.000) 4.158 12.567 ( -2.016 1.954 0.000) 2.807 12.676 ( -3.384 -1.675 0.000) 3.776 12.720 ( -3.699 1.491 0.000) 3.988 12.855 ( -5.929 -1.506 0.000) 6.117 13.054 ( 11.043 1.171 0.000) 11.105 13.114 ( 12.369 -0.253 0.000) 12.372 13.687 ( 7.911 -0.275 0.000) 7.915 13.701 ( 7.888 -0.578 0.000) 7.909 13.786 ( -7.795 1.789 0.000) 7.998 13.862 ( -8.424 -0.358 0.000) 8.432 14.182 ( -3.296 1.385 0.000) 3.575 14.255 ( -2.597 -0.303 0.000) 2.614 14.789 ( 9.630 1.204 0.000) 9.705 14.814 ( 8.405 2.398 0.000) 8.741 14.869 ( 11.065 4.099 0.000) 11.800 14.946 ( 11.934 -1.808 0.000) 12.070 15.006 ( -0.942 4.066 0.000) 4.174 15.051 ( 6.057 -1.780 0.000) 6.313 15.295 ( -0.501 -3.190 0.000) 3.229 15.451 ( -3.373 -6.944 0.000) 7.720 15.862 ( 6.634 0.524 0.000) 6.654 15.903 ( 2.115 -0.773 0.000) 2.252 15.916 ( 8.252 1.106 0.000) 8.326 16.057 ( 10.881 -2.111 0.000) 11.084 16.261 ( -3.218 0.057 0.000) 3.218 16.295 ( -3.611 -0.619 0.000) 3.663 16.316 ( -1.279 0.482 0.000) 1.367 16.668 ( -0.336 -14.555 0.000) 14.559 16.943 ( 1.900 0.113 0.000) 1.904 16.965 ( 2.109 -0.579 0.000) 2.187 16.981 ( 2.808 -0.124 0.000) 2.811 17.052 ( 3.323 -2.523 0.000) 4.172 17.089 ( 0.919 2.619 0.000) 2.775 17.129 ( -0.025 3.194 0.000) 3.194 17.160 ( 1.266 1.294 0.000) 1.810 17.271 ( 0.047 -0.604 0.000) 0.605 19.662 ( 8.764 0.985 0.000) 8.819 19.758 ( 5.150 0.207 0.000) 5.154 19.862 ( 11.452 -4.249 0.000) 12.215 19.936 ( 11.389 -8.625 0.000) 14.286 20.549 ( -17.411 4.292 0.000) 17.932 20.580 ( -17.581 3.185 0.000) 17.868 20.812 ( -17.152 -2.770 0.000) 17.375 20.856 ( -15.791 -3.685 0.000) 16.215 22.217 ( 18.283 4.856 0.000) 18.916 22.280 ( 15.475 8.737 0.000) 17.771 22.566 ( 15.684 -3.058 0.000) 15.979 22.638 ( 14.666 -2.328 0.000) 14.850 23.076 ( -10.107 3.137 0.000) 10.583 23.128 ( -9.918 2.686 0.000) 10.276 23.320 ( -7.228 -2.485 0.000) 7.643 23.342 ( -8.277 -2.125 0.000) 8.546 26.700 ( 16.389 0.595 0.000) 16.400 26.771 ( 17.593 3.180 0.000) 17.878 26.782 ( 17.515 -1.298 0.000) 17.563 27.502 ( 14.189 -20.471 0.000) 24.907 27.937 ( -22.289 3.806 0.000) 22.611 27.963 ( -20.217 2.779 0.000) 20.407 28.242 ( -14.330 -3.520 0.000) 14.756 28.272 ( -26.979 -3.657 0.000) 27.226 29.536 ( 10.631 2.846 0.000) 11.005 29.590 ( 6.085 5.091 0.000) 7.934 29.787 ( 11.104 15.104 0.000) 18.747 29.897 ( 11.899 -1.920 0.000) 12.052 29.983 ( 11.822 3.795 0.000) 12.416 30.234 ( 6.605 -0.331 0.000) 6.614 30.299 ( 5.933 1.379 0.000) 6.091 30.351 ( 7.442 0.151 0.000) 7.443 30.401 ( 7.546 -1.077 0.000) 7.622 30.661 ( -2.526 -10.385 0.000) 10.688 30.767 ( 2.402 -7.651 0.000) 8.019 30.890 ( -9.062 -0.064 0.000) 9.062 30.909 ( 0.509 -16.107 0.000) 16.115 30.958 ( 1.801 -0.552 0.000) 1.884 31.050 ( -11.253 -1.736 0.000) 11.386 31.719 ( -5.525 -14.240 0.000) 15.274 31.896 ( 9.483 3.916 0.000) 10.260 31.978 ( 11.550 3.475 0.000) 12.061 32.196 ( 13.100 -3.294 0.000) 13.507 32.369 ( -4.889 8.076 0.000) 9.441 32.530 ( -5.257 2.520 0.000) 5.830 32.622 ( -8.387 -18.026 0.000) 19.881 32.761 ( -6.702 -3.164 0.000) 7.411 32.908 ( -7.851 -4.876 0.000) 9.242 35.224 ( 2.557 0.942 0.000) 2.724 35.318 ( -0.877 3.377 0.000) 3.489 35.444 ( 4.011 -1.714 0.000) 4.362 35.499 ( 5.984 -2.469 0.000) 6.473 35.545 ( -1.699 7.911 0.000) 8.091 35.690 ( 5.688 0.640 0.000) 5.724 35.723 ( -0.795 -1.541 0.000) 1.734 35.787 ( 0.483 5.149 0.000) 5.171 35.965 ( -0.817 19.338 0.000) 19.355 35.972 ( 1.688 5.737 0.000) 5.980 36.226 ( 4.326 -5.285 0.000) 6.830 36.332 ( 7.390 -4.275 0.000) 8.537 36.542 ( -20.271 33.372 0.000) 39.047 36.612 ( 17.896 -5.319 0.000) 18.670 37.388 ( -16.680 -8.463 0.000) 18.705 37.862 ( -19.917 -6.266 0.000) 20.880 ======================= Grid point 10 (8/36) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 14.279 3.623 0.000) 14.732 1.524 ( 12.994 0.574 0.000) 13.006 1.628 ( -0.920 3.314 0.000) 3.439 1.856 ( 2.195 -1.181 0.000) 2.492 1.880 ( -1.868 -1.081 0.000) 2.159 1.969 ( -16.529 0.560 0.000) 16.538 1.993 ( 6.848 -6.456 0.000) 9.411 2.085 ( -4.570 -2.730 0.000) 5.323 2.127 ( 5.584 -4.276 0.000) 7.034 2.209 ( -2.585 -9.801 0.000) 10.137 2.245 ( 9.376 -2.764 0.000) 9.775 2.307 ( 2.389 6.783 0.000) 7.192 2.328 ( 4.056 6.830 0.000) 7.944 2.373 ( -3.091 -4.613 0.000) 5.553 2.480 ( 7.065 -0.981 0.000) 7.132 2.580 ( 1.294 1.818 0.000) 2.232 2.607 ( 8.266 -0.200 0.000) 8.269 2.726 ( 4.842 2.635 0.000) 5.513 2.837 ( -11.528 -3.253 0.000) 11.978 2.913 ( -11.839 3.850 0.000) 12.449 2.978 ( 5.763 -1.183 0.000) 5.883 3.032 ( 8.145 2.148 0.000) 8.424 3.058 ( 13.854 4.052 0.000) 14.435 3.138 ( 5.146 -5.160 0.000) 7.287 3.206 ( -1.679 0.523 0.000) 1.759 3.259 ( 0.605 -0.820 0.000) 1.019 3.285 ( -2.681 -0.788 0.000) 2.794 3.379 ( -8.323 -0.563 0.000) 8.342 3.388 ( 6.246 -7.806 0.000) 9.997 3.405 ( 6.364 -5.951 0.000) 8.713 3.441 ( -3.690 -0.162 0.000) 3.694 3.492 ( 11.445 0.623 0.000) 11.462 3.600 ( -7.713 -3.558 0.000) 8.494 3.673 ( -1.296 -1.546 0.000) 2.018 3.702 ( 1.338 -0.440 0.000) 1.408 3.716 ( -2.812 -5.184 0.000) 5.897 3.722 ( 3.384 2.900 0.000) 4.456 3.743 ( 3.617 6.705 0.000) 7.618 3.841 ( 9.975 -0.306 0.000) 9.979 3.929 ( 1.104 1.673 0.000) 2.005 4.070 ( 2.924 1.160 0.000) 3.146 4.106 ( -0.717 -0.252 0.000) 0.760 4.162 ( 0.007 1.684 0.000) 1.684 4.229 ( -5.544 3.622 0.000) 6.622 4.340 ( -1.300 -2.214 0.000) 2.567 4.347 ( -0.088 0.416 0.000) 0.426 4.398 ( -1.289 3.501 0.000) 3.731 4.458 ( -4.812 2.471 0.000) 5.410 4.593 ( -2.422 -3.879 0.000) 4.573 4.597 ( -2.502 -1.511 0.000) 2.922 4.648 ( 2.601 -1.545 0.000) 3.025 4.711 ( -4.193 -1.545 0.000) 4.469 4.891 ( 1.907 4.269 0.000) 4.675 4.927 ( -0.666 0.787 0.000) 1.031 4.971 ( -0.895 0.059 0.000) 0.897 5.048 ( -4.917 -1.409 0.000) 5.115 5.270 ( -2.562 1.237 0.000) 2.845 5.317 ( -7.856 0.518 0.000) 7.873 5.423 ( 0.633 -0.549 0.000) 0.837 5.486 ( -6.906 -3.426 0.000) 7.710 5.780 ( 6.700 2.680 0.000) 7.216 5.917 ( -6.606 2.130 0.000) 6.941 6.008 ( 2.620 -1.328 0.000) 2.937 6.061 ( -2.456 0.276 0.000) 2.472 6.121 ( 6.295 4.282 0.000) 7.613 6.224 ( -3.474 2.890 0.000) 4.519 6.463 ( 7.414 -6.432 0.000) 9.815 6.530 ( 8.487 -0.119 0.000) 8.488 6.572 ( 1.304 -1.699 0.000) 2.142 6.716 ( -4.914 3.288 0.000) 5.912 6.785 ( 3.640 1.400 0.000) 3.900 6.871 ( -4.651 1.129 0.000) 4.786 8.191 ( 3.608 0.576 0.000) 3.654 8.197 ( 3.354 0.342 0.000) 3.371 8.258 ( -2.117 -0.273 0.000) 2.135 8.261 ( -2.243 -0.239 0.000) 2.256 8.327 ( 3.565 0.260 0.000) 3.575 8.363 ( 0.183 -0.525 0.000) 0.556 8.402 ( 2.310 -0.511 0.000) 2.366 8.439 ( -0.852 -1.029 0.000) 1.336 8.891 ( -1.272 1.453 0.000) 1.931 8.906 ( -1.294 1.078 0.000) 1.684 8.945 ( -5.959 0.713 0.000) 6.001 8.959 ( -6.414 1.545 0.000) 6.598 9.084 ( 0.817 -1.894 0.000) 2.063 9.127 ( -1.344 -2.901 0.000) 3.197 9.173 ( -5.297 -2.760 0.000) 5.973 9.177 ( -7.750 -2.516 0.000) 8.148 9.952 ( 3.495 0.683 0.000) 3.561 9.976 ( 1.440 -0.281 0.000) 1.467 10.039 ( 2.704 -1.266 0.000) 2.986 10.064 ( 0.750 -2.354 0.000) 2.471 10.145 ( 1.785 2.661 0.000) 3.204 10.181 ( -1.121 3.680 0.000) 3.847 10.339 ( 2.909 -2.428 0.000) 3.789 10.375 ( -0.751 -1.885 0.000) 2.030 10.567 ( -1.844 2.760 0.000) 3.319 10.572 ( -3.239 2.282 0.000) 3.963 10.712 ( -2.085 -0.772 0.000) 2.224 10.742 ( -4.047 -1.547 0.000) 4.333 10.748 ( 1.408 1.254 0.000) 1.886 10.853 ( -8.071 0.424 0.000) 8.082 10.885 ( -0.328 -1.410 0.000) 1.448 10.909 ( -3.185 -0.806 0.000) 3.285 11.853 ( 0.951 1.427 0.000) 1.715 11.874 ( -0.673 1.108 0.000) 1.296 11.928 ( 3.124 2.910 0.000) 4.269 12.029 ( -5.528 0.804 0.000) 5.586 12.118 ( 3.781 -2.873 0.000) 4.749 12.119 ( 2.286 -1.493 0.000) 2.730 12.242 ( 4.423 -2.665 0.000) 5.164 12.258 ( -0.381 0.813 0.000) 0.898 12.318 ( -1.812 2.272 0.000) 2.906 12.386 ( -1.900 -2.049 0.000) 2.794 12.430 ( 5.311 -0.847 0.000) 5.378 12.433 ( 4.007 -1.423 0.000) 4.252 12.577 ( -4.019 -0.110 0.000) 4.020 12.602 ( 3.994 0.069 0.000) 3.995 12.621 ( -6.205 1.119 0.000) 6.305 12.722 ( -6.678 -0.968 0.000) 6.748 13.296 ( 12.477 1.468 0.000) 12.563 13.378 ( 13.314 -0.498 0.000) 13.323 13.549 ( -12.122 1.443 0.000) 12.208 13.640 ( -12.089 -0.755 0.000) 12.112 13.879 ( 9.599 0.803 0.000) 9.632 13.928 ( 10.900 -0.173 0.000) 10.901 14.064 ( -8.003 1.175 0.000) 8.089 14.135 ( -8.796 -0.359 0.000) 8.803 14.931 ( 4.240 1.768 0.000) 4.594 14.964 ( 5.533 2.846 0.000) 6.222 14.969 ( 0.205 2.375 0.000) 2.384 15.018 ( 0.473 4.166 0.000) 4.193 15.137 ( 7.080 -2.282 0.000) 7.439 15.184 ( 7.086 -1.888 0.000) 7.334 15.245 ( -3.953 -2.971 0.000) 4.945 15.333 ( -7.157 -2.674 0.000) 7.640 16.005 ( 7.425 0.350 0.000) 7.433 16.024 ( 8.148 -0.138 0.000) 8.149 16.096 ( 8.090 0.837 0.000) 8.133 16.159 ( -6.402 0.376 0.000) 6.413 16.181 ( -5.431 -0.512 0.000) 5.455 16.255 ( -5.274 1.192 0.000) 5.408 16.309 ( 11.647 -2.695 0.000) 11.955 16.542 ( -10.188 -6.266 0.000) 11.961 16.971 ( 0.880 -1.057 0.000) 1.376 16.979 ( 0.011 -1.395 0.000) 1.395 17.030 ( 1.960 -1.534 0.000) 2.489 17.060 ( -0.936 -2.119 0.000) 2.317 17.124 ( 1.287 3.531 0.000) 3.758 17.134 ( 0.169 4.107 0.000) 4.110 17.223 ( 3.353 1.046 0.000) 3.513 17.266 ( -0.928 0.215 0.000) 0.952 19.877 ( 12.081 1.060 0.000) 12.127 19.924 ( 10.875 0.108 0.000) 10.875 20.090 ( 5.529 -5.346 0.000) 7.691 20.102 ( -4.003 -4.585 0.000) 6.086 20.279 ( -6.692 3.533 0.000) 7.567 20.313 ( 2.577 -0.048 0.000) 2.577 20.478 ( -15.490 -2.482 0.000) 15.687 20.548 ( -14.436 -4.602 0.000) 15.151 22.571 ( 16.314 3.909 0.000) 16.776 22.585 ( 13.976 5.795 0.000) 15.130 22.854 ( -8.242 3.466 0.000) 8.941 22.874 ( 10.874 -1.569 0.000) 10.986 22.887 ( -12.817 3.307 0.000) 13.237 22.917 ( 11.794 -2.349 0.000) 12.025 23.138 ( -11.643 -2.227 0.000) 11.854 23.146 ( -9.853 -2.511 0.000) 10.168 27.077 ( 19.961 0.752 0.000) 19.975 27.150 ( 19.142 3.655 0.000) 19.488 27.185 ( 22.427 -1.731 0.000) 22.493 27.499 ( -20.805 2.225 0.000) 20.924 27.556 ( -19.703 3.735 0.000) 20.054 27.675 ( -16.404 -6.406 0.000) 17.611 27.774 ( -0.357 -7.167 0.000) 7.176 27.975 ( -11.944 -6.117 0.000) 13.420 29.687 ( 3.895 4.423 0.000) 5.893 29.691 ( 3.126 5.456 0.000) 6.288 29.950 ( 4.722 12.917 0.000) 13.753 29.980 ( 1.311 9.217 0.000) 9.309 30.302 ( 12.001 -6.039 0.000) 13.435 30.362 ( 4.877 -1.663 0.000) 5.152 30.429 ( 6.898 1.666 0.000) 7.097 30.499 ( 5.796 -1.023 0.000) 5.885 30.556 ( -5.447 -0.605 0.000) 5.480 30.566 ( 7.815 -1.057 0.000) 7.886 30.629 ( -7.636 -0.137 0.000) 7.637 30.721 ( -7.711 -1.804 0.000) 7.919 30.842 ( -5.482 -11.815 0.000) 13.025 30.845 ( -7.212 -4.354 0.000) 8.425 31.228 ( 16.208 -13.288 0.000) 20.959 31.531 ( -12.780 -17.439 0.000) 21.620 32.078 ( 8.532 5.131 0.000) 9.956 32.189 ( 9.122 2.920 0.000) 9.578 32.243 ( -7.237 6.159 0.000) 9.503 32.346 ( -4.136 -0.865 0.000) 4.226 32.507 ( 8.769 -0.183 0.000) 8.771 32.547 ( 0.980 -4.619 0.000) 4.722 32.627 ( -5.978 -1.786 0.000) 6.239 32.721 ( -10.355 -3.540 0.000) 10.943 35.269 ( 1.825 1.768 0.000) 2.541 35.298 ( -1.101 2.661 0.000) 2.880 35.500 ( 1.665 2.675 0.000) 3.151 35.522 ( -0.795 6.767 0.000) 6.813 35.617 ( 5.058 -3.103 0.000) 5.934 35.694 ( -2.464 -2.617 0.000) 3.594 35.771 ( 2.213 7.427 0.000) 7.750 35.792 ( -0.163 7.052 0.000) 7.054 35.987 ( 2.570 5.673 0.000) 6.228 36.012 ( 1.341 7.767 0.000) 7.882 36.183 ( -1.696 1.815 0.000) 2.484 36.258 ( -8.891 19.809 0.000) 21.713 36.649 ( 18.286 -7.326 0.000) 19.700 37.006 ( 20.529 -7.734 0.000) 21.938 37.027 ( -18.623 -9.131 0.000) 20.741 37.435 ( -21.549 -8.134 0.000) 23.033 ======================= Grid point 14 (9/36) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.000 19.559 0.000) 19.559 0.990 ( 0.000 26.697 0.000) 26.697 1.285 ( 0.000 -11.282 0.000) 11.282 1.544 ( 0.000 -25.971 0.000) 25.971 1.579 ( 0.000 2.636 0.000) 2.636 1.679 ( 0.000 31.005 0.000) 31.005 1.712 ( 0.000 -5.646 0.000) 5.646 1.855 ( 0.000 6.792 0.000) 6.792 2.001 ( 0.000 -6.259 0.000) 6.259 2.029 ( 0.000 2.582 0.000) 2.582 2.140 ( 0.000 5.070 0.000) 5.070 2.274 ( 0.000 -0.959 0.000) 0.959 2.291 ( 0.000 10.460 0.000) 10.460 2.305 ( 0.000 -11.076 0.000) 11.076 2.327 ( 0.000 6.146 0.000) 6.146 2.362 ( 0.000 1.766 0.000) 1.766 2.404 ( 0.000 -9.377 0.000) 9.377 2.480 ( 0.000 -6.421 0.000) 6.421 2.546 ( 0.000 -12.462 0.000) 12.462 2.582 ( 0.000 -10.934 0.000) 10.934 2.724 ( 0.000 4.507 0.000) 4.507 2.730 ( 0.000 2.574 0.000) 2.574 2.795 ( 0.000 -3.756 0.000) 3.756 2.872 ( 0.000 5.706 0.000) 5.706 2.953 ( 0.000 -14.726 0.000) 14.726 2.975 ( 0.000 -2.631 0.000) 2.631 3.028 ( 0.000 1.175 0.000) 1.175 3.063 ( 0.000 -1.026 0.000) 1.026 3.139 ( 0.000 6.033 0.000) 6.033 3.264 ( 0.000 -6.039 0.000) 6.039 3.354 ( 0.000 3.448 0.000) 3.448 3.397 ( 0.000 -1.195 0.000) 1.195 3.469 ( 0.000 0.161 0.000) 0.161 3.508 ( 0.000 -2.745 0.000) 2.745 3.757 ( 0.000 3.156 0.000) 3.156 3.798 ( 0.000 3.944 0.000) 3.944 3.821 ( 0.000 -0.701 0.000) 0.701 3.854 ( 0.000 -1.467 0.000) 1.467 3.860 ( 0.000 1.928 0.000) 1.928 3.895 ( 0.000 -1.308 0.000) 1.308 3.948 ( 0.000 -0.773 0.000) 0.773 4.055 ( 0.000 -8.612 0.000) 8.612 4.337 ( 0.000 6.106 0.000) 6.106 4.412 ( 0.000 -0.837 0.000) 0.837 4.461 ( 0.000 2.446 0.000) 2.446 4.500 ( 0.000 -1.447 0.000) 1.447 4.601 ( 0.000 3.153 0.000) 3.153 4.634 ( 0.000 9.448 0.000) 9.448 4.642 ( 0.000 -1.596 0.000) 1.596 4.827 ( 0.000 -8.773 0.000) 8.773 4.854 ( 0.000 2.936 0.000) 2.936 4.888 ( 0.000 0.916 0.000) 0.916 5.112 ( 0.000 2.347 0.000) 2.347 5.122 ( 0.000 0.734 0.000) 0.734 5.281 ( 0.000 6.432 0.000) 6.432 5.305 ( 0.000 3.773 0.000) 3.773 5.352 ( 0.000 0.214 0.000) 0.214 5.390 ( 0.000 -3.641 0.000) 3.641 5.529 ( 0.000 5.248 0.000) 5.248 5.651 ( 0.000 3.381 0.000) 3.381 5.699 ( 0.000 -10.545 0.000) 10.545 5.816 ( 0.000 -11.672 0.000) 11.672 5.954 ( 0.000 7.258 0.000) 7.258 6.109 ( 0.000 -6.565 0.000) 6.565 6.264 ( 0.000 2.705 0.000) 2.705 6.307 ( 0.000 -1.251 0.000) 1.251 6.341 ( 0.000 2.084 0.000) 2.084 6.397 ( 0.000 -3.629 0.000) 3.629 6.492 ( 0.000 7.896 0.000) 7.896 6.624 ( 0.000 -4.742 0.000) 4.742 6.785 ( 0.000 2.671 0.000) 2.671 6.840 ( 0.000 -2.462 0.000) 2.462 8.142 ( 0.000 1.314 0.000) 1.314 8.155 ( 0.000 0.039 0.000) 0.039 8.212 ( 0.000 2.307 0.000) 2.307 8.239 ( 0.000 2.983 0.000) 2.983 8.260 ( 0.000 -2.206 0.000) 2.206 8.284 ( 0.000 0.737 0.000) 0.737 8.302 ( 0.000 -0.940 0.000) 0.940 8.304 ( 0.000 -3.172 0.000) 3.172 9.181 ( 0.000 2.082 0.000) 2.082 9.210 ( 0.000 0.928 0.000) 0.928 9.232 ( 0.000 -1.187 0.000) 1.187 9.239 ( 0.000 -3.201 0.000) 3.201 9.388 ( 0.000 2.124 0.000) 2.124 9.440 ( 0.000 -2.720 0.000) 2.720 9.477 ( 0.000 3.998 0.000) 3.998 9.572 ( 0.000 -4.947 0.000) 4.947 9.846 ( 0.000 0.360 0.000) 0.360 9.849 ( 0.000 -0.020 0.000) 0.020 9.863 ( 0.000 -0.161 0.000) 0.161 9.867 ( 0.000 -0.510 0.000) 0.510 10.081 ( 0.000 1.532 0.000) 1.532 10.095 ( 0.000 0.010 0.000) 0.010 10.300 ( 0.000 2.908 0.000) 2.908 10.367 ( 0.000 -3.368 0.000) 3.368 10.775 ( 0.000 2.597 0.000) 2.597 10.825 ( 0.000 -1.853 0.000) 1.853 10.869 ( 0.000 0.501 0.000) 0.501 10.892 ( 0.000 -1.531 0.000) 1.531 11.017 ( 0.000 1.928 0.000) 1.928 11.061 ( 0.000 -2.489 0.000) 2.489 11.306 ( 0.000 0.766 0.000) 0.766 11.310 ( 0.000 0.374 0.000) 0.374 11.759 ( 0.000 0.608 0.000) 0.608 11.779 ( 0.000 -1.168 0.000) 1.168 11.830 ( 0.000 0.720 0.000) 0.720 11.856 ( 0.000 -1.604 0.000) 1.604 12.048 ( 0.000 4.138 0.000) 4.138 12.153 ( 0.000 -5.584 0.000) 5.584 12.214 ( 0.000 2.824 0.000) 2.824 12.286 ( 0.000 -3.731 0.000) 3.731 12.357 ( 0.000 2.485 0.000) 2.485 12.357 ( 0.000 2.465 0.000) 2.465 12.406 ( 0.000 -1.884 0.000) 1.884 12.413 ( 0.000 -2.676 0.000) 2.676 12.600 ( 0.000 1.350 0.000) 1.350 12.641 ( 0.000 -2.689 0.000) 2.689 12.822 ( 0.000 0.553 0.000) 0.553 12.823 ( 0.000 0.500 0.000) 0.500 12.858 ( 0.000 3.244 0.000) 3.244 12.925 ( 0.000 -3.105 0.000) 3.105 13.482 ( 0.000 0.645 0.000) 0.645 13.500 ( 0.000 -1.075 0.000) 1.075 14.002 ( 0.000 0.252 0.000) 0.252 14.004 ( 0.000 0.050 0.000) 0.050 14.250 ( 0.000 0.313 0.000) 0.313 14.253 ( 0.000 0.068 0.000) 0.068 14.429 ( 0.000 1.040 0.000) 1.040 14.442 ( 0.000 -0.295 0.000) 0.295 14.471 ( 0.000 1.515 0.000) 1.515 14.498 ( 0.000 -1.012 0.000) 1.012 14.718 ( 0.000 5.491 0.000) 5.491 14.829 ( 0.000 -4.817 0.000) 4.817 15.121 ( 0.000 3.884 0.000) 3.884 15.193 ( 0.000 -2.848 0.000) 2.848 15.764 ( 0.000 1.097 0.000) 1.097 15.788 ( 0.000 -1.168 0.000) 1.168 15.790 ( 0.000 3.426 0.000) 3.426 15.881 ( 0.000 -5.200 0.000) 5.200 16.301 ( 0.000 2.543 0.000) 2.543 16.310 ( 0.000 0.162 0.000) 0.162 16.321 ( 0.000 -0.816 0.000) 0.816 16.340 ( 0.000 -1.063 0.000) 1.063 16.857 ( 0.000 0.225 0.000) 0.225 16.859 ( 0.000 0.007 0.000) 0.007 16.909 ( 0.000 1.171 0.000) 1.171 16.917 ( 0.000 0.364 0.000) 0.364 17.139 ( 0.000 0.894 0.000) 0.894 17.156 ( 0.000 -0.677 0.000) 0.677 17.196 ( 0.000 2.369 0.000) 2.369 17.243 ( 0.000 -2.115 0.000) 2.115 19.503 ( 0.000 1.527 0.000) 1.527 19.547 ( 0.000 -2.796 0.000) 2.796 19.726 ( 0.000 1.575 0.000) 1.575 19.753 ( 0.000 -0.937 0.000) 0.937 21.222 ( 0.000 2.770 0.000) 2.770 21.243 ( 0.000 2.297 0.000) 2.297 21.284 ( 0.000 -3.078 0.000) 3.078 21.296 ( 0.000 -2.708 0.000) 2.708 21.768 ( 0.000 9.456 0.000) 9.456 21.950 ( 0.000 -7.673 0.000) 7.673 22.009 ( 0.000 4.013 0.000) 4.013 22.096 ( 0.000 -4.100 0.000) 4.100 23.370 ( 0.000 2.043 0.000) 2.043 23.398 ( 0.000 3.041 0.000) 3.041 23.424 ( 0.000 -2.928 0.000) 2.928 23.458 ( 0.000 -2.637 0.000) 2.637 26.349 ( 0.000 0.027 0.000) 0.027 26.349 ( 0.000 0.009 0.000) 0.009 26.349 ( 0.000 0.201 0.000) 0.201 26.354 ( 0.000 -0.221 0.000) 0.221 28.671 ( 0.000 4.289 0.000) 4.289 28.765 ( 0.000 -4.565 0.000) 4.565 28.893 ( 0.000 1.552 0.000) 1.552 28.927 ( 0.000 -1.607 0.000) 1.607 29.078 ( 0.000 2.626 0.000) 2.626 29.140 ( 0.000 -3.113 0.000) 3.113 29.288 ( 0.000 7.920 0.000) 7.920 29.392 ( 0.000 -2.313 0.000) 2.313 30.001 ( 0.000 6.357 0.000) 6.357 30.093 ( 0.000 1.071 0.000) 1.071 30.119 ( 0.000 -1.303 0.000) 1.303 30.122 ( 0.000 -4.318 0.000) 4.318 30.244 ( 0.000 1.288 0.000) 1.288 30.299 ( 0.000 -4.643 0.000) 4.643 30.408 ( 0.000 12.724 0.000) 12.724 30.678 ( 0.000 -10.955 0.000) 10.955 31.390 ( 0.000 4.498 0.000) 4.498 31.463 ( 0.000 -2.445 0.000) 2.445 31.516 ( 0.000 4.616 0.000) 4.616 31.527 ( 0.000 11.216 0.000) 11.216 31.605 ( 0.000 2.001 0.000) 2.001 31.653 ( 0.000 -2.290 0.000) 2.290 31.668 ( 0.000 -2.811 0.000) 2.811 32.072 ( 0.000 -35.444 0.000) 35.444 32.685 ( 0.000 10.936 0.000) 10.936 32.704 ( 0.000 3.427 0.000) 3.427 32.796 ( 0.000 -5.554 0.000) 5.554 32.904 ( 0.000 -9.773 0.000) 9.773 35.192 ( 0.000 2.859 0.000) 2.859 35.253 ( 0.000 -2.900 0.000) 2.900 35.394 ( 0.000 2.778 0.000) 2.778 35.452 ( 0.000 -2.666 0.000) 2.666 35.462 ( 0.000 7.176 0.000) 7.176 35.617 ( 0.000 -7.359 0.000) 7.359 35.790 ( 0.000 2.336 0.000) 2.336 35.825 ( 0.000 -1.299 0.000) 1.299 35.891 ( 0.000 6.686 0.000) 6.686 36.002 ( 0.000 -4.133 0.000) 4.133 36.113 ( 0.000 7.864 0.000) 7.864 36.287 ( 0.000 -7.870 0.000) 7.870 36.677 ( 0.000 28.640 0.000) 28.640 37.181 ( 0.000 -19.924 0.000) 19.924 38.275 ( 0.000 1.367 0.000) 1.367 38.308 ( 0.000 -1.717 0.000) 1.717 ======================= Grid point 15 (10/36) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 8.030 23.828 0.000) 25.145 1.190 ( 11.170 15.154 0.000) 18.826 1.454 ( 11.507 -7.289 0.000) 13.621 1.557 ( 4.501 -0.839 0.000) 4.579 1.588 ( 4.393 -24.723 0.000) 25.110 1.657 ( 3.288 -8.037 0.000) 8.684 1.882 ( 15.879 25.817 0.000) 30.310 1.913 ( -1.903 8.111 0.000) 8.332 2.010 ( 9.200 3.058 0.000) 9.694 2.079 ( 4.068 -2.660 0.000) 4.860 2.094 ( -6.439 -6.490 0.000) 9.142 2.267 ( 0.245 6.617 0.000) 6.621 2.298 ( 2.190 5.071 0.000) 5.524 2.336 ( -0.726 -0.943 0.000) 1.190 2.438 ( 8.968 6.746 0.000) 11.222 2.449 ( 9.218 -10.655 0.000) 14.089 2.501 ( 1.794 -0.106 0.000) 1.797 2.533 ( 4.770 -1.269 0.000) 4.936 2.609 ( 9.167 -13.062 0.000) 15.958 2.662 ( -4.476 6.071 0.000) 7.543 2.673 ( 8.392 -9.758 0.000) 12.870 2.753 ( 4.245 1.577 0.000) 4.529 2.822 ( 2.663 -3.593 0.000) 4.473 2.889 ( -2.601 -9.011 0.000) 9.379 2.948 ( 6.321 -0.760 0.000) 6.367 3.011 ( 3.424 -2.094 0.000) 4.014 3.119 ( 7.777 0.097 0.000) 7.777 3.178 ( 4.568 -2.090 0.000) 5.023 3.201 ( 8.007 3.166 0.000) 8.610 3.322 ( 7.619 -5.158 0.000) 9.201 3.344 ( -1.430 2.227 0.000) 2.646 3.370 ( -2.578 -0.935 0.000) 2.742 3.444 ( -1.844 2.018 0.000) 2.733 3.516 ( 0.287 -4.049 0.000) 4.059 3.737 ( -2.279 1.814 0.000) 2.912 3.777 ( -4.416 -0.741 0.000) 4.477 3.806 ( 0.453 3.480 0.000) 3.510 3.836 ( -1.684 2.775 0.000) 3.246 3.857 ( 0.283 -1.414 0.000) 1.442 3.874 ( -2.689 -0.849 0.000) 2.820 3.976 ( 2.266 -2.402 0.000) 3.302 4.032 ( -1.494 -7.126 0.000) 7.281 4.293 ( -3.851 7.334 0.000) 8.284 4.398 ( -1.664 -2.443 0.000) 2.956 4.453 ( -0.911 3.656 0.000) 3.768 4.508 ( -0.159 -1.692 0.000) 1.699 4.535 ( -5.134 4.193 0.000) 6.629 4.607 ( -2.627 -2.859 0.000) 3.882 4.613 ( -1.086 7.867 0.000) 7.942 4.786 ( -4.026 -8.195 0.000) 9.131 4.860 ( -2.548 4.587 0.000) 5.247 4.908 ( 1.165 0.087 0.000) 1.168 5.036 ( -5.545 2.347 0.000) 6.021 5.078 ( -2.598 -0.888 0.000) 2.745 5.160 ( -9.976 6.372 0.000) 11.838 5.292 ( -10.369 -4.742 0.000) 11.402 5.393 ( 5.655 3.585 0.000) 6.696 5.435 ( 8.253 0.576 0.000) 8.273 5.491 ( -1.712 5.348 0.000) 5.615 5.621 ( -3.528 -7.226 0.000) 8.041 5.671 ( 1.449 2.908 0.000) 3.249 5.815 ( -0.424 -9.768 0.000) 9.777 6.017 ( 3.024 5.974 0.000) 6.696 6.116 ( -1.320 -2.618 0.000) 2.932 6.200 ( -4.591 1.449 0.000) 4.814 6.229 ( -5.974 -1.292 0.000) 6.113 6.327 ( -0.801 1.765 0.000) 1.938 6.396 ( 0.906 -5.124 0.000) 5.204 6.477 ( -0.103 9.342 0.000) 9.343 6.630 ( 0.959 -5.241 0.000) 5.328 6.808 ( 1.968 3.654 0.000) 4.150 6.879 ( 2.583 -3.034 0.000) 3.985 8.145 ( 0.557 2.029 0.000) 2.104 8.180 ( 2.032 -0.897 0.000) 2.221 8.180 ( -1.708 3.266 0.000) 3.686 8.245 ( 0.014 -2.542 0.000) 2.542 8.284 ( 2.520 1.815 0.000) 3.106 8.285 ( 0.131 1.060 0.000) 1.068 8.312 ( 1.052 -1.220 0.000) 1.611 8.333 ( 2.689 -2.360 0.000) 3.577 9.132 ( -6.146 0.541 0.000) 6.170 9.137 ( -4.258 2.835 0.000) 5.116 9.150 ( -6.846 -1.142 0.000) 6.941 9.205 ( -3.478 -3.566 0.000) 4.981 9.340 ( -4.894 2.039 0.000) 5.302 9.387 ( -4.637 -2.330 0.000) 5.189 9.409 ( -6.701 3.925 0.000) 7.766 9.502 ( -6.959 -4.845 0.000) 8.479 9.855 ( 1.794 0.953 0.000) 2.031 9.872 ( 1.188 1.097 0.000) 1.616 9.879 ( 2.543 -1.220 0.000) 2.821 9.898 ( 2.187 -1.332 0.000) 2.560 10.102 ( 1.963 1.859 0.000) 2.703 10.135 ( 3.277 -1.180 0.000) 3.483 10.280 ( -1.376 3.277 0.000) 3.554 10.350 ( -1.201 -3.300 0.000) 3.512 10.753 ( -1.791 2.400 0.000) 2.995 10.810 ( -1.543 -2.747 0.000) 3.151 10.824 ( -4.476 1.331 0.000) 4.670 10.852 ( -3.508 -1.254 0.000) 3.726 10.969 ( -4.705 2.670 0.000) 5.410 11.018 ( -4.148 -2.051 0.000) 4.627 11.209 ( -7.932 1.619 0.000) 8.095 11.237 ( -7.673 -1.069 0.000) 7.747 11.801 ( 3.897 2.232 0.000) 4.491 11.866 ( 6.270 -3.982 0.000) 7.428 11.868 ( 3.699 0.226 0.000) 3.706 11.878 ( 2.029 -0.566 0.000) 2.106 12.006 ( -3.049 3.531 0.000) 4.666 12.096 ( -3.718 -4.684 0.000) 5.980 12.174 ( -1.514 3.596 0.000) 3.902 12.254 ( -1.783 -3.584 0.000) 4.003 12.346 ( -1.556 1.292 0.000) 2.023 12.369 ( -2.536 -0.753 0.000) 2.645 12.373 ( 0.795 1.714 0.000) 1.889 12.415 ( -0.298 -2.009 0.000) 2.031 12.622 ( 0.495 1.332 0.000) 1.421 12.659 ( 0.248 -2.354 0.000) 2.367 12.833 ( -2.419 3.075 0.000) 3.912 12.886 ( 7.016 0.874 0.000) 7.071 12.897 ( 7.548 -0.180 0.000) 7.550 12.897 ( -2.802 -2.961 0.000) 4.076 13.539 ( 5.481 0.292 0.000) 5.489 13.549 ( 4.916 -0.716 0.000) 4.968 13.957 ( -4.538 0.977 0.000) 4.642 13.973 ( -3.699 -0.600 0.000) 3.747 14.237 ( 0.244 1.478 0.000) 1.498 14.258 ( 0.497 -0.504 0.000) 0.708 14.595 ( 10.512 1.246 0.000) 10.585 14.621 ( 10.933 -1.222 0.000) 11.001 14.675 ( 19.459 6.898 0.000) 20.645 14.778 ( 5.687 4.898 0.000) 7.506 14.878 ( 4.561 -4.359 0.000) 6.309 14.885 ( 27.756 -14.463 0.000) 31.299 15.124 ( 0.026 4.711 0.000) 4.711 15.214 ( 1.718 -3.682 0.000) 4.063 15.795 ( 1.400 2.220 0.000) 2.624 15.811 ( 4.705 1.492 0.000) 4.936 15.845 ( 5.555 -1.708 0.000) 5.812 15.858 ( -1.212 -3.657 0.000) 3.852 16.302 ( -0.855 0.357 0.000) 0.926 16.316 ( -0.711 -0.961 0.000) 1.195 16.333 ( 0.041 -0.291 0.000) 0.294 16.335 ( 3.516 -1.152 0.000) 3.700 16.901 ( 3.730 0.618 0.000) 3.780 16.917 ( 4.745 -0.837 0.000) 4.818 16.927 ( 1.469 1.105 0.000) 1.839 16.938 ( 1.726 0.125 0.000) 1.731 17.133 ( -0.422 1.269 0.000) 1.337 17.154 ( -0.049 -0.703 0.000) 0.705 17.192 ( -0.193 2.595 0.000) 2.602 17.241 ( -0.064 -2.049 0.000) 2.050 19.552 ( 4.859 1.795 0.000) 5.180 19.604 ( 5.571 -3.227 0.000) 6.438 19.719 ( 0.107 0.822 0.000) 0.829 19.735 ( -0.175 -0.825 0.000) 0.843 21.003 ( -17.160 3.898 0.000) 17.597 21.016 ( -16.809 3.875 0.000) 17.250 21.085 ( -16.023 -3.842 0.000) 16.477 21.099 ( -15.547 -3.974 0.000) 16.047 21.991 ( 16.622 7.896 0.000) 18.402 22.146 ( 15.242 -6.611 0.000) 16.614 22.172 ( 12.794 5.907 0.000) 14.092 22.273 ( 13.920 -4.051 0.000) 14.497 23.307 ( -5.743 2.942 0.000) 6.453 23.345 ( -5.000 3.368 0.000) 6.029 23.375 ( -4.575 -3.380 0.000) 5.688 23.414 ( -4.390 -3.070 0.000) 5.357 26.448 ( 9.647 0.674 0.000) 9.671 26.464 ( 10.570 -0.848 0.000) 10.604 26.516 ( 15.003 3.706 0.000) 15.453 26.647 ( 23.498 -10.295 0.000) 25.654 28.423 ( -18.048 3.472 0.000) 18.379 28.497 ( -17.423 -3.428 0.000) 17.757 28.533 ( -23.792 6.430 0.000) 24.646 28.659 ( -21.244 -5.448 0.000) 21.931 29.325 ( 15.933 3.154 0.000) 16.242 29.406 ( 18.742 -4.348 0.000) 19.240 29.548 ( 10.572 4.222 0.000) 11.384 29.618 ( 19.828 -1.026 0.000) 19.854 30.040 ( 3.901 7.504 0.000) 8.458 30.140 ( 4.317 2.044 0.000) 4.777 30.171 ( 4.752 -4.069 0.000) 6.257 30.185 ( 6.112 -2.310 0.000) 6.534 30.287 ( 4.304 2.337 0.000) 4.898 30.383 ( 7.427 -7.044 0.000) 10.236 30.450 ( 3.662 10.748 0.000) 11.354 30.707 ( 2.348 -10.133 0.000) 10.402 31.206 ( -12.228 3.296 0.000) 12.664 31.234 ( -13.892 9.792 0.000) 16.996 31.264 ( -12.903 -2.294 0.000) 13.105 31.522 ( -9.513 -15.817 0.000) 18.457 31.772 ( 11.200 4.139 0.000) 11.941 31.833 ( 13.340 9.116 0.000) 16.157 31.856 ( 12.706 -3.740 0.000) 13.245 32.155 ( 6.259 -24.594 0.000) 25.378 32.653 ( -3.110 10.710 0.000) 11.152 32.675 ( -2.794 3.559 0.000) 4.525 32.765 ( -2.987 -5.125 0.000) 5.932 32.867 ( -3.612 -9.546 0.000) 10.207 35.220 ( 2.608 3.301 0.000) 4.207 35.294 ( 3.710 -3.478 0.000) 5.085 35.427 ( 3.232 3.268 0.000) 4.596 35.452 ( -0.870 7.184 0.000) 7.236 35.502 ( 4.638 -3.634 0.000) 5.892 35.608 ( -0.783 -7.007 0.000) 7.051 35.783 ( 0.235 6.647 0.000) 6.651 35.872 ( 2.323 1.347 0.000) 2.686 35.944 ( 5.954 1.158 0.000) 6.066 36.029 ( 2.016 -1.104 0.000) 2.298 36.173 ( 5.247 1.522 0.000) 5.463 36.293 ( 2.035 -6.494 0.000) 6.805 36.615 ( -5.775 27.655 0.000) 28.251 37.093 ( -8.324 -17.338 0.000) 19.232 37.947 ( -27.481 10.450 0.000) 29.401 38.112 ( -17.855 -5.977 0.000) 18.829 ======================= Grid point 16 (11/36) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 12.077 17.710 0.000) 21.435 1.357 ( 9.818 8.955 0.000) 13.288 1.577 ( 6.676 -11.924 0.000) 13.666 1.686 ( 5.073 6.434 0.000) 8.193 1.701 ( 5.792 -19.883 0.000) 20.709 1.826 ( 3.371 -3.552 0.000) 4.896 1.981 ( 7.200 0.253 0.000) 7.204 2.032 ( -3.556 0.523 0.000) 3.594 2.044 ( 2.926 -3.918 0.000) 4.891 2.095 ( -1.828 -3.812 0.000) 4.228 2.303 ( 14.506 12.393 0.000) 19.079 2.324 ( -6.978 5.723 0.000) 9.025 2.365 ( 6.470 4.921 0.000) 8.129 2.396 ( 9.031 10.304 0.000) 13.702 2.452 ( -8.208 -3.480 0.000) 8.915 2.474 ( -0.123 -1.973 0.000) 1.976 2.517 ( -0.224 -6.674 0.000) 6.678 2.555 ( 10.856 -1.787 0.000) 11.002 2.809 ( 10.245 7.315 0.000) 12.589 2.836 ( 9.914 -3.393 0.000) 10.479 2.866 ( 9.993 2.328 0.000) 10.261 2.893 ( 9.007 -2.914 0.000) 9.466 2.944 ( 4.439 -3.914 0.000) 5.918 2.974 ( 12.086 -9.470 0.000) 15.355 3.109 ( 5.463 2.169 0.000) 5.877 3.165 ( 11.431 -3.060 0.000) 11.834 3.240 ( 2.089 -1.690 0.000) 2.687 3.243 ( 4.382 -2.660 0.000) 5.126 3.272 ( -4.682 -0.679 0.000) 4.731 3.283 ( -3.182 -1.199 0.000) 3.401 3.418 ( 11.838 0.300 0.000) 11.842 3.433 ( 0.617 2.947 0.000) 3.011 3.508 ( -0.867 -3.476 0.000) 3.582 3.523 ( 8.364 -7.274 0.000) 11.085 3.680 ( -2.564 -0.312 0.000) 2.582 3.688 ( -2.797 -0.762 0.000) 2.898 3.771 ( -5.669 1.922 0.000) 5.986 3.789 ( -3.686 0.573 0.000) 3.731 3.809 ( 0.883 4.509 0.000) 4.595 3.876 ( 1.989 -1.770 0.000) 2.662 4.020 ( 3.542 -1.506 0.000) 3.848 4.058 ( 3.827 -4.832 0.000) 6.164 4.209 ( -3.873 8.435 0.000) 9.282 4.344 ( -3.502 -3.575 0.000) 5.005 4.427 ( -1.058 4.831 0.000) 4.946 4.437 ( -4.222 5.141 0.000) 6.652 4.492 ( -0.610 -0.445 0.000) 0.755 4.545 ( -3.557 -4.537 0.000) 5.765 4.595 ( -1.893 2.175 0.000) 2.883 4.667 ( -7.166 -3.550 0.000) 7.997 4.745 ( -7.786 5.401 0.000) 9.475 4.828 ( -7.895 -2.185 0.000) 8.192 4.975 ( -6.425 2.947 0.000) 7.069 4.978 ( -0.516 4.473 0.000) 4.503 5.049 ( -0.891 -2.635 0.000) 2.782 5.069 ( -9.536 -4.332 0.000) 10.473 5.429 ( -3.550 4.547 0.000) 5.768 5.462 ( -2.023 3.087 0.000) 3.691 5.515 ( -7.778 -2.004 0.000) 8.032 5.533 ( -4.184 -5.617 0.000) 7.004 5.731 ( 6.088 5.333 0.000) 8.094 5.848 ( 5.435 -4.791 0.000) 7.245 6.039 ( -0.736 2.561 0.000) 2.664 6.088 ( -1.392 -1.412 0.000) 1.983 6.132 ( -0.071 2.420 0.000) 2.421 6.196 ( 3.952 -4.139 0.000) 5.723 6.320 ( 0.113 3.420 0.000) 3.422 6.408 ( 0.829 -3.875 0.000) 3.963 6.535 ( 5.195 7.406 0.000) 9.046 6.676 ( 3.636 -4.813 0.000) 6.032 6.837 ( 0.177 3.939 0.000) 3.942 6.907 ( -0.230 -2.663 0.000) 2.673 8.168 ( 1.824 2.293 0.000) 2.930 8.174 ( 1.106 2.917 0.000) 3.120 8.223 ( 1.742 -2.714 0.000) 3.225 8.242 ( 0.052 -3.473 0.000) 3.473 8.300 ( 1.723 2.442 0.000) 2.988 8.343 ( 2.460 2.087 0.000) 3.226 8.343 ( 1.887 -1.480 0.000) 2.398 8.389 ( 2.218 -2.131 0.000) 3.076 9.004 ( -5.826 0.457 0.000) 5.844 9.022 ( -4.587 -1.308 0.000) 4.770 9.027 ( -5.867 3.356 0.000) 6.759 9.103 ( -6.002 -3.678 0.000) 7.039 9.197 ( -8.425 2.298 0.000) 8.733 9.226 ( -10.131 3.349 0.000) 10.670 9.255 ( -8.042 -3.071 0.000) 8.608 9.308 ( -11.016 -4.195 0.000) 11.787 9.913 ( 2.849 1.819 0.000) 3.381 9.917 ( 3.824 0.899 0.000) 3.928 9.949 ( 2.926 -1.608 0.000) 3.339 9.951 ( 4.121 -2.260 0.000) 4.700 10.153 ( 2.822 2.661 0.000) 3.879 10.209 ( 3.776 -2.672 0.000) 4.626 10.265 ( -0.025 3.706 0.000) 3.706 10.335 ( -0.253 -2.954 0.000) 2.965 10.706 ( -3.219 2.136 0.000) 3.864 10.714 ( -5.499 2.957 0.000) 6.243 10.764 ( -3.164 -3.054 0.000) 4.398 10.764 ( -4.557 -1.987 0.000) 4.972 10.848 ( -5.867 3.462 0.000) 6.812 10.909 ( -5.533 -2.168 0.000) 5.943 11.030 ( -8.727 0.752 0.000) 8.760 11.045 ( -10.032 -0.704 0.000) 10.057 11.874 ( 2.427 3.113 0.000) 3.947 11.912 ( 0.701 1.963 0.000) 2.085 11.947 ( 1.006 -1.093 0.000) 1.486 11.954 ( 2.454 -4.382 0.000) 5.022 11.989 ( 4.284 2.932 0.000) 5.191 12.075 ( 2.634 -4.417 0.000) 5.142 12.217 ( 1.395 0.943 0.000) 1.684 12.223 ( 0.551 0.424 0.000) 0.695 12.305 ( -0.091 1.954 0.000) 1.956 12.358 ( 1.518 -3.129 0.000) 3.478 12.379 ( 0.051 0.551 0.000) 0.553 12.393 ( -1.635 -0.517 0.000) 1.715 12.601 ( -1.989 1.462 0.000) 2.468 12.636 ( -2.461 -1.987 0.000) 3.163 12.762 ( -4.542 2.383 0.000) 5.129 12.813 ( -5.346 -2.424 0.000) 5.870 13.082 ( 11.487 1.311 0.000) 11.562 13.104 ( 11.997 -0.767 0.000) 12.021 13.685 ( 8.017 0.111 0.000) 8.018 13.691 ( 7.846 -0.417 0.000) 7.857 13.822 ( -7.612 1.569 0.000) 7.772 13.848 ( -7.961 -0.956 0.000) 8.018 14.215 ( -3.290 1.621 0.000) 3.668 14.242 ( -2.997 -0.978 0.000) 3.153 14.824 ( 10.699 1.989 0.000) 10.882 14.856 ( 10.570 -0.011 0.000) 10.570 14.927 ( 8.264 1.616 0.000) 8.421 14.994 ( 6.428 -3.524 0.000) 7.331 15.000 ( 9.217 8.415 0.000) 12.480 15.116 ( 0.103 6.011 0.000) 6.012 15.187 ( 1.629 -7.447 0.000) 7.623 15.270 ( 3.317 -8.794 0.000) 9.399 15.873 ( 5.979 0.494 0.000) 5.999 15.885 ( 4.528 -0.789 0.000) 4.597 15.950 ( 8.677 2.216 0.000) 8.956 16.004 ( 9.613 -2.801 0.000) 10.013 16.266 ( -3.025 0.459 0.000) 3.060 16.280 ( -3.062 -0.801 0.000) 3.165 16.339 ( 0.161 2.035 0.000) 2.041 16.427 ( 3.166 -7.500 0.000) 8.141 16.954 ( 1.001 0.885 0.000) 1.336 16.967 ( 1.682 0.851 0.000) 1.885 16.972 ( 1.431 -0.736 0.000) 1.610 16.999 ( 2.202 -2.221 0.000) 3.128 17.142 ( 1.878 2.155 0.000) 2.858 17.170 ( 2.154 -0.449 0.000) 2.200 17.198 ( 0.837 3.091 0.000) 3.202 17.248 ( 0.783 -1.706 0.000) 1.877 19.697 ( 9.315 2.499 0.000) 9.645 19.768 ( 10.254 -4.264 0.000) 11.105 19.768 ( 5.486 0.913 0.000) 5.562 19.809 ( 7.717 -3.593 0.000) 8.512 20.642 ( -17.326 4.619 0.000) 17.931 20.662 ( -17.299 4.518 0.000) 17.880 20.736 ( -17.274 -4.348 0.000) 17.813 20.762 ( -16.795 -4.980 0.000) 17.518 22.343 ( 17.291 6.735 0.000) 18.557 22.450 ( 13.924 7.025 0.000) 15.596 22.475 ( 16.330 -5.649 0.000) 17.279 22.568 ( 14.329 -4.486 0.000) 15.014 23.158 ( -8.560 4.464 0.000) 9.654 23.200 ( -9.184 3.982 0.000) 10.010 23.250 ( -7.571 -4.117 0.000) 8.618 23.281 ( -8.563 -3.618 0.000) 9.296 26.719 ( 16.617 1.237 0.000) 16.663 26.750 ( 17.047 -1.658 0.000) 17.128 26.881 ( 19.482 7.832 0.000) 20.997 27.115 ( 20.655 -15.227 0.000) 25.661 28.042 ( -24.221 5.977 0.000) 24.948 28.042 ( -18.867 4.740 0.000) 19.453 28.148 ( -16.707 -5.168 0.000) 17.488 28.169 ( -25.899 -5.961 0.000) 26.576 29.627 ( 12.937 5.897 0.000) 14.218 29.744 ( 8.256 9.630 0.000) 12.684 29.770 ( 16.039 -7.534 0.000) 17.720 29.946 ( 12.076 -5.955 0.000) 13.464 30.160 ( 7.866 10.031 0.000) 12.747 30.248 ( 5.763 3.762 0.000) 6.882 30.305 ( 8.030 -2.789 0.000) 8.500 30.329 ( 6.901 -4.057 0.000) 8.005 30.402 ( 6.476 3.135 0.000) 7.195 30.530 ( 3.703 8.650 0.000) 9.409 30.557 ( 8.282 -10.835 0.000) 13.638 30.741 ( 0.178 -7.244 0.000) 7.246 30.968 ( -12.245 8.606 0.000) 14.967 30.969 ( -9.956 1.368 0.000) 10.049 31.007 ( -11.946 -2.147 0.000) 12.137 31.306 ( -10.952 -22.406 0.000) 24.940 31.995 ( 10.603 5.375 0.000) 11.887 32.081 ( 10.738 6.836 0.000) 12.729 32.106 ( 11.639 -5.123 0.000) 12.717 32.278 ( 5.373 -12.809 0.000) 13.891 32.567 ( -4.997 9.777 0.000) 10.980 32.598 ( -4.519 3.863 0.000) 5.945 32.682 ( -4.949 -4.129 0.000) 6.445 32.762 ( -6.517 -8.695 0.000) 10.866 35.286 ( 3.554 4.473 0.000) 5.714 35.387 ( 4.990 -4.686 0.000) 6.845 35.430 ( -1.233 7.175 0.000) 7.280 35.517 ( 5.380 4.271 0.000) 6.869 35.586 ( -1.424 -6.705 0.000) 6.855 35.622 ( 6.768 -5.093 0.000) 8.471 35.781 ( -1.185 10.088 0.000) 10.157 35.910 ( 1.360 3.407 0.000) 3.669 36.056 ( 1.462 -2.188 0.000) 2.632 36.122 ( 9.939 -3.350 0.000) 10.489 36.278 ( 7.140 4.213 0.000) 8.290 36.457 ( 13.194 -9.288 0.000) 16.135 36.463 ( -8.642 24.547 0.000) 26.024 36.868 ( -13.108 -9.499 0.000) 16.188 37.362 ( -27.359 13.212 0.000) 30.382 37.667 ( -24.155 -12.674 0.000) 27.278 ======================= Grid point 17 (12/36) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 8.804 11.169 0.000) 14.221 1.567 ( 6.681 5.172 0.000) 8.449 1.736 ( 7.236 1.005 0.000) 7.305 1.765 ( 4.974 -5.423 0.000) 7.359 1.788 ( 2.205 -12.580 0.000) 12.772 1.862 ( 2.777 -2.724 0.000) 3.890 1.955 ( -4.299 -1.350 0.000) 4.506 1.981 ( -12.470 -0.778 0.000) 12.494 2.070 ( 2.401 0.094 0.000) 2.403 2.128 ( -4.729 2.279 0.000) 5.249 2.144 ( 3.637 -5.751 0.000) 6.805 2.240 ( -8.493 -6.928 0.000) 10.960 2.469 ( 8.388 5.419 0.000) 9.986 2.486 ( 4.178 8.048 0.000) 9.068 2.539 ( 3.074 1.738 0.000) 3.532 2.592 ( 4.543 -1.766 0.000) 4.874 2.614 ( 10.690 5.118 0.000) 11.852 2.780 ( 6.651 -2.351 0.000) 7.054 2.825 ( -9.697 2.642 0.000) 10.050 2.919 ( -3.767 -4.618 0.000) 5.960 2.962 ( 2.511 -1.725 0.000) 3.046 3.021 ( -8.386 5.420 0.000) 9.985 3.089 ( 6.738 -6.901 0.000) 9.645 3.133 ( -2.451 -5.086 0.000) 5.646 3.145 ( 11.582 4.473 0.000) 12.416 3.199 ( 12.704 1.419 0.000) 12.783 3.280 ( 4.548 -2.621 0.000) 5.249 3.312 ( 0.095 2.262 0.000) 2.264 3.332 ( 5.172 -2.815 0.000) 5.888 3.354 ( -4.075 -0.819 0.000) 4.157 3.424 ( -3.396 -1.070 0.000) 3.561 3.470 ( -5.331 -4.316 0.000) 6.859 3.573 ( -2.842 3.430 0.000) 4.454 3.592 ( 0.739 -3.436 0.000) 3.515 3.612 ( 4.899 -4.028 0.000) 6.342 3.660 ( -0.287 -3.906 0.000) 3.916 3.792 ( 6.649 3.420 0.000) 7.477 3.837 ( 8.006 -0.717 0.000) 8.038 3.862 ( 1.571 4.551 0.000) 4.815 3.926 ( 0.973 -1.755 0.000) 2.007 4.116 ( 4.014 1.374 0.000) 4.243 4.152 ( -1.338 6.126 0.000) 6.270 4.160 ( 5.794 -2.172 0.000) 6.188 4.265 ( -4.312 -3.288 0.000) 5.423 4.370 ( -1.613 5.153 0.000) 5.399 4.400 ( -2.872 5.806 0.000) 6.478 4.473 ( -2.607 -2.884 0.000) 3.887 4.487 ( -3.754 3.722 0.000) 5.286 4.510 ( 1.261 -2.773 0.000) 3.046 4.595 ( -1.857 -1.829 0.000) 2.606 4.595 ( -4.015 0.478 0.000) 4.043 4.667 ( -6.771 -3.047 0.000) 7.425 4.925 ( 1.237 -0.016 0.000) 1.237 4.949 ( -1.345 -1.914 0.000) 2.339 4.963 ( -1.731 2.561 0.000) 3.091 5.009 ( -3.723 -2.122 0.000) 4.285 5.318 ( -3.686 3.462 0.000) 5.057 5.355 ( -6.374 2.689 0.000) 6.918 5.403 ( -4.264 -4.347 0.000) 6.089 5.403 ( -2.960 -1.620 0.000) 3.375 5.858 ( 5.950 4.589 0.000) 7.514 5.953 ( 4.256 -4.055 0.000) 5.879 5.973 ( -5.107 3.194 0.000) 6.023 6.038 ( -3.838 -2.546 0.000) 4.606 6.220 ( 6.267 5.066 0.000) 8.059 6.308 ( -2.009 4.923 0.000) 5.317 6.331 ( 7.096 -5.832 0.000) 9.185 6.420 ( -1.224 -5.915 0.000) 6.040 6.669 ( 7.458 6.021 0.000) 9.585 6.769 ( 5.140 -3.049 0.000) 5.977 6.797 ( -4.352 4.115 0.000) 5.989 6.864 ( -3.805 -1.988 0.000) 4.293 8.210 ( 1.907 1.329 0.000) 2.325 8.212 ( 2.017 1.095 0.000) 2.295 8.239 ( -0.140 -1.357 0.000) 1.365 8.242 ( -0.390 -1.528 0.000) 1.577 8.349 ( 2.346 1.597 0.000) 2.838 8.371 ( 0.242 1.328 0.000) 1.350 8.382 ( 1.777 -1.412 0.000) 2.269 8.407 ( -0.441 -1.891 0.000) 1.942 8.935 ( -0.494 1.604 0.000) 1.678 8.937 ( -1.920 2.916 0.000) 3.491 8.957 ( -2.529 -0.050 0.000) 2.529 8.986 ( -5.009 -0.299 0.000) 5.018 9.058 ( -2.992 0.257 0.000) 3.003 9.072 ( -3.433 -0.782 0.000) 3.520 9.103 ( -5.509 -3.458 0.000) 6.505 9.113 ( -6.991 -3.313 0.000) 7.736 9.975 ( 2.464 1.428 0.000) 2.848 9.982 ( 1.867 1.009 0.000) 2.122 10.008 ( 2.233 -1.653 0.000) 2.778 10.016 ( 1.649 -2.163 0.000) 2.720 10.210 ( 2.805 3.410 0.000) 4.416 10.259 ( -1.388 3.625 0.000) 3.882 10.280 ( 3.093 -3.223 0.000) 4.467 10.326 ( -1.157 -2.839 0.000) 3.066 10.629 ( -2.775 3.021 0.000) 4.102 10.629 ( -2.457 2.979 0.000) 3.862 10.683 ( -2.471 -2.053 0.000) 3.213 10.692 ( -3.254 -2.914 0.000) 4.368 10.791 ( 0.618 2.529 0.000) 2.603 10.844 ( -0.453 -2.423 0.000) 2.465 10.867 ( -6.691 0.900 0.000) 6.751 10.888 ( -4.818 -1.111 0.000) 4.944 11.903 ( 0.872 3.343 0.000) 3.455 11.915 ( -0.238 2.609 0.000) 2.620 11.962 ( 1.414 -0.884 0.000) 1.667 11.983 ( 0.104 -4.002 0.000) 4.003 12.095 ( 4.190 1.872 0.000) 4.589 12.156 ( -2.872 3.823 0.000) 4.782 12.169 ( 4.906 -4.164 0.000) 6.434 12.234 ( -1.703 -3.123 0.000) 3.557 12.362 ( -0.417 1.923 0.000) 1.968 12.373 ( 0.899 0.979 0.000) 1.329 12.399 ( 1.838 -1.717 0.000) 2.515 12.404 ( 2.960 -1.603 0.000) 3.366 12.580 ( -0.645 0.456 0.000) 0.790 12.594 ( 2.244 -0.697 0.000) 2.349 12.653 ( -5.913 1.865 0.000) 6.201 12.692 ( -6.098 -1.830 0.000) 6.367 13.331 ( 12.713 1.717 0.000) 12.829 13.361 ( 13.019 -1.152 0.000) 13.070 13.584 ( -11.839 1.790 0.000) 11.974 13.617 ( -11.798 -1.383 0.000) 11.878 13.900 ( 10.039 1.092 0.000) 10.098 13.919 ( 10.511 -0.731 0.000) 10.536 14.094 ( -8.361 1.525 0.000) 8.499 14.121 ( -8.630 -1.040 0.000) 8.692 14.989 ( 5.195 3.490 0.000) 6.258 15.031 ( 6.749 2.552 0.000) 7.215 15.049 ( -1.177 5.000 0.000) 5.137 15.080 ( 6.010 -2.188 0.000) 6.396 15.121 ( -1.772 4.549 0.000) 4.882 15.126 ( 6.639 -3.544 0.000) 7.525 15.164 ( -2.611 -3.702 0.000) 4.530 15.248 ( -4.549 -5.307 0.000) 6.990 16.013 ( 7.547 0.439 0.000) 7.559 16.021 ( 7.620 -0.242 0.000) 7.623 16.121 ( 3.971 1.542 0.000) 4.259 16.152 ( -2.980 -1.194 0.000) 3.210 16.191 ( -0.676 1.672 0.000) 1.804 16.243 ( 6.526 -3.225 0.000) 7.280 16.299 ( -4.666 3.377 0.000) 5.760 16.401 ( -5.680 -6.394 0.000) 8.552 16.968 ( 0.461 0.712 0.000) 0.849 16.974 ( -0.205 0.839 0.000) 0.863 16.995 ( 0.865 -1.703 0.000) 1.910 17.009 ( -0.470 -2.321 0.000) 2.368 17.193 ( 2.186 2.720 0.000) 3.490 17.213 ( 0.169 3.200 0.000) 3.205 17.229 ( 2.697 -0.665 0.000) 2.778 17.259 ( -0.215 -1.177 0.000) 1.197 19.913 ( 11.056 2.596 0.000) 11.357 19.937 ( 9.966 1.511 0.000) 10.080 19.986 ( 8.923 -4.433 0.000) 9.964 19.997 ( 7.290 -4.401 0.000) 8.516 20.345 ( -9.150 2.758 0.000) 9.556 20.351 ( -11.032 3.745 0.000) 11.650 20.413 ( -13.587 -3.515 0.000) 14.034 20.442 ( -13.921 -5.018 0.000) 14.797 22.676 ( 15.158 5.739 0.000) 16.208 22.719 ( 12.061 6.485 0.000) 13.694 22.790 ( 14.415 -4.940 0.000) 15.238 22.838 ( 11.891 -4.843 0.000) 12.840 22.968 ( -10.020 5.541 0.000) 11.450 22.979 ( -12.174 4.760 0.000) 13.071 23.073 ( -11.717 -4.015 0.000) 12.386 23.073 ( -9.715 -4.454 0.000) 10.687 27.101 ( 20.508 1.615 0.000) 20.572 27.142 ( 21.440 -2.190 0.000) 21.552 27.267 ( 17.458 7.713 0.000) 19.086 27.464 ( 10.173 -10.819 0.000) 14.851 27.569 ( -20.494 3.665 0.000) 20.819 27.659 ( -20.258 -4.700 0.000) 20.796 27.666 ( -18.177 6.679 0.000) 19.365 27.822 ( -15.500 -8.030 0.000) 17.457 29.825 ( 6.100 8.740 0.000) 10.658 29.861 ( 2.522 10.779 0.000) 11.070 30.024 ( 8.537 -8.698 0.000) 12.187 30.096 ( 2.056 -7.878 0.000) 8.142 30.325 ( 6.359 11.051 0.000) 12.750 30.349 ( 3.308 6.229 0.000) 7.053 30.447 ( 5.334 -3.066 0.000) 6.153 30.462 ( 6.474 -0.039 0.000) 6.475 30.542 ( 6.630 0.052 0.000) 6.630 30.587 ( 0.845 5.439 0.000) 5.505 30.610 ( -2.819 -2.808 0.000) 3.979 30.696 ( -4.177 -4.407 0.000) 6.072 30.749 ( -8.128 7.444 0.000) 11.022 30.786 ( -8.479 0.062 0.000) 8.479 30.921 ( 5.735 -13.487 0.000) 14.655 31.094 ( -9.812 -22.456 0.000) 24.507 32.195 ( 8.902 5.752 0.000) 10.598 32.262 ( 6.827 4.054 0.000) 7.940 32.299 ( 5.472 -3.892 0.000) 6.715 32.329 ( -2.489 -0.411 0.000) 2.522 32.497 ( 0.544 2.531 0.000) 2.588 32.521 ( -1.195 1.864 0.000) 2.215 32.575 ( -5.252 -2.938 0.000) 6.018 32.613 ( -7.667 -6.414 0.000) 9.996 35.353 ( 2.888 5.785 0.000) 6.466 35.400 ( -1.814 6.756 0.000) 6.995 35.481 ( 4.050 -5.639 0.000) 6.943 35.547 ( -2.534 -6.269 0.000) 6.762 35.630 ( 5.449 5.756 0.000) 7.926 35.727 ( -3.933 8.108 0.000) 9.012 35.762 ( 6.716 -5.653 0.000) 8.778 35.881 ( -4.424 -3.930 0.000) 5.917 36.127 ( 6.223 10.497 0.000) 12.203 36.284 ( -8.663 19.125 0.000) 20.996 36.341 ( 11.533 -0.700 0.000) 11.554 36.510 ( 15.174 4.164 0.000) 15.735 36.594 ( -13.322 -1.363 0.000) 13.392 36.779 ( 18.174 -13.724 0.000) 22.774 36.875 ( -20.804 6.308 0.000) 21.739 37.189 ( -22.214 -15.337 0.000) 26.994 ======================= Grid point 35 (13/36) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 0.000 0.000 23.506) 23.506 0.540 ( 0.000 0.000 29.331) 29.331 1.106 ( 0.000 0.000 58.177) 58.177 1.279 ( 0.000 0.000 -22.500) 22.500 1.484 ( 0.000 0.000 -18.130) 18.130 1.657 ( 0.000 0.000 7.615) 7.615 1.961 ( 0.000 0.000 5.073) 5.073 1.965 ( 0.000 0.000 -5.339) 5.339 1.967 ( 0.000 0.000 13.168) 13.168 2.054 ( 0.000 0.000 2.909) 2.909 2.130 ( 0.000 0.000 0.093) 0.093 2.245 ( 0.000 0.000 8.126) 8.126 2.291 ( 0.000 0.000 -1.756) 1.756 2.331 ( 0.000 0.000 4.516) 4.516 2.406 ( 0.000 0.000 -4.383) 4.383 2.427 ( 0.000 0.000 12.000) 12.000 2.550 ( 0.000 0.000 -2.829) 2.829 2.566 ( 0.000 0.000 -9.337) 9.337 2.697 ( 0.000 0.000 -6.618) 6.618 2.756 ( 0.000 0.000 -0.519) 0.519 2.812 ( 0.000 0.000 -6.601) 6.601 2.814 ( 0.000 0.000 0.189) 0.189 2.869 ( 0.000 0.000 -1.828) 1.828 2.956 ( 0.000 0.000 -9.673) 9.673 2.958 ( 0.000 0.000 5.258) 5.258 2.967 ( 0.000 0.000 -0.617) 0.617 3.064 ( 0.000 0.000 -1.347) 1.347 3.106 ( 0.000 0.000 -8.835) 8.835 3.237 ( 0.000 0.000 -2.189) 2.189 3.358 ( 0.000 0.000 -4.192) 4.192 3.387 ( 0.000 0.000 1.984) 1.984 3.469 ( 0.000 0.000 1.943) 1.943 3.559 ( 0.000 0.000 1.188) 1.188 3.583 ( 0.000 0.000 7.904) 7.904 3.653 ( 0.000 0.000 0.240) 0.240 3.668 ( 0.000 0.000 -5.897) 5.897 3.723 ( 0.000 0.000 -8.727) 8.727 3.770 ( 0.000 0.000 3.822) 3.822 3.820 ( 0.000 0.000 -1.693) 1.693 4.005 ( 0.000 0.000 5.524) 5.524 4.106 ( 0.000 0.000 -14.154) 14.154 4.146 ( 0.000 0.000 2.248) 2.248 4.194 ( 0.000 0.000 -3.204) 3.204 4.315 ( 0.000 0.000 -4.484) 4.484 4.387 ( 0.000 0.000 6.122) 6.122 4.427 ( 0.000 0.000 2.636) 2.636 4.524 ( 0.000 0.000 8.393) 8.393 4.651 ( 0.000 0.000 1.638) 1.638 4.731 ( 0.000 0.000 11.305) 11.305 4.750 ( 0.000 0.000 -2.788) 2.788 4.818 ( 0.000 0.000 -8.513) 8.513 4.850 ( 0.000 0.000 6.851) 6.851 4.894 ( 0.000 0.000 -1.005) 1.005 5.067 ( 0.000 0.000 0.001) 0.001 5.081 ( 0.000 0.000 -0.270) 0.270 5.168 ( 0.000 0.000 -10.111) 10.111 5.272 ( 0.000 0.000 3.610) 3.610 5.465 ( 0.000 0.000 1.810) 1.810 5.481 ( 0.000 0.000 8.345) 8.345 5.691 ( 0.000 0.000 9.961) 9.961 5.698 ( 0.000 0.000 -9.659) 9.659 6.030 ( 0.000 0.000 8.825) 8.825 6.073 ( 0.000 0.000 8.160) 8.160 6.178 ( 0.000 0.000 0.017) 0.017 6.219 ( 0.000 0.000 -0.751) 0.751 6.304 ( 0.000 0.000 3.272) 3.272 6.311 ( 0.000 0.000 5.434) 5.434 6.464 ( 0.000 0.000 -19.305) 19.305 6.546 ( 0.000 0.000 3.486) 3.486 6.656 ( 0.000 0.000 -7.118) 7.118 6.745 ( 0.000 0.000 -3.692) 3.692 6.759 ( 0.000 0.000 -13.020) 13.020 8.038 ( 0.000 0.000 -1.082) 1.082 8.094 ( 0.000 0.000 0.556) 0.556 8.124 ( 0.000 0.000 -3.775) 3.775 8.196 ( 0.000 0.000 -4.813) 4.813 8.238 ( 0.000 0.000 5.696) 5.696 8.300 ( 0.000 0.000 1.000) 1.000 8.458 ( 0.000 0.000 6.663) 6.663 8.487 ( 0.000 0.000 8.109) 8.109 9.115 ( 0.000 0.000 -2.521) 2.521 9.181 ( 0.000 0.000 -0.670) 0.670 9.205 ( 0.000 0.000 -5.681) 5.681 9.232 ( 0.000 0.000 -5.133) 5.133 9.333 ( 0.000 0.000 -0.773) 0.773 9.373 ( 0.000 0.000 -1.591) 1.591 9.525 ( 0.000 0.000 7.476) 7.476 9.710 ( 0.000 0.000 -3.086) 3.086 9.793 ( 0.000 0.000 1.179) 1.179 9.868 ( 0.000 0.000 2.673) 2.673 9.976 ( 0.000 0.000 -1.935) 1.935 9.991 ( 0.000 0.000 7.645) 7.645 9.993 ( 0.000 0.000 8.938) 8.938 10.014 ( 0.000 0.000 -6.266) 6.266 10.225 ( 0.000 0.000 -3.481) 3.481 10.368 ( 0.000 0.000 -8.715) 8.715 10.723 ( 0.000 0.000 1.138) 1.138 10.823 ( 0.000 0.000 -3.951) 3.951 10.853 ( 0.000 0.000 0.505) 0.505 10.878 ( 0.000 0.000 -0.231) 0.231 11.021 ( 0.000 0.000 5.591) 5.591 11.181 ( 0.000 0.000 2.427) 2.427 11.242 ( 0.000 0.000 -3.845) 3.845 11.272 ( 0.000 0.000 -1.424) 1.424 11.777 ( 0.000 0.000 1.945) 1.945 11.789 ( 0.000 0.000 -1.432) 1.432 11.794 ( 0.000 0.000 -2.420) 2.420 11.870 ( 0.000 0.000 -1.980) 1.980 12.145 ( 0.000 0.000 -0.173) 0.173 12.152 ( 0.000 0.000 -1.082) 1.082 12.213 ( 0.000 0.000 -3.859) 3.859 12.244 ( 0.000 0.000 -4.852) 4.852 12.397 ( 0.000 0.000 1.667) 1.667 12.406 ( 0.000 0.000 0.508) 0.508 12.430 ( 0.000 0.000 6.215) 6.215 12.478 ( 0.000 0.000 0.867) 0.867 12.633 ( 0.000 0.000 6.603) 6.603 12.762 ( 0.000 0.000 0.321) 0.321 12.764 ( 0.000 0.000 0.224) 0.224 12.897 ( 0.000 0.000 11.762) 11.762 12.932 ( 0.000 0.000 2.958) 2.958 12.968 ( 0.000 0.000 5.388) 5.388 13.378 ( 0.000 0.000 -9.646) 9.646 13.448 ( 0.000 0.000 -9.038) 9.038 14.048 ( 0.000 0.000 5.714) 5.714 14.192 ( 0.000 0.000 3.258) 3.258 14.222 ( 0.000 0.000 -2.172) 2.172 14.326 ( 0.000 0.000 -3.374) 3.374 14.434 ( 0.000 0.000 0.828) 0.828 14.434 ( 0.000 0.000 2.586) 2.586 14.445 ( 0.000 0.000 0.168) 0.168 14.506 ( 0.000 0.000 -1.107) 1.107 14.637 ( 0.000 0.000 5.987) 5.987 14.954 ( 0.000 0.000 -6.619) 6.619 15.274 ( 0.000 0.000 2.622) 2.622 15.411 ( 0.000 0.000 -3.305) 3.305 15.721 ( 0.000 0.000 -0.213) 0.213 15.787 ( 0.000 0.000 -2.830) 2.830 16.033 ( 0.000 0.000 -0.008) 0.008 16.040 ( 0.000 0.000 -0.289) 0.289 16.246 ( 0.000 0.000 2.022) 2.022 16.309 ( 0.000 0.000 -0.824) 0.824 16.335 ( 0.000 0.000 0.671) 0.671 16.351 ( 0.000 0.000 -0.057) 0.057 16.854 ( 0.000 0.000 0.823) 0.823 16.857 ( 0.000 0.000 -0.100) 0.100 16.857 ( 0.000 0.000 -0.178) 0.178 16.888 ( 0.000 0.000 -0.645) 0.645 17.134 ( 0.000 0.000 0.614) 0.614 17.142 ( 0.000 0.000 2.821) 2.821 17.164 ( 0.000 0.000 -0.639) 0.639 17.268 ( 0.000 0.000 -2.665) 2.665 19.502 ( 0.000 0.000 2.782) 2.782 19.647 ( 0.000 0.000 -3.450) 3.450 19.662 ( 0.000 0.000 1.786) 1.786 19.748 ( 0.000 0.000 -1.894) 1.894 21.164 ( 0.000 0.000 0.521) 0.521 21.188 ( 0.000 0.000 -0.522) 0.522 21.368 ( 0.000 0.000 0.474) 0.474 21.378 ( 0.000 0.000 0.004) 0.004 21.469 ( 0.000 0.000 0.636) 0.636 21.513 ( 0.000 0.000 -1.177) 1.177 22.127 ( 0.000 0.000 1.134) 1.134 22.182 ( 0.000 0.000 -1.227) 1.227 23.321 ( 0.000 0.000 0.348) 0.348 23.335 ( 0.000 0.000 -0.237) 0.237 23.501 ( 0.000 0.000 -0.068) 0.068 23.511 ( 0.000 0.000 -0.521) 0.521 26.345 ( 0.000 0.000 0.053) 0.053 26.347 ( 0.000 0.000 -0.041) 0.041 26.350 ( 0.000 0.000 0.175) 0.175 26.358 ( 0.000 0.000 -0.178) 0.178 28.640 ( 0.000 0.000 7.013) 7.013 28.666 ( 0.000 0.000 5.194) 5.194 28.942 ( 0.000 0.000 -5.440) 5.440 28.977 ( 0.000 0.000 -0.218) 0.218 29.011 ( 0.000 0.000 -1.086) 1.086 29.013 ( 0.000 0.000 -12.979) 12.979 29.656 ( 0.000 0.000 18.488) 18.488 29.901 ( 0.000 0.000 5.466) 5.466 30.090 ( 0.000 0.000 1.893) 1.893 30.140 ( 0.000 0.000 1.411) 1.411 30.152 ( 0.000 0.000 -5.279) 5.279 30.159 ( 0.000 0.000 -2.151) 2.151 30.210 ( 0.000 0.000 -1.419) 1.419 30.346 ( 0.000 0.000 -14.388) 14.388 30.775 ( 0.000 0.000 1.223) 1.223 30.830 ( 0.000 0.000 -1.082) 1.082 31.336 ( 0.000 0.000 2.775) 2.775 31.458 ( 0.000 0.000 6.938) 6.938 31.473 ( 0.000 0.000 -2.768) 2.768 31.606 ( 0.000 0.000 3.996) 3.996 31.671 ( 0.000 0.000 -3.146) 3.146 31.814 ( 0.000 0.000 -4.549) 4.549 32.419 ( 0.000 0.000 4.301) 4.301 32.599 ( 0.000 0.000 -3.587) 3.587 33.015 ( 0.000 0.000 1.650) 1.650 33.097 ( 0.000 0.000 -1.901) 1.901 33.486 ( 0.000 0.000 0.931) 0.931 33.521 ( 0.000 0.000 -0.643) 0.643 35.147 ( 0.000 0.000 2.513) 2.513 35.287 ( 0.000 0.000 -3.767) 3.767 35.297 ( 0.000 0.000 1.099) 1.099 35.354 ( 0.000 0.000 3.588) 3.588 35.417 ( 0.000 0.000 -5.001) 5.001 35.531 ( 0.000 0.000 -4.931) 4.931 35.678 ( 0.000 0.000 6.076) 6.076 35.831 ( 0.000 0.000 4.286) 4.286 35.854 ( 0.000 0.000 4.022) 4.022 35.871 ( 0.000 0.000 -3.392) 3.392 35.888 ( 0.000 0.000 4.876) 4.876 35.955 ( 0.000 0.000 -1.723) 1.723 36.077 ( 0.000 0.000 -0.696) 0.696 36.346 ( 0.000 0.000 -10.630) 10.630 37.742 ( 0.000 0.000 13.544) 13.544 38.261 ( 0.000 0.000 -9.763) 9.763 ======================= Grid point 36 (14/36) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 15.960 0.000 20.596) 26.056 0.909 ( 23.962 0.000 19.645) 30.986 1.357 ( 27.448 0.000 36.707) 45.834 1.449 ( 12.098 0.000 -12.764) 17.586 1.537 ( 5.553 0.000 -16.388) 17.303 1.817 ( 13.697 0.000 2.582) 13.939 1.959 ( 0.481 0.000 6.155) 6.174 1.977 ( 0.823 0.000 -3.901) 3.987 2.015 ( 3.796 0.000 4.819) 6.134 2.077 ( 0.157 0.000 1.391) 1.400 2.081 ( 1.925 0.000 3.866) 4.319 2.237 ( -2.724 0.000 5.931) 6.527 2.268 ( 2.960 0.000 0.385) 2.985 2.371 ( -3.948 0.000 10.143) 10.884 2.443 ( 11.857 0.000 -0.543) 11.869 2.535 ( 7.282 0.000 -0.176) 7.285 2.553 ( 1.947 0.000 -2.222) 2.955 2.625 ( 0.507 0.000 -5.805) 5.828 2.657 ( -1.217 0.000 -8.927) 9.009 2.700 ( -4.551 0.000 1.549) 4.808 2.862 ( -2.105 0.000 0.426) 2.147 2.884 ( 5.560 0.000 -1.912) 5.880 2.907 ( 1.317 0.000 1.145) 1.745 2.969 ( 4.210 0.000 -8.875) 9.823 3.015 ( 0.219 0.000 2.761) 2.769 3.082 ( 6.346 0.000 -9.574) 11.486 3.142 ( 5.888 0.000 -0.811) 5.944 3.183 ( 13.886 0.000 -8.491) 16.276 3.260 ( 3.066 0.000 -0.950) 3.210 3.357 ( 0.138 0.000 4.799) 4.801 3.385 ( 0.213 0.000 -3.261) 3.268 3.503 ( -0.367 0.000 -0.001) 0.367 3.529 ( 2.681 0.000 4.658) 5.375 3.564 ( -0.394 0.000 -0.727) 0.827 3.641 ( 4.031 0.000 -1.961) 4.483 3.689 ( 2.682 0.000 -0.577) 2.743 3.735 ( -3.965 0.000 3.267) 5.137 3.772 ( -2.513 0.000 -9.307) 9.640 3.779 ( -3.116 0.000 -2.394) 3.930 3.985 ( -6.650 0.000 -2.980) 7.287 4.083 ( -0.199 0.000 -2.696) 2.703 4.152 ( -0.433 0.000 -3.719) 3.744 4.190 ( -0.500 0.000 -1.682) 1.755 4.298 ( -2.139 0.000 -3.681) 4.257 4.368 ( -0.882 0.000 3.402) 3.515 4.419 ( -0.449 0.000 1.778) 1.834 4.484 ( -2.654 0.000 7.863) 8.299 4.624 ( -2.837 0.000 1.744) 3.330 4.721 ( -2.781 0.000 0.352) 2.803 4.726 ( -1.665 0.000 -4.053) 4.381 4.735 ( -2.553 0.000 8.533) 8.906 4.916 ( -2.081 0.000 -1.440) 2.531 4.937 ( 2.496 0.000 -0.352) 2.520 5.075 ( -1.250 0.000 0.905) 1.543 5.132 ( 6.346 0.000 3.985) 7.493 5.154 ( -1.008 0.000 -8.139) 8.201 5.171 ( -4.839 0.000 9.776) 10.909 5.442 ( -1.680 0.000 2.119) 2.705 5.552 ( 5.236 0.000 10.654) 11.871 5.664 ( -0.631 0.000 1.094) 1.263 5.746 ( 4.223 0.000 -11.838) 12.569 5.937 ( -11.615 0.000 5.507) 12.854 6.038 ( -5.579 0.000 3.134) 6.399 6.056 ( -2.750 0.000 1.293) 3.039 6.133 ( -3.980 0.000 2.815) 4.875 6.233 ( -6.555 0.000 -2.465) 7.003 6.334 ( -0.012 0.000 2.504) 2.504 6.478 ( -3.805 0.000 9.821) 10.532 6.517 ( 4.260 0.000 -11.136) 11.923 6.597 ( 2.062 0.000 2.231) 3.038 6.710 ( -1.092 0.000 -4.973) 5.091 6.834 ( 3.415 0.000 -9.955) 10.525 8.049 ( 1.595 0.000 -1.085) 1.930 8.086 ( 0.949 0.000 -1.636) 1.891 8.190 ( 4.701 0.000 -1.223) 4.858 8.225 ( 2.311 0.000 -2.797) 3.628 8.244 ( 0.739 0.000 5.214) 5.266 8.314 ( 1.308 0.000 1.578) 2.050 8.454 ( -0.283 0.000 5.710) 5.717 8.483 ( -0.567 0.000 7.178) 7.201 9.048 ( -5.468 0.000 -2.231) 5.906 9.121 ( -6.035 0.000 -3.791) 7.127 9.177 ( -2.924 0.000 -2.501) 3.848 9.187 ( -4.795 0.000 -4.215) 6.384 9.310 ( -5.572 0.000 -0.833) 5.634 9.310 ( -3.069 0.000 -1.058) 3.246 9.485 ( -4.278 0.000 5.211) 6.742 9.620 ( -8.263 0.000 -1.840) 8.465 9.840 ( 3.962 0.000 2.574) 4.725 9.908 ( 3.110 0.000 2.479) 3.977 9.964 ( -0.142 0.000 7.251) 7.253 10.002 ( 2.490 0.000 -3.481) 4.280 10.018 ( 1.347 0.000 7.259) 7.383 10.078 ( 3.878 0.000 -7.074) 8.067 10.196 ( -1.390 0.000 -1.993) 2.430 10.351 ( -1.203 0.000 -8.253) 8.340 10.700 ( -1.773 0.000 -1.099) 2.086 10.735 ( -6.939 0.000 -2.621) 7.417 10.861 ( -2.434 0.000 0.107) 2.436 10.867 ( 1.040 0.000 -0.020) 1.040 10.949 ( -6.654 0.000 5.525) 8.649 11.095 ( -7.388 0.000 1.991) 7.651 11.122 ( -7.475 0.000 -3.076) 8.084 11.219 ( -7.053 0.000 -3.382) 7.822 11.776 ( 1.027 0.000 0.686) 1.235 11.838 ( -0.486 0.000 -1.338) 1.424 11.859 ( 4.064 0.000 -2.685) 4.871 11.888 ( 6.657 0.000 -3.721) 7.626 12.090 ( -1.529 0.000 0.251) 1.550 12.110 ( -3.239 0.000 2.495) 4.088 12.152 ( -2.912 0.000 -3.407) 4.482 12.238 ( -2.610 0.000 -4.436) 5.147 12.372 ( -0.980 0.000 2.702) 2.874 12.400 ( 1.353 0.000 -0.689) 1.518 12.402 ( -2.411 0.000 4.742) 5.320 12.455 ( -2.361 0.000 0.190) 2.369 12.631 ( -0.896 0.000 5.793) 5.862 12.746 ( -1.631 0.000 -0.227) 1.646 12.748 ( -1.493 0.000 0.219) 1.509 12.905 ( -2.504 0.000 -3.176) 4.044 12.985 ( 7.411 0.000 10.864) 13.151 13.032 ( 6.570 0.000 11.681) 13.402 13.449 ( 6.669 0.000 -9.244) 11.399 13.493 ( 4.382 0.000 -8.527) 9.587 14.036 ( -2.756 0.000 6.873) 7.405 14.081 ( -8.177 0.000 9.707) 12.692 14.198 ( -0.310 0.000 1.028) 1.074 14.241 ( 1.233 0.000 -1.884) 2.252 14.536 ( 11.903 0.000 -0.616) 11.919 14.559 ( 9.866 0.000 -0.737) 9.893 14.690 ( 15.314 0.000 2.060) 15.451 14.694 ( 5.776 0.000 5.346) 7.870 14.882 ( 11.228 0.000 -7.601) 13.559 14.946 ( -0.585 0.000 -5.493) 5.524 15.318 ( 3.691 0.000 3.550) 5.121 15.559 ( 5.713 0.000 -8.243) 10.029 15.756 ( 3.769 0.000 0.847) 3.863 15.839 ( 0.634 0.000 0.751) 0.983 15.870 ( 0.345 0.000 0.928) 0.990 15.962 ( -5.708 0.000 -1.124) 5.818 16.312 ( 0.164 0.000 1.258) 1.268 16.331 ( -0.478 0.000 0.454) 0.659 16.347 ( -0.832 0.000 -0.291) 0.881 16.589 ( 11.159 0.000 -20.605) 23.432 16.895 ( 3.607 0.000 0.536) 3.647 16.905 ( 2.706 0.000 0.113) 2.709 16.939 ( 6.791 0.000 0.023) 6.791 16.960 ( 6.274 0.000 -1.186) 6.385 17.120 ( -1.152 0.000 0.645) 1.320 17.125 ( -1.777 0.000 1.626) 2.409 17.160 ( -0.469 0.000 0.210) 0.514 17.262 ( -0.527 0.000 -2.619) 2.672 19.542 ( 3.995 0.000 2.329) 4.624 19.668 ( 1.739 0.000 -3.199) 3.641 19.731 ( 6.763 0.000 1.644) 6.960 19.821 ( 7.779 0.000 -2.877) 8.294 20.871 ( -18.809 0.000 0.808) 18.826 20.907 ( -18.313 0.000 -0.721) 18.327 21.184 ( -15.028 0.000 0.488) 15.036 21.203 ( -14.364 0.000 -0.151) 14.364 21.772 ( 19.717 0.000 0.421) 19.721 21.788 ( 18.514 0.000 0.106) 18.514 22.306 ( 14.149 0.000 1.283) 14.207 22.354 ( 13.861 0.000 -1.029) 13.899 23.226 ( -6.742 0.000 -1.591) 6.927 23.237 ( -8.530 0.000 -0.703) 8.559 23.460 ( -3.972 0.000 -0.017) 3.972 23.476 ( -3.838 0.000 -1.007) 3.968 26.437 ( 9.126 0.000 0.355) 9.133 26.452 ( 10.163 0.000 -0.320) 10.168 26.509 ( 13.797 0.000 2.576) 14.036 26.904 ( 31.733 0.000 -30.764) 44.197 28.343 ( -20.770 0.000 2.192) 20.885 28.380 ( -18.041 0.000 1.232) 18.083 28.789 ( -17.139 0.000 0.858) 17.160 28.822 ( -19.572 0.000 2.197) 19.695 29.243 ( 17.762 0.000 -2.761) 17.976 29.243 ( 14.456 0.000 -6.149) 15.709 29.701 ( -0.117 0.000 17.749) 17.749 29.882 ( -1.263 0.000 3.171) 3.414 29.885 ( -1.160 0.000 19.666) 19.700 30.153 ( 4.805 0.000 4.177) 6.366 30.182 ( 2.982 0.000 -1.338) 3.268 30.203 ( 5.033 0.000 -2.194) 5.490 30.256 ( 4.788 0.000 -3.308) 5.819 30.489 ( 11.635 0.000 -13.413) 17.756 30.828 ( -0.435 0.000 -0.025) 0.436 30.880 ( 2.279 0.000 -6.771) 7.144 31.131 ( -11.313 0.000 4.187) 12.063 31.279 ( -13.033 0.000 -2.865) 13.344 31.609 ( 0.905 0.000 5.008) 5.089 31.677 ( 12.500 0.000 4.314) 13.223 31.837 ( 2.256 0.000 -3.516) 4.177 31.881 ( 11.280 0.000 -2.430) 11.539 32.310 ( -24.302 0.000 25.970) 35.567 32.467 ( -20.174 0.000 24.287) 31.573 32.565 ( -3.404 0.000 -3.649) 4.990 32.946 ( -7.101 0.000 0.333) 7.109 33.066 ( -4.575 0.000 -0.406) 4.593 33.246 ( -21.813 0.000 -5.544) 22.506 35.214 ( 3.834 0.000 3.625) 5.277 35.305 ( 0.279 0.000 1.543) 1.568 35.411 ( 6.145 0.000 3.458) 7.052 35.418 ( -0.244 0.000 -5.019) 5.025 35.474 ( 0.555 0.000 -8.173) 8.192 35.598 ( 0.597 0.000 0.236) 0.642 35.695 ( 8.415 0.000 -5.348) 9.971 35.768 ( -1.215 0.000 3.712) 3.906 35.778 ( -3.875 0.000 -0.228) 3.881 35.880 ( -0.364 0.000 -1.934) 1.968 35.982 ( -0.281 0.000 4.731) 4.739 36.094 ( 13.526 0.000 5.582) 14.632 36.271 ( 15.740 0.000 -3.066) 16.036 36.339 ( -1.591 0.000 -9.558) 9.689 37.755 ( -4.649 0.000 5.783) 7.420 38.152 ( -10.405 0.000 -8.726) 13.580 ======================= Grid point 37 (15/36) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 21.868 0.000 11.515) 24.714 1.278 ( 15.735 0.000 25.377) 29.860 1.673 ( 8.394 0.000 -12.164) 14.779 1.728 ( 16.228 0.000 -3.681) 16.640 1.836 ( -1.071 0.000 6.264) 6.355 1.975 ( 1.558 0.000 0.379) 1.603 1.987 ( 0.706 0.000 -2.318) 2.423 2.028 ( 0.941 0.000 0.631) 1.133 2.068 ( 14.926 0.000 6.473) 16.269 2.150 ( 10.538 0.000 3.381) 11.067 2.177 ( 3.659 0.000 2.227) 4.283 2.299 ( 4.685 0.000 6.739) 8.207 2.337 ( 5.882 0.000 10.513) 12.047 2.411 ( -3.865 0.000 -1.308) 4.080 2.474 ( -7.119 0.000 -2.773) 7.640 2.583 ( 4.329 0.000 -4.460) 6.215 2.619 ( -1.768 0.000 3.005) 3.486 2.645 ( 2.821 0.000 -4.202) 5.061 2.693 ( 4.682 0.000 -3.321) 5.740 2.737 ( 12.196 0.000 -2.209) 12.394 2.893 ( 3.221 0.000 -1.654) 3.621 2.922 ( 7.904 0.000 6.201) 10.047 3.046 ( 4.712 0.000 -5.391) 7.160 3.046 ( 4.008 0.000 0.490) 4.038 3.132 ( 11.987 0.000 -2.393) 12.223 3.150 ( 0.652 0.000 -9.010) 9.034 3.297 ( -3.334 0.000 1.661) 3.725 3.302 ( 5.743 0.000 2.846) 6.409 3.367 ( 3.381 0.000 -1.569) 3.727 3.398 ( 9.921 0.000 -2.628) 10.263 3.419 ( 2.821 0.000 2.313) 3.648 3.521 ( -2.739 0.000 2.748) 3.880 3.536 ( -0.106 0.000 -2.379) 2.381 3.586 ( -0.639 0.000 0.146) 0.655 3.643 ( 1.212 0.000 -0.984) 1.561 3.658 ( -7.191 0.000 -5.110) 8.822 3.701 ( -4.986 0.000 -3.259) 5.957 3.771 ( 5.870 0.000 -1.874) 6.162 3.818 ( 6.725 0.000 -0.078) 6.726 3.871 ( 2.092 0.000 -5.301) 5.699 4.034 ( -4.403 0.000 3.166) 5.423 4.100 ( -3.822 0.000 -4.045) 5.565 4.181 ( -0.584 0.000 0.031) 0.585 4.238 ( -3.206 0.000 -3.454) 4.713 4.355 ( -0.960 0.000 -0.208) 0.983 4.419 ( 0.647 0.000 0.313) 0.718 4.465 ( 0.834 0.000 7.284) 7.331 4.531 ( -5.644 0.000 1.493) 5.838 4.599 ( -7.052 0.000 -5.732) 9.087 4.692 ( -5.472 0.000 6.543) 8.530 4.713 ( 0.784 0.000 -4.727) 4.791 4.816 ( -2.237 0.000 8.460) 8.751 4.933 ( -2.650 0.000 -3.904) 4.719 5.026 ( -3.028 0.000 3.897) 4.935 5.078 ( -5.869 0.000 13.789) 14.986 5.139 ( -1.349 0.000 -2.743) 3.057 5.264 ( 4.301 0.000 3.592) 5.603 5.419 ( -0.255 0.000 1.401) 1.424 5.573 ( -5.102 0.000 1.394) 5.289 5.651 ( -6.479 0.000 1.776) 6.718 5.721 ( -9.899 0.000 -4.942) 11.064 5.783 ( 3.662 0.000 -2.461) 4.412 5.886 ( -2.560 0.000 -11.083) 11.375 6.055 ( -3.986 0.000 -6.468) 7.597 6.130 ( 3.358 0.000 8.085) 8.754 6.235 ( 10.576 0.000 1.846) 10.736 6.306 ( -1.385 0.000 4.183) 4.407 6.467 ( 2.086 0.000 7.091) 7.391 6.595 ( 3.176 0.000 -8.739) 9.298 6.656 ( 2.569 0.000 2.334) 3.471 6.691 ( -0.906 0.000 -3.686) 3.796 6.859 ( -1.310 0.000 -8.104) 8.209 8.114 ( 4.631 0.000 -0.029) 4.631 8.125 ( 2.897 0.000 -0.330) 2.916 8.261 ( 1.239 0.000 4.752) 4.910 8.282 ( 2.831 0.000 -1.055) 3.022 8.293 ( 3.992 0.000 -0.642) 4.043 8.335 ( 0.839 0.000 0.830) 1.180 8.456 ( -2.209 0.000 5.258) 5.703 8.457 ( 0.566 0.000 2.696) 2.755 8.935 ( -4.911 0.000 -1.455) 5.123 8.973 ( -7.065 0.000 -2.770) 7.589 9.057 ( -7.257 0.000 -3.037) 7.867 9.091 ( -6.396 0.000 -2.322) 6.805 9.155 ( -6.610 0.000 1.554) 6.790 9.227 ( -5.166 0.000 -1.032) 5.268 9.351 ( -8.234 0.000 1.711) 8.410 9.408 ( -11.518 0.000 -0.856) 11.550 9.922 ( 3.638 0.000 1.654) 3.996 9.940 ( 1.851 0.000 7.037) 7.276 10.046 ( 5.207 0.000 2.813) 5.918 10.056 ( 2.254 0.000 -2.955) 3.716 10.058 ( 3.196 0.000 4.618) 5.616 10.110 ( -0.097 0.000 -3.048) 3.049 10.235 ( 4.492 0.000 -4.647) 6.463 10.337 ( -0.062 0.000 -7.153) 7.154 10.599 ( -5.303 0.000 -0.292) 5.311 10.673 ( -0.489 0.000 -3.372) 3.407 10.764 ( -7.855 0.000 5.359) 9.509 10.804 ( -5.420 0.000 2.133) 5.824 10.876 ( -0.334 0.000 -1.910) 1.939 10.926 ( -8.600 0.000 1.103) 8.671 10.968 ( -7.395 0.000 -3.776) 8.303 11.025 ( -10.630 0.000 -3.466) 11.180 11.805 ( 1.434 0.000 -1.462) 2.048 11.814 ( 0.043 0.000 -2.311) 2.311 11.949 ( -1.102 0.000 3.064) 3.257 12.005 ( 8.484 0.000 -0.287) 8.489 12.083 ( 1.616 0.000 1.569) 2.252 12.116 ( -4.391 0.000 -3.329) 5.510 12.175 ( 8.872 0.000 -4.877) 10.124 12.179 ( 1.507 0.000 -1.021) 1.821 12.342 ( -2.935 0.000 3.914) 4.892 12.379 ( 0.979 0.000 1.328) 1.650 12.385 ( -3.979 0.000 0.051) 3.980 12.459 ( 4.089 0.000 -2.032) 4.566 12.580 ( -3.884 0.000 4.989) 6.322 12.697 ( -3.906 0.000 0.233) 3.913 12.699 ( -3.104 0.000 -0.392) 3.129 12.815 ( -6.170 0.000 -4.647) 7.724 13.175 ( 10.656 0.000 11.972) 16.027 13.219 ( 11.405 0.000 10.289) 15.361 13.620 ( 8.610 0.000 -7.694) 11.547 13.629 ( 9.912 0.000 -8.452) 13.026 13.889 ( -10.178 0.000 11.118) 15.073 13.936 ( -8.308 0.000 7.341) 11.086 14.152 ( -4.500 0.000 -2.039) 4.940 14.224 ( -3.977 0.000 -4.122) 5.728 14.770 ( 9.789 0.000 -0.915) 9.832 14.771 ( 9.789 0.000 -0.671) 9.812 14.856 ( 8.540 0.000 2.335) 8.853 14.939 ( 1.670 0.000 -1.793) 2.450 14.982 ( 10.512 0.000 0.949) 10.554 15.047 ( 7.106 0.000 -2.079) 7.404 15.367 ( -0.380 0.000 4.283) 4.300 15.520 ( -7.057 0.000 -1.040) 7.133 15.875 ( 7.311 0.000 2.205) 7.637 15.893 ( 7.409 0.000 -0.970) 7.472 15.903 ( 1.902 0.000 -0.808) 2.067 16.035 ( 10.786 0.000 -4.551) 11.707 16.289 ( -3.553 0.000 2.140) 4.147 16.308 ( -2.094 0.000 -0.355) 2.124 16.309 ( -2.648 0.000 1.854) 3.232 16.655 ( -2.904 0.000 -15.009) 15.287 16.965 ( 3.015 0.000 0.710) 3.097 16.976 ( 3.869 0.000 0.034) 3.869 17.040 ( 1.919 0.000 1.969) 2.750 17.071 ( 3.719 0.000 -0.814) 3.807 17.084 ( -1.596 0.000 3.038) 3.431 17.107 ( 1.818 0.000 0.832) 1.999 17.144 ( -0.892 0.000 1.233) 1.522 17.253 ( -0.310 0.000 -2.526) 2.544 19.666 ( 8.193 0.000 1.382) 8.308 19.739 ( 5.846 0.000 -1.763) 6.106 19.928 ( 12.257 0.000 1.697) 12.374 20.035 ( 12.426 0.000 -3.375) 12.876 20.496 ( -17.851 0.000 0.888) 17.873 20.536 ( -17.886 0.000 -0.835) 17.906 20.850 ( -16.855 0.000 0.872) 16.877 20.890 ( -15.581 0.000 -0.762) 15.600 22.167 ( 18.645 0.000 0.132) 18.646 22.168 ( 18.429 0.000 0.293) 18.431 22.614 ( 15.293 0.000 1.404) 15.357 22.655 ( 14.831 0.000 -0.764) 14.850 23.036 ( -10.699 0.000 -0.580) 10.715 23.062 ( -9.657 0.000 -2.895) 10.082 23.346 ( -7.189 0.000 -0.016) 7.189 23.357 ( -7.827 0.000 -0.643) 7.853 26.700 ( 16.416 0.000 0.645) 16.429 26.732 ( 16.836 0.000 -0.747) 16.853 26.848 ( 18.667 0.000 5.833) 19.557 27.374 ( 16.204 0.000 -24.918) 29.723 27.919 ( -20.775 0.000 2.466) 20.921 27.995 ( -19.503 0.000 0.185) 19.504 28.324 ( -27.001 0.000 1.504) 27.043 28.364 ( -21.660 0.000 2.800) 21.840 29.497 ( 10.403 0.000 -0.260) 10.407 29.567 ( 13.559 0.000 -2.328) 13.757 29.694 ( 1.617 0.000 11.781) 11.892 29.869 ( -0.053 0.000 0.271) 0.276 30.121 ( 16.145 0.000 10.182) 19.087 30.279 ( 6.130 0.000 -0.332) 6.139 30.289 ( 8.352 0.000 6.438) 10.546 30.337 ( 7.691 0.000 -1.446) 7.826 30.387 ( 7.735 0.000 -2.804) 8.227 30.666 ( -0.196 0.000 -7.297) 7.300 30.816 ( -7.354 0.000 -1.391) 7.484 30.845 ( 0.450 0.000 -3.376) 3.405 30.980 ( 3.263 0.000 0.623) 3.322 31.038 ( -9.714 0.000 -2.073) 9.933 31.465 ( -14.899 0.000 15.267) 21.332 31.815 ( -1.285 0.000 -4.338) 4.525 31.949 ( 2.533 0.000 9.689) 10.014 31.966 ( 10.753 0.000 3.366) 11.268 32.184 ( 6.988 0.000 -1.133) 7.079 32.363 ( -0.180 0.000 6.907) 6.909 32.456 ( -7.557 0.000 -5.168) 9.155 32.706 ( -13.523 0.000 -8.684) 16.071 32.886 ( -11.849 0.000 1.593) 11.956 32.938 ( -8.012 0.000 -1.020) 8.077 35.265 ( 1.618 0.000 2.781) 3.217 35.305 ( -0.137 0.000 2.008) 2.012 35.404 ( -0.741 0.000 -3.881) 3.951 35.452 ( -1.758 0.000 -4.676) 4.996 35.563 ( 7.489 0.000 3.376) 8.215 35.627 ( 2.916 0.000 2.708) 3.980 35.743 ( -0.050 0.000 0.934) 0.935 35.752 ( -0.333 0.000 2.491) 2.513 35.861 ( 7.188 0.000 -6.674) 9.809 35.873 ( -0.190 0.000 -1.932) 1.941 35.959 ( -1.847 0.000 4.155) 4.547 36.239 ( -3.750 0.000 -6.363) 7.386 36.432 ( 15.850 0.000 5.705) 16.846 36.635 ( 19.466 0.000 -3.555) 19.788 37.543 ( -14.855 0.000 6.291) 16.133 37.861 ( -17.592 0.000 -6.858) 18.882 ======================= Grid point 38 (16/36) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 11.111 0.000 19.428) 22.380 1.570 ( 21.902 0.000 5.655) 22.620 1.729 ( -6.399 0.000 10.259) 12.091 1.836 ( 6.196 0.000 -2.572) 6.708 1.916 ( -6.968 0.000 -3.670) 7.876 1.926 ( -2.908 0.000 0.974) 3.066 2.024 ( 3.151 0.000 -2.447) 3.990 2.078 ( -0.132 0.000 -2.219) 2.222 2.219 ( 2.108 0.000 0.629) 2.200 2.224 ( 1.231 0.000 1.353) 1.829 2.251 ( -0.210 0.000 0.167) 0.268 2.290 ( 6.501 0.000 4.049) 7.659 2.318 ( -5.961 0.000 -1.551) 6.160 2.398 ( 6.935 0.000 -1.174) 7.033 2.503 ( -8.260 0.000 -3.794) 9.090 2.537 ( -2.052 0.000 -1.114) 2.335 2.634 ( 8.727 0.000 3.649) 9.459 2.752 ( 8.908 0.000 5.104) 10.267 2.884 ( -9.128 0.000 3.566) 9.800 2.968 ( -3.792 0.000 3.118) 4.909 2.980 ( 4.497 0.000 1.209) 4.656 2.988 ( 14.699 0.000 -3.100) 15.023 3.092 ( 1.825 0.000 5.507) 5.801 3.094 ( 9.282 0.000 -1.568) 9.413 3.209 ( 4.292 0.000 -9.178) 10.133 3.235 ( -4.511 0.000 1.909) 4.898 3.295 ( -4.688 0.000 -2.193) 5.175 3.341 ( -5.045 0.000 -2.128) 5.476 3.416 ( 6.760 0.000 -3.257) 7.504 3.416 ( -0.393 0.000 -2.693) 2.722 3.444 ( -1.671 0.000 -1.669) 2.362 3.511 ( 4.448 0.000 -2.385) 5.047 3.584 ( -5.102 0.000 -6.315) 8.118 3.594 ( 7.201 0.000 -3.027) 7.811 3.616 ( 0.518 0.000 -3.276) 3.317 3.646 ( 3.642 0.000 -1.554) 3.959 3.790 ( 8.573 0.000 -1.514) 8.706 3.838 ( -0.071 0.000 5.293) 5.294 3.864 ( 1.009 0.000 -1.067) 1.468 3.905 ( -6.294 0.000 10.183) 11.971 4.004 ( 3.085 0.000 -3.739) 4.847 4.047 ( -1.448 0.000 -6.274) 6.439 4.131 ( -3.375 0.000 -0.073) 3.376 4.162 ( -4.459 0.000 -4.067) 6.035 4.366 ( 3.844 0.000 3.063) 4.915 4.426 ( 0.816 0.000 4.615) 4.686 4.448 ( -3.080 0.000 3.238) 4.469 4.483 ( -3.068 0.000 3.294) 4.501 4.532 ( 2.770 0.000 -2.545) 3.762 4.578 ( -2.970 0.000 2.817) 4.093 4.758 ( 3.880 0.000 -6.084) 7.216 4.834 ( 3.254 0.000 11.064) 11.532 4.861 ( -4.842 0.000 -6.200) 7.866 4.944 ( -6.741 0.000 12.933) 14.584 4.992 ( 1.124 0.000 3.638) 3.808 5.069 ( -4.967 0.000 -0.194) 4.971 5.289 ( 0.127 0.000 3.795) 3.797 5.365 ( -8.443 0.000 5.207) 9.919 5.433 ( 1.656 0.000 0.165) 1.664 5.516 ( -7.538 0.000 -0.876) 7.589 5.684 ( 4.679 0.000 -5.027) 6.868 5.781 ( -3.831 0.000 -6.714) 7.730 5.880 ( 1.965 0.000 -12.792) 12.942 5.958 ( -5.032 0.000 -10.560) 11.698 6.222 ( 4.368 0.000 11.843) 12.622 6.285 ( -1.638 0.000 8.206) 8.368 6.490 ( 11.451 0.000 -0.914) 11.487 6.566 ( 6.654 0.000 1.864) 6.910 6.632 ( -1.968 0.000 -6.923) 7.197 6.665 ( -2.205 0.000 1.479) 2.655 6.684 ( 2.468 0.000 -3.726) 4.469 6.784 ( -5.589 0.000 -5.790) 8.048 8.201 ( 4.272 0.000 0.687) 4.327 8.217 ( 4.817 0.000 1.433) 5.025 8.275 ( -0.544 0.000 2.291) 2.354 8.281 ( -3.181 0.000 1.680) 3.598 8.340 ( 2.738 0.000 1.164) 2.975 8.397 ( 3.471 0.000 -0.907) 3.588 8.398 ( -3.139 0.000 2.427) 3.968 8.451 ( -1.615 0.000 -0.007) 1.615 8.873 ( -0.654 0.000 -0.183) 0.679 8.885 ( -0.947 0.000 -0.899) 1.306 8.922 ( -5.259 0.000 -1.100) 5.373 8.939 ( -6.104 0.000 -0.497) 6.124 9.106 ( 1.185 0.000 0.101) 1.189 9.149 ( -1.276 0.000 -1.232) 1.774 9.197 ( -5.805 0.000 -0.445) 5.822 9.201 ( -7.981 0.000 -0.396) 7.991 9.981 ( 2.593 0.000 2.136) 3.359 9.995 ( 1.785 0.000 3.174) 3.641 10.088 ( 1.204 0.000 -2.648) 2.909 10.101 ( 2.040 0.000 4.593) 5.025 10.107 ( -0.498 0.000 -1.467) 1.549 10.126 ( 0.541 0.000 2.165) 2.232 10.315 ( 2.787 0.000 -5.459) 6.130 10.341 ( -0.026 0.000 -5.785) 5.786 10.553 ( 1.141 0.000 3.090) 3.294 10.623 ( -5.087 0.000 6.661) 8.381 10.694 ( 2.871 0.000 -3.387) 4.440 10.722 ( -1.850 0.000 0.636) 1.956 10.770 ( -6.041 0.000 0.844) 6.100 10.804 ( -7.975 0.000 -3.713) 8.797 10.860 ( -0.705 0.000 -4.038) 4.100 10.880 ( -3.026 0.000 -4.041) 5.049 11.842 ( 2.409 0.000 0.058) 2.409 11.861 ( 4.567 0.000 -1.782) 4.902 11.899 ( -3.006 0.000 2.684) 4.030 11.983 ( -6.895 0.000 -1.862) 7.142 12.155 ( 4.842 0.000 0.129) 4.844 12.171 ( 6.772 0.000 -0.202) 6.775 12.258 ( -4.348 0.000 -1.679) 4.661 12.275 ( -3.689 0.000 1.466) 3.970 12.288 ( 6.904 0.000 0.951) 6.970 12.396 ( -1.395 0.000 2.878) 3.198 12.415 ( 9.778 0.000 -2.330) 10.052 12.509 ( -0.749 0.000 3.508) 3.587 12.559 ( 5.345 0.000 -3.250) 6.256 12.589 ( -6.171 0.000 0.722) 6.213 12.603 ( -7.108 0.000 -0.632) 7.136 12.676 ( -6.473 0.000 -4.761) 8.035 13.407 ( 12.088 0.000 11.887) 16.953 13.470 ( 12.895 0.000 8.898) 15.667 13.658 ( -12.231 0.000 11.653) 16.893 13.727 ( -11.917 0.000 8.174) 14.451 13.810 ( 9.899 0.000 -6.426) 11.802 13.849 ( 10.892 0.000 -8.149) 13.603 14.016 ( -8.292 0.000 -4.362) 9.369 14.078 ( -9.594 0.000 -6.630) 11.662 14.920 ( 4.512 0.000 0.064) 4.512 14.924 ( 5.219 0.000 -0.178) 5.222 14.959 ( 0.225 0.000 0.451) 0.504 14.965 ( 1.586 0.000 0.085) 1.589 15.165 ( 7.484 0.000 0.386) 7.494 15.196 ( 7.708 0.000 -0.786) 7.748 15.298 ( -5.562 0.000 2.090) 5.942 15.358 ( -8.220 0.000 -0.326) 8.226 16.008 ( 7.877 0.000 0.843) 7.922 16.055 ( 8.802 0.000 3.257) 9.386 16.070 ( 9.075 0.000 -1.718) 9.236 16.173 ( -7.324 0.000 1.408) 7.458 16.219 ( -6.489 0.000 3.927) 7.585 16.229 ( -5.999 0.000 -1.429) 6.167 16.273 ( 12.224 0.000 -6.351) 13.776 16.509 ( -10.372 0.000 -9.485) 14.055 17.017 ( 1.936 0.000 1.247) 2.303 17.040 ( 2.312 0.000 -0.216) 2.322 17.045 ( -0.952 0.000 1.572) 1.838 17.072 ( -0.979 0.000 -0.162) 0.992 17.092 ( 1.781 0.000 3.854) 4.245 17.124 ( -1.226 0.000 2.525) 2.807 17.194 ( 3.686 0.000 -1.258) 3.895 17.241 ( -1.164 0.000 -2.169) 2.462 19.874 ( 12.224 0.000 0.800) 12.250 19.914 ( 11.437 0.000 -0.951) 11.477 20.155 ( -14.866 0.000 0.683) 14.882 20.192 ( -15.375 0.000 -0.885) 15.400 20.208 ( 14.146 0.000 1.783) 14.258 20.303 ( 13.355 0.000 -2.435) 13.575 20.518 ( -15.870 0.000 1.356) 15.927 20.586 ( -14.415 0.000 -1.567) 14.499 22.516 ( 15.616 0.000 -0.077) 15.616 22.524 ( 16.503 0.000 -0.451) 16.509 22.798 ( -12.057 0.000 -0.392) 12.063 22.828 ( -13.278 0.000 -1.826) 13.403 22.910 ( 13.609 0.000 1.030) 13.648 22.942 ( 12.296 0.000 -0.261) 12.299 23.163 ( -11.160 0.000 0.170) 11.162 23.171 ( -10.002 0.000 -0.160) 10.003 27.080 ( 20.305 0.000 0.991) 20.330 27.109 ( 19.848 0.000 -0.368) 19.851 27.255 ( 21.332 0.000 5.539) 22.040 27.497 ( -14.081 0.000 -2.670) 14.332 27.504 ( -19.796 0.000 2.905) 20.008 27.740 ( 6.103 0.000 -11.304) 12.846 27.762 ( -27.062 0.000 3.542) 27.293 27.991 ( -15.408 0.000 -5.962) 16.521 29.662 ( 5.667 0.000 3.129) 6.473 29.720 ( -0.175 0.000 6.130) 6.133 29.778 ( 7.120 0.000 -2.024) 7.402 29.861 ( -1.536 0.000 -1.255) 1.984 30.385 ( 9.129 0.000 2.707) 9.522 30.413 ( 6.915 0.000 0.515) 6.934 30.464 ( 4.758 0.000 6.192) 7.808 30.496 ( 7.553 0.000 -0.662) 7.582 30.546 ( 1.756 0.000 -1.769) 2.493 30.569 ( -0.386 0.000 -0.454) 0.596 30.643 ( -8.201 0.000 1.358) 8.313 30.726 ( -7.908 0.000 -1.802) 8.110 30.936 ( 2.141 0.000 4.362) 4.859 31.145 ( -15.208 0.000 12.294) 19.555 31.283 ( 18.878 0.000 -9.776) 21.259 31.645 ( -14.988 0.000 -9.257) 17.616 32.053 ( 6.159 0.000 3.969) 7.327 32.166 ( 8.225 0.000 0.299) 8.231 32.172 ( -5.097 0.000 1.807) 5.408 32.304 ( -6.248 0.000 -4.746) 7.846 32.517 ( 11.547 0.000 0.730) 11.570 32.574 ( 0.554 0.000 -2.295) 2.361 32.683 ( -8.600 0.000 2.561) 8.973 32.747 ( -10.653 0.000 -0.854) 10.687 35.289 ( 0.812 0.000 2.042) 2.197 35.300 ( -0.363 0.000 2.014) 2.047 35.399 ( 0.336 0.000 -3.034) 3.053 35.418 ( -1.408 0.000 -3.212) 3.507 35.689 ( 4.654 0.000 2.782) 5.422 35.693 ( 3.036 0.000 2.108) 3.696 35.738 ( -1.338 0.000 2.126) 2.512 35.744 ( -0.791 0.000 2.252) 2.387 35.878 ( 0.932 0.000 -0.735) 1.187 35.914 ( -2.346 0.000 2.056) 3.120 35.999 ( 6.532 0.000 -6.182) 8.994 36.129 ( -6.213 0.000 -6.423) 8.936 36.799 ( 19.332 0.000 6.763) 20.481 37.045 ( 20.803 0.000 -4.427) 21.269 37.193 ( -18.981 0.000 6.609) 20.099 37.468 ( -20.574 0.000 -5.421) 21.277 ======================= Grid point 42 (17/36) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 0.000 17.276 14.594) 22.615 0.650 ( 0.000 12.319 20.560) 23.969 1.336 ( 0.000 4.965 -19.432) 20.057 1.383 ( 0.000 22.263 42.070) 47.598 1.521 ( 0.000 1.828 -19.695) 19.780 1.583 ( 0.000 -6.276 7.043) 9.434 1.899 ( 0.000 -8.690 1.344) 8.793 1.945 ( 0.000 -6.164 6.707) 9.109 1.953 ( 0.000 -2.858 -8.984) 9.428 2.110 ( 0.000 -12.663 1.672) 12.773 2.119 ( 0.000 5.718 3.131) 6.519 2.168 ( 0.000 3.239 1.067) 3.410 2.173 ( 0.000 2.217 9.057) 9.324 2.263 ( 0.000 -0.776 1.038) 1.296 2.406 ( 0.000 1.343 -1.319) 1.882 2.487 ( 0.000 2.177 6.787) 7.128 2.610 ( 0.000 3.026 -4.326) 5.279 2.620 ( 0.000 1.208 4.868) 5.016 2.646 ( 0.000 -9.049 -1.310) 9.143 2.704 ( 0.000 -1.069 -2.627) 2.836 2.771 ( 0.000 1.128 -7.231) 7.318 2.807 ( 0.000 -0.782 -0.152) 0.797 2.885 ( 0.000 -4.505 -1.373) 4.710 2.904 ( 0.000 -4.599 0.510) 4.628 2.945 ( 0.000 -7.373 -0.201) 7.376 2.964 ( 0.000 -1.592 -6.123) 6.326 3.024 ( 0.000 3.244 -2.823) 4.301 3.121 ( 0.000 -2.809 5.416) 6.101 3.143 ( 0.000 -6.009 -7.944) 9.961 3.293 ( 0.000 3.536 1.483) 3.835 3.375 ( 0.000 -1.518 2.943) 3.311 3.490 ( 0.000 -3.985 3.624) 5.386 3.501 ( 0.000 -4.801 -0.508) 4.828 3.588 ( 0.000 -0.688 3.972) 4.031 3.600 ( 0.000 3.156 -5.715) 6.529 3.680 ( 0.000 2.062 -2.176) 2.998 3.758 ( 0.000 0.903 -6.944) 7.002 3.814 ( 0.000 0.883 -2.751) 2.889 3.825 ( 0.000 2.798 4.478) 5.280 3.975 ( 0.000 -1.858 4.144) 4.542 4.044 ( 0.000 -3.791 -2.277) 4.422 4.198 ( 0.000 3.167 2.621) 4.111 4.261 ( 0.000 4.372 -10.960) 11.800 4.330 ( 0.000 -0.358 0.225) 0.423 4.421 ( 0.000 -3.014 4.949) 5.795 4.478 ( 0.000 3.900 3.987) 5.577 4.492 ( 0.000 4.708 4.360) 6.417 4.655 ( 0.000 -3.520 -4.139) 5.434 4.762 ( 0.000 2.927 12.076) 12.425 4.783 ( 0.000 6.168 -0.374) 6.179 4.839 ( 0.000 -0.497 4.520) 4.547 4.872 ( 0.000 1.355 -5.325) 5.495 5.068 ( 0.000 1.553 1.614) 2.240 5.080 ( 0.000 8.213 -4.081) 9.171 5.131 ( 0.000 4.440 -2.118) 4.920 5.211 ( 0.000 3.982 -9.299) 10.116 5.273 ( 0.000 -0.586 -3.711) 3.757 5.395 ( 0.000 -5.031 6.530) 8.243 5.491 ( 0.000 -0.385 1.413) 1.465 5.695 ( 0.000 0.799 9.426) 9.460 5.718 ( 0.000 -0.587 -13.249) 13.262 5.957 ( 0.000 -2.571 9.181) 9.534 6.136 ( 0.000 -3.901 -0.834) 3.989 6.171 ( 0.000 -3.813 -4.052) 5.564 6.211 ( 0.000 2.073 0.652) 2.173 6.302 ( 0.000 0.502 3.181) 3.220 6.359 ( 0.000 4.338 3.244) 5.417 6.406 ( 0.000 -3.371 -10.948) 11.456 6.424 ( 0.000 -10.220 5.855) 11.778 6.592 ( 0.000 2.306 -0.893) 2.472 6.751 ( 0.000 0.504 -3.056) 3.097 6.767 ( 0.000 0.265 -10.569) 10.572 8.055 ( 0.000 1.352 -2.627) 2.955 8.101 ( 0.000 0.628 -0.121) 0.640 8.126 ( 0.000 0.766 -3.921) 3.996 8.188 ( 0.000 -0.755 -4.800) 4.859 8.261 ( 0.000 1.731 4.633) 4.946 8.309 ( 0.000 1.012 1.737) 2.010 8.428 ( 0.000 -2.601 6.092) 6.624 8.465 ( 0.000 -2.172 7.073) 7.399 9.120 ( 0.000 0.576 -2.433) 2.500 9.165 ( 0.000 -0.436 -1.586) 1.645 9.198 ( 0.000 -0.577 -5.207) 5.239 9.224 ( 0.000 -1.269 -5.278) 5.428 9.346 ( 0.000 1.336 -0.390) 1.392 9.399 ( 0.000 2.301 -1.596) 2.800 9.520 ( 0.000 -1.768 3.767) 4.162 9.648 ( 0.000 -4.317 -2.401) 4.940 9.834 ( 0.000 2.169 1.969) 2.930 9.879 ( 0.000 0.900 3.214) 3.338 9.945 ( 0.000 -1.373 4.677) 4.875 9.973 ( 0.000 -0.943 5.350) 5.432 10.035 ( 0.000 2.293 1.785) 2.906 10.044 ( 0.000 1.892 -2.835) 3.409 10.224 ( 0.000 0.162 -3.819) 3.823 10.345 ( 0.000 -2.010 -8.366) 8.604 10.740 ( 0.000 1.625 1.222) 2.033 10.837 ( 0.000 1.177 -3.121) 3.335 10.850 ( 0.000 -0.292 0.575) 0.645 10.884 ( 0.000 0.038 -1.615) 1.615 11.019 ( 0.000 -0.109 4.367) 4.369 11.144 ( 0.000 -3.153 1.680) 3.573 11.241 ( 0.000 -0.210 -4.863) 4.867 11.244 ( 0.000 -1.588 -3.300) 3.662 11.775 ( 0.000 -0.150 1.999) 2.004 11.790 ( 0.000 0.224 -0.768) 0.800 11.803 ( 0.000 0.634 -1.542) 1.667 11.870 ( 0.000 -0.128 -2.015) 2.019 12.090 ( 0.000 -1.985 5.254) 5.617 12.156 ( 0.000 0.575 -1.197) 1.328 12.203 ( 0.000 -1.098 -3.194) 3.378 12.266 ( 0.000 1.677 -4.409) 4.717 12.367 ( 0.000 -2.774 1.102) 2.985 12.409 ( 0.000 -1.563 5.668) 5.880 12.423 ( 0.000 0.387 -0.843) 0.927 12.461 ( 0.000 -1.601 0.743) 1.765 12.648 ( 0.000 1.230 6.477) 6.593 12.744 ( 0.000 -1.503 2.199) 2.664 12.788 ( 0.000 1.856 -0.511) 1.925 12.901 ( 0.000 0.634 10.924) 10.942 12.922 ( 0.000 -0.989 0.644) 1.180 12.954 ( 0.000 -1.138 7.294) 7.382 13.380 ( 0.000 0.152 -9.786) 9.787 13.433 ( 0.000 -1.254 -9.322) 9.406 14.068 ( 0.000 1.861 7.051) 7.292 14.191 ( 0.000 -0.239 6.749) 6.753 14.246 ( 0.000 1.886 -0.825) 2.059 14.324 ( 0.000 -1.206 2.214) 2.522 14.403 ( 0.000 -0.739 2.455) 2.563 14.430 ( 0.000 -0.120 0.028) 0.123 14.453 ( 0.000 0.553 0.031) 0.554 14.501 ( 0.000 -0.528 -1.267) 1.373 14.674 ( 0.000 3.564 6.072) 7.041 14.991 ( 0.000 3.444 -6.191) 7.084 15.165 ( 0.000 -15.469 14.868) 21.456 15.251 ( 0.000 -2.227 1.524) 2.699 15.731 ( 0.000 1.014 -0.563) 1.160 15.784 ( 0.000 -0.248 -2.434) 2.447 15.810 ( 0.000 -5.856 6.677) 8.881 15.977 ( 0.000 -5.284 -1.552) 5.507 16.263 ( 0.000 1.550 1.425) 2.106 16.308 ( 0.000 0.020 -0.525) 0.525 16.344 ( 0.000 -0.405 0.524) 0.662 16.350 ( 0.000 0.108 0.488) 0.500 16.859 ( 0.000 0.420 0.923) 1.014 16.860 ( 0.000 0.334 0.219) 0.400 16.874 ( 0.000 1.374 -0.378) 1.425 16.898 ( 0.000 0.878 -0.483) 1.002 17.144 ( 0.000 0.232 2.345) 2.357 17.148 ( 0.000 1.121 -0.060) 1.122 17.161 ( 0.000 0.048 -0.489) 0.491 17.256 ( 0.000 -1.160 -2.472) 2.731 19.508 ( 0.000 0.590 2.831) 2.892 19.627 ( 0.000 -2.902 1.687) 3.357 19.659 ( 0.000 1.064 -3.658) 3.809 19.725 ( 0.000 -0.950 -3.209) 3.347 21.180 ( 0.000 1.542 0.456) 1.608 21.202 ( 0.000 1.272 -0.455) 1.351 21.343 ( 0.000 -2.134 0.317) 2.157 21.348 ( 0.000 -1.989 0.259) 2.006 21.592 ( 0.000 7.768 0.478) 7.783 21.741 ( 0.000 13.042 -11.244) 17.220 22.086 ( 0.000 -3.974 1.285) 4.177 22.152 ( 0.000 -2.890 -1.554) 3.281 23.327 ( 0.000 1.259 -0.364) 1.311 23.339 ( 0.000 0.605 -0.412) 0.732 23.478 ( 0.000 -2.158 -0.063) 2.159 23.493 ( 0.000 -1.741 -0.779) 1.908 26.346 ( 0.000 0.126 0.066) 0.143 26.349 ( 0.000 0.103 -0.001) 0.104 26.350 ( 0.000 0.039 0.182) 0.187 26.357 ( 0.000 -0.096 -0.109) 0.145 28.671 ( 0.000 2.700 7.124) 7.618 28.694 ( 0.000 2.128 3.224) 3.863 28.948 ( 0.000 0.531 -5.038) 5.066 28.999 ( 0.000 2.253 1.944) 2.976 29.009 ( 0.000 -0.433 -12.151) 12.159 29.115 ( 0.000 9.648 -0.512) 9.662 29.632 ( 0.000 -2.559 17.279) 17.467 29.930 ( 0.000 2.806 4.340) 5.168 30.039 ( 0.000 -35.817 29.496) 46.399 30.098 ( 0.000 -2.885 4.661) 5.482 30.139 ( 0.000 -0.650 -0.596) 0.882 30.153 ( 0.000 -1.205 -1.028) 1.583 30.181 ( 0.000 3.748 -4.077) 5.538 30.214 ( 0.000 0.412 -1.424) 1.482 30.419 ( 0.000 -13.609 11.576) 17.866 30.804 ( 0.000 -4.849 -2.984) 5.693 31.351 ( 0.000 1.525 0.359) 1.566 31.385 ( 0.000 -8.082 11.178) 13.793 31.459 ( 0.000 -1.465 -3.716) 3.994 31.626 ( 0.000 2.065 4.969) 5.381 31.658 ( 0.000 -1.806 -2.607) 3.171 31.716 ( 0.000 -21.067 31.242) 37.682 31.779 ( 0.000 -2.857 -1.374) 3.170 32.498 ( 0.000 7.052 2.380) 7.443 32.624 ( 0.000 2.339 -2.876) 3.707 32.777 ( 0.000 -39.707 -13.311) 41.879 32.990 ( 0.000 -12.192 2.430) 12.431 33.067 ( 0.000 -9.025 -1.775) 9.198 35.166 ( 0.000 1.719 2.484) 3.021 35.305 ( 0.000 1.696 -3.811) 4.172 35.311 ( 0.000 -0.334 1.285) 1.327 35.383 ( 0.000 3.638 4.264) 5.605 35.438 ( 0.000 -0.103 -4.760) 4.761 35.614 ( 0.000 8.083 -6.656) 10.471 35.800 ( 0.000 -4.671 5.144) 6.948 35.806 ( 0.000 1.659 3.968) 4.301 35.887 ( 0.000 -0.569 3.863) 3.905 35.962 ( 0.000 2.639 -2.774) 3.829 36.050 ( 0.000 -2.562 -1.149) 2.808 36.234 ( 0.000 35.674 18.283) 40.086 36.300 ( 0.000 -4.311 -10.554) 11.401 37.503 ( 0.000 45.161 -55.359) 71.444 37.650 ( 0.000 -8.815 14.991) 17.391 38.233 ( 0.000 -2.644 -11.215) 11.523 ======================= Grid point 43 (18/36) ======================= q-point: ( 0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 13.641 9.000 16.135) 22.965 1.045 ( 22.707 10.756 12.992) 28.285 1.452 ( 7.939 1.714 -10.312) 13.126 1.542 ( 19.102 13.591 27.602) 36.214 1.587 ( 6.699 4.518 -16.057) 17.975 1.763 ( 15.400 -4.614 4.033) 16.575 1.868 ( -2.456 -9.644 1.958) 10.142 1.934 ( 0.870 -7.186 -1.320) 7.358 2.038 ( 8.949 0.898 4.806) 10.198 2.068 ( -3.028 -0.902 1.239) 3.393 2.116 ( 0.035 3.410 0.019) 3.410 2.165 ( 4.166 -0.864 0.414) 4.274 2.286 ( 3.704 0.626 5.639) 6.776 2.361 ( 7.941 -4.130 -0.226) 8.953 2.414 ( 2.189 3.648 2.345) 4.858 2.499 ( -0.599 -3.046 1.253) 3.348 2.546 ( -2.797 3.106 6.032) 7.339 2.617 ( 3.834 1.708 -4.136) 5.892 2.663 ( -2.800 -2.172 1.472) 3.837 2.724 ( -2.576 -2.873 -4.311) 5.786 2.779 ( 5.825 -6.300 -4.156) 9.533 2.881 ( 0.235 -0.519 0.018) 0.570 2.905 ( 0.279 -6.033 -2.310) 6.466 2.953 ( 7.525 1.175 3.365) 8.326 2.970 ( 3.571 -0.345 -4.793) 5.987 3.044 ( 7.046 -3.019 -4.862) 9.078 3.141 ( 8.048 0.561 1.658) 8.237 3.209 ( 7.717 -0.528 -4.323) 8.862 3.234 ( 9.385 -8.291 -0.518) 12.533 3.300 ( 1.550 2.508 1.055) 3.131 3.388 ( 2.825 0.266 1.695) 3.305 3.455 ( -2.834 -2.130 2.182) 4.163 3.472 ( -1.520 -4.831 3.229) 6.006 3.567 ( 1.586 0.302 -3.530) 3.882 3.645 ( 0.120 -0.235 -2.525) 2.539 3.701 ( 1.706 0.908 -2.784) 3.389 3.746 ( -2.614 0.785 -2.653) 3.806 3.771 ( -3.443 0.969 -4.177) 5.499 3.801 ( -2.178 1.902 0.913) 3.033 3.952 ( -2.424 -3.441 0.760) 4.278 4.075 ( 1.684 -1.135 -0.126) 2.034 4.140 ( -4.516 3.103 1.843) 5.781 4.221 ( -3.784 0.454 -4.559) 5.943 4.321 ( -0.298 1.303 -2.595) 2.919 4.383 ( -3.980 -2.871 3.336) 5.934 4.445 ( -2.821 2.517 2.949) 4.795 4.489 ( 0.383 5.258 1.142) 5.394 4.633 ( -2.152 -2.739 -3.915) 5.240 4.715 ( -3.400 1.875 8.156) 9.033 4.748 ( -2.794 4.976 4.959) 7.561 4.829 ( -3.684 2.770 -2.892) 5.442 4.893 ( -0.074 -0.972 0.192) 0.994 5.045 ( -2.856 4.773 -2.478) 6.089 5.066 ( -0.785 -0.009 2.036) 2.182 5.121 ( -3.105 0.197 3.578) 4.741 5.207 ( -2.154 3.984 -2.486) 5.167 5.235 ( 2.147 5.228 -4.407) 7.166 5.408 ( 0.508 -3.160 1.678) 3.614 5.532 ( 4.597 -1.492 6.263) 7.911 5.668 ( -1.083 0.537 3.038) 3.269 5.704 ( -0.137 -4.404 -8.653) 9.711 5.946 ( -8.095 0.172 1.618) 8.257 6.005 ( -3.820 -2.387 1.931) 4.901 6.061 ( -6.096 -0.883 -2.300) 6.575 6.177 ( -1.307 2.466 1.482) 3.160 6.248 ( -6.175 0.637 -4.104) 7.442 6.327 ( -0.739 -0.527 2.147) 2.331 6.423 ( 1.531 0.266 10.853) 10.964 6.474 ( 3.240 -4.525 -5.539) 7.852 6.622 ( 2.738 1.724 -0.548) 3.282 6.734 ( -0.245 1.758 -3.838) 4.228 6.830 ( 3.251 -0.440 -8.829) 9.418 8.065 ( 1.298 1.367 -1.677) 2.523 8.102 ( 1.134 1.348 -1.444) 2.278 8.186 ( 4.258 -0.152 -1.766) 4.613 8.211 ( 2.109 -1.332 -3.298) 4.135 8.267 ( 0.765 1.976 4.860) 5.301 8.321 ( 1.067 0.709 1.900) 2.292 8.432 ( 0.308 -1.979 5.196) 5.568 8.459 ( -0.527 -2.201 6.486) 6.870 9.059 ( -5.127 1.111 -2.413) 5.775 9.115 ( -5.367 -0.544 -2.698) 6.031 9.135 ( -4.755 -1.777 -2.759) 5.777 9.189 ( -3.819 -1.226 -4.998) 6.409 9.311 ( -3.888 0.917 -0.367) 4.011 9.339 ( -5.600 2.151 -0.926) 6.070 9.468 ( -4.936 -1.937 3.724) 6.479 9.577 ( -7.291 -3.700 -1.866) 8.386 9.853 ( 2.672 1.117 3.106) 4.246 9.916 ( 2.919 0.629 2.796) 4.091 9.949 ( 0.485 -0.994 6.584) 6.677 10.002 ( 1.871 -1.277 6.273) 6.669 10.032 ( 1.379 2.211 -2.392) 3.537 10.091 ( 3.191 0.932 -5.194) 6.167 10.202 ( -1.242 0.714 -2.900) 3.235 10.332 ( -0.947 -1.774 -7.846) 8.099 10.708 ( -2.475 1.192 -0.569) 2.806 10.768 ( -5.645 2.399 -2.681) 6.694 10.855 ( -0.212 -1.140 0.291) 1.195 10.863 ( -2.100 -0.177 -0.222) 2.119 10.952 ( -6.232 0.502 4.325) 7.602 11.073 ( -6.225 -1.934 1.484) 6.685 11.129 ( -7.227 0.607 -4.092) 8.328 11.205 ( -6.680 -1.242 -4.354) 8.070 11.779 ( 1.293 0.447 0.757) 1.563 11.848 ( 1.637 0.810 -1.161) 2.164 11.860 ( 3.490 0.112 -1.823) 3.939 11.885 ( 5.429 -0.369 -3.077) 6.251 12.066 ( -0.890 -1.915 4.219) 4.717 12.107 ( -2.862 0.963 -0.204) 3.026 12.148 ( -3.118 -0.871 -2.042) 3.827 12.251 ( -2.572 0.898 -4.362) 5.143 12.368 ( 0.395 -2.442 0.959) 2.653 12.377 ( -1.510 -0.102 2.258) 2.719 12.389 ( -2.120 -0.920 2.107) 3.127 12.453 ( -1.519 -0.580 0.145) 1.633 12.647 ( -0.691 1.285 5.444) 5.636 12.730 ( -1.385 -1.295 1.413) 2.365 12.767 ( -1.898 1.740 -0.584) 2.640 12.894 ( -2.671 -1.109 -3.530) 4.563 12.988 ( 7.602 0.372 10.880) 13.278 13.024 ( 6.943 -0.618 11.443) 13.398 13.448 ( 6.440 -0.101 -9.260) 11.280 13.481 ( 4.738 -0.929 -8.759) 10.001 14.049 ( -2.920 1.087 7.598) 8.212 14.085 ( -7.634 0.306 10.417) 12.919 14.221 ( -0.820 1.903 1.333) 2.464 14.254 ( 0.520 1.031 -1.197) 1.663 14.556 ( 12.783 2.052 -1.150) 12.997 14.567 ( 10.146 0.773 -0.746) 10.203 14.669 ( 13.915 -1.402 2.090) 14.140 14.738 ( 6.560 3.736 5.066) 9.091 14.848 ( 12.806 -3.289 -7.703) 15.302 14.987 ( -0.316 3.806 -5.170) 6.427 15.289 ( 3.051 -2.975 2.384) 4.883 15.368 ( 12.540 -16.627 1.192) 20.860 15.763 ( 3.535 0.648 0.404) 3.617 15.815 ( 1.488 -1.437 2.589) 3.314 15.848 ( 5.739 -1.060 -2.450) 6.330 15.923 ( -3.825 -3.346 -1.369) 5.263 16.304 ( -0.299 -0.283 0.448) 0.609 16.332 ( -0.319 -0.912 -0.241) 0.996 16.342 ( -0.475 0.121 0.537) 0.727 16.418 ( 10.648 -8.399 -4.698) 14.353 16.900 ( 3.526 0.422 0.724) 3.625 16.910 ( 2.688 0.578 0.497) 2.794 16.935 ( 6.072 -0.513 0.162) 6.096 16.936 ( 3.779 -0.106 0.603) 3.829 17.127 ( -1.383 0.499 1.537) 2.126 17.139 ( -0.715 1.503 0.277) 1.688 17.161 ( -0.149 0.141 0.112) 0.234 17.251 ( -0.315 -1.015 -2.429) 2.651 19.549 ( 4.047 0.639 2.309) 4.703 19.674 ( 1.553 0.548 -3.108) 3.517 19.689 ( 6.187 -3.406 1.320) 7.185 19.753 ( 4.484 -3.486 -1.448) 5.861 20.925 ( -18.501 3.672 0.013) 18.862 20.941 ( -17.898 2.927 -0.460) 18.142 21.156 ( -15.265 -2.560 0.370) 15.482 21.170 ( -14.597 -2.847 -0.169) 14.873 21.850 ( 18.086 6.200 0.761) 19.134 21.941 ( 15.101 10.666 -4.531) 19.035 22.268 ( 14.439 -3.595 1.359) 14.942 22.326 ( 14.009 -2.618 -1.338) 14.315 23.251 ( -6.808 2.034 -1.241) 7.213 23.255 ( -6.839 2.120 -1.266) 7.271 23.435 ( -4.073 -2.297 -0.013) 4.676 23.454 ( -3.948 -2.019 -1.027) 4.552 26.441 ( 9.364 0.447 0.460) 9.386 26.462 ( 10.966 1.087 -0.491) 11.030 26.499 ( 13.065 -0.908 2.167) 13.274 26.763 ( 28.383 -10.082 -16.393) 34.292 28.384 ( -20.351 3.389 2.101) 20.738 28.411 ( -19.166 3.279 1.346) 19.491 28.722 ( -19.818 -5.809 3.682) 20.977 28.764 ( -18.811 -3.794 1.158) 19.225 29.290 ( 15.681 4.760 -1.839) 16.490 29.362 ( 16.606 8.473 -2.062) 18.756 29.700 ( 5.188 -0.319 15.751) 16.586 29.863 ( 0.598 -1.944 18.413) 18.525 29.933 ( 0.517 4.019 4.707) 6.211 30.148 ( 4.756 -0.699 3.372) 5.872 30.186 ( 3.891 -0.182 -1.458) 4.159 30.199 ( 5.173 -0.349 -2.028) 5.567 30.246 ( 4.300 -0.442 -3.402) 5.501 30.416 ( 11.962 -6.509 -9.654) 16.693 30.639 ( 10.216 -19.188 7.601) 23.028 30.836 ( 2.996 -5.161 -2.736) 6.565 31.143 ( -11.496 1.038 3.239) 11.989 31.252 ( -13.979 -4.469 2.197) 14.839 31.312 ( -9.064 -13.706 13.083) 21.004 31.722 ( 3.973 -1.876 -1.720) 4.718 31.744 ( 5.521 -2.678 1.578) 6.336 31.815 ( 9.354 -3.194 6.785) 11.989 31.953 ( 12.524 -5.438 7.711) 15.681 32.469 ( -2.681 6.651 2.391) 7.559 32.584 ( -4.323 -0.563 -4.343) 6.153 32.683 ( -7.523 -29.482 -12.141) 32.760 32.935 ( -4.941 -8.934 3.065) 10.660 33.019 ( -4.434 -6.681 -1.561) 8.170 35.196 ( 2.430 0.769 2.547) 3.603 35.334 ( 2.802 -0.214 -1.913) 3.399 35.350 ( 1.496 2.774 0.001) 3.151 35.401 ( 3.153 -0.568 3.418) 4.685 35.492 ( 4.017 1.560 -5.283) 6.818 35.597 ( -0.389 4.314 -3.805) 5.766 35.736 ( -0.976 2.361 1.408) 2.917 35.796 ( -2.115 0.719 2.085) 3.056 35.950 ( 1.296 -0.140 1.662) 2.112 36.041 ( 9.952 0.893 5.153) 11.243 36.151 ( 1.233 14.824 6.039) 16.055 36.227 ( 1.697 6.655 0.725) 6.906 36.305 ( 4.668 0.939 -5.017) 6.916 36.992 ( -30.141 44.102 -19.128) 56.739 37.670 ( -6.378 -6.927 3.421) 10.018 38.109 ( -11.777 -4.199 -10.007) 16.015 ======================= Grid point 44 (19/36) ======================= q-point: ( 0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 18.601 3.806 11.179) 22.034 1.380 ( 13.889 7.972 19.120) 24.940 1.641 ( 9.636 -1.821 -7.414) 12.293 1.745 ( 9.484 2.461 -3.660) 10.459 1.833 ( 0.654 -7.417 3.015) 8.033 1.904 ( 3.671 0.019 -3.495) 5.069 1.954 ( -2.182 -3.810 2.419) 5.013 2.072 ( 3.912 -1.690 0.849) 4.346 2.092 ( 10.190 1.259 0.941) 10.310 2.148 ( 10.141 6.155 5.250) 12.973 2.242 ( 5.800 5.420 1.109) 8.015 2.263 ( 11.052 -5.579 4.933) 13.327 2.364 ( -0.213 -0.428 8.685) 8.698 2.381 ( -4.810 -2.112 5.169) 7.370 2.440 ( -3.857 -0.245 -2.904) 4.834 2.551 ( 3.152 0.201 -1.817) 3.644 2.566 ( 4.197 -2.037 3.211) 5.664 2.624 ( -2.199 -3.588 -2.886) 5.103 2.687 ( 10.145 1.055 0.171) 10.202 2.745 ( 7.269 2.585 -2.497) 8.109 2.908 ( 6.391 -1.957 -3.595) 7.590 2.969 ( 6.824 2.393 2.396) 7.618 2.970 ( 7.716 -5.342 -6.713) 11.538 3.065 ( 8.504 -3.226 1.293) 9.187 3.105 ( 2.840 2.770 -1.669) 4.304 3.170 ( 2.790 1.188 -3.362) 4.527 3.269 ( 5.154 -1.865 3.810) 6.676 3.289 ( -0.403 -1.162 1.389) 1.855 3.350 ( 1.397 -2.191 0.075) 2.599 3.373 ( 4.104 -1.035 1.805) 4.602 3.430 ( 0.543 -0.776 2.957) 3.105 3.497 ( 6.033 -4.700 -1.956) 7.894 3.542 ( 4.344 1.498 -5.072) 6.844 3.576 ( -1.336 -1.493 -3.187) 3.765 3.642 ( -3.475 0.881 -0.962) 3.712 3.670 ( -3.471 1.446 -5.301) 6.499 3.701 ( 3.610 -2.425 -0.002) 4.349 3.754 ( 1.658 -1.132 -0.298) 2.029 3.769 ( 3.555 -0.389 -0.965) 3.704 3.910 ( -0.895 0.111 -0.948) 1.309 4.038 ( -3.506 4.465 1.139) 5.790 4.091 ( -1.616 -1.150 -0.450) 2.034 4.156 ( -1.736 -2.157 -0.449) 2.805 4.278 ( -3.908 1.772 -3.686) 5.657 4.325 ( -0.631 -2.294 -0.686) 2.476 4.404 ( -1.721 -0.849 2.744) 3.348 4.479 ( -1.664 4.135 -1.163) 4.606 4.561 ( -4.842 -2.309 -5.683) 7.815 4.616 ( -5.651 3.699 3.510) 7.612 4.690 ( -3.811 0.258 7.523) 8.437 4.731 ( -3.222 0.315 1.102) 3.420 4.839 ( -2.962 2.417 1.077) 3.972 4.963 ( -4.665 1.298 -0.464) 4.865 5.027 ( -2.576 -0.120 3.042) 3.988 5.056 ( -4.263 -1.517 6.705) 8.089 5.124 ( -4.237 -0.851 0.311) 4.333 5.315 ( 2.206 3.751 0.585) 4.391 5.425 ( 0.684 0.808 0.548) 1.192 5.575 ( -7.785 -0.963 2.203) 8.148 5.625 ( -3.248 -3.518 -0.182) 4.791 5.658 ( -3.210 -1.299 -1.779) 3.893 5.824 ( 0.916 1.533 -4.260) 4.619 5.911 ( -2.728 1.829 -10.474) 10.977 6.005 ( -2.571 -3.057 -4.788) 6.236 6.179 ( 2.185 3.129 5.381) 6.596 6.276 ( 7.412 1.079 0.224) 7.494 6.308 ( 1.469 1.363 3.456) 3.995 6.451 ( 2.007 0.579 9.313) 9.544 6.535 ( 2.510 -3.903 -3.690) 5.929 6.685 ( 2.920 0.968 -1.014) 3.239 6.731 ( -0.410 3.049 -3.565) 4.709 6.858 ( -0.800 -0.161 -7.760) 7.803 8.116 ( 3.736 0.694 0.015) 3.800 8.148 ( 3.395 1.792 -0.241) 3.847 8.258 ( 2.339 -1.994 -0.390) 3.098 8.270 ( 2.829 0.433 2.446) 3.764 8.304 ( 3.477 0.858 -0.438) 3.608 8.332 ( -0.470 0.084 2.129) 2.182 8.432 ( -1.092 -1.749 4.559) 5.003 8.450 ( 0.153 -1.128 2.657) 2.891 8.949 ( -5.040 1.269 -1.801) 5.501 8.975 ( -6.595 0.284 -2.572) 7.084 9.038 ( -5.220 -1.622 -1.974) 5.811 9.083 ( -5.988 -0.854 -3.507) 6.992 9.168 ( -8.398 1.392 0.888) 8.559 9.215 ( -6.278 -0.710 -0.438) 6.333 9.326 ( -8.512 -2.401 1.440) 8.961 9.376 ( -11.254 -2.897 -0.890) 11.655 9.921 ( 3.297 0.055 2.017) 3.865 9.949 ( 1.772 0.753 6.620) 6.894 10.014 ( 4.022 -2.137 1.939) 4.950 10.037 ( 1.851 -1.175 3.212) 3.889 10.082 ( 2.886 1.623 -1.072) 3.481 10.149 ( 2.061 2.493 -3.668) 4.891 10.220 ( 3.290 -0.993 -3.952) 5.237 10.323 ( 0.143 -1.289 -6.614) 6.740 10.632 ( -4.573 2.672 -0.591) 5.329 10.688 ( -1.528 1.527 -1.512) 2.637 10.788 ( -7.287 1.952 3.435) 8.289 10.795 ( -4.935 -0.812 1.590) 5.248 10.841 ( -2.328 -2.712 0.057) 3.575 10.930 ( -6.870 -0.337 -0.169) 6.881 10.971 ( -7.803 0.426 -4.318) 8.928 11.019 ( -10.209 -0.580 -3.642) 10.855 11.813 ( 1.689 1.250 -1.199) 2.419 11.847 ( 0.653 2.646 -1.814) 3.274 11.954 ( 0.360 0.355 2.348) 2.402 11.994 ( 7.386 -0.988 0.031) 7.451 12.055 ( 0.933 -2.421 1.918) 3.227 12.119 ( -1.269 -0.571 -2.389) 2.765 12.170 ( 2.914 0.066 -3.340) 4.433 12.184 ( 3.643 0.771 -2.046) 4.248 12.330 ( -2.566 -0.857 3.629) 4.526 12.353 ( -1.046 -1.250 -0.542) 1.717 12.409 ( -1.261 0.671 1.135) 1.824 12.425 ( 3.295 -2.351 -1.128) 4.202 12.604 ( -3.316 1.583 3.970) 5.409 12.682 ( -3.698 -1.252 0.646) 3.958 12.712 ( -3.597 1.159 -0.648) 3.835 12.805 ( -5.937 -0.919 -4.223) 7.344 13.182 ( 10.871 0.598 11.579) 15.893 13.217 ( 11.500 -0.207 10.224) 15.389 13.615 ( 9.016 -0.382 -7.811) 11.935 13.625 ( 9.478 -0.338 -8.122) 12.487 13.907 ( -9.797 1.382 10.946) 14.755 13.940 ( -8.241 0.283 7.935) 11.444 14.171 ( -4.708 1.568 -1.822) 5.286 14.227 ( -4.206 0.200 -3.631) 5.560 14.784 ( 9.926 1.458 -0.395) 10.040 14.796 ( 9.801 2.278 -1.225) 10.136 14.898 ( 8.332 4.095 2.427) 9.596 14.951 ( 10.676 -1.560 0.570) 10.804 14.990 ( 1.425 3.575 -1.559) 4.152 15.026 ( 7.281 -2.016 -2.332) 7.906 15.326 ( -0.542 -3.923 3.297) 5.153 15.446 ( -3.181 -6.978 -1.022) 7.737 15.878 ( 6.853 0.168 1.589) 7.037 15.896 ( 4.622 -0.139 -0.307) 4.634 15.906 ( 6.172 0.768 -0.930) 6.289 16.016 ( 10.265 -1.647 -4.015) 11.145 16.282 ( -2.893 -0.426 1.824) 3.446 16.299 ( -2.591 -0.441 0.422) 2.662 16.318 ( -2.127 0.364 0.704) 2.270 16.550 ( 0.607 -8.434 -9.801) 12.945 16.961 ( 2.205 -0.183 1.096) 2.469 16.970 ( 2.668 -0.302 0.920) 2.839 17.010 ( 2.480 -1.518 1.404) 3.229 17.045 ( 3.018 -2.079 -0.729) 3.737 17.110 ( 0.691 1.999 2.115) 2.991 17.136 ( 0.615 2.039 1.147) 2.419 17.164 ( 1.119 1.425 0.217) 1.825 17.250 ( 0.174 -0.406 -2.298) 2.341 19.674 ( 8.339 0.878 1.269) 8.480 19.742 ( 5.797 0.329 -1.640) 6.033 19.872 ( 11.402 -4.621 1.050) 12.347 19.924 ( 11.360 -7.564 -1.241) 13.704 20.552 ( -17.441 4.161 0.360) 17.934 20.575 ( -17.569 3.336 -0.569) 17.892 20.819 ( -16.995 -2.924 0.674) 17.258 20.850 ( -16.055 -3.605 -0.639) 16.467 22.223 ( 18.091 5.179 0.678) 18.830 22.267 ( 16.307 7.794 -1.273) 18.118 22.581 ( 15.512 -3.101 1.381) 15.879 22.629 ( 14.845 -2.511 -0.960) 15.087 23.070 ( -9.945 3.168 -0.544) 10.452 23.097 ( -9.408 3.127 -2.548) 10.236 23.319 ( -7.258 -2.507 -0.017) 7.679 23.333 ( -7.909 -2.233 -0.759) 8.253 26.709 ( 16.556 0.866 0.946) 16.606 26.759 ( 17.439 2.639 -1.236) 17.681 26.827 ( 18.390 -1.881 5.037) 19.160 27.250 ( 19.108 -10.544 -18.439) 28.571 27.954 ( -21.432 3.287 2.098) 21.784 28.009 ( -20.282 1.759 1.072) 20.387 28.270 ( -24.546 -4.777 1.921) 25.080 28.310 ( -22.535 -4.498 2.046) 23.070 29.566 ( 11.083 6.451 2.268) 13.023 29.641 ( 9.888 5.312 2.832) 11.576 29.811 ( 6.293 10.956 4.304) 13.348 29.932 ( 2.073 5.342 0.061) 5.730 30.085 ( 14.375 -2.549 10.474) 17.968 30.274 ( 7.316 -0.732 3.128) 7.990 30.299 ( 6.747 0.881 1.591) 6.988 30.335 ( 7.685 0.115 -1.437) 7.819 30.374 ( 7.904 -1.223 -2.839) 8.487 30.635 ( 4.307 -3.892 -8.883) 10.611 30.711 ( 1.273 -10.218 2.484) 10.592 30.855 ( -3.767 -0.671 -3.688) 5.314 30.960 ( -3.863 -1.102 0.394) 4.037 30.991 ( -10.134 -6.056 0.968) 11.845 31.128 ( -8.684 -18.118 13.859) 24.408 31.651 ( -7.333 -16.745 -7.499) 19.759 31.937 ( 8.917 3.087 4.213) 10.334 32.014 ( 9.913 2.036 2.754) 10.488 32.200 ( 11.150 -1.268 1.057) 11.272 32.399 ( -4.375 5.105 3.054) 7.384 32.456 ( -5.409 -3.785 -7.936) 10.323 32.561 ( -4.198 -6.812 -4.512) 9.186 32.806 ( -7.466 -5.201 3.306) 9.681 32.895 ( -7.718 -4.881 -1.379) 9.235 35.249 ( 2.574 0.893 2.616) 3.777 35.343 ( -0.803 3.860 2.727) 4.794 35.402 ( 2.919 0.289 -4.436) 5.318 35.493 ( 1.585 3.013 -1.496) 3.719 35.531 ( 3.880 0.662 -0.181) 3.940 35.669 ( 5.611 -1.465 -2.033) 6.145 35.739 ( 0.789 -0.024 1.140) 1.387 35.790 ( 1.175 4.098 1.137) 4.412 35.965 ( 1.033 4.694 0.684) 4.855 36.071 ( -4.085 22.030 9.328) 24.269 36.175 ( -3.431 -3.350 -7.445) 8.856 36.314 ( 9.665 3.191 0.995) 10.227 36.528 ( -7.893 21.577 -2.646) 23.128 36.587 ( 13.888 -1.421 -3.014) 14.282 37.439 ( -15.133 -9.600 6.377) 19.022 37.789 ( -18.826 -6.989 -7.652) 21.490 ======================= Grid point 45 (20/36) ======================= q-point: ( 0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 16.029 -0.390 10.623) 19.234 1.646 ( 11.035 3.298 12.329) 16.872 1.723 ( -1.874 0.410 6.558) 6.833 1.818 ( 0.828 -0.253 -2.008) 2.187 1.891 ( -1.090 -2.927 1.167) 3.334 1.927 ( -3.461 0.116 -2.449) 4.241 1.989 ( 5.849 -3.335 0.245) 6.737 2.092 ( -2.432 -0.424 -0.285) 2.485 2.180 ( -1.991 -3.112 3.284) 4.943 2.234 ( -0.433 -4.527 1.094) 4.677 2.252 ( 1.829 -0.669 0.232) 1.962 2.296 ( 3.832 2.107 1.903) 4.769 2.300 ( -1.471 2.359 -1.835) 3.331 2.393 ( 0.009 -0.615 1.977) 2.070 2.500 ( -2.193 0.119 -3.993) 4.557 2.550 ( -0.840 1.580 -1.749) 2.502 2.635 ( 10.928 -0.282 4.811) 11.943 2.750 ( 9.661 1.166 5.372) 11.115 2.890 ( -3.399 -3.265 3.062) 5.620 2.928 ( -0.704 2.047 1.030) 2.397 2.994 ( -4.851 1.571 4.293) 6.666 3.032 ( 13.730 3.145 -2.616) 14.326 3.075 ( 5.572 -3.926 -2.864) 7.394 3.099 ( 2.077 1.759 1.186) 2.969 3.184 ( 5.541 -0.326 -4.395) 7.080 3.232 ( -4.048 -2.419 0.627) 4.757 3.297 ( -1.498 0.095 -1.052) 1.833 3.319 ( 0.452 -4.441 -3.927) 5.946 3.382 ( -1.248 -1.024 0.063) 1.616 3.406 ( 1.019 -1.585 -1.431) 2.366 3.440 ( 4.079 -0.692 -2.159) 4.667 3.460 ( 0.173 -1.526 0.756) 1.712 3.559 ( -7.261 -1.825 -4.468) 8.719 3.595 ( -1.272 -1.255 -3.439) 3.876 3.640 ( 8.067 3.171 -9.445) 12.820 3.699 ( 4.343 3.328 -2.040) 5.840 3.798 ( 3.149 -1.830 4.329) 5.657 3.817 ( 1.100 -3.850 8.023) 8.967 3.855 ( 2.994 1.047 1.550) 3.530 3.920 ( -1.424 0.090 2.014) 2.468 4.001 ( 2.427 3.381 -5.849) 7.178 4.055 ( -1.535 1.633 -5.047) 5.522 4.137 ( -0.523 0.529 -0.489) 0.891 4.198 ( -5.499 3.424 -4.630) 7.962 4.334 ( 3.325 -3.361 1.102) 4.855 4.376 ( -0.653 -3.471 2.931) 4.589 4.451 ( -0.171 -0.001 -1.059) 1.073 4.479 ( -2.627 -2.640 -3.362) 5.017 4.554 ( -0.709 2.593 6.366) 6.910 4.585 ( -4.164 1.869 5.056) 6.811 4.743 ( 3.128 -1.973 2.226) 4.316 4.806 ( -1.294 -1.369 1.558) 2.445 4.888 ( -1.547 1.011 1.117) 2.159 4.943 ( -5.458 0.693 3.716) 6.639 4.992 ( -0.105 -0.723 3.017) 3.105 5.044 ( -4.207 -2.227 -0.903) 4.845 5.300 ( -0.857 1.010 3.818) 4.041 5.370 ( -7.931 0.639 5.526) 9.687 5.433 ( 0.325 -0.143 0.632) 0.725 5.486 ( -5.843 -2.633 0.065) 6.409 5.715 ( 5.226 2.887 -4.891) 7.718 5.815 ( -3.584 2.683 -6.617) 7.989 5.894 ( 1.093 0.837 -11.803) 11.883 5.946 ( -3.242 -1.178 -9.926) 10.508 6.254 ( 4.053 2.774 10.405) 11.506 6.307 ( -0.722 2.128 7.415) 7.748 6.480 ( 7.506 -2.990 0.282) 8.084 6.555 ( 5.362 -1.940 2.159) 6.097 6.565 ( 2.433 -0.204 -0.978) 2.630 6.694 ( -3.620 2.926 -2.340) 5.210 6.737 ( 2.203 1.731 -3.653) 4.604 6.802 ( -4.022 1.199 -6.457) 7.701 8.203 ( 4.408 0.410 1.033) 4.546 8.227 ( 3.698 0.915 1.895) 4.255 8.278 ( -0.383 -0.210 2.733) 2.768 8.289 ( -2.624 0.770 1.642) 3.190 8.334 ( 2.509 -0.238 0.864) 2.664 8.373 ( 0.760 -1.467 0.544) 1.739 8.399 ( 0.054 -0.540 0.274) 0.608 8.440 ( -1.646 -1.064 -0.065) 1.961 8.882 ( -0.857 0.975 -0.532) 1.403 8.895 ( -0.700 0.963 -1.080) 1.607 8.927 ( -4.808 0.488 -1.385) 5.027 8.951 ( -5.861 1.038 -1.044) 6.043 9.083 ( 0.525 -1.872 0.278) 1.964 9.121 ( -1.849 -2.370 -0.798) 3.110 9.168 ( -5.919 -2.667 -0.336) 6.501 9.174 ( -7.540 -2.437 -0.458) 7.937 9.979 ( 2.506 -0.064 1.882) 3.135 9.995 ( 1.414 0.162 3.167) 3.472 10.057 ( 1.217 -1.800 0.901) 2.352 10.071 ( 0.347 -1.917 0.261) 1.965 10.138 ( 2.555 2.307 0.532) 3.483 10.173 ( -0.348 2.874 -0.533) 2.943 10.292 ( 3.003 -1.917 -4.748) 5.936 10.326 ( -0.363 -1.349 -5.259) 5.441 10.584 ( 0.355 2.555 2.615) 3.673 10.636 ( -4.157 1.166 5.570) 7.047 10.705 ( 0.267 0.326 -1.591) 1.646 10.725 ( -0.556 0.888 -0.495) 1.159 10.752 ( -4.818 -1.601 0.985) 5.172 10.811 ( -7.316 0.600 -3.437) 8.105 10.852 ( -1.233 -0.877 -3.543) 3.853 10.870 ( -3.480 -0.814 -4.051) 5.402 11.859 ( 2.606 1.756 0.487) 3.180 11.882 ( 2.141 1.891 0.053) 2.857 11.930 ( -0.720 2.760 1.353) 3.157 12.010 ( -6.099 2.131 -1.777) 6.700 12.114 ( 3.811 -3.323 0.524) 5.083 12.132 ( 4.165 -2.952 0.033) 5.105 12.220 ( 0.899 -2.804 -2.193) 3.672 12.259 ( -2.690 -1.993 -2.496) 4.176 12.322 ( 3.824 2.121 2.112) 4.857 12.400 ( -0.513 0.479 3.593) 3.661 12.413 ( 8.180 -0.071 -0.682) 8.209 12.486 ( 1.044 -1.602 2.374) 3.048 12.569 ( 2.354 0.390 -1.804) 2.991 12.582 ( -5.008 -0.537 0.104) 5.037 12.611 ( -6.747 0.738 -1.121) 6.880 12.672 ( -6.290 -0.444 -4.318) 7.643 13.418 ( 12.209 0.942 11.426) 16.748 13.468 ( 12.801 -0.261 9.062) 15.686 13.665 ( -11.410 0.662 10.504) 15.523 13.716 ( -10.071 -0.831 6.864) 12.216 13.826 ( 8.668 1.286 -4.875) 10.028 13.858 ( 10.088 0.676 -6.756) 12.161 14.029 ( -8.713 1.133 -4.284) 9.775 14.080 ( -9.610 0.052 -6.186) 11.430 14.935 ( 4.684 1.827 0.361) 5.041 14.953 ( 5.150 2.412 -0.530) 5.712 14.981 ( 0.751 2.665 0.737) 2.866 15.013 ( 0.304 3.803 -0.587) 3.860 15.141 ( 7.344 -2.172 0.493) 7.675 15.174 ( 7.483 -2.072 -0.906) 7.817 15.265 ( -4.819 -3.063 1.940) 6.031 15.328 ( -7.223 -2.942 -0.630) 7.825 16.013 ( 7.873 0.497 0.986) 7.950 16.051 ( 8.492 -0.341 2.979) 9.006 16.081 ( 8.792 0.997 -1.698) 9.010 16.171 ( -6.253 -0.136 1.031) 6.339 16.206 ( -3.624 -1.041 2.562) 4.558 16.240 ( -5.771 1.033 -1.455) 6.041 16.256 ( 8.313 -1.523 -4.495) 9.572 16.459 ( -8.510 -4.414 -7.707) 12.300 16.993 ( 0.942 -1.182 1.707) 2.280 16.999 ( 0.435 -1.473 1.956) 2.487 17.041 ( 1.049 -1.539 0.270) 1.882 17.057 ( -0.507 -1.694 -0.419) 1.817 17.140 ( 1.278 2.959 1.984) 3.785 17.151 ( 0.315 2.952 1.896) 3.523 17.214 ( 2.750 1.209 -1.022) 3.173 17.249 ( -0.644 0.428 -1.896) 2.048 19.883 ( 11.971 0.957 0.674) 12.029 19.916 ( 11.125 0.287 -0.754) 11.155 20.094 ( 4.206 -5.372 0.392) 6.834 20.103 ( -2.686 -4.839 0.037) 5.535 20.279 ( -5.336 3.329 0.110) 6.290 20.303 ( 1.347 0.794 -0.927) 1.818 20.487 ( -15.440 -2.792 0.962) 15.720 20.536 ( -14.691 -4.288 -1.157) 15.348 22.570 ( 15.887 4.287 -0.029) 16.455 22.581 ( 14.299 5.547 -0.392) 15.342 22.846 ( -9.482 3.878 -0.631) 10.264 22.868 ( -10.208 3.084 -1.637) 10.789 22.883 ( 10.670 -1.905 0.919) 10.877 22.916 ( 11.012 -2.291 -0.270) 11.251 23.138 ( -11.215 -2.400 0.008) 11.469 23.144 ( -9.980 -2.585 -0.217) 10.311 27.091 ( 20.392 1.042 1.348) 20.463 27.141 ( 19.709 3.123 -0.904) 19.975 27.230 ( 21.263 -2.164 5.031) 21.957 27.501 ( -9.571 -0.266 -3.979) 10.368 27.534 ( -16.735 2.315 0.938) 16.920 27.658 ( -3.116 -5.247 -4.122) 7.365 27.739 ( -23.002 -2.593 1.224) 23.180 27.929 ( -16.203 -5.495 -5.025) 17.832 29.732 ( 5.030 6.609 4.752) 9.568 29.761 ( 2.200 4.908 6.021) 8.073 29.929 ( 4.227 12.589 -2.479) 13.509 29.964 ( 0.537 9.281 -2.253) 9.566 30.355 ( 10.073 -3.774 4.618) 11.706 30.427 ( 6.280 -1.877 3.887) 7.620 30.434 ( 5.809 0.609 2.902) 6.522 30.489 ( 6.817 -0.680 -0.810) 6.898 30.545 ( 7.407 -0.778 -2.209) 7.768 30.565 ( -5.163 -0.188 0.410) 5.183 30.638 ( -7.594 -0.503 1.221) 7.708 30.714 ( -8.053 -0.903 -1.114) 8.180 30.845 ( -2.271 -7.811 2.348) 8.466 30.938 ( -8.685 -14.537 9.215) 19.279 31.137 ( 14.285 -12.849 -8.867) 21.161 31.433 ( -13.558 -18.364 -10.359) 25.067 32.105 ( 7.791 4.607 2.862) 9.493 32.198 ( 7.748 2.966 0.183) 8.298 32.254 ( -6.373 5.782 1.225) 8.692 32.322 ( -3.595 1.467 -2.283) 4.504 32.502 ( 9.515 -1.447 -0.098) 9.625 32.535 ( 2.788 -3.101 -1.244) 4.351 32.649 ( -7.492 -2.887 2.063) 8.290 32.713 ( -10.025 -3.547 -0.941) 10.675 35.294 ( 1.844 2.037 2.650) 3.817 35.324 ( -1.134 3.136 2.714) 4.299 35.450 ( 1.823 3.510 -4.631) 6.090 35.479 ( -1.202 5.885 -4.236) 7.350 35.644 ( 5.076 -3.869 2.994) 7.050 35.715 ( -1.598 -2.148 3.097) 4.094 35.787 ( 3.434 1.862 -0.457) 3.933 35.818 ( 0.664 5.017 0.936) 5.147 35.994 ( 1.025 7.875 -0.106) 7.942 36.007 ( -1.556 10.673 2.726) 11.125 36.123 ( 0.162 5.351 -5.398) 7.602 36.218 ( -8.236 18.679 -4.294) 20.861 36.721 ( 17.692 -7.152 6.736) 20.237 36.964 ( 19.955 -7.710 -4.399) 21.841 37.093 ( -18.315 -9.332 6.716) 21.625 37.380 ( -20.789 -8.394 -5.720) 23.138 ======================= Grid point 49 (21/36) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 21.731 6.349) 22.640 1.029 ( 0.000 17.570 7.999) 19.305 1.366 ( 0.000 -12.108 6.092) 13.554 1.444 ( 0.000 3.153 -9.931) 10.420 1.531 ( 0.000 -2.565 -14.351) 14.578 1.541 ( 0.000 -22.317 -0.826) 22.332 1.759 ( 0.000 -2.540 -15.630) 15.835 1.786 ( 0.000 1.392 -8.994) 9.101 1.958 ( 0.000 16.715 11.271) 20.160 2.084 ( 0.000 2.999 12.411) 12.768 2.154 ( 0.000 -1.821 6.772) 7.013 2.266 ( 0.000 -0.620 3.601) 3.654 2.288 ( 0.000 7.557 4.826) 8.966 2.345 ( 0.000 7.803 2.862) 8.311 2.429 ( 0.000 -7.366 5.046) 8.929 2.478 ( 0.000 5.276 3.816) 6.511 2.488 ( 0.000 -0.875 3.192) 3.310 2.567 ( 0.000 -12.235 2.073) 12.409 2.620 ( 0.000 -6.249 0.981) 6.326 2.626 ( 0.000 -7.312 8.262) 11.032 2.716 ( 0.000 -0.329 1.665) 1.697 2.726 ( 0.000 2.456 2.861) 3.771 2.798 ( 0.000 -2.111 -0.077) 2.112 2.874 ( 0.000 -4.800 -8.192) 9.494 2.898 ( 0.000 1.092 -7.139) 7.222 2.906 ( 0.000 1.797 1.774) 2.525 2.967 ( 0.000 -3.496 -5.158) 6.232 3.021 ( 0.000 -3.768 -3.457) 5.113 3.209 ( 0.000 5.165 6.810) 8.547 3.314 ( 0.000 -4.345 5.927) 7.349 3.386 ( 0.000 4.208 2.537) 4.914 3.434 ( 0.000 -1.597 3.368) 3.727 3.460 ( 0.000 1.038 -0.966) 1.418 3.534 ( 0.000 -4.348 1.270) 4.529 3.651 ( 0.000 2.092 -10.642) 10.845 3.691 ( 0.000 -1.301 -8.802) 8.898 3.785 ( 0.000 2.946 -1.056) 3.129 3.854 ( 0.000 -1.729 2.922) 3.395 3.866 ( 0.000 3.053 -1.696) 3.493 3.918 ( 0.000 -2.541 0.435) 2.578 4.015 ( 0.000 2.095 6.129) 6.477 4.124 ( 0.000 -7.216 6.349) 9.611 4.346 ( 0.000 3.641 -11.134) 11.714 4.389 ( 0.000 2.213 -2.871) 3.625 4.425 ( 0.000 2.851 3.808) 4.757 4.503 ( 0.000 -1.541 7.303) 7.463 4.600 ( 0.000 4.128 1.161) 4.288 4.626 ( 0.000 0.479 -2.302) 2.351 4.785 ( 0.000 0.082 9.505) 9.505 4.822 ( 0.000 -2.583 1.064) 2.794 4.871 ( 0.000 2.676 1.906) 3.286 4.893 ( 0.000 1.085 -0.265) 1.117 5.130 ( 0.000 3.614 0.632) 3.668 5.171 ( 0.000 1.320 5.375) 5.535 5.243 ( 0.000 -0.838 -8.415) 8.456 5.278 ( 0.000 5.849 -1.605) 6.065 5.293 ( 0.000 -1.308 0.814) 1.541 5.313 ( 0.000 4.417 -6.748) 8.066 5.467 ( 0.000 -0.613 -4.904) 4.942 5.606 ( 0.000 -10.189 -10.870) 14.899 5.743 ( 0.000 4.201 8.384) 9.378 5.880 ( 0.000 -8.524 5.205) 9.988 5.982 ( 0.000 0.054 1.193) 1.194 6.062 ( 0.000 -5.697 -5.289) 7.774 6.263 ( 0.000 2.461 0.078) 2.462 6.305 ( 0.000 -1.421 -0.051) 1.422 6.332 ( 0.000 0.420 -0.997) 1.082 6.355 ( 0.000 -1.642 -4.473) 4.765 6.513 ( 0.000 6.565 3.694) 7.533 6.603 ( 0.000 -1.784 0.384) 1.825 6.762 ( 0.000 0.550 -3.427) 3.471 6.770 ( 0.000 -0.082 -6.650) 6.650 8.087 ( 0.000 1.576 -2.979) 3.370 8.109 ( 0.000 -0.249 -1.776) 1.793 8.149 ( 0.000 1.104 -4.517) 4.650 8.169 ( 0.000 -0.935 -4.677) 4.770 8.305 ( 0.000 2.553 4.511) 5.183 8.344 ( 0.000 2.365 3.088) 3.890 8.365 ( 0.000 -3.182 4.985) 5.914 8.405 ( 0.000 -3.283 5.050) 6.023 9.142 ( 0.000 1.520 -2.837) 3.219 9.165 ( 0.000 0.094 -3.203) 3.204 9.184 ( 0.000 -0.674 -4.272) 4.324 9.188 ( 0.000 -1.722 -4.161) 4.504 9.389 ( 0.000 2.805 0.655) 2.881 9.458 ( 0.000 -3.607 1.949) 4.100 9.463 ( 0.000 3.829 -1.735) 4.203 9.552 ( 0.000 -4.672 -2.073) 5.111 9.870 ( 0.000 1.406 4.010) 4.249 9.891 ( 0.000 -0.306 4.276) 4.287 9.933 ( 0.000 0.469 5.714) 5.734 9.953 ( 0.000 -1.086 5.777) 5.878 10.072 ( 0.000 1.063 -0.460) 1.158 10.075 ( 0.000 0.777 -1.644) 1.818 10.243 ( 0.000 1.803 -5.773) 6.048 10.293 ( 0.000 -2.765 -7.406) 7.905 10.786 ( 0.000 2.584 1.303) 2.893 10.832 ( 0.000 -1.597 1.002) 1.885 10.861 ( 0.000 0.965 -1.210) 1.547 10.877 ( 0.000 -0.613 -1.033) 1.201 11.028 ( 0.000 1.236 1.801) 2.185 11.073 ( 0.000 -3.128 1.168) 3.339 11.227 ( 0.000 -0.136 -6.884) 6.886 11.233 ( 0.000 -0.498 -6.881) 6.899 11.777 ( 0.000 0.411 1.868) 1.912 11.788 ( 0.000 -0.485 0.971) 1.086 11.826 ( 0.000 1.555 -0.515) 1.638 11.857 ( 0.000 -1.208 -0.967) 1.548 12.095 ( 0.000 2.101 4.447) 4.918 12.152 ( 0.000 -2.561 0.227) 2.572 12.197 ( 0.000 2.269 -1.558) 2.752 12.261 ( 0.000 -3.036 -2.750) 4.096 12.352 ( 0.000 2.325 0.502) 2.379 12.388 ( 0.000 -0.186 2.414) 2.422 12.408 ( 0.000 -1.325 -0.588) 1.450 12.415 ( 0.000 -2.714 0.413) 2.745 12.676 ( 0.000 1.430 6.190) 6.353 12.708 ( 0.000 -1.705 4.974) 5.258 12.836 ( 0.000 2.608 -1.614) 3.067 12.888 ( 0.000 -2.232 -2.584) 3.414 12.918 ( 0.000 0.809 9.900) 9.933 12.933 ( 0.000 -0.783 10.107) 10.137 13.386 ( 0.000 0.585 -9.901) 9.918 13.405 ( 0.000 -1.248 -9.764) 9.843 14.117 ( 0.000 2.603 10.109) 10.439 14.168 ( 0.000 -2.065 11.646) 11.828 14.281 ( 0.000 1.174 1.972) 2.295 14.296 ( 0.000 -0.754 4.073) 4.143 14.417 ( 0.000 1.045 -0.895) 1.376 14.429 ( 0.000 -0.156 -0.895) 0.908 14.465 ( 0.000 0.739 -0.941) 1.196 14.484 ( 0.000 -0.991 -1.517) 1.812 14.779 ( 0.000 6.293 6.874) 9.320 14.930 ( 0.000 -8.518 10.376) 13.425 15.083 ( 0.000 5.083 -4.490) 6.782 15.184 ( 0.000 -4.273 -1.388) 4.493 15.758 ( 0.000 0.919 -1.422) 1.694 15.764 ( 0.000 -0.429 0.666) 0.792 15.788 ( 0.000 1.619 -1.408) 2.146 15.863 ( 0.000 -5.036 -2.184) 5.490 16.300 ( 0.000 1.539 0.273) 1.563 16.316 ( 0.000 0.995 0.142) 1.006 16.323 ( 0.000 -1.083 0.462) 1.178 16.343 ( 0.000 -1.067 0.053) 1.068 16.867 ( 0.000 0.222 0.800) 0.831 16.867 ( 0.000 0.243 1.048) 1.076 16.902 ( 0.000 1.118 -0.691) 1.314 16.912 ( 0.000 0.235 -0.671) 0.711 17.150 ( 0.000 0.301 1.230) 1.266 17.155 ( 0.000 -0.157 0.081) 0.177 17.185 ( 0.000 1.829 -1.107) 2.138 17.224 ( 0.000 -1.830 -1.949) 2.674 19.528 ( 0.000 1.359 2.730) 3.050 19.567 ( 0.000 -2.492 2.162) 3.299 19.685 ( 0.000 1.319 -4.102) 4.309 19.708 ( 0.000 -0.870 -4.276) 4.364 21.225 ( 0.000 2.711 0.319) 2.729 21.240 ( 0.000 2.379 -0.302) 2.398 21.287 ( 0.000 -3.074 0.237) 3.083 21.295 ( 0.000 -2.833 -0.113) 2.835 21.783 ( 0.000 9.700 1.721) 9.851 21.939 ( 0.000 7.274 -6.111) 9.500 21.965 ( 0.000 -7.545 1.651) 7.724 22.067 ( 0.000 -5.189 -2.834) 5.912 23.365 ( 0.000 2.160 -0.424) 2.201 23.377 ( 0.000 3.073 -1.471) 3.407 23.421 ( 0.000 -3.024 -0.160) 3.028 23.442 ( 0.000 -2.995 -1.331) 3.277 26.349 ( 0.000 0.135 0.091) 0.163 26.351 ( 0.000 0.060 0.131) 0.144 26.351 ( 0.000 0.061 0.130) 0.144 26.354 ( 0.000 -0.163 0.017) 0.164 28.725 ( 0.000 1.776 4.881) 5.194 28.731 ( 0.000 1.062 2.309) 2.542 28.967 ( 0.000 1.306 -6.661) 6.788 28.993 ( 0.000 -1.061 -9.848) 9.905 29.094 ( 0.000 7.980 13.904) 16.032 29.359 ( 0.000 12.100 4.131) 12.786 29.375 ( 0.000 -20.410 34.606) 40.176 29.556 ( 0.000 -6.815 12.660) 14.378 30.012 ( 0.000 4.801 1.610) 5.064 30.098 ( 0.000 -1.023 0.312) 1.069 30.115 ( 0.000 -1.976 -0.140) 1.981 30.122 ( 0.000 -0.886 0.012) 0.886 30.228 ( 0.000 1.133 -1.403) 1.804 30.275 ( 0.000 -3.929 -1.190) 4.105 30.332 ( 0.000 11.439 -7.720) 13.800 30.616 ( 0.000 -13.324 -7.452) 15.267 31.335 ( 0.000 1.779 -0.816) 1.957 31.384 ( 0.000 -1.090 -4.288) 4.424 31.446 ( 0.000 3.796 -6.163) 7.238 31.586 ( 0.000 -6.054 -6.443) 8.841 31.650 ( 0.000 2.016 8.954) 9.178 31.689 ( 0.000 1.845 5.616) 5.912 31.728 ( 0.000 0.986 3.531) 3.666 31.988 ( 0.000 -25.855 -8.157) 27.111 32.681 ( 0.000 10.056 -0.258) 10.060 32.695 ( 0.000 4.632 -0.823) 4.705 32.816 ( 0.000 -7.012 1.896) 7.264 32.890 ( 0.000 -9.624 -1.455) 9.733 35.214 ( 0.000 2.781 2.381) 3.661 35.273 ( 0.000 -2.688 2.133) 3.432 35.352 ( 0.000 2.656 -3.922) 4.737 35.406 ( 0.000 -2.397 -4.098) 4.747 35.511 ( 0.000 7.673 5.191) 9.264 35.672 ( 0.000 -7.425 5.765) 9.400 35.808 ( 0.000 7.579 -7.887) 10.938 35.844 ( 0.000 3.465 4.559) 5.726 35.864 ( 0.000 -1.490 2.656) 3.046 35.972 ( 0.000 -5.212 -2.364) 5.723 36.040 ( 0.000 5.353 -5.416) 7.615 36.177 ( 0.000 -7.105 -9.390) 11.775 36.912 ( 0.000 27.760 22.437) 35.694 37.377 ( 0.000 -17.641 18.817) 25.793 37.988 ( 0.000 11.672 -27.794) 30.145 38.151 ( 0.000 -5.403 -16.159) 17.039 ======================= Grid point 50 (22/36) ======================= q-point: ( 0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 7.617 18.612 6.171) 21.036 1.287 ( 16.407 11.535 6.559) 21.101 1.474 ( 5.883 -6.097 -0.318) 8.478 1.513 ( 3.690 -3.248 -4.180) 6.453 1.600 ( 12.938 -16.035 0.201) 20.605 1.641 ( 10.208 -9.730 -1.274) 14.160 1.756 ( 1.886 5.864 -13.181) 14.550 1.903 ( 3.489 -5.626 -9.922) 11.928 1.997 ( 8.938 14.797 9.901) 19.922 2.137 ( 2.908 1.406 8.410) 9.009 2.182 ( 4.983 4.936 10.501) 12.628 2.249 ( 0.888 6.109 -0.802) 6.226 2.325 ( 1.605 1.533 2.215) 3.136 2.368 ( 3.578 1.216 2.457) 4.508 2.445 ( 0.773 -6.344 3.926) 7.500 2.490 ( -0.541 2.642 -0.992) 2.873 2.526 ( 1.294 0.643 2.033) 2.494 2.601 ( 2.769 -4.564 6.265) 8.231 2.636 ( 0.907 -2.153 -0.500) 2.389 2.651 ( 4.141 -7.002 2.299) 8.454 2.709 ( 3.966 3.121 -3.205) 5.978 2.769 ( 1.434 -3.739 0.526) 4.039 2.809 ( 1.331 -1.645 -0.290) 2.135 2.889 ( 4.332 -6.013 -1.413) 7.544 2.970 ( 8.215 0.137 1.773) 8.406 3.025 ( 8.239 -2.010 3.177) 9.057 3.084 ( 9.446 0.142 -3.126) 9.951 3.155 ( 9.150 -4.308 -1.572) 10.235 3.228 ( 3.378 5.337 4.478) 7.743 3.341 ( 3.621 -4.636 3.158) 6.677 3.377 ( -1.094 2.850 2.785) 4.132 3.406 ( -2.684 -1.220 3.023) 4.223 3.448 ( -0.985 2.024 -0.258) 2.266 3.529 ( -0.035 -3.932 0.085) 3.933 3.664 ( 0.486 2.260 -9.485) 9.763 3.707 ( 1.274 -1.088 -9.102) 9.255 3.763 ( -1.911 1.715 -0.821) 2.696 3.807 ( -4.616 -1.236 3.077) 5.684 3.837 ( -2.528 3.122 -2.139) 4.552 3.889 ( -2.490 -1.982 0.191) 3.188 4.036 ( 1.414 -0.621 4.848) 5.088 4.093 ( -2.456 -5.553 5.646) 8.291 4.308 ( -3.836 5.456 -8.256) 10.613 4.365 ( -1.497 1.027 -5.137) 5.448 4.385 ( -3.842 2.699 1.956) 5.087 4.463 ( -3.342 -1.336 5.362) 6.458 4.592 ( -0.802 3.353 -0.607) 3.501 4.608 ( -2.249 0.349 -0.980) 2.478 4.727 ( -4.104 0.951 8.939) 9.882 4.791 ( -4.491 -3.954 1.845) 6.261 4.862 ( -1.934 3.756 0.031) 4.224 4.902 ( 0.207 -0.015 -0.860) 0.884 5.073 ( -3.960 1.635 1.830) 4.659 5.104 ( -4.868 -0.382 4.190) 6.435 5.158 ( -7.040 4.276 -2.030) 8.483 5.245 ( -6.297 -2.352 -2.041) 7.025 5.350 ( 4.817 5.061 -4.154) 8.129 5.382 ( 5.419 3.435 -4.127) 7.629 5.483 ( 2.726 -3.241 -1.511) 4.497 5.555 ( -0.942 -8.346 -6.469) 10.602 5.722 ( -1.504 4.520 5.421) 7.217 5.857 ( -4.235 -7.728 3.049) 9.325 5.991 ( -0.418 1.079 -2.663) 2.903 6.023 ( -2.892 -1.792 -7.154) 7.922 6.225 ( -2.187 2.071 2.314) 3.798 6.248 ( -3.588 -0.287 0.492) 3.633 6.330 ( -0.072 1.061 -0.379) 1.129 6.382 ( 2.670 -3.832 -2.346) 5.226 6.519 ( 0.855 6.304 5.411) 8.352 6.618 ( 1.528 -2.604 0.946) 3.164 6.776 ( 1.456 2.151 -4.101) 4.854 6.813 ( 2.664 -1.312 -6.291) 6.956 8.101 ( 1.343 2.036 -1.962) 3.130 8.127 ( 1.939 0.378 -1.589) 2.535 8.180 ( 1.213 -1.050 -3.443) 3.799 8.182 ( 2.798 -0.428 -3.052) 4.162 8.318 ( 1.017 2.854 4.286) 5.248 8.348 ( 0.543 1.971 3.117) 3.727 8.379 ( 1.069 -2.914 4.374) 5.363 8.402 ( -0.062 -3.001 4.829) 5.686 9.091 ( -4.818 1.665 -3.052) 5.941 9.107 ( -4.800 -0.155 -2.223) 5.292 9.115 ( -5.885 -0.125 -3.422) 6.809 9.148 ( -3.802 -2.378 -4.474) 6.335 9.347 ( -4.492 2.479 0.673) 5.175 9.400 ( -6.243 3.683 -1.130) 7.336 9.409 ( -4.939 -3.327 1.976) 6.274 9.487 ( -6.579 -4.570 -1.584) 8.166 9.881 ( 1.662 1.529 3.946) 4.546 9.912 ( 1.955 -1.282 3.868) 4.520 9.946 ( 1.040 0.997 6.023) 6.193 9.973 ( 1.613 -1.430 5.916) 6.297 10.076 ( 1.202 1.841 -2.263) 3.155 10.100 ( 2.133 -0.351 -3.140) 3.812 10.232 ( -0.653 2.187 -5.150) 5.633 10.284 ( -0.504 -2.648 -6.782) 7.298 10.752 ( -2.625 2.802 0.361) 3.857 10.808 ( -2.540 -0.873 -0.033) 2.686 10.820 ( -3.317 0.088 -0.562) 3.365 10.848 ( -2.803 -1.189 -0.120) 3.048 10.977 ( -4.979 1.923 1.575) 5.565 11.025 ( -4.670 -2.509 0.784) 5.359 11.147 ( -6.679 1.115 -5.789) 8.909 11.175 ( -6.440 -1.510 -5.803) 8.799 11.800 ( 2.485 1.646 0.665) 3.054 11.841 ( 4.031 -1.912 -0.302) 4.472 11.868 ( 3.757 0.952 -0.513) 3.909 11.882 ( 2.521 -0.205 -1.501) 2.941 12.057 ( -2.434 1.303 4.543) 5.316 12.104 ( -3.158 -2.478 1.085) 4.158 12.158 ( -1.749 3.217 -1.507) 3.960 12.234 ( -1.709 -3.196 -2.697) 4.518 12.346 ( -1.375 0.844 0.483) 1.684 12.366 ( -2.163 -0.870 1.069) 2.565 12.382 ( -0.643 0.783 0.072) 1.016 12.421 ( -0.391 -2.270 -0.257) 2.318 12.675 ( -0.751 1.315 4.921) 5.148 12.702 ( -1.146 -1.323 3.696) 4.090 12.812 ( -2.320 2.405 -1.708) 3.752 12.860 ( -2.667 -2.096 -3.072) 4.576 12.999 ( 7.612 0.565 10.662) 13.113 13.011 ( 7.416 -0.616 10.859) 13.164 13.449 ( 5.997 0.295 -9.270) 11.044 13.461 ( 5.439 -0.876 -9.126) 10.660 14.072 ( -4.171 1.024 9.418) 10.351 14.087 ( -6.055 -0.290 10.797) 12.382 14.258 ( -1.030 1.348 1.409) 2.205 14.270 ( -0.581 0.254 0.378) 0.738 14.590 ( 11.118 1.495 -0.360) 11.224 14.613 ( 12.774 1.286 -0.836) 12.866 14.648 ( 14.807 1.617 -1.428) 14.963 14.749 ( 16.078 -5.760 -6.136) 18.147 14.850 ( 7.175 7.042 6.560) 12.004 15.041 ( 11.157 -11.889 8.520) 18.397 15.092 ( 0.787 5.480 -3.599) 6.604 15.209 ( 2.054 -5.150 -0.851) 5.609 15.785 ( 2.700 1.538 -0.506) 3.148 15.804 ( 3.703 0.023 -0.192) 3.708 15.829 ( 4.723 -0.687 -1.693) 5.064 15.851 ( -0.148 -3.007 -1.126) 3.214 16.305 ( -0.340 0.408 0.353) 0.637 16.317 ( -0.326 -0.361 0.182) 0.519 16.334 ( 2.088 -0.979 -0.119) 2.309 16.338 ( 0.070 -0.790 0.204) 0.819 16.910 ( 3.626 0.564 0.870) 3.771 16.922 ( 4.358 -0.461 0.480) 4.409 16.929 ( 2.224 0.769 0.137) 2.357 16.939 ( 2.394 -0.053 0.011) 2.395 17.142 ( -0.487 0.809 0.885) 1.294 17.155 ( -0.110 -0.263 0.358) 0.458 17.182 ( 0.022 1.928 -1.017) 2.180 17.222 ( 0.011 -1.753 -1.914) 2.596 19.571 ( 4.344 1.588 2.072) 5.068 19.618 ( 5.110 -2.996 1.507) 6.113 19.689 ( 0.987 0.848 -3.011) 3.280 19.709 ( 1.228 -1.207 -2.563) 3.088 21.004 ( -17.099 3.973 0.164) 17.555 21.014 ( -16.861 3.927 -0.237) 17.314 21.087 ( -15.971 -3.883 0.236) 16.438 21.097 ( -15.636 -3.984 -0.197) 16.137 22.005 ( 16.585 8.078 1.579) 18.516 22.124 ( 14.306 6.417 -3.813) 16.136 22.163 ( 15.281 -5.828 1.204) 16.399 22.249 ( 14.314 -4.801 -2.362) 15.281 23.302 ( -5.739 3.099 -0.424) 6.536 23.321 ( -5.141 3.734 -1.851) 6.618 23.373 ( -4.545 -3.488 -0.115) 5.730 23.397 ( -4.396 -3.387 -1.411) 5.726 26.455 ( 10.144 0.864 0.796) 10.211 26.476 ( 11.517 -1.096 1.369) 11.650 26.501 ( 13.779 2.792 -1.331) 14.122 26.590 ( 19.779 -6.124 -4.676) 21.227 28.463 ( -19.219 4.147 3.477) 19.967 28.500 ( -18.579 3.346 1.844) 18.967 28.615 ( -23.288 -2.951 2.935) 23.657 28.669 ( -21.253 -5.171 -0.094) 21.873 29.424 ( 18.176 7.650 8.009) 21.285 29.503 ( 13.782 3.196 10.206) 17.445 29.676 ( 10.446 -1.625 10.247) 14.722 29.731 ( 18.345 -8.962 13.004) 24.207 30.041 ( 3.069 5.936 0.730) 6.722 30.141 ( 4.170 -1.155 -0.407) 4.346 30.154 ( 4.110 -0.740 -1.016) 4.299 30.182 ( 5.445 -1.061 -0.763) 5.599 30.280 ( 5.046 1.954 -0.526) 5.437 30.348 ( 6.367 -2.953 -3.276) 7.745 30.394 ( 5.260 4.612 -4.243) 8.182 30.660 ( 3.681 -12.681 -5.862) 14.448 31.182 ( -11.634 2.507 -0.224) 11.903 31.216 ( -12.180 1.725 -1.272) 12.367 31.241 ( -12.769 0.715 -2.413) 13.015 31.451 ( -11.018 -15.872 -7.766) 20.824 31.822 ( 10.485 3.069 4.544) 11.832 31.859 ( 11.751 7.215 2.088) 13.947 31.886 ( 12.342 -2.986 3.072) 13.064 32.096 ( 7.893 -17.896 -5.707) 20.375 32.650 ( -3.051 9.835 -0.185) 10.299 32.667 ( -2.757 4.599 -0.827) 5.425 32.783 ( -3.169 -6.566 1.757) 7.500 32.853 ( -3.548 -9.364 -1.394) 10.110 35.243 ( 2.656 3.269 2.409) 4.852 35.314 ( 3.784 -3.189 2.213) 5.420 35.383 ( 3.078 3.083 -3.968) 5.893 35.455 ( 4.444 -3.268 -4.172) 6.916 35.500 ( -0.939 7.543 4.908) 9.048 35.661 ( -0.993 -6.789 5.451) 8.763 35.773 ( -2.262 8.543 -5.445) 10.380 35.849 ( 1.984 2.987 0.166) 3.590 35.977 ( 7.162 -1.001 1.650) 7.418 35.992 ( 2.686 -3.818 -0.318) 4.679 36.104 ( 4.672 1.052 -5.874) 7.579 36.208 ( 4.719 -5.682 -6.836) 10.064 36.825 ( -7.945 26.983 19.732) 34.360 37.269 ( -10.341 -14.032 16.322) 23.879 37.735 ( -21.559 14.306 -20.632) 33.093 37.977 ( -16.017 -8.744 -14.038) 23.023 ======================= Grid point 51 (23/36) ======================= q-point: ( 0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 12.397 12.132 6.073) 18.378 1.534 ( 11.156 7.222 10.125) 16.708 1.585 ( 7.259 -13.455 2.746) 15.532 1.690 ( 8.895 4.570 -0.505) 10.013 1.743 ( 3.834 -6.130 0.176) 7.232 1.864 ( 7.325 0.981 -1.028) 7.461 1.917 ( 1.697 -5.460 -5.663) 8.048 1.923 ( 8.486 -6.542 0.104) 10.715 2.121 ( -1.009 2.706 6.138) 6.783 2.196 ( 0.999 -2.526 7.925) 8.378 2.293 ( 8.178 7.285 0.048) 10.952 2.318 ( -4.589 2.510 0.744) 5.283 2.374 ( 0.981 0.634 -1.961) 2.282 2.393 ( -3.552 -2.429 1.777) 4.656 2.454 ( 6.185 5.290 3.041) 8.688 2.527 ( 5.128 -1.571 -1.734) 5.636 2.565 ( -0.422 -0.244 4.713) 4.738 2.608 ( 4.908 1.048 4.417) 6.686 2.764 ( 10.926 4.071 -2.500) 11.924 2.808 ( 7.467 2.068 -2.098) 8.027 2.810 ( 12.097 -2.769 -4.629) 13.245 2.893 ( 9.294 -1.145 -1.490) 9.482 2.925 ( 8.449 -4.325 -0.209) 9.494 2.992 ( 5.910 -5.017 0.597) 7.775 3.159 ( 5.429 0.500 3.005) 6.226 3.198 ( -0.330 0.748 0.399) 0.909 3.215 ( 6.205 -1.291 4.588) 7.824 3.274 ( 6.704 -0.845 2.930) 7.365 3.320 ( -3.771 -0.839 4.815) 6.173 3.343 ( -0.409 -1.696 3.356) 3.782 3.397 ( 9.997 -0.720 -0.734) 10.050 3.437 ( -0.081 2.450 -0.539) 2.510 3.484 ( 6.333 -5.694 -3.039) 9.043 3.518 ( -1.375 -4.080 -0.409) 4.325 3.650 ( -1.186 2.733 -5.912) 6.621 3.700 ( -2.399 -0.235 -4.946) 5.502 3.734 ( 0.291 2.598 1.298) 2.919 3.761 ( 0.071 -0.402 0.106) 0.422 3.789 ( 1.521 2.807 -1.491) 3.524 3.854 ( 0.112 -3.224 -0.616) 3.284 4.051 ( 0.872 -1.707 2.403) 3.073 4.070 ( 1.221 -3.685 2.308) 4.517 4.215 ( -4.836 8.490 -4.360) 10.699 4.290 ( -4.535 1.864 -4.341) 6.549 4.341 ( -1.137 -0.477 -5.588) 5.722 4.386 ( -3.913 -2.358 3.412) 5.702 4.521 ( -6.341 0.479 -4.502) 7.791 4.547 ( -4.472 0.633 -3.451) 5.684 4.650 ( -3.250 1.137 8.208) 8.900 4.686 ( -3.595 -1.311 4.728) 6.082 4.778 ( -5.611 3.983 1.202) 6.985 4.851 ( -4.670 -2.038 -0.013) 5.095 4.991 ( -5.062 1.831 1.518) 5.593 5.026 ( -3.813 -0.052 4.443) 5.856 5.032 ( -3.382 0.075 -0.325) 3.398 5.086 ( -6.785 -3.081 0.533) 7.470 5.399 ( -1.435 4.540 -1.497) 4.991 5.460 ( 0.621 2.405 -1.097) 2.715 5.507 ( -4.349 -5.261 -1.220) 6.934 5.526 ( -3.824 -3.856 -0.625) 5.466 5.715 ( 2.045 4.701 -0.033) 5.126 5.808 ( 2.050 -3.297 -2.463) 4.598 5.943 ( -2.645 1.059 -9.807) 10.212 5.960 ( -2.640 -1.046 -6.912) 7.473 6.232 ( 3.054 1.663 5.941) 6.884 6.256 ( 4.176 -1.213 4.944) 6.585 6.357 ( 2.942 2.758 1.408) 4.271 6.429 ( 2.038 -3.960 0.429) 4.474 6.558 ( 3.102 5.967 3.834) 7.741 6.663 ( 2.790 -3.287 0.135) 4.313 6.797 ( 0.077 2.974 -4.383) 5.297 6.844 ( -0.052 -1.444 -6.260) 6.425 8.146 ( 3.145 2.084 0.079) 3.774 8.184 ( 3.411 0.291 0.066) 3.424 8.216 ( 2.314 -0.541 -0.669) 2.469 8.252 ( 3.727 -2.090 -1.001) 4.389 8.333 ( 0.205 1.995 3.111) 3.702 8.354 ( -0.067 1.356 2.698) 3.020 8.392 ( 0.113 -1.574 3.208) 3.575 8.414 ( 0.754 -2.192 1.936) 3.021 8.978 ( -5.211 1.046 -2.045) 5.695 8.990 ( -5.498 0.859 -2.474) 6.090 9.010 ( -4.268 -0.135 -1.988) 4.710 9.050 ( -5.169 -2.332 -4.019) 6.951 9.208 ( -8.665 2.056 0.460) 8.918 9.227 ( -9.517 2.483 -0.029) 9.835 9.264 ( -8.741 -3.138 0.913) 9.332 9.301 ( -10.641 -3.967 -0.728) 11.380 9.931 ( 2.744 0.925 2.553) 3.861 9.956 ( 2.143 -0.946 3.825) 4.485 9.986 ( 2.768 0.331 4.008) 4.882 10.009 ( 1.913 -1.391 4.355) 4.956 10.121 ( 3.004 2.045 -2.648) 4.496 10.161 ( 3.568 -1.494 -4.217) 5.722 10.235 ( 0.961 2.467 -3.780) 4.615 10.286 ( 0.605 -2.212 -5.383) 5.851 10.694 ( -3.102 3.302 -0.136) 4.533 10.731 ( -3.515 2.274 0.486) 4.215 10.767 ( -2.653 -3.455 0.626) 4.401 10.771 ( -4.429 -1.626 1.171) 4.861 10.846 ( -6.830 2.740 0.596) 7.383 10.901 ( -6.603 -2.304 -0.607) 7.020 10.986 ( -8.337 0.870 -4.464) 9.497 11.004 ( -9.250 -0.818 -4.066) 10.137 11.858 ( 2.719 2.930 -0.393) 4.017 11.901 ( 1.929 1.100 -0.424) 2.261 11.944 ( 3.438 -0.862 -1.018) 3.688 11.969 ( 5.264 -1.452 -0.193) 5.464 12.025 ( -0.848 0.820 4.327) 4.485 12.075 ( 0.692 -3.061 0.746) 3.226 12.190 ( 1.928 1.381 -3.539) 4.260 12.204 ( 0.190 0.474 -2.591) 2.641 12.316 ( -1.127 -0.357 2.109) 2.417 12.325 ( -0.121 -1.321 -0.085) 1.329 12.393 ( 2.093 -0.049 -0.645) 2.191 12.408 ( -0.300 -0.848 -0.151) 0.913 12.632 ( -3.391 1.115 3.272) 4.842 12.654 ( -3.584 -1.206 2.131) 4.341 12.743 ( -4.483 1.703 -1.689) 5.084 12.778 ( -5.326 -1.598 -3.078) 6.356 13.197 ( 11.289 0.734 10.795) 15.637 13.210 ( 11.540 -0.493 10.291) 15.470 13.611 ( 9.291 0.046 -7.849) 12.163 13.616 ( 9.346 -0.403 -7.919) 12.256 13.933 ( -9.056 0.956 10.408) 13.829 13.943 ( -8.411 -0.076 9.327) 12.559 14.205 ( -4.899 1.486 -1.806) 5.429 14.225 ( -4.668 -0.454 -2.563) 5.345 14.826 ( 10.763 2.401 0.318) 11.033 14.854 ( 10.011 1.862 -0.306) 10.187 14.909 ( 10.287 -0.665 -1.042) 10.361 14.965 ( 7.835 -3.694 -2.684) 9.068 15.026 ( 6.773 8.074 2.203) 10.766 15.103 ( 0.999 6.665 -1.433) 6.891 15.206 ( 1.105 -7.796 1.771) 8.071 15.264 ( 2.700 -9.067 -0.711) 9.487 15.881 ( 6.325 0.225 0.956) 6.401 15.888 ( 5.659 -0.436 0.561) 5.704 15.934 ( 8.008 1.737 -1.623) 8.354 15.975 ( 9.150 -2.144 -2.811) 9.809 16.280 ( -2.706 0.265 1.410) 3.063 16.289 ( -2.492 -0.509 1.099) 2.771 16.332 ( -0.708 1.384 -0.740) 1.722 16.396 ( 1.744 -5.309 -3.029) 6.357 16.965 ( 1.470 0.552 1.001) 1.863 16.972 ( 1.554 0.381 0.931) 1.851 16.988 ( 2.033 -0.639 0.856) 2.296 17.003 ( 2.182 -1.714 0.127) 2.778 17.150 ( 1.731 1.574 1.013) 2.549 17.166 ( 1.767 0.261 0.216) 1.799 17.196 ( 1.346 1.949 -0.551) 2.432 17.232 ( 0.988 -1.313 -1.700) 2.364 19.706 ( 8.900 2.315 0.927) 9.243 19.756 ( 6.217 1.181 -1.219) 6.445 19.774 ( 9.991 -4.251 0.621) 10.875 19.803 ( 8.230 -3.790 -0.640) 9.083 20.644 ( -17.351 4.634 0.263) 17.961 20.659 ( -17.330 4.553 -0.357) 17.922 20.740 ( -17.236 -4.452 0.370) 17.806 20.758 ( -16.898 -4.902 -0.414) 17.599 22.354 ( 17.059 6.892 1.261) 18.442 22.428 ( 14.898 6.872 -1.989) 16.526 22.489 ( 16.059 -5.459 1.316) 17.012 22.553 ( 14.776 -4.804 -1.527) 15.612 23.154 ( -8.547 4.589 -0.347) 9.708 23.179 ( -8.818 4.463 -1.828) 10.051 23.248 ( -7.610 -4.217 -0.109) 8.701 23.268 ( -8.242 -3.927 -1.162) 9.203 26.736 ( 17.002 1.773 1.866) 17.196 26.780 ( 17.714 -2.365 3.354) 18.184 26.848 ( 19.069 6.120 -3.184) 20.278 27.019 ( 20.632 -10.360 -8.384) 24.562 28.044 ( -22.214 5.042 1.484) 22.827 28.078 ( -21.272 4.737 1.222) 21.828 28.157 ( -22.619 -5.521 1.612) 23.339 28.198 ( -23.065 -5.989 1.234) 23.862 29.728 ( 11.777 7.724 9.356) 16.908 29.791 ( 12.013 9.307 6.471) 16.517 29.893 ( 11.386 -3.984 9.600) 15.417 30.034 ( 10.502 -2.615 6.007) 12.378 30.148 ( 7.663 6.858 0.429) 10.292 30.250 ( 5.951 1.520 0.327) 6.151 30.282 ( 8.184 -3.557 -2.763) 9.341 30.319 ( 7.312 -1.377 -0.997) 7.507 30.407 ( 6.585 3.405 0.143) 7.415 30.497 ( 4.989 -5.587 -2.177) 7.800 30.502 ( 7.050 -0.298 -4.708) 8.483 30.728 ( 2.136 -10.129 -2.766) 10.714 30.934 ( -12.161 2.478 -0.574) 12.425 30.968 ( -11.248 2.113 -1.182) 11.505 30.991 ( -11.806 -1.787 -1.175) 11.998 31.212 ( -11.768 -20.492 -9.354) 25.415 32.032 ( 9.987 5.154 3.409) 11.743 32.088 ( 10.454 5.084 0.630) 11.642 32.135 ( 11.449 -3.809 2.555) 12.333 32.250 ( 6.852 -9.622 -2.807) 12.141 32.564 ( -5.050 9.068 -0.061) 10.380 32.590 ( -4.553 4.416 -0.894) 6.406 32.694 ( -5.369 -5.429 1.265) 7.739 32.751 ( -6.365 -8.475 -1.171) 10.663 35.311 ( 3.733 4.520 2.650) 6.434 35.408 ( 4.893 -3.316 2.215) 6.313 35.466 ( 3.372 3.733 -1.545) 5.262 35.477 ( 0.390 6.840 1.879) 7.104 35.572 ( 6.395 -4.705 -4.573) 9.162 35.634 ( -1.734 -5.936 4.639) 7.731 35.728 ( -2.324 8.068 -5.949) 10.290 35.878 ( -0.315 -1.252 -3.955) 4.160 36.045 ( 4.207 3.207 0.695) 5.336 36.162 ( 9.103 0.538 2.149) 9.369 36.230 ( 9.794 0.218 -1.970) 9.993 36.394 ( 11.474 -6.820 -4.290) 14.020 36.631 ( -9.446 21.957 13.826) 27.613 36.988 ( -16.241 -0.528 9.054) 18.602 37.267 ( -22.221 5.986 -7.674) 24.259 37.572 ( -22.182 -13.974 -9.845) 28.004 ======================= Grid point 52 (24/36) ======================= q-point: ( 0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 12.594 6.483 6.126) 15.433 1.697 ( 3.749 2.075 7.613) 8.737 1.761 ( 5.332 -5.915 1.615) 8.126 1.800 ( 4.317 2.884 4.148) 6.645 1.832 ( 0.406 0.328 2.848) 2.895 1.903 ( 0.103 -1.710 1.209) 2.097 1.931 ( -0.377 -0.998 1.884) 2.165 1.987 ( -1.621 -8.745 4.292) 9.875 2.153 ( -0.408 0.638 5.132) 5.187 2.170 ( -3.223 1.216 6.015) 6.931 2.214 ( 0.397 -2.212 4.142) 4.712 2.260 ( -3.357 -4.347 2.432) 6.007 2.402 ( 3.456 4.999 -6.417) 8.838 2.433 ( 2.058 2.651 -3.609) 4.928 2.500 ( 0.755 -0.066 -7.173) 7.213 2.546 ( -2.116 -2.838 -5.188) 6.281 2.675 ( 10.411 5.269 7.618) 13.935 2.778 ( 9.437 -1.372 3.913) 10.308 2.873 ( -1.684 2.013 3.474) 4.354 2.949 ( -4.242 -2.125 1.956) 5.132 2.988 ( 2.885 0.431 0.530) 2.964 3.039 ( -1.202 2.014 1.169) 2.621 3.092 ( 0.462 -0.390 0.353) 0.701 3.126 ( 2.450 -4.196 -0.842) 4.932 3.160 ( 12.017 -2.162 -0.313) 12.214 3.190 ( 5.468 0.483 -3.818) 6.686 3.209 ( 3.541 2.948 0.758) 4.669 3.320 ( -2.383 -0.356 -2.164) 3.239 3.342 ( 2.626 -1.315 1.782) 3.435 3.394 ( -1.447 -2.026 3.455) 4.259 3.413 ( -3.268 0.524 -2.098) 3.919 3.443 ( -3.016 -2.202 -1.968) 4.221 3.544 ( -0.334 0.190 -3.863) 3.882 3.563 ( 1.198 0.062 0.556) 1.322 3.639 ( 0.560 -5.074 3.240) 6.046 3.666 ( 1.198 -2.815 -1.242) 3.302 3.800 ( 4.304 2.371 -1.158) 5.049 3.805 ( 5.518 3.286 1.584) 6.615 3.886 ( 3.446 0.757 0.204) 3.534 3.901 ( 2.322 -1.569 -2.636) 3.848 4.100 ( 2.006 1.785 -1.660) 3.156 4.126 ( -0.059 4.300 -1.401) 4.523 4.148 ( 2.986 1.969 -3.116) 4.743 4.231 ( -1.735 -1.228 -5.654) 6.040 4.311 ( -2.757 -0.370 0.415) 2.812 4.325 ( -0.441 0.570 -4.244) 4.305 4.382 ( -4.093 -2.972 -6.192) 7.995 4.435 ( -5.673 -2.701 -4.110) 7.508 4.616 ( 0.247 3.172 7.699) 8.331 4.651 ( -2.114 2.945 6.386) 7.343 4.696 ( -0.146 -1.562 5.243) 5.473 4.753 ( -4.495 -3.684 4.065) 7.092 4.915 ( -0.651 1.577 -0.160) 1.714 4.945 ( -2.670 -0.875 0.070) 2.810 4.972 ( -2.780 -0.433 -0.392) 2.840 4.992 ( -4.133 -2.310 -1.364) 4.927 5.341 ( -1.220 3.001 3.131) 4.505 5.388 ( -4.754 0.502 3.241) 5.775 5.419 ( -3.338 -1.691 1.674) 4.099 5.426 ( -3.310 -1.929 2.031) 4.336 5.791 ( 4.562 4.105 -5.216) 8.054 5.857 ( 1.155 -0.460 -7.111) 7.219 5.892 ( -2.432 0.051 -7.952) 8.315 5.918 ( -2.256 -1.313 -9.549) 9.899 6.321 ( 4.743 3.372 8.053) 9.936 6.362 ( 2.884 1.995 5.137) 6.220 6.411 ( 2.773 -2.043 5.593) 6.569 6.461 ( -0.123 -4.291 3.059) 5.272 6.653 ( 6.075 4.899 -1.065) 7.876 6.730 ( 3.721 -1.959 -3.402) 5.409 6.763 ( -3.585 2.896 -3.382) 5.717 6.808 ( -3.227 -1.005 -5.613) 6.552 8.221 ( 3.807 1.319 1.790) 4.408 8.250 ( 2.508 0.004 2.995) 3.906 8.260 ( 1.313 -0.010 2.308) 2.655 8.291 ( -1.332 -1.268 3.235) 3.721 8.340 ( 1.729 1.141 -0.275) 2.090 8.364 ( 0.930 0.334 -0.881) 1.324 8.380 ( -0.816 -0.573 -0.041) 0.998 8.408 ( -1.436 -1.904 -0.180) 2.391 8.913 ( -0.962 1.718 -1.357) 2.391 8.920 ( -0.532 1.130 -1.668) 2.084 8.940 ( -2.893 0.661 -1.867) 3.506 8.962 ( -3.551 -0.705 -2.140) 4.206 9.060 ( -3.242 0.501 0.530) 3.323 9.078 ( -3.862 -0.852 0.227) 3.961 9.103 ( -5.728 -2.934 0.062) 6.436 9.113 ( -6.619 -2.984 -0.212) 7.263 9.985 ( 2.485 0.798 1.536) 3.028 10.002 ( 1.683 0.116 2.145) 2.729 10.022 ( 0.784 -1.003 1.479) 1.951 10.036 ( 0.190 -1.443 1.408) 2.025 10.189 ( 3.324 2.524 -1.563) 4.457 10.227 ( 1.416 0.994 -2.937) 3.409 10.252 ( 1.099 -0.687 -2.945) 3.217 10.289 ( -0.926 -2.160 -4.066) 4.696 10.644 ( -1.061 3.061 1.983) 3.798 10.666 ( -2.970 1.526 3.511) 4.845 10.694 ( -2.098 -1.123 1.377) 2.750 10.706 ( -2.937 -2.680 1.449) 4.232 10.766 ( -0.061 2.426 -2.115) 3.219 10.813 ( -1.743 -1.594 -2.796) 3.660 10.835 ( -5.567 0.419 -3.271) 6.471 10.852 ( -4.724 -0.911 -3.699) 6.069 11.914 ( 2.663 3.331 1.265) 4.448 11.932 ( 1.070 2.514 1.815) 3.280 11.984 ( 0.230 0.866 2.153) 2.331 12.008 ( -0.778 -3.103 2.373) 3.983 12.068 ( 3.168 0.263 -1.936) 3.722 12.101 ( 1.552 0.271 -4.066) 4.361 12.157 ( -1.070 -1.830 -2.479) 3.262 12.198 ( -3.137 -3.445 -4.056) 6.177 12.363 ( 4.460 1.783 2.336) 5.341 12.393 ( 5.520 -1.069 1.747) 5.888 12.429 ( 1.370 1.248 2.767) 3.331 12.455 ( 1.784 -1.361 2.105) 3.076 12.570 ( -1.864 -0.132 -0.586) 1.958 12.572 ( -1.350 -0.347 -1.330) 1.927 12.632 ( -6.250 1.204 -2.055) 6.689 12.657 ( -6.145 -1.067 -3.237) 7.026 13.440 ( 12.422 1.065 10.451) 16.268 13.458 ( 12.613 -0.666 9.581) 15.853 13.681 ( -9.863 0.821 8.234) 12.875 13.698 ( -9.122 -0.833 6.687) 11.341 13.853 ( 8.384 1.135 -3.831) 9.287 13.867 ( 8.927 -0.055 -4.540) 10.015 14.056 ( -9.401 1.252 -4.461) 10.481 14.075 ( -9.638 -0.567 -5.222) 10.977 14.993 ( 5.441 3.484 0.433) 6.476 15.018 ( 6.007 3.333 -0.700) 6.905 15.059 ( 0.429 3.804 0.212) 3.834 15.076 ( 3.960 -1.866 -0.114) 4.379 15.115 ( 5.729 -1.387 -0.752) 5.942 15.121 ( 0.601 3.124 -0.150) 3.185 15.179 ( -2.773 -4.772 1.451) 5.707 15.239 ( -4.419 -5.433 -1.031) 7.078 16.027 ( 7.913 0.766 1.483) 8.087 16.041 ( 8.054 -0.597 2.281) 8.392 16.112 ( 7.692 1.944 -1.626) 8.099 16.154 ( 2.563 -1.815 -0.667) 3.211 16.196 ( -3.632 0.513 1.040) 3.812 16.220 ( -0.075 -1.664 -0.846) 1.868 16.277 ( -5.185 2.714 -2.305) 6.289 16.356 ( -5.750 -4.832 -4.409) 8.709 16.985 ( 0.589 0.369 1.494) 1.648 16.988 ( 0.262 0.350 1.408) 1.475 17.008 ( 0.446 -1.375 0.900) 1.702 17.016 ( -0.247 -1.842 0.462) 1.915 17.196 ( 1.974 2.155 0.543) 2.973 17.209 ( 1.081 2.091 -0.100) 2.356 17.226 ( 1.665 0.055 -0.423) 1.719 17.247 ( 0.016 -0.766 -1.220) 1.441 19.917 ( 10.993 2.492 0.409) 11.280 19.934 ( 10.231 1.722 -0.316) 10.379 19.989 ( 8.754 -4.454 0.289) 9.826 19.997 ( 7.589 -4.428 -0.045) 8.786 20.344 ( -9.503 2.960 -0.041) 9.954 20.349 ( -10.819 3.622 -0.237) 11.412 20.416 ( -13.727 -3.745 0.334) 14.233 20.436 ( -13.950 -4.809 -0.546) 14.766 22.681 ( 14.872 5.944 0.578) 16.026 22.712 ( 12.789 6.429 -0.688) 14.330 22.798 ( 14.074 -4.987 0.804) 14.953 22.832 ( 12.372 -4.820 -0.665) 13.295 22.961 ( -10.395 5.508 -0.598) 11.779 22.967 ( -11.802 5.089 -1.046) 12.895 23.067 ( -11.290 -4.369 -0.446) 12.114 23.069 ( -10.124 -4.566 -0.419) 11.114 27.124 ( 20.663 2.126 2.337) 20.903 27.176 ( 21.031 -2.790 3.728) 21.540 27.240 ( 18.846 6.411 -2.719) 20.091 27.399 ( 15.208 -8.280 -6.314) 18.432 27.589 ( -20.668 3.321 1.994) 21.028 27.662 ( -21.388 2.111 0.482) 21.497 27.670 ( -20.988 -1.206 0.388) 21.027 27.793 ( -18.113 -6.948 -3.037) 19.636 29.908 ( 5.635 9.724 8.176) 13.898 29.940 ( 2.792 12.289 8.032) 14.944 30.101 ( 7.592 -4.856 6.467) 11.093 30.163 ( 2.025 0.240 3.149) 3.751 30.309 ( 6.370 6.557 0.014) 9.142 30.352 ( 2.563 1.242 1.579) 3.257 30.441 ( 6.262 -3.039 -1.312) 7.083 30.462 ( 6.565 -1.405 0.205) 6.717 30.536 ( 5.888 0.572 -0.531) 5.940 30.566 ( 2.783 2.212 -2.029) 4.094 30.605 ( 1.119 -2.052 -0.882) 2.498 30.694 ( -5.527 -3.393 -0.064) 6.485 30.718 ( -8.564 2.240 -1.668) 9.008 30.772 ( -9.242 -2.185 -1.026) 9.552 30.848 ( 2.812 -11.738 -7.021) 13.963 30.993 ( -9.550 -21.049 -10.057) 25.207 32.220 ( 8.311 5.964 2.416) 10.511 32.271 ( 7.242 3.862 0.601) 8.229 32.320 ( 4.259 -2.095 1.812) 5.080 32.341 ( 0.131 -0.835 0.928) 1.255 32.486 ( 0.126 2.890 -0.835) 3.011 32.510 ( -1.325 1.589 -1.237) 2.411 32.576 ( -5.962 -3.913 0.196) 7.134 32.605 ( -7.616 -6.411 -0.856) 9.991 35.382 ( 3.144 5.969 3.135) 7.439 35.434 ( -1.925 7.043 3.610) 8.145 35.510 ( 4.097 -4.235 2.737) 6.497 35.563 ( 2.111 1.830 -2.323) 3.633 35.596 ( -0.168 -2.285 1.193) 2.583 35.659 ( -2.328 5.600 -5.591) 8.248 35.715 ( 5.121 -5.693 -4.984) 9.137 35.823 ( -4.574 -6.204 -5.831) 9.665 36.176 ( 8.398 13.153 5.142) 16.431 36.358 ( 4.124 14.258 1.889) 14.962 36.372 ( -2.451 14.613 5.384) 15.766 36.482 ( 10.969 -4.060 0.507) 11.707 36.672 ( -10.602 7.698 3.684) 13.610 36.743 ( 15.958 -12.315 -3.571) 20.471 36.860 ( -17.981 -5.736 0.899) 18.895 37.128 ( -20.886 -15.671 -6.400) 26.884 ======================= Grid point 70 (25/36) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.000 0.000 -23.533) 23.533 0.857 ( 0.000 0.000 23.533) 23.533 1.058 ( 0.000 0.000 -26.825) 26.825 1.058 ( 0.000 0.000 26.825) 26.825 1.826 ( 0.000 0.000 -9.728) 9.728 1.826 ( 0.000 0.000 9.728) 9.728 2.057 ( 0.000 0.000 -32.590) 32.590 2.057 ( 0.000 0.000 32.590) 32.590 2.113 ( 0.000 0.000 -4.479) 4.479 2.113 ( 0.000 0.000 4.479) 4.479 2.116 ( 0.000 0.000 -13.410) 13.410 2.116 ( 0.000 0.000 13.410) 13.410 2.266 ( 0.000 0.000 -2.669) 2.669 2.266 ( 0.000 0.000 2.669) 2.669 2.336 ( 0.000 0.000 -1.906) 1.906 2.336 ( 0.000 0.000 1.906) 1.906 2.577 ( 0.000 0.000 -8.666) 8.666 2.577 ( 0.000 0.000 8.666) 8.666 2.715 ( 0.000 0.000 -13.274) 13.274 2.715 ( 0.000 0.000 13.274) 13.274 2.731 ( 0.000 0.000 -1.365) 1.365 2.731 ( 0.000 0.000 1.365) 1.365 2.799 ( 0.000 0.000 -0.050) 0.050 2.799 ( 0.000 0.000 0.050) 0.050 3.009 ( 0.000 0.000 -4.017) 4.017 3.009 ( 0.000 0.000 4.017) 4.017 3.069 ( 0.000 0.000 -4.749) 4.749 3.069 ( 0.000 0.000 4.749) 4.749 3.256 ( 0.000 0.000 -5.389) 5.389 3.256 ( 0.000 0.000 5.389) 5.389 3.501 ( 0.000 0.000 -8.633) 8.633 3.501 ( 0.000 0.000 8.633) 8.633 3.547 ( 0.000 0.000 -6.360) 6.360 3.547 ( 0.000 0.000 6.360) 6.360 3.622 ( 0.000 0.000 -0.024) 0.024 3.622 ( 0.000 0.000 0.024) 0.024 3.746 ( 0.000 0.000 -6.331) 6.331 3.746 ( 0.000 0.000 6.331) 6.331 3.887 ( 0.000 0.000 -9.170) 9.170 3.887 ( 0.000 0.000 9.170) 9.170 4.117 ( 0.000 0.000 -5.549) 5.549 4.117 ( 0.000 0.000 5.549) 5.549 4.224 ( 0.000 0.000 -5.200) 5.200 4.224 ( 0.000 0.000 5.200) 5.200 4.452 ( 0.000 0.000 -0.731) 0.731 4.452 ( 0.000 0.000 0.731) 0.731 4.659 ( 0.000 0.000 -5.113) 5.113 4.659 ( 0.000 0.000 5.113) 5.113 4.705 ( 0.000 0.000 -2.827) 2.827 4.705 ( 0.000 0.000 2.827) 2.827 4.859 ( 0.000 0.000 -3.630) 3.630 4.859 ( 0.000 0.000 3.630) 3.630 4.996 ( 0.000 0.000 -8.318) 8.318 4.996 ( 0.000 0.000 8.318) 8.318 5.074 ( 0.000 0.000 -0.465) 0.465 5.074 ( 0.000 0.000 0.465) 0.465 5.444 ( 0.000 0.000 -14.364) 14.364 5.444 ( 0.000 0.000 14.364) 14.364 5.503 ( 0.000 0.000 -1.918) 1.918 5.503 ( 0.000 0.000 1.918) 1.918 6.034 ( 0.000 0.000 -21.841) 21.841 6.034 ( 0.000 0.000 21.841) 21.841 6.185 ( 0.000 0.000 -1.296) 1.296 6.185 ( 0.000 0.000 1.296) 1.296 6.210 ( 0.000 0.000 -0.768) 0.768 6.210 ( 0.000 0.000 0.768) 0.768 6.356 ( 0.000 0.000 -0.940) 0.940 6.356 ( 0.000 0.000 0.940) 0.940 6.562 ( 0.000 0.000 -2.714) 2.714 6.562 ( 0.000 0.000 2.714) 2.714 6.640 ( 0.000 0.000 -6.384) 6.384 6.640 ( 0.000 0.000 6.384) 6.384 8.057 ( 0.000 0.000 -2.897) 2.897 8.057 ( 0.000 0.000 2.897) 2.897 8.126 ( 0.000 0.000 -2.947) 2.947 8.126 ( 0.000 0.000 2.947) 2.947 8.302 ( 0.000 0.000 -1.281) 1.281 8.302 ( 0.000 0.000 1.281) 1.281 8.553 ( 0.000 0.000 -1.681) 1.681 8.553 ( 0.000 0.000 1.681) 1.681 9.114 ( 0.000 0.000 -2.977) 2.977 9.114 ( 0.000 0.000 2.977) 2.977 9.178 ( 0.000 0.000 -0.918) 0.918 9.178 ( 0.000 0.000 0.918) 0.918 9.338 ( 0.000 0.000 -1.577) 1.577 9.338 ( 0.000 0.000 1.577) 1.577 9.638 ( 0.000 0.000 -4.833) 4.833 9.638 ( 0.000 0.000 4.833) 4.833 9.879 ( 0.000 0.000 -7.417) 7.417 9.879 ( 0.000 0.000 7.417) 7.417 9.927 ( 0.000 0.000 -3.270) 3.270 9.927 ( 0.000 0.000 3.270) 3.270 10.128 ( 0.000 0.000 -6.829) 6.829 10.128 ( 0.000 0.000 6.829) 6.829 10.179 ( 0.000 0.000 -10.929) 10.929 10.179 ( 0.000 0.000 10.929) 10.929 10.758 ( 0.000 0.000 -2.796) 2.796 10.758 ( 0.000 0.000 2.796) 2.796 10.868 ( 0.000 0.000 -0.891) 0.891 10.868 ( 0.000 0.000 0.891) 0.891 11.140 ( 0.000 0.000 -6.781) 6.781 11.140 ( 0.000 0.000 6.781) 6.781 11.232 ( 0.000 0.000 -2.787) 2.787 11.232 ( 0.000 0.000 2.787) 2.787 11.771 ( 0.000 0.000 -0.082) 0.082 11.771 ( 0.000 0.000 0.082) 0.082 11.823 ( 0.000 0.000 -2.826) 2.826 11.823 ( 0.000 0.000 2.826) 2.826 12.158 ( 0.000 0.000 -1.870) 1.870 12.158 ( 0.000 0.000 1.870) 1.870 12.169 ( 0.000 0.000 -2.928) 2.928 12.169 ( 0.000 0.000 2.928) 2.928 12.411 ( 0.000 0.000 -0.073) 0.073 12.411 ( 0.000 0.000 0.073) 0.073 12.488 ( 0.000 0.000 -0.595) 0.595 12.488 ( 0.000 0.000 0.595) 0.595 12.766 ( 0.000 0.000 -0.043) 0.043 12.766 ( 0.000 0.000 0.043) 0.043 12.799 ( 0.000 0.000 -9.888) 9.888 12.799 ( 0.000 0.000 9.888) 9.888 13.149 ( 0.000 0.000 -14.397) 14.397 13.149 ( 0.000 0.000 14.397) 14.397 13.226 ( 0.000 0.000 -14.536) 14.536 13.226 ( 0.000 0.000 14.536) 14.536 14.157 ( 0.000 0.000 -5.159) 5.159 14.157 ( 0.000 0.000 5.159) 5.159 14.260 ( 0.000 0.000 -3.863) 3.863 14.260 ( 0.000 0.000 3.863) 3.863 14.445 ( 0.000 0.000 -0.271) 0.271 14.445 ( 0.000 0.000 0.271) 0.271 14.477 ( 0.000 0.000 -2.024) 2.024 14.477 ( 0.000 0.000 2.024) 2.024 14.791 ( 0.000 0.000 -10.019) 10.019 14.791 ( 0.000 0.000 10.019) 10.019 15.339 ( 0.000 0.000 -4.182) 4.182 15.339 ( 0.000 0.000 4.182) 4.182 15.737 ( 0.000 0.000 -2.088) 2.088 15.737 ( 0.000 0.000 2.088) 2.088 16.035 ( 0.000 0.000 -0.187) 0.187 16.035 ( 0.000 0.000 0.187) 0.187 16.284 ( 0.000 0.000 -1.855) 1.855 16.284 ( 0.000 0.000 1.855) 1.855 16.347 ( 0.000 0.000 -0.486) 0.486 16.347 ( 0.000 0.000 0.486) 0.486 16.855 ( 0.000 0.000 -0.015) 0.015 16.855 ( 0.000 0.000 0.015) 0.015 16.872 ( 0.000 0.000 -1.012) 1.012 16.872 ( 0.000 0.000 1.012) 1.012 17.149 ( 0.000 0.000 -0.903) 0.903 17.149 ( 0.000 0.000 0.903) 0.903 17.206 ( 0.000 0.000 -3.835) 3.835 17.206 ( 0.000 0.000 3.835) 3.835 19.571 ( 0.000 0.000 -4.413) 4.413 19.571 ( 0.000 0.000 4.413) 4.413 19.704 ( 0.000 0.000 -2.601) 2.601 19.704 ( 0.000 0.000 2.601) 2.601 21.176 ( 0.000 0.000 -0.740) 0.740 21.176 ( 0.000 0.000 0.740) 0.740 21.376 ( 0.000 0.000 -0.258) 0.258 21.376 ( 0.000 0.000 0.258) 0.258 21.488 ( 0.000 0.000 -1.355) 1.355 21.488 ( 0.000 0.000 1.355) 1.355 22.154 ( 0.000 0.000 -1.670) 1.670 22.154 ( 0.000 0.000 1.670) 1.670 23.329 ( 0.000 0.000 -0.411) 0.411 23.329 ( 0.000 0.000 0.411) 0.411 23.503 ( 0.000 0.000 -0.287) 0.287 23.503 ( 0.000 0.000 0.287) 0.287 26.346 ( 0.000 0.000 -0.066) 0.066 26.346 ( 0.000 0.000 0.066) 0.066 26.354 ( 0.000 0.000 -0.247) 0.247 26.354 ( 0.000 0.000 0.247) 0.247 28.797 ( 0.000 0.000 -9.259) 9.259 28.797 ( 0.000 0.000 9.259) 9.259 28.803 ( 0.000 0.000 -9.715) 9.715 28.803 ( 0.000 0.000 9.715) 9.715 28.989 ( 0.000 0.000 -1.143) 1.143 28.989 ( 0.000 0.000 1.143) 1.143 30.003 ( 0.000 0.000 -18.208) 18.208 30.003 ( 0.000 0.000 18.208) 18.208 30.027 ( 0.000 0.000 -7.602) 7.602 30.027 ( 0.000 0.000 7.602) 7.602 30.138 ( 0.000 0.000 -3.737) 3.737 30.138 ( 0.000 0.000 3.737) 3.737 30.176 ( 0.000 0.000 -2.111) 2.111 30.176 ( 0.000 0.000 2.111) 2.111 30.803 ( 0.000 0.000 -1.702) 1.702 30.803 ( 0.000 0.000 1.702) 1.702 31.403 ( 0.000 0.000 -4.239) 4.239 31.403 ( 0.000 0.000 4.239) 4.239 31.585 ( 0.000 0.000 -6.176) 6.176 31.585 ( 0.000 0.000 6.176) 6.176 31.709 ( 0.000 0.000 -6.413) 6.413 31.709 ( 0.000 0.000 6.413) 6.413 32.513 ( 0.000 0.000 -5.447) 5.447 32.513 ( 0.000 0.000 5.447) 5.447 33.055 ( 0.000 0.000 -2.475) 2.475 33.055 ( 0.000 0.000 2.475) 2.475 33.505 ( 0.000 0.000 -1.077) 1.077 33.505 ( 0.000 0.000 1.077) 1.077 35.210 ( 0.000 0.000 -4.145) 4.145 35.210 ( 0.000 0.000 4.145) 4.145 35.338 ( 0.000 0.000 -3.393) 3.393 35.338 ( 0.000 0.000 3.393) 3.393 35.435 ( 0.000 0.000 -5.120) 5.120 35.435 ( 0.000 0.000 5.120) 5.120 35.787 ( 0.000 0.000 -5.551) 5.551 35.787 ( 0.000 0.000 5.551) 5.551 35.906 ( 0.000 0.000 -3.567) 3.567 35.906 ( 0.000 0.000 3.567) 3.567 35.925 ( 0.000 0.000 -2.395) 2.395 35.925 ( 0.000 0.000 2.395) 2.395 36.145 ( 0.000 0.000 -9.309) 9.309 36.145 ( 0.000 0.000 9.309) 9.309 38.022 ( 0.000 0.000 -15.482) 15.482 38.022 ( 0.000 0.000 15.482) 15.482 ======================= Grid point 72 (26/36) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 10.966 0.000 -18.691) 21.671 1.136 ( 10.966 0.000 18.691) 21.671 1.197 ( 21.534 0.000 -9.335) 23.470 1.197 ( 21.534 0.000 9.335) 23.470 1.883 ( 5.170 0.000 -6.294) 8.145 1.883 ( 5.170 0.000 6.294) 8.145 2.068 ( 3.643 0.000 -13.635) 14.114 2.068 ( 3.643 0.000 13.635) 14.114 2.086 ( -2.723 0.000 -5.223) 5.890 2.086 ( -2.723 0.000 5.223) 5.890 2.205 ( 5.549 0.000 -13.749) 14.826 2.205 ( 5.549 0.000 13.749) 14.826 2.234 ( 3.029 0.000 -9.137) 9.626 2.234 ( 3.029 0.000 9.137) 9.626 2.449 ( 8.445 0.000 -0.724) 8.476 2.449 ( 8.445 0.000 0.724) 8.476 2.571 ( -3.951 0.000 -0.435) 3.975 2.571 ( -3.951 0.000 0.435) 3.975 2.678 ( -0.266 0.000 -12.050) 12.053 2.678 ( -0.266 0.000 12.050) 12.053 2.783 ( 3.944 0.000 -6.984) 8.021 2.783 ( 3.944 0.000 6.984) 8.021 2.948 ( 6.653 0.000 -2.453) 7.090 2.948 ( 6.653 0.000 2.453) 7.090 2.983 ( 1.714 0.000 -3.486) 3.884 2.983 ( 1.714 0.000 3.486) 3.884 3.136 ( 8.436 0.000 -1.223) 8.524 3.136 ( 8.436 0.000 1.223) 8.524 3.301 ( 3.172 0.000 -4.838) 5.785 3.301 ( 3.172 0.000 4.838) 5.785 3.493 ( 0.183 0.000 -6.200) 6.202 3.493 ( 0.183 0.000 6.200) 6.202 3.525 ( -0.604 0.000 -2.858) 2.921 3.525 ( -0.604 0.000 2.858) 2.921 3.642 ( 0.866 0.000 -4.417) 4.501 3.642 ( 0.866 0.000 4.417) 4.501 3.728 ( -1.608 0.000 -4.025) 4.335 3.728 ( -1.608 0.000 4.025) 4.335 3.841 ( -4.984 0.000 -8.162) 9.564 3.841 ( -4.984 0.000 8.162) 9.564 4.133 ( 1.169 0.000 -4.532) 4.680 4.133 ( 1.169 0.000 4.532) 4.680 4.201 ( -2.297 0.000 -5.466) 5.929 4.201 ( -2.297 0.000 5.466) 5.929 4.425 ( -2.225 0.000 -1.627) 2.756 4.425 ( -2.225 0.000 1.627) 2.756 4.623 ( -2.336 0.000 -6.511) 6.917 4.623 ( -2.336 0.000 6.511) 6.917 4.660 ( -4.161 0.000 -2.220) 4.716 4.660 ( -4.161 0.000 2.220) 4.716 4.910 ( 3.319 0.000 -3.275) 4.663 4.910 ( 3.319 0.000 3.275) 4.663 4.959 ( -3.722 0.000 -8.795) 9.550 4.959 ( -3.722 0.000 8.795) 9.550 5.139 ( 4.492 0.000 -2.092) 4.956 5.139 ( 4.492 0.000 2.092) 4.956 5.387 ( -2.487 0.000 -11.492) 11.758 5.387 ( -2.487 0.000 11.492) 11.758 5.581 ( 5.484 0.000 -0.844) 5.548 5.581 ( 5.484 0.000 0.844) 5.548 5.920 ( -10.031 0.000 -16.878) 19.634 5.920 ( -10.031 0.000 16.878) 19.634 6.038 ( -10.177 0.000 -5.951) 11.789 6.038 ( -10.177 0.000 5.951) 11.789 6.177 ( -1.493 0.000 -0.763) 1.676 6.177 ( -1.493 0.000 0.763) 1.676 6.396 ( 2.179 0.000 -4.426) 4.933 6.396 ( 2.179 0.000 4.426) 4.933 6.588 ( 1.083 0.000 -5.451) 5.558 6.588 ( 1.083 0.000 5.451) 5.558 6.675 ( 2.975 0.000 -6.753) 7.379 6.675 ( 2.975 0.000 6.753) 7.379 8.053 ( 1.422 0.000 -1.386) 1.986 8.053 ( 1.422 0.000 1.386) 1.986 8.189 ( 4.077 0.000 -0.955) 4.187 8.189 ( 4.077 0.000 0.955) 4.187 8.316 ( 1.221 0.000 -1.758) 2.140 8.316 ( 1.221 0.000 1.758) 2.140 8.537 ( -1.477 0.000 -1.720) 2.267 8.537 ( -1.477 0.000 1.720) 2.267 9.046 ( -5.564 0.000 -2.674) 6.173 9.046 ( -5.564 0.000 2.674) 6.173 9.153 ( -3.244 0.000 -0.213) 3.251 9.153 ( -3.244 0.000 0.213) 3.251 9.295 ( -3.983 0.000 -0.156) 3.986 9.295 ( -3.983 0.000 0.156) 3.986 9.569 ( -6.731 0.000 -3.743) 7.701 9.569 ( -6.731 0.000 3.743) 7.701 9.938 ( 4.155 0.000 -7.449) 8.529 9.938 ( 4.155 0.000 7.449) 8.529 9.949 ( 3.000 0.000 -2.429) 3.860 9.949 ( 3.000 0.000 2.429) 3.860 10.111 ( -0.976 0.000 -7.026) 7.093 10.111 ( -0.976 0.000 7.026) 7.093 10.174 ( -0.297 0.000 -9.926) 9.931 10.174 ( -0.297 0.000 9.926) 9.931 10.697 ( -4.755 0.000 -1.051) 4.870 10.697 ( -4.755 0.000 1.051) 4.870 10.865 ( -0.758 0.000 -0.207) 0.786 10.865 ( -0.758 0.000 0.207) 0.786 11.056 ( -7.142 0.000 -4.988) 8.711 11.056 ( -7.142 0.000 4.988) 8.711 11.147 ( -7.698 0.000 -3.768) 8.571 11.147 ( -7.698 0.000 3.768) 8.571 11.799 ( -1.472 0.000 -1.986) 2.472 11.799 ( -1.472 0.000 1.986) 2.472 11.845 ( 6.777 0.000 -0.910) 6.838 11.845 ( 6.777 0.000 0.910) 6.838 12.104 ( -2.198 0.000 -1.744) 2.806 12.104 ( -2.198 0.000 1.744) 2.806 12.162 ( -2.295 0.000 -3.519) 4.201 12.162 ( -2.295 0.000 3.519) 4.201 12.393 ( -0.139 0.000 -0.442) 0.464 12.393 ( -0.139 0.000 0.442) 0.464 12.456 ( -2.940 0.000 -0.775) 3.041 12.456 ( -2.940 0.000 0.775) 3.041 12.744 ( -2.134 0.000 -0.816) 2.285 12.744 ( -2.134 0.000 0.816) 2.285 12.784 ( -1.745 0.000 -7.966) 8.155 12.784 ( -1.745 0.000 7.966) 8.155 13.229 ( 7.286 0.000 -13.973) 15.758 13.229 ( 7.286 0.000 13.973) 15.758 13.282 ( 5.430 0.000 -13.782) 14.813 13.282 ( 5.430 0.000 13.782) 14.813 14.160 ( -1.175 0.000 -5.673) 5.793 14.160 ( -1.175 0.000 5.673) 5.793 14.201 ( -3.730 0.000 -3.063) 4.826 14.201 ( -3.730 0.000 3.063) 4.826 14.540 ( 10.170 0.000 -1.013) 10.220 14.540 ( 10.170 0.000 1.013) 10.220 14.756 ( 15.894 0.000 -5.358) 16.773 14.756 ( 15.894 0.000 5.358) 16.773 14.818 ( 2.944 0.000 -7.652) 8.199 14.818 ( 2.944 0.000 7.652) 8.199 15.415 ( 5.941 0.000 -6.942) 9.137 15.415 ( 5.941 0.000 6.942) 9.137 15.791 ( 5.272 0.000 -2.891) 6.012 15.791 ( 5.272 0.000 2.891) 6.012 15.928 ( -6.739 0.000 -2.778) 7.289 15.928 ( -6.739 0.000 2.778) 7.289 16.340 ( -0.844 0.000 -0.451) 0.957 16.340 ( -0.844 0.000 0.451) 0.957 16.366 ( 5.131 0.000 -5.741) 7.700 16.366 ( 5.131 0.000 5.741) 7.700 16.904 ( 3.093 0.000 -0.300) 3.107 16.904 ( 3.093 0.000 0.300) 3.107 16.943 ( 6.733 0.000 -0.582) 6.759 16.943 ( 6.733 0.000 0.582) 6.759 17.133 ( -1.304 0.000 -0.607) 1.438 17.133 ( -1.304 0.000 0.607) 1.438 17.201 ( -0.441 0.000 -3.601) 3.628 17.201 ( -0.441 0.000 3.601) 3.628 19.600 ( 2.978 0.000 -3.768) 4.802 19.600 ( 2.978 0.000 3.768) 4.802 19.771 ( 6.803 0.000 -2.580) 7.276 19.771 ( 6.803 0.000 2.580) 7.276 20.890 ( -18.562 0.000 -1.093) 18.595 20.890 ( -18.562 0.000 1.093) 18.595 21.195 ( -14.721 0.000 -0.631) 14.734 21.195 ( -14.721 0.000 0.631) 14.734 21.782 ( 19.305 0.000 -0.600) 19.314 21.782 ( 19.305 0.000 0.600) 19.314 22.331 ( 14.173 0.000 -1.386) 14.240 22.331 ( 14.173 0.000 1.386) 14.240 23.222 ( -8.646 0.000 -0.697) 8.674 23.222 ( -8.646 0.000 0.697) 8.674 23.463 ( -3.909 0.000 -0.414) 3.931 23.463 ( -3.909 0.000 0.414) 3.931 26.444 ( 9.589 0.000 -0.434) 9.598 26.444 ( 9.589 0.000 0.434) 9.598 26.599 ( 19.949 0.000 -8.249) 21.587 26.599 ( 19.949 0.000 8.249) 21.587 28.381 ( -20.589 0.000 -1.338) 20.632 28.381 ( -20.589 0.000 1.338) 20.632 28.812 ( -16.872 0.000 -1.546) 16.943 28.812 ( -16.872 0.000 1.546) 16.943 29.199 ( 18.029 0.000 -0.969) 18.055 29.199 ( 18.029 0.000 0.969) 18.055 29.914 ( -5.451 0.000 -2.776) 6.117 29.914 ( -5.451 0.000 2.776) 6.117 30.108 ( 6.271 0.000 -9.974) 11.782 30.108 ( 6.271 0.000 9.974) 11.782 30.179 ( 5.390 0.000 -1.093) 5.499 30.179 ( 5.390 0.000 1.093) 5.499 30.269 ( 7.947 0.000 -8.419) 11.577 30.269 ( 7.947 0.000 8.419) 11.577 30.827 ( 1.045 0.000 -0.535) 1.174 30.827 ( 1.045 0.000 0.535) 1.174 31.211 ( -12.024 0.000 -4.268) 12.759 31.211 ( -12.024 0.000 4.268) 12.759 31.701 ( 3.385 0.000 -3.954) 5.205 31.701 ( 3.385 0.000 3.954) 5.205 31.815 ( 10.938 0.000 -3.250) 11.410 31.815 ( 10.938 0.000 3.250) 11.410 32.475 ( -4.057 0.000 -5.874) 7.139 32.475 ( -4.057 0.000 5.874) 7.139 32.904 ( -23.171 0.000 -9.496) 25.041 32.904 ( -23.171 0.000 9.496) 25.041 33.105 ( -16.117 0.000 -7.148) 17.631 33.105 ( -16.117 0.000 7.148) 17.631 35.311 ( 2.999 0.000 -6.828) 7.458 35.311 ( 2.999 0.000 6.828) 7.458 35.352 ( 1.252 0.000 -3.818) 4.018 35.352 ( 1.252 0.000 3.818) 4.018 35.499 ( 6.811 0.000 -6.046) 9.107 35.499 ( 6.811 0.000 6.046) 9.107 35.736 ( -1.940 0.000 -3.941) 4.393 35.736 ( -1.940 0.000 3.941) 4.393 35.833 ( -1.030 0.000 -3.185) 3.347 35.833 ( -1.030 0.000 3.185) 3.347 36.133 ( -0.827 0.000 -10.883) 10.914 36.133 ( -0.827 0.000 10.883) 10.914 36.195 ( 15.747 0.000 -4.937) 16.503 36.195 ( 15.747 0.000 4.937) 16.503 37.945 ( -7.938 0.000 -12.724) 14.997 37.945 ( -7.938 0.000 12.724) 14.997 ======================= Grid point 74 (27/36) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 14.940 0.000 -16.996) 22.629 1.390 ( 14.940 0.000 16.996) 22.629 1.607 ( 16.517 0.000 -10.394) 19.515 1.607 ( 16.517 0.000 10.394) 19.515 1.928 ( -0.550 0.000 -3.222) 3.269 1.928 ( -0.550 0.000 3.222) 3.269 2.018 ( -1.185 0.000 -2.107) 2.417 2.018 ( -1.185 0.000 2.107) 2.417 2.235 ( 2.306 0.000 -0.601) 2.383 2.235 ( 2.306 0.000 0.601) 2.383 2.281 ( 1.271 0.000 -14.984) 15.038 2.281 ( 1.271 0.000 14.984) 15.038 2.389 ( 14.012 0.000 -4.779) 14.804 2.389 ( 14.012 0.000 4.779) 14.804 2.484 ( -3.643 0.000 -2.567) 4.456 2.484 ( -3.643 0.000 2.567) 4.456 2.630 ( 3.718 0.000 -3.661) 5.218 2.630 ( 3.718 0.000 3.661) 5.218 2.725 ( 5.725 0.000 -4.991) 7.595 2.725 ( 5.725 0.000 4.991) 7.595 2.839 ( 6.636 0.000 -1.635) 6.834 2.839 ( 6.636 0.000 1.635) 6.834 3.044 ( 7.854 0.000 -6.188) 9.999 3.044 ( 7.854 0.000 6.188) 9.999 3.101 ( 5.311 0.000 -3.284) 6.244 3.101 ( 5.311 0.000 3.284) 6.244 3.286 ( 2.455 0.000 -0.952) 2.633 3.286 ( 2.455 0.000 0.952) 2.633 3.370 ( 3.112 0.000 -0.836) 3.223 3.370 ( 3.112 0.000 0.836) 3.223 3.495 ( -1.424 0.000 -3.889) 4.142 3.495 ( -1.424 0.000 3.889) 4.142 3.532 ( -0.340 0.000 -4.108) 4.122 3.532 ( -0.340 0.000 4.108) 4.122 3.652 ( -6.383 0.000 -1.943) 6.672 3.652 ( -6.383 0.000 1.943) 6.672 3.722 ( 4.542 0.000 -8.431) 9.577 3.722 ( 4.542 0.000 8.431) 9.577 3.780 ( 6.666 0.000 -3.427) 7.496 3.780 ( 6.666 0.000 3.427) 7.496 4.129 ( -2.726 0.000 -6.448) 7.001 4.129 ( -2.726 0.000 6.448) 7.001 4.143 ( -2.241 0.000 -4.756) 5.258 4.143 ( -2.241 0.000 4.756) 5.258 4.390 ( -0.458 0.000 -2.753) 2.791 4.390 ( -0.458 0.000 2.753) 2.791 4.544 ( -6.435 0.000 -0.788) 6.483 4.544 ( -6.435 0.000 0.788) 6.483 4.603 ( 0.486 0.000 -7.049) 7.066 4.603 ( 0.486 0.000 7.049) 7.066 4.828 ( -7.070 0.000 -7.260) 10.134 4.828 ( -7.070 0.000 7.260) 10.134 4.979 ( 2.005 0.000 -7.818) 8.071 4.979 ( 2.005 0.000 7.818) 8.071 5.169 ( -2.340 0.000 -2.921) 3.743 5.169 ( -2.340 0.000 2.921) 3.743 5.382 ( 1.066 0.000 -6.878) 6.960 5.382 ( 1.066 0.000 6.878) 6.960 5.644 ( -1.950 0.000 -0.562) 2.030 5.644 ( -1.950 0.000 0.562) 2.030 5.695 ( -9.711 0.000 -10.211) 14.092 5.695 ( -9.711 0.000 10.211) 14.092 5.865 ( -5.907 0.000 -10.452) 12.005 5.865 ( -5.907 0.000 10.452) 12.005 6.243 ( 8.535 0.000 -2.416) 8.871 6.243 ( 8.535 0.000 2.416) 8.871 6.424 ( 0.941 0.000 -9.026) 9.075 6.424 ( 0.941 0.000 9.026) 9.075 6.595 ( 0.046 0.000 -6.500) 6.500 6.595 ( 0.046 0.000 6.500) 6.500 6.724 ( 1.116 0.000 -5.531) 5.643 6.724 ( 1.116 0.000 5.531) 5.643 8.116 ( 4.326 0.000 -0.474) 4.351 8.116 ( 4.326 0.000 0.474) 4.351 8.277 ( 4.613 0.000 -0.382) 4.628 8.277 ( 4.613 0.000 0.382) 4.628 8.336 ( 0.262 0.000 -2.079) 2.096 8.336 ( 0.262 0.000 2.079) 2.096 8.497 ( -2.470 0.000 -0.769) 2.586 8.497 ( -2.470 0.000 0.769) 2.586 8.928 ( -5.071 0.000 -1.227) 5.217 8.928 ( -5.071 0.000 1.227) 5.217 9.048 ( -6.506 0.000 -1.830) 6.758 9.048 ( -6.506 0.000 1.830) 6.758 9.191 ( -5.532 0.000 -2.313) 5.996 9.191 ( -5.532 0.000 2.313) 5.996 9.385 ( -10.418 0.000 -1.660) 10.549 9.385 ( -10.418 0.000 1.660) 10.549 9.984 ( 2.027 0.000 -4.462) 4.901 9.984 ( 2.027 0.000 4.462) 4.901 10.048 ( 3.092 0.000 -3.712) 4.832 10.048 ( 3.092 0.000 3.712) 4.832 10.127 ( 3.397 0.000 -6.645) 7.463 10.127 ( 3.397 0.000 6.645) 7.463 10.182 ( 1.293 0.000 -8.409) 8.507 10.182 ( 1.293 0.000 8.409) 8.507 10.616 ( -2.268 0.000 -2.288) 3.222 10.616 ( -2.268 0.000 2.288) 3.222 10.826 ( -3.208 0.000 -2.939) 4.351 10.826 ( -3.208 0.000 2.939) 4.351 10.899 ( -7.348 0.000 -5.179) 8.990 10.899 ( -7.348 0.000 5.179) 8.990 10.955 ( -10.309 0.000 -2.761) 10.673 10.955 ( -10.309 0.000 2.761) 10.673 11.788 ( 0.849 0.000 -0.137) 0.860 11.788 ( 0.849 0.000 0.137) 0.860 12.000 ( 5.503 0.000 -1.630) 5.739 12.000 ( 5.503 0.000 1.630) 5.739 12.082 ( -1.387 0.000 -1.031) 1.728 12.082 ( -1.387 0.000 1.031) 1.728 12.143 ( 4.369 0.000 -2.187) 4.886 12.143 ( 4.369 0.000 2.187) 4.886 12.375 ( -3.816 0.000 -1.286) 4.027 12.375 ( -3.816 0.000 1.286) 4.027 12.426 ( 2.350 0.000 -1.795) 2.957 12.426 ( 2.350 0.000 1.795) 2.957 12.684 ( -3.708 0.000 -3.169) 4.878 12.684 ( -3.708 0.000 3.169) 4.878 12.715 ( -5.216 0.000 -4.099) 6.634 12.715 ( -5.216 0.000 4.099) 6.634 13.417 ( 10.615 0.000 -13.337) 17.046 13.417 ( 10.615 0.000 13.337) 17.046 13.438 ( 9.722 0.000 -12.182) 15.585 13.438 ( 9.722 0.000 12.182) 15.585 14.070 ( -7.446 0.000 -7.364) 10.473 14.070 ( -7.446 0.000 7.364) 10.473 14.099 ( -7.206 0.000 -9.121) 11.624 14.099 ( -7.206 0.000 9.121) 11.624 14.762 ( 10.228 0.000 -0.126) 10.229 14.762 ( 10.228 0.000 0.126) 10.229 14.900 ( 4.726 0.000 -2.381) 5.292 14.900 ( 4.726 0.000 2.381) 5.292 15.007 ( 9.387 0.000 -1.919) 9.581 15.007 ( 9.387 0.000 1.919) 9.581 15.463 ( -3.048 0.000 -5.113) 5.952 15.463 ( -3.048 0.000 5.113) 5.952 15.885 ( 4.062 0.000 -0.400) 4.082 15.885 ( 4.062 0.000 0.400) 4.082 15.943 ( 9.267 0.000 -4.740) 10.408 15.943 ( 9.267 0.000 4.740) 10.408 16.301 ( -3.256 0.000 -0.330) 3.273 16.301 ( -3.256 0.000 0.330) 3.273 16.421 ( -0.620 0.000 -9.694) 9.714 16.421 ( -0.620 0.000 9.694) 9.714 16.975 ( 3.440 0.000 -0.270) 3.451 16.975 ( 3.440 0.000 0.270) 3.451 17.059 ( 3.198 0.000 -0.606) 3.255 17.059 ( 3.198 0.000 0.606) 3.255 17.114 ( 0.384 0.000 -0.301) 0.488 17.114 ( 0.384 0.000 0.301) 0.488 17.193 ( -0.261 0.000 -3.658) 3.667 17.193 ( -0.261 0.000 3.658) 3.667 19.700 ( 7.111 0.000 -2.224) 7.451 19.700 ( 7.111 0.000 2.224) 7.451 19.973 ( 12.449 0.000 -3.092) 12.827 19.973 ( 12.449 0.000 3.092) 12.827 20.516 ( -17.881 0.000 -1.232) 17.923 20.516 ( -17.881 0.000 1.232) 17.923 20.871 ( -16.279 0.000 -1.236) 16.326 20.871 ( -16.279 0.000 1.236) 16.326 22.169 ( 18.389 0.000 -0.095) 18.389 22.169 ( 18.389 0.000 0.095) 18.389 22.638 ( 15.101 0.000 -1.134) 15.144 22.638 ( 15.101 0.000 1.134) 15.144 23.030 ( -10.027 0.000 -0.417) 10.036 23.030 ( -10.027 0.000 0.417) 10.036 23.348 ( -7.366 0.000 -0.291) 7.372 23.348 ( -7.366 0.000 0.291) 7.372 26.716 ( 16.652 0.000 -0.974) 16.681 26.716 ( 16.652 0.000 0.974) 16.681 27.022 ( 20.262 0.000 -13.761) 24.494 27.022 ( 20.262 0.000 13.761) 24.494 27.969 ( -20.148 0.000 -2.561) 20.310 27.969 ( -20.148 0.000 2.561) 20.310 28.359 ( -25.435 0.000 -1.963) 25.510 28.359 ( -25.435 0.000 1.963) 25.510 29.519 ( 13.191 0.000 -2.410) 13.410 29.519 ( 13.191 0.000 2.410) 13.410 29.844 ( -1.584 0.000 -4.112) 4.407 29.844 ( -1.584 0.000 4.112) 4.407 30.260 ( 8.126 0.000 -3.519) 8.855 30.260 ( 8.126 0.000 3.519) 8.855 30.328 ( 8.496 0.000 -1.959) 8.719 30.328 ( 8.496 0.000 1.959) 8.719 30.470 ( 9.992 0.000 -12.176) 15.751 30.470 ( 9.992 0.000 12.176) 15.751 30.810 ( -3.184 0.000 -0.698) 3.259 30.810 ( -3.184 0.000 0.698) 3.259 31.002 ( -6.456 0.000 -1.725) 6.682 31.002 ( -6.456 0.000 1.725) 6.682 31.691 ( -6.831 0.000 -9.220) 11.475 31.691 ( -6.831 0.000 9.220) 11.475 32.028 ( 8.190 0.000 -2.191) 8.478 32.028 ( 8.190 0.000 2.191) 8.478 32.303 ( -9.901 0.000 -11.477) 15.157 32.303 ( -9.901 0.000 11.477) 15.157 32.518 ( -6.305 0.000 -10.304) 12.080 32.518 ( -6.305 0.000 10.304) 12.080 32.914 ( -8.657 0.000 -1.473) 8.781 32.914 ( -8.657 0.000 1.473) 8.781 35.331 ( 0.296 0.000 -4.030) 4.041 35.331 ( 0.296 0.000 4.030) 4.041 35.362 ( -0.169 0.000 -4.349) 4.352 35.362 ( -0.169 0.000 4.349) 4.352 35.635 ( 5.425 0.000 -3.096) 6.246 35.635 ( 5.425 0.000 3.096) 6.246 35.751 ( 2.444 0.000 -0.909) 2.608 35.751 ( 2.444 0.000 0.909) 2.608 35.829 ( 0.913 0.000 -2.516) 2.676 35.829 ( 0.913 0.000 2.516) 2.676 36.085 ( -3.514 0.000 -8.938) 9.604 36.085 ( -3.514 0.000 8.938) 9.604 36.545 ( 18.389 0.000 -5.968) 19.334 36.545 ( 18.389 0.000 5.968) 19.334 37.700 ( -15.709 0.000 -9.828) 18.530 37.700 ( -15.709 0.000 9.828) 18.530 ======================= Grid point 76 (28/36) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 13.463 0.000 -7.071) 15.206 1.697 ( 13.463 0.000 7.071) 15.206 1.826 ( 2.775 0.000 -7.271) 7.783 1.826 ( 2.775 0.000 7.271) 7.783 1.948 ( 2.690 0.000 -6.183) 6.743 1.948 ( 2.690 0.000 6.183) 6.743 1.989 ( -1.942 0.000 -7.278) 7.532 1.989 ( -1.942 0.000 7.278) 7.532 2.234 ( 0.060 0.000 -0.327) 0.332 2.234 ( 0.060 0.000 0.327) 0.332 2.260 ( -1.527 0.000 -1.918) 2.451 2.260 ( -1.527 0.000 1.918) 2.451 2.408 ( -2.580 0.000 -2.502) 3.594 2.408 ( -2.580 0.000 2.502) 3.594 2.458 ( -5.669 0.000 -1.839) 5.960 2.458 ( -5.669 0.000 1.839) 5.960 2.783 ( 12.785 0.000 -7.127) 14.637 2.783 ( 12.785 0.000 7.127) 14.637 2.925 ( 12.111 0.000 -0.167) 12.112 2.925 ( 12.111 0.000 0.167) 12.112 2.988 ( -4.470 0.000 -5.565) 7.138 2.988 ( -4.470 0.000 5.565) 7.138 3.075 ( 4.455 0.000 -1.189) 4.611 3.075 ( 4.455 0.000 1.189) 4.611 3.243 ( -8.128 0.000 -1.411) 8.250 3.243 ( -8.128 0.000 1.411) 8.250 3.251 ( 1.667 0.000 -7.539) 7.722 3.251 ( 1.667 0.000 7.539) 7.722 3.375 ( 5.103 0.000 -0.945) 5.190 3.375 ( 5.103 0.000 0.945) 5.190 3.462 ( -4.508 0.000 -3.970) 6.007 3.462 ( -4.508 0.000 3.970) 6.007 3.549 ( 2.532 0.000 -0.514) 2.584 3.549 ( 2.532 0.000 0.514) 2.584 3.584 ( 1.187 0.000 -2.859) 3.096 3.584 ( 1.187 0.000 2.859) 3.096 3.831 ( 6.467 0.000 -3.854) 7.528 3.831 ( 6.467 0.000 3.854) 7.528 3.912 ( 0.969 0.000 -5.627) 5.710 3.912 ( 0.969 0.000 5.627) 5.710 4.060 ( -3.323 0.000 -6.567) 7.360 4.060 ( -3.323 0.000 6.567) 7.360 4.079 ( -4.166 0.000 -6.194) 7.464 4.079 ( -4.166 0.000 6.194) 7.464 4.431 ( 4.245 0.000 -3.219) 5.327 4.431 ( 4.245 0.000 3.219) 5.327 4.472 ( -0.649 0.000 -0.125) 0.661 4.472 ( -0.649 0.000 0.125) 0.661 4.631 ( 2.501 0.000 -7.420) 7.830 4.631 ( 2.501 0.000 7.420) 7.830 4.710 ( -4.365 0.000 -9.277) 10.252 4.710 ( -4.365 0.000 9.277) 10.252 4.997 ( 0.666 0.000 -5.472) 5.512 4.997 ( 0.666 0.000 5.472) 5.512 5.068 ( -6.106 0.000 -0.224) 6.110 5.068 ( -6.106 0.000 0.224) 6.110 5.399 ( 1.425 0.000 -5.429) 5.613 5.399 ( 1.425 0.000 5.429) 5.613 5.482 ( -7.200 0.000 -4.724) 8.612 5.482 ( -7.200 0.000 4.724) 8.612 5.666 ( 2.701 0.000 -6.131) 6.699 5.666 ( 2.701 0.000 6.131) 6.699 5.758 ( -5.394 0.000 -6.749) 8.639 5.758 ( -5.394 0.000 6.749) 8.639 6.427 ( 5.827 0.000 -7.343) 9.374 6.427 ( 5.827 0.000 7.343) 9.374 6.450 ( 1.351 0.000 -11.016) 11.098 6.450 ( 1.351 0.000 11.016) 11.098 6.614 ( 3.065 0.000 -3.689) 4.797 6.614 ( 3.065 0.000 3.689) 4.797 6.702 ( -3.462 0.000 -2.734) 4.412 6.702 ( -3.462 0.000 2.734) 4.412 8.216 ( 5.145 0.000 -0.800) 5.207 8.216 ( 5.145 0.000 0.800) 5.207 8.303 ( -2.909 0.000 -0.223) 2.918 8.303 ( -2.909 0.000 0.223) 2.918 8.372 ( 3.702 0.000 -1.954) 4.186 8.372 ( 3.702 0.000 1.954) 4.186 8.439 ( -3.088 0.000 -1.556) 3.458 8.439 ( -3.088 0.000 1.556) 3.458 8.872 ( -0.190 0.000 -0.233) 0.300 8.872 ( -0.190 0.000 0.233) 0.300 8.922 ( -4.965 0.000 -1.053) 5.075 8.922 ( -4.965 0.000 1.053) 5.075 9.121 ( -0.308 0.000 -1.469) 1.501 9.121 ( -0.308 0.000 1.469) 1.501 9.194 ( -7.286 0.000 -0.189) 7.289 9.194 ( -7.286 0.000 0.189) 7.289 10.028 ( 2.334 0.000 -3.360) 4.091 10.028 ( 2.334 0.000 3.360) 4.091 10.065 ( -0.812 0.000 -3.230) 3.330 10.065 ( -0.812 0.000 3.230) 3.330 10.200 ( 2.432 0.000 -5.967) 6.443 10.200 ( 2.432 0.000 5.967) 6.443 10.213 ( 1.026 0.000 -7.339) 7.410 10.213 ( 1.026 0.000 7.339) 7.410 10.625 ( 3.186 0.000 -4.101) 5.193 10.625 ( 3.186 0.000 4.101) 5.193 10.740 ( -7.481 0.000 -3.802) 8.391 10.740 ( -7.481 0.000 3.802) 8.391 10.767 ( -1.904 0.000 -5.771) 6.077 10.767 ( -1.904 0.000 5.771) 6.077 10.800 ( -4.171 0.000 -3.041) 5.162 10.800 ( -4.171 0.000 3.041) 5.162 11.843 ( 4.352 0.000 -0.243) 4.359 11.843 ( 4.352 0.000 0.243) 4.359 11.948 ( -5.487 0.000 -2.273) 5.939 11.948 ( -5.487 0.000 2.273) 5.939 12.159 ( 5.071 0.000 -0.360) 5.083 12.159 ( 5.071 0.000 0.360) 5.083 12.244 ( -1.482 0.000 -1.035) 1.808 12.244 ( -1.482 0.000 1.035) 1.808 12.358 ( 7.274 0.000 -3.930) 8.268 12.358 ( 7.274 0.000 3.930) 8.268 12.489 ( 1.859 0.000 -4.907) 5.248 12.489 ( 1.859 0.000 4.907) 5.248 12.572 ( -6.403 0.000 -3.471) 7.284 12.572 ( -6.403 0.000 3.471) 7.284 12.606 ( -4.548 0.000 -1.615) 4.826 12.606 ( -4.548 0.000 1.615) 4.826 13.640 ( 11.222 0.000 -12.109) 16.509 13.640 ( 11.222 0.000 12.109) 16.509 13.663 ( 11.704 0.000 -11.147) 16.163 13.663 ( 11.704 0.000 11.147) 16.163 13.879 ( -10.664 0.000 -10.772) 15.157 13.879 ( -10.664 0.000 10.772) 15.157 13.910 ( -10.879 0.000 -10.778) 15.314 13.910 ( -10.879 0.000 10.778) 15.314 14.922 ( 5.151 0.000 -0.098) 5.152 14.922 ( 5.151 0.000 0.098) 5.152 14.965 ( 0.864 0.000 -0.181) 0.882 14.965 ( 0.864 0.000 0.181) 0.882 15.178 ( 8.034 0.000 -1.015) 8.098 15.178 ( 8.034 0.000 1.015) 8.098 15.339 ( -7.668 0.000 -1.910) 7.903 15.339 ( -7.668 0.000 1.910) 7.903 16.034 ( 8.737 0.000 -1.956) 8.954 16.034 ( 8.737 0.000 1.956) 8.954 16.146 ( 9.808 0.000 -6.530) 11.783 16.146 ( 9.808 0.000 6.530) 11.783 16.200 ( -6.364 0.000 -1.654) 6.575 16.200 ( -6.364 0.000 1.654) 6.575 16.335 ( -7.401 0.000 -8.512) 11.280 16.335 ( -7.401 0.000 8.512) 11.280 17.033 ( 2.201 0.000 -0.581) 2.277 17.033 ( 2.201 0.000 0.581) 2.277 17.065 ( -1.011 0.000 -0.664) 1.210 17.065 ( -1.011 0.000 0.664) 1.210 17.157 ( 2.240 0.000 -2.845) 3.621 17.157 ( 2.240 0.000 2.845) 3.621 17.186 ( -0.684 0.000 -3.669) 3.732 17.186 ( -0.684 0.000 3.669) 3.732 19.893 ( 11.871 0.000 -1.248) 11.936 19.893 ( 11.871 0.000 1.248) 11.936 20.172 ( -14.830 0.000 -1.124) 14.873 20.172 ( -14.830 0.000 1.124) 14.873 20.252 ( 13.655 0.000 -2.864) 13.952 20.252 ( 13.655 0.000 2.864) 13.952 20.551 ( -15.257 0.000 -2.071) 15.397 20.551 ( -15.257 0.000 2.071) 15.397 22.517 ( 15.705 0.000 -0.257) 15.708 22.517 ( 15.705 0.000 0.257) 15.708 22.800 ( -11.924 0.000 -0.885) 11.957 22.800 ( -11.924 0.000 0.885) 11.957 22.930 ( 12.573 0.000 -1.004) 12.613 22.930 ( 12.573 0.000 1.004) 12.613 23.167 ( -10.388 0.000 -0.256) 10.391 23.167 ( -10.388 0.000 0.256) 10.391 27.098 ( 20.468 0.000 -0.858) 20.486 27.098 ( 20.468 0.000 0.858) 20.486 27.392 ( 11.533 0.000 -8.384) 14.258 27.392 ( 11.533 0.000 8.384) 14.258 27.577 ( -13.348 0.000 -5.595) 14.474 27.577 ( -13.348 0.000 5.595) 14.474 27.861 ( -22.539 0.000 -7.077) 23.624 27.861 ( -22.539 0.000 7.077) 23.624 29.726 ( 7.210 0.000 -3.457) 7.996 29.726 ( 7.210 0.000 3.457) 7.996 29.816 ( -2.111 0.000 -3.864) 4.403 29.816 ( -2.111 0.000 3.864) 4.403 30.422 ( 7.551 0.000 -0.234) 7.554 30.422 ( 7.551 0.000 0.234) 7.554 30.501 ( 7.469 0.000 -2.299) 7.815 30.501 ( 7.469 0.000 2.299) 7.815 30.551 ( -1.842 0.000 -2.273) 2.926 30.551 ( -1.842 0.000 2.273) 2.926 30.682 ( -8.287 0.000 -2.734) 8.726 30.682 ( -8.287 0.000 2.734) 8.726 31.079 ( 13.307 0.000 -10.898) 17.200 31.079 ( 13.307 0.000 10.898) 17.200 31.413 ( -17.462 0.000 -15.182) 23.139 31.413 ( -17.462 0.000 15.182) 23.139 32.137 ( 4.354 0.000 -3.960) 5.885 32.137 ( 4.354 0.000 3.960) 5.885 32.218 ( -2.982 0.000 -3.542) 4.630 32.218 ( -2.982 0.000 3.542) 4.630 32.538 ( 6.970 0.000 -1.591) 7.149 32.538 ( 6.970 0.000 1.591) 7.149 32.723 ( -9.938 0.000 -1.757) 10.092 32.723 ( -9.938 0.000 1.757) 10.092 35.339 ( 0.553 0.000 -3.259) 3.306 35.339 ( 0.553 0.000 3.259) 3.306 35.352 ( -0.698 0.000 -3.515) 3.584 35.352 ( -0.698 0.000 3.515) 3.584 35.722 ( 3.314 0.000 -0.241) 3.323 35.722 ( 3.314 0.000 0.241) 3.323 35.768 ( -1.033 0.000 -0.299) 1.076 35.768 ( -1.033 0.000 0.299) 1.076 35.894 ( 4.906 0.000 -3.740) 6.169 35.894 ( 4.906 0.000 3.740) 6.169 35.997 ( -4.955 0.000 -6.835) 8.443 35.997 ( -4.955 0.000 6.835) 8.443 36.935 ( 19.837 0.000 -7.306) 21.140 36.935 ( 19.837 0.000 7.306) 21.140 37.337 ( -19.428 0.000 -8.311) 21.131 37.337 ( -19.428 0.000 8.311) 21.131 ======================= Grid point 84 (29/36) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.000 10.215 -19.659) 22.155 0.971 ( 0.000 10.215 19.659) 22.155 1.092 ( 0.000 3.496 -25.454) 25.693 1.092 ( 0.000 3.496 25.454) 25.693 1.749 ( 0.000 -7.457 -10.015) 12.487 1.749 ( 0.000 -7.457 10.015) 12.487 1.936 ( 0.000 -16.300 -4.430) 16.891 1.936 ( 0.000 -16.300 4.430) 16.891 2.084 ( 0.000 4.163 -17.065) 17.566 2.084 ( 0.000 4.163 17.065) 17.566 2.233 ( 0.000 8.966 -14.415) 16.975 2.233 ( 0.000 8.966 14.415) 16.975 2.262 ( 0.000 0.869 -6.961) 7.015 2.262 ( 0.000 0.869 6.961) 7.015 2.381 ( 0.000 4.146 -8.876) 9.797 2.381 ( 0.000 4.146 8.876) 9.797 2.528 ( 0.000 -0.236 -4.715) 4.721 2.528 ( 0.000 -0.236 4.715) 4.721 2.658 ( 0.000 -3.876 -4.967) 6.300 2.658 ( 0.000 -3.876 4.967) 6.300 2.785 ( 0.000 -1.234 -1.116) 1.664 2.785 ( 0.000 -1.234 1.116) 1.664 2.863 ( 0.000 3.990 -8.985) 9.831 2.863 ( 0.000 3.990 8.985) 9.831 2.953 ( 0.000 -4.194 -2.991) 5.151 2.953 ( 0.000 -4.194 2.991) 5.151 3.028 ( 0.000 -4.884 -5.709) 7.513 3.028 ( 0.000 -4.884 5.709) 7.513 3.249 ( 0.000 1.769 -6.592) 6.825 3.249 ( 0.000 1.769 6.592) 6.825 3.485 ( 0.000 -1.261 -6.551) 6.671 3.485 ( 0.000 -1.261 6.551) 6.671 3.515 ( 0.000 -1.687 -3.256) 3.667 3.515 ( 0.000 -1.687 3.256) 3.667 3.616 ( 0.000 -1.463 -1.241) 1.919 3.616 ( 0.000 -1.463 1.241) 1.919 3.746 ( 0.000 0.993 -4.094) 4.212 3.746 ( 0.000 0.993 4.094) 4.212 3.925 ( 0.000 1.610 -6.203) 6.409 3.925 ( 0.000 1.610 6.203) 6.409 4.109 ( 0.000 0.123 -6.555) 6.556 4.109 ( 0.000 0.123 6.555) 6.556 4.275 ( 0.000 3.483 -4.636) 5.798 4.275 ( 0.000 3.483 4.636) 5.798 4.529 ( 0.000 5.147 -1.106) 5.265 4.529 ( 0.000 5.147 1.106) 5.265 4.543 ( 0.000 -5.009 -7.073) 8.667 4.543 ( 0.000 -5.009 7.073) 8.667 4.805 ( 0.000 4.410 -2.525) 5.082 4.805 ( 0.000 4.410 2.525) 5.082 4.893 ( 0.000 1.785 -4.633) 4.966 4.893 ( 0.000 1.785 4.633) 4.966 5.054 ( 0.000 5.598 -6.747) 8.767 5.054 ( 0.000 5.598 6.747) 8.767 5.095 ( 0.000 2.284 -1.696) 2.845 5.095 ( 0.000 2.284 1.696) 2.845 5.426 ( 0.000 -2.050 -16.036) 16.166 5.426 ( 0.000 -2.050 16.036) 16.166 5.473 ( 0.000 -3.069 -2.723) 4.103 5.473 ( 0.000 -3.069 2.723) 4.103 5.974 ( 0.000 -4.081 -17.215) 17.692 5.974 ( 0.000 -4.081 17.215) 17.692 6.108 ( 0.000 -7.056 -5.356) 8.859 6.108 ( 0.000 -7.056 5.356) 8.859 6.243 ( 0.000 2.152 -3.803) 4.370 6.243 ( 0.000 2.152 3.803) 4.370 6.335 ( 0.000 -1.355 -1.269) 1.857 6.335 ( 0.000 -1.355 1.269) 1.857 6.577 ( 0.000 1.873 -9.196) 9.384 6.577 ( 0.000 1.873 9.196) 9.384 6.656 ( 0.000 1.189 -5.847) 5.966 6.656 ( 0.000 1.189 5.847) 5.966 8.062 ( 0.000 0.601 -2.582) 2.651 8.062 ( 0.000 0.601 2.582) 2.651 8.123 ( 0.000 -0.398 -2.437) 2.470 8.123 ( 0.000 -0.398 2.437) 2.470 8.317 ( 0.000 1.433 -1.179) 1.856 8.317 ( 0.000 1.433 1.179) 1.856 8.517 ( 0.000 -3.236 -1.903) 3.755 8.517 ( 0.000 -3.236 1.903) 3.755 9.117 ( 0.000 0.251 -2.576) 2.588 9.117 ( 0.000 0.251 2.576) 2.588 9.161 ( 0.000 -1.267 -1.456) 1.931 9.161 ( 0.000 -1.267 1.456) 1.931 9.360 ( 0.000 2.073 -1.971) 2.860 9.360 ( 0.000 2.073 1.971) 2.860 9.592 ( 0.000 -3.767 -3.623) 5.226 9.592 ( 0.000 -3.767 3.623) 5.226 9.915 ( 0.000 2.667 -6.183) 6.733 9.915 ( 0.000 2.667 6.183) 6.733 9.942 ( 0.000 1.286 -3.041) 3.302 9.942 ( 0.000 1.286 3.041) 3.302 10.124 ( 0.000 -0.334 -6.609) 6.618 10.124 ( 0.000 -0.334 6.609) 6.618 10.166 ( 0.000 -1.181 -10.130) 10.199 10.166 ( 0.000 -1.181 10.130) 10.199 10.777 ( 0.000 1.769 -2.903) 3.399 10.777 ( 0.000 1.769 2.903) 3.399 10.865 ( 0.000 -0.180 -0.914) 0.931 10.865 ( 0.000 -0.180 0.914) 0.931 11.127 ( 0.000 -1.204 -6.854) 6.959 11.127 ( 0.000 -1.204 6.854) 6.959 11.186 ( 0.000 -3.658 -2.925) 4.684 11.186 ( 0.000 -3.658 2.925) 4.684 11.785 ( 0.000 1.190 -0.406) 1.257 11.785 ( 0.000 1.190 0.406) 1.257 11.822 ( 0.000 -0.088 -2.936) 2.938 11.822 ( 0.000 -0.088 2.936) 2.938 12.158 ( 0.000 0.085 -1.450) 1.453 12.158 ( 0.000 0.085 1.450) 1.453 12.177 ( 0.000 0.731 -4.939) 4.993 12.177 ( 0.000 0.731 4.939) 4.993 12.397 ( 0.000 -1.243 -1.841) 2.222 12.397 ( 0.000 -1.243 1.841) 2.222 12.467 ( 0.000 -1.915 -0.828) 2.086 12.467 ( 0.000 -1.915 0.828) 2.086 12.773 ( 0.000 0.605 -1.173) 1.319 12.773 ( 0.000 0.605 1.173) 1.319 12.798 ( 0.000 -0.097 -8.853) 8.853 12.798 ( 0.000 -0.097 8.853) 8.853 13.149 ( 0.000 0.055 -14.447) 14.447 13.149 ( 0.000 0.055 14.447) 14.447 13.208 ( 0.000 -1.457 -14.442) 14.515 13.208 ( 0.000 -1.457 14.442) 14.515 14.193 ( 0.000 3.181 -5.257) 6.145 14.193 ( 0.000 3.181 5.257) 6.145 14.283 ( 0.000 1.780 -4.140) 4.507 14.283 ( 0.000 1.780 4.140) 4.507 14.443 ( 0.000 -0.239 -0.971) 1.000 14.443 ( 0.000 -0.239 0.971) 1.000 14.465 ( 0.000 -1.103 -2.764) 2.976 14.465 ( 0.000 -1.103 2.764) 2.976 14.832 ( 0.000 3.912 -10.139) 10.868 14.832 ( 0.000 3.912 10.139) 10.868 15.273 ( 0.000 -6.062 -0.227) 6.066 15.273 ( 0.000 -6.062 0.227) 6.066 15.740 ( 0.000 0.374 -1.746) 1.786 15.740 ( 0.000 0.374 1.746) 1.786 15.924 ( 0.000 -7.516 -4.571) 8.796 15.924 ( 0.000 -7.516 4.571) 8.796 16.291 ( 0.000 0.652 -1.351) 1.500 16.291 ( 0.000 0.652 1.351) 1.500 16.353 ( 0.000 -0.132 -0.245) 0.278 16.353 ( 0.000 -0.132 0.245) 0.278 16.866 ( 0.000 0.914 -0.393) 0.995 16.866 ( 0.000 0.914 0.393) 0.995 16.881 ( 0.000 0.697 -1.253) 1.434 16.881 ( 0.000 0.697 1.253) 1.434 17.152 ( 0.000 0.348 -0.432) 0.555 17.152 ( 0.000 0.348 0.432) 0.555 17.199 ( 0.000 -0.609 -3.385) 3.439 17.199 ( 0.000 -0.609 3.385) 3.439 19.579 ( 0.000 0.733 -4.590) 4.648 19.579 ( 0.000 0.733 4.590) 4.648 19.669 ( 0.000 -2.496 -2.799) 3.750 19.669 ( 0.000 -2.496 2.799) 3.750 21.191 ( 0.000 1.408 -0.649) 1.551 21.191 ( 0.000 1.408 0.649) 1.551 21.349 ( 0.000 -2.258 -0.174) 2.265 21.349 ( 0.000 -2.258 0.174) 2.265 21.620 ( 0.000 10.375 -3.176) 10.850 21.620 ( 0.000 10.375 3.176) 10.850 22.117 ( 0.000 -3.547 -1.998) 4.071 22.117 ( 0.000 -3.547 1.998) 4.071 23.330 ( 0.000 0.514 -0.494) 0.713 23.330 ( 0.000 0.514 0.494) 0.713 23.480 ( 0.000 -2.084 -0.429) 2.128 23.480 ( 0.000 -2.084 0.429) 2.128 26.348 ( 0.000 0.142 -0.073) 0.159 26.348 ( 0.000 0.142 0.073) 0.159 26.354 ( 0.000 0.007 -0.200) 0.200 26.354 ( 0.000 0.007 0.200) 0.200 28.812 ( 0.000 0.736 -9.018) 9.048 28.812 ( 0.000 0.736 9.018) 9.048 28.818 ( 0.000 1.311 -8.126) 8.231 28.818 ( 0.000 1.311 8.126) 8.231 29.069 ( 0.000 8.280 -4.097) 9.238 29.069 ( 0.000 8.280 4.097) 9.238 29.946 ( 0.000 -5.995 -15.896) 16.989 29.946 ( 0.000 -5.995 15.896) 16.989 30.039 ( 0.000 1.292 -7.113) 7.230 30.039 ( 0.000 1.292 7.113) 7.230 30.133 ( 0.000 -0.383 -2.326) 2.357 30.133 ( 0.000 -0.383 2.326) 2.357 30.182 ( 0.000 0.688 -1.790) 1.918 30.182 ( 0.000 0.688 1.790) 1.918 30.704 ( 0.000 -10.751 -8.897) 13.954 30.704 ( 0.000 -10.751 8.897) 13.954 31.386 ( 0.000 -1.426 -3.445) 3.728 31.386 ( 0.000 -1.426 3.445) 3.728 31.563 ( 0.000 -3.342 -7.387) 8.108 31.563 ( 0.000 -3.342 7.387) 8.108 31.723 ( 0.000 1.237 -4.721) 4.880 31.723 ( 0.000 1.237 4.721) 4.880 32.385 ( 0.000 -54.692 -31.159) 62.945 32.385 ( 0.000 -54.692 31.159) 62.945 32.558 ( 0.000 4.255 -3.885) 5.762 32.558 ( 0.000 4.255 3.885) 5.762 33.030 ( 0.000 -7.985 -2.125) 8.263 33.030 ( 0.000 -7.985 2.125) 8.263 35.228 ( 0.000 1.672 -4.134) 4.460 35.228 ( 0.000 1.672 4.134) 4.460 35.357 ( 0.000 0.316 -3.661) 3.675 35.357 ( 0.000 0.316 3.661) 3.675 35.485 ( 0.000 5.113 -6.648) 8.387 35.485 ( 0.000 5.113 6.648) 8.387 35.893 ( 0.000 1.699 -4.625) 4.927 35.893 ( 0.000 1.699 4.625) 4.927 35.897 ( 0.000 -2.739 -3.943) 4.801 35.897 ( 0.000 -2.739 3.943) 4.801 36.107 ( 0.000 -3.434 -8.626) 9.284 36.107 ( 0.000 -3.434 8.626) 9.284 36.692 ( 0.000 48.140 -33.169) 58.460 36.692 ( 0.000 48.140 33.169) 58.460 37.962 ( 0.000 -5.806 -17.378) 18.323 37.962 ( 0.000 -5.806 17.378) 18.323 ======================= Grid point 86 (30/36) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 9.345 2.587 -20.373) 22.563 1.157 ( 9.345 2.587 20.373) 22.563 1.279 ( 20.035 7.384 -14.330) 25.715 1.279 ( 20.035 7.384 14.330) 25.715 1.812 ( 4.844 -7.447 -4.786) 10.091 1.812 ( 4.844 -7.447 4.786) 10.091 1.988 ( 5.129 -12.422 -6.170) 14.788 1.988 ( 5.129 -12.422 6.170) 14.788 2.088 ( 2.349 2.548 -10.233) 10.804 2.088 ( 2.349 2.548 10.233) 10.804 2.197 ( 0.857 5.692 -11.730) 13.066 2.197 ( 0.857 5.692 11.730) 13.066 2.329 ( 2.071 4.081 -16.674) 17.290 2.329 ( 2.071 4.081 16.674) 17.290 2.410 ( 5.620 1.261 -2.806) 6.407 2.410 ( 5.620 1.261 2.806) 6.407 2.594 ( -0.085 -0.156 -5.127) 5.130 2.594 ( -0.085 -0.156 5.127) 5.130 2.652 ( 2.040 -2.087 -6.061) 6.727 2.652 ( 2.040 -2.087 6.061) 6.727 2.787 ( -0.411 -1.067 -6.779) 6.875 2.787 ( -0.411 -1.067 6.779) 6.875 2.906 ( 3.436 -2.329 -1.969) 4.595 2.906 ( 3.436 -2.329 1.969) 4.595 3.003 ( 7.054 0.030 -2.572) 7.508 3.003 ( 7.054 0.030 2.572) 7.508 3.158 ( 10.746 0.567 -0.814) 10.792 3.158 ( 10.746 0.567 0.814) 10.792 3.283 ( 2.832 -0.144 -3.706) 4.667 3.283 ( 2.832 -0.144 3.706) 4.667 3.462 ( -0.949 -1.486 -3.846) 4.231 3.462 ( -0.949 -1.486 3.846) 4.231 3.504 ( -0.522 -1.696 -4.096) 4.464 3.504 ( -0.522 -1.696 4.096) 4.464 3.626 ( 0.224 -2.010 -1.834) 2.730 3.626 ( 0.224 -2.010 1.834) 2.730 3.724 ( -1.941 1.090 -1.701) 2.802 3.724 ( -1.941 1.090 1.701) 2.802 3.884 ( -3.826 1.789 -6.241) 7.536 3.884 ( -3.826 1.789 6.241) 7.536 4.118 ( -0.056 -0.177 -3.765) 3.769 4.118 ( -0.056 -0.177 3.765) 3.769 4.244 ( -2.494 2.280 -5.220) 6.218 4.244 ( -2.494 2.280 5.220) 6.218 4.455 ( -4.917 0.123 -2.900) 5.710 4.455 ( -4.917 0.123 2.900) 5.710 4.541 ( -1.449 -0.087 -4.632) 4.854 4.541 ( -1.449 -0.087 4.632) 4.854 4.771 ( -3.491 4.934 -2.939) 6.721 4.771 ( -3.491 4.934 2.939) 6.721 4.891 ( -0.889 -0.970 -3.756) 3.980 4.891 ( -0.889 -0.970 3.756) 3.980 5.025 ( -2.147 4.364 -3.463) 5.971 5.025 ( -2.147 4.364 3.463) 5.971 5.155 ( 3.176 2.120 -2.490) 4.559 5.155 ( 3.176 2.120 2.490) 4.559 5.356 ( -2.018 -2.882 -10.436) 11.013 5.356 ( -2.018 -2.882 10.436) 11.013 5.560 ( 5.376 -2.698 -1.668) 6.242 5.560 ( 5.376 -2.698 1.668) 6.242 5.867 ( -8.626 -2.676 -12.960) 15.797 5.867 ( -8.626 -2.676 12.960) 15.797 6.024 ( -8.015 -3.152 -1.398) 8.725 6.024 ( -8.015 -3.152 1.398) 8.725 6.197 ( -0.947 2.470 -1.362) 2.976 6.197 ( -0.947 2.470 1.362) 2.976 6.373 ( 2.234 -1.989 -3.578) 4.663 6.373 ( 2.234 -1.989 3.578) 4.663 6.606 ( 1.502 1.857 -8.701) 9.022 6.606 ( 1.502 1.857 8.701) 9.022 6.686 ( 2.569 0.792 -6.056) 6.626 6.686 ( 2.569 0.792 6.056) 6.626 8.068 ( 1.648 1.312 -1.639) 2.669 8.068 ( 1.648 1.312 1.639) 2.669 8.176 ( 3.881 -1.141 -0.741) 4.112 8.176 ( 3.881 -1.141 0.741) 4.112 8.329 ( 1.052 1.302 -1.403) 2.184 8.329 ( 1.052 1.302 1.403) 2.184 8.507 ( -0.922 -2.691 -1.566) 3.247 8.507 ( -0.922 -2.691 1.566) 3.247 9.051 ( -5.453 0.473 -2.122) 5.871 9.051 ( -5.453 0.473 2.122) 5.871 9.128 ( -3.456 -1.890 -1.557) 4.236 9.128 ( -3.456 -1.890 1.557) 4.236 9.316 ( -4.435 1.870 -1.140) 4.946 9.316 ( -4.435 1.870 1.140) 4.946 9.531 ( -6.189 -3.312 -3.047) 7.652 9.531 ( -6.189 -3.312 3.047) 7.652 9.944 ( 2.333 0.984 -4.412) 5.087 9.944 ( 2.333 0.984 4.412) 5.087 9.976 ( 3.429 1.646 -1.434) 4.065 9.976 ( 3.429 1.646 1.434) 4.065 10.105 ( -1.048 -0.343 -6.358) 6.453 10.105 ( -1.048 -0.343 6.358) 6.453 10.164 ( -0.049 -0.912 -8.777) 8.825 10.164 ( -0.049 -0.912 8.777) 8.825 10.720 ( -4.356 2.131 -1.950) 5.226 10.720 ( -4.356 2.131 1.950) 5.226 10.861 ( -0.901 -0.453 -0.194) 1.027 10.861 ( -0.901 -0.453 0.194) 1.027 11.049 ( -6.754 -0.574 -5.133) 8.503 11.049 ( -6.754 -0.574 5.133) 8.503 11.117 ( -6.558 -2.426 -4.013) 8.062 11.117 ( -6.558 -2.426 4.013) 8.062 11.809 ( -0.582 0.909 -2.525) 2.746 11.809 ( -0.582 0.909 2.525) 2.746 11.851 ( 5.991 0.486 -0.650) 6.045 11.851 ( 5.991 0.486 0.650) 6.045 12.105 ( -2.307 0.291 -1.436) 2.733 12.105 ( -2.307 0.291 1.436) 2.733 12.165 ( -2.196 0.197 -4.460) 4.975 12.165 ( -2.196 0.197 4.460) 4.975 12.378 ( -0.686 -1.174 -0.641) 1.503 12.378 ( -0.686 -1.174 0.641) 1.503 12.443 ( -2.323 -1.418 -1.570) 3.142 12.443 ( -2.323 -1.418 1.570) 3.142 12.750 ( -2.145 0.626 -1.248) 2.559 12.750 ( -2.145 0.626 1.248) 2.559 12.784 ( -1.788 -0.099 -7.011) 7.236 12.784 ( -1.788 -0.099 7.011) 7.236 13.228 ( 7.287 0.004 -13.800) 15.606 13.228 ( 7.287 0.004 13.800) 15.606 13.269 ( 5.841 -1.077 -13.676) 14.910 13.269 ( 5.841 -1.077 13.676) 14.910 14.186 ( -1.615 2.099 -5.997) 6.555 14.186 ( -1.615 2.099 5.997) 6.555 14.218 ( -4.288 1.373 -3.387) 5.634 14.218 ( -4.288 1.373 3.387) 5.634 14.551 ( 10.946 1.161 -0.610) 11.024 14.551 ( 10.946 1.161 0.610) 11.024 14.729 ( 15.648 -2.505 -4.898) 16.587 14.729 ( 15.648 -2.505 4.898) 16.587 14.862 ( 3.050 4.183 -7.735) 9.307 14.862 ( 3.050 4.183 7.735) 9.307 15.343 ( 5.515 -6.737 -3.034) 9.220 15.343 ( 5.515 -6.737 3.034) 9.220 15.790 ( 4.913 -0.010 -2.534) 5.528 15.790 ( 4.913 -0.010 2.534) 5.528 15.881 ( -2.738 -3.567 -3.150) 5.490 15.881 ( -2.738 -3.567 3.150) 5.490 16.319 ( 1.150 -1.034 -1.083) 1.889 16.319 ( 1.150 -1.034 1.083) 1.889 16.360 ( 1.452 -0.845 -1.662) 2.363 16.360 ( 1.452 -0.845 1.662) 2.363 16.912 ( 3.090 0.628 -0.348) 3.172 16.912 ( 3.090 0.628 0.348) 3.172 16.938 ( 5.393 -0.281 -0.178) 5.403 16.938 ( 5.393 -0.281 0.178) 5.403 17.141 ( -0.767 0.700 -0.458) 1.135 17.141 ( -0.767 0.700 0.458) 1.135 17.196 ( -0.285 -0.507 -3.214) 3.266 17.196 ( -0.285 -0.507 3.214) 3.266 19.607 ( 2.877 0.592 -3.783) 4.789 19.607 ( 2.877 0.592 3.783) 4.789 19.720 ( 5.540 -3.641 -1.925) 6.904 19.720 ( 5.540 -3.641 1.925) 6.904 20.931 ( -18.114 3.342 -0.530) 18.427 20.931 ( -18.114 3.342 0.530) 18.427 21.164 ( -14.983 -2.750 -0.459) 15.241 21.164 ( -14.983 -2.750 0.459) 15.241 21.877 ( 17.923 7.841 -2.360) 19.705 21.877 ( 17.923 7.841 2.360) 19.705 22.297 ( 14.360 -3.229 -1.713) 14.818 22.297 ( 14.360 -3.229 1.713) 14.818 23.241 ( -7.462 1.937 -0.396) 7.720 23.241 ( -7.462 1.937 0.396) 7.720 23.439 ( -4.014 -2.235 -0.524) 4.625 23.439 ( -4.014 -2.235 0.524) 4.625 26.452 ( 10.062 0.722 -0.616) 10.107 26.452 ( 10.062 0.722 0.616) 10.107 26.570 ( 18.146 -2.421 -6.189) 19.324 26.570 ( 18.146 -2.421 6.189) 19.324 28.419 ( -20.897 3.535 -1.016) 21.218 28.419 ( -20.897 3.535 1.016) 21.218 28.754 ( -16.917 -4.774 -1.454) 17.638 28.754 ( -16.917 -4.774 1.454) 17.638 29.310 ( 17.280 9.781 -3.168) 20.108 29.310 ( 17.280 9.781 3.168) 20.108 29.923 ( -2.259 0.225 -4.736) 5.252 29.923 ( -2.259 0.225 4.736) 5.252 30.087 ( 5.918 -1.679 -8.837) 10.767 30.087 ( 5.918 -1.679 8.837) 10.767 30.176 ( 5.146 -0.254 -0.487) 5.175 30.176 ( 5.146 -0.254 0.487) 5.175 30.260 ( 6.795 -0.468 -6.224) 9.227 30.260 ( 6.795 -0.468 6.224) 9.227 30.759 ( 3.339 -7.758 -5.296) 9.969 30.759 ( 3.339 -7.758 5.296) 9.969 31.203 ( -12.011 -0.669 -3.457) 12.516 31.203 ( -12.011 -0.669 3.457) 12.516 31.594 ( -3.542 -13.906 -10.889) 18.014 31.594 ( -3.542 -13.906 10.889) 18.014 31.819 ( 9.603 1.419 -3.676) 10.380 31.819 ( 9.603 1.419 3.676) 10.380 32.310 ( -4.624 -31.041 -23.414) 39.156 32.310 ( -4.624 -31.041 23.414) 39.156 32.537 ( -2.264 2.325 -4.326) 5.408 32.537 ( -2.264 2.325 4.326) 5.408 32.983 ( -4.435 -6.806 -2.294) 8.441 32.983 ( -4.435 -6.806 2.294) 8.441 35.260 ( 2.566 0.260 -4.259) 4.979 35.260 ( 2.566 0.260 4.259) 4.979 35.401 ( 2.914 2.343 -4.207) 5.628 35.401 ( 2.914 2.343 4.207) 5.628 35.493 ( 1.811 1.793 -5.995) 6.514 35.493 ( 1.811 1.793 5.995) 6.514 35.790 ( -2.333 2.911 -2.779) 4.652 35.790 ( -2.333 2.911 2.779) 4.652 36.046 ( 2.046 -4.290 -8.193) 9.471 36.046 ( 2.046 -4.290 8.193) 9.471 36.153 ( 8.572 -0.600 -5.876) 10.410 36.153 ( 8.572 -0.600 5.876) 10.410 36.560 ( -10.060 40.246 -22.985) 47.426 36.560 ( -10.060 40.246 22.985) 47.426 37.873 ( -8.953 -7.019 -14.472) 18.408 37.873 ( -8.953 -7.019 14.472) 18.408 ======================= Grid point 88 (31/36) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 13.805 1.143 -15.642) 20.894 1.395 ( 13.805 1.143 15.642) 20.894 1.643 ( 14.824 3.700 -8.886) 17.675 1.643 ( 14.824 3.700 8.886) 17.675 1.864 ( 0.466 -5.665 -1.486) 5.875 1.864 ( 0.466 -5.665 1.486) 5.875 2.043 ( 0.782 -0.530 -4.448) 4.547 2.043 ( 0.782 -0.530 4.448) 4.547 2.195 ( 3.963 -3.009 -6.519) 8.201 2.195 ( 3.963 -3.009 6.519) 8.201 2.308 ( -0.883 1.599 -9.855) 10.023 2.308 ( -0.883 1.599 9.855) 10.023 2.393 ( 13.036 3.131 -6.881) 15.069 2.393 ( 13.036 3.131 6.881) 15.069 2.483 ( -2.799 -0.634 -4.882) 5.663 2.483 ( -2.799 -0.634 4.882) 5.663 2.606 ( 2.138 -1.869 -2.862) 4.032 2.606 ( 2.138 -1.869 2.862) 4.032 2.737 ( 6.795 0.544 -5.286) 8.626 2.737 ( 6.795 0.544 5.286) 8.626 2.822 ( 7.825 -0.611 -4.917) 9.262 2.822 ( 7.825 -0.611 4.917) 9.262 3.040 ( 8.985 -1.219 -3.644) 9.772 3.040 ( 8.985 -1.219 3.644) 9.772 3.126 ( 4.314 2.483 -3.047) 5.836 3.126 ( 4.314 2.483 3.047) 5.836 3.311 ( 0.682 0.725 -3.413) 3.555 3.311 ( 0.682 0.725 3.413) 3.555 3.352 ( 2.515 0.404 -2.652) 3.677 3.352 ( 2.515 0.404 2.652) 3.677 3.477 ( 0.470 -2.959 -1.399) 3.307 3.477 ( 0.470 -2.959 1.399) 3.307 3.508 ( 0.597 -1.616 -3.431) 3.839 3.508 ( 0.597 -1.616 3.431) 3.839 3.614 ( -1.509 -1.691 -1.104) 2.521 3.614 ( -1.509 -1.691 1.104) 2.521 3.733 ( 6.511 -0.083 -1.949) 6.797 3.733 ( 6.511 -0.083 1.949) 6.797 3.815 ( -0.972 2.666 -6.081) 6.710 3.815 ( -0.972 2.666 6.081) 6.710 4.103 ( -0.367 -1.252 -2.806) 3.094 4.103 ( -0.367 -1.252 2.806) 3.094 4.176 ( -4.949 1.799 -5.406) 7.547 4.176 ( -4.949 1.799 5.406) 7.547 4.369 ( -2.924 -2.341 -4.484) 5.843 4.369 ( -2.924 -2.341 4.484) 5.843 4.495 ( -2.882 -0.628 -2.439) 3.827 4.495 ( -2.882 -0.628 2.439) 3.827 4.685 ( -3.521 4.167 -3.792) 6.644 4.685 ( -3.521 4.167 3.792) 6.644 4.830 ( -4.802 -0.224 -5.140) 7.038 4.830 ( -4.802 -0.224 5.140) 7.038 4.985 ( -1.486 0.807 -5.098) 5.371 4.985 ( -1.486 0.807 5.098) 5.371 5.142 ( -3.855 -2.312 -1.469) 4.729 5.142 ( -3.855 -2.312 1.469) 4.729 5.386 ( 2.393 0.456 -5.374) 5.901 5.386 ( 2.393 0.456 5.374) 5.901 5.605 ( -4.026 -4.128 -0.572) 5.794 5.605 ( -4.026 -4.128 0.572) 5.794 5.711 ( -4.316 2.365 -8.509) 9.830 5.711 ( -4.316 2.365 8.509) 9.830 5.864 ( -5.600 -0.512 -7.024) 8.998 5.864 ( -5.600 -0.512 7.024) 8.998 6.265 ( 7.541 2.085 -2.540) 8.226 6.265 ( 7.541 2.085 2.540) 8.226 6.412 ( 1.918 -1.256 -7.641) 7.978 6.412 ( 1.918 -1.256 7.641) 7.978 6.623 ( 0.326 2.425 -8.230) 8.586 6.623 ( 0.326 2.425 8.230) 8.586 6.728 ( 0.872 0.190 -5.179) 5.255 6.728 ( 0.872 0.190 5.179) 5.255 8.130 ( 4.213 1.330 -1.257) 4.593 8.130 ( 4.213 1.330 1.257) 4.593 8.264 ( 4.742 -1.384 -0.888) 5.019 8.264 ( 4.742 -1.384 0.888) 5.019 8.344 ( -0.076 0.985 -1.568) 1.853 8.344 ( -0.076 0.985 1.568) 1.853 8.479 ( -1.983 -1.721 -0.651) 2.705 8.479 ( -1.983 -1.721 0.651) 2.705 8.935 ( -5.000 0.706 -0.875) 5.125 8.935 ( -5.000 0.706 0.875) 5.125 9.033 ( -5.493 -1.425 -1.792) 5.951 9.033 ( -5.493 -1.425 1.792) 5.951 9.191 ( -6.863 0.384 -1.632) 7.065 9.191 ( -6.863 0.384 1.632) 7.065 9.354 ( -10.269 -2.791 -1.461) 10.741 9.354 ( -10.269 -2.791 1.461) 10.741 9.988 ( 1.894 0.402 -4.568) 4.961 9.988 ( 1.894 0.402 4.568) 4.961 10.046 ( 1.853 -0.421 -1.451) 2.391 10.046 ( 1.853 -0.421 1.451) 2.391 10.125 ( 3.694 0.164 -4.334) 5.697 10.125 ( 3.694 0.164 4.334) 5.697 10.178 ( 1.522 -0.454 -7.751) 7.912 10.178 ( 1.522 -0.454 7.751) 7.912 10.646 ( -2.239 2.601 -2.068) 4.007 10.646 ( -2.239 2.601 2.068) 4.007 10.823 ( -2.850 -0.618 -1.762) 3.408 10.823 ( -2.850 -0.618 1.762) 3.408 10.892 ( -7.734 -0.406 -4.751) 9.086 10.892 ( -7.734 -0.406 4.751) 9.086 10.944 ( -9.614 -0.936 -2.881) 10.080 10.944 ( -9.614 -0.936 2.881) 10.080 11.813 ( 1.341 2.340 -1.367) 3.024 11.813 ( 1.341 2.340 1.367) 3.024 11.990 ( 5.907 -1.136 -1.192) 6.132 11.990 ( 5.907 -1.136 1.192) 6.132 12.092 ( -2.607 0.926 -1.239) 3.031 12.092 ( -2.607 0.926 1.239) 3.031 12.135 ( 3.848 -0.588 -1.715) 4.254 12.135 ( 3.848 -0.588 1.715) 4.254 12.362 ( -2.203 -0.944 -1.181) 2.672 12.362 ( -2.203 -0.944 1.181) 2.672 12.415 ( 1.507 -1.267 -0.593) 2.056 12.415 ( 1.507 -1.267 0.593) 2.056 12.688 ( -3.952 0.425 -2.244) 4.565 12.688 ( -3.952 0.425 2.244) 4.565 12.715 ( -5.082 -0.082 -3.962) 6.444 12.715 ( -5.082 -0.082 3.962) 6.444 13.417 ( 10.651 0.010 -12.952) 16.769 13.417 ( 10.651 0.010 12.952) 16.769 13.434 ( 10.109 -0.319 -12.148) 15.807 13.434 ( 10.109 -0.319 12.148) 15.807 14.089 ( -7.726 1.574 -7.316) 10.756 14.089 ( -7.726 1.574 7.316) 10.756 14.108 ( -7.298 0.784 -8.903) 11.538 14.108 ( -7.298 0.784 8.903) 11.538 14.782 ( 10.334 1.896 -0.283) 10.510 14.782 ( 10.334 1.896 0.283) 10.510 14.943 ( 4.593 3.965 -2.235) 6.466 14.943 ( 4.593 3.965 2.235) 6.466 14.983 ( 9.475 -2.101 -1.828) 9.876 14.983 ( 9.475 -2.101 1.828) 9.876 15.399 ( -1.568 -5.905 -3.948) 7.274 15.399 ( -1.568 -5.905 3.948) 7.274 15.890 ( 4.995 0.406 -0.592) 5.046 15.890 ( 4.995 0.406 0.592) 5.046 15.937 ( 8.870 -0.584 -4.021) 9.757 15.937 ( 8.870 -0.584 4.021) 9.757 16.299 ( -2.748 -0.110 -0.432) 2.784 16.299 ( -2.748 -0.110 0.432) 2.784 16.389 ( -0.425 -2.563 -6.906) 7.379 16.389 ( -0.425 -2.563 6.906) 7.379 16.977 ( 2.908 0.206 -0.469) 2.953 16.977 ( 2.908 0.206 0.469) 2.953 17.027 ( 2.289 -1.921 -1.040) 3.163 17.027 ( 2.289 -1.921 1.040) 3.163 17.143 ( 1.472 1.813 -1.121) 2.590 17.143 ( 1.472 1.813 1.121) 2.590 17.194 ( 0.291 0.084 -3.311) 3.325 17.194 ( 0.291 0.084 3.311) 3.325 19.706 ( 7.176 0.610 -2.060) 7.491 19.706 ( 7.176 0.610 2.060) 7.491 19.897 ( 11.336 -5.782 -1.566) 12.821 19.897 ( 11.336 -5.782 1.566) 12.821 20.562 ( -17.522 3.749 -0.717) 17.933 20.562 ( -17.522 3.749 0.717) 17.933 20.834 ( -16.570 -3.290 -0.964) 16.921 20.834 ( -16.570 -3.290 0.964) 16.921 22.242 ( 17.474 6.208 -1.349) 18.594 22.242 ( 17.474 6.208 1.349) 18.594 22.607 ( 15.245 -2.927 -1.365) 15.583 22.607 ( 15.245 -2.927 1.365) 15.583 23.067 ( -9.533 3.321 -0.511) 10.107 23.067 ( -9.533 3.321 0.511) 10.107 23.322 ( -7.456 -2.453 -0.390) 7.858 23.322 ( -7.456 -2.453 0.390) 7.858 26.732 ( 17.006 1.633 -1.501) 17.150 26.732 ( 17.006 1.633 1.501) 17.150 26.974 ( 20.156 -4.220 -11.363) 23.520 26.974 ( 20.156 -4.220 11.363) 23.520 27.996 ( -20.773 2.619 -1.994) 21.033 27.996 ( -20.773 2.619 1.994) 21.033 28.306 ( -24.789 -4.668 -1.768) 25.286 28.306 ( -24.789 -4.668 1.768) 25.286 29.625 ( 13.062 9.680 -3.340) 16.597 29.625 ( 13.062 9.680 3.340) 16.597 29.900 ( 0.053 5.332 -3.613) 6.441 29.900 ( 0.053 5.332 3.613) 6.441 30.249 ( 8.940 -1.496 -5.656) 10.684 30.249 ( 8.940 -1.496 5.656) 10.684 30.320 ( 8.404 -0.551 -1.242) 8.514 30.320 ( 8.404 -0.551 1.242) 8.514 30.437 ( 9.502 -2.856 -10.664) 14.566 30.437 ( 9.502 -2.856 10.664) 14.566 30.781 ( -1.597 -3.346 -4.157) 5.570 30.781 ( -1.597 -3.346 4.157) 5.570 30.975 ( -9.221 -2.056 -1.263) 9.531 30.975 ( -9.221 -2.056 1.263) 9.531 31.437 ( -10.904 -22.989 -15.935) 30.022 31.437 ( -10.904 -22.989 15.935) 30.022 32.016 ( 8.726 1.262 -3.081) 9.339 32.016 ( 8.726 1.262 3.081) 9.339 32.284 ( 2.034 -3.328 -8.522) 9.372 32.284 ( 2.034 -3.328 8.522) 9.372 32.476 ( -2.827 1.032 -4.718) 5.596 32.476 ( -2.827 1.032 4.718) 5.596 32.859 ( -7.563 -5.095 -2.463) 9.446 32.859 ( -7.563 -5.095 2.463) 9.446 35.315 ( 2.647 0.722 -4.472) 5.247 35.315 ( 2.647 0.722 4.472) 5.247 35.414 ( -0.787 5.394 -4.795) 7.260 35.414 ( -0.787 5.394 4.795) 7.260 35.593 ( 6.675 -3.570 -4.926) 9.032 35.593 ( 6.675 -3.570 4.926) 9.032 35.785 ( 1.061 4.032 -2.344) 4.783 35.785 ( 1.061 4.032 2.344) 4.783 36.029 ( -1.488 -0.426 -6.685) 6.862 36.029 ( -1.488 -0.426 6.685) 6.862 36.256 ( -5.728 22.717 -8.831) 25.037 36.256 ( -5.728 22.717 8.831) 25.037 36.518 ( 12.214 0.666 -3.106) 12.620 36.518 ( 12.214 0.666 3.106) 12.620 37.609 ( -16.311 -8.701 -10.921) 21.471 37.609 ( -16.311 -8.701 10.921) 21.471 ======================= Grid point 90 (32/36) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 11.867 -1.186 -7.621) 14.153 1.671 ( 11.867 -1.186 7.621) 14.153 1.813 ( -1.292 -0.886 -4.051) 4.344 1.813 ( -1.292 -0.886 4.051) 4.344 1.929 ( 7.896 -0.860 -1.462) 8.076 1.929 ( 7.896 -0.860 1.462) 8.076 2.037 ( -1.948 2.252 -5.591) 6.334 2.037 ( -1.948 2.252 5.591) 6.334 2.219 ( -0.272 -1.076 -2.696) 2.915 2.219 ( -0.272 -1.076 2.696) 2.915 2.268 ( -3.453 0.500 -1.161) 3.678 2.268 ( -3.453 0.500 1.161) 3.678 2.389 ( -0.195 -1.441 -5.235) 5.433 2.389 ( -0.195 -1.441 5.235) 5.433 2.464 ( -4.744 -0.164 -1.916) 5.119 2.464 ( -4.744 -0.164 1.916) 5.119 2.797 ( 13.228 1.134 -7.889) 15.443 2.797 ( 13.228 1.134 7.889) 15.443 2.919 ( 9.985 -0.503 -5.155) 11.249 2.919 ( 9.985 -0.503 5.155) 11.249 2.991 ( 0.975 -0.262 -4.507) 4.619 2.991 ( 0.975 -0.262 4.507) 4.619 3.074 ( -1.460 1.910 -2.313) 3.336 3.074 ( -1.460 1.910 2.313) 3.336 3.235 ( -4.058 -2.399 -2.866) 5.518 3.235 ( -4.058 -2.399 2.866) 5.518 3.251 ( -0.307 0.124 -4.320) 4.333 3.251 ( -0.307 0.124 4.320) 4.333 3.382 ( 2.448 -0.494 -0.491) 2.545 3.382 ( 2.448 -0.494 0.491) 2.545 3.451 ( -2.590 0.429 -4.346) 5.077 3.451 ( -2.590 0.429 4.346) 5.077 3.500 ( 4.595 -1.432 -4.325) 6.470 3.500 ( 4.595 -1.432 4.325) 6.470 3.622 ( -1.549 1.605 -4.991) 5.467 3.622 ( -1.549 1.605 4.991) 5.467 3.861 ( 6.058 1.679 -2.667) 6.829 3.861 ( 6.058 1.679 2.667) 6.829 3.897 ( 4.188 -1.792 -0.455) 4.578 3.897 ( 4.188 -1.792 0.455) 4.578 4.053 ( -4.224 0.005 -2.119) 4.725 4.053 ( -4.224 0.005 2.119) 4.725 4.084 ( -4.563 1.275 -2.132) 5.195 4.084 ( -4.563 1.275 2.132) 5.195 4.370 ( 4.210 -4.687 -2.591) 6.812 4.370 ( 4.210 -4.687 2.591) 6.812 4.447 ( -2.196 -2.380 -1.351) 3.509 4.447 ( -2.196 -2.380 1.351) 3.509 4.670 ( 1.842 2.863 -4.349) 5.522 4.670 ( 1.842 2.863 4.349) 5.522 4.735 ( -4.035 1.643 -6.597) 7.905 4.735 ( -4.035 1.643 6.597) 7.905 4.962 ( 0.102 -2.579 -5.390) 5.976 4.962 ( 0.102 -2.579 5.390) 5.976 5.033 ( -6.044 -2.806 -2.246) 7.032 5.033 ( -6.044 -2.806 2.246) 7.032 5.405 ( 0.892 0.347 -5.052) 5.142 5.405 ( 0.892 0.347 5.052) 5.142 5.473 ( -5.954 -0.977 -3.138) 6.801 5.473 ( -5.954 -0.977 3.138) 6.801 5.700 ( 2.466 2.874 -5.879) 6.993 5.700 ( 2.466 2.874 5.879) 6.993 5.777 ( -4.269 1.328 -4.776) 6.542 5.777 ( -4.269 1.328 4.776) 6.542 6.427 ( 5.557 0.352 -4.557) 7.196 6.427 ( 5.557 0.352 4.557) 7.196 6.457 ( 1.837 0.350 -7.407) 7.639 6.457 ( 1.837 0.350 7.407) 7.639 6.639 ( 2.232 2.092 -5.145) 5.986 6.639 ( 2.232 2.092 5.145) 5.986 6.708 ( -2.927 0.386 -1.982) 3.556 6.708 ( -2.927 0.386 1.982) 3.556 8.227 ( 4.993 1.083 -1.220) 5.253 8.227 ( 4.993 1.083 1.220) 5.253 8.313 ( -3.058 0.878 -0.399) 3.206 8.313 ( -3.058 0.878 0.399) 3.206 8.357 ( 4.024 -1.380 -1.844) 4.636 8.357 ( 4.024 -1.380 1.844) 4.636 8.426 ( -3.022 -1.182 -1.609) 3.622 8.426 ( -3.022 -1.182 1.609) 3.622 8.879 ( -0.267 0.698 -0.298) 0.804 8.879 ( -0.267 0.698 0.298) 0.804 8.925 ( -4.494 0.242 -1.330) 4.693 8.925 ( -4.494 0.242 1.330) 4.693 9.099 ( -0.945 -1.726 -1.353) 2.388 9.099 ( -0.945 -1.726 1.353) 2.388 9.166 ( -7.125 -2.527 -0.212) 7.563 9.166 ( -7.125 -2.527 0.212) 7.563 10.027 ( 1.983 -0.079 -3.216) 3.779 10.027 ( 1.983 -0.079 3.216) 3.779 10.057 ( -0.573 -0.765 -2.241) 2.437 10.057 ( -0.573 -0.765 2.241) 2.437 10.198 ( 2.356 -0.119 -4.094) 4.725 10.198 ( 2.356 -0.119 4.094) 4.725 10.210 ( 1.016 -0.222 -6.335) 6.420 10.210 ( 1.016 -0.222 6.335) 6.420 10.646 ( 2.429 1.832 -3.596) 4.711 10.646 ( 2.429 1.832 3.596) 4.711 10.742 ( -6.363 0.046 -3.730) 7.376 10.742 ( -6.363 0.046 3.730) 7.376 10.769 ( -2.378 0.131 -5.176) 5.697 10.769 ( -2.378 0.131 5.176) 5.697 10.791 ( -3.993 -0.801 -2.795) 4.939 10.791 ( -3.993 -0.801 2.795) 4.939 11.872 ( 4.278 2.694 -0.883) 5.132 11.872 ( 4.278 2.694 0.883) 5.132 11.972 ( -5.039 2.206 -2.450) 6.022 11.972 ( -5.039 2.206 2.450) 6.022 12.128 ( 4.558 -2.872 -0.766) 5.441 12.128 ( 4.558 -2.872 0.766) 5.441 12.202 ( -1.391 -3.358 -1.650) 3.992 12.202 ( -1.391 -3.358 1.650) 3.992 12.380 ( 6.685 1.633 -2.918) 7.475 12.380 ( 6.685 1.633 2.918) 7.475 12.478 ( 2.987 -0.957 -3.280) 4.538 12.478 ( 2.987 -0.957 3.280) 4.538 12.576 ( -6.553 0.288 -2.616) 7.062 12.576 ( -6.553 0.288 2.616) 7.062 12.604 ( -4.991 -0.222 -2.251) 5.480 12.604 ( -4.991 -0.222 2.251) 5.480 13.641 ( 11.102 0.170 -11.452) 15.951 13.641 ( 11.102 0.170 11.452) 15.951 13.660 ( 11.225 -0.258 -10.559) 15.413 13.660 ( 11.225 -0.258 10.559) 15.413 13.897 ( -10.315 1.483 -9.941) 14.402 13.897 ( -10.315 1.483 9.941) 14.402 13.920 ( -10.555 0.819 -10.184) 14.689 13.920 ( -10.555 0.819 10.184) 14.689 14.944 ( 5.429 2.106 -0.580) 5.852 14.944 ( 5.429 2.106 0.580) 5.852 14.997 ( 0.196 3.010 -1.029) 3.187 14.997 ( 0.196 3.010 1.029) 3.187 15.156 ( 7.865 -2.084 -1.031) 8.202 15.156 ( 7.865 -2.084 1.031) 8.202 15.304 ( -6.608 -3.258 -1.984) 7.630 15.304 ( -6.608 -3.258 1.984) 7.630 16.042 ( 8.636 0.803 -2.121) 8.929 16.042 ( 8.636 0.803 2.121) 8.929 16.132 ( 9.257 -1.220 -5.495) 10.833 16.132 ( 9.257 -1.220 5.495) 10.833 16.207 ( -5.890 0.619 -1.529) 6.116 16.207 ( -5.890 0.619 1.529) 6.116 16.314 ( -6.824 -1.894 -7.186) 10.089 16.314 ( -6.824 -1.894 7.186) 10.089 17.022 ( 1.512 -0.834 -0.967) 1.979 17.022 ( 1.512 -0.834 0.967) 1.979 17.041 ( -0.351 -1.637 -1.189) 2.053 17.041 ( -0.351 -1.637 1.189) 2.053 17.183 ( 1.740 1.814 -2.008) 3.217 17.183 ( 1.740 1.814 2.008) 3.217 17.201 ( -0.032 1.127 -2.936) 3.145 17.201 ( -0.032 1.127 2.936) 3.145 19.899 ( 11.618 0.660 -1.024) 11.682 19.899 ( 11.618 0.660 1.024) 11.682 20.101 ( 0.753 -5.257 -0.253) 5.317 20.101 ( 0.753 -5.257 0.253) 5.317 20.287 ( -1.936 2.388 -0.742) 3.163 20.287 ( -1.936 2.388 0.742) 3.163 20.510 ( -15.161 -3.536 -1.507) 15.641 20.510 ( -15.161 -3.536 1.507) 15.641 22.573 ( 15.051 4.984 -0.377) 15.859 22.573 ( 15.051 4.984 0.377) 15.859 22.844 ( -9.915 3.640 -0.647) 10.582 22.844 ( -9.915 3.640 0.647) 10.582 22.904 ( 11.084 -2.308 -1.043) 11.369 22.904 ( 11.084 -2.308 1.043) 11.369 23.140 ( -10.462 -2.618 -0.196) 10.786 23.140 ( -10.462 -2.618 0.196) 10.786 27.118 ( 20.500 1.972 -1.515) 20.651 27.118 ( 20.500 1.972 1.515) 20.651 27.361 ( 15.847 -3.118 -8.751) 18.369 27.361 ( 15.847 -3.118 8.751) 18.369 27.583 ( -17.469 1.061 -3.401) 17.828 27.583 ( -17.469 1.061 3.401) 17.828 27.818 ( -22.363 -3.809 -6.089) 23.488 27.818 ( -22.363 -3.809 6.089) 23.488 29.826 ( 6.638 9.201 -3.419) 11.850 29.826 ( 6.638 9.201 3.419) 11.850 29.899 ( -1.058 7.836 -3.326) 8.579 29.899 ( -1.058 7.836 3.326) 8.579 30.422 ( 7.743 -0.281 -1.932) 7.986 30.422 ( 7.743 -0.281 1.932) 7.986 30.496 ( 7.997 -0.470 -2.102) 8.282 30.496 ( 7.997 -0.470 2.102) 8.282 30.541 ( -0.816 -1.245 -3.632) 3.925 30.541 ( -0.816 -1.245 3.632) 3.925 30.677 ( -8.152 -0.325 -2.646) 8.577 30.677 ( -8.152 -0.325 2.646) 8.577 30.947 ( 8.054 -11.134 -8.857) 16.349 30.947 ( 8.054 -11.134 8.857) 16.349 31.186 ( -13.150 -18.931 -15.076) 27.543 31.186 ( -13.150 -18.931 15.076) 27.543 32.168 ( 6.583 3.401 -3.332) 8.124 32.168 ( 6.583 3.401 3.332) 8.124 32.283 ( -4.019 4.671 -1.790) 6.417 32.283 ( -4.019 4.671 1.790) 6.417 32.511 ( 7.067 -2.338 -1.098) 7.524 32.511 ( 7.067 -2.338 1.098) 7.524 32.687 ( -9.123 -3.498 -1.855) 9.946 32.687 ( -9.123 -3.498 1.855) 9.946 35.362 ( 1.893 2.739 -4.513) 5.608 35.362 ( 1.893 2.739 4.513) 5.608 35.393 ( -1.262 4.455 -4.594) 6.523 35.393 ( -1.262 4.455 4.594) 6.523 35.720 ( 5.387 -3.419 -4.791) 7.979 35.720 ( 5.387 -3.419 4.791) 7.979 35.792 ( -1.308 0.194 -3.808) 4.031 35.792 ( -1.308 0.194 3.808) 4.031 36.025 ( 1.876 7.812 -4.208) 9.069 36.025 ( 1.876 7.812 4.208) 9.069 36.112 ( -6.311 17.445 -6.686) 19.719 36.112 ( -6.311 17.445 6.686) 19.719 36.855 ( 18.626 -7.500 -7.187) 21.327 36.855 ( 18.626 -7.500 7.187) 21.327 37.243 ( -19.168 -8.995 -8.708) 22.894 37.243 ( -19.168 -8.995 8.708) 22.894 ======================= Grid point 98 (33/36) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.000 13.894 -12.990) 19.021 1.233 ( 0.000 13.894 12.990) 19.021 1.234 ( 0.000 10.792 -15.389) 18.796 1.234 ( 0.000 10.792 15.389) 18.796 1.533 ( 0.000 -12.658 -11.572) 17.150 1.533 ( 0.000 -12.658 11.572) 17.150 1.557 ( 0.000 -17.904 -4.547) 18.472 1.557 ( 0.000 -17.904 4.547) 18.472 2.198 ( 0.000 5.369 -3.819) 6.589 2.198 ( 0.000 5.369 3.819) 6.589 2.270 ( 0.000 -1.200 -5.582) 5.710 2.270 ( 0.000 -1.200 5.582) 5.710 2.410 ( 0.000 7.133 -5.107) 8.772 2.410 ( 0.000 7.133 5.107) 8.772 2.520 ( 0.000 8.772 -12.766) 15.489 2.520 ( 0.000 8.772 12.766) 15.489 2.530 ( 0.000 -3.837 -5.050) 6.343 2.530 ( 0.000 -3.837 5.050) 6.343 2.601 ( 0.000 1.543 -9.134) 9.264 2.601 ( 0.000 1.543 9.134) 9.264 2.747 ( 0.000 -2.888 -4.963) 5.742 2.747 ( 0.000 -2.888 4.963) 5.742 2.773 ( 0.000 -7.631 -3.668) 8.466 2.773 ( 0.000 -7.631 3.668) 8.466 2.920 ( 0.000 -3.009 -0.153) 3.013 2.920 ( 0.000 -3.009 0.153) 3.013 2.924 ( 0.000 -1.416 -7.371) 7.505 2.924 ( 0.000 -1.416 7.371) 7.505 3.347 ( 0.000 6.543 -6.904) 9.512 3.347 ( 0.000 6.543 6.904) 9.512 3.455 ( 0.000 -2.420 -6.233) 6.686 3.455 ( 0.000 -2.420 6.233) 6.686 3.498 ( 0.000 0.052 -5.515) 5.515 3.498 ( 0.000 0.052 5.515) 5.515 3.540 ( 0.000 -4.592 -3.386) 5.705 3.540 ( 0.000 -4.592 3.386) 5.705 3.813 ( 0.000 4.761 -3.256) 5.768 3.813 ( 0.000 4.761 3.256) 5.768 3.905 ( 0.000 -3.377 -1.970) 3.909 3.905 ( 0.000 -3.377 1.970) 3.909 4.154 ( 0.000 4.232 -9.272) 10.192 4.154 ( 0.000 4.232 9.272) 10.192 4.260 ( 0.000 -4.897 -8.058) 9.430 4.260 ( 0.000 -4.897 8.058) 9.430 4.549 ( 0.000 4.418 -6.165) 7.585 4.549 ( 0.000 4.418 6.165) 7.585 4.600 ( 0.000 0.795 -2.376) 2.506 4.600 ( 0.000 0.795 2.376) 2.506 4.865 ( 0.000 1.716 -2.678) 3.181 4.865 ( 0.000 1.716 2.678) 3.181 4.895 ( 0.000 -1.216 -2.406) 2.696 4.895 ( 0.000 -1.216 2.406) 2.696 5.177 ( 0.000 5.316 -5.554) 7.688 5.177 ( 0.000 5.316 5.554) 7.688 5.192 ( 0.000 6.215 -4.589) 7.726 5.192 ( 0.000 6.215 4.589) 7.726 5.347 ( 0.000 -4.889 -14.045) 14.871 5.347 ( 0.000 -4.889 14.045) 14.871 5.375 ( 0.000 -5.903 -5.216) 7.877 5.375 ( 0.000 -5.903 5.216) 7.877 5.919 ( 0.000 -0.574 -9.800) 9.817 5.919 ( 0.000 -0.574 9.800) 9.817 5.964 ( 0.000 -5.132 -3.231) 6.064 5.964 ( 0.000 -5.132 3.231) 6.064 6.281 ( 0.000 1.551 -2.450) 2.900 6.281 ( 0.000 1.551 2.450) 2.900 6.310 ( 0.000 -1.237 -0.968) 1.570 6.310 ( 0.000 -1.237 0.968) 1.570 6.632 ( 0.000 2.764 -7.982) 8.447 6.632 ( 0.000 2.764 7.982) 8.447 6.668 ( 0.000 -0.476 -5.735) 5.755 6.668 ( 0.000 -0.476 5.735) 5.755 8.083 ( 0.000 1.327 -2.217) 2.583 8.083 ( 0.000 1.327 2.217) 2.583 8.108 ( 0.000 -0.996 -1.790) 2.048 8.108 ( 0.000 -0.996 1.790) 2.048 8.362 ( 0.000 2.957 -1.273) 3.219 8.362 ( 0.000 2.957 1.273) 3.219 8.437 ( 0.000 -4.070 -1.734) 4.424 8.437 ( 0.000 -4.070 1.734) 4.424 9.124 ( 0.000 0.469 -1.373) 1.451 9.124 ( 0.000 0.469 1.373) 1.451 9.137 ( 0.000 -0.893 -0.695) 1.132 9.137 ( 0.000 -0.893 0.695) 1.132 9.420 ( 0.000 3.604 -2.515) 4.394 9.420 ( 0.000 3.604 2.515) 4.394 9.504 ( 0.000 -4.386 -2.899) 5.258 9.504 ( 0.000 -4.386 2.899) 5.258 9.962 ( 0.000 1.430 -4.669) 4.883 9.962 ( 0.000 1.430 4.669) 4.883 9.967 ( 0.000 0.771 -2.876) 2.977 9.967 ( 0.000 0.771 2.876) 2.977 10.120 ( 0.000 0.227 -6.583) 6.587 10.120 ( 0.000 0.227 6.583) 6.587 10.138 ( 0.000 -1.340 -8.170) 8.279 10.138 ( 0.000 -1.340 8.170) 8.279 10.823 ( 0.000 2.284 -2.531) 3.409 10.823 ( 0.000 2.284 2.531) 3.409 10.857 ( 0.000 -0.875 -1.364) 1.621 10.857 ( 0.000 -0.875 1.364) 1.621 11.103 ( 0.000 -0.651 -6.286) 6.320 11.103 ( 0.000 -0.651 6.286) 6.320 11.118 ( 0.000 -2.279 -4.287) 4.854 11.118 ( 0.000 -2.279 4.287) 4.854 11.810 ( 0.000 0.955 -1.193) 1.528 11.810 ( 0.000 0.955 1.193) 1.528 11.820 ( 0.000 -0.159 -2.599) 2.604 11.820 ( 0.000 -0.159 2.599) 2.604 12.168 ( 0.000 0.933 -1.438) 1.714 12.168 ( 0.000 0.933 1.438) 1.714 12.186 ( 0.000 -0.297 -5.038) 5.047 12.186 ( 0.000 -0.297 5.038) 5.047 12.381 ( 0.000 0.383 -2.059) 2.094 12.381 ( 0.000 0.383 2.059) 2.094 12.417 ( 0.000 -2.592 -0.611) 2.663 12.417 ( 0.000 -2.592 0.611) 2.663 12.786 ( 0.000 0.564 -3.637) 3.680 12.786 ( 0.000 0.564 3.637) 3.680 12.795 ( 0.000 -0.267 -6.438) 6.444 12.795 ( 0.000 -0.267 6.438) 6.444 13.155 ( 0.000 0.654 -14.254) 14.269 13.155 ( 0.000 0.654 14.254) 14.269 13.177 ( 0.000 -1.389 -14.241) 14.309 13.177 ( 0.000 -1.389 14.241) 14.309 14.266 ( 0.000 3.322 -4.717) 5.769 14.266 ( 0.000 3.322 4.717) 5.769 14.306 ( 0.000 -0.180 -3.956) 3.960 14.306 ( 0.000 -0.180 3.956) 3.960 14.436 ( 0.000 -0.271 -1.743) 1.764 14.436 ( 0.000 -0.271 1.743) 1.764 14.441 ( 0.000 -0.876 -3.106) 3.227 14.441 ( 0.000 -0.876 3.106) 3.227 14.948 ( 0.000 7.102 -9.909) 12.191 14.948 ( 0.000 7.102 9.909) 12.191 15.114 ( 0.000 -8.527 -7.235) 11.183 15.114 ( 0.000 -8.527 7.235) 11.183 15.756 ( 0.000 1.333 -1.272) 1.842 15.756 ( 0.000 1.333 1.272) 1.842 15.805 ( 0.000 -3.747 -3.522) 5.143 15.805 ( 0.000 -3.747 3.522) 5.143 16.310 ( 0.000 1.187 -0.647) 1.352 16.310 ( 0.000 1.187 0.647) 1.352 16.336 ( 0.000 -1.217 -0.763) 1.437 16.336 ( 0.000 -1.217 0.763) 1.437 16.885 ( 0.000 0.752 -1.087) 1.322 16.885 ( 0.000 0.752 1.087) 1.322 16.892 ( 0.000 0.175 -1.446) 1.456 16.892 ( 0.000 0.175 1.446) 1.456 17.164 ( 0.000 0.815 -0.926) 1.234 17.164 ( 0.000 0.815 0.926) 1.234 17.183 ( 0.000 -0.926 -2.233) 2.417 17.183 ( 0.000 -0.926 2.233) 2.417 19.598 ( 0.000 1.131 -4.775) 4.907 19.598 ( 0.000 1.131 4.775) 4.907 19.626 ( 0.000 -1.590 -4.176) 4.469 19.626 ( 0.000 -1.590 4.176) 4.469 21.233 ( 0.000 2.556 -0.448) 2.595 21.233 ( 0.000 2.556 0.448) 2.595 21.292 ( 0.000 -3.014 -0.270) 3.026 21.292 ( 0.000 -3.014 0.270) 3.026 21.837 ( 0.000 9.724 -4.382) 10.666 21.837 ( 0.000 9.724 4.382) 10.666 22.009 ( 0.000 -6.824 -3.038) 7.470 22.009 ( 0.000 -6.824 3.038) 7.470 23.361 ( 0.000 2.499 -0.214) 2.508 23.361 ( 0.000 2.499 0.214) 2.508 23.423 ( 0.000 -3.184 -0.560) 3.233 23.423 ( 0.000 -3.184 0.560) 3.233 26.351 ( 0.000 0.154 -0.058) 0.165 26.351 ( 0.000 0.154 0.058) 0.165 26.353 ( 0.000 -0.066 -0.099) 0.119 26.353 ( 0.000 -0.066 0.099) 0.119 28.827 ( 0.000 0.626 -7.665) 7.690 28.827 ( 0.000 0.626 7.665) 7.690 28.833 ( 0.000 0.150 -6.914) 6.916 28.833 ( 0.000 0.150 6.914) 6.916 29.339 ( 0.000 17.316 -8.220) 19.167 29.339 ( 0.000 17.316 8.220) 19.167 29.719 ( 0.000 -16.538 -2.975) 16.804 29.719 ( 0.000 -16.538 2.975) 16.804 30.080 ( 0.000 2.432 -5.274) 5.807 30.080 ( 0.000 2.432 5.274) 5.807 30.119 ( 0.000 -1.122 -0.529) 1.241 30.119 ( 0.000 -1.122 0.529) 1.241 30.217 ( 0.000 3.472 -1.721) 3.875 30.217 ( 0.000 3.472 1.721) 3.875 30.390 ( 0.000 -14.533 -15.213) 21.039 30.390 ( 0.000 -14.533 15.213) 21.039 31.362 ( 0.000 -0.221 -2.100) 2.111 31.362 ( 0.000 -0.221 2.100) 2.111 31.418 ( 0.000 -6.761 -9.241) 11.450 31.418 ( 0.000 -6.761 9.241) 11.450 31.754 ( 0.000 1.784 -1.048) 2.069 31.754 ( 0.000 1.784 1.048) 2.069 31.822 ( 0.000 -7.158 -9.366) 11.788 31.822 ( 0.000 -7.158 9.366) 11.788 32.682 ( 0.000 7.508 -0.449) 7.522 32.682 ( 0.000 7.508 0.449) 7.522 32.855 ( 0.000 -8.859 -2.201) 9.128 32.855 ( 0.000 -8.859 2.201) 9.128 35.275 ( 0.000 2.649 -4.072) 4.858 35.275 ( 0.000 2.649 4.072) 4.858 35.329 ( 0.000 -2.379 -3.912) 4.578 35.329 ( 0.000 -2.379 3.912) 4.578 35.642 ( 0.000 8.746 -8.829) 12.428 35.642 ( 0.000 8.746 8.829) 12.428 35.805 ( 0.000 -6.362 -7.640) 9.941 35.805 ( 0.000 -6.362 7.640) 9.941 35.942 ( 0.000 3.106 -5.496) 6.313 35.942 ( 0.000 3.106 5.496) 6.313 36.021 ( 0.000 -4.379 -6.915) 8.185 36.021 ( 0.000 -4.379 6.915) 8.185 37.417 ( 0.000 23.956 -31.531) 39.599 37.417 ( 0.000 23.956 31.531) 39.599 37.777 ( 0.000 -12.388 -23.019) 26.140 37.777 ( 0.000 -12.388 23.019) 26.140 ======================= Grid point 100 (34/36) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 7.136 9.863 -11.004) 16.410 1.279 ( 7.135 9.863 11.004) 16.410 1.473 ( 15.789 9.799 -8.802) 20.562 1.473 ( 15.789 9.799 8.802) 20.562 1.560 ( 5.228 -14.037 -2.651) 15.211 1.560 ( 5.228 -14.037 2.651) 15.211 1.721 ( 11.129 -12.076 -7.100) 17.891 1.721 ( 11.129 -12.076 7.100) 17.891 2.196 ( 2.548 6.174 -5.609) 8.723 2.196 ( 2.548 6.174 5.609) 8.723 2.279 ( 2.818 -0.350 -6.722) 7.297 2.279 ( 2.818 -0.350 6.722) 7.297 2.406 ( -1.484 4.723 -8.618) 9.939 2.406 ( -1.484 4.723 8.618) 9.939 2.475 ( -0.593 0.825 -7.156) 7.228 2.475 ( -0.593 0.825 7.156) 7.228 2.583 ( -1.088 0.857 -7.587) 7.712 2.583 ( -1.088 0.857 7.587) 7.712 2.630 ( 4.285 0.023 -2.209) 4.821 2.630 ( 4.285 0.023 2.209) 4.821 2.727 ( 0.431 -1.457 -5.261) 5.476 2.727 ( 0.431 -1.457 5.261) 5.476 2.829 ( 5.579 -6.951 -4.950) 10.196 2.829 ( 5.579 -6.951 4.950) 10.196 3.015 ( 10.854 3.711 -3.090) 11.880 3.015 ( 10.854 3.711 3.090) 11.880 3.116 ( 12.190 -4.428 -3.311) 13.385 3.116 ( 12.190 -4.428 3.311) 13.385 3.344 ( -0.121 5.059 -6.540) 8.269 3.344 ( -0.121 5.059 6.540) 8.269 3.431 ( -1.508 -2.490 -2.942) 4.138 3.431 ( -1.508 -2.490 2.942) 4.138 3.494 ( 0.022 1.145 -4.114) 4.270 3.494 ( 0.022 1.145 4.114) 4.270 3.552 ( 0.507 -4.261 -3.113) 5.301 3.552 ( 0.507 -4.261 3.113) 5.301 3.787 ( -2.400 4.332 -2.665) 5.624 3.787 ( -2.400 4.332 2.665) 5.624 3.870 ( -3.288 -2.959 -2.680) 5.172 3.870 ( -3.288 -2.959 2.680) 5.172 4.143 ( -1.211 2.708 -7.481) 8.047 4.143 ( -1.211 2.708 7.481) 8.047 4.221 ( -3.150 -4.043 -8.062) 9.553 4.221 ( -3.150 -4.043 8.062) 9.553 4.503 ( -4.239 5.104 -5.048) 8.336 4.503 ( -4.239 5.104 5.048) 8.336 4.570 ( -3.133 -0.149 -1.413) 3.440 4.570 ( -3.133 -0.149 1.413) 3.440 4.836 ( -3.258 1.589 -1.031) 3.768 4.836 ( -3.258 1.589 1.031) 3.768 4.865 ( -2.628 -1.521 -3.012) 4.277 4.865 ( -2.628 -1.521 3.012) 4.277 5.110 ( -3.922 4.338 -2.440) 6.337 5.110 ( -3.922 4.338 2.440) 6.337 5.196 ( -5.075 -1.850 -4.024) 6.736 5.196 ( -5.075 -1.850 4.024) 6.736 5.323 ( 4.437 3.253 -3.347) 6.440 5.323 ( 4.437 3.253 3.347) 6.440 5.454 ( 4.407 -6.971 -1.598) 8.400 5.454 ( 4.407 -6.971 1.598) 8.400 5.861 ( -4.746 1.913 -8.086) 9.569 5.861 ( -4.746 1.913 8.086) 9.569 5.931 ( -4.005 -4.582 -2.981) 6.777 5.931 ( -4.005 -4.582 2.981) 6.777 6.262 ( -0.111 3.230 -0.295) 3.245 6.262 ( -0.111 3.230 0.295) 3.245 6.323 ( 1.368 -2.703 -1.801) 3.524 6.323 ( 1.368 -2.703 1.801) 3.524 6.656 ( 1.670 2.524 -8.198) 8.739 6.656 ( 1.670 2.524 8.198) 8.739 6.692 ( 1.952 -0.631 -6.156) 6.489 6.692 ( 1.952 -0.631 6.156) 6.489 8.103 ( 2.181 2.013 -1.600) 3.372 8.103 ( 2.181 2.013 1.600) 3.372 8.145 ( 3.067 -1.841 -0.663) 3.638 8.145 ( 3.067 -1.841 0.663) 3.638 8.371 ( 0.732 2.738 -0.927) 2.981 8.371 ( 0.732 2.738 0.927) 2.981 8.439 ( 0.084 -3.586 -1.129) 3.761 8.439 ( 0.084 -3.586 1.129) 3.761 9.066 ( -5.000 0.931 -0.877) 5.161 9.066 ( -5.000 0.931 0.877) 5.161 9.091 ( -4.205 -1.550 -1.114) 4.618 9.091 ( -4.205 -1.550 1.114) 4.618 9.370 ( -5.155 3.334 -1.820) 6.403 9.370 ( -5.155 3.334 1.820) 6.403 9.450 ( -5.641 -4.190 -2.336) 7.405 9.450 ( -5.641 -4.190 2.336) 7.405 9.972 ( 1.303 1.448 -3.645) 4.133 9.972 ( 1.303 1.448 3.645) 4.133 9.993 ( 2.030 -0.242 -2.908) 3.555 9.993 ( 2.030 -0.242 2.908) 3.555 10.110 ( -0.287 0.984 -5.701) 5.793 10.110 ( -0.287 0.984 5.701) 5.793 10.138 ( 0.264 -1.471 -6.770) 6.933 10.138 ( 0.264 -1.471 6.770) 6.933 10.778 ( -3.471 3.195 -2.285) 5.242 10.778 ( -3.471 3.195 2.285) 5.242 10.837 ( -2.056 -2.142 -1.348) 3.260 10.837 ( -2.056 -2.142 1.348) 3.260 11.042 ( -5.630 0.282 -5.078) 7.587 11.042 ( -5.630 0.282 5.078) 7.587 11.067 ( -5.198 -2.050 -4.601) 7.238 11.067 ( -5.198 -2.050 4.601) 7.238 11.833 ( 1.500 1.292 -2.563) 3.239 11.833 ( 1.500 1.292 2.563) 3.239 11.854 ( 3.923 -0.445 -1.167) 4.117 11.854 ( 3.923 -0.445 1.167) 4.117 12.124 ( -2.299 1.595 -2.150) 3.528 12.124 ( -2.299 1.595 2.150) 3.528 12.158 ( -2.162 -1.188 -4.788) 5.386 12.158 ( -2.162 -1.188 4.788) 5.386 12.366 ( -1.100 0.553 -1.184) 1.708 12.366 ( -1.100 0.553 1.184) 1.708 12.401 ( -1.633 -2.328 -1.736) 3.332 12.401 ( -1.633 -2.328 1.736) 3.332 12.766 ( -2.071 0.767 -2.740) 3.519 12.766 ( -2.071 0.767 2.740) 3.519 12.778 ( -1.910 -0.414 -4.900) 5.276 12.778 ( -1.910 -0.414 4.900) 5.276 13.232 ( 7.110 0.395 -13.509) 15.271 13.232 ( 7.110 0.395 13.509) 15.271 13.246 ( 6.598 -0.985 -13.491) 15.051 13.246 ( 6.598 -0.985 13.491) 15.051 14.228 ( -3.078 1.577 -5.809) 6.761 14.228 ( -3.078 1.577 5.809) 6.761 14.241 ( -4.356 0.401 -4.565) 6.323 14.241 ( -4.356 0.401 4.565) 6.323 14.592 ( 12.796 2.852 -0.862) 13.138 14.592 ( 12.796 2.852 0.862) 13.138 14.662 ( 14.575 -3.621 -3.088) 15.332 14.662 ( 14.575 -3.621 3.088) 15.332 14.986 ( 3.553 7.646 -7.400) 11.218 14.986 ( 3.553 7.646 7.400) 11.218 15.166 ( 4.508 -9.384 -4.373) 11.291 15.166 ( 4.508 -9.384 4.373) 11.291 15.794 ( 3.918 0.567 -1.529) 4.244 15.794 ( 3.918 0.567 1.529) 4.244 15.819 ( 1.896 -2.042 -1.767) 3.300 15.819 ( 1.896 -2.042 1.767) 3.300 16.315 ( 0.338 0.588 -0.523) 0.857 16.315 ( 0.338 0.588 0.523) 0.857 16.336 ( 0.114 -1.272 -0.347) 1.324 16.336 ( 0.114 -1.272 0.347) 1.324 16.925 ( 3.096 0.584 -0.468) 3.185 16.925 ( 3.096 0.584 0.468) 3.185 16.934 ( 3.654 -0.243 -0.536) 3.701 16.934 ( 3.654 -0.243 0.536) 3.701 17.160 ( -0.134 1.049 -1.165) 1.573 17.160 ( -0.134 1.049 1.165) 1.573 17.181 ( -0.034 -0.913 -2.212) 2.393 17.181 ( -0.034 -0.913 2.212) 2.393 19.624 ( 2.849 1.143 -3.573) 4.710 19.624 ( 2.849 1.143 3.573) 4.710 19.658 ( 3.611 -2.217 -2.702) 5.025 19.658 ( 3.611 -2.217 2.702) 5.025 21.009 ( -16.977 4.009 -0.303) 17.447 21.009 ( -16.977 4.009 0.303) 17.447 21.092 ( -15.823 -3.957 -0.314) 16.313 21.092 ( -15.823 -3.957 0.314) 16.313 22.051 ( 16.087 8.215 -3.491) 18.397 22.051 ( 16.087 8.215 3.491) 18.397 22.200 ( 14.964 -6.041 -2.607) 16.347 22.200 ( 14.964 -6.041 2.607) 16.347 23.300 ( -5.583 3.521 -0.388) 6.612 23.300 ( -5.583 3.521 0.388) 6.612 23.377 ( -4.463 -3.631 -0.655) 5.790 23.377 ( -4.463 -3.631 0.655) 5.790 26.475 ( 11.636 1.562 -1.336) 11.816 26.475 ( 11.636 1.562 1.336) 11.816 26.517 ( 14.543 -2.431 -3.093) 15.066 26.517 ( 14.543 -2.431 3.093) 15.066 28.517 ( -20.811 5.657 -1.388) 21.611 28.517 ( -20.811 5.657 1.388) 21.611 28.640 ( -19.074 -5.954 -1.828) 20.065 28.640 ( -19.074 -5.954 1.828) 20.065 29.570 ( 16.227 14.517 -3.910) 22.121 29.570 ( 16.227 14.517 3.910) 22.121 29.842 ( 9.540 -9.590 -4.956) 14.407 29.842 ( 9.540 -9.590 4.956) 14.407 30.099 ( 2.307 3.501 -4.963) 6.497 30.099 ( 2.307 3.501 4.963) 6.497 30.162 ( 4.609 -1.528 -1.746) 5.160 30.162 ( 4.609 -1.528 1.746) 5.160 30.277 ( 5.352 3.314 -1.756) 6.536 30.277 ( 5.352 3.314 1.756) 6.536 30.478 ( 6.870 -16.049 -12.326) 21.370 30.478 ( 6.870 -16.049 12.326) 21.370 31.197 ( -11.859 0.743 -1.595) 11.988 31.197 ( -11.859 0.743 1.595) 11.988 31.279 ( -11.446 -9.201 -8.677) 17.058 31.279 ( -11.446 -9.201 8.677) 17.058 31.877 ( 10.029 3.788 -0.717) 10.744 31.877 ( 10.029 3.788 0.717) 10.744 31.977 ( 10.753 -6.758 -6.608) 14.316 31.977 ( 10.753 -6.758 6.608) 14.316 32.652 ( -2.877 7.326 -0.556) 7.890 32.652 ( -2.877 7.326 0.556) 7.890 32.820 ( -3.394 -8.505 -2.104) 9.396 32.820 ( -3.394 -8.505 2.104) 9.396 35.304 ( 2.767 3.257 -4.063) 5.897 35.304 ( 2.767 3.257 4.063) 5.897 35.375 ( 4.203 -3.230 -4.063) 6.679 35.375 ( 4.203 -3.230 4.063) 6.679 35.624 ( -1.572 8.760 -8.275) 12.153 35.624 ( -1.572 8.760 8.275) 12.153 35.790 ( -1.015 -5.363 -7.176) 9.016 35.790 ( -1.015 -5.363 7.176) 9.016 35.998 ( 4.005 2.426 -4.624) 6.580 35.998 ( 4.005 2.426 4.624) 6.580 36.089 ( 7.389 -4.659 -6.172) 10.695 36.089 ( 7.389 -4.659 6.172) 10.695 37.251 ( -14.609 25.471 -24.902) 38.501 37.251 ( -14.609 25.471 24.902) 38.501 37.653 ( -11.656 -14.424 -19.168) 26.671 37.653 ( -11.656 -14.424 19.168) 26.671 ======================= Grid point 102 (35/36) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 11.307 7.460 -10.682) 17.251 1.479 ( 11.307 7.460 10.682) 17.251 1.675 ( 7.036 -8.885 -5.967) 12.808 1.675 ( 7.036 -8.885 5.967) 12.808 1.771 ( 10.750 4.978 -6.236) 13.388 1.771 ( 10.750 4.978 6.236) 13.388 1.918 ( 8.399 -8.056 -2.786) 11.967 1.918 ( 8.399 -8.056 2.786) 11.967 2.242 ( 0.217 5.272 -4.322) 6.821 2.242 ( 0.217 5.272 4.322) 6.821 2.321 ( -3.760 -1.052 -3.099) 4.985 2.321 ( -3.760 -1.052 3.099) 4.985 2.438 ( 1.892 -1.545 -6.913) 7.332 2.438 ( 1.892 -1.545 6.913) 7.332 2.444 ( -1.473 -1.587 -4.994) 5.443 2.444 ( -1.473 -1.587 4.994) 5.443 2.624 ( 8.056 5.550 -2.091) 10.003 2.624 ( 8.056 5.550 2.091) 10.003 2.746 ( 8.367 -3.456 -1.364) 9.155 2.746 ( 8.367 -3.456 1.364) 9.155 2.833 ( 9.805 4.756 -3.054) 11.317 2.833 ( 9.805 4.756 3.054) 11.317 2.968 ( 7.667 -5.982 -2.844) 10.132 2.968 ( 7.667 -5.982 2.844) 10.132 3.199 ( 4.336 4.897 -0.645) 6.573 3.199 ( 4.336 4.897 0.645) 6.573 3.310 ( 1.690 -3.516 -3.117) 4.993 3.310 ( 1.690 -3.516 3.117) 4.993 3.359 ( 2.761 1.659 -1.692) 3.638 3.359 ( 2.761 1.659 1.692) 3.638 3.420 ( 1.316 -2.285 -3.733) 4.570 3.420 ( 1.316 -2.285 3.733) 4.570 3.494 ( 0.182 1.775 -6.684) 6.918 3.494 ( 0.182 1.775 6.684) 6.918 3.565 ( 1.373 -3.668 -6.265) 7.388 3.565 ( 1.373 -3.668 6.265) 7.388 3.762 ( 2.131 3.265 -1.459) 4.163 3.762 ( 2.131 3.265 1.459) 4.163 3.827 ( 0.632 -1.901 -3.459) 3.997 3.827 ( 0.632 -1.901 3.459) 3.997 4.102 ( -2.022 1.438 -4.070) 4.767 4.102 ( -2.022 1.438 4.070) 4.767 4.160 ( -2.779 -3.384 -7.340) 8.547 4.160 ( -2.779 -3.384 7.340) 8.547 4.390 ( -6.429 4.833 -5.497) 9.742 4.390 ( -6.429 4.833 5.497) 9.742 4.479 ( -5.390 -2.401 -3.432) 6.826 4.479 ( -5.390 -2.401 3.432) 6.826 4.753 ( -3.620 2.605 -3.672) 5.777 4.753 ( -3.620 2.605 3.672) 5.777 4.804 ( -3.145 -2.237 -5.243) 6.510 4.804 ( -3.145 -2.237 5.243) 6.510 5.020 ( -4.921 2.559 -1.531) 5.754 5.020 ( -4.921 2.559 1.531) 5.754 5.083 ( -5.338 -3.225 -1.190) 6.349 5.083 ( -5.338 -3.225 1.190) 6.349 5.415 ( 2.278 2.808 -3.054) 4.733 5.415 ( 2.278 2.808 3.054) 4.733 5.502 ( -1.046 -5.150 -1.347) 5.425 5.502 ( -1.046 -5.150 1.347) 5.425 5.776 ( -2.548 3.379 -6.578) 7.822 5.776 ( -2.548 3.379 6.578) 7.822 5.836 ( -3.530 -2.197 -5.024) 6.521 5.836 ( -3.530 -2.197 5.024) 6.521 6.319 ( 5.619 2.818 -2.821) 6.890 6.319 ( 5.619 2.818 2.821) 6.890 6.374 ( 3.728 -2.335 -5.019) 6.674 6.374 ( 3.728 -2.335 5.019) 6.674 6.681 ( 0.580 2.767 -7.877) 8.369 6.681 ( 0.580 2.767 7.877) 8.369 6.722 ( 0.587 -1.033 -5.789) 5.910 6.722 ( 0.587 -1.033 5.789) 5.910 8.169 ( 4.116 2.362 -1.854) 5.095 8.169 ( 4.116 2.362 1.854) 5.095 8.222 ( 4.374 -2.540 -1.633) 5.315 8.222 ( 4.374 -2.540 1.633) 5.315 8.379 ( -0.376 2.276 -0.872) 2.466 8.379 ( -0.376 2.276 0.872) 2.466 8.432 ( -1.040 -2.636 -0.655) 2.908 8.432 ( -1.040 -2.636 0.655) 2.908 8.958 ( -4.702 1.503 -0.383) 4.951 8.958 ( -4.702 1.503 0.383) 4.951 8.995 ( -4.520 -1.981 -1.373) 5.123 8.995 ( -4.520 -1.981 1.373) 5.123 9.219 ( -8.840 2.342 -0.750) 9.176 9.219 ( -8.840 2.342 0.750) 9.176 9.283 ( -9.823 -3.649 -1.140) 10.541 9.283 ( -9.823 -3.649 1.140) 10.541 10.002 ( 1.360 0.983 -4.314) 4.629 10.002 ( 1.360 0.983 4.314) 4.629 10.027 ( 0.983 -1.268 -2.881) 3.297 10.027 ( 0.983 -1.268 2.881) 3.297 10.140 ( 3.160 1.122 -4.471) 5.589 10.140 ( 3.160 1.122 4.471) 5.589 10.163 ( 2.171 -0.954 -6.436) 6.859 10.163 ( 2.171 -0.954 6.436) 6.859 10.713 ( -2.469 3.632 -1.829) 4.758 10.713 ( -2.469 3.632 1.829) 4.758 10.785 ( -2.794 -3.005 -0.655) 4.155 10.785 ( -2.794 -3.005 0.655) 4.155 10.897 ( -7.757 0.887 -4.492) 9.008 10.897 ( -7.757 0.887 4.492) 9.008 10.921 ( -8.352 -1.233 -3.676) 9.208 10.921 ( -8.352 -1.233 3.676) 9.208 11.877 ( 2.730 3.540 -2.109) 4.943 11.877 ( 2.730 3.540 2.109) 4.943 11.947 ( 4.683 -2.969 -1.603) 5.772 11.947 ( 4.683 -2.969 1.603) 5.772 12.113 ( -1.945 0.941 -2.182) 3.071 12.113 ( -1.945 0.941 2.182) 3.071 12.126 ( 1.321 -0.330 -2.436) 2.791 12.126 ( 1.321 -0.330 2.436) 2.791 12.352 ( 0.001 0.323 -2.033) 2.058 12.352 ( 0.001 0.323 2.033) 2.058 12.378 ( 0.977 -1.938 -2.365) 3.210 12.378 ( 0.977 -1.938 2.365) 3.210 12.700 ( -4.459 0.606 -1.483) 4.739 12.700 ( -4.459 0.606 1.483) 4.739 12.710 ( -4.814 -0.370 -2.819) 5.591 12.710 ( -4.814 -0.370 2.819) 5.591 13.419 ( 10.768 0.246 -12.362) 16.396 13.419 ( 10.768 0.246 12.362) 16.396 13.426 ( 10.644 -0.405 -12.138) 16.148 13.426 ( 10.644 -0.405 12.138) 16.148 14.118 ( -7.942 0.945 -7.269) 10.808 14.118 ( -7.942 0.945 7.269) 10.808 14.123 ( -7.623 0.419 -7.924) 11.003 14.123 ( -7.623 0.419 7.924) 11.003 14.839 ( 10.404 3.524 -1.093) 11.038 14.839 ( 10.404 3.524 1.093) 11.038 14.917 ( 10.089 -3.701 -2.000) 10.931 14.917 ( 10.089 -3.701 2.000) 10.931 15.068 ( 3.523 7.505 -2.250) 8.590 15.068 ( 3.523 7.505 2.250) 8.590 15.241 ( 1.437 -8.700 -1.773) 8.994 15.241 ( 1.437 -8.700 1.773) 8.994 15.902 ( 6.700 0.765 -1.452) 6.898 15.902 ( 6.700 0.765 1.452) 6.898 15.920 ( 8.026 -0.927 -2.666) 8.508 15.920 ( 8.026 -0.927 2.666) 8.508 16.305 ( -1.809 0.839 -0.987) 2.225 16.305 ( -1.809 0.839 0.987) 2.225 16.337 ( -0.921 -2.210 -2.807) 3.690 16.337 ( -0.921 -2.210 2.807) 3.690 16.983 ( 2.088 0.394 -0.593) 2.206 16.983 ( 2.088 0.394 0.593) 2.206 16.997 ( 1.873 -1.008 -0.677) 2.233 16.997 ( 1.873 -1.008 0.677) 2.233 17.175 ( 1.800 1.227 -1.514) 2.653 17.175 ( 1.800 1.227 1.514) 2.653 17.192 ( 1.281 -0.406 -2.348) 2.705 17.192 ( 1.281 -0.406 2.348) 2.705 19.729 ( 7.704 1.799 -1.518) 8.056 19.729 ( 7.704 1.799 1.518) 8.056 19.788 ( 9.246 -4.121 -0.888) 10.161 19.788 ( 9.246 -4.121 0.888) 10.161 20.651 ( -17.369 4.618 -0.447) 17.978 20.651 ( -17.369 4.618 0.447) 17.978 20.748 ( -17.099 -4.690 -0.561) 17.739 20.748 ( -17.099 -4.690 0.561) 17.739 22.387 ( 16.253 7.142 -2.243) 17.894 22.387 ( 16.253 7.142 2.243) 17.894 22.520 ( 15.600 -5.450 -1.907) 16.634 22.520 ( 15.600 -5.450 1.907) 16.634 23.154 ( -8.548 4.787 -0.615) 9.817 23.154 ( -8.548 4.787 0.615) 9.817 23.251 ( -7.803 -4.276 -0.567) 8.916 23.251 ( -7.803 -4.276 0.567) 8.916 26.784 ( 18.015 3.453 -3.291) 18.636 26.784 ( 18.015 3.453 3.291) 18.636 26.873 ( 19.334 -4.947 -6.769) 21.074 26.873 ( 19.334 -4.947 6.769) 21.074 28.075 ( -22.152 4.919 -1.365) 22.732 28.075 ( -22.152 4.919 1.365) 22.732 28.191 ( -23.577 -5.976 -1.616) 24.377 28.191 ( -23.577 -5.976 1.616) 24.377 29.873 ( 12.646 12.527 -2.565) 17.984 29.873 ( 12.646 12.527 2.565) 17.984 30.027 ( 7.519 2.526 -3.351) 8.611 30.027 ( 7.519 2.526 3.351) 8.611 30.197 ( 7.548 0.150 -4.756) 8.923 30.197 ( 7.548 0.150 4.756) 8.923 30.297 ( 8.075 -3.068 -2.388) 8.962 30.297 ( 8.075 -3.068 2.388) 8.962 30.405 ( 6.628 2.060 -2.568) 7.400 30.405 ( 6.628 2.060 2.568) 7.400 30.601 ( 4.294 -14.527 -10.099) 18.206 30.601 ( 4.294 -14.527 10.099) 18.206 30.949 ( -12.093 0.341 -1.167) 12.154 30.949 ( -12.093 0.341 1.167) 12.154 31.033 ( -12.062 -10.267 -7.716) 17.620 31.033 ( -12.062 -10.267 7.716) 17.620 32.085 ( 9.802 4.677 -1.535) 10.969 32.085 ( 9.802 4.677 1.535) 10.969 32.189 ( 9.767 -5.112 -3.418) 11.542 32.189 ( 9.767 -5.112 3.418) 11.542 32.571 ( -4.856 6.727 -0.870) 8.342 32.571 ( -4.856 6.727 0.870) 8.342 32.723 ( -5.973 -7.482 -1.739) 9.731 32.723 ( -5.973 -7.482 1.739) 9.731 35.377 ( 4.187 4.673 -4.402) 7.664 35.377 ( 4.187 4.673 4.402) 7.664 35.480 ( 5.596 -4.187 -4.472) 8.297 35.480 ( 5.596 -4.187 4.472) 8.297 35.588 ( -1.829 7.856 -7.214) 10.821 35.588 ( -1.829 7.856 7.214) 10.821 35.760 ( -2.101 -6.862 -7.520) 10.395 35.760 ( -2.101 -6.862 7.520) 10.395 36.106 ( 7.111 8.657 -4.841) 12.204 36.106 ( 7.111 8.657 4.841) 12.204 36.299 ( 12.423 -8.374 -5.837) 16.079 36.299 ( 12.423 -8.374 5.837) 16.079 36.910 ( -17.171 24.729 -14.925) 33.602 36.910 ( -17.171 24.729 14.925) 33.602 37.344 ( -17.687 -16.929 -13.410) 27.915 37.344 ( -17.687 -16.929 13.410) 27.915 ======================= Grid point 104 (36/36) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 9.046 3.559 -6.473) 11.679 1.694 ( 9.046 3.559 6.473) 11.679 1.782 ( 1.806 -3.373 -3.436) 5.142 1.782 ( 1.806 -3.373 3.436) 5.142 1.927 ( 5.080 2.339 -2.197) 6.009 1.927 ( 5.080 2.339 2.197) 6.009 2.019 ( -1.318 -4.435 -3.378) 5.729 2.019 ( -1.318 -4.435 3.378) 5.729 2.231 ( 1.216 2.796 -2.950) 4.243 2.231 ( 1.216 2.796 2.950) 4.243 2.283 ( -0.308 -0.136 -1.875) 1.905 2.283 ( -0.308 -0.136 1.875) 1.905 2.360 ( -1.212 -0.002 -1.061) 1.610 2.360 ( -1.212 -0.002 1.061) 1.610 2.421 ( -3.921 -3.848 -4.357) 7.012 2.421 ( -3.921 -3.848 4.357) 7.012 2.842 ( 9.936 3.469 -8.220) 13.354 2.842 ( 9.936 3.469 8.220) 13.354 2.907 ( 6.649 -1.646 -5.896) 9.038 2.907 ( 6.649 -1.646 5.896) 9.038 3.005 ( 3.678 2.859 -4.095) 6.203 3.005 ( 3.678 2.859 4.095) 6.203 3.117 ( -0.796 -6.142 -1.745) 6.434 3.117 ( -0.796 -6.142 1.745) 6.434 3.160 ( 0.059 4.233 -3.443) 5.456 3.160 ( 0.059 4.233 3.443) 5.456 3.242 ( -2.940 -2.153 -4.620) 5.884 3.242 ( -2.940 -2.153 4.620) 5.884 3.378 ( -0.999 1.040 -1.378) 1.995 3.378 ( -0.999 1.040 1.378) 1.995 3.426 ( -4.012 -2.716 -0.494) 4.870 3.426 ( -4.012 -2.716 0.494) 4.870 3.556 ( 8.033 5.493 -6.567) 11.740 3.556 ( 8.033 5.493 6.567) 11.740 3.645 ( 3.276 -0.932 -4.793) 5.880 3.645 ( 3.276 -0.932 4.793) 5.880 3.824 ( 1.859 -1.161 -3.640) 4.249 3.824 ( 1.859 -1.161 3.640) 4.249 3.871 ( 0.580 -2.866 -2.913) 4.127 3.871 ( 0.580 -2.866 2.913) 4.127 4.082 ( 0.948 3.358 -2.598) 4.350 4.082 ( 0.948 3.358 2.598) 4.350 4.137 ( -1.234 0.863 -3.352) 3.675 4.137 ( -1.234 0.863 3.352) 3.675 4.295 ( 0.159 -0.147 -0.700) 0.733 4.295 ( 0.159 -0.147 0.700) 0.733 4.372 ( -4.907 -4.788 -2.798) 7.405 4.372 ( -4.907 -4.788 2.798) 7.405 4.723 ( 0.620 2.081 -2.735) 3.492 4.723 ( 0.620 2.081 2.735) 3.492 4.751 ( -1.874 -0.396 -3.416) 3.916 4.751 ( -1.874 -0.396 3.416) 3.916 4.932 ( -2.414 0.308 -2.141) 3.241 4.932 ( -2.414 0.308 2.141) 3.241 4.971 ( -5.335 -2.880 -1.763) 6.314 4.971 ( -5.335 -2.880 1.763) 6.314 5.416 ( -0.292 0.951 -2.986) 3.147 5.416 ( -0.292 0.951 2.986) 3.147 5.444 ( -2.941 -1.603 -0.980) 3.490 5.444 ( -2.941 -1.603 0.980) 3.490 5.761 ( 0.714 2.525 -3.740) 4.569 5.761 ( 0.714 2.525 3.740) 4.569 5.791 ( -1.860 -0.284 -1.946) 2.707 5.791 ( -1.860 -0.284 1.946) 2.707 6.443 ( 4.710 0.956 -1.631) 5.075 6.443 ( 4.710 0.956 1.631) 5.075 6.457 ( 3.196 -0.353 -3.645) 4.861 6.457 ( 3.196 -0.353 3.645) 4.861 6.685 ( 0.316 1.970 -4.691) 5.097 6.685 ( 0.316 1.970 4.691) 5.097 6.710 ( -1.589 -0.418 -2.279) 2.809 6.710 ( -1.589 -0.418 2.279) 2.809 8.260 ( 4.508 2.086 -1.813) 5.287 8.260 ( 4.508 2.086 1.813) 5.287 8.307 ( 2.938 -2.138 -2.057) 4.176 8.307 ( 2.938 -2.138 2.057) 4.176 8.351 ( -1.593 1.615 -1.110) 2.526 8.351 ( -1.593 1.615 1.110) 2.526 8.392 ( -2.789 -2.023 -1.531) 3.770 8.392 ( -2.789 -2.023 1.531) 3.770 8.901 ( -0.642 1.382 -0.064) 1.525 8.901 ( -0.642 1.382 0.064) 1.525 8.925 ( -2.442 -0.541 -1.139) 2.748 8.925 ( -2.442 -0.541 1.139) 2.748 9.074 ( -3.639 -0.037 -0.705) 3.707 9.074 ( -3.639 -0.037 0.705) 3.707 9.106 ( -6.272 -2.751 -0.343) 6.857 9.106 ( -6.272 -2.751 0.343) 6.857 10.028 ( 1.154 0.269 -2.345) 2.628 10.028 ( 1.154 0.269 2.345) 2.628 10.039 ( 0.178 -0.788 -0.770) 1.116 10.039 ( 0.178 -0.788 0.770) 1.116 10.199 ( 1.836 0.173 -1.199) 2.200 10.199 ( 1.836 0.173 1.199) 2.200 10.204 ( 1.233 -0.320 -3.842) 4.048 10.204 ( 1.233 -0.320 3.842) 4.048 10.691 ( 0.529 2.241 -2.385) 3.315 10.691 ( 0.529 2.241 2.385) 3.315 10.731 ( -2.584 -1.387 -0.699) 3.015 10.731 ( -2.584 -1.387 0.699) 3.015 10.771 ( -3.638 0.183 -3.381) 4.970 10.771 ( -3.638 0.183 3.381) 4.970 10.777 ( -4.429 -0.378 -1.618) 4.730 10.777 ( -4.429 -0.378 1.618) 4.730 11.946 ( 4.092 4.269 -1.486) 6.097 11.946 ( 4.092 4.269 1.486) 6.097 12.020 ( -0.357 0.088 -2.644) 2.669 12.020 ( -0.357 0.088 2.644) 2.669 12.063 ( 0.400 -0.890 -0.730) 1.219 12.063 ( 0.400 -0.890 0.730) 1.219 12.124 ( -2.561 -3.950 -1.822) 5.048 12.124 ( -2.561 -3.950 1.822) 5.048 12.415 ( 6.217 1.744 -1.794) 6.701 12.415 ( 6.217 1.744 1.794) 6.701 12.451 ( 4.991 -1.633 -1.512) 5.465 12.451 ( 4.991 -1.633 1.512) 5.465 12.584 ( -6.513 0.546 -2.722) 7.080 12.584 ( -6.513 0.546 2.722) 7.080 12.596 ( -5.893 -0.520 -2.869) 6.575 12.596 ( -5.893 -0.520 2.869) 6.575 13.647 ( 10.858 0.338 -10.401) 15.040 13.647 ( 10.858 0.338 10.401) 15.040 13.654 ( 10.788 -0.341 -10.047) 14.746 13.654 ( 10.788 -0.341 10.047) 14.746 13.926 ( -9.978 1.042 -9.062) 13.519 13.926 ( -9.978 1.042 9.062) 13.519 13.934 ( -10.090 0.278 -9.205) 13.660 13.934 ( -10.090 0.278 9.205) 13.660 15.005 ( 5.971 3.610 -0.820) 7.026 15.005 ( 5.971 3.610 0.820) 7.026 15.066 ( 2.108 0.513 -0.804) 2.314 15.066 ( 2.108 0.513 0.804) 2.314 15.114 ( 3.527 1.115 -0.485) 3.730 15.114 ( 3.527 1.115 0.485) 3.730 15.212 ( -3.870 -5.392 -1.862) 6.893 15.212 ( -3.870 -5.392 1.862) 6.893 16.067 ( 8.614 1.506 -2.714) 9.156 16.067 ( 8.614 1.506 2.714) 9.156 16.101 ( 8.895 -1.686 -3.920) 9.865 16.101 ( 8.895 -1.686 3.920) 9.865 16.227 ( -5.759 1.463 -2.534) 6.459 16.227 ( -5.759 1.463 2.534) 6.459 16.267 ( -5.987 -2.296 -4.531) 7.851 16.267 ( -5.987 -2.296 4.531) 7.851 17.009 ( 0.662 -0.263 -0.685) 0.989 17.009 ( 0.662 -0.263 0.685) 0.989 17.014 ( 0.159 -0.806 -0.716) 1.090 17.014 ( 0.159 -0.806 0.716) 1.090 17.214 ( 1.378 0.952 -0.830) 1.869 17.214 ( 1.378 0.952 0.830) 1.869 17.219 ( 0.832 0.412 -1.473) 1.741 17.219 ( 0.832 0.412 1.473) 1.741 19.926 ( 10.714 2.161 -0.525) 10.942 19.926 ( 10.714 2.161 0.525) 10.942 19.995 ( 8.238 -4.466 -0.243) 9.374 19.995 ( 8.238 -4.466 0.243) 9.374 20.345 ( -10.235 3.332 -0.158) 10.765 20.345 ( -10.235 3.332 0.158) 10.765 20.425 ( -13.923 -4.289 -0.632) 14.582 20.425 ( -13.923 -4.289 0.632) 14.582 22.696 ( 14.039 6.293 -0.979) 15.416 22.696 ( 14.039 6.293 0.979) 15.416 22.815 ( 13.321 -4.955 -1.004) 14.248 22.815 ( 13.321 -4.955 1.004) 14.248 22.954 ( -11.110 5.448 -0.118) 12.375 22.954 ( -11.110 5.448 0.118) 12.375 23.063 ( -10.714 -4.698 -0.084) 11.699 23.063 ( -10.714 -4.698 0.084) 11.699 27.179 ( 20.401 3.886 -3.521) 21.064 27.179 ( 20.401 3.886 3.521) 21.064 27.273 ( 19.499 -4.870 -6.615) 21.159 27.273 ( 19.499 -4.870 6.615) 21.159 27.632 ( -20.910 3.599 -2.464) 21.360 27.632 ( -20.910 3.599 2.464) 21.360 27.723 ( -21.936 -4.888 -4.069) 22.840 27.723 ( -21.936 -4.888 4.069) 22.840 30.067 ( 6.307 12.337 -4.946) 14.712 30.067 ( 6.307 12.337 4.946) 14.712 30.119 ( 1.218 11.419 -3.660) 12.053 30.119 ( 1.218 11.419 3.660) 12.053 30.373 ( 8.239 -4.776 -6.045) 11.280 30.373 ( 8.239 -4.776 6.045) 11.280 30.447 ( 3.772 -6.633 -3.812) 8.530 30.447 ( 3.772 -6.633 3.812) 8.530 30.525 ( 5.962 2.216 -1.257) 6.483 30.525 ( 5.962 2.216 1.257) 6.483 30.653 ( 0.832 -6.271 -6.411) 9.006 30.653 ( 0.832 -6.271 6.411) 9.006 30.727 ( -7.780 -4.540 -3.826) 9.787 30.727 ( -7.780 -4.540 3.826) 9.787 30.811 ( -9.300 -11.801 -6.647) 16.430 30.811 ( -9.300 -11.801 6.647) 16.430 32.263 ( 7.631 5.225 -1.700) 9.404 32.263 ( 7.631 5.225 1.700) 9.404 32.346 ( 3.138 -0.905 -0.675) 3.335 32.346 ( 3.138 -0.905 0.675) 3.335 32.485 ( -0.956 2.207 -0.958) 2.589 32.485 ( -0.956 2.207 0.958) 2.589 32.587 ( -7.211 -5.763 -0.964) 9.281 32.587 ( -7.211 -5.763 0.964) 9.281 35.461 ( 3.814 6.404 -5.105) 9.034 35.461 ( 3.814 6.404 5.105) 9.034 35.525 ( -2.260 7.357 -5.545) 9.486 35.525 ( -2.260 7.357 5.545) 9.486 35.610 ( 4.793 -6.080 -5.099) 9.270 35.610 ( 4.793 -6.080 5.099) 9.270 35.701 ( -3.781 -7.424 -6.617) 10.640 35.701 ( -3.781 -7.424 6.617) 10.640 36.287 ( 10.606 15.223 -6.149) 19.546 36.287 ( 10.606 15.223 6.149) 19.546 36.496 ( -3.523 9.453 -3.491) 10.675 36.496 ( -3.523 9.453 3.491) 10.675 36.678 ( 4.938 -1.582 -1.602) 5.427 36.678 ( 4.938 -1.582 1.602) 5.427 36.976 ( -17.831 -16.329 -9.287) 25.900 36.976 ( -17.831 -16.329 9.287) 25.900 =================== 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 3/30240 10.0 116.230 106.823 166.112 0.000 0.000 -0.000 3/30240 20.0 30.923 23.410 35.810 0.000 0.000 -0.000 3/30240 30.0 13.874 10.177 15.469 0.000 0.000 -0.000 3/30240 40.0 8.464 6.050 9.120 0.000 0.000 -0.000 3/30240 50.0 6.005 4.206 6.328 0.000 0.000 -0.000 3/30240 60.0 4.636 3.200 4.824 0.000 0.000 -0.000 3/30240 70.0 3.777 2.578 3.901 0.000 0.000 -0.000 3/30240 80.0 3.195 2.159 3.283 0.000 0.000 -0.000 3/30240 90.0 2.778 1.859 2.842 0.000 0.000 -0.000 3/30240 100.0 2.468 1.634 2.513 0.000 0.000 -0.000 3/30240 110.0 2.229 1.460 2.259 0.000 0.000 -0.000 3/30240 120.0 2.042 1.321 2.056 0.000 0.000 -0.000 3/30240 130.0 1.892 1.208 1.890 0.000 0.000 -0.000 3/30240 140.0 1.770 1.114 1.752 0.000 0.000 -0.000 3/30240 150.0 1.669 1.035 1.636 0.000 0.000 -0.000 3/30240 160.0 1.584 0.968 1.536 0.000 0.000 -0.000 3/30240 170.0 1.513 0.910 1.449 0.000 0.000 -0.000 3/30240 180.0 1.453 0.861 1.372 0.000 0.000 -0.000 3/30240 190.0 1.401 0.818 1.305 0.000 0.000 -0.000 3/30240 200.0 1.356 0.780 1.245 0.000 0.000 -0.000 3/30240 210.0 1.317 0.747 1.191 0.000 0.000 -0.000 3/30240 220.0 1.283 0.718 1.142 0.000 0.000 -0.000 3/30240 230.0 1.253 0.692 1.098 0.000 0.000 -0.000 3/30240 240.0 1.226 0.670 1.058 0.000 0.000 -0.000 3/30240 250.0 1.202 0.650 1.022 0.000 0.000 -0.000 3/30240 260.0 1.180 0.632 0.988 0.000 0.000 -0.000 3/30240 270.0 1.161 0.615 0.957 0.000 0.000 -0.000 3/30240 280.0 1.142 0.601 0.929 0.000 0.000 -0.000 3/30240 290.0 1.125 0.588 0.903 0.000 0.000 -0.000 3/30240 300.0 1.110 0.576 0.878 0.000 0.000 -0.000 3/30240 310.0 1.095 0.565 0.855 0.000 0.000 -0.000 3/30240 320.0 1.081 0.556 0.834 0.000 0.000 -0.000 3/30240 330.0 1.068 0.546 0.814 0.000 0.000 -0.000 3/30240 340.0 1.055 0.538 0.795 0.000 0.000 -0.000 3/30240 350.0 1.043 0.530 0.777 0.000 0.000 -0.000 3/30240 360.0 1.031 0.523 0.761 0.000 0.000 -0.000 3/30240 370.0 1.020 0.516 0.745 0.000 0.000 -0.000 3/30240 380.0 1.008 0.510 0.730 0.000 0.000 -0.000 3/30240 390.0 0.997 0.504 0.716 0.000 0.000 -0.000 3/30240 400.0 0.987 0.498 0.702 0.000 0.000 -0.000 3/30240 410.0 0.976 0.492 0.689 0.000 0.000 -0.000 3/30240 420.0 0.966 0.487 0.677 0.000 0.000 -0.000 3/30240 430.0 0.956 0.482 0.665 0.000 0.000 -0.000 3/30240 440.0 0.946 0.477 0.653 0.000 0.000 -0.000 3/30240 450.0 0.936 0.472 0.642 0.000 0.000 -0.000 3/30240 460.0 0.926 0.467 0.632 0.000 0.000 -0.000 3/30240 470.0 0.917 0.463 0.621 0.000 0.000 -0.000 3/30240 480.0 0.907 0.458 0.612 0.000 0.000 -0.000 3/30240 490.0 0.898 0.454 0.602 0.000 0.000 -0.000 3/30240 500.0 0.889 0.449 0.593 0.000 0.000 -0.000 3/30240 510.0 0.880 0.445 0.584 0.000 0.000 -0.000 3/30240 520.0 0.871 0.441 0.576 0.000 0.000 -0.000 3/30240 530.0 0.862 0.437 0.567 0.000 0.000 -0.000 3/30240 540.0 0.853 0.433 0.559 0.000 0.000 -0.000 3/30240 550.0 0.845 0.429 0.551 0.000 0.000 -0.000 3/30240 560.0 0.836 0.425 0.544 0.000 0.000 -0.000 3/30240 570.0 0.828 0.421 0.536 0.000 0.000 -0.000 3/30240 580.0 0.819 0.417 0.529 0.000 0.000 -0.000 3/30240 590.0 0.811 0.413 0.522 0.000 0.000 -0.000 3/30240 600.0 0.803 0.410 0.515 0.000 0.000 -0.000 3/30240 610.0 0.795 0.406 0.509 0.000 0.000 -0.000 3/30240 620.0 0.787 0.402 0.502 0.000 0.000 -0.000 3/30240 630.0 0.779 0.399 0.496 0.000 0.000 -0.000 3/30240 640.0 0.772 0.395 0.490 0.000 0.000 -0.000 3/30240 650.0 0.764 0.392 0.484 0.000 0.000 -0.000 3/30240 660.0 0.757 0.388 0.478 0.000 0.000 -0.000 3/30240 670.0 0.749 0.385 0.472 0.000 0.000 -0.000 3/30240 680.0 0.742 0.381 0.466 0.000 0.000 -0.000 3/30240 690.0 0.735 0.378 0.461 0.000 0.000 -0.000 3/30240 700.0 0.728 0.375 0.456 0.000 0.000 -0.000 3/30240 710.0 0.721 0.371 0.450 0.000 0.000 -0.000 3/30240 720.0 0.714 0.368 0.445 0.000 0.000 -0.000 3/30240 730.0 0.707 0.365 0.440 0.000 0.000 -0.000 3/30240 740.0 0.700 0.362 0.435 0.000 0.000 -0.000 3/30240 750.0 0.694 0.359 0.431 0.000 0.000 -0.000 3/30240 760.0 0.687 0.355 0.426 0.000 0.000 -0.000 3/30240 770.0 0.681 0.352 0.421 0.000 0.000 -0.000 3/30240 780.0 0.675 0.349 0.417 0.000 0.000 -0.000 3/30240 790.0 0.668 0.346 0.412 0.000 0.000 -0.000 3/30240 800.0 0.662 0.344 0.408 0.000 0.000 -0.000 3/30240 810.0 0.656 0.341 0.404 0.000 0.000 -0.000 3/30240 820.0 0.650 0.338 0.400 0.000 0.000 -0.000 3/30240 830.0 0.644 0.335 0.395 0.000 0.000 -0.000 3/30240 840.0 0.639 0.332 0.391 0.000 0.000 -0.000 3/30240 850.0 0.633 0.329 0.388 0.000 0.000 -0.000 3/30240 860.0 0.627 0.327 0.384 0.000 0.000 -0.000 3/30240 870.0 0.622 0.324 0.380 0.000 0.000 -0.000 3/30240 880.0 0.616 0.321 0.376 0.000 0.000 -0.000 3/30240 890.0 0.611 0.319 0.373 0.000 0.000 -0.000 3/30240 900.0 0.606 0.316 0.369 0.000 0.000 -0.000 3/30240 910.0 0.601 0.314 0.365 0.000 0.000 -0.000 3/30240 920.0 0.595 0.311 0.362 0.000 0.000 -0.000 3/30240 930.0 0.590 0.309 0.359 0.000 0.000 -0.000 3/30240 940.0 0.585 0.306 0.355 0.000 0.000 -0.000 3/30240 950.0 0.580 0.304 0.352 0.000 0.000 -0.000 3/30240 960.0 0.576 0.301 0.349 0.000 0.000 -0.000 3/30240 970.0 0.571 0.299 0.346 0.000 0.000 -0.000 3/30240 980.0 0.566 0.297 0.343 0.000 0.000 -0.000 3/30240 990.0 0.561 0.294 0.340 0.000 0.000 -0.000 3/30240 1000.0 0.557 0.292 0.337 0.000 0.000 -0.000 3/30240 Thermal conductivity related properties were written into "kappa-m754.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:48:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|