----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:22:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.973635035720188 1.716828988344749 4.907421646666661 b -2.973635035720182 1.716828988344749 4.907421646666661 c 0.000000000000003 -3.433657976689504 4.907421646666661 Atomic positions (fractional): *1 Ho 0.85923473647594 0.85923473647594 0.85923473647594 164.930 2 Ho 0.14076526352406 0.14076526352406 0.14076526352406 164.930 *3 Bi 0.63994073048095 0.63994073048095 0.63994073048095 208.980 4 Bi 0.36005926951905 0.36005926951905 0.36005926951905 208.980 *5 O 0.54410077200052 0.21519014186290 0.99551427886448 15.999 6 O 0.78480985813710 0.00448572113552 0.45589922799948 15.999 7 O 0.00448572113552 0.45589922799948 0.78480985813710 15.999 8 O 0.99551427886448 0.54410077200053 0.21519014186290 15.999 9 O 0.21519014186290 0.99551427886448 0.54410077200052 15.999 10 O 0.45589922799947 0.78480985813710 0.00448572113552 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.947270071440370 0.000000000000000 0.000000000000000 b -2.973635035720185 5.150486965034253 0.000000000000000 c 0.000000000000000 0.000000000000000 14.722264939999999 Atomic positions (fractional): *1 Ho 0.66666666666667 0.33333333333333 0.19256806980927 164.930 > 1 2 Ho 0.00000000000000 0.00000000000000 0.14076526352406 164.930 > 2 3 Ho 0.33333333333333 0.66666666666667 0.52590140314261 164.930 > 1 4 Ho 0.66666666666667 0.33333333333333 0.47409859685739 164.930 > 2 5 Ho 0.00000000000000 0.00000000000000 0.85923473647594 164.930 > 1 6 Ho 0.33333333333333 0.66666666666667 0.80743193019073 164.930 > 2 *7 Bi 0.33333333333333 0.66666666666667 0.30660739714762 208.980 > 3 8 Bi 0.33333333333333 0.66666666666667 0.02672593618571 208.980 > 4 9 Bi 0.00000000000000 0.00000000000000 0.63994073048095 208.980 > 3 10 Bi 0.00000000000000 0.00000000000000 0.36005926951905 208.980 > 4 11 Bi 0.66666666666667 0.33333333333333 0.97327406381429 208.980 > 3 12 Bi 0.66666666666667 0.33333333333333 0.69339260285238 208.980 > 4 *13 O 0.29249904109122 0.25608745204482 0.25160173090930 15.999 > 5 14 O 0.70307825571307 0.62583237442456 0.08173160242403 15.999 > 6 15 O 0.92275411871149 0.29692174428693 0.08173160242403 15.999 > 7 16 O 0.74391254795518 0.03641158904640 0.25160173090930 15.999 > 8 17 O 0.96358841095360 0.70750095890878 0.25160173090930 15.999 > 9 18 O 0.37416762557544 0.07724588128851 0.08173160242403 15.999 > 10 19 O 0.95916570775789 0.58942078537816 0.58493506424264 15.999 > 5 20 O 0.36974492237973 0.95916570775789 0.41506493575736 15.999 > 6 21 O 0.58942078537816 0.63025507762027 0.41506493575736 15.999 > 7 22 O 0.41057921462184 0.36974492237973 0.58493506424264 15.999 > 8 23 O 0.63025507762027 0.04083429224211 0.58493506424264 15.999 > 9 24 O 0.04083429224211 0.41057921462184 0.41506493575736 15.999 > 10 25 O 0.62583237442456 0.92275411871149 0.91826839757597 15.999 > 5 26 O 0.03641158904640 0.29249904109122 0.74839826909070 15.999 > 6 27 O 0.25608745204482 0.96358841095360 0.74839826909070 15.999 > 7 28 O 0.07724588128851 0.70307825571307 0.91826839757597 15.999 > 8 29 O 0.29692174428693 0.37416762557544 0.91826839757597 15.999 > 9 30 O 0.70750095890878 0.74391254795518 0.74839826909070 15.999 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.894540142880739 0.000000000000000 0.000000000000000 b -5.947270071440370 10.300973930068507 0.000000000000000 c 0.000000000000000 0.000000000000000 14.722264939999999 Atomic positions (fractional): *1 Ho 0.33333333333333 0.16666666666667 0.19256806980927 164.930 > 1 2 Ho 0.83333333333333 0.16666666666667 0.19256806980927 164.930 > 1 3 Ho 0.33333333333333 0.66666666666667 0.19256806980927 164.930 > 1 4 Ho 0.83333333333333 0.66666666666667 0.19256806980927 164.930 > 1 5 Ho 0.00000000000000 0.00000000000000 0.14076526352406 164.930 > 2 6 Ho 0.50000000000000 0.00000000000000 0.14076526352406 164.930 > 2 7 Ho 0.00000000000000 0.50000000000000 0.14076526352406 164.930 > 2 8 Ho 0.50000000000000 0.50000000000000 0.14076526352406 164.930 > 2 9 Ho 0.16666666666667 0.33333333333333 0.52590140314261 164.930 > 1 10 Ho 0.66666666666667 0.33333333333333 0.52590140314261 164.930 > 1 11 Ho 0.16666666666667 0.83333333333333 0.52590140314261 164.930 > 1 12 Ho 0.66666666666667 0.83333333333333 0.52590140314261 164.930 > 1 13 Ho 0.33333333333333 0.16666666666667 0.47409859685739 164.930 > 2 14 Ho 0.83333333333333 0.16666666666667 0.47409859685739 164.930 > 2 15 Ho 0.33333333333333 0.66666666666667 0.47409859685739 164.930 > 2 16 Ho 0.83333333333333 0.66666666666667 0.47409859685739 164.930 > 2 17 Ho 0.00000000000000 0.00000000000000 0.85923473647594 164.930 > 1 18 Ho 0.50000000000000 0.00000000000000 0.85923473647594 164.930 > 1 19 Ho 0.00000000000000 0.50000000000000 0.85923473647594 164.930 > 1 20 Ho 0.50000000000000 0.50000000000000 0.85923473647594 164.930 > 1 21 Ho 0.16666666666667 0.33333333333333 0.80743193019073 164.930 > 2 22 Ho 0.66666666666667 0.33333333333333 0.80743193019073 164.930 > 2 23 Ho 0.16666666666667 0.83333333333333 0.80743193019073 164.930 > 2 24 Ho 0.66666666666667 0.83333333333333 0.80743193019073 164.930 > 2 *25 Bi 0.16666666666667 0.33333333333333 0.30660739714762 208.980 > 3 26 Bi 0.66666666666667 0.33333333333333 0.30660739714762 208.980 > 3 27 Bi 0.16666666666667 0.83333333333333 0.30660739714762 208.980 > 3 28 Bi 0.66666666666667 0.83333333333333 0.30660739714762 208.980 > 3 29 Bi 0.16666666666667 0.33333333333333 0.02672593618571 208.980 > 4 30 Bi 0.66666666666667 0.33333333333333 0.02672593618571 208.980 > 4 31 Bi 0.16666666666667 0.83333333333333 0.02672593618571 208.980 > 4 32 Bi 0.66666666666667 0.83333333333333 0.02672593618571 208.980 > 4 33 Bi 0.00000000000000 0.00000000000000 0.63994073048095 208.980 > 3 34 Bi 0.50000000000000 0.00000000000000 0.63994073048095 208.980 > 3 35 Bi 0.00000000000000 0.50000000000000 0.63994073048095 208.980 > 3 36 Bi 0.50000000000000 0.50000000000000 0.63994073048095 208.980 > 3 37 Bi 0.00000000000000 0.00000000000000 0.36005926951905 208.980 > 4 38 Bi 0.50000000000000 0.00000000000000 0.36005926951905 208.980 > 4 39 Bi 0.00000000000000 0.50000000000000 0.36005926951905 208.980 > 4 40 Bi 0.50000000000000 0.50000000000000 0.36005926951905 208.980 > 4 41 Bi 0.33333333333333 0.16666666666667 0.97327406381429 208.980 > 3 42 Bi 0.83333333333333 0.16666666666667 0.97327406381429 208.980 > 3 43 Bi 0.33333333333333 0.66666666666667 0.97327406381429 208.980 > 3 44 Bi 0.83333333333333 0.66666666666667 0.97327406381429 208.980 > 3 45 Bi 0.33333333333333 0.16666666666667 0.69339260285238 208.980 > 4 46 Bi 0.83333333333333 0.16666666666667 0.69339260285238 208.980 > 4 47 Bi 0.33333333333333 0.66666666666667 0.69339260285238 208.980 > 4 48 Bi 0.83333333333333 0.66666666666667 0.69339260285238 208.980 > 4 *49 O 0.14624952054561 0.12804372602241 0.25160173090930 15.999 > 5 50 O 0.64624952054561 0.12804372602241 0.25160173090930 15.999 > 5 51 O 0.14624952054561 0.62804372602241 0.25160173090930 15.999 > 5 52 O 0.64624952054561 0.62804372602241 0.25160173090930 15.999 > 5 53 O 0.35153912785653 0.31291618721228 0.08173160242403 15.999 > 6 54 O 0.85153912785653 0.31291618721228 0.08173160242403 15.999 > 6 55 O 0.35153912785653 0.81291618721228 0.08173160242403 15.999 > 6 56 O 0.85153912785653 0.81291618721228 0.08173160242403 15.999 > 6 57 O 0.46137705935574 0.14846087214347 0.08173160242403 15.999 > 7 58 O 0.96137705935574 0.14846087214347 0.08173160242403 15.999 > 7 59 O 0.46137705935574 0.64846087214347 0.08173160242403 15.999 > 7 60 O 0.96137705935574 0.64846087214347 0.08173160242403 15.999 > 7 61 O 0.37195627397759 0.01820579452320 0.25160173090930 15.999 > 8 62 O 0.87195627397759 0.01820579452320 0.25160173090930 15.999 > 8 63 O 0.37195627397759 0.51820579452320 0.25160173090930 15.999 > 8 64 O 0.87195627397759 0.51820579452320 0.25160173090930 15.999 > 8 65 O 0.48179420547680 0.35375047945439 0.25160173090930 15.999 > 9 66 O 0.98179420547680 0.35375047945439 0.25160173090930 15.999 > 9 67 O 0.48179420547680 0.85375047945439 0.25160173090930 15.999 > 9 68 O 0.98179420547680 0.85375047945439 0.25160173090930 15.999 > 9 69 O 0.18708381278772 0.03862294064426 0.08173160242403 15.999 > 10 70 O 0.68708381278772 0.03862294064426 0.08173160242403 15.999 > 10 71 O 0.18708381278772 0.53862294064426 0.08173160242403 15.999 > 10 72 O 0.68708381278772 0.53862294064426 0.08173160242403 15.999 > 10 73 O 0.47958285387894 0.29471039268908 0.58493506424264 15.999 > 5 74 O 0.97958285387894 0.29471039268908 0.58493506424264 15.999 > 5 75 O 0.47958285387894 0.79471039268908 0.58493506424264 15.999 > 5 76 O 0.97958285387894 0.79471039268908 0.58493506424264 15.999 > 5 77 O 0.18487246118987 0.47958285387894 0.41506493575736 15.999 > 6 78 O 0.68487246118987 0.47958285387894 0.41506493575736 15.999 > 6 79 O 0.18487246118987 0.97958285387894 0.41506493575736 15.999 > 6 80 O 0.68487246118987 0.97958285387894 0.41506493575736 15.999 > 6 81 O 0.29471039268908 0.31512753881013 0.41506493575736 15.999 > 7 82 O 0.79471039268908 0.31512753881013 0.41506493575736 15.999 > 7 83 O 0.29471039268908 0.81512753881013 0.41506493575736 15.999 > 7 84 O 0.79471039268908 0.81512753881013 0.41506493575736 15.999 > 7 85 O 0.20528960731092 0.18487246118987 0.58493506424264 15.999 > 8 86 O 0.70528960731092 0.18487246118987 0.58493506424264 15.999 > 8 87 O 0.20528960731092 0.68487246118987 0.58493506424264 15.999 > 8 88 O 0.70528960731092 0.68487246118987 0.58493506424264 15.999 > 8 89 O 0.31512753881013 0.02041714612106 0.58493506424264 15.999 > 9 90 O 0.81512753881013 0.02041714612106 0.58493506424264 15.999 > 9 91 O 0.31512753881013 0.52041714612106 0.58493506424264 15.999 > 9 92 O 0.81512753881013 0.52041714612106 0.58493506424264 15.999 > 9 93 O 0.02041714612106 0.20528960731092 0.41506493575736 15.999 > 10 94 O 0.52041714612106 0.20528960731092 0.41506493575736 15.999 > 10 95 O 0.02041714612106 0.70528960731092 0.41506493575736 15.999 > 10 96 O 0.52041714612106 0.70528960731092 0.41506493575736 15.999 > 10 97 O 0.31291618721228 0.46137705935574 0.91826839757597 15.999 > 5 98 O 0.81291618721228 0.46137705935574 0.91826839757597 15.999 > 5 99 O 0.31291618721228 0.96137705935574 0.91826839757597 15.999 > 5 100 O 0.81291618721228 0.96137705935574 0.91826839757597 15.999 > 5 101 O 0.01820579452320 0.14624952054561 0.74839826909070 15.999 > 6 102 O 0.51820579452320 0.14624952054561 0.74839826909070 15.999 > 6 103 O 0.01820579452320 0.64624952054561 0.74839826909070 15.999 > 6 104 O 0.51820579452320 0.64624952054561 0.74839826909070 15.999 > 6 105 O 0.12804372602241 0.48179420547680 0.74839826909070 15.999 > 7 106 O 0.62804372602241 0.48179420547680 0.74839826909070 15.999 > 7 107 O 0.12804372602241 0.98179420547680 0.74839826909070 15.999 > 7 108 O 0.62804372602241 0.98179420547680 0.74839826909070 15.999 > 7 109 O 0.03862294064426 0.35153912785653 0.91826839757597 15.999 > 8 110 O 0.53862294064426 0.35153912785653 0.91826839757597 15.999 > 8 111 O 0.03862294064426 0.85153912785653 0.91826839757597 15.999 > 8 112 O 0.53862294064426 0.85153912785653 0.91826839757597 15.999 > 8 113 O 0.14846087214347 0.18708381278772 0.91826839757597 15.999 > 9 114 O 0.64846087214347 0.18708381278772 0.91826839757597 15.999 > 9 115 O 0.14846087214347 0.68708381278772 0.91826839757597 15.999 > 9 116 O 0.64846087214347 0.68708381278772 0.91826839757597 15.999 > 9 117 O 0.35375047945439 0.37195627397759 0.74839826909070 15.999 > 10 118 O 0.85375047945439 0.37195627397759 0.74839826909070 15.999 > 10 119 O 0.35375047945439 0.87195627397759 0.74839826909070 15.999 > 10 120 O 0.85375047945439 0.87195627397759 0.74839826909070 15.999 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6082294 -0.0000026 0.0000000 0.0000026 5.6082294 0.0000000 0.0000000 0.0000000 5.2767937 -------------------------- Born effective charges -------------------------- 1 Ho 3.8338486 -0.2757830 -0.0000000 0.2757830 3.8338486 -0.0000000 0.0000000 0.0000000 4.2111279 2 Ho 3.8338486 -0.2757830 -0.0000000 0.2757830 3.8338486 -0.0000000 0.0000000 0.0000000 4.2111279 3 Bi 4.7772075 0.1012394 -0.0000000 -0.1012394 4.7772075 -0.0000000 0.0000000 0.0000000 3.4978650 4 Bi 4.7772075 0.1012394 -0.0000000 -0.1012394 4.7772075 -0.0000000 0.0000000 0.0000000 3.4978650 5 O -2.6501551 -0.2552207 0.8622033 -0.3715831 -3.0905490 0.0706396 0.8347709 -0.2526768 -2.5696643 6 O -2.7090365 0.4055783 -0.3699260 0.2892159 -3.0316675 -0.7820097 -0.6362100 -0.5965944 -2.5696643 7 O -3.2518645 0.0241860 -0.4922773 -0.0921764 -2.4888396 0.7113702 -0.1985609 0.8492712 -2.5696643 8 O -3.2518645 0.0241860 -0.4922773 -0.0921764 -2.4888396 0.7113702 -0.1985609 0.8492712 -2.5696643 9 O -2.7090365 0.4055783 -0.3699260 0.2892159 -3.0316675 -0.7820097 -0.6362100 -0.5965944 -2.5696643 10 O -2.6501551 -0.2552207 0.8622033 -0.3715831 -3.0905490 0.0706396 0.8347709 -0.2526768 -2.5696643 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 454 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 100 / 240 - Time: 1.024 Solver_block: 200 / 240 - Time: 1.056 Solver_block: 240 / 240 - Time: 0.481 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.588 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 454 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), 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 2026-01-08 23:22:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:22:33]------------------------- 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 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.973635035720188 1.716828988344749 4.907421646666661 b -2.973635035720182 1.716828988344749 4.907421646666661 c 0.000000000000003 -3.433657976689504 4.907421646666661 Atomic positions (fractional): 1 Ho 0.85923473647594 0.85923473647594 0.85923473647594 164.930 2 Ho 0.14076526352406 0.14076526352406 0.14076526352406 164.930 3 Bi 0.63994073048095 0.63994073048095 0.63994073048095 208.980 4 Bi 0.36005926951905 0.36005926951905 0.36005926951905 208.980 5 O 0.54410077200052 0.21519014186290 0.99551427886448 15.999 6 O 0.78480985813710 0.00448572113552 0.45589922799948 15.999 7 O 0.00448572113552 0.45589922799948 0.78480985813710 15.999 8 O 0.99551427886448 0.54410077200053 0.21519014186290 15.999 9 O 0.21519014186290 0.99551427886448 0.54410077200052 15.999 10 O 0.45589922799947 0.78480985813710 0.00448572113552 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.894540142880739 0.000000000000000 0.000000000000000 b -5.947270071440370 10.300973930068507 0.000000000000000 c 0.000000000000000 0.000000000000000 14.722264939999999 Atomic positions (fractional): 1 Ho 0.33333333333333 0.16666666666667 0.19256806980927 164.930 > 1 2 Ho 0.83333333333333 0.16666666666667 0.19256806980927 164.930 > 1 3 Ho 0.33333333333333 0.66666666666667 0.19256806980927 164.930 > 1 4 Ho 0.83333333333333 0.66666666666667 0.19256806980927 164.930 > 1 5 Ho 0.00000000000000 0.00000000000000 0.14076526352406 164.930 > 5 6 Ho 0.50000000000000 0.00000000000000 0.14076526352406 164.930 > 5 7 Ho 0.00000000000000 0.50000000000000 0.14076526352406 164.930 > 5 8 Ho 0.50000000000000 0.50000000000000 0.14076526352406 164.930 > 5 9 Ho 0.16666666666667 0.33333333333333 0.52590140314261 164.930 > 1 10 Ho 0.66666666666667 0.33333333333333 0.52590140314261 164.930 > 1 11 Ho 0.16666666666667 0.83333333333333 0.52590140314261 164.930 > 1 12 Ho 0.66666666666667 0.83333333333333 0.52590140314261 164.930 > 1 13 Ho 0.33333333333333 0.16666666666667 0.47409859685739 164.930 > 5 14 Ho 0.83333333333333 0.16666666666667 0.47409859685739 164.930 > 5 15 Ho 0.33333333333333 0.66666666666667 0.47409859685739 164.930 > 5 16 Ho 0.83333333333333 0.66666666666667 0.47409859685739 164.930 > 5 17 Ho 0.00000000000000 0.00000000000000 0.85923473647594 164.930 > 1 18 Ho 0.50000000000000 0.00000000000000 0.85923473647594 164.930 > 1 19 Ho 0.00000000000000 0.50000000000000 0.85923473647594 164.930 > 1 20 Ho 0.50000000000000 0.50000000000000 0.85923473647594 164.930 > 1 21 Ho 0.16666666666667 0.33333333333333 0.80743193019073 164.930 > 5 22 Ho 0.66666666666667 0.33333333333333 0.80743193019073 164.930 > 5 23 Ho 0.16666666666667 0.83333333333333 0.80743193019073 164.930 > 5 24 Ho 0.66666666666667 0.83333333333333 0.80743193019073 164.930 > 5 25 Bi 0.16666666666667 0.33333333333333 0.30660739714762 208.980 > 25 26 Bi 0.66666666666667 0.33333333333333 0.30660739714762 208.980 > 25 27 Bi 0.16666666666667 0.83333333333333 0.30660739714762 208.980 > 25 28 Bi 0.66666666666667 0.83333333333333 0.30660739714762 208.980 > 25 29 Bi 0.16666666666667 0.33333333333333 0.02672593618571 208.980 > 29 30 Bi 0.66666666666667 0.33333333333333 0.02672593618571 208.980 > 29 31 Bi 0.16666666666667 0.83333333333333 0.02672593618571 208.980 > 29 32 Bi 0.66666666666667 0.83333333333333 0.02672593618571 208.980 > 29 33 Bi 0.00000000000000 0.00000000000000 0.63994073048095 208.980 > 25 34 Bi 0.50000000000000 0.00000000000000 0.63994073048095 208.980 > 25 35 Bi 0.00000000000000 0.50000000000000 0.63994073048095 208.980 > 25 36 Bi 0.50000000000000 0.50000000000000 0.63994073048095 208.980 > 25 37 Bi 0.00000000000000 0.00000000000000 0.36005926951905 208.980 > 29 38 Bi 0.50000000000000 0.00000000000000 0.36005926951905 208.980 > 29 39 Bi 0.00000000000000 0.50000000000000 0.36005926951905 208.980 > 29 40 Bi 0.50000000000000 0.50000000000000 0.36005926951905 208.980 > 29 41 Bi 0.33333333333333 0.16666666666667 0.97327406381429 208.980 > 25 42 Bi 0.83333333333333 0.16666666666667 0.97327406381429 208.980 > 25 43 Bi 0.33333333333333 0.66666666666667 0.97327406381429 208.980 > 25 44 Bi 0.83333333333333 0.66666666666667 0.97327406381429 208.980 > 25 45 Bi 0.33333333333333 0.16666666666667 0.69339260285238 208.980 > 29 46 Bi 0.83333333333333 0.16666666666667 0.69339260285238 208.980 > 29 47 Bi 0.33333333333333 0.66666666666667 0.69339260285238 208.980 > 29 48 Bi 0.83333333333333 0.66666666666667 0.69339260285238 208.980 > 29 49 O 0.14624952054561 0.12804372602241 0.25160173090930 15.999 > 49 50 O 0.64624952054561 0.12804372602241 0.25160173090930 15.999 > 49 51 O 0.14624952054561 0.62804372602241 0.25160173090930 15.999 > 49 52 O 0.64624952054561 0.62804372602241 0.25160173090930 15.999 > 49 53 O 0.35153912785653 0.31291618721228 0.08173160242403 15.999 > 53 54 O 0.85153912785653 0.31291618721228 0.08173160242403 15.999 > 53 55 O 0.35153912785653 0.81291618721228 0.08173160242403 15.999 > 53 56 O 0.85153912785653 0.81291618721228 0.08173160242403 15.999 > 53 57 O 0.46137705935574 0.14846087214347 0.08173160242403 15.999 > 57 58 O 0.96137705935574 0.14846087214347 0.08173160242403 15.999 > 57 59 O 0.46137705935574 0.64846087214347 0.08173160242403 15.999 > 57 60 O 0.96137705935574 0.64846087214347 0.08173160242403 15.999 > 57 61 O 0.37195627397759 0.01820579452320 0.25160173090930 15.999 > 61 62 O 0.87195627397759 0.01820579452320 0.25160173090930 15.999 > 61 63 O 0.37195627397759 0.51820579452320 0.25160173090930 15.999 > 61 64 O 0.87195627397759 0.51820579452320 0.25160173090930 15.999 > 61 65 O 0.48179420547680 0.35375047945439 0.25160173090930 15.999 > 65 66 O 0.98179420547680 0.35375047945439 0.25160173090930 15.999 > 65 67 O 0.48179420547680 0.85375047945439 0.25160173090930 15.999 > 65 68 O 0.98179420547680 0.85375047945439 0.25160173090930 15.999 > 65 69 O 0.18708381278772 0.03862294064426 0.08173160242403 15.999 > 69 70 O 0.68708381278772 0.03862294064426 0.08173160242403 15.999 > 69 71 O 0.18708381278772 0.53862294064426 0.08173160242403 15.999 > 69 72 O 0.68708381278772 0.53862294064426 0.08173160242403 15.999 > 69 73 O 0.47958285387894 0.29471039268908 0.58493506424264 15.999 > 49 74 O 0.97958285387894 0.29471039268908 0.58493506424264 15.999 > 49 75 O 0.47958285387894 0.79471039268908 0.58493506424264 15.999 > 49 76 O 0.97958285387894 0.79471039268908 0.58493506424264 15.999 > 49 77 O 0.18487246118987 0.47958285387894 0.41506493575736 15.999 > 53 78 O 0.68487246118987 0.47958285387894 0.41506493575736 15.999 > 53 79 O 0.18487246118987 0.97958285387894 0.41506493575736 15.999 > 53 80 O 0.68487246118987 0.97958285387894 0.41506493575736 15.999 > 53 81 O 0.29471039268908 0.31512753881013 0.41506493575736 15.999 > 57 82 O 0.79471039268908 0.31512753881013 0.41506493575736 15.999 > 57 83 O 0.29471039268908 0.81512753881013 0.41506493575736 15.999 > 57 84 O 0.79471039268908 0.81512753881013 0.41506493575736 15.999 > 57 85 O 0.20528960731092 0.18487246118987 0.58493506424264 15.999 > 61 86 O 0.70528960731092 0.18487246118987 0.58493506424264 15.999 > 61 87 O 0.20528960731092 0.68487246118987 0.58493506424264 15.999 > 61 88 O 0.70528960731092 0.68487246118987 0.58493506424264 15.999 > 61 89 O 0.31512753881013 0.02041714612106 0.58493506424264 15.999 > 65 90 O 0.81512753881013 0.02041714612106 0.58493506424264 15.999 > 65 91 O 0.31512753881013 0.52041714612106 0.58493506424264 15.999 > 65 92 O 0.81512753881013 0.52041714612106 0.58493506424264 15.999 > 65 93 O 0.02041714612106 0.20528960731092 0.41506493575736 15.999 > 69 94 O 0.52041714612106 0.20528960731092 0.41506493575736 15.999 > 69 95 O 0.02041714612106 0.70528960731092 0.41506493575736 15.999 > 69 96 O 0.52041714612106 0.70528960731092 0.41506493575736 15.999 > 69 97 O 0.31291618721228 0.46137705935574 0.91826839757597 15.999 > 49 98 O 0.81291618721228 0.46137705935574 0.91826839757597 15.999 > 49 99 O 0.31291618721228 0.96137705935574 0.91826839757597 15.999 > 49 100 O 0.81291618721228 0.96137705935574 0.91826839757597 15.999 > 49 101 O 0.01820579452320 0.14624952054561 0.74839826909070 15.999 > 53 102 O 0.51820579452320 0.14624952054561 0.74839826909070 15.999 > 53 103 O 0.01820579452320 0.64624952054561 0.74839826909070 15.999 > 53 104 O 0.51820579452320 0.64624952054561 0.74839826909070 15.999 > 53 105 O 0.12804372602241 0.48179420547680 0.74839826909070 15.999 > 57 106 O 0.62804372602241 0.48179420547680 0.74839826909070 15.999 > 57 107 O 0.12804372602241 0.98179420547680 0.74839826909070 15.999 > 57 108 O 0.62804372602241 0.98179420547680 0.74839826909070 15.999 > 57 109 O 0.03862294064426 0.35153912785653 0.91826839757597 15.999 > 61 110 O 0.53862294064426 0.35153912785653 0.91826839757597 15.999 > 61 111 O 0.03862294064426 0.85153912785653 0.91826839757597 15.999 > 61 112 O 0.53862294064426 0.85153912785653 0.91826839757597 15.999 > 61 113 O 0.14846087214347 0.18708381278772 0.91826839757597 15.999 > 65 114 O 0.64846087214347 0.18708381278772 0.91826839757597 15.999 > 65 115 O 0.14846087214347 0.68708381278772 0.91826839757597 15.999 > 65 116 O 0.64846087214347 0.68708381278772 0.91826839757597 15.999 > 65 117 O 0.35375047945439 0.37195627397759 0.74839826909070 15.999 > 69 118 O 0.85375047945439 0.37195627397759 0.74839826909070 15.999 > 69 119 O 0.35375047945439 0.87195627397759 0.74839826909070 15.999 > 69 120 O 0.85375047945439 0.87195627397759 0.74839826909070 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6082294 -0.0000026 0.0000000 0.0000026 5.6082294 0.0000000 0.0000000 0.0000000 5.2767937 -------------------------- Born effective charges -------------------------- 1 Ho 3.8338486 -0.2757830 -0.0000000 0.2757830 3.8338486 -0.0000000 0.0000000 0.0000000 4.2111279 2 Ho 3.8338486 -0.2757830 -0.0000000 0.2757830 3.8338486 -0.0000000 0.0000000 0.0000000 4.2111279 3 Bi 4.7772075 0.1012394 -0.0000000 -0.1012394 4.7772075 -0.0000000 0.0000000 0.0000000 3.4978650 4 Bi 4.7772075 0.1012394 -0.0000000 -0.1012394 4.7772075 -0.0000000 0.0000000 0.0000000 3.4978650 5 O -2.6501551 -0.2552207 0.8622033 -0.3715831 -3.0905490 0.0706396 0.8347709 -0.2526768 -2.5696643 6 O -2.7090365 0.4055783 -0.3699260 0.2892159 -3.0316675 -0.7820097 -0.6362100 -0.5965944 -2.5696643 7 O -3.2518645 0.0241860 -0.4922773 -0.0921764 -2.4888396 0.7113702 -0.1985609 0.8492712 -2.5696643 8 O -3.2518645 0.0241860 -0.4922773 -0.0921764 -2.4888396 0.7113702 -0.1985609 0.8492712 -2.5696643 9 O -2.7090365 0.4055783 -0.3699260 0.2892159 -3.0316675 -0.7820097 -0.6362100 -0.5965944 -2.5696643 10 O -2.6501551 -0.2552207 0.8622033 -0.3715831 -3.0905490 0.0706396 0.8347709 -0.2526768 -2.5696643 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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: -0.00000003 (xyx) -0.00000003 (xyx) -0.00000003 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:22:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:22:44]------------------------- 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 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.973635035720188 1.716828988344749 4.907421646666661 b -2.973635035720182 1.716828988344749 4.907421646666661 c 0.000000000000003 -3.433657976689504 4.907421646666661 Atomic positions (fractional): 1 Ho 0.85923473647594 0.85923473647594 0.85923473647594 164.930 2 Ho 0.14076526352406 0.14076526352406 0.14076526352406 164.930 3 Bi 0.63994073048095 0.63994073048095 0.63994073048095 208.980 4 Bi 0.36005926951905 0.36005926951905 0.36005926951905 208.980 5 O 0.54410077200052 0.21519014186290 0.99551427886448 15.999 6 O 0.78480985813710 0.00448572113552 0.45589922799948 15.999 7 O 0.00448572113552 0.45589922799948 0.78480985813710 15.999 8 O 0.99551427886448 0.54410077200053 0.21519014186290 15.999 9 O 0.21519014186290 0.99551427886448 0.54410077200052 15.999 10 O 0.45589922799947 0.78480985813710 0.00448572113552 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.894540142880739 0.000000000000000 0.000000000000000 b -5.947270071440370 10.300973930068507 0.000000000000000 c 0.000000000000000 0.000000000000000 14.722264939999999 Atomic positions (fractional): 1 Ho 0.33333333333333 0.16666666666667 0.19256806980927 164.930 > 1 2 Ho 0.83333333333333 0.16666666666667 0.19256806980927 164.930 > 1 3 Ho 0.33333333333333 0.66666666666667 0.19256806980927 164.930 > 1 4 Ho 0.83333333333333 0.66666666666667 0.19256806980927 164.930 > 1 5 Ho 0.00000000000000 0.00000000000000 0.14076526352406 164.930 > 5 6 Ho 0.50000000000000 0.00000000000000 0.14076526352406 164.930 > 5 7 Ho 0.00000000000000 0.50000000000000 0.14076526352406 164.930 > 5 8 Ho 0.50000000000000 0.50000000000000 0.14076526352406 164.930 > 5 9 Ho 0.16666666666667 0.33333333333333 0.52590140314261 164.930 > 1 10 Ho 0.66666666666667 0.33333333333333 0.52590140314261 164.930 > 1 11 Ho 0.16666666666667 0.83333333333333 0.52590140314261 164.930 > 1 12 Ho 0.66666666666667 0.83333333333333 0.52590140314261 164.930 > 1 13 Ho 0.33333333333333 0.16666666666667 0.47409859685739 164.930 > 5 14 Ho 0.83333333333333 0.16666666666667 0.47409859685739 164.930 > 5 15 Ho 0.33333333333333 0.66666666666667 0.47409859685739 164.930 > 5 16 Ho 0.83333333333333 0.66666666666667 0.47409859685739 164.930 > 5 17 Ho 0.00000000000000 0.00000000000000 0.85923473647594 164.930 > 1 18 Ho 0.50000000000000 0.00000000000000 0.85923473647594 164.930 > 1 19 Ho 0.00000000000000 0.50000000000000 0.85923473647594 164.930 > 1 20 Ho 0.50000000000000 0.50000000000000 0.85923473647594 164.930 > 1 21 Ho 0.16666666666667 0.33333333333333 0.80743193019073 164.930 > 5 22 Ho 0.66666666666667 0.33333333333333 0.80743193019073 164.930 > 5 23 Ho 0.16666666666667 0.83333333333333 0.80743193019073 164.930 > 5 24 Ho 0.66666666666667 0.83333333333333 0.80743193019073 164.930 > 5 25 Bi 0.16666666666667 0.33333333333333 0.30660739714762 208.980 > 25 26 Bi 0.66666666666667 0.33333333333333 0.30660739714762 208.980 > 25 27 Bi 0.16666666666667 0.83333333333333 0.30660739714762 208.980 > 25 28 Bi 0.66666666666667 0.83333333333333 0.30660739714762 208.980 > 25 29 Bi 0.16666666666667 0.33333333333333 0.02672593618571 208.980 > 29 30 Bi 0.66666666666667 0.33333333333333 0.02672593618571 208.980 > 29 31 Bi 0.16666666666667 0.83333333333333 0.02672593618571 208.980 > 29 32 Bi 0.66666666666667 0.83333333333333 0.02672593618571 208.980 > 29 33 Bi 0.00000000000000 0.00000000000000 0.63994073048095 208.980 > 25 34 Bi 0.50000000000000 0.00000000000000 0.63994073048095 208.980 > 25 35 Bi 0.00000000000000 0.50000000000000 0.63994073048095 208.980 > 25 36 Bi 0.50000000000000 0.50000000000000 0.63994073048095 208.980 > 25 37 Bi 0.00000000000000 0.00000000000000 0.36005926951905 208.980 > 29 38 Bi 0.50000000000000 0.00000000000000 0.36005926951905 208.980 > 29 39 Bi 0.00000000000000 0.50000000000000 0.36005926951905 208.980 > 29 40 Bi 0.50000000000000 0.50000000000000 0.36005926951905 208.980 > 29 41 Bi 0.33333333333333 0.16666666666667 0.97327406381429 208.980 > 25 42 Bi 0.83333333333333 0.16666666666667 0.97327406381429 208.980 > 25 43 Bi 0.33333333333333 0.66666666666667 0.97327406381429 208.980 > 25 44 Bi 0.83333333333333 0.66666666666667 0.97327406381429 208.980 > 25 45 Bi 0.33333333333333 0.16666666666667 0.69339260285238 208.980 > 29 46 Bi 0.83333333333333 0.16666666666667 0.69339260285238 208.980 > 29 47 Bi 0.33333333333333 0.66666666666667 0.69339260285238 208.980 > 29 48 Bi 0.83333333333333 0.66666666666667 0.69339260285238 208.980 > 29 49 O 0.14624952054561 0.12804372602241 0.25160173090930 15.999 > 49 50 O 0.64624952054561 0.12804372602241 0.25160173090930 15.999 > 49 51 O 0.14624952054561 0.62804372602241 0.25160173090930 15.999 > 49 52 O 0.64624952054561 0.62804372602241 0.25160173090930 15.999 > 49 53 O 0.35153912785653 0.31291618721228 0.08173160242403 15.999 > 53 54 O 0.85153912785653 0.31291618721228 0.08173160242403 15.999 > 53 55 O 0.35153912785653 0.81291618721228 0.08173160242403 15.999 > 53 56 O 0.85153912785653 0.81291618721228 0.08173160242403 15.999 > 53 57 O 0.46137705935574 0.14846087214347 0.08173160242403 15.999 > 57 58 O 0.96137705935574 0.14846087214347 0.08173160242403 15.999 > 57 59 O 0.46137705935574 0.64846087214347 0.08173160242403 15.999 > 57 60 O 0.96137705935574 0.64846087214347 0.08173160242403 15.999 > 57 61 O 0.37195627397759 0.01820579452320 0.25160173090930 15.999 > 61 62 O 0.87195627397759 0.01820579452320 0.25160173090930 15.999 > 61 63 O 0.37195627397759 0.51820579452320 0.25160173090930 15.999 > 61 64 O 0.87195627397759 0.51820579452320 0.25160173090930 15.999 > 61 65 O 0.48179420547680 0.35375047945439 0.25160173090930 15.999 > 65 66 O 0.98179420547680 0.35375047945439 0.25160173090930 15.999 > 65 67 O 0.48179420547680 0.85375047945439 0.25160173090930 15.999 > 65 68 O 0.98179420547680 0.85375047945439 0.25160173090930 15.999 > 65 69 O 0.18708381278772 0.03862294064426 0.08173160242403 15.999 > 69 70 O 0.68708381278772 0.03862294064426 0.08173160242403 15.999 > 69 71 O 0.18708381278772 0.53862294064426 0.08173160242403 15.999 > 69 72 O 0.68708381278772 0.53862294064426 0.08173160242403 15.999 > 69 73 O 0.47958285387894 0.29471039268908 0.58493506424264 15.999 > 49 74 O 0.97958285387894 0.29471039268908 0.58493506424264 15.999 > 49 75 O 0.47958285387894 0.79471039268908 0.58493506424264 15.999 > 49 76 O 0.97958285387894 0.79471039268908 0.58493506424264 15.999 > 49 77 O 0.18487246118987 0.47958285387894 0.41506493575736 15.999 > 53 78 O 0.68487246118987 0.47958285387894 0.41506493575736 15.999 > 53 79 O 0.18487246118987 0.97958285387894 0.41506493575736 15.999 > 53 80 O 0.68487246118987 0.97958285387894 0.41506493575736 15.999 > 53 81 O 0.29471039268908 0.31512753881013 0.41506493575736 15.999 > 57 82 O 0.79471039268908 0.31512753881013 0.41506493575736 15.999 > 57 83 O 0.29471039268908 0.81512753881013 0.41506493575736 15.999 > 57 84 O 0.79471039268908 0.81512753881013 0.41506493575736 15.999 > 57 85 O 0.20528960731092 0.18487246118987 0.58493506424264 15.999 > 61 86 O 0.70528960731092 0.18487246118987 0.58493506424264 15.999 > 61 87 O 0.20528960731092 0.68487246118987 0.58493506424264 15.999 > 61 88 O 0.70528960731092 0.68487246118987 0.58493506424264 15.999 > 61 89 O 0.31512753881013 0.02041714612106 0.58493506424264 15.999 > 65 90 O 0.81512753881013 0.02041714612106 0.58493506424264 15.999 > 65 91 O 0.31512753881013 0.52041714612106 0.58493506424264 15.999 > 65 92 O 0.81512753881013 0.52041714612106 0.58493506424264 15.999 > 65 93 O 0.02041714612106 0.20528960731092 0.41506493575736 15.999 > 69 94 O 0.52041714612106 0.20528960731092 0.41506493575736 15.999 > 69 95 O 0.02041714612106 0.70528960731092 0.41506493575736 15.999 > 69 96 O 0.52041714612106 0.70528960731092 0.41506493575736 15.999 > 69 97 O 0.31291618721228 0.46137705935574 0.91826839757597 15.999 > 49 98 O 0.81291618721228 0.46137705935574 0.91826839757597 15.999 > 49 99 O 0.31291618721228 0.96137705935574 0.91826839757597 15.999 > 49 100 O 0.81291618721228 0.96137705935574 0.91826839757597 15.999 > 49 101 O 0.01820579452320 0.14624952054561 0.74839826909070 15.999 > 53 102 O 0.51820579452320 0.14624952054561 0.74839826909070 15.999 > 53 103 O 0.01820579452320 0.64624952054561 0.74839826909070 15.999 > 53 104 O 0.51820579452320 0.64624952054561 0.74839826909070 15.999 > 53 105 O 0.12804372602241 0.48179420547680 0.74839826909070 15.999 > 57 106 O 0.62804372602241 0.48179420547680 0.74839826909070 15.999 > 57 107 O 0.12804372602241 0.98179420547680 0.74839826909070 15.999 > 57 108 O 0.62804372602241 0.98179420547680 0.74839826909070 15.999 > 57 109 O 0.03862294064426 0.35153912785653 0.91826839757597 15.999 > 61 110 O 0.53862294064426 0.35153912785653 0.91826839757597 15.999 > 61 111 O 0.03862294064426 0.85153912785653 0.91826839757597 15.999 > 61 112 O 0.53862294064426 0.85153912785653 0.91826839757597 15.999 > 61 113 O 0.14846087214347 0.18708381278772 0.91826839757597 15.999 > 65 114 O 0.64846087214347 0.18708381278772 0.91826839757597 15.999 > 65 115 O 0.14846087214347 0.68708381278772 0.91826839757597 15.999 > 65 116 O 0.64846087214347 0.68708381278772 0.91826839757597 15.999 > 65 117 O 0.35375047945439 0.37195627397759 0.74839826909070 15.999 > 69 118 O 0.85375047945439 0.37195627397759 0.74839826909070 15.999 > 69 119 O 0.35375047945439 0.87195627397759 0.74839826909070 15.999 > 69 120 O 0.85375047945439 0.87195627397759 0.74839826909070 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6082294 -0.0000026 0.0000000 0.0000026 5.6082294 0.0000000 0.0000000 0.0000000 5.2767937 -------------------------- Born effective charges -------------------------- 1 Ho 3.8338486 -0.2757830 -0.0000000 0.2757830 3.8338486 -0.0000000 0.0000000 0.0000000 4.2111279 2 Ho 3.8338486 -0.2757830 -0.0000000 0.2757830 3.8338486 -0.0000000 0.0000000 0.0000000 4.2111279 3 Bi 4.7772075 0.1012394 -0.0000000 -0.1012394 4.7772075 -0.0000000 0.0000000 0.0000000 3.4978650 4 Bi 4.7772075 0.1012394 -0.0000000 -0.1012394 4.7772075 -0.0000000 0.0000000 0.0000000 3.4978650 5 O -2.6501551 -0.2552207 0.8622033 -0.3715831 -3.0905490 0.0706396 0.8347709 -0.2526768 -2.5696643 6 O -2.7090365 0.4055783 -0.3699260 0.2892159 -3.0316675 -0.7820097 -0.6362100 -0.5965944 -2.5696643 7 O -3.2518645 0.0241860 -0.4922773 -0.0921764 -2.4888396 0.7113702 -0.1985609 0.8492712 -2.5696643 8 O -3.2518645 0.0241860 -0.4922773 -0.0921764 -2.4888396 0.7113702 -0.1985609 0.8492712 -2.5696643 9 O -2.7090365 0.4055783 -0.3699260 0.2892159 -3.0316675 -0.7820097 -0.6362100 -0.5965944 -2.5696643 10 O -2.6501551 -0.2552207 0.8622033 -0.3715831 -3.0905490 0.0706396 0.8347709 -0.2526768 -2.5696643 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xyx) -0.00000003 (xyx) -0.00000003 (xxy) 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 ... [ 10 10 10 ] 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: 0.78, Number of G-points: 307, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/172) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 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 3.073 ( 0.000 0.000 0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 5.148 ( 0.000 0.000 0.000) 0.000 5.148 ( 0.000 0.000 0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 6.358 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.839 ( 0.000 0.000 0.000) 0.000 7.839 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 9.495 ( 0.000 0.000 0.000) 0.000 9.495 ( 0.000 0.000 0.000) 0.000 9.630 ( 0.000 0.000 0.000) 0.000 10.197 ( 0.000 0.000 0.000) 0.000 10.197 ( 0.000 0.000 0.000) 0.000 12.413 ( 0.000 0.000 0.000) 0.000 12.637 ( 0.000 0.000 0.000) 0.000 12.637 ( 0.000 0.000 0.000) 0.000 13.298 ( 0.000 0.000 0.000) 0.000 13.298 ( 0.000 0.000 0.000) 0.000 16.449 ( 0.000 0.000 0.000) 0.000 16.619 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/172) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 10.713 9.349 12.900) 19.198 0.419 ( 17.911 6.112 8.834) 20.886 0.910 ( 37.493 22.102 5.292) 43.843 3.014 ( -5.739 -2.520 -1.146) 6.372 3.102 ( -8.968 -10.233 3.311) 14.004 3.257 ( -9.037 0.200 -10.413) 13.789 3.493 ( 5.465 -2.783 -6.903) 9.234 3.784 ( 6.286 6.667 4.315) 10.128 4.258 ( 3.386 2.074 -2.469) 4.676 5.095 ( -5.770 -3.549 5.066) 8.458 5.132 ( -0.065 0.134 -4.640) 4.643 5.549 ( 1.360 1.082 -2.856) 3.344 6.323 ( -3.339 -1.571 0.623) 3.743 7.279 ( -4.192 -7.443 4.461) 9.637 7.630 ( -20.318 -4.923 14.289) 25.322 7.763 ( -1.564 -7.347 -5.180) 9.124 8.211 ( 19.317 14.059 -42.223) 48.514 8.976 ( -34.137 -17.165 -5.888) 38.661 9.388 ( -4.042 -12.052 0.087) 12.712 9.590 ( 7.715 6.427 -0.721) 10.067 10.290 ( 1.150 14.210 -0.314) 14.260 10.652 ( 22.959 9.582 0.565) 24.885 11.262 ( -22.035 -7.956 32.032) 39.685 12.332 ( -4.651 -7.359 6.669) 10.967 12.683 ( 5.644 -2.955 -1.813) 6.624 13.346 ( 0.168 6.340 2.972) 7.004 13.461 ( 14.764 5.278 0.148) 15.679 16.087 ( 12.796 7.753 -62.579) 64.342 16.485 ( 3.774 2.051 -3.730) 5.689 17.027 ( -10.256 -5.903 39.130) 40.880 ======================= Grid point 2 (3/172) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 11.152 9.309 11.173) 18.327 0.840 ( 17.413 7.879 7.382) 20.489 1.718 ( 30.462 16.471 3.314) 34.788 2.801 ( -11.234 -15.523 2.349) 19.306 2.849 ( -7.874 -1.137 -4.011) 8.910 3.095 ( -7.479 2.281 -5.417) 9.512 3.442 ( -0.670 -5.243 -7.386) 9.083 3.972 ( 4.492 3.797 8.658) 10.467 4.347 ( 6.388 3.706 -4.108) 8.451 4.973 ( -8.656 -4.540 7.058) 12.056 5.090 ( 0.916 -0.952 -8.262) 8.367 5.533 ( -1.989 0.112 -3.254) 3.815 6.228 ( -7.790 -1.676 2.748) 8.428 7.044 ( -29.646 3.268 8.756) 31.084 7.307 ( -3.889 -28.436 5.243) 29.175 7.633 ( -1.667 -5.536 -2.803) 6.425 8.180 ( -12.183 -7.815 -3.515) 14.894 8.464 ( 1.568 6.116 -32.153) 32.767 9.219 ( -0.896 -7.203 -5.867) 9.333 9.845 ( 13.954 6.804 0.136) 15.525 10.458 ( -0.954 18.873 0.602) 18.907 10.907 ( -15.767 9.654 14.526) 23.512 11.071 ( 2.953 -10.203 6.510) 12.458 12.267 ( 2.454 -12.067 7.077) 14.203 12.708 ( 4.224 -5.422 -4.218) 8.064 13.439 ( -1.788 8.684 5.206) 10.281 13.843 ( 20.108 9.175 2.126) 22.204 15.918 ( -0.916 0.693 -27.875) 27.899 16.543 ( 2.732 1.079 -0.562) 2.990 17.052 ( -3.814 -2.805 13.958) 14.739 ======================= Grid point 3 (4/172) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 11.134 8.248 7.917) 15.958 1.241 ( 14.335 9.628 4.638) 17.880 2.122 ( 3.410 -0.571 -2.477) 4.253 2.502 ( -9.248 -13.246 4.317) 16.722 2.789 ( -3.168 5.303 -4.046) 7.384 2.955 ( -0.514 -0.967 -5.343) 5.454 3.345 ( 1.963 -0.908 -2.802) 3.540 4.112 ( 1.732 1.992 7.920) 8.349 4.488 ( 9.733 2.090 -2.530) 10.271 4.815 ( -12.055 -1.831 6.837) 13.979 5.038 ( 3.572 -4.518 -9.478) 11.090 5.436 ( -6.757 -1.014 -2.219) 7.184 6.026 ( -19.826 0.996 3.162) 20.101 6.560 ( -25.227 -2.290 3.753) 25.607 7.106 ( 3.976 -25.461 12.397) 28.597 7.580 ( -1.024 -0.852 2.201) 2.573 7.923 ( 0.289 -13.233 -10.337) 16.794 8.352 ( -5.641 10.296 -21.871) 24.823 9.153 ( 4.067 0.004 -13.417) 14.020 10.140 ( 12.981 3.850 -0.917) 13.571 10.625 ( -4.562 21.008 2.678) 21.664 10.769 ( -12.135 -0.184 22.300) 25.389 11.132 ( 4.127 0.072 -0.562) 4.166 12.238 ( 3.131 -13.427 4.383) 14.467 12.651 ( 1.164 -8.373 -6.603) 10.726 13.512 ( -2.934 6.957 5.210) 9.173 14.309 ( 19.738 11.565 4.525) 23.320 15.700 ( -5.824 -1.471 -18.060) 19.033 16.588 ( 1.379 0.073 2.321) 2.701 17.019 ( -3.786 -3.654 3.928) 6.566 ======================= Grid point 4 (5/172) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 8.508 6.682 4.198) 11.604 1.531 ( 6.995 7.833 0.288) 10.505 1.996 ( -4.445 -8.524 -0.671) 9.637 2.298 ( -5.239 -8.052 3.350) 10.173 2.573 ( -14.198 1.029 -5.438) 15.239 2.943 ( 0.063 -3.912 -4.588) 6.029 3.608 ( 19.520 9.139 0.705) 21.565 4.166 ( -1.647 -0.775 5.628) 5.915 4.590 ( -8.421 -6.096 5.406) 11.717 4.709 ( 5.775 6.831 0.338) 8.952 5.010 ( 5.977 -5.252 -7.599) 11.002 5.257 ( -10.538 -2.473 -2.197) 11.045 5.686 ( -20.933 4.462 1.620) 21.465 6.293 ( -6.049 -7.107 3.183) 9.861 7.126 ( 2.715 -6.488 22.168) 23.257 7.559 ( 1.634 -3.846 -12.432) 13.115 7.752 ( 2.963 -10.410 -9.922) 14.683 8.220 ( -7.878 8.934 -7.461) 14.055 9.139 ( 3.237 0.781 -11.079) 11.569 10.285 ( 1.417 2.026 1.123) 2.715 10.688 ( -1.859 2.741 5.171) 6.141 10.903 ( 3.204 9.424 11.213) 14.993 11.215 ( 2.362 5.475 0.667) 6.000 12.161 ( -0.411 -9.981 1.254) 10.068 12.513 ( -1.588 -8.389 -5.757) 10.297 13.546 ( -2.132 3.262 3.100) 4.979 14.765 ( 16.385 10.852 6.553) 20.716 15.451 ( -8.487 -3.499 -12.955) 15.878 16.628 ( 1.008 0.175 3.527) 3.673 16.920 ( -3.880 -3.830 -1.043) 5.551 ======================= Grid point 5 (6/172) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 0.000 0.000 0.000) 0.000 1.624 ( 0.000 -0.000 0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 3.910 ( -0.000 -0.000 0.000) 0.000 4.127 ( 0.000 0.000 -0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 4.872 ( 0.000 -0.000 0.000) 0.000 5.049 ( -0.000 -0.000 0.000) 0.000 5.052 ( 0.000 0.000 -0.000) 0.000 5.527 ( -0.000 0.000 0.000) 0.000 6.220 ( 0.000 -0.000 0.000) 0.000 7.305 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.718 ( 0.000 -0.000 -0.000) 0.000 8.172 ( 0.000 -0.000 0.000) 0.000 9.130 ( 0.000 0.000 -0.000) 0.000 10.302 ( -0.000 0.000 0.000) 0.000 10.706 ( 0.000 0.000 0.000) 0.000 11.040 ( 0.000 -0.000 0.000) 0.000 11.278 ( 0.000 0.000 0.000) 0.000 12.099 ( 0.000 0.000 0.000) 0.000 12.424 ( 0.000 0.000 0.000) 0.000 13.553 ( 0.000 0.000 0.000) 0.000 15.110 ( -0.000 -0.000 -0.000) 0.000 15.192 ( 0.000 0.000 0.000) 0.000 16.660 ( 0.000 0.000 0.000) 0.000 16.849 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/172) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -4.889 9.705 16.087) 19.413 0.532 ( 2.215 14.708 16.389) 22.132 0.980 ( 0.308 40.863 10.965) 42.310 2.959 ( 0.531 -12.585 -5.835) 13.882 3.030 ( -2.395 -4.977 -3.511) 6.545 3.388 ( -1.058 -7.267 2.889) 7.891 3.529 ( -7.959 9.564 -15.363) 19.770 3.648 ( 8.436 5.094 5.378) 11.227 4.242 ( 0.025 4.368 -3.136) 5.377 4.985 ( 0.269 -12.357 -4.851) 13.278 5.232 ( -0.507 4.449 4.844) 6.597 5.530 ( 0.763 3.302 -5.434) 6.404 6.328 ( 0.343 -4.570 2.079) 5.032 7.016 ( -9.826 -11.310 -16.410) 22.221 7.516 ( 5.536 -26.397 7.916) 28.109 7.961 ( 4.069 18.627 -22.217) 29.276 8.204 ( 2.187 22.175 -3.873) 22.616 8.969 ( 4.491 -35.098 1.585) 35.419 9.296 ( -12.423 -12.460 -7.540) 19.142 9.609 ( -4.289 10.018 -1.103) 10.953 10.293 ( 18.671 6.318 0.467) 19.716 10.667 ( -7.410 25.459 0.197) 26.516 11.385 ( 8.707 -41.883 23.737) 48.923 12.406 ( -6.334 -10.020 15.040) 19.150 12.772 ( -7.984 8.946 6.053) 13.432 13.279 ( 5.037 0.054 -2.473) 5.612 13.506 ( -0.748 16.065 3.780) 16.521 15.723 ( 0.665 40.812 -57.578) 70.578 16.478 ( -0.143 2.583 -0.010) 2.587 17.174 ( -0.079 -21.526 22.223) 30.939 ======================= Grid point 13 (8/172) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 12.876 10.379 13.703) 21.478 0.821 ( 4.090 12.906 13.719) 19.275 1.572 ( 16.172 30.399 6.541) 35.049 2.744 ( -3.847 -15.759 -6.918) 17.635 2.907 ( -4.695 -5.054 -2.075) 7.203 3.211 ( -8.433 -3.797 0.074) 9.249 3.421 ( -4.393 3.603 -9.188) 10.803 3.880 ( 10.482 -3.047 4.553) 11.827 4.299 ( 2.775 7.242 -4.211) 8.825 4.825 ( 2.039 -16.511 -4.868) 17.333 5.253 ( -6.492 7.203 1.615) 9.831 5.549 ( -0.003 3.490 -2.621) 4.365 6.281 ( -1.730 -6.214 2.671) 6.981 6.776 ( 8.639 -20.785 -12.420) 25.708 7.370 ( 1.446 -23.357 2.256) 23.510 7.922 ( -16.831 2.677 6.341) 18.184 8.302 ( -11.318 10.892 -11.486) 19.459 8.485 ( -16.956 -3.591 -8.753) 19.417 9.074 ( 3.316 -6.390 -13.508) 15.307 9.642 ( 5.632 1.037 0.710) 5.770 10.682 ( 8.474 9.110 9.659) 15.751 10.835 ( 5.804 12.815 -6.770) 15.613 11.235 ( 3.714 -31.665 15.088) 35.272 12.190 ( -13.634 -5.128 5.927) 15.726 12.714 ( -7.940 2.850 3.683) 9.204 13.482 ( 10.322 -1.005 3.007) 10.799 13.760 ( 7.725 22.879 5.385) 24.741 15.770 ( 2.710 17.063 -32.371) 36.693 16.516 ( 1.761 2.292 -0.668) 2.966 17.089 ( -0.870 -15.039 10.866) 18.574 ======================= Grid point 14 (9/172) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 6.519 11.374 9.298) 16.072 1.155 ( 12.810 11.581 10.092) 20.001 2.050 ( 8.498 10.973 -0.210) 13.881 2.487 ( -3.638 -13.501 -2.093) 14.138 2.787 ( -1.905 -1.636 -1.382) 2.866 3.035 ( -8.563 -1.610 -5.664) 10.392 3.328 ( -1.951 1.704 -3.952) 4.725 4.018 ( 8.964 -7.170 3.350) 11.957 4.391 ( 4.005 3.914 -4.200) 7.000 4.704 ( 5.573 -14.542 -1.527) 15.647 5.179 ( -11.344 8.206 -1.374) 14.068 5.529 ( -4.767 1.509 -0.218) 5.005 6.173 ( -3.309 -11.659 3.516) 12.619 6.697 ( 8.085 -16.372 -4.801) 18.880 7.147 ( -9.404 -8.242 0.740) 12.527 7.545 ( -21.330 -3.582 -5.974) 22.439 7.951 ( -12.426 -10.246 13.425) 20.967 8.457 ( -5.066 21.902 -18.176) 28.909 9.006 ( 3.719 0.332 -16.288) 16.710 9.821 ( 16.163 -4.991 -0.415) 16.922 10.862 ( 2.769 -18.298 5.284) 19.246 10.906 ( 0.137 13.322 5.202) 14.303 11.211 ( 1.966 -0.171 6.311) 6.613 12.029 ( -1.878 -6.006 2.561) 6.794 12.603 ( -6.562 -4.003 -0.125) 7.688 13.575 ( 1.976 -3.175 3.453) 5.090 14.239 ( 14.142 23.347 7.871) 28.408 15.692 ( -4.362 7.690 -19.900) 21.776 16.561 ( 2.393 0.509 -0.780) 2.568 16.993 ( -0.267 -12.765 2.478) 13.006 ======================= Grid point 15 (10/172) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 6.897 8.967 6.191) 12.896 1.504 ( 8.178 10.893 3.730) 14.123 2.013 ( -7.476 -5.711 -1.608) 9.544 2.334 ( -4.885 -7.790 2.280) 9.473 2.766 ( -8.428 -0.993 -4.963) 9.831 2.843 ( 1.174 -1.595 -5.659) 5.996 3.435 ( 10.803 8.985 -0.312) 14.055 4.074 ( 6.734 -9.934 -2.260) 12.212 4.440 ( 7.223 -11.854 3.175) 14.239 4.745 ( 7.803 0.374 -0.331) 7.818 5.014 ( -14.231 6.426 -2.690) 15.845 5.409 ( -9.688 -0.599 0.045) 9.707 6.010 ( -7.291 -9.198 4.462) 12.557 6.505 ( -18.150 2.108 -0.564) 18.281 7.067 ( 8.420 -11.286 -4.535) 14.793 7.262 ( -2.505 3.896 -7.207) 8.567 7.842 ( -5.904 -3.508 15.248) 16.723 8.409 ( -9.142 10.828 -6.346) 15.527 8.985 ( 5.264 4.855 -18.916) 20.226 10.026 ( 16.279 -9.187 -3.196) 18.963 10.735 ( 1.570 -20.917 8.840) 22.762 11.081 ( -0.701 16.839 2.143) 16.990 11.284 ( -0.277 3.441 3.792) 5.128 12.025 ( 4.332 -5.726 5.011) 8.756 12.413 ( -5.470 -9.405 -4.560) 11.797 13.560 ( 0.147 -6.342 1.503) 6.520 14.740 ( 12.281 20.705 9.144) 25.751 15.524 ( -8.949 4.102 -12.665) 16.041 16.595 ( 2.866 -0.890 -1.611) 3.406 16.869 ( -0.176 -11.013 -2.330) 11.258 ======================= Grid point 16 (11/172) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 1.178 7.124 2.766) 7.733 1.648 ( -0.932 2.939 0.171) 3.088 1.852 ( -0.923 -5.946 1.888) 6.307 2.246 ( -1.203 1.451 0.602) 1.978 2.532 ( -11.160 0.417 -3.394) 11.672 2.864 ( 3.433 -0.157 -0.637) 3.495 3.762 ( 16.027 8.661 -3.889) 18.628 4.027 ( 3.979 -13.084 -5.002) 14.562 4.409 ( 0.618 -16.746 4.336) 17.310 4.858 ( -2.958 2.517 -3.804) 5.437 4.941 ( 7.253 9.407 1.810) 12.015 5.212 ( -12.308 -1.875 2.152) 12.634 5.793 ( -15.840 0.653 3.117) 16.157 6.310 ( -8.528 5.898 0.117) 10.370 6.976 ( 8.808 -6.503 -24.304) 26.656 7.438 ( 6.861 5.931 8.689) 12.560 7.878 ( -2.367 5.099 16.610) 17.536 8.290 ( -10.929 1.779 3.793) 11.705 9.033 ( 7.841 6.375 -14.576) 17.736 10.108 ( 10.157 -15.076 -4.526) 18.733 10.650 ( 1.735 -11.978 4.751) 13.002 11.183 ( -6.272 9.082 -0.067) 11.037 11.292 ( -1.801 -1.325 0.590) 2.313 12.098 ( 1.515 -2.472 6.889) 7.474 12.274 ( 7.503 -6.323 -4.504) 10.796 13.494 ( 0.783 -8.247 -1.435) 8.408 15.149 ( 6.449 14.424 8.026) 17.722 15.308 ( -11.315 2.279 -4.699) 12.462 16.603 ( 2.527 -2.367 -6.412) 7.287 16.788 ( 3.131 -5.771 -0.924) 6.630 ======================= Grid point 17 (12/172) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -11.522 -0.999 0.543) 11.578 1.581 ( -5.969 -3.682 -0.626) 7.041 1.949 ( 9.822 2.792 0.224) 10.214 2.311 ( -1.012 7.419 -2.448) 7.878 2.435 ( 4.643 2.192 2.451) 5.689 2.974 ( 4.959 4.794 4.685) 8.338 3.817 ( -12.539 -11.326 -1.866) 17.000 3.991 ( 8.075 -1.378 -11.612) 14.211 4.321 ( 10.085 -9.611 -0.076) 13.931 4.847 ( -3.677 2.032 -4.470) 6.134 5.060 ( -1.012 -3.219 6.968) 7.742 5.183 ( 7.347 7.968 2.824) 11.200 5.604 ( -8.906 4.078 1.555) 9.918 6.286 ( 0.521 3.491 -3.325) 4.850 6.985 ( 7.842 11.470 -21.064) 25.234 7.567 ( 2.531 0.309 0.186) 2.556 8.095 ( 2.922 -3.569 5.641) 7.286 8.176 ( -9.183 10.772 28.939) 32.215 9.166 ( 7.411 6.553 -4.431) 10.840 10.030 ( 6.651 -21.346 -5.296) 22.977 10.592 ( 1.252 -9.645 -1.747) 9.881 11.004 ( -15.770 0.803 -5.179) 16.618 11.232 ( -3.148 -1.310 0.342) 3.427 12.156 ( 6.049 0.940 -1.532) 6.310 12.469 ( 12.860 2.404 4.031) 13.689 13.413 ( 1.992 -9.438 -3.586) 10.291 14.976 ( -18.353 -2.329 -2.752) 18.704 15.494 ( 5.668 10.780 12.162) 17.212 16.568 ( 2.572 -1.358 -8.347) 8.839 16.838 ( 6.300 -2.074 -0.642) 6.664 ======================= Grid point 18 (13/172) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -16.086 -2.151 -2.918) 16.489 1.364 ( -12.432 -6.809 -2.297) 14.359 2.153 ( 6.570 5.022 1.291) 8.370 2.380 ( 9.507 3.811 -4.769) 11.299 2.670 ( 9.366 4.702 4.607) 11.448 3.099 ( -5.647 2.897 5.041) 8.105 3.456 ( -10.320 -2.770 1.028) 10.734 3.945 ( 4.730 -9.549 -11.318) 15.545 4.500 ( 15.887 -4.454 -3.185) 16.804 4.687 ( -11.435 0.943 -0.341) 11.479 5.165 ( 4.827 -0.564 5.513) 7.349 5.365 ( 5.304 5.836 2.128) 8.168 5.661 ( 11.695 1.924 0.628) 11.869 6.354 ( 6.577 5.070 -4.345) 9.372 7.131 ( 7.551 15.478 -17.831) 24.790 7.631 ( 1.036 9.177 1.246) 9.319 7.962 ( -0.314 -16.229 3.996) 16.717 8.524 ( -0.544 15.736 30.248) 34.101 9.317 ( 0.656 7.531 6.218) 9.788 9.879 ( 8.589 -28.416 -4.312) 29.997 10.469 ( 2.336 -8.496 -13.784) 16.359 10.711 ( -15.670 1.276 0.667) 15.736 11.209 ( -1.524 4.754 -0.115) 4.994 12.247 ( 4.653 3.039 -8.452) 10.116 12.706 ( 7.953 1.206 3.820) 8.904 13.343 ( 3.183 -8.405 -2.107) 9.231 14.586 ( -22.626 -3.647 -0.702) 22.928 15.766 ( 5.667 7.855 14.268) 17.245 16.561 ( 2.228 0.918 -5.499) 6.003 16.904 ( 5.617 -3.079 -4.465) 7.808 ======================= Grid point 19 (14/172) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -18.191 0.224 -4.630) 18.772 1.026 ( -16.933 -6.864 -2.823) 18.488 2.095 ( -21.279 -2.756 -0.630) 21.466 2.604 ( 15.578 0.494 -4.545) 16.235 2.790 ( 3.450 3.894 0.898) 5.280 3.036 ( 2.535 2.165 4.088) 5.274 3.544 ( 2.809 8.986 8.719) 12.832 3.831 ( 3.100 -11.455 -11.268) 16.365 4.492 ( -9.744 -0.736 1.383) 9.869 4.710 ( 13.728 -2.267 -3.420) 14.328 5.220 ( -1.703 1.938 3.173) 4.090 5.517 ( 4.235 2.588 3.195) 5.903 5.970 ( 20.268 -0.235 0.258) 20.271 6.566 ( 15.328 6.650 -5.001) 17.441 7.286 ( 11.381 9.564 -13.947) 20.384 7.697 ( -2.880 -11.400 13.038) 17.557 8.000 ( 16.049 7.062 -7.050) 18.898 8.777 ( -6.236 6.727 23.802) 25.509 9.400 ( -6.193 14.532 1.311) 15.851 9.699 ( 2.774 -26.831 2.287) 27.070 10.432 ( 12.170 -4.954 -11.594) 17.523 10.553 ( -7.620 3.628 7.622) 11.372 11.233 ( -4.586 7.961 -1.563) 9.320 12.232 ( 2.051 -1.039 -13.798) 13.988 12.777 ( 1.632 -4.495 0.080) 4.783 13.351 ( 2.313 -0.908 2.856) 3.786 14.150 ( -24.298 -3.332 -0.575) 24.532 16.034 ( 6.568 5.593 14.484) 16.858 16.580 ( 0.312 2.403 0.411) 2.458 16.884 ( 2.566 -5.333 -10.580) 12.123 ======================= Grid point 20 (15/172) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -18.184 7.581 -2.095) 19.812 0.647 ( -18.898 -6.490 1.093) 20.012 1.505 ( -40.204 0.059 -0.483) 40.207 2.832 ( 15.166 -2.030 -0.798) 15.322 2.955 ( 9.172 0.844 -2.573) 9.564 3.183 ( 7.408 3.955 1.992) 8.631 3.618 ( -2.471 -6.160 -6.551) 9.325 3.759 ( 0.199 3.678 5.230) 6.397 4.349 ( -7.287 0.082 0.235) 7.291 4.902 ( 12.070 -0.269 -0.216) 12.075 5.205 ( -2.551 -0.062 -0.052) 2.552 5.576 ( -0.078 -0.112 0.803) 0.815 6.236 ( 8.861 0.444 1.871) 9.067 6.908 ( 21.667 6.313 -4.576) 23.027 7.544 ( 10.585 18.845 -15.263) 26.461 7.602 ( 7.228 -29.377 17.584) 34.992 8.402 ( 25.562 1.331 -4.627) 26.011 8.745 ( -8.358 -3.128 5.796) 10.641 9.379 ( -0.970 -1.176 -10.930) 11.035 9.592 ( -3.506 6.010 4.211) 8.133 10.423 ( -8.692 -0.148 13.658) 16.190 10.771 ( 13.814 6.086 6.434) 16.409 11.093 ( -12.592 -1.865 -5.665) 13.933 12.192 ( 6.826 -2.112 -7.586) 10.422 12.726 ( -1.070 -2.360 -4.210) 4.944 13.395 ( -2.427 2.251 5.398) 6.332 13.721 ( -22.059 -0.992 -1.394) 22.125 16.257 ( 7.844 -0.055 0.940) 7.900 16.629 ( 0.163 0.011 -0.247) 0.296 16.765 ( -2.952 0.109 -0.644) 3.023 ======================= Grid point 22 (16/172) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -7.902 10.209 12.705) 18.113 0.801 ( -6.897 12.593 14.050) 20.089 1.591 ( -17.524 32.315 7.443) 37.507 2.781 ( 1.482 -13.073 -5.106) 14.113 2.976 ( 0.571 -6.771 -1.556) 6.970 3.156 ( 17.290 -1.480 -0.084) 17.353 3.494 ( 3.328 4.330 -10.972) 12.256 3.829 ( -12.656 -4.654 5.049) 14.399 4.302 ( -3.035 7.562 -3.113) 8.723 4.823 ( -1.898 -15.626 -5.950) 16.828 5.277 ( 5.910 6.632 5.099) 10.243 5.507 ( 0.593 1.714 -5.743) 6.023 6.244 ( 4.055 -9.906 3.262) 11.190 7.048 ( 6.085 -20.488 6.959) 22.477 7.231 ( -17.941 -20.099 -17.274) 32.004 7.779 ( 11.064 -2.003 -8.054) 13.831 8.138 ( 7.686 14.905 -20.482) 26.472 8.626 ( 21.471 -6.200 12.082) 25.405 9.400 ( -15.264 -7.511 -7.014) 18.401 9.669 ( 11.881 7.763 12.151) 18.684 10.194 ( -6.697 5.828 -10.712) 13.913 10.846 ( 3.484 -15.573 7.967) 17.836 11.142 ( -5.285 -0.646 -3.000) 6.111 12.483 ( 1.333 -3.366 16.675) 17.064 12.854 ( 7.818 3.512 8.059) 11.764 13.289 ( -5.939 -2.562 -4.019) 7.615 13.795 ( -9.416 19.041 5.388) 21.914 15.739 ( -1.865 15.631 -33.698) 37.194 16.528 ( -2.194 3.291 -0.351) 3.971 17.104 ( 0.272 -13.809 11.551) 18.005 ======================= Grid point 23 (17/172) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -1.701 11.818 16.249) 20.164 1.000 ( 0.660 12.118 13.820) 18.392 1.814 ( -1.400 30.849 4.787) 31.250 2.593 ( -2.143 -14.989 -6.391) 16.435 2.903 ( -1.793 -2.719 -1.719) 3.683 3.260 ( -1.689 -9.127 0.770) 9.314 3.455 ( -2.385 3.051 -12.913) 13.482 3.714 ( 4.203 -4.878 3.408) 7.286 4.325 ( -0.554 7.001 -4.082) 8.123 4.610 ( 0.080 -15.733 -4.675) 16.413 5.392 ( -1.356 4.845 2.328) 5.544 5.551 ( 3.102 4.989 -2.011) 6.209 6.218 ( 0.798 -10.566 1.529) 10.706 6.566 ( -11.850 -15.463 -11.635) 22.692 7.043 ( 7.259 -27.193 4.051) 28.435 7.877 ( 10.607 0.805 -13.538) 17.217 8.295 ( 8.892 0.142 -8.362) 12.207 8.804 ( -16.997 -0.310 9.447) 19.448 8.992 ( -1.334 -7.942 0.326) 8.060 9.777 ( -16.689 11.969 -9.120) 22.471 10.406 ( 24.413 4.242 0.456) 24.783 10.747 ( 9.790 -32.691 0.115) 34.126 11.045 ( -6.986 14.501 -3.764) 16.530 12.451 ( -9.939 -9.894 18.077) 22.879 12.982 ( -10.774 2.264 3.400) 11.523 13.256 ( 13.143 0.627 -0.990) 13.195 13.969 ( 0.416 22.331 7.920) 23.697 15.705 ( 1.969 16.720 -27.993) 32.666 16.525 ( -0.955 2.695 -1.489) 3.223 16.996 ( -1.186 -17.565 7.617) 19.182 ======================= Grid point 24 (18/172) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 8.418 13.108 14.888) 21.548 1.217 ( 2.674 10.932 10.309) 15.262 2.076 ( 2.772 13.979 -0.634) 14.265 2.365 ( -1.946 -13.794 -5.746) 15.069 2.840 ( -5.295 1.074 0.004) 5.403 3.081 ( -5.737 -6.859 -3.652) 9.659 3.357 ( -2.195 2.693 -7.567) 8.327 3.788 ( 8.830 -9.525 -0.447) 12.996 4.291 ( 1.587 -9.545 -5.995) 11.383 4.546 ( 3.335 0.447 1.873) 3.851 5.395 ( -5.808 7.123 -1.901) 9.385 5.607 ( -1.433 1.829 1.778) 2.926 6.020 ( -0.651 -16.795 -5.932) 17.824 6.442 ( 9.271 -9.818 0.922) 13.534 6.899 ( 3.095 -21.239 1.081) 21.490 7.888 ( -3.599 1.773 -8.956) 9.813 8.187 ( -16.301 -8.072 12.564) 22.107 8.629 ( 0.983 14.579 -24.896) 28.868 8.940 ( -10.446 2.936 4.210) 11.639 9.601 ( 0.560 -2.454 -5.763) 6.289 10.468 ( 8.847 -31.867 -2.197) 33.145 10.930 ( 19.555 0.700 5.058) 20.211 11.108 ( -0.504 14.386 -4.259) 15.012 12.267 ( -13.686 -7.014 15.520) 21.849 12.771 ( -14.336 0.583 -1.287) 14.406 13.457 ( 8.466 -3.982 1.117) 9.422 14.344 ( 9.245 24.325 9.415) 27.674 15.690 ( -0.434 10.083 -20.326) 22.693 16.524 ( 0.612 0.386 -2.884) 2.974 16.851 ( 0.229 -17.395 2.625) 17.593 ======================= Grid point 25 (19/172) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 2.374 8.079 6.612) 10.706 1.527 ( 7.794 13.068 7.911) 17.149 2.092 ( -6.387 -2.050 -1.512) 6.876 2.291 ( 5.196 -5.703 1.558) 7.871 2.728 ( -3.247 -2.604 -2.714) 4.969 2.892 ( -7.023 -2.277 -8.426) 11.202 3.392 ( 4.214 7.272 -2.486) 8.765 3.791 ( 7.912 -13.345 -6.843) 16.956 4.213 ( 5.784 -14.051 2.388) 15.382 4.677 ( 5.206 6.294 2.342) 8.497 5.287 ( -11.896 4.853 -1.809) 12.974 5.552 ( -6.814 -1.126 1.931) 7.171 5.908 ( 5.161 -9.151 -3.088) 10.950 6.489 ( 9.944 -18.131 -5.292) 21.345 6.815 ( 1.136 -2.512 1.929) 3.365 7.679 ( -20.386 11.586 -3.112) 23.654 8.006 ( -9.265 0.583 13.179) 16.120 8.618 ( -3.416 13.395 -17.062) 21.960 8.831 ( -0.493 -1.407 -5.443) 5.644 9.632 ( 13.096 -12.091 -5.174) 18.560 10.361 ( 13.041 -26.044 2.329) 29.219 11.215 ( 7.810 2.031 5.443) 9.734 11.224 ( 3.097 10.980 -5.586) 12.702 12.121 ( -7.852 -4.862 14.128) 16.879 12.487 ( -15.034 -4.006 -4.852) 16.298 13.479 ( 1.196 -8.021 1.165) 8.193 14.820 ( 11.617 22.171 8.732) 26.509 15.609 ( -4.614 5.942 -13.201) 15.195 16.508 ( 2.049 -2.950 -5.371) 6.461 16.713 ( 1.489 -14.043 -0.714) 14.140 ======================= Grid point 26 (20/172) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 5.228 4.126 2.760) 7.209 1.733 ( -0.638 7.478 2.804) 8.012 1.935 ( -9.652 -2.325 3.004) 10.373 2.294 ( -1.352 1.966 1.706) 2.933 2.658 ( -5.895 -3.586 -3.518) 7.745 2.771 ( 4.667 0.528 -3.562) 5.894 3.563 ( 11.018 3.667 -5.482) 12.841 3.739 ( 8.099 -11.203 -7.743) 15.845 4.223 ( 5.598 -12.418 5.171) 14.570 4.846 ( 5.030 4.420 3.001) 7.338 5.115 ( -11.180 7.060 -2.206) 13.405 5.399 ( -10.062 -3.045 2.752) 10.867 5.908 ( 0.346 -1.367 -0.956) 1.704 6.342 ( 2.684 -18.279 -10.725) 21.363 6.872 ( -3.284 14.458 -0.064) 14.826 7.506 ( -7.893 6.177 -1.115) 10.084 8.052 ( -1.927 8.291 10.795) 13.747 8.561 ( -9.152 2.918 11.195) 14.751 8.840 ( 8.519 7.121 -19.017) 22.020 9.681 ( 14.981 -19.473 -6.535) 25.423 10.410 ( 12.586 -15.850 4.002) 20.632 11.304 ( 0.150 -1.742 2.297) 2.887 11.328 ( -0.798 9.555 -3.096) 10.076 12.078 ( -2.246 -13.625 6.836) 15.409 12.191 ( -6.127 1.815 -3.261) 7.174 13.394 ( -0.854 -9.151 0.033) 9.191 15.243 ( 8.294 17.325 6.725) 20.351 15.477 ( -8.360 2.549 -4.693) 9.920 16.453 ( 3.329 -6.192 -9.655) 11.943 16.654 ( 4.002 -6.418 -0.285) 7.569 ======================= Grid point 27 (21/172) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -0.640 -1.729 -1.937) 2.675 1.688 ( -10.802 3.070 4.009) 11.924 1.831 ( 0.857 -0.848 1.913) 2.261 2.390 ( 2.486 10.218 1.204) 10.585 2.473 ( -6.853 -2.161 -2.214) 7.518 2.928 ( 9.774 4.704 3.533) 11.408 3.593 ( 7.490 -14.981 -11.257) 20.181 3.869 ( 11.358 5.801 -4.499) 13.524 4.157 ( -3.059 -12.385 2.945) 13.092 4.883 ( -3.263 3.119 -0.902) 4.603 5.134 ( 1.525 4.143 2.879) 5.271 5.230 ( -6.552 -0.334 2.797) 7.132 5.816 ( -9.759 2.676 -4.080) 10.911 6.200 ( 4.720 -9.639 -2.950) 11.131 6.995 ( -1.645 23.400 -6.736) 24.406 7.483 ( 3.364 -4.247 0.544) 5.445 8.101 ( -3.794 -1.796 -1.289) 4.391 8.626 ( -5.966 10.529 33.177) 35.315 8.984 ( 12.536 8.663 -16.645) 22.567 9.662 ( 9.987 -18.428 -5.365) 21.636 10.461 ( 4.428 -9.624 -0.176) 10.595 11.204 ( -10.035 -4.167 0.320) 10.870 11.308 ( -5.674 3.874 -2.122) 7.191 11.960 ( 7.875 -7.287 -4.632) 11.686 12.296 ( 9.932 -0.146 3.305) 10.469 13.297 ( -0.454 -7.264 -0.795) 7.322 15.244 ( -14.816 0.195 -0.805) 14.839 15.580 ( 6.140 9.867 8.428) 14.356 16.413 ( 5.518 -2.467 -9.611) 11.354 16.694 ( 5.992 -3.219 -1.034) 6.880 ======================= Grid point 28 (22/172) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -13.220 0.420 1.155) 13.277 1.504 ( -13.100 -1.076 -0.669) 13.161 1.976 ( 13.451 -0.573 -0.512) 13.473 2.310 ( -2.061 -2.373 -2.042) 3.748 2.643 ( 7.074 11.730 2.255) 13.882 3.197 ( 6.328 9.047 7.745) 13.487 3.452 ( 3.016 -14.183 -9.733) 17.464 3.846 ( -12.189 -1.815 -5.033) 13.311 4.170 ( 15.808 -5.187 -0.455) 16.643 4.844 ( -5.530 1.957 -2.142) 6.245 5.084 ( -0.195 -3.748 5.320) 6.510 5.340 ( 6.510 4.021 0.881) 7.702 5.682 ( -5.082 4.385 -1.949) 6.989 6.258 ( 7.420 -0.331 1.922) 7.672 7.114 ( -1.969 12.101 -5.748) 13.541 7.551 ( 10.366 -1.383 -4.592) 11.422 7.923 ( -7.935 -9.285 0.319) 12.218 8.896 ( -2.769 11.035 18.498) 21.717 9.197 ( 16.121 -1.784 6.439) 17.451 9.639 ( 2.760 0.285 -2.474) 3.717 10.321 ( -4.984 -8.585 -12.348) 15.843 10.972 ( -12.379 -2.398 3.704) 13.142 11.280 ( -1.277 5.822 -0.063) 5.961 12.054 ( 10.142 -3.536 -8.329) 13.591 12.490 ( 13.631 -4.743 -0.784) 14.454 13.251 ( 1.348 -2.478 1.744) 3.317 14.938 ( -20.572 -2.199 2.467) 20.836 15.809 ( 6.620 4.809 7.032) 10.789 16.460 ( 6.117 1.714 -5.355) 8.309 16.751 ( 5.199 -2.940 -2.907) 6.643 ======================= Grid point 29 (23/172) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -19.743 5.046 2.819) 20.571 1.238 ( -15.523 -2.836 -1.259) 15.830 2.182 ( 9.610 -2.233 -1.826) 10.033 2.332 ( 8.486 -2.330 -1.441) 8.917 2.829 ( 0.993 7.511 -1.860) 7.801 3.131 ( -9.878 -1.229 -0.537) 9.969 3.540 ( 9.442 -5.892 -4.545) 12.022 3.663 ( -2.096 4.835 4.888) 7.187 4.394 ( 15.020 -1.768 -2.208) 15.284 4.705 ( -9.892 1.383 0.215) 9.991 5.165 ( 7.417 -4.253 2.523) 8.914 5.474 ( 5.692 1.446 0.755) 5.921 5.748 ( 8.319 5.653 1.989) 10.253 6.441 ( 9.253 4.174 2.018) 10.349 7.097 ( 2.716 -8.746 1.661) 9.308 7.654 ( 0.682 -16.421 3.659) 16.838 7.776 ( 7.119 10.297 -14.631) 19.255 8.909 ( 0.406 -9.026 -3.264) 9.606 9.556 ( 1.348 4.717 25.860) 26.322 9.729 ( -4.239 19.127 -3.270) 19.862 10.097 ( 8.575 -5.642 -14.091) 17.433 10.818 ( -10.453 -0.716 11.035) 15.217 11.349 ( -0.906 8.609 -1.589) 8.801 12.044 ( 3.808 -6.491 -12.483) 14.576 12.618 ( 8.966 -5.409 -3.176) 10.943 13.336 ( 4.455 2.938 5.741) 7.839 14.554 ( -24.587 -1.929 2.886) 24.831 15.987 ( 8.092 -0.782 1.557) 8.278 16.556 ( 4.475 1.267 -0.073) 4.651 16.772 ( 2.441 0.009 -2.710) 3.647 ======================= Grid point 30 (24/172) ======================= q-point: (-0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -17.666 -1.895 3.358) 18.081 0.985 ( -19.144 9.914 4.841) 22.096 2.072 ( -20.286 2.948 -1.916) 20.589 2.520 ( 16.591 -3.288 -0.725) 16.929 2.827 ( 1.262 1.370 -2.685) 3.268 3.110 ( 3.970 -0.682 -1.599) 4.334 3.456 ( 3.159 -8.424 -8.342) 12.269 3.869 ( 2.277 9.084 10.130) 13.796 4.473 ( -5.825 0.111 -2.766) 6.449 4.717 ( 10.794 3.510 3.170) 11.785 5.192 ( 0.562 -4.912 -2.298) 5.452 5.542 ( 2.813 -2.441 -0.886) 3.829 6.069 ( 14.848 3.276 4.963) 15.995 6.690 ( 15.604 9.672 2.997) 18.602 7.118 ( 15.349 -28.397 5.884) 32.812 7.532 ( 0.301 -3.782 4.561) 5.932 7.978 ( 16.059 6.646 -17.135) 24.406 8.756 ( -2.143 -11.454 -7.486) 13.850 9.409 ( -13.393 -2.317 -14.239) 19.685 9.827 ( -5.103 20.504 -1.362) 21.173 10.484 ( 19.817 2.039 23.472) 30.787 10.739 ( -5.717 -1.139 10.395) 11.917 11.249 ( -11.977 -5.195 -6.754) 14.698 12.031 ( 7.225 3.345 -3.566) 8.723 12.665 ( 3.714 0.829 -5.835) 6.967 13.466 ( 1.123 1.463 7.019) 7.257 14.138 ( -25.303 1.893 1.889) 25.444 16.049 ( 6.439 -6.431 -11.729) 14.845 16.578 ( -0.116 -2.066 -1.845) 2.773 16.869 ( 3.375 6.215 8.553) 11.098 ======================= Grid point 32 (25/172) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -7.111 10.191 11.028) 16.614 1.142 ( -10.034 10.314 7.935) 16.433 2.106 ( -7.723 12.854 0.052) 14.996 2.631 ( -1.321 -12.447 -1.907) 12.661 2.822 ( 15.720 0.691 3.544) 16.130 2.943 ( 0.714 2.007 -4.573) 5.045 3.373 ( 4.525 0.873 -7.473) 8.779 3.991 ( -10.849 -8.138 3.415) 13.985 4.451 ( -6.287 10.208 -2.197) 12.188 4.664 ( -2.442 -17.532 -5.117) 18.426 5.243 ( 9.324 7.380 3.806) 12.485 5.445 ( 3.441 -1.374 -3.831) 5.330 5.999 ( 10.216 -20.864 1.797) 23.300 6.636 ( 11.879 -14.260 0.832) 18.579 7.414 ( -19.379 -7.835 -4.898) 21.469 7.592 ( 7.639 0.975 -0.491) 7.717 7.997 ( 1.513 2.282 -22.697) 22.862 8.268 ( 26.452 4.468 6.292) 27.555 9.349 ( 15.634 16.530 -6.465) 23.653 9.810 ( -21.467 -20.582 14.436) 33.058 10.365 ( -9.788 8.187 -9.173) 15.716 10.696 ( -5.077 -18.681 9.061) 21.374 11.212 ( 0.852 6.176 -3.644) 7.221 12.484 ( 7.716 -0.226 7.810) 10.981 12.786 ( 7.647 2.265 1.300) 8.081 13.335 ( -7.875 -8.650 1.888) 11.849 14.215 ( -13.413 18.266 5.887) 23.414 15.626 ( 3.491 4.885 -22.210) 23.007 16.593 ( -1.916 2.204 0.487) 2.961 17.039 ( 0.571 -9.961 3.777) 10.668 ======================= Grid point 33 (26/172) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -5.417 12.247 11.601) 17.718 1.228 ( -3.119 11.038 13.045) 17.371 2.133 ( -4.513 13.904 -0.942) 14.648 2.451 ( -2.505 -14.194 -3.732) 14.889 2.939 ( -2.152 7.553 0.210) 7.857 3.076 ( 11.909 -6.063 -1.747) 13.478 3.377 ( 2.608 -0.402 -10.825) 11.142 3.714 ( -9.506 -10.783 0.198) 14.376 4.343 ( -4.817 -8.145 -7.674) 12.184 4.523 ( -1.508 0.753 2.839) 3.302 5.417 ( 3.463 0.808 1.433) 3.834 5.515 ( 5.529 4.234 -0.353) 6.973 6.013 ( 10.962 -15.207 0.465) 18.752 6.485 ( -9.590 -27.676 -10.845) 31.234 6.924 ( -13.427 -4.337 5.036) 14.982 7.672 ( 5.159 0.480 -1.117) 5.301 8.049 ( 12.395 6.613 -22.386) 26.429 8.769 ( 19.721 -5.673 13.266) 24.435 9.171 ( -23.730 -13.535 6.329) 28.042 10.005 ( 23.561 11.719 2.440) 26.428 10.155 ( -13.017 5.005 -16.907) 21.917 10.462 ( -5.724 -14.230 4.233) 15.912 11.210 ( -3.336 8.518 -6.756) 11.372 12.559 ( -0.943 -10.622 11.193) 15.460 12.977 ( 10.805 -2.371 6.835) 13.004 13.169 ( -3.694 -2.259 -3.858) 5.799 14.283 ( -6.201 19.967 8.489) 22.565 15.610 ( 3.997 8.960 -21.801) 23.906 16.571 ( -2.610 2.066 -1.999) 3.883 16.911 ( -3.005 -15.688 3.531) 16.359 ======================= Grid point 34 (27/172) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 1.272 14.371 15.298) 21.028 1.367 ( -1.218 8.359 10.360) 13.367 2.163 ( -2.299 3.658 -2.949) 5.231 2.235 ( -2.577 -12.345 -4.260) 13.311 2.994 ( -5.419 11.898 -0.762) 13.096 3.037 ( -1.798 -10.454 -4.986) 11.721 3.322 ( 0.923 -0.457 -9.188) 9.246 3.555 ( 4.360 -11.393 -3.663) 12.736 4.138 ( -1.827 -12.979 -1.967) 13.254 4.583 ( 0.466 6.860 3.885) 7.897 5.475 ( 1.111 5.824 -3.232) 6.753 5.621 ( 2.938 -0.987 2.997) 4.311 5.918 ( -11.541 -16.954 -4.831) 21.071 6.084 ( 12.093 -18.818 -5.156) 22.955 6.822 ( -3.421 -6.262 11.494) 13.529 7.770 ( 6.490 0.000 -3.857) 7.550 8.161 ( 11.190 2.336 -16.696) 20.235 8.738 ( -16.451 -6.020 4.373) 18.055 9.003 ( 6.643 -10.344 6.338) 13.832 9.730 ( -18.092 0.958 -20.528) 27.380 10.185 ( -4.634 -10.084 4.197) 11.865 10.652 ( 21.059 9.758 3.739) 23.509 11.218 ( -1.234 10.596 -6.310) 12.394 12.429 ( -7.132 -16.375 12.953) 22.063 12.962 ( -8.155 -2.865 -2.494) 8.996 13.269 ( 11.177 0.786 1.017) 11.250 14.514 ( 3.340 19.772 9.325) 22.114 15.617 ( 3.107 7.163 -18.079) 19.693 16.515 ( -2.514 -0.670 -4.226) 4.962 16.720 ( -2.377 -16.589 2.657) 16.968 ======================= Grid point 35 (28/172) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -0.788 6.010 6.294) 8.739 1.604 ( 5.724 14.088 10.620) 18.548 2.098 ( 4.399 -7.602 -0.541) 8.800 2.157 ( 0.210 -0.071 -0.110) 0.248 2.810 ( -8.688 -10.257 1.587) 13.536 2.918 ( -7.538 4.442 -13.214) 15.848 3.354 ( 4.775 4.464 -4.788) 8.102 3.494 ( 5.825 -12.855 -7.808) 16.130 4.038 ( 3.073 -10.270 4.181) 11.507 4.704 ( 2.245 6.869 4.102) 8.310 5.467 ( -7.049 2.194 -1.941) 7.633 5.626 ( -2.364 -3.659 3.215) 5.414 5.707 ( 5.779 -4.350 -5.602) 9.149 6.065 ( 10.437 -17.669 -8.053) 22.045 6.844 ( 1.024 -3.317 15.597) 15.979 7.798 ( 1.146 1.105 -8.287) 8.438 8.247 ( 5.794 1.019 -5.229) 7.871 8.574 ( -4.593 6.978 -0.052) 8.354 8.870 ( -7.360 -11.990 -7.354) 15.875 9.404 ( -4.597 -5.262 -11.250) 13.243 10.097 ( -0.402 -5.668 8.907) 10.565 11.055 ( 14.468 5.053 3.216) 15.659 11.282 ( 1.166 11.391 -6.629) 13.231 12.220 ( -6.613 -18.980 12.287) 23.557 12.721 ( -15.603 -0.043 -5.064) 16.404 13.393 ( 3.429 -3.557 1.652) 5.210 14.880 ( 10.513 17.994 6.853) 21.938 15.599 ( 0.710 4.061 -12.781) 13.430 16.406 ( -1.191 -8.312 -5.233) 9.894 16.584 ( 0.120 -8.868 0.694) 8.896 ======================= Grid point 36 (29/172) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -0.198 2.122 2.571) 3.340 1.826 ( 1.460 9.272 2.810) 9.798 2.081 ( -4.360 0.299 3.337) 5.499 2.307 ( 8.611 2.766 6.031) 10.870 2.611 ( -3.119 -6.203 -0.577) 6.967 2.740 ( -4.704 -0.704 -10.598) 11.616 3.358 ( 4.156 -9.288 -8.914) 13.528 3.505 ( 8.568 -0.696 -2.330) 8.907 4.086 ( 5.688 -3.257 4.302) 7.840 4.839 ( 3.890 4.112 4.403) 7.171 5.322 ( -9.333 2.082 -3.123) 10.059 5.518 ( -7.122 -5.398 2.456) 9.268 5.817 ( 8.430 4.002 -4.880) 10.530 5.994 ( 7.388 -15.710 -7.931) 19.087 6.989 ( 4.287 1.140 14.526) 15.188 7.724 ( -7.769 5.531 -7.328) 12.027 8.258 ( -5.170 7.213 -9.540) 13.029 8.642 ( 4.804 -11.719 -6.530) 14.249 8.711 ( 4.028 15.001 9.192) 18.048 9.254 ( 4.624 -14.093 -6.561) 16.218 10.163 ( 5.498 -3.691 7.478) 9.989 11.266 ( 5.754 -1.256 3.090) 6.651 11.379 ( 1.633 11.887 -6.241) 13.524 12.007 ( -4.057 -21.681 7.062) 23.160 12.406 ( -17.002 3.046 -4.621) 17.880 13.359 ( -2.304 -5.731 2.032) 6.502 15.260 ( 11.476 13.406 2.427) 17.813 15.548 ( -2.289 0.300 -5.025) 5.530 16.281 ( 1.383 -7.761 -5.778) 9.774 16.550 ( 2.318 -3.316 -0.338) 4.059 ======================= Grid point 37 (30/172) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 1.877 -0.180 0.418) 1.931 1.867 ( -4.894 4.167 -0.143) 6.429 1.970 ( -11.396 -0.930 3.951) 12.097 2.454 ( 0.657 5.587 2.879) 6.319 2.526 ( -4.105 -2.543 -1.504) 5.058 2.765 ( 14.504 2.023 -1.442) 14.715 3.296 ( 5.297 -8.398 -7.175) 12.250 3.662 ( 11.882 -1.521 -0.042) 11.979 4.162 ( -0.209 1.749 0.977) 2.015 4.949 ( 0.945 0.796 4.167) 4.347 5.184 ( -4.348 3.642 -5.344) 7.793 5.339 ( -8.302 -6.728 2.339) 10.938 5.864 ( -0.237 -2.412 -10.620) 10.893 6.009 ( 8.385 -2.007 4.915) 9.924 7.171 ( 4.023 5.113 7.612) 10.014 7.553 ( -13.962 6.807 -3.761) 15.982 8.132 ( -4.974 -0.790 -8.367) 9.766 8.690 ( 13.524 -4.348 -10.653) 17.756 9.017 ( -2.367 8.002 28.095) 29.308 9.274 ( 17.584 0.866 -9.872) 20.184 10.263 ( 6.847 -5.886 1.512) 9.155 11.269 ( -2.991 -6.196 1.307) 7.003 11.446 ( -4.485 8.793 -2.224) 10.119 11.768 ( 0.081 -14.018 -3.778) 14.518 12.239 ( -3.573 1.288 0.615) 3.847 13.276 ( -2.485 -3.539 1.267) 4.506 15.428 ( -7.230 -0.299 -1.460) 7.382 15.546 ( 9.388 1.773 1.658) 9.696 16.258 ( 4.400 0.315 -3.635) 5.716 16.583 ( 4.035 -0.939 -0.519) 4.175 ======================= Grid point 38 (31/172) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -1.894 2.354 -1.285) 3.283 1.770 ( -13.082 -1.179 2.856) 13.442 1.822 ( 0.827 -0.644 -0.633) 1.225 2.323 ( -5.789 -6.755 -0.770) 8.930 2.658 ( 5.444 9.366 1.144) 10.893 3.051 ( 15.678 -3.183 -3.198) 16.314 3.289 ( 2.942 3.114 1.689) 4.605 3.867 ( 14.744 -3.283 0.978) 15.137 4.069 ( -12.862 2.749 -1.922) 13.293 4.922 ( -3.990 2.091 -1.070) 4.630 5.150 ( -6.998 -6.536 4.751) 10.689 5.235 ( 7.084 0.082 -3.616) 7.954 5.759 ( -2.577 -1.081 -3.991) 4.872 6.175 ( 5.515 1.181 8.856) 10.500 7.324 ( 7.762 3.086 -3.372) 9.008 7.351 ( -13.960 0.546 2.371) 14.171 7.956 ( -6.504 -5.092 -6.967) 10.805 8.742 ( 10.145 -12.922 -10.048) 19.258 9.284 ( 6.978 10.383 26.190) 29.025 9.628 ( 9.108 22.119 -1.418) 23.963 10.227 ( -1.437 -8.846 -10.455) 13.770 11.111 ( -6.268 -5.161 1.416) 8.242 11.388 ( -5.632 3.743 3.123) 7.449 11.781 ( 10.613 -3.466 -6.111) 12.727 12.265 ( 5.699 -1.297 -1.164) 5.960 13.251 ( 0.168 1.263 1.681) 2.109 15.229 ( -14.057 -4.327 4.306) 15.325 15.696 ( 9.755 -2.775 -3.212) 10.639 16.366 ( 5.453 4.653 1.155) 7.260 16.647 ( 4.168 0.551 -1.218) 4.377 ======================= Grid point 39 (32/172) ======================= q-point: (-0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -13.854 2.910 -1.508) 14.236 1.581 ( -12.477 2.877 4.262) 13.495 1.910 ( 11.911 -4.199 -1.454) 12.713 2.218 ( 1.410 -4.976 0.918) 5.252 2.817 ( 5.729 3.441 -2.283) 7.062 3.066 ( 4.713 -9.703 -10.031) 14.730 3.509 ( 0.285 9.997 7.164) 12.303 3.855 ( -10.773 5.950 3.738) 12.862 4.115 ( 15.997 0.242 0.263) 16.001 4.872 ( -6.686 3.555 -1.144) 7.658 5.039 ( 1.369 -6.780 2.972) 7.528 5.348 ( 8.467 -2.043 -2.015) 8.940 5.738 ( 1.672 2.074 0.844) 2.794 6.322 ( 6.532 -6.197 10.456) 13.798 7.105 ( -10.830 -14.262 9.578) 20.308 7.474 ( 8.712 7.512 -10.656) 15.681 7.746 ( -5.694 -2.578 -8.315) 10.402 8.689 ( 5.797 -12.552 -7.412) 15.687 9.779 ( 16.842 11.332 21.101) 29.280 9.889 ( -9.747 1.072 -5.321) 11.156 9.943 ( -2.547 16.769 -12.647) 21.157 11.017 ( -6.479 -3.489 10.512) 12.832 11.406 ( 0.126 4.176 -1.447) 4.421 11.852 ( 5.646 -2.394 -5.216) 8.051 12.379 ( 10.539 -0.589 -3.794) 11.216 13.339 ( 3.930 5.336 3.721) 7.600 14.939 ( -19.791 -3.373 5.512) 20.819 15.781 ( 9.531 -7.124 -6.088) 13.366 16.505 ( 3.733 1.586 4.499) 6.057 16.726 ( 4.503 4.185 -1.299) 6.284 ======================= Grid point 40 (33/172) ======================= q-point: (-0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -15.838 1.556 2.485) 16.107 1.415 ( -16.569 6.860 4.627) 18.521 2.065 ( 11.483 -4.302 -3.119) 12.653 2.284 ( 8.927 -2.643 2.182) 9.562 2.870 ( 2.438 -2.332 -4.885) 5.936 2.987 ( 1.797 -3.380 -7.918) 8.795 3.423 ( -11.370 2.986 0.785) 11.781 3.987 ( 2.697 9.683 9.642) 13.929 4.404 ( 12.955 3.999 1.869) 13.686 4.751 ( -7.084 1.212 1.690) 7.383 5.071 ( 4.856 -4.081 -3.987) 7.493 5.424 ( 5.697 -5.055 -1.819) 7.830 5.898 ( 11.916 0.768 4.210) 12.661 6.429 ( 14.019 -16.267 7.847) 22.863 6.890 ( -5.255 -11.417 11.402) 16.970 7.557 ( -1.497 -1.965 7.814) 8.195 7.729 ( 10.784 15.666 -25.191) 31.565 8.582 ( 1.632 -12.889 -7.359) 14.931 9.462 ( -12.011 -6.193 -24.620) 28.085 10.095 ( -2.721 20.439 -4.231) 21.048 10.367 ( 16.707 7.770 27.870) 33.410 10.917 ( -10.009 -7.084 11.647) 16.912 11.311 ( -8.039 -6.272 -5.779) 11.720 11.964 ( 7.547 9.028 0.844) 11.797 12.527 ( 9.251 2.762 -6.489) 11.632 13.490 ( 3.370 3.181 5.224) 6.983 14.593 ( -23.157 1.163 5.004) 23.720 15.782 ( 6.965 -9.229 -11.555) 16.346 16.567 ( 0.629 -0.471 3.540) 3.626 16.874 ( 6.323 5.031 2.253) 8.389 ======================= Grid point 42 (34/172) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -6.135 8.628 7.981) 13.258 1.418 ( -8.100 6.860 2.763) 10.968 2.127 ( 5.871 0.381 -1.005) 5.968 2.454 ( 5.162 -11.830 1.813) 13.034 2.569 ( 12.992 -1.692 -4.579) 13.879 2.997 ( 3.259 3.353 -4.437) 6.446 3.445 ( -13.858 9.857 -1.150) 17.045 4.100 ( -9.284 -7.430 2.214) 12.095 4.478 ( 0.743 -19.027 -2.395) 19.191 4.671 ( -8.594 11.003 -1.038) 14.000 5.147 ( 9.588 -0.380 2.261) 9.858 5.323 ( 7.016 -0.813 -2.024) 7.347 5.635 ( 8.258 -12.193 -2.127) 14.879 6.430 ( 6.173 -4.080 1.680) 7.588 7.473 ( 9.929 7.751 -4.333) 13.320 7.562 ( -2.678 -5.980 5.743) 8.713 7.891 ( 6.313 6.234 -18.615) 20.622 7.962 ( 3.176 -3.933 4.652) 6.870 9.257 ( 9.906 15.991 -2.147) 18.933 10.040 ( -19.272 -23.584 12.331) 32.858 10.491 ( -8.840 -2.061 -5.655) 10.694 10.827 ( -11.551 0.820 5.904) 12.998 11.208 ( 2.104 3.806 -1.018) 4.466 12.329 ( 9.983 -4.172 -1.080) 10.874 12.632 ( 9.825 -2.214 -2.508) 10.379 13.413 ( -8.128 -8.718 3.866) 12.530 14.662 ( -14.562 15.717 6.812) 22.483 15.447 ( 5.912 2.244 -15.874) 17.087 16.639 ( -1.186 0.721 1.233) 1.857 16.931 ( 2.428 -8.266 -1.509) 8.746 ======================= Grid point 43 (35/172) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -4.315 10.795 8.886) 14.633 1.455 ( -2.464 10.007 7.510) 12.752 2.187 ( 2.399 -0.908 -0.864) 2.707 2.349 ( -2.272 -10.874 -0.628) 11.126 2.778 ( 14.291 -3.594 -4.372) 15.371 3.054 ( 2.894 4.430 -4.552) 6.980 3.328 ( -7.016 6.036 -4.417) 10.255 3.774 ( -12.988 -13.992 -5.820) 19.958 4.290 ( -4.863 -11.944 2.051) 13.058 4.653 ( -4.918 8.000 2.172) 9.639 5.298 ( 10.022 -4.214 1.743) 11.011 5.422 ( 7.077 -1.339 -2.664) 7.680 5.697 ( 8.659 -3.398 -3.093) 9.803 6.364 ( -5.824 -15.442 -0.676) 16.518 7.253 ( -19.577 -3.842 5.643) 20.734 7.651 ( 7.180 14.847 -24.324) 29.388 7.774 ( 0.548 -3.775 2.037) 4.324 8.419 ( 24.710 -4.516 10.784) 27.336 9.441 ( -20.598 -16.553 5.640) 27.021 9.735 ( 17.941 8.414 4.807) 20.391 10.234 ( -11.541 -6.006 -12.278) 17.889 10.689 ( -12.568 7.782 4.759) 15.529 11.253 ( 0.239 5.601 -5.599) 7.923 12.395 ( 8.641 -12.458 -2.357) 15.344 12.775 ( 12.420 -7.288 2.237) 14.573 13.230 ( -7.112 -4.234 3.497) 8.986 14.661 ( -10.459 16.629 8.377) 21.357 15.472 ( 4.964 6.227 -16.287) 18.129 16.613 ( -2.379 0.315 -1.791) 2.995 16.821 ( -1.698 -13.671 -0.766) 13.797 ======================= Grid point 44 (36/172) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -0.840 8.254 7.729) 11.339 1.580 ( -2.769 11.926 11.039) 16.485 2.158 ( -3.161 -11.141 -0.339) 11.586 2.196 ( -3.539 -0.986 0.030) 3.674 2.862 ( 6.043 -7.936 -7.499) 12.479 3.130 ( 6.483 3.824 -7.071) 10.327 3.255 ( -5.768 5.224 -5.571) 9.571 3.404 ( -6.114 -14.106 -7.474) 17.094 4.114 ( -6.887 -9.123 5.463) 12.668 4.690 ( -1.737 7.047 4.154) 8.363 5.437 ( 7.945 1.043 -1.092) 8.087 5.489 ( 6.915 -4.540 -3.736) 9.077 5.767 ( 5.751 -5.776 -1.452) 8.279 5.973 ( -15.459 -17.385 -0.182) 23.264 7.026 ( -14.145 0.988 12.593) 18.964 7.696 ( 3.077 6.495 -16.795) 18.269 7.851 ( 9.978 -0.125 -4.789) 11.068 8.728 ( 14.818 -12.748 8.262) 21.221 8.965 ( -16.811 -16.351 6.984) 24.469 9.825 ( -13.938 -4.441 -20.745) 25.384 10.200 ( 12.949 7.983 2.656) 15.442 10.653 ( -5.407 13.607 6.823) 16.154 11.274 ( -0.217 9.190 -7.514) 11.872 12.333 ( 3.144 -20.194 1.254) 20.476 12.895 ( 7.974 -9.069 0.595) 12.091 13.195 ( 1.554 4.117 2.435) 5.029 14.751 ( -4.035 15.152 8.985) 18.072 15.506 ( 3.937 5.927 -13.870) 15.588 16.526 ( -4.502 -3.611 -5.250) 7.802 16.635 ( -2.728 -13.107 1.440) 13.465 ======================= Grid point 45 (37/172) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -0.492 2.536 3.324) 4.210 1.768 ( 0.084 13.929 10.251) 17.294 1.994 ( -1.821 -5.966 2.118) 6.587 2.158 ( -0.591 -2.215 1.810) 2.922 2.754 ( -0.879 -9.971 -5.505) 11.423 3.055 ( -10.142 -1.012 -9.560) 13.974 3.212 ( 7.466 -6.064 -8.636) 12.927 3.310 ( 2.193 2.658 -2.760) 4.415 3.981 ( -2.652 -7.184 5.923) 9.681 4.776 ( 0.303 5.826 4.050) 7.102 5.526 ( 6.992 -6.499 -2.734) 9.930 5.546 ( 0.360 4.821 -2.993) 5.686 5.639 ( -5.233 -7.760 2.409) 9.665 5.774 ( 3.212 -8.186 -2.481) 9.137 6.943 ( -5.385 -2.795 15.040) 16.218 7.667 ( 4.351 -1.455 -15.595) 16.256 8.002 ( 10.358 2.068 -5.645) 11.976 8.640 ( -5.801 -10.729 -3.882) 12.799 8.866 ( 2.623 -7.220 16.086) 17.826 9.425 ( -12.806 0.696 -21.958) 25.429 10.296 ( -7.903 4.317 9.428) 13.038 10.899 ( 11.761 8.647 2.406) 14.795 11.336 ( 0.712 13.773 -7.774) 15.832 12.141 ( -1.928 -24.644 5.659) 25.358 12.857 ( -3.998 -3.023 -2.942) 5.812 13.322 ( 4.838 1.827 1.983) 5.538 14.940 ( 4.025 12.532 5.970) 14.453 15.524 ( 2.327 3.171 -9.617) 10.391 16.331 ( -4.213 -10.662 -3.344) 11.942 16.533 ( -0.977 -4.369 -0.293) 4.486 ======================= Grid point 46 (38/172) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -1.347 0.512 0.989) 1.748 1.900 ( 1.258 6.701 0.992) 6.890 2.095 ( 5.386 1.839 2.943) 6.408 2.202 ( 7.143 2.046 5.858) 9.462 2.614 ( -2.422 -7.534 -1.596) 8.073 2.817 ( -11.546 0.677 -6.403) 13.220 3.164 ( 2.796 -6.752 -6.133) 9.541 3.380 ( 4.819 -0.110 -0.374) 4.835 4.004 ( 5.596 0.733 2.240) 6.072 4.853 ( 1.404 2.228 3.350) 4.261 5.424 ( -6.485 -3.721 -1.776) 7.685 5.574 ( -1.485 -3.236 1.536) 3.878 5.664 ( 7.807 0.971 -1.534) 8.015 5.743 ( 4.771 -3.002 -6.746) 8.791 7.021 ( 3.755 -1.195 17.332) 17.774 7.636 ( 8.044 -6.612 -10.640) 14.887 8.150 ( 10.004 4.696 -11.390) 15.870 8.438 ( -5.085 -4.824 -8.377) 10.923 8.998 ( 0.427 4.074 23.746) 24.097 9.124 ( -7.129 -0.215 -17.331) 18.741 10.265 ( -7.385 3.920 8.943) 12.242 11.122 ( 9.574 -2.037 -0.450) 9.798 11.454 ( 0.725 15.071 -4.397) 15.716 11.893 ( -3.734 -23.140 5.330) 24.038 12.678 ( -13.497 2.662 -3.722) 14.251 13.362 ( -0.895 -3.008 1.973) 3.707 15.174 ( 9.258 6.590 -1.077) 11.415 15.518 ( 0.892 -1.108 -3.103) 3.413 16.195 ( -0.384 -4.123 -1.137) 4.294 16.502 ( 0.803 -1.215 -0.319) 1.491 ======================= Grid point 47 (39/172) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -0.689 0.740 0.565) 1.158 1.959 ( -1.730 4.211 -2.297) 5.099 2.098 ( -3.401 -4.585 0.068) 5.709 2.478 ( 11.388 0.051 -3.190) 11.827 2.513 ( 0.008 -2.057 3.381) 3.957 2.646 ( -6.961 7.317 2.109) 10.317 3.153 ( 3.995 -0.600 -1.179) 4.209 3.473 ( 7.992 -4.386 3.309) 9.698 4.160 ( 6.210 7.076 -2.186) 9.665 4.921 ( 3.858 -1.550 2.782) 5.002 5.254 ( -7.214 -2.348 -4.952) 9.059 5.434 ( -8.658 -6.403 2.744) 11.113 5.740 ( 2.643 -4.003 -2.181) 5.270 5.889 ( 12.417 9.271 -3.842) 15.966 7.204 ( 1.601 -2.567 19.758) 19.988 7.662 ( 7.297 -2.967 -9.722) 12.513 8.215 ( -7.677 13.365 -16.689) 22.717 8.298 ( 9.156 -11.888 -5.534) 15.992 9.009 ( 6.183 1.123 -6.649) 9.148 9.292 ( 4.649 13.902 22.852) 27.150 10.230 ( -4.225 -0.705 3.002) 5.230 11.185 ( 4.559 -7.920 -1.807) 9.315 11.547 ( 2.385 -2.557 -0.170) 3.500 11.676 ( -7.478 -2.034 2.101) 8.029 12.450 ( -14.908 6.410 -1.992) 16.350 13.300 ( -2.566 -2.998 0.733) 4.013 15.332 ( 10.727 -2.340 -7.493) 13.292 15.478 ( -2.012 -5.796 2.898) 6.785 16.237 ( 2.744 6.434 2.523) 7.436 16.530 ( 2.455 1.075 0.300) 2.696 ======================= Grid point 49 (40/172) ======================= q-point: (-0.30 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 1.456 1.566 0.140) 2.143 1.873 ( -5.552 -2.723 -4.194) 7.472 1.933 ( -8.969 -2.589 -1.556) 9.464 2.396 ( -7.739 -1.195 3.470) 8.565 2.603 ( 7.507 -2.182 -5.602) 9.618 2.814 ( 6.549 4.214 2.891) 8.307 3.307 ( 7.175 10.610 7.377) 14.781 3.618 ( 11.964 -5.416 4.851) 14.000 4.249 ( -2.951 8.371 -5.487) 10.435 4.977 ( 2.137 -4.050 3.634) 5.846 5.100 ( -1.986 -0.110 -7.985) 8.229 5.245 ( -8.444 -6.807 4.290) 11.663 5.717 ( 0.786 -4.700 0.577) 4.800 6.166 ( 8.563 9.778 0.704) 13.016 7.246 ( -2.253 -10.825 17.000) 20.280 7.612 ( -6.537 3.579 -9.485) 12.063 8.017 ( -12.573 6.357 -12.011) 18.514 8.351 ( 13.937 -14.210 -4.822) 20.479 9.288 ( 16.412 14.273 2.394) 21.881 9.696 ( 10.768 14.900 11.595) 21.735 10.131 ( -3.780 -4.511 -4.608) 7.475 11.109 ( -0.895 -7.807 -1.294) 7.964 11.464 ( 1.199 -11.451 0.051) 11.514 11.698 ( -3.533 12.809 4.508) 14.031 12.311 ( -8.159 7.140 -0.740) 10.867 13.270 ( 0.365 1.756 -0.507) 1.864 15.364 ( -3.123 -11.125 6.148) 13.089 15.420 ( 8.606 -4.277 -8.907) 13.103 16.397 ( 2.495 9.210 5.611) 11.069 16.598 ( 3.107 2.563 0.005) 4.028 ======================= Grid point 50 (41/172) ======================= q-point: (-0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 3.517 -3.349 -0.460) 4.878 1.738 ( -11.331 5.266 -4.006) 13.121 1.766 ( -0.667 -3.759 0.148) 3.821 2.267 ( -8.633 -1.124 4.319) 9.718 2.646 ( 7.432 -8.403 -5.247) 12.385 2.899 ( 2.658 0.123 -2.519) 3.664 3.636 ( 6.192 12.980 10.426) 17.763 3.859 ( 16.138 0.189 6.940) 17.568 4.151 ( -12.245 9.308 -5.597) 16.368 4.950 ( -1.652 1.036 -0.165) 1.957 5.075 ( -8.736 -5.203 4.363) 11.065 5.130 ( 10.011 -3.651 -5.462) 11.974 5.695 ( 1.907 -6.453 2.917) 7.333 6.302 ( -0.935 -2.106 6.728) 7.112 7.203 ( -4.345 -13.113 17.768) 22.506 7.457 ( -5.682 10.624 -13.228) 17.892 7.797 ( -9.034 0.967 -7.806) 11.978 8.391 ( 10.091 -12.032 -6.399) 16.957 9.655 ( 4.228 -6.813 2.988) 8.556 9.898 ( 7.685 14.271 -17.365) 23.754 10.173 ( 2.827 17.820 10.494) 20.872 11.075 ( 1.948 -3.365 4.730) 6.123 11.391 ( 0.544 -7.370 -0.729) 7.426 11.814 ( 0.118 9.222 5.964) 10.983 12.294 ( -0.848 7.002 -2.646) 7.533 13.347 ( 3.865 6.257 0.300) 7.360 15.200 ( -11.149 -6.545 7.732) 15.064 15.464 ( 11.327 -10.266 -8.791) 17.635 16.542 ( 0.514 4.697 7.491) 8.857 16.686 ( 4.075 4.991 -1.496) 6.614 ======================= Grid point 51 (42/172) ======================= q-point: (-0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -11.165 -1.146 -0.004) 11.224 1.660 ( -5.073 0.823 -0.667) 5.182 1.835 ( 8.029 1.150 -0.369) 8.119 2.195 ( -0.376 -1.088 4.135) 4.292 2.624 ( 6.793 -12.380 -5.405) 15.120 2.915 ( 2.082 0.832 -4.193) 4.754 3.757 ( -11.534 8.994 4.092) 15.188 4.078 ( 0.114 6.289 0.104) 6.291 4.251 ( 15.566 8.769 10.243) 20.594 4.889 ( -7.715 -6.777 2.030) 10.468 4.978 ( -0.166 7.109 -4.556) 8.445 5.222 ( 9.158 -6.331 -4.047) 11.846 5.706 ( 7.039 -11.822 3.702) 14.248 6.238 ( -1.304 -9.511 6.804) 11.767 7.065 ( -11.072 -6.806 20.353) 24.148 7.542 ( 9.130 16.791 -21.797) 28.990 7.646 ( -4.683 -1.122 1.088) 4.937 8.362 ( 4.816 -11.243 -6.705) 13.948 9.382 ( -6.913 -10.559 -17.867) 21.876 10.185 ( 6.584 13.148 -1.709) 14.803 10.472 ( 4.559 14.988 11.575) 19.479 11.071 ( -5.948 -7.180 10.251) 13.857 11.318 ( -1.386 -3.729 -3.256) 5.141 11.964 ( 3.702 8.237 4.872) 10.261 12.380 ( 6.022 6.344 -5.252) 10.203 13.490 ( 4.154 4.931 1.946) 6.735 14.977 ( -16.594 -0.751 7.337) 18.160 15.473 ( 9.575 -11.002 -9.901) 17.628 16.603 ( -0.894 0.983 5.612) 5.767 16.814 ( 5.736 4.379 -0.789) 7.260 ======================= Grid point 54 (43/172) ======================= q-point: ( 0.10 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -2.347 5.976 3.214) 7.180 1.602 ( -5.212 5.435 1.913) 7.770 1.947 ( 9.171 -9.050 0.114) 12.885 2.315 ( 10.008 0.252 -2.106) 10.230 2.422 ( -2.730 4.327 1.236) 5.263 2.911 ( 2.572 -0.747 -1.339) 2.995 3.778 ( -13.533 6.194 -5.685) 15.932 4.186 ( -7.597 -5.588 -1.978) 9.636 4.237 ( 5.112 -18.033 1.603) 18.812 4.932 ( -10.215 10.126 -1.140) 14.429 4.974 ( 7.380 -3.306 1.366) 8.201 5.152 ( 7.676 -6.536 1.431) 10.183 5.549 ( -0.292 9.385 -3.214) 9.924 6.306 ( 7.188 1.813 -2.335) 7.772 7.344 ( 6.483 5.372 -25.588) 26.938 7.467 ( 5.822 -10.578 22.616) 25.637 7.723 ( 6.171 3.524 -2.557) 7.552 8.122 ( -9.642 4.750 3.825) 11.409 9.286 ( 6.115 13.760 6.138) 16.261 10.157 ( -10.935 -17.424 7.200) 21.795 10.552 ( -7.594 -9.873 -4.263) 13.165 11.049 ( -6.213 5.937 -1.674) 8.755 11.244 ( -2.419 3.541 1.065) 4.419 12.099 ( 6.044 -7.040 -6.218) 11.169 12.431 ( 5.506 -7.299 0.168) 9.144 13.470 ( -5.375 -6.683 1.465) 8.700 15.083 ( -11.809 12.466 6.886) 18.501 15.259 ( 8.199 2.676 -9.477) 12.814 16.657 ( 0.111 -0.312 -1.270) 1.312 16.810 ( 0.028 -6.601 -2.039) 6.909 ======================= Grid point 55 (44/172) ======================= q-point: ( 0.20 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -1.482 4.839 4.164) 6.553 1.633 ( -2.062 10.860 4.279) 11.853 2.017 ( 9.459 -10.958 1.654) 14.570 2.414 ( -5.956 5.670 3.634) 8.991 2.489 ( 12.339 -1.736 -4.769) 13.342 2.932 ( 3.657 -2.778 -3.860) 5.999 3.565 ( -12.863 5.814 -5.361) 15.100 3.772 ( -12.263 -16.456 -12.230) 23.891 4.292 ( 0.931 -8.077 10.574) 13.339 4.856 ( -8.347 8.187 0.991) 11.734 5.083 ( 9.090 -4.012 1.581) 10.061 5.239 ( 8.751 -0.967 -4.692) 9.976 5.633 ( 1.606 7.595 -2.961) 8.308 6.337 ( -2.870 -7.444 0.897) 8.029 7.328 ( 5.993 9.214 -25.282) 27.568 7.519 ( -0.320 -6.950 11.577) 13.507 7.994 ( 0.676 -1.791 8.806) 9.012 8.066 ( 7.391 8.935 3.957) 12.252 9.573 ( 0.251 9.062 -4.852) 10.282 9.733 ( -13.978 -18.913 17.658) 29.409 10.271 ( -8.437 -9.295 -8.646) 15.242 10.965 ( -7.690 6.719 0.809) 10.244 11.283 ( -0.877 7.426 -1.794) 7.690 12.071 ( 8.546 -13.356 -8.526) 18.003 12.484 ( 10.902 -10.388 0.636) 15.072 13.319 ( -5.621 -5.619 2.919) 8.467 15.060 ( -12.100 13.967 8.030) 20.148 15.356 ( 5.608 6.561 -10.492) 13.586 16.626 ( -1.154 -1.519 -3.985) 4.418 16.701 ( -1.007 -11.001 -1.469) 11.144 ======================= Grid point 56 (45/172) ======================= q-point: ( 0.30 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -0.330 0.898 2.431) 2.613 1.791 ( 0.550 13.689 7.048) 15.407 2.062 ( 4.263 -7.553 2.966) 9.166 2.352 ( -10.235 2.575 5.927) 12.105 2.612 ( 9.779 -4.258 -6.858) 12.681 2.920 ( 5.190 -6.632 -7.501) 11.278 3.348 ( -8.836 -13.523 -9.209) 18.595 3.422 ( -8.680 7.662 -6.227) 13.146 4.227 ( -7.370 -7.047 8.797) 13.467 4.832 ( -4.593 6.375 2.929) 8.386 5.221 ( 9.861 -2.653 -0.908) 10.252 5.365 ( 8.124 4.453 -4.649) 10.366 5.692 ( 1.579 1.481 -0.476) 2.217 6.077 ( -13.929 -14.783 3.144) 20.553 7.386 ( -0.081 13.750 -12.431) 18.536 7.462 ( -5.603 -3.440 -1.482) 6.740 7.956 ( -8.217 7.421 10.115) 14.996 8.372 ( 18.395 -12.511 7.800) 23.574 9.131 ( -18.068 -17.580 4.765) 25.656 9.772 ( -2.834 -5.399 -16.914) 17.980 10.139 ( 5.080 6.967 2.653) 9.021 10.947 ( -7.217 10.747 4.378) 13.666 11.330 ( -0.801 10.935 -4.582) 11.883 12.013 ( 8.334 -18.109 -5.943) 20.802 12.601 ( 14.101 -10.634 1.064) 17.693 13.250 ( -1.447 0.637 2.691) 3.121 15.060 ( -9.542 11.940 8.951) 17.712 15.430 ( 3.306 6.899 -8.969) 11.788 16.493 ( -3.585 -10.457 -5.988) 12.572 16.589 ( -2.106 -4.950 0.117) 5.381 ======================= Grid point 57 (46/172) ======================= q-point: ( 0.40 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.544 -0.318 0.588) 0.862 1.937 ( -1.954 5.564 3.350) 6.782 2.057 ( -1.725 0.672 4.415) 4.787 2.225 ( -9.077 -0.764 6.711) 11.315 2.617 ( 2.461 -5.513 -6.379) 8.783 2.913 ( 9.476 -7.835 -8.613) 15.012 3.112 ( -3.813 -3.328 -3.205) 5.991 3.354 ( -3.667 5.717 -4.326) 8.052 4.062 ( -8.697 -6.320 5.548) 12.098 4.852 ( -1.418 3.914 1.619) 4.467 5.343 ( 7.596 0.160 -1.025) 7.667 5.520 ( 6.030 6.772 -3.378) 9.677 5.700 ( -1.416 -3.461 -0.599) 3.787 5.738 ( -11.458 -10.328 6.540) 16.755 7.203 ( -16.232 -2.698 6.646) 17.746 7.448 ( 4.281 7.828 -20.167) 22.052 7.998 ( -3.275 1.739 13.525) 14.024 8.501 ( 7.381 -14.096 2.252) 16.070 8.897 ( -2.492 -1.708 9.546) 10.013 9.450 ( -7.816 -6.284 -20.671) 22.976 10.352 ( 7.984 2.135 0.881) 8.311 10.973 ( -5.522 9.830 4.089) 11.993 11.427 ( 0.590 17.080 -6.147) 18.162 11.908 ( 4.091 -20.931 0.224) 21.328 12.739 ( 10.479 -6.642 0.685) 12.426 13.305 ( 2.409 3.992 0.781) 4.728 15.090 ( -5.008 7.666 7.136) 11.608 15.476 ( 1.358 4.610 -5.686) 7.445 16.283 ( -4.189 -9.788 -3.301) 11.146 16.518 ( -1.565 -2.449 -0.722) 2.994 ======================= Grid point 58 (47/172) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -0.000 0.000 0.000) 0.000 1.910 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.929 ( -0.000 0.000 0.000) 0.000 3.070 ( 0.000 -0.000 -0.000) 0.000 3.339 ( -0.000 0.000 -0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 4.867 ( -0.000 0.000 0.000) 0.000 5.479 ( -0.000 -0.000 0.000) 0.000 5.498 ( 0.000 0.000 -0.000) 0.000 5.637 ( 0.000 0.000 -0.000) 0.000 5.668 ( -0.000 -0.000 0.000) 0.000 7.058 ( 0.000 0.000 -0.000) 0.000 7.447 ( -0.000 0.000 0.000) 0.000 8.028 ( -0.000 0.000 0.000) 0.000 8.476 ( -0.000 0.000 -0.000) 0.000 8.983 ( 0.000 0.000 0.000) 0.000 9.226 ( -0.000 0.000 -0.000) 0.000 10.429 ( -0.000 0.000 0.000) 0.000 10.991 ( 0.000 0.000 0.000) 0.000 11.534 ( -0.000 0.000 0.000) 0.000 11.806 ( -0.000 -0.000 0.000) 0.000 12.802 ( 0.000 0.000 0.000) 0.000 13.359 ( -0.000 0.000 0.000) 0.000 15.116 ( 0.000 0.000 0.000) 0.000 15.489 ( -0.000 0.000 -0.000) 0.000 16.178 ( -0.000 -0.000 0.000) 0.000 16.489 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 116 (48/172) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -0.000 0.000 22.421) 22.421 0.460 ( -0.000 0.000 22.421) 22.421 0.639 ( -0.000 0.000 29.887) 29.887 3.040 ( 0.000 -0.000 -3.347) 3.347 3.137 ( 0.000 -0.000 -7.550) 7.550 3.137 ( 0.000 -0.000 -7.550) 7.550 3.536 ( -0.000 0.000 6.057) 6.057 3.536 ( -0.000 0.000 6.057) 6.057 4.188 ( 0.000 -0.000 -3.602) 3.602 5.157 ( -0.000 0.000 0.792) 0.792 5.157 ( -0.000 0.000 0.792) 0.792 5.425 ( 0.000 -0.000 -10.701) 10.701 6.434 ( -0.000 0.000 5.975) 5.975 7.073 ( 0.000 -0.000 -17.533) 17.533 7.073 ( 0.000 -0.000 -17.533) 17.533 8.049 ( -0.000 0.000 12.357) 12.357 8.049 ( -0.000 0.000 12.357) 12.357 9.422 ( 0.000 0.000 -5.039) 5.039 9.422 ( 0.000 -0.000 -5.039) 5.039 9.459 ( 0.000 -0.000 -13.642) 13.642 10.284 ( -0.000 0.000 7.301) 7.301 10.284 ( -0.000 0.000 7.301) 7.301 12.537 ( -0.000 0.000 11.317) 11.317 12.595 ( 0.000 0.000 -3.695) 3.695 12.595 ( 0.000 -0.000 -3.695) 3.695 13.325 ( -0.000 0.000 2.345) 2.345 13.325 ( -0.000 0.000 2.345) 2.345 14.408 ( -0.000 0.000 2.062) 2.062 16.467 ( -0.000 0.000 1.680) 1.680 17.530 ( 0.000 -0.000 -2.796) 2.796 ======================= Grid point 117 (49/172) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 9.729 0.450 17.649) 20.159 0.750 ( 5.483 7.161 19.002) 21.034 1.171 ( 26.515 15.215 17.889) 35.420 2.913 ( -7.017 -3.097 -8.287) 11.292 3.034 ( 0.445 -8.701 -7.820) 11.707 3.141 ( -5.091 1.285 -3.018) 6.057 3.404 ( -3.961 -2.891 0.011) 4.904 3.852 ( 11.315 8.643 3.284) 14.612 4.184 ( 2.737 0.982 -3.782) 4.770 5.051 ( -6.193 1.198 -3.187) 7.067 5.149 ( -0.992 -7.102 -0.665) 7.202 5.439 ( 3.726 4.384 -5.895) 8.237 6.388 ( -4.317 -2.560 4.851) 6.980 7.030 ( 17.172 -19.023 -21.166) 33.238 7.372 ( 14.491 36.740 -27.855) 48.329 7.720 ( -29.162 -1.611 4.645) 29.574 8.157 ( -5.079 -10.574 17.225) 20.840 8.834 ( -27.476 -19.986 -5.949) 34.493 9.282 ( -0.904 -15.821 -5.489) 16.770 9.631 ( 11.418 2.307 1.343) 11.726 10.302 ( -7.210 22.835 2.152) 24.042 10.696 ( 22.669 2.733 2.734) 22.996 11.785 ( -43.791 1.850 13.838) 45.963 12.404 ( 5.610 -24.673 -3.164) 25.500 12.844 ( -1.329 -8.201 16.146) 18.158 13.391 ( 1.675 16.898 2.636) 17.185 13.511 ( 15.308 0.809 3.521) 15.729 15.099 ( 32.158 20.129 -29.078) 47.800 16.495 ( 1.624 0.727 1.646) 2.424 17.366 ( -9.287 -5.690 2.974) 11.290 ======================= Grid point 118 (50/172) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 9.070 4.447 13.678) 17.004 1.045 ( 9.262 6.962 11.939) 16.637 1.838 ( 22.439 11.113 7.227) 26.062 2.699 ( -3.444 -6.778 -6.458) 9.976 2.864 ( -5.557 -9.206 -1.637) 10.877 2.994 ( -10.383 1.297 -2.996) 10.885 3.321 ( -1.534 -2.718 -4.103) 5.155 4.074 ( 5.500 5.310 0.818) 7.689 4.266 ( 7.871 2.310 -2.450) 8.561 4.937 ( -8.670 7.595 -5.967) 12.979 5.051 ( 2.350 -13.826 0.855) 14.050 5.471 ( -1.756 3.022 -2.685) 4.407 6.308 ( -7.348 -1.731 3.620) 8.372 6.955 ( 6.105 -18.895 -22.923) 30.328 7.160 ( -27.568 3.369 1.838) 27.834 7.729 ( 6.513 31.786 -25.997) 41.577 8.000 ( -8.245 -21.479 17.498) 28.905 8.243 ( -15.188 -19.157 3.456) 24.690 9.088 ( -0.698 -13.481 -3.193) 13.872 9.887 ( 16.055 -0.791 1.832) 16.179 10.463 ( -3.812 26.241 0.855) 26.531 11.013 ( 11.260 1.199 0.390) 11.331 11.324 ( -30.252 9.482 11.681) 33.786 12.284 ( 11.217 -23.532 -5.171) 26.576 12.763 ( -5.593 -9.578 7.697) 13.501 13.539 ( -2.558 10.892 4.192) 11.948 13.943 ( 21.338 10.152 7.883) 24.910 15.366 ( 8.962 7.998 -23.689) 26.560 16.551 ( 2.896 0.677 0.487) 3.013 17.193 ( -6.953 -5.510 0.885) 8.915 ======================= Grid point 119 (51/172) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 7.913 4.330 10.410) 13.775 1.336 ( 8.777 8.055 4.944) 12.898 2.077 ( 0.859 -2.217 -1.866) 3.022 2.553 ( -6.055 -12.083 -1.227) 13.571 2.722 ( -11.867 2.298 -1.210) 12.148 2.860 ( 5.339 -2.777 -3.336) 6.881 3.304 ( 5.657 3.526 -2.190) 7.016 4.163 ( 3.069 0.931 -3.205) 4.535 4.459 ( 12.173 3.782 0.363) 12.752 4.811 ( -13.593 10.748 -4.774) 17.974 4.982 ( 5.901 -17.205 3.002) 18.435 5.392 ( -7.342 0.820 -2.497) 7.798 6.088 ( -23.735 3.756 1.932) 24.107 6.495 ( -13.444 -7.786 -11.864) 19.548 7.130 ( 8.616 -0.088 -3.615) 9.344 7.571 ( -0.157 -30.673 -9.653) 32.157 7.954 ( -12.944 8.043 11.016) 18.804 8.068 ( 1.301 8.647 -0.977) 8.799 8.981 ( 3.962 -10.212 -1.186) 11.018 10.138 ( 15.109 -3.994 -1.064) 15.664 10.680 ( -2.620 24.916 3.162) 25.252 11.045 ( -9.701 -2.352 2.732) 10.349 11.171 ( -3.589 10.466 5.877) 12.528 12.229 ( 7.968 -15.803 -4.374) 18.231 12.594 ( -5.693 -10.608 0.468) 12.048 13.589 ( -3.284 5.433 1.959) 6.643 14.462 ( 18.779 13.086 10.277) 25.090 15.336 ( -0.960 3.547 -16.608) 17.010 16.600 ( 2.884 -0.352 -1.329) 3.195 17.021 ( -5.925 -5.979 -3.229) 9.016 ======================= Grid point 120 (52/172) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 4.110 3.330 4.707) 7.081 1.551 ( 5.375 6.482 3.504) 9.121 2.002 ( -1.954 -7.179 1.211) 7.538 2.317 ( -6.486 -8.345 -1.937) 10.746 2.493 ( -11.530 1.444 -2.097) 11.808 2.886 ( 1.797 -2.520 -0.985) 3.248 3.563 ( 16.220 8.382 -5.344) 19.024 4.172 ( 3.947 -3.547 -6.793) 8.620 4.582 ( -16.688 2.735 -2.310) 17.068 4.747 ( 11.902 6.043 3.299) 13.750 4.948 ( 4.161 -10.481 -0.367) 11.283 5.245 ( -7.443 -1.597 1.377) 7.736 5.724 ( -23.717 8.587 1.738) 25.284 6.246 ( -2.640 -5.643 -9.106) 11.033 7.065 ( -1.590 -12.312 -21.593) 24.907 7.481 ( 12.699 -8.219 11.236) 18.844 7.864 ( -8.324 4.849 5.824) 11.256 8.200 ( -2.869 10.618 7.892) 13.537 9.016 ( 11.044 -8.330 0.934) 13.865 10.274 ( 7.519 -5.155 -2.939) 9.579 10.785 ( -10.159 8.453 4.895) 14.094 10.986 ( 1.868 4.791 -2.806) 5.858 11.251 ( -0.520 6.394 1.384) 6.563 12.165 ( -3.248 -3.149 0.075) 4.525 12.420 ( 1.158 -10.294 -3.530) 10.944 13.569 ( -2.681 0.631 -0.771) 2.860 14.944 ( 14.910 11.769 9.999) 21.466 15.216 ( -4.991 1.407 -9.096) 10.471 16.609 ( 1.644 -2.161 -5.404) 6.047 16.861 ( -2.906 -3.445 -4.188) 6.152 ======================= Grid point 121 (53/172) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -3.226 -1.608 2.644) 4.470 1.657 ( 0.050 -2.334 3.125) 3.901 1.911 ( -2.512 0.601 0.366) 2.609 2.181 ( -2.967 0.869 -4.032) 5.080 2.444 ( 6.859 -0.310 2.380) 7.267 2.932 ( 3.485 2.398 3.320) 5.377 3.799 ( 5.317 5.225 -8.784) 11.521 4.103 ( -1.904 -10.815 -6.054) 12.539 4.321 ( -6.601 5.588 -9.067) 12.531 4.843 ( -3.793 -4.166 -1.607) 5.859 5.050 ( 7.908 7.638 3.189) 11.447 5.196 ( 2.606 -5.044 7.740) 9.599 5.545 ( -5.531 4.547 1.944) 7.419 6.148 ( -1.159 3.507 -7.252) 8.138 6.796 ( 1.309 -8.087 -21.371) 22.887 7.608 ( 1.209 -4.189 0.615) 4.403 7.979 ( 0.541 16.393 18.132) 24.450 8.269 ( -1.656 -0.237 9.743) 9.886 9.193 ( 15.051 -6.655 6.634) 17.744 10.253 ( 0.452 -5.554 -6.137) 8.290 10.704 ( -4.664 0.576 -0.545) 4.731 10.921 ( -9.057 -1.895 -9.672) 13.386 11.288 ( 0.422 -1.125 1.105) 1.633 12.089 ( -4.389 4.791 -1.620) 6.697 12.451 ( 6.775 1.867 2.882) 7.596 13.514 ( -0.723 -2.506 -3.398) 4.284 15.001 ( -10.651 -3.251 -4.567) 12.036 15.375 ( 11.716 8.951 11.345) 18.604 16.542 ( 0.805 -2.440 -9.653) 9.990 16.833 ( 2.434 1.267 -2.782) 3.908 ======================= Grid point 122 (54/172) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -13.205 -9.396 0.581) 16.217 1.514 ( -10.692 -9.016 -1.372) 14.053 2.024 ( 7.654 8.865 1.753) 11.843 2.210 ( 5.417 7.082 -4.614) 10.039 2.691 ( 15.899 -0.696 5.589) 16.867 3.062 ( 1.387 4.632 6.701) 8.263 3.565 ( -18.364 -7.882 -2.708) 20.167 3.977 ( 2.360 -2.994 -12.645) 13.208 4.384 ( 9.147 9.936 -13.126) 18.833 4.711 ( -5.538 -4.830 0.063) 7.349 5.188 ( -2.534 6.900 7.814) 10.728 5.333 ( 9.043 -0.949 5.470) 10.611 5.673 ( 17.364 -1.818 0.379) 17.463 6.182 ( 3.773 9.629 -6.753) 12.351 6.694 ( 4.089 4.944 -17.066) 18.232 7.565 ( -2.344 1.398 -0.329) 2.750 8.208 ( -10.540 7.847 20.539) 24.383 8.371 ( 12.182 1.976 5.987) 13.717 9.440 ( 9.720 -7.160 17.515) 21.273 10.149 ( 4.420 -2.460 -18.206) 18.896 10.568 ( -19.899 0.139 -6.197) 20.843 10.640 ( 2.896 -9.720 -8.478) 13.219 11.256 ( -1.266 -6.767 5.040) 8.532 12.090 ( -0.852 7.638 -5.734) 9.589 12.651 ( 4.466 8.749 7.342) 12.264 13.456 ( 1.039 -4.097 -5.145) 6.659 14.688 ( -17.359 -7.797 -1.164) 19.066 15.710 ( 10.132 6.512 11.442) 16.613 16.502 ( 2.956 0.283 -7.556) 8.119 16.877 ( 3.007 1.980 -5.438) 6.522 ======================= Grid point 123 (55/172) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -14.641 -11.341 -0.958) 18.545 1.169 ( -16.873 -8.948 -1.531) 19.160 2.173 ( -5.524 -2.367 2.314) 6.440 2.413 ( 12.730 10.354 -4.311) 16.966 2.864 ( -1.028 -6.160 3.332) 7.078 3.055 ( 2.558 -0.618 4.156) 4.919 3.433 ( 2.853 6.297 5.530) 8.853 3.878 ( -0.396 -1.951 -13.985) 14.126 4.526 ( -3.020 2.313 -0.648) 3.859 4.601 ( 8.112 1.004 -11.915) 14.449 5.250 ( -3.086 2.493 10.109) 10.860 5.496 ( 5.745 1.842 3.571) 7.010 5.993 ( 16.780 0.177 0.025) 16.781 6.420 ( 23.538 5.512 -9.214) 25.871 6.785 ( 5.267 17.551 -12.942) 22.434 7.610 ( 0.417 12.420 3.483) 12.906 8.204 ( -0.406 -8.006 13.582) 15.771 8.643 ( 4.977 10.884 6.329) 13.539 9.466 ( -8.501 -10.634 8.599) 16.103 10.185 ( -12.661 -12.990 -1.049) 18.170 10.249 ( 19.379 10.133 -20.028) 29.654 10.551 ( -1.692 -3.270 -3.814) 5.301 11.201 ( -2.587 -7.084 6.511) 9.964 12.110 ( 0.508 5.581 -5.548) 7.886 12.816 ( -0.524 6.028 8.263) 10.242 13.398 ( 0.715 -3.605 -5.573) 6.676 14.276 ( -20.473 -9.890 1.164) 22.767 16.002 ( 9.168 5.694 8.797) 13.924 16.539 ( 3.735 1.508 -0.840) 4.115 16.861 ( -0.248 -0.296 -10.661) 10.668 ======================= Grid point 124 (56/172) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -12.614 -12.231 2.759) 17.786 0.800 ( -17.782 -7.116 4.406) 19.654 1.720 ( -31.515 -18.688 3.225) 36.781 2.711 ( 13.725 8.877 -5.146) 17.136 2.915 ( 7.111 2.232 0.972) 7.516 3.201 ( 8.215 0.653 4.560) 9.418 3.596 ( 1.180 5.292 6.897) 8.773 3.743 ( -1.753 -2.811 -13.188) 13.598 4.384 ( -6.901 -3.986 -0.879) 8.018 4.777 ( 12.224 7.068 -10.521) 17.609 5.264 ( -3.194 -1.303 8.232) 8.926 5.580 ( 0.191 0.753 0.692) 1.041 6.205 ( 6.880 4.519 -0.242) 8.235 6.821 ( 26.712 -5.442 -12.499) 29.990 7.041 ( 11.869 22.031 -7.196) 26.039 7.890 ( 4.307 19.273 9.292) 21.825 8.312 ( 15.680 -4.106 9.429) 18.752 8.751 ( -7.646 4.067 -3.347) 9.285 9.230 ( -1.201 -4.047 -11.870) 12.599 9.866 ( -9.372 -14.213 0.357) 17.028 10.413 ( -8.427 6.291 -2.308) 10.767 10.706 ( 22.352 11.762 1.022) 25.278 11.058 ( -9.901 -10.491 2.186) 14.590 12.181 ( 6.015 1.576 3.659) 7.215 12.854 ( -3.927 -1.587 8.034) 9.082 13.332 ( -1.903 -0.211 -5.173) 5.515 13.854 ( -18.948 -10.359 3.183) 21.828 16.192 ( 4.340 3.331 -10.003) 11.401 16.622 ( -1.849 -1.310 -5.080) 5.562 16.763 ( 3.232 1.124 5.868) 6.792 ======================= Grid point 127 (57/172) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -2.900 4.624 21.273) 21.962 0.911 ( 2.033 9.592 19.081) 21.453 1.278 ( -0.119 25.781 16.259) 30.480 2.814 ( -1.010 -12.677 -7.958) 15.002 2.938 ( -1.548 -2.868 -5.935) 6.771 3.230 ( -1.181 9.004 -11.918) 14.984 3.460 ( -0.273 -7.404 3.944) 8.393 3.763 ( 2.386 2.849 4.418) 5.773 4.175 ( -0.679 4.902 -2.647) 5.612 4.901 ( 1.380 -16.253 -3.339) 16.650 5.288 ( -7.204 5.215 -2.602) 9.266 5.386 ( 6.184 8.759 -3.953) 11.427 6.419 ( -0.437 -7.181 5.265) 8.915 6.690 ( -11.643 -8.648 -14.385) 20.428 7.321 ( 11.665 29.499 -24.580) 40.130 7.693 ( 10.330 -31.326 4.347) 33.271 8.296 ( -0.877 0.551 -2.172) 2.406 9.075 ( -10.651 -10.322 0.595) 14.844 9.156 ( -9.182 -9.169 1.758) 13.095 9.570 ( -3.220 5.165 -0.800) 6.139 10.315 ( 21.691 2.491 1.900) 21.916 10.698 ( -8.527 17.756 2.601) 19.868 11.586 ( 12.909 -51.336 1.590) 52.958 12.655 ( -13.687 0.993 4.049) 14.308 12.985 ( -9.920 2.441 14.522) 17.755 13.273 ( 12.442 -1.949 2.117) 12.770 13.596 ( -1.282 19.874 4.890) 20.507 14.962 ( 1.435 36.563 -21.163) 42.271 16.501 ( -0.198 0.557 1.820) 1.914 17.343 ( -0.386 -13.024 0.167) 13.031 ======================= Grid point 128 (58/172) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 4.588 9.194 16.417) 19.368 1.132 ( 1.535 7.083 15.958) 17.527 1.737 ( 13.108 19.682 8.656) 25.182 2.591 ( -2.359 -13.463 -7.417) 15.551 2.845 ( -2.495 -2.986 -5.320) 6.591 3.140 ( -7.442 1.615 -6.263) 9.860 3.327 ( -4.927 -5.090 -0.008) 7.084 3.922 ( 10.192 -4.265 -0.699) 11.071 4.230 ( 2.060 7.035 -1.355) 7.455 4.773 ( 4.298 -16.679 0.556) 17.233 5.187 ( -7.798 9.590 -7.486) 14.450 5.518 ( 0.486 6.627 -0.824) 6.696 6.269 ( -1.295 -13.621 -7.385) 15.548 6.574 ( 6.753 -5.391 -0.798) 8.678 7.476 ( -0.463 -23.685 3.868) 24.004 7.613 ( 6.641 11.059 -22.856) 26.245 8.149 ( -17.085 7.372 -7.681) 20.131 8.489 ( -22.879 -5.305 -2.791) 23.652 9.067 ( -7.749 -10.461 16.378) 20.921 9.643 ( 9.178 -2.613 -0.085) 9.544 10.671 ( 8.143 12.302 -8.368) 16.961 10.835 ( 6.870 8.195 5.544) 12.045 11.363 ( 15.702 -42.428 -0.361) 45.242 12.322 ( -26.781 9.650 4.522) 28.824 12.866 ( -9.188 -8.306 9.848) 15.823 13.525 ( 11.200 -2.284 1.194) 11.492 13.929 ( 8.541 25.335 10.786) 28.830 15.216 ( 7.366 21.458 -21.383) 31.176 16.521 ( 1.198 -0.396 0.724) 1.455 17.174 ( -2.975 -13.871 -0.948) 14.218 ======================= Grid point 129 (59/172) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 3.363 8.183 9.730) 13.151 1.357 ( 5.509 9.209 10.003) 14.670 2.053 ( 2.586 4.507 -0.108) 5.197 2.462 ( 4.340 -9.799 0.237) 10.720 2.728 ( -1.615 -1.687 -5.916) 6.360 2.936 ( -11.417 -3.746 -2.080) 12.195 3.265 ( 1.157 2.320 -3.333) 4.223 3.973 ( 7.513 -9.753 -7.174) 14.249 4.363 ( 7.047 3.813 2.369) 8.355 4.739 ( 5.864 -12.418 5.071) 14.639 5.097 ( -10.383 11.004 -6.253) 16.370 5.512 ( -5.426 3.957 -2.230) 7.076 6.080 ( 3.257 -14.308 -12.061) 18.995 6.648 ( -1.669 1.162 2.603) 3.304 7.181 ( -1.122 -31.350 -1.100) 31.390 7.390 ( -23.762 12.138 -6.819) 27.540 8.062 ( 0.901 6.084 -3.371) 7.014 8.238 ( -7.072 7.587 -6.818) 12.412 8.969 ( -6.410 -7.662 16.049) 18.904 9.795 ( 14.961 -7.407 -2.400) 16.866 10.810 ( 7.390 1.809 -6.020) 9.702 10.965 ( 2.589 -2.392 0.715) 3.596 11.327 ( 10.062 -14.195 2.040) 17.519 12.100 ( -12.957 9.864 2.928) 16.546 12.658 ( -10.620 -11.083 5.206) 16.208 13.605 ( 2.709 -3.903 -0.376) 4.766 14.444 ( 13.648 22.676 11.549) 28.877 15.311 ( 0.677 12.624 -16.675) 20.926 16.535 ( 1.903 -2.067 -1.604) 3.236 16.973 ( -3.000 -13.215 -3.956) 14.117 ======================= Grid point 130 (60/172) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 4.113 5.733 4.783) 8.524 1.586 ( 4.005 9.236 5.773) 11.605 2.009 ( -4.549 -2.976 1.246) 5.576 2.347 ( -6.995 -6.398 -1.706) 9.632 2.687 ( -11.671 -2.215 -2.326) 12.105 2.775 ( 7.562 -2.457 -0.959) 8.009 3.381 ( 9.915 8.153 -5.264) 13.874 3.920 ( 7.404 -12.144 -11.394) 18.225 4.528 ( 9.171 -9.573 4.946) 14.150 4.803 ( 5.904 -0.436 5.914) 8.368 4.941 ( -14.294 8.856 -4.395) 17.380 5.410 ( -8.955 2.600 -0.250) 9.328 5.938 ( 1.374 -7.917 -11.900) 14.358 6.450 ( -22.867 10.938 -3.951) 25.654 6.831 ( -2.819 -22.015 -7.698) 23.492 7.374 ( 3.560 8.550 7.709) 12.050 8.028 ( -5.142 1.696 5.077) 7.422 8.322 ( 6.769 12.256 -9.193) 16.750 8.919 ( -4.133 -6.985 17.019) 18.855 9.940 ( 15.587 -11.584 -5.506) 20.186 10.805 ( 5.378 -19.337 -0.553) 20.078 11.047 ( 1.627 14.195 -4.260) 14.910 11.346 ( -1.565 0.143 0.094) 1.574 12.109 ( 3.209 3.967 1.283) 5.261 12.375 ( -10.876 -12.769 2.036) 16.896 13.558 ( -0.961 -6.631 -1.383) 6.842 14.940 ( 12.033 18.452 9.136) 23.848 15.299 ( -3.846 9.852 -8.426) 13.522 16.507 ( 1.218 -4.907 -6.007) 7.851 16.792 ( -0.476 -8.977 -5.165) 10.368 ======================= Grid point 131 (61/172) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 1.113 4.907 0.822) 5.099 1.710 ( -3.934 0.694 6.298) 7.458 1.906 ( -1.870 -5.002 3.322) 6.289 2.227 ( -1.851 3.717 -1.894) 4.564 2.482 ( -8.916 0.064 -1.785) 9.093 2.883 ( 7.136 1.598 2.150) 7.622 3.625 ( 13.124 7.368 -8.767) 17.418 3.845 ( 7.466 -12.508 -12.788) 19.384 4.430 ( -7.966 -12.261 -1.518) 14.700 4.827 ( -2.173 1.965 0.164) 2.934 5.019 ( 7.811 7.943 5.866) 12.590 5.273 ( -9.240 0.154 3.390) 9.844 5.760 ( -9.076 -1.528 -6.593) 11.321 6.243 ( -7.911 8.626 -6.244) 13.266 6.621 ( -1.661 -0.076 -8.806) 8.962 7.535 ( 4.477 -1.204 3.290) 5.685 8.094 ( 1.541 7.747 6.298) 10.102 8.486 ( 1.446 10.768 2.718) 11.199 8.963 ( 6.040 -6.040 14.880) 17.158 9.989 ( 10.962 -16.258 -7.487) 20.989 10.662 ( -2.331 -11.686 -4.569) 12.763 11.111 ( -7.330 8.045 -5.313) 12.111 11.295 ( -1.915 0.261 -1.048) 2.198 12.114 ( -0.321 -11.342 -4.523) 12.215 12.301 ( 8.971 3.328 6.346) 11.482 13.449 ( -1.190 -8.058 -2.456) 8.508 15.160 ( -7.212 6.272 -2.990) 10.014 15.410 ( 6.645 13.669 10.041) 18.216 16.410 ( 1.670 -4.971 -10.594) 11.821 16.738 ( 4.008 -3.012 -4.438) 6.696 ======================= Grid point 132 (62/172) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -15.630 -1.936 5.000) 16.524 1.571 ( -5.776 -6.343 -0.335) 8.585 1.958 ( 7.664 2.199 0.761) 8.009 2.237 ( -4.001 7.503 -4.255) 9.509 2.502 ( 10.214 3.280 3.599) 11.315 3.086 ( 7.493 6.929 5.844) 11.761 3.687 ( 0.792 -16.423 -11.860) 20.274 3.772 ( -0.453 3.911 -8.671) 9.523 4.214 ( 1.625 -1.852 -8.368) 8.723 4.809 ( -4.234 0.395 -0.317) 4.264 5.196 ( 3.430 -1.991 5.562) 6.831 5.264 ( 4.852 5.099 5.628) 9.012 5.606 ( -4.074 1.605 -0.652) 4.427 6.212 ( 0.004 4.516 -3.467) 5.694 6.651 ( 1.128 18.643 -11.408) 21.886 7.591 ( 1.928 0.254 3.308) 3.837 8.160 ( 1.510 -9.679 2.530) 10.117 8.656 ( -2.606 18.666 10.506) 21.578 9.239 ( 17.638 -0.210 14.175) 22.629 9.891 ( 4.864 -18.428 -9.442) 21.270 10.400 ( -7.598 -11.138 -17.866) 22.383 10.939 ( -13.540 5.018 0.620) 14.454 11.274 ( -1.969 -1.896 4.066) 4.900 12.048 ( 3.779 -1.922 -8.220) 9.249 12.566 ( 14.028 -0.184 4.957) 14.879 13.351 ( 0.647 -6.797 -2.083) 7.138 14.968 ( -17.769 0.663 1.590) 17.852 15.717 ( 7.632 9.632 8.685) 15.048 16.377 ( 5.256 0.679 -8.985) 10.431 16.765 ( 4.890 -1.499 -6.221) 8.054 ======================= Grid point 133 (63/172) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -20.434 -2.146 4.006) 20.933 1.341 ( -13.065 -7.011 0.518) 14.836 2.169 ( 9.645 3.367 -0.038) 10.216 2.276 ( 5.609 5.528 -5.129) 9.398 2.744 ( 9.605 0.641 2.657) 9.986 3.183 ( -11.001 -2.646 2.702) 11.633 3.495 ( 3.126 4.269 1.599) 5.527 3.694 ( 1.633 -5.767 -11.445) 12.919 4.316 ( 13.445 4.094 -12.912) 19.085 4.680 ( -9.568 -0.056 -0.541) 9.583 5.327 ( 5.937 -5.796 8.399) 11.806 5.424 ( 6.113 5.067 3.986) 8.884 5.685 ( 11.001 2.341 2.245) 11.469 6.291 ( 4.091 8.145 -1.534) 9.243 6.811 ( 3.122 22.795 -13.524) 26.688 7.682 ( 4.748 2.310 5.111) 7.348 8.056 ( 1.881 -16.799 3.249) 17.213 8.848 ( -1.908 13.986 5.481) 15.142 9.586 ( -5.043 -3.342 6.847) 9.136 9.782 ( 19.369 -8.800 -2.493) 21.420 10.017 ( -1.637 -8.455 -24.125) 25.617 10.816 ( -12.278 7.780 7.022) 16.143 11.254 ( -2.807 -0.946 5.359) 6.123 12.041 ( 3.761 -0.771 -9.349) 10.107 12.768 ( 9.329 -6.439 2.086) 11.526 13.336 ( 2.739 -0.710 0.961) 2.988 14.622 ( -23.871 -2.428 3.858) 24.303 15.961 ( 7.661 4.958 2.698) 9.515 16.474 ( 6.670 5.215 -1.249) 8.558 16.757 ( 2.078 -2.223 -9.244) 9.732 ======================= Grid point 134 (64/172) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -20.241 2.068 7.391) 21.648 1.050 ( -15.394 -5.684 5.241) 17.226 2.087 ( -19.710 -5.127 -0.315) 20.368 2.489 ( 15.049 4.363 -6.176) 16.842 2.818 ( 3.885 -2.086 1.417) 4.631 3.099 ( 4.268 0.554 1.709) 4.630 3.570 ( 1.480 -8.457 -12.275) 14.980 3.714 ( 4.105 11.625 6.363) 13.874 4.459 ( -1.224 -0.479 -6.645) 6.773 4.574 ( 6.407 6.590 -5.372) 10.646 5.340 ( -1.883 -5.721 6.235) 8.669 5.571 ( 2.862 0.109 1.950) 3.465 6.024 ( 19.319 3.516 3.808) 20.002 6.470 ( 9.311 9.786 -3.717) 14.010 7.018 ( 8.059 19.709 -11.253) 24.084 7.894 ( 12.264 -0.983 4.799) 13.206 8.001 ( 11.046 -16.037 6.883) 20.654 8.878 ( -5.080 -3.402 -3.105) 6.857 9.247 ( -14.541 1.397 -23.442) 27.621 9.707 ( 0.293 -11.759 -3.568) 12.292 10.416 ( 27.475 15.994 7.839) 32.744 10.753 ( -11.657 8.088 11.063) 17.991 11.182 ( -8.764 0.787 -2.799) 9.234 12.063 ( 6.956 -4.634 0.557) 8.377 12.783 ( 3.544 -12.102 0.156) 12.611 13.416 ( 0.364 6.510 2.877) 7.127 14.194 ( -26.027 -4.171 4.928) 26.816 16.057 ( 3.445 -1.954 -12.226) 12.851 16.599 ( -0.885 -1.903 -3.233) 3.855 16.757 ( 7.059 8.083 3.448) 11.271 ======================= Grid point 137 (65/172) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -4.870 4.512 17.305) 18.535 1.114 ( -0.135 11.269 15.371) 19.059 1.759 ( -14.243 21.516 7.504) 26.872 2.655 ( 0.042 -10.163 -6.628) 12.134 2.880 ( 0.304 -1.772 -7.702) 7.910 3.135 ( 11.138 0.895 -4.356) 11.993 3.348 ( 4.421 -3.286 -0.773) 5.562 3.872 ( -10.723 -5.209 -0.455) 11.929 4.258 ( -3.295 7.069 -1.140) 7.882 4.720 ( -1.070 -14.583 -3.311) 14.993 5.348 ( 7.557 11.168 -1.677) 13.588 5.389 ( -2.377 1.159 -2.137) 3.400 6.327 ( 4.848 -11.774 3.542) 13.217 6.878 ( -23.901 -16.594 -15.799) 33.109 7.125 ( 11.025 -16.904 -7.814) 21.641 7.246 ( 9.606 17.302 -15.242) 24.979 8.159 ( 5.819 -11.087 1.224) 12.581 8.905 ( 27.366 4.822 12.691) 30.549 9.292 ( -2.327 3.063 -0.467) 3.875 9.838 ( -15.389 11.378 -3.783) 19.509 10.086 ( 0.907 -11.328 8.163) 13.992 10.975 ( -5.317 1.938 2.224) 6.081 11.023 ( -1.385 -31.474 -4.539) 31.830 12.668 ( 10.470 6.063 0.321) 12.103 13.037 ( 13.781 -0.445 7.895) 15.888 13.285 ( -13.094 -8.350 4.388) 16.138 13.939 ( -9.001 21.489 8.982) 24.969 15.163 ( -5.821 19.114 -22.020) 29.734 16.536 ( -1.917 0.949 0.671) 2.242 17.202 ( 1.915 -11.925 -0.345) 12.083 ======================= Grid point 138 (66/172) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.617 7.849 18.417) 20.029 1.317 ( -1.252 6.974 16.569) 18.020 1.881 ( -0.796 20.731 1.641) 20.811 2.455 ( -3.209 -13.226 -6.887) 15.253 2.824 ( -1.251 1.651 -7.335) 7.622 3.164 ( -0.209 -0.303 -8.449) 8.457 3.342 ( -2.353 -8.337 1.528) 8.796 3.725 ( 3.198 -7.893 -2.199) 8.795 4.259 ( -0.454 1.513 -1.316) 2.056 4.607 ( 1.275 -8.296 3.980) 9.289 5.308 ( -3.663 6.568 -7.931) 10.929 5.561 ( 3.167 7.462 0.550) 8.125 6.193 ( -11.713 -15.390 -4.957) 19.966 6.424 ( 4.711 -12.983 -1.480) 13.890 7.109 ( 8.424 -21.264 2.015) 22.960 7.481 ( 10.250 17.204 -19.264) 27.788 8.144 ( 5.050 -4.637 -8.472) 10.898 8.956 ( -29.822 -3.395 5.506) 30.516 9.235 ( 2.449 -6.426 14.028) 15.623 9.601 ( -11.216 -0.961 -2.254) 11.481 10.386 ( 20.949 1.889 -2.520) 21.184 10.725 ( 10.418 -29.767 -0.849) 31.549 10.972 ( -3.387 11.028 -2.861) 11.886 12.700 ( -7.500 -3.061 2.786) 8.567 13.035 ( -12.224 -6.646 5.333) 14.901 13.293 ( 13.288 -1.749 3.004) 13.735 14.168 ( 1.161 23.545 11.304) 26.144 15.208 ( 2.706 20.317 -20.118) 28.720 16.515 ( -0.956 -0.983 0.096) 1.375 17.055 ( -1.813 -15.949 -0.995) 16.083 ======================= Grid point 139 (67/172) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -1.483 9.237 12.412) 15.543 1.443 ( 2.512 7.016 11.512) 13.714 2.074 ( 2.598 8.598 0.228) 8.985 2.278 ( 3.405 -10.820 -1.325) 11.420 2.741 ( -4.605 2.908 -10.414) 11.753 3.036 ( -8.182 -8.487 0.778) 11.815 3.240 ( 0.811 1.021 -5.079) 5.244 3.691 ( 6.234 -12.597 -7.561) 15.959 4.271 ( 4.359 -6.278 3.433) 8.379 4.650 ( 2.866 -0.060 7.941) 8.443 5.280 ( -4.124 10.982 -8.477) 14.473 5.604 ( -2.801 3.774 -3.288) 5.735 5.861 ( -3.586 -13.338 -6.329) 15.193 6.444 ( 12.362 -20.022 -2.138) 23.628 7.034 ( -1.792 -9.977 9.849) 14.133 7.623 ( 3.321 9.290 -12.819) 16.176 8.110 ( 0.990 4.111 -17.243) 17.754 8.499 ( -26.727 6.314 4.986) 27.912 9.138 ( -6.717 -13.987 14.454) 21.206 9.522 ( 5.296 -9.003 0.083) 10.446 10.430 ( 9.292 -23.662 0.418) 25.424 10.910 ( 12.663 7.550 -7.115) 16.370 11.072 ( 7.550 6.438 0.974) 9.970 12.501 ( -15.511 1.634 3.378) 15.958 12.779 ( -12.713 -11.525 4.470) 17.732 13.463 ( 8.040 -3.282 -0.453) 8.696 14.552 ( 8.731 21.405 10.140) 25.244 15.308 ( 2.719 15.085 -16.063) 22.203 16.482 ( -0.128 -3.553 -1.110) 3.725 16.845 ( -2.382 -15.937 -2.866) 16.367 ======================= Grid point 140 (68/172) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -0.575 4.021 5.877) 7.145 1.660 ( 3.089 10.084 6.024) 12.146 2.080 ( -2.917 1.285 0.326) 3.204 2.362 ( 3.571 -3.735 4.391) 6.781 2.632 ( 0.802 0.230 -6.231) 6.287 2.794 ( -8.570 -8.189 -0.583) 11.868 3.301 ( 4.969 7.020 -6.511) 10.788 3.595 ( 6.144 -13.728 -10.761) 18.494 4.318 ( 6.841 -11.893 6.741) 15.287 4.789 ( 4.499 4.228 8.049) 10.144 5.205 ( -10.924 7.901 -5.914) 14.722 5.554 ( -4.615 3.874 -3.067) 6.761 5.718 ( 3.842 -5.528 -10.351) 12.347 6.349 ( 7.095 -24.058 -7.633) 26.218 7.019 ( -9.201 5.195 12.746) 16.556 7.571 ( -10.055 7.345 -3.534) 12.943 8.086 ( 6.707 3.609 -13.610) 15.597 8.315 ( -10.128 14.017 0.639) 17.305 9.058 ( 0.230 -13.901 17.800) 22.586 9.529 ( 10.039 -14.822 -2.264) 18.044 10.415 ( 11.584 -19.010 3.670) 22.562 11.073 ( 4.165 13.301 -9.348) 16.782 11.284 ( 8.265 1.034 1.298) 8.430 12.286 ( -15.357 5.836 -4.412) 17.010 12.453 ( -10.633 -18.195 6.903) 22.176 13.487 ( 0.693 -5.851 -0.168) 5.894 14.971 ( 11.343 17.371 4.285) 21.184 15.384 ( 0.687 12.270 -7.167) 14.226 16.408 ( -0.917 -7.820 -3.718) 8.707 16.665 ( 0.043 -9.959 -3.957) 10.717 ======================= Grid point 141 (69/172) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 1.738 1.406 1.610) 2.755 1.805 ( 0.280 4.568 4.751) 6.597 2.018 ( -8.897 -0.919 4.791) 10.147 2.313 ( -4.485 5.485 0.347) 7.094 2.606 ( -7.369 -3.592 -1.719) 8.376 2.737 ( 11.874 -0.503 0.012) 11.884 3.414 ( 8.145 -2.908 -8.297) 11.985 3.542 ( 8.463 -0.714 -11.432) 14.242 4.334 ( 2.913 -12.578 5.637) 14.088 4.953 ( -0.711 2.397 5.349) 5.905 5.053 ( -4.652 7.209 -2.299) 8.882 5.442 ( -8.483 -1.554 1.257) 8.716 5.715 ( 3.560 3.182 -12.819) 13.679 6.192 ( 3.608 -13.506 -6.306) 15.336 6.935 ( -18.482 18.155 3.786) 26.182 7.518 ( -0.522 0.225 4.314) 4.351 8.172 ( 4.098 -4.028 3.753) 6.863 8.397 ( 5.814 18.330 -13.378) 23.425 9.111 ( -0.974 -3.107 25.108) 25.318 9.535 ( 13.420 -19.792 -5.880) 24.625 10.453 ( 8.161 -13.451 -0.086) 15.733 11.199 ( 1.648 11.940 -7.684) 14.294 11.336 ( -2.149 -0.191 -1.498) 2.626 11.981 ( -7.941 -10.575 -8.093) 15.504 12.302 ( -1.059 -5.250 6.895) 8.730 13.397 ( -2.781 -7.144 0.192) 7.669 15.257 ( 3.962 11.093 -4.427) 12.583 15.511 ( 2.776 9.688 6.454) 11.967 16.274 ( -0.076 -6.685 -6.865) 9.582 16.611 ( 3.389 -3.349 -3.605) 5.974 ======================= Grid point 142 (70/172) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -1.514 -2.127 -1.240) 2.890 1.803 ( -11.500 0.667 6.826) 13.390 1.876 ( -0.367 -3.672 2.724) 4.587 2.381 ( -6.019 5.509 -1.717) 8.338 2.464 ( 1.750 4.689 0.831) 5.074 3.006 ( 14.557 5.936 3.331) 16.070 3.367 ( 5.078 -11.994 -10.172) 16.526 3.694 ( 9.138 9.094 -11.599) 17.342 4.212 ( -7.086 -9.475 2.122) 12.020 4.874 ( -5.020 2.346 -0.469) 5.561 5.201 ( 6.642 2.895 3.909) 8.233 5.296 ( -6.192 -3.666 3.595) 8.044 5.679 ( -3.065 3.723 -5.695) 7.462 6.170 ( 5.256 0.019 -2.637) 5.880 6.887 ( -10.424 22.778 -3.986) 25.366 7.573 ( 2.209 -3.194 8.809) 9.627 8.121 ( -3.744 -10.881 3.411) 12.002 8.649 ( 14.894 12.017 -12.986) 23.128 9.312 ( -0.884 9.605 28.016) 29.630 9.509 ( 11.565 -16.776 -9.166) 22.343 10.334 ( -5.916 -9.904 -13.507) 17.763 11.130 ( -7.511 1.934 -4.183) 8.812 11.341 ( -1.561 4.056 3.561) 5.619 11.839 ( 6.808 -8.107 -6.297) 12.318 12.352 ( 8.518 -5.394 2.740) 10.448 13.297 ( -1.434 -4.688 0.397) 4.919 15.256 ( -10.814 4.098 1.483) 11.659 15.702 ( 7.392 2.842 2.815) 8.404 16.253 ( 4.965 3.666 -4.973) 7.926 16.633 ( 4.219 -0.999 -4.463) 6.222 ======================= Grid point 143 (71/172) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -8.599 -2.918 0.091) 9.081 1.587 ( -17.421 0.567 6.788) 18.705 1.977 ( 10.799 -2.120 0.796) 11.034 2.269 ( -2.527 0.545 -1.910) 3.214 2.662 ( 6.555 8.595 -0.459) 10.819 3.219 ( 3.279 -13.231 -11.815) 18.039 3.351 ( 8.281 10.675 6.590) 15.031 3.745 ( -5.652 4.863 -6.179) 9.684 4.095 ( 5.466 -0.091 -4.792) 7.270 4.811 ( -5.715 1.167 -1.246) 5.964 5.217 ( 1.543 -5.696 6.911) 9.088 5.377 ( 7.518 -0.111 2.968) 8.083 5.671 ( 0.056 4.579 1.901) 4.958 6.305 ( 5.376 8.259 1.344) 9.946 6.943 ( -3.210 20.659 -10.822) 23.542 7.606 ( 1.759 -11.519 10.590) 15.746 7.950 ( -2.852 -13.143 1.368) 13.518 8.835 ( 8.588 -4.412 -8.243) 12.695 9.527 ( 5.801 3.851 -8.639) 11.096 9.660 ( 9.879 15.573 18.638) 26.220 9.913 ( -14.368 -8.204 -23.498) 28.738 11.068 ( -4.989 3.874 5.061) 8.094 11.352 ( -4.104 1.440 7.121) 8.344 11.868 ( 6.852 -3.055 -7.844) 10.854 12.484 ( 13.123 -9.800 0.170) 16.380 13.296 ( 3.161 0.842 1.952) 3.809 15.024 ( -20.544 -0.663 5.539) 21.288 15.840 ( 8.579 -1.936 -3.908) 9.624 16.418 ( 7.513 8.945 1.004) 11.724 16.650 ( 2.533 0.041 -6.414) 6.896 ======================= Grid point 144 (72/172) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -13.194 -1.936 3.746) 13.851 1.348 ( -19.110 3.767 8.648) 21.311 2.135 ( 8.618 -4.045 -2.487) 9.840 2.297 ( 5.302 2.500 -1.622) 6.082 2.780 ( 1.388 2.779 -2.643) 4.079 3.061 ( 0.318 -5.977 -6.698) 8.982 3.434 ( -4.063 -3.130 -3.023) 5.953 3.802 ( 4.476 12.940 5.211) 14.650 4.274 ( 13.321 7.255 -7.248) 16.811 4.680 ( -9.051 2.215 -1.667) 9.466 5.262 ( 4.756 -10.576 4.333) 12.379 5.504 ( 5.925 -2.394 2.220) 6.765 5.839 ( 11.477 6.940 6.324) 14.828 6.485 ( 3.543 9.329 2.559) 10.302 7.015 ( 1.882 14.201 -12.986) 19.335 7.600 ( 8.598 -17.211 4.546) 19.769 7.810 ( 1.629 -15.485 6.772) 16.979 8.772 ( 1.746 -13.193 -6.979) 15.027 9.337 ( -15.299 0.510 -30.289) 33.937 9.715 ( -0.286 12.575 -2.718) 12.869 10.229 ( 22.308 20.112 13.175) 32.798 11.051 ( -8.221 2.422 10.706) 13.714 11.306 ( -6.311 1.582 -2.604) 7.007 11.915 ( 5.801 -3.187 2.346) 7.022 12.564 ( 8.793 -9.645 -2.723) 13.333 13.433 ( 5.962 4.927 3.506) 8.492 14.656 ( -25.969 -1.990 6.886) 26.940 15.869 ( 4.639 -6.577 -11.059) 13.678 16.579 ( 0.490 0.030 -0.226) 0.540 16.720 ( 8.744 10.240 -1.404) 13.539 ======================= Grid point 147 (73/172) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -5.450 5.607 13.289) 15.419 1.324 ( -1.721 9.989 9.366) 13.801 2.086 ( -3.695 7.155 -1.989) 8.295 2.556 ( -1.576 -9.134 -5.462) 10.759 2.804 ( 6.995 0.051 -5.017) 8.608 2.929 ( 6.156 2.769 2.016) 7.045 3.256 ( 0.743 -0.700 -3.766) 3.902 3.970 ( -10.993 -9.117 -5.248) 15.216 4.398 ( -7.709 4.473 -1.139) 8.985 4.625 ( -1.269 -7.314 1.250) 7.528 5.312 ( 10.668 9.084 1.897) 14.140 5.360 ( 1.193 -1.284 -4.444) 4.777 6.002 ( 11.796 -26.274 -1.619) 28.846 6.579 ( 8.514 -8.843 -6.339) 13.815 7.116 ( -0.989 9.422 -24.834) 26.580 7.399 ( -21.258 1.646 2.653) 21.486 7.966 ( 5.103 -10.965 2.173) 12.288 8.513 ( 33.245 5.977 12.600) 36.052 9.275 ( 12.111 13.345 3.269) 18.315 10.128 ( -11.342 8.260 -9.039) 16.690 10.194 ( -19.719 -21.792 16.033) 33.478 10.786 ( -9.100 -21.337 -0.150) 23.197 11.123 ( -3.439 4.609 -3.925) 6.963 12.490 ( 12.581 1.938 -6.050) 14.094 12.841 ( 14.663 0.879 3.343) 15.065 13.407 ( -9.504 -9.963 3.868) 14.302 14.390 ( -13.056 17.658 11.018) 24.569 15.207 ( -1.160 7.886 -17.901) 19.596 16.582 ( -2.198 1.218 -1.497) 2.925 17.041 ( 3.573 -9.684 -3.127) 10.786 ======================= Grid point 148 (74/172) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -1.580 7.808 15.246) 17.202 1.497 ( 0.795 7.607 12.488) 14.643 2.085 ( -3.722 10.347 -3.266) 11.471 2.366 ( -4.870 -10.927 -4.383) 12.741 2.818 ( 0.009 4.905 -10.795) 11.857 3.049 ( 5.454 -1.857 -2.805) 6.408 3.262 ( 3.477 -4.885 0.362) 6.007 3.634 ( -7.564 -14.361 -7.438) 17.854 4.283 ( -5.406 -3.450 2.240) 6.793 4.623 ( -0.850 2.352 6.246) 6.728 5.336 ( 0.261 3.051 -6.669) 7.339 5.538 ( 6.913 4.159 -0.493) 8.082 5.978 ( 13.863 -20.426 -3.608) 24.948 6.316 ( -15.818 -19.344 -4.948) 25.473 7.012 ( -2.069 5.863 0.467) 6.235 7.364 ( 4.105 10.919 -13.485) 17.831 7.971 ( 4.612 -6.051 1.384) 7.732 9.012 ( 17.431 -9.352 10.413) 22.355 9.421 ( -17.534 -8.962 16.618) 25.766 9.757 ( -16.152 -5.370 -20.131) 26.362 10.067 ( 15.825 -0.729 3.900) 16.314 10.554 ( -6.177 -2.024 5.244) 8.352 11.079 ( -3.012 6.364 -6.319) 9.461 12.596 ( 9.277 -7.800 -6.286) 13.654 13.078 ( 9.381 -7.245 2.910) 12.205 13.200 ( -6.967 -3.080 5.581) 9.443 14.490 ( -5.588 18.745 11.137) 22.508 15.208 ( 2.225 13.685 -16.521) 21.568 16.531 ( -2.536 -1.010 -1.831) 3.287 16.921 ( -1.029 -14.591 -2.340) 14.813 ======================= Grid point 149 (75/172) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 0.473 4.789 10.068) 11.159 1.631 ( -2.021 7.280 12.351) 14.478 2.128 ( 0.180 6.797 0.332) 6.807 2.161 ( -3.197 -9.451 -1.362) 10.070 2.757 ( -2.054 3.899 -14.669) 15.317 3.065 ( -1.599 -3.548 0.220) 3.898 3.194 ( -1.768 -4.850 -3.188) 6.067 3.427 ( 4.234 -12.997 -7.198) 15.449 4.200 ( -1.510 -7.584 6.585) 10.157 4.705 ( 0.708 4.460 7.410) 8.677 5.343 ( 0.196 8.682 -8.783) 12.352 5.613 ( 1.951 -1.170 -4.130) 4.715 5.860 ( -12.333 -12.747 -0.729) 17.752 5.995 ( 11.361 -19.046 -3.387) 22.435 7.073 ( -0.398 -0.464 11.895) 11.911 7.458 ( 10.667 6.589 -19.728) 23.374 8.013 ( 1.901 0.729 -0.156) 2.042 9.041 ( -3.476 -24.538 0.164) 24.783 9.064 ( -24.413 0.476 12.203) 27.297 9.363 ( 1.805 -13.560 -5.438) 14.721 10.310 ( -1.326 -0.011 7.543) 7.658 10.695 ( 15.870 11.458 0.410) 19.579 11.077 ( 0.250 7.724 -7.213) 10.571 12.572 ( 1.901 -12.546 0.315) 12.693 12.908 ( -10.982 -8.604 -1.881) 14.077 13.316 ( 7.820 0.754 3.112) 8.451 14.699 ( 2.146 16.190 7.571) 18.001 15.296 ( 3.511 13.326 -11.916) 18.218 16.454 ( -2.137 -4.547 -1.728) 5.313 16.722 ( -2.714 -14.570 -2.263) 14.992 ======================= Grid point 150 (76/172) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -1.979 0.022 4.212) 4.654 1.765 ( 0.198 8.956 5.512) 10.518 2.101 ( 1.673 -0.416 -0.290) 1.748 2.250 ( 7.183 -1.179 9.734) 12.155 2.648 ( -3.300 3.221 -12.560) 13.380 2.861 ( -10.464 -10.542 3.110) 15.176 3.226 ( 5.253 3.589 -6.964) 9.432 3.332 ( 3.575 -9.062 -7.162) 12.091 4.177 ( 3.070 -10.293 8.355) 13.608 4.822 ( 2.603 3.848 6.491) 7.982 5.369 ( -3.862 9.097 -7.915) 12.662 5.536 ( -0.004 -0.692 -7.399) 7.432 5.662 ( -3.284 -5.243 -0.559) 6.212 5.954 ( 8.219 -17.418 -4.065) 19.684 7.162 ( 3.113 -1.583 12.278) 12.765 7.593 ( 11.183 2.038 -8.273) 14.059 7.994 ( -6.075 6.778 -8.993) 12.795 8.695 ( -8.561 -9.928 -6.488) 14.627 8.836 ( -5.522 -4.154 5.894) 9.082 9.362 ( 5.041 -13.676 13.625) 19.952 10.298 ( -3.510 -1.711 9.636) 10.397 11.060 ( 10.253 15.142 -5.058) 18.973 11.142 ( 6.479 3.200 -4.308) 8.413 12.420 ( -3.785 -22.786 6.957) 24.123 12.578 ( -17.696 1.575 -8.847) 19.847 13.427 ( 2.966 -1.645 1.471) 3.697 14.956 ( 8.106 12.804 -0.780) 15.174 15.419 ( 3.655 10.643 -3.254) 11.714 16.334 ( -2.473 -9.776 -1.644) 10.217 16.565 ( -0.651 -6.975 -2.288) 7.369 ======================= Grid point 151 (77/172) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -0.964 -0.750 2.301) 2.605 1.872 ( 0.137 4.779 2.394) 5.347 2.136 ( -0.739 1.351 1.481) 2.137 2.465 ( 9.215 3.668 8.126) 12.822 2.532 ( -3.946 0.379 -7.724) 8.682 2.639 ( -5.960 -7.734 2.017) 9.970 3.205 ( 3.496 -7.252 -5.582) 9.797 3.395 ( 7.279 8.081 -7.659) 13.302 4.213 ( 4.897 -8.418 7.797) 12.476 4.951 ( 5.038 1.235 5.143) 7.304 5.229 ( -10.986 2.498 -5.228) 12.420 5.539 ( -5.843 -4.242 -0.336) 7.228 5.600 ( 6.327 8.112 -10.251) 14.523 5.919 ( 8.488 -10.802 -4.040) 14.320 7.304 ( 0.586 3.631 13.148) 13.653 7.669 ( -8.901 4.187 3.546) 10.457 7.912 ( 8.046 3.258 -15.968) 18.175 8.520 ( -2.144 -5.264 -1.600) 5.905 8.871 ( 13.299 -4.314 -5.799) 15.136 9.434 ( 0.196 -5.907 25.057) 25.745 10.295 ( -0.065 -4.060 4.666) 6.185 11.218 ( 3.671 8.856 -7.873) 12.405 11.307 ( 5.286 5.672 -0.355) 7.761 12.028 ( -14.791 -18.324 -5.799) 24.252 12.353 ( -8.257 -0.420 0.980) 8.326 13.398 ( -2.901 -4.941 1.377) 5.893 15.186 ( 9.799 8.850 -7.507) 15.189 15.567 ( 3.044 4.181 4.769) 7.035 16.204 ( -1.273 -4.648 -1.630) 5.088 16.527 ( 1.754 -1.341 -1.577) 2.714 ======================= Grid point 152 (78/172) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -0.307 -0.556 0.582) 0.862 1.866 ( -2.806 -1.601 0.474) 3.266 2.047 ( -10.081 -3.772 2.916) 11.152 2.480 ( -4.351 -5.433 -1.016) 7.034 2.505 ( 0.329 8.163 -0.037) 8.170 2.772 ( 14.814 2.297 1.920) 15.113 3.209 ( 4.266 0.947 -0.985) 4.480 3.558 ( 8.478 9.002 -8.919) 15.247 4.236 ( -0.943 -6.228 5.620) 8.441 5.026 ( -9.922 2.049 -0.707) 10.156 5.089 ( 7.635 -2.251 -0.013) 7.960 5.386 ( -7.082 -5.051 2.080) 8.944 5.695 ( 2.333 5.562 -4.930) 7.790 6.010 ( 11.317 1.767 -4.314) 12.240 7.324 ( -16.860 15.032 2.813) 22.763 7.594 ( -0.969 -2.816 8.987) 9.468 7.997 ( 6.661 -11.222 -1.470) 13.132 8.483 ( 4.925 0.997 -7.320) 8.879 9.063 ( 19.442 -1.958 -11.160) 22.503 9.620 ( -0.446 7.805 26.660) 27.782 10.229 ( -2.807 -8.351 -5.414) 10.340 11.196 ( -4.253 -2.400 -6.831) 8.397 11.447 ( 1.650 13.773 0.667) 13.887 11.672 ( -3.806 -10.897 -3.416) 12.037 12.262 ( -1.941 -2.826 1.547) 3.761 13.299 ( -2.892 -4.024 0.513) 4.981 15.353 ( 6.267 5.456 -5.310) 9.861 15.603 ( 0.068 -7.837 3.870) 8.740 16.233 ( 2.995 8.097 0.420) 8.644 16.556 ( 2.575 1.178 -1.616) 3.260 ======================= Grid point 153 (79/172) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -3.446 3.031 -0.528) 4.619 1.803 ( -1.954 -6.938 1.337) 7.331 1.863 ( -5.210 -3.461 3.192) 7.022 2.333 ( -6.974 -3.036 1.600) 7.772 2.642 ( 5.551 6.153 -2.449) 8.642 2.927 ( 7.213 -6.297 -6.528) 11.588 3.412 ( 6.984 14.135 7.961) 17.662 3.726 ( 7.745 10.812 -11.345) 17.481 4.120 ( -8.061 -4.728 3.935) 10.140 4.905 ( -5.308 2.063 -0.818) 5.753 5.208 ( 6.532 -6.625 1.264) 9.389 5.246 ( -2.361 -5.107 3.844) 6.814 5.734 ( -0.385 3.019 2.232) 3.774 6.245 ( 11.513 8.905 -2.782) 14.818 7.179 ( -13.170 12.599 -6.119) 19.226 7.594 ( -2.105 -12.547 13.209) 18.339 7.877 ( -3.800 -13.502 3.088) 14.362 8.543 ( 9.601 -6.731 -9.387) 15.020 9.374 ( 17.258 16.558 -8.506) 25.384 9.819 ( -7.115 0.727 -5.171) 8.826 9.978 ( -5.486 5.124 2.704) 7.979 11.126 ( 1.685 -0.083 1.499) 2.257 11.512 ( -6.336 -1.419 5.605) 8.578 11.680 ( 9.107 4.694 -1.421) 10.343 12.248 ( 3.875 -4.324 -0.552) 5.832 13.272 ( 1.855 1.114 0.105) 2.166 15.338 ( -12.236 -0.941 5.811) 13.578 15.590 ( 10.319 -8.348 -5.727) 14.456 16.416 ( 5.475 11.141 1.896) 12.558 16.594 ( 1.499 2.213 -3.141) 4.124 ======================= Grid point 154 (80/172) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -10.720 2.609 1.623) 11.152 1.668 ( -9.023 -1.302 3.812) 9.881 1.899 ( 9.448 -5.943 0.531) 11.174 2.251 ( -0.226 -1.697 2.158) 2.754 2.743 ( 5.227 0.348 -4.396) 6.838 2.885 ( 2.020 -5.020 -7.469) 9.223 3.603 ( -9.457 8.035 1.711) 12.527 3.863 ( 5.594 13.206 -3.800) 14.836 4.133 ( 8.871 7.102 3.004) 11.755 4.838 ( -6.783 3.574 -1.437) 7.800 5.115 ( 0.483 -11.827 2.558) 12.110 5.347 ( 9.171 -5.983 1.793) 11.096 5.811 ( 4.214 2.456 6.208) 7.895 6.464 ( 7.596 0.322 2.017) 7.866 7.055 ( -4.883 9.726 -16.285) 19.587 7.448 ( -5.613 -17.196 9.176) 20.284 7.753 ( -1.918 -6.948 10.009) 12.335 8.537 ( 6.262 -11.023 -6.271) 14.144 9.362 ( -14.197 -3.620 -28.393) 31.951 9.793 ( 9.318 20.848 -4.630) 23.301 10.257 ( 8.736 18.814 12.730) 24.338 11.201 ( 0.460 0.704 6.888) 6.940 11.385 ( -6.533 -4.723 -1.540) 8.207 11.872 ( 4.259 5.207 7.940) 10.406 12.298 ( 9.028 -4.179 -4.645) 10.979 13.387 ( 6.785 5.418 1.057) 8.747 15.080 ( -20.408 -2.866 8.012) 22.111 15.622 ( 7.649 -9.617 -8.358) 14.861 16.590 ( -0.247 2.206 1.043) 2.453 16.654 ( 7.928 9.982 -3.947) 13.345 ======================= Grid point 157 (81/172) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -0.836 6.407 3.367) 7.286 1.513 ( -5.069 5.277 10.400) 12.717 2.120 ( 3.198 3.097 0.344) 4.465 2.407 ( 2.596 -5.475 -5.479) 8.170 2.535 ( 13.921 -6.751 0.604) 15.484 2.933 ( 2.610 1.230 -1.802) 3.402 3.370 ( -12.692 7.937 -6.293) 16.239 3.982 ( -9.835 -11.766 -12.504) 19.787 4.516 ( -1.305 -8.072 5.976) 10.128 4.689 ( -6.506 9.325 2.606) 11.665 5.133 ( 10.890 -1.674 -5.197) 12.182 5.329 ( 4.076 1.585 3.271) 5.461 5.584 ( 6.665 -16.866 -2.358) 18.287 6.367 ( 9.854 2.790 -8.792) 13.498 7.037 ( 0.132 1.770 -17.477) 17.567 7.747 ( -7.552 2.867 3.975) 9.003 7.833 ( 3.670 2.291 1.482) 4.573 8.181 ( 14.529 -2.823 15.233) 21.239 9.269 ( 7.110 14.804 4.739) 17.093 10.242 ( -6.141 -4.893 -4.129) 8.872 10.431 ( -20.647 -21.438 10.105) 31.432 10.858 ( -8.788 1.304 -2.580) 9.251 11.172 ( -2.515 1.966 -2.266) 3.915 12.219 ( 9.725 -7.397 -8.089) 14.654 12.612 ( 12.792 -0.828 -0.164) 12.820 13.469 ( -5.566 -7.438 1.399) 9.395 14.849 ( -13.998 13.559 10.294) 22.040 15.161 ( 0.944 4.753 -10.886) 11.916 16.599 ( -0.486 0.860 -4.652) 4.756 16.860 ( 3.723 -7.324 -5.245) 9.748 ======================= Grid point 158 (82/172) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -0.435 3.002 7.561) 8.147 1.607 ( 1.369 10.278 9.603) 14.133 2.177 ( 0.053 2.981 -0.016) 2.981 2.326 ( -3.430 -3.310 -1.839) 5.110 2.670 ( 9.289 -5.741 -5.677) 12.307 2.965 ( 3.469 -1.193 -3.600) 5.139 3.237 ( -5.162 4.547 -4.244) 8.083 3.569 ( -10.360 -16.363 -12.327) 22.957 4.419 ( -8.641 -4.198 9.138) 13.259 4.728 ( -2.022 6.628 3.793) 7.900 5.242 ( 8.041 0.466 -6.123) 10.117 5.387 ( 6.983 -9.433 -0.069) 11.736 5.627 ( 8.711 -0.487 -4.086) 9.634 6.345 ( -6.902 -11.123 -1.753) 13.207 7.000 ( 5.911 10.684 -18.066) 21.805 7.557 ( -18.772 2.016 7.635) 20.365 7.910 ( 3.351 2.646 5.669) 7.097 8.634 ( 24.519 -7.622 9.128) 27.251 9.481 ( 1.120 -7.624 -2.844) 8.214 9.920 ( -18.152 -19.523 7.596) 27.719 9.997 ( -7.184 3.822 -2.586) 8.538 10.782 ( -8.215 8.836 4.301) 12.809 11.131 ( -2.792 5.220 -6.569) 8.842 12.246 ( 12.513 -11.458 -10.346) 19.872 12.806 ( 14.131 -8.688 0.554) 16.597 13.317 ( -6.239 -4.410 4.181) 8.710 14.855 ( -9.698 14.506 8.560) 19.436 15.197 ( 1.929 10.900 -8.651) 14.049 16.542 ( -2.227 -1.607 -4.509) 5.279 16.771 ( 0.661 -11.681 -4.279) 12.457 ======================= Grid point 159 (83/172) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -0.075 -0.916 3.743) 3.854 1.800 ( 0.104 9.617 9.759) 13.701 2.158 ( -2.703 -4.818 0.135) 5.526 2.240 ( -6.259 4.561 4.978) 9.207 2.662 ( 2.961 -3.114 -11.027) 11.834 2.983 ( 5.373 -3.804 -6.917) 9.549 3.186 ( -5.113 -5.725 -1.675) 7.857 3.244 ( -0.489 -4.764 -6.474) 8.053 4.279 ( -8.805 -7.152 9.656) 14.897 4.787 ( -0.402 4.322 4.049) 5.936 5.333 ( 3.695 7.045 -7.517) 10.945 5.421 ( 8.620 -8.752 -1.684) 12.399 5.725 ( 5.645 -1.658 -4.591) 7.462 5.999 ( -15.115 -12.998 3.060) 20.169 7.151 ( 11.458 8.966 -15.238) 21.069 7.294 ( -15.335 -2.106 3.800) 15.939 8.070 ( 1.852 5.647 12.635) 13.963 8.849 ( 4.649 -18.469 3.369) 19.341 9.139 ( -3.325 -20.724 1.236) 21.025 9.479 ( -19.011 -6.195 -1.882) 20.083 10.264 ( 14.460 9.591 3.396) 17.681 10.775 ( -6.208 11.020 4.435) 13.403 11.111 ( -1.524 9.339 -8.104) 12.458 12.279 ( 11.978 -15.326 -5.178) 20.129 12.868 ( 4.061 -9.633 -2.982) 10.871 13.282 ( 0.929 0.677 4.955) 5.087 14.909 ( -5.207 13.109 4.343) 14.758 15.305 ( 2.618 11.201 -3.683) 12.078 16.431 ( -3.103 -6.447 -3.880) 8.139 16.621 ( -1.727 -10.197 -2.703) 10.690 ======================= Grid point 160 (84/172) ======================= q-point: ( 0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -0.110 -1.703 0.639) 1.822 1.884 ( -2.767 4.410 3.324) 6.177 2.083 ( -1.475 -1.530 2.604) 3.361 2.252 ( -0.160 -1.788 7.575) 7.785 2.597 ( 0.643 -1.448 -8.652) 8.796 2.916 ( -2.117 -4.235 -4.858) 6.784 3.113 ( 2.588 -2.225 -0.532) 3.454 3.240 ( 1.244 2.914 -2.544) 4.063 4.138 ( -3.881 -10.692 8.724) 14.335 4.851 ( 1.388 2.150 2.466) 3.554 5.400 ( 2.450 8.686 -8.859) 12.646 5.480 ( 4.803 -1.668 -2.478) 5.656 5.618 ( -5.939 -8.953 -2.597) 11.054 5.802 ( -2.329 -5.237 2.612) 6.299 7.092 ( 2.266 -6.049 -9.045) 11.114 7.364 ( 9.256 5.799 1.490) 11.024 8.193 ( -5.829 4.867 14.179) 16.085 8.534 ( -7.974 -19.190 -2.285) 20.906 9.002 ( -3.774 -4.656 -16.657) 17.703 9.333 ( 0.175 -4.527 25.937) 26.329 10.439 ( -1.484 0.051 3.273) 3.594 10.932 ( 8.757 8.157 1.090) 12.017 11.165 ( 0.692 16.613 -8.080) 18.487 12.219 ( 3.537 -24.008 2.308) 24.376 12.757 ( -6.991 0.954 -6.782) 9.787 13.371 ( 4.052 -0.139 2.485) 4.755 14.985 ( -0.390 10.151 -1.922) 10.339 15.442 ( 3.217 7.882 1.820) 8.705 16.272 ( -2.695 -9.717 -2.013) 10.283 16.516 ( -0.868 -3.621 -1.327) 3.953 ======================= Grid point 161 (85/172) ======================= q-point: ( 0.60 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -0.585 -1.169 1.173) 1.757 1.916 ( 0.764 2.454 1.066) 2.782 2.094 ( 3.142 -0.238 -2.591) 4.080 2.273 ( 6.108 -9.578 -1.730) 11.491 2.574 ( 0.477 2.557 0.670) 2.686 2.825 ( -9.111 4.292 4.776) 11.146 3.110 ( 0.348 -1.894 1.662) 2.544 3.330 ( 4.876 7.634 -3.565) 9.734 4.099 ( 4.505 -8.808 6.556) 11.868 4.901 ( 2.774 -1.280 0.491) 3.094 5.378 ( -8.536 -0.096 -3.076) 9.074 5.502 ( 5.777 7.673 -8.013) 12.508 5.559 ( 1.568 -0.938 -1.636) 2.452 5.727 ( 0.470 -5.570 -0.509) 5.613 7.150 ( 16.066 -3.225 -8.033) 18.250 7.608 ( 9.792 1.998 10.658) 14.611 8.128 ( -13.849 1.803 6.781) 15.525 8.296 ( -1.986 -9.149 -2.334) 9.649 8.825 ( -1.778 0.415 -10.910) 11.061 9.548 ( 4.261 -0.294 27.790) 28.117 10.377 ( -5.864 -0.875 1.290) 6.067 11.076 ( 7.354 -3.748 -3.510) 8.970 11.372 ( 3.648 21.406 -3.179) 21.946 11.969 ( -5.697 -23.802 1.599) 24.527 12.580 ( -13.140 6.957 -5.176) 15.743 13.396 ( -0.708 -4.068 1.119) 4.279 15.063 ( 4.871 4.624 -7.039) 9.729 15.572 ( 2.841 1.282 5.531) 6.349 16.183 ( 0.478 -0.774 0.072) 0.912 16.498 ( 0.813 0.216 0.272) 0.884 ======================= Grid point 162 (86/172) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -0.586 -0.950 1.280) 1.698 1.903 ( -3.291 -0.269 -3.118) 4.542 2.064 ( -0.891 -9.980 -3.267) 10.539 2.322 ( 12.194 -1.497 -8.164) 14.751 2.604 ( -5.450 0.577 5.319) 7.637 2.817 ( -4.770 10.503 10.507) 15.604 3.184 ( 5.031 7.115 3.759) 9.490 3.468 ( 6.030 6.074 -3.190) 9.135 4.169 ( 6.140 -5.279 2.992) 8.633 4.931 ( 5.323 -5.072 -1.585) 7.522 5.210 ( -10.165 0.838 -1.060) 10.254 5.472 ( -6.761 -3.815 1.218) 7.858 5.653 ( 5.710 6.366 -2.823) 9.006 5.805 ( 11.664 5.392 -5.407) 13.942 7.373 ( 17.045 -2.635 -8.722) 19.328 7.809 ( -6.908 -6.460 27.198) 28.796 7.916 ( -8.483 8.683 -9.731) 15.558 8.241 ( 6.749 -10.267 -0.704) 12.307 8.835 ( 6.693 9.449 -8.090) 14.126 9.818 ( 3.783 4.105 24.324) 24.956 10.236 ( -7.730 -5.263 -2.319) 9.635 11.095 ( 5.068 -7.007 -6.474) 10.802 11.532 ( -2.273 2.113 -1.501) 3.447 11.722 ( -5.232 3.707 2.272) 6.803 12.405 ( -12.058 6.933 -2.030) 14.056 13.308 ( -3.061 -5.296 -0.061) 6.117 15.150 ( 10.042 -2.185 -7.768) 12.882 15.604 ( -1.579 -5.323 6.938) 8.886 16.282 ( 3.568 10.583 1.403) 11.256 16.539 ( 1.653 2.286 1.073) 3.019 ======================= Grid point 163 (87/172) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 1.753 -0.523 0.571) 1.917 1.786 ( -3.610 -4.401 -3.756) 6.820 1.902 ( -5.042 -6.368 -1.829) 8.326 2.450 ( 3.700 -0.005 -2.350) 4.383 2.517 ( -3.356 -1.562 1.511) 3.998 2.887 ( -3.182 4.633 4.499) 7.199 3.475 ( 9.792 15.169 6.344) 19.137 3.625 ( 8.068 8.010 -2.182) 11.577 4.182 ( -0.860 -3.826 -1.278) 4.125 4.970 ( 4.806 -3.773 -2.394) 6.563 5.059 ( -4.876 -2.068 1.399) 5.478 5.319 ( -7.714 -4.431 2.314) 9.192 5.750 ( 2.318 -1.251 4.481) 5.198 6.088 ( 13.537 13.286 -7.798) 20.508 7.466 ( 3.740 -10.914 -5.817) 12.920 7.558 ( -18.408 6.856 1.281) 19.685 7.952 ( -4.751 -4.581 18.918) 20.036 8.253 ( 8.488 -10.908 -5.672) 14.940 9.164 ( 20.174 20.907 -9.636) 30.610 9.877 ( -12.370 -11.531 -2.990) 17.174 10.142 ( 2.764 9.155 9.586) 13.540 11.065 ( 3.943 -4.069 -1.992) 6.006 11.443 ( 1.121 -7.790 -1.725) 8.057 11.822 ( -3.672 16.320 5.730) 17.682 12.295 ( -7.826 6.495 -0.647) 10.190 13.248 ( 1.072 -0.311 -1.530) 1.894 15.246 ( 12.726 -8.590 -6.096) 16.519 15.531 ( -6.840 -5.157 8.342) 11.957 16.468 ( 3.391 12.754 -0.283) 13.200 16.596 ( 0.817 3.097 1.154) 3.404 ======================= Grid point 164 (88/172) ======================= q-point: (-0.10 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 4.909 -7.348 0.300) 8.842 1.671 ( -5.109 0.618 -2.336) 5.651 1.792 ( -2.245 -0.368 1.851) 2.932 2.345 ( -9.366 -0.768 3.063) 9.883 2.543 ( 7.088 -7.344 -4.462) 11.140 2.880 ( -3.454 3.061 0.842) 4.692 3.777 ( 10.721 9.185 -2.010) 14.260 3.872 ( -2.014 17.969 -0.091) 18.082 4.113 ( 3.312 0.282 1.380) 3.599 4.921 ( -3.252 0.409 -2.480) 4.110 5.082 ( 2.962 -5.326 1.558) 6.290 5.171 ( -2.530 -6.678 3.423) 7.919 5.778 ( 2.575 -6.850 5.066) 8.900 6.320 ( 7.383 3.402 -5.016) 9.552 7.177 ( -14.251 0.750 -11.657) 18.427 7.494 ( -3.356 0.295 1.829) 3.834 7.900 ( -9.643 -6.681 23.197) 25.995 8.263 ( 9.730 -10.543 -4.324) 14.984 9.382 ( -12.051 -3.367 -20.968) 24.417 9.741 ( 15.567 18.152 -2.908) 24.089 10.382 ( 4.997 12.325 7.593) 15.314 11.150 ( 7.663 -2.045 3.300) 8.590 11.367 ( -0.147 -8.868 -2.108) 9.116 11.964 ( 0.166 11.180 5.641) 12.523 12.249 ( -5.099 7.081 -0.538) 8.743 13.329 ( 6.282 5.491 -1.804) 8.536 15.300 ( 8.584 -12.965 -4.162) 16.097 15.394 ( -10.347 -3.240 8.400) 13.715 16.594 ( 1.949 5.750 -7.090) 9.334 16.665 ( 0.953 7.906 3.845) 8.842 ======================= Grid point 168 (89/172) ======================= q-point: ( 0.20 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -0.533 5.101 2.143) 5.558 1.689 ( -4.049 3.613 6.578) 8.528 1.959 ( 11.014 -9.614 1.260) 14.674 2.242 ( 11.205 -1.963 -4.706) 12.311 2.472 ( -5.019 9.647 3.431) 11.403 2.916 ( -1.759 0.379 1.432) 2.300 3.609 ( -11.686 5.632 -10.020) 16.392 3.929 ( -10.823 -11.881 -16.100) 22.749 4.364 ( 13.666 -7.756 3.704) 16.144 4.933 ( 4.338 0.239 -2.596) 5.061 4.939 ( -6.365 5.657 1.205) 8.600 5.278 ( -0.299 -8.848 9.021) 12.640 5.488 ( -1.371 6.746 -2.758) 7.415 6.167 ( 9.364 4.990 -11.372) 15.553 6.891 ( 8.380 5.980 -13.507) 16.983 7.700 ( 4.455 -4.470 1.617) 6.515 7.899 ( 1.532 2.456 12.887) 13.208 8.268 ( -8.802 1.019 10.530) 13.761 9.392 ( -0.766 15.788 2.640) 16.025 10.199 ( -0.487 -9.309 -5.764) 10.960 10.540 ( -8.504 -19.119 5.235) 21.570 10.939 ( 1.323 4.749 -7.931) 9.338 11.271 ( -5.939 5.171 1.482) 8.013 11.970 ( 1.609 -11.412 -5.065) 12.589 12.446 ( 2.829 -3.780 0.889) 4.804 13.468 ( -2.069 -5.662 -1.406) 6.190 15.047 ( 4.293 2.986 -6.602) 8.422 15.316 ( -11.764 10.880 10.788) 19.317 16.527 ( 2.795 -0.380 -9.383) 9.798 16.762 ( -2.131 -3.056 -3.727) 5.270 ======================= Grid point 169 (90/172) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 0.341 1.602 2.141) 2.695 1.745 ( 1.259 7.354 6.624) 9.977 2.064 ( 8.583 -7.526 2.758) 11.743 2.388 ( 10.882 -2.537 -4.700) 12.122 2.502 ( -6.127 9.486 4.860) 12.294 2.881 ( -1.015 -3.608 -1.558) 4.059 3.406 ( -10.753 6.657 -9.045) 15.549 3.502 ( -10.827 -13.900 -13.429) 22.153 4.487 ( 3.793 -8.341 6.977) 11.517 4.871 ( -5.600 5.462 0.690) 7.853 5.069 ( 8.656 5.047 -4.241) 10.880 5.234 ( 1.198 -7.874 6.840) 10.499 5.558 ( 2.301 7.931 -4.758) 9.531 6.268 ( 4.740 -1.911 -8.606) 10.009 6.942 ( -0.459 7.769 -7.737) 10.974 7.777 ( 4.305 -2.260 10.518) 11.588 8.091 ( -8.319 12.547 -0.197) 15.056 8.246 ( 13.317 -7.251 12.509) 19.656 9.383 ( -4.233 -3.932 -15.408) 16.456 10.082 ( -10.244 -10.847 13.775) 20.307 10.139 ( -11.853 -12.852 -0.545) 17.492 10.958 ( -1.242 6.732 -1.643) 7.040 11.243 ( -6.034 10.028 -1.809) 11.843 11.882 ( 7.375 -11.568 -8.186) 15.976 12.494 ( 10.362 -9.683 -0.147) 14.183 13.363 ( -2.687 -5.875 1.475) 6.626 15.104 ( -0.619 10.605 -5.564) 11.991 15.333 ( -7.327 10.858 9.726) 16.315 16.480 ( 1.094 -4.340 -8.368) 9.489 16.662 ( -1.900 -5.066 -3.387) 6.383 ======================= Grid point 170 (91/172) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.274 -2.747 0.774) 2.867 1.933 ( 2.737 8.888 6.456) 11.321 2.118 ( 2.899 -5.020 1.999) 6.132 2.464 ( -0.723 3.541 -3.233) 4.849 2.500 ( -3.098 -0.116 4.155) 5.184 2.784 ( 2.489 -9.967 -6.036) 11.915 3.189 ( -5.525 -5.889 -5.009) 9.503 3.284 ( -5.873 7.718 -6.548) 11.702 4.408 ( -6.885 -11.120 7.958) 15.310 4.855 ( -2.255 3.904 -0.881) 4.593 5.256 ( 8.463 8.113 -4.673) 12.621 5.273 ( 3.750 -2.215 5.864) 7.304 5.633 ( 2.773 4.662 -5.618) 7.810 6.119 ( -9.500 -10.633 0.308) 14.262 6.973 ( 2.656 7.234 -12.897) 15.024 7.701 ( -20.953 1.863 9.162) 22.944 8.165 ( 5.490 9.516 7.857) 13.506 8.557 ( 16.646 -10.199 11.192) 22.503 9.045 ( -8.201 -12.638 -15.773) 21.812 9.625 ( -15.841 -21.370 7.633) 27.674 10.192 ( 5.072 3.954 1.906) 6.708 10.992 ( -3.929 10.606 -0.721) 11.334 11.241 ( -5.507 13.900 -3.501) 15.356 11.890 ( 11.857 -12.359 -5.043) 17.854 12.597 ( 13.010 -9.201 -1.684) 16.023 13.306 ( -0.533 -2.582 2.669) 3.752 15.147 ( -5.147 13.003 -2.193) 14.156 15.405 ( -2.399 8.060 7.854) 11.507 16.360 ( -1.575 -8.477 -6.518) 10.809 16.564 ( -1.995 -3.712 -2.353) 4.827 ======================= Grid point 171 (92/172) ======================= q-point: ( 0.50 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 0.661 -1.430 0.090) 1.578 1.988 ( -4.284 -0.709 1.878) 4.731 2.108 ( -0.849 -1.773 -0.132) 1.970 2.299 ( -9.212 -8.584 -1.284) 12.657 2.521 ( 3.230 1.559 -3.129) 4.759 2.825 ( 7.228 2.631 1.687) 7.874 3.117 ( -1.208 1.338 3.600) 4.026 3.263 ( -0.953 6.293 -3.368) 7.201 4.195 ( -8.785 -13.242 6.558) 17.191 4.852 ( 0.009 0.808 -1.158) 1.412 5.353 ( 3.266 3.369 -1.381) 4.891 5.435 ( 4.648 8.158 -1.594) 9.523 5.616 ( -3.286 -1.361 -5.618) 6.649 5.880 ( -8.704 -6.176 5.745) 12.121 6.914 ( -0.329 -2.366 -16.981) 17.148 7.507 ( -11.089 9.631 8.122) 16.783 8.402 ( 3.259 4.991 13.863) 15.090 8.531 ( -9.208 -16.877 9.329) 21.370 8.847 ( 0.139 -2.608 -13.474) 13.725 9.404 ( 2.249 -11.221 17.435) 20.855 10.303 ( 8.863 -4.617 -5.787) 11.548 11.025 ( -4.483 9.412 0.476) 10.436 11.305 ( -1.633 19.451 -4.891) 20.123 11.915 ( 8.258 -17.229 0.744) 19.120 12.710 ( 7.944 -1.202 -3.607) 8.807 13.328 ( 2.513 -0.355 1.481) 2.939 15.138 ( -7.366 8.739 -1.830) 11.575 15.505 ( 0.333 4.982 7.196) 8.759 16.210 ( -1.944 -6.619 -3.379) 7.681 16.502 ( -1.093 -1.191 -0.673) 1.751 ======================= Grid point 172 (93/172) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 0.321 -0.707 0.561) 0.958 1.914 ( -0.954 -1.238 0.561) 1.660 2.020 ( 0.472 -12.788 -6.817) 14.499 2.104 ( -2.387 -2.658 -3.692) 5.138 2.605 ( 3.015 7.129 0.790) 7.781 2.991 ( 0.865 10.080 5.453) 11.493 3.174 ( -1.409 2.068 9.525) 9.848 3.325 ( 2.446 5.475 0.010) 5.996 4.007 ( -1.827 -10.975 3.968) 11.812 4.845 ( 0.898 -2.806 -1.804) 3.455 5.429 ( 3.775 6.929 -6.391) 10.154 5.473 ( -4.828 -0.389 -2.353) 5.385 5.554 ( 0.417 6.071 -0.707) 6.127 5.753 ( -6.415 -2.928 3.336) 7.802 6.824 ( 7.639 -2.031 -13.675) 15.795 7.590 ( 2.675 7.921 4.534) 9.511 8.306 ( -11.117 -12.796 21.118) 27.079 8.515 ( -7.844 9.534 5.967) 13.712 8.704 ( 1.688 -3.714 -11.756) 12.444 9.611 ( 8.701 -2.780 23.710) 25.408 10.332 ( 6.940 -5.414 -8.693) 12.371 10.990 ( -4.083 -2.035 -0.529) 4.593 11.491 ( 3.387 16.993 -3.711) 17.721 11.837 ( 0.405 -12.399 2.786) 12.714 12.763 ( -2.556 6.386 -3.684) 7.803 13.362 ( 1.055 -2.623 0.429) 2.859 15.044 ( -4.937 -0.743 -4.850) 6.960 15.598 ( 0.609 1.435 7.607) 7.765 16.174 ( 1.706 3.696 -0.107) 4.072 16.500 ( 0.501 0.965 1.572) 1.912 ======================= Grid point 173 (94/172) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -0.282 -4.069 -0.182) 4.083 1.825 ( 2.226 -17.649 -7.465) 19.292 1.975 ( 2.529 4.545 -2.744) 5.881 2.108 ( 5.200 4.604 -4.214) 8.124 2.742 ( -0.450 8.091 4.899) 9.470 3.112 ( -6.596 11.285 9.015) 15.879 3.227 ( 0.579 5.510 6.860) 8.818 3.424 ( 4.249 0.203 4.255) 6.017 4.000 ( 7.079 -4.257 -0.319) 8.267 4.803 ( 1.926 -6.077 -2.209) 6.747 5.363 ( -7.911 2.679 -2.856) 8.827 5.543 ( -4.174 -2.008 -0.401) 4.649 5.605 ( 8.287 11.391 -1.124) 14.131 5.715 ( 1.637 6.370 -0.538) 6.599 6.944 ( 17.681 -1.533 -12.868) 21.921 7.727 ( 7.929 -1.599 -4.119) 9.077 8.192 ( -12.804 -10.535 36.157) 39.778 8.419 ( -15.099 13.678 -4.980) 20.973 8.740 ( 8.213 4.752 -5.364) 10.900 9.898 ( 8.365 1.215 19.539) 21.290 10.292 ( -3.883 -4.212 -3.225) 6.574 10.871 ( 2.574 -11.436 -5.939) 13.140 11.528 ( -1.877 -10.326 3.301) 11.002 11.894 ( 0.974 19.711 -1.336) 19.780 12.692 ( -11.755 10.098 -3.649) 15.921 13.300 ( -2.878 -6.236 0.550) 6.890 14.936 ( 2.960 -8.294 -6.469) 10.927 15.647 ( -1.471 -1.301 8.780) 8.997 16.325 ( 5.210 12.411 0.543) 13.472 16.550 ( 1.440 1.940 3.171) 3.987 ======================= Grid point 174 (95/172) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 1.643 -7.538 -1.894) 7.944 1.653 ( 2.414 -14.961 -6.339) 16.427 2.004 ( -4.641 10.232 -2.683) 11.551 2.257 ( 8.624 2.089 -3.280) 9.460 2.740 ( -10.517 3.815 5.406) 12.425 3.101 ( -9.087 4.101 10.277) 14.318 3.419 ( 8.461 5.676 -3.146) 10.663 3.594 ( 10.164 6.111 10.060) 15.551 4.088 ( 4.818 1.996 -4.027) 6.589 4.797 ( 5.943 -6.896 0.474) 9.115 5.202 ( -10.158 1.942 -4.262) 11.186 5.434 ( -6.716 -0.909 1.341) 6.909 5.726 ( 0.376 -1.203 3.697) 3.906 5.999 ( 11.667 20.096 -2.764) 23.401 7.150 ( 16.646 -1.696 -11.133) 20.097 7.767 ( 6.630 -5.513 -7.766) 11.604 8.088 ( -16.788 -5.401 22.428) 28.531 8.270 ( -11.423 2.667 9.417) 15.043 9.003 ( 15.206 17.206 -6.562) 23.881 10.006 ( -17.550 -12.516 0.553) 21.563 10.173 ( 8.222 5.348 8.977) 13.297 10.847 ( 10.639 -9.392 -4.512) 14.891 11.411 ( -3.715 -6.991 3.000) 8.466 12.080 ( -2.625 19.075 -0.316) 19.258 12.559 ( -12.177 11.520 -3.235) 17.072 13.212 ( -0.302 -3.159 -0.367) 3.194 14.907 ( 10.148 -12.787 -5.022) 17.080 15.647 ( -4.314 -2.268 10.738) 11.793 16.527 ( 2.866 12.253 -3.022) 12.942 16.627 ( 2.332 3.801 4.549) 6.371 ======================= Grid point 175 (96/172) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 4.189 -10.408 -2.076) 11.409 1.558 ( 4.965 -9.725 -3.379) 11.430 1.992 ( -8.183 11.971 -0.977) 14.534 2.354 ( 4.791 -1.716 -2.387) 5.621 2.578 ( -13.786 0.548 3.931) 14.346 3.044 ( -8.236 2.276 6.892) 10.978 3.590 ( 13.349 -0.108 -3.146) 13.715 3.936 ( 13.648 5.236 0.312) 14.621 4.135 ( -4.053 14.075 -1.140) 14.692 4.862 ( 7.895 -7.346 1.021) 10.832 5.044 ( -7.229 2.564 -1.542) 7.823 5.315 ( -8.973 0.954 2.251) 9.300 5.690 ( -0.648 -8.634 1.918) 8.868 6.274 ( 2.997 11.594 -3.545) 12.489 7.253 ( 0.566 1.118 -9.279) 9.363 7.679 ( -15.679 7.546 -4.013) 17.857 7.954 ( 10.285 -11.057 -2.458) 15.300 8.210 ( -11.091 -7.427 32.878) 35.484 9.391 ( 3.129 12.337 -15.020) 19.687 9.642 ( 2.086 -1.862 1.789) 3.319 10.402 ( 7.111 6.876 2.860) 10.297 10.944 ( 11.959 -8.182 -0.613) 14.503 11.299 ( -3.587 -5.394 -0.473) 6.495 12.156 ( -5.525 12.988 -0.950) 14.146 12.491 ( -8.916 11.632 0.967) 14.688 13.256 ( 5.827 4.175 -2.388) 7.556 14.940 ( 12.657 -15.466 -2.981) 20.206 15.599 ( -8.062 -2.463 12.215) 14.842 16.587 ( -0.157 4.507 -5.609) 7.197 16.759 ( 1.023 9.131 2.045) 9.413 ======================= Grid point 178 (97/172) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 13.037 -0.496 2.796) 13.342 1.662 ( 10.793 -5.999 -0.316) 12.352 1.869 ( -9.411 0.519 2.731) 9.813 2.104 ( -1.399 3.744 -3.950) 5.619 2.735 ( -7.594 12.775 4.894) 15.647 3.021 ( -5.640 1.810 5.876) 8.343 3.627 ( 2.597 -6.669 -8.195) 10.880 3.918 ( -1.147 -5.669 -14.603) 15.707 4.109 ( -2.337 -1.896 -3.947) 4.963 4.833 ( 7.333 3.506 -2.916) 8.635 5.071 ( -6.381 -4.952 5.497) 9.770 5.356 ( -4.984 -0.034 7.594) 9.083 5.660 ( -9.058 10.583 -1.281) 13.989 6.042 ( 0.983 6.969 -11.910) 13.834 6.745 ( 9.420 12.513 -8.256) 17.705 7.583 ( 5.883 -2.403 0.564) 6.379 8.037 ( -10.268 -13.200 18.587) 25.003 8.490 ( -3.153 11.245 5.792) 13.035 9.620 ( -10.002 13.046 -5.385) 17.299 9.980 ( 8.258 -9.879 -11.066) 16.978 10.436 ( 0.524 -21.604 6.054) 22.442 10.824 ( 8.942 7.788 -12.307) 17.090 11.420 ( 0.016 5.661 6.345) 8.503 11.901 ( -5.946 -6.206 -2.024) 8.830 12.487 ( -9.802 -5.509 5.374) 12.463 13.421 ( -1.036 -4.772 -4.370) 6.553 14.869 ( 13.949 -0.672 -3.139) 14.313 15.671 ( -10.337 8.557 8.396) 15.829 16.451 ( -1.106 2.226 -7.825) 8.210 16.776 ( -4.167 -1.509 -4.527) 6.335 ======================= Grid point 179 (98/172) ======================= q-point: ( 0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -1.263 -0.112 -0.532) 1.375 1.775 ( 5.553 -2.574 1.972) 6.430 1.852 ( 8.663 -2.699 5.987) 10.871 2.192 ( 7.516 5.021 -2.279) 9.322 2.727 ( -6.229 4.121 1.735) 7.667 2.976 ( -9.281 4.841 4.674) 11.464 3.408 ( -6.504 -11.094 -11.224) 17.069 3.656 ( -13.881 7.586 -11.069) 19.307 4.244 ( 15.346 -7.870 2.138) 17.379 4.968 ( 4.218 1.736 -2.611) 5.256 4.997 ( -0.865 2.804 3.048) 4.230 5.299 ( -5.394 -2.566 9.243) 11.005 5.637 ( -4.115 10.873 -2.817) 11.962 6.082 ( 6.057 2.609 -13.622) 15.134 7.004 ( 5.426 14.635 -0.521) 15.617 7.679 ( 5.075 -7.995 8.221) 12.541 7.989 ( 6.788 -3.091 8.404) 11.237 8.520 ( -11.241 11.808 6.797) 17.663 9.293 ( -8.198 -8.402 -29.674) 31.911 10.066 ( 2.478 -8.447 1.648) 8.956 10.241 ( -7.000 -12.958 10.336) 17.993 10.952 ( 6.160 7.141 -5.580) 10.958 11.424 ( -4.459 1.836 2.712) 5.532 11.761 ( -6.010 -1.126 -0.202) 6.117 12.340 ( -2.504 -6.774 1.802) 7.443 13.324 ( -0.412 -6.523 -1.465) 6.698 15.077 ( 9.591 7.002 -3.972) 12.522 15.638 ( -8.779 6.953 7.042) 13.229 16.388 ( -1.757 -0.689 -6.642) 6.905 16.665 ( -3.881 -1.542 -3.019) 5.153 ======================= Grid point 180 (99/172) ======================= q-point: ( 0.40 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -1.304 -2.506 0.085) 2.826 1.911 ( 8.940 2.100 -0.355) 9.190 1.999 ( 7.258 -5.941 4.305) 10.321 2.362 ( 5.625 6.103 0.504) 8.315 2.647 ( -1.036 -7.176 -2.757) 7.757 2.793 ( -15.489 0.847 1.473) 15.582 3.223 ( -4.126 1.454 -0.226) 4.381 3.469 ( -11.296 10.368 -8.271) 17.422 4.350 ( 4.313 -11.402 2.825) 12.513 4.934 ( -3.666 0.507 0.149) 3.704 5.161 ( 8.708 8.124 -3.038) 12.290 5.291 ( 0.034 -1.882 8.822) 9.021 5.679 ( -2.966 12.327 -2.503) 12.924 6.071 ( 2.323 -5.120 -7.916) 9.710 7.079 ( -10.054 7.357 1.318) 12.527 7.795 ( 14.703 -10.732 5.626) 19.053 8.189 ( 4.394 1.892 4.405) 6.504 8.521 ( -6.122 14.560 12.059) 19.872 8.903 ( -3.470 -7.983 -27.706) 29.041 9.744 ( -15.840 -27.102 11.231) 33.340 10.188 ( -3.115 1.413 -0.301) 3.433 11.092 ( 2.774 9.583 -2.439) 10.270 11.447 ( -0.340 10.344 -0.784) 10.379 11.663 ( -2.053 -3.944 -0.102) 4.447 12.317 ( 7.520 -6.634 -0.346) 10.033 13.277 ( 1.144 -3.806 0.462) 4.001 15.262 ( 3.971 11.408 -2.748) 12.389 15.603 ( -6.207 1.710 7.027) 9.530 16.289 ( -3.266 -2.696 -4.130) 5.915 16.577 ( -3.392 -0.565 -1.887) 3.923 ======================= Grid point 181 (100/172) ======================= q-point: (-0.50 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.910 -2.033 -0.064) 2.229 1.984 ( 0.119 -7.692 -0.373) 7.702 2.058 ( 4.786 -0.653 -3.849) 6.176 2.395 ( -12.226 -9.328 -5.024) 16.178 2.481 ( 1.934 6.197 -0.278) 6.498 2.792 ( 5.787 3.269 10.690) 12.588 3.232 ( -3.618 8.153 6.153) 10.836 3.367 ( -6.370 9.231 -5.532) 12.506 4.218 ( -5.575 -13.696 2.418) 14.983 4.869 ( -3.004 -0.882 -1.405) 3.432 5.343 ( 3.089 4.966 -0.908) 5.919 5.381 ( 7.919 2.652 0.483) 8.366 5.698 ( -6.140 9.473 -3.734) 11.890 5.988 ( -3.937 -3.165 4.514) 6.775 6.903 ( -10.541 0.695 -8.747) 13.715 7.851 ( -7.195 -0.413 5.899) 9.314 8.347 ( 9.089 9.389 3.410) 13.505 8.512 ( -1.138 -13.596 -8.470) 16.058 8.857 ( 1.386 8.195 8.654) 11.999 9.376 ( -6.728 -19.195 18.215) 27.304 10.120 ( -0.036 -3.668 -7.707) 8.535 11.165 ( -2.282 7.308 -3.103) 8.261 11.517 ( -6.329 15.023 -3.686) 16.713 11.666 ( 8.222 -5.842 1.769) 10.240 12.466 ( 15.074 -2.213 -0.835) 15.259 13.289 ( 2.294 -0.256 -0.055) 2.309 15.330 ( -7.247 6.322 -2.727) 9.996 15.586 ( 0.409 -1.496 7.668) 7.823 16.202 ( -3.414 1.691 -0.563) 3.851 16.521 ( -2.013 0.392 -0.270) 2.068 ======================= Grid point 182 (101/172) ======================= q-point: (-0.40 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 1.863 -3.944 -0.382) 4.379 1.828 ( -3.532 -14.513 -7.117) 16.545 2.009 ( -7.177 0.348 -2.729) 7.686 2.138 ( -4.485 -0.672 -0.821) 4.609 2.608 ( 5.360 9.176 -1.268) 10.702 3.052 ( 9.289 2.963 14.334) 17.336 3.300 ( -3.889 9.171 1.603) 10.089 3.377 ( -0.950 6.432 5.217) 8.337 4.002 ( -6.230 -9.322 1.593) 11.325 4.802 ( -1.331 -4.284 -1.214) 4.648 5.405 ( 2.514 4.773 -4.090) 6.769 5.502 ( 2.172 4.903 -4.728) 7.149 5.638 ( -5.037 5.147 -1.411) 7.338 5.943 ( -9.276 3.828 10.162) 14.282 6.695 ( -3.941 0.934 -12.857) 13.480 7.759 ( -9.095 7.144 1.055) 11.613 8.353 ( 4.587 -10.798 -6.596) 13.459 8.611 ( 2.452 11.927 8.801) 15.024 8.850 ( -12.142 -4.039 20.594) 24.246 9.514 ( 14.963 -5.319 20.195) 25.691 10.042 ( 6.094 -5.914 -12.436) 15.059 11.090 ( -8.331 -0.754 -3.384) 9.024 11.506 ( 0.117 -2.671 -1.143) 2.908 11.800 ( 4.318 11.035 -1.623) 11.960 12.712 ( 12.004 3.409 -0.594) 12.493 13.329 ( 1.455 0.939 -0.962) 1.981 15.116 ( -11.241 -8.477 -4.622) 14.818 15.672 ( 0.582 2.359 8.952) 9.276 16.225 ( -0.553 9.485 1.446) 9.611 16.518 ( 0.039 1.187 2.114) 2.424 ======================= Grid point 183 (102/172) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.450 -9.817 -2.326) 10.099 1.533 ( -0.566 -18.928 -10.635) 21.718 2.008 ( 0.888 10.176 2.175) 10.444 2.136 ( -0.479 6.058 -0.719) 6.119 2.811 ( 6.053 11.570 0.491) 13.067 3.306 ( -2.564 9.241 -1.805) 9.759 3.318 ( 8.839 -6.810 13.668) 17.645 3.409 ( -7.130 0.838 9.186) 11.658 3.938 ( 0.843 5.196 2.792) 5.958 4.715 ( -0.690 -7.350 -1.558) 7.545 5.484 ( -3.734 6.866 -7.254) 10.664 5.536 ( 4.187 4.564 -2.565) 6.704 5.631 ( 1.121 8.627 2.785) 9.135 5.885 ( -10.641 8.320 6.784) 15.116 6.652 ( 6.828 2.297 -11.937) 13.942 7.683 ( -5.621 3.694 -4.439) 8.058 8.379 ( 7.902 -6.808 5.917) 11.992 8.741 ( -11.022 9.357 -1.461) 14.531 8.765 ( -7.338 3.359 25.926) 27.154 9.844 ( 10.699 -0.394 15.121) 18.528 10.117 ( 16.333 -3.766 -4.551) 17.368 10.821 ( -13.212 -10.136 -5.356) 17.493 11.458 ( 1.026 -9.664 3.154) 10.218 12.000 ( 5.310 18.134 -6.774) 20.073 12.870 ( 0.351 7.361 -1.750) 7.574 13.308 ( -3.174 -2.883 0.920) 4.385 14.805 ( -5.704 -14.957 -6.158) 17.151 15.749 ( -1.904 2.208 10.281) 10.686 16.375 ( 3.516 14.159 0.079) 14.589 16.566 ( 1.397 0.699 4.618) 4.874 ======================= Grid point 184 (103/172) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 4.654 -16.777 -6.789) 18.688 1.395 ( 3.501 -13.346 -5.965) 15.031 2.158 ( -0.923 13.103 -0.688) 13.154 2.214 ( 2.567 7.402 1.516) 7.980 2.955 ( -4.050 7.115 1.867) 8.397 3.211 ( 0.534 -15.129 -0.194) 15.139 3.414 ( -3.110 8.032 7.140) 11.188 3.511 ( 7.265 3.537 5.285) 9.655 4.113 ( 2.829 14.383 5.932) 15.813 4.650 ( 3.118 -8.136 0.284) 8.717 5.361 ( -9.016 3.830 -7.293) 12.212 5.523 ( -3.186 1.212 -0.594) 3.460 5.829 ( -8.526 5.561 2.461) 10.472 6.025 ( 13.554 24.882 6.687) 29.113 6.798 ( 15.495 3.156 -8.353) 17.884 7.587 ( -0.759 -1.302 -7.430) 7.582 8.462 ( -8.044 -8.698 21.190) 24.277 8.558 ( -12.720 7.380 -3.776) 15.182 8.926 ( 5.754 9.988 9.897) 15.193 10.074 ( 4.957 4.770 -1.133) 6.972 10.265 ( -10.191 -3.537 10.575) 15.106 10.514 ( 9.608 -14.305 -4.857) 17.903 11.411 ( -0.050 -7.827 5.329) 9.469 12.204 ( 4.947 16.402 -10.429) 20.056 12.824 ( -10.801 8.478 -6.163) 15.051 13.225 ( -3.234 -3.545 5.058) 6.972 14.598 ( 4.798 -17.178 -5.348) 18.620 15.792 ( -4.052 1.234 12.409) 13.112 16.568 ( 2.727 11.158 -4.355) 12.285 16.645 ( 3.703 2.905 6.280) 7.847 ======================= Grid point 185 (104/172) ======================= q-point: (-0.10 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 5.473 -15.245 -4.356) 16.773 1.314 ( 7.899 -12.244 -5.786) 15.677 2.200 ( -3.754 5.838 0.063) 6.941 2.351 ( 0.205 11.982 -0.427) 11.991 2.838 ( -12.704 0.105 1.311) 12.772 3.118 ( 4.109 -12.232 1.542) 12.996 3.443 ( -3.643 0.206 7.349) 8.205 3.757 ( 12.135 9.583 -6.352) 16.716 4.346 ( 0.228 18.309 5.293) 19.060 4.663 ( 6.889 -9.524 2.615) 12.042 5.208 ( -8.296 5.612 -5.290) 11.327 5.461 ( -5.735 0.922 0.973) 5.889 5.736 ( -8.140 3.333 0.435) 8.806 6.393 ( -2.092 15.112 2.357) 15.437 7.112 ( 15.383 10.700 -4.492) 19.270 7.627 ( 12.979 -0.321 -2.688) 13.259 8.088 ( -26.615 0.034 -10.783) 28.716 8.534 ( -7.828 -10.200 35.852) 38.087 9.298 ( 16.667 20.861 -4.988) 27.163 9.724 ( -20.000 -16.537 1.579) 26.000 10.354 ( 6.510 9.339 -4.476) 12.232 10.644 ( 11.982 -10.297 3.776) 16.244 11.344 ( -4.893 -5.117 2.597) 7.541 12.305 ( -0.825 10.257 -10.442) 14.660 12.704 ( -5.571 8.172 -4.733) 10.965 13.228 ( 0.566 2.880 3.634) 4.671 14.548 ( 12.015 -18.385 -2.531) 22.108 15.802 ( -6.695 0.186 14.597) 16.060 16.601 ( -0.974 1.785 -2.673) 3.359 16.813 ( 3.893 9.433 -1.270) 10.283 ======================= Grid point 188 (105/172) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 18.713 -1.925 2.825) 19.023 1.348 ( 16.480 -8.024 -1.053) 18.359 2.125 ( -12.761 4.528 2.484) 13.766 2.247 ( -8.298 5.603 -1.646) 10.148 2.948 ( -3.622 0.992 2.364) 4.438 3.139 ( 5.768 -0.030 6.211) 8.477 3.426 ( 2.022 2.838 1.317) 3.725 3.741 ( -1.212 -6.512 -13.396) 14.945 4.292 ( -15.358 5.435 -9.074) 18.648 4.688 ( 9.547 0.683 -3.075) 10.054 5.196 ( -7.833 -4.241 7.880) 11.892 5.480 ( -4.274 1.235 3.068) 5.404 5.852 ( -9.771 -4.481 -0.909) 10.788 6.224 ( -15.901 21.184 -11.092) 28.717 6.733 ( 3.505 16.018 -2.644) 16.609 7.491 ( 2.049 -1.916 1.362) 3.119 8.211 ( -10.883 -15.378 20.403) 27.771 8.666 ( 0.557 15.183 0.908) 15.220 9.554 ( 2.729 -13.900 -34.875) 37.642 9.960 ( -8.647 13.481 7.499) 17.684 10.223 ( 4.449 -23.019 8.519) 24.945 10.659 ( 9.409 7.882 -13.269) 18.076 11.438 ( 6.139 2.044 3.854) 7.531 12.006 ( -6.097 3.358 6.233) 9.343 12.675 ( -11.432 -5.646 7.758) 14.925 13.359 ( -1.256 -3.492 -7.177) 8.080 14.543 ( 20.419 -3.078 0.108) 20.650 15.928 ( -8.659 4.234 0.760) 9.669 16.510 ( -4.559 5.157 -0.287) 6.889 16.780 ( -1.701 -1.162 -6.385) 6.709 ======================= Grid point 189 (106/172) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 12.340 -3.741 -1.406) 12.971 1.539 ( 14.648 -3.890 4.615) 15.843 1.952 ( -12.452 2.542 2.448) 12.942 2.216 ( -1.022 7.629 0.828) 7.741 2.820 ( -7.184 -6.095 -2.078) 9.648 3.275 ( -4.650 11.153 9.727) 15.512 3.322 ( -6.485 -9.592 -10.688) 15.758 3.760 ( 8.598 5.472 -5.798) 11.725 4.077 ( -7.594 2.836 -2.341) 8.437 4.845 ( 9.327 2.285 -3.214) 10.126 5.077 ( -5.433 -3.709 6.128) 8.991 5.409 ( -5.256 -2.624 3.065) 6.626 5.753 ( 0.856 -0.392 1.392) 1.680 6.087 ( -11.449 13.007 -10.813) 20.425 7.012 ( 9.604 15.884 1.505) 18.623 7.624 ( 4.171 1.283 6.281) 7.648 7.993 ( -6.753 -11.884 11.926) 18.140 8.808 ( -1.409 11.407 0.165) 11.495 9.076 ( -8.849 -9.238 -34.719) 37.001 9.957 ( -0.954 -17.350 3.278) 17.683 10.244 ( 3.736 2.445 6.291) 7.714 10.836 ( 11.037 6.835 -5.170) 13.974 11.437 ( -0.756 -7.788 0.607) 7.848 11.997 ( -11.171 8.212 7.027) 15.543 12.469 ( -12.932 -1.971 5.022) 14.013 13.252 ( -0.388 -4.443 -3.958) 5.964 14.868 ( 18.123 2.903 -1.071) 18.385 15.811 ( -6.148 0.293 -3.979) 7.329 16.467 ( -6.502 4.138 1.366) 7.828 16.707 ( -3.508 1.312 -2.793) 4.672 ======================= Grid point 190 (107/172) ======================= q-point: ( 0.40 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 1.129 -0.315 0.177) 1.185 1.737 ( 9.232 -3.281 0.505) 9.811 1.858 ( 2.242 -3.348 2.310) 4.644 2.367 ( 5.833 8.463 3.523) 10.866 2.599 ( -5.770 -10.045 -4.210) 12.326 2.997 ( -11.751 -5.035 -5.764) 14.024 3.395 ( -4.557 12.077 8.833) 15.641 3.736 ( -13.056 13.160 -8.919) 20.572 4.145 ( 10.014 -5.965 3.158) 12.076 4.951 ( 1.216 -2.168 1.002) 2.680 5.075 ( 6.001 3.014 -1.790) 6.950 5.315 ( -2.522 -5.628 2.785) 6.766 5.864 ( 7.843 2.365 2.479) 8.558 5.968 ( -9.651 12.111 -5.846) 16.552 7.331 ( 6.764 10.940 5.260) 13.896 7.476 ( -7.188 -19.711 5.397) 21.664 8.110 ( 10.777 1.635 7.560) 13.265 8.599 ( -0.018 -12.137 -36.253) 38.231 8.953 ( -9.577 21.469 10.589) 25.783 9.743 ( -5.446 -20.948 7.277) 22.835 10.302 ( -4.496 5.709 -3.021) 7.870 11.061 ( 8.149 7.446 -1.902) 11.201 11.399 ( 4.466 -3.541 2.389) 6.180 11.869 ( -13.118 5.598 1.519) 14.343 12.286 ( -8.431 -1.277 0.553) 8.545 13.227 ( 1.334 -0.532 -0.053) 1.437 15.182 ( 14.296 6.020 0.131) 15.512 15.677 ( -3.974 -4.886 -4.963) 8.018 16.402 ( -7.640 4.337 4.066) 9.680 16.639 ( -4.671 2.016 -1.797) 5.395 ======================= Grid point 191 (108/172) ======================= q-point: (-0.50 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -3.670 -0.949 -0.098) 3.792 1.845 ( 7.645 -5.247 -2.314) 9.556 1.912 ( 5.977 -3.576 -1.853) 7.208 2.384 ( -3.397 -7.715 -3.308) 9.055 2.578 ( 1.723 6.969 3.291) 7.897 2.820 ( -1.975 -0.911 3.884) 4.451 3.483 ( -6.788 12.978 10.458) 17.996 3.578 ( -11.810 10.292 -6.537) 16.974 4.164 ( -0.631 -8.194 -0.256) 8.222 4.900 ( -3.312 -2.729 -0.770) 4.360 5.238 ( 9.349 -1.091 -0.434) 9.422 5.300 ( 5.024 0.873 -1.565) 5.334 5.854 ( -4.008 2.694 -8.446) 9.729 6.091 ( -0.987 14.776 10.718) 18.281 7.102 ( -15.843 -7.907 0.828) 17.726 7.650 ( 18.385 -7.259 3.739) 20.117 8.211 ( 3.287 -15.280 -14.130) 21.070 8.412 ( 6.835 7.739 -5.999) 11.941 9.100 ( -7.163 14.286 17.512) 23.708 9.502 ( -10.566 -11.630 13.767) 20.891 10.177 ( -10.853 5.190 -7.234) 14.038 11.192 ( 2.663 5.557 -4.513) 7.638 11.510 ( 5.698 -5.350 3.077) 8.400 11.760 ( -7.290 13.671 -4.660) 16.179 12.238 ( 6.770 -1.977 0.398) 7.064 13.265 ( 1.326 2.988 0.228) 3.277 15.430 ( 0.127 3.490 -1.883) 3.967 15.517 ( 3.984 -8.789 0.163) 9.651 16.370 ( -7.005 8.163 5.874) 12.256 16.574 ( -3.590 1.698 -0.894) 4.071 ======================= Grid point 192 (109/172) ======================= q-point: (-0.40 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -0.674 -6.078 -1.935) 6.415 1.732 ( -5.674 -12.844 -6.461) 15.456 2.014 ( 6.052 3.737 -2.844) 7.661 2.245 ( -6.151 -1.842 -0.250) 6.425 2.636 ( -0.337 7.767 1.641) 7.946 2.973 ( 9.924 -1.230 11.992) 15.614 3.465 ( -6.648 5.475 -3.472) 9.285 3.573 ( -5.626 11.669 9.439) 16.029 4.043 ( -4.639 -1.889 0.083) 5.010 4.795 ( -3.952 -5.238 -0.123) 6.563 5.327 ( 7.273 -1.113 -2.950) 7.928 5.450 ( 6.302 6.002 -3.817) 9.503 5.760 ( -4.995 4.825 -5.797) 9.046 6.237 ( -7.161 13.676 9.825) 18.299 6.806 ( -13.454 -0.927 -1.173) 13.536 7.838 ( 8.025 -3.874 -1.364) 9.015 8.034 ( 8.138 -12.027 -15.232) 21.044 8.679 ( 11.834 9.229 6.956) 16.541 9.144 ( -9.528 -8.495 28.768) 31.473 9.453 ( -1.750 5.495 12.303) 13.587 9.996 ( -9.220 7.070 -9.725) 15.151 11.176 ( -5.205 1.004 -5.311) 7.504 11.459 ( -1.509 -8.631 -0.000) 8.762 11.837 ( 2.822 13.092 -6.193) 14.755 12.475 ( 17.285 2.135 1.699) 17.499 13.326 ( 1.171 5.286 -1.288) 5.565 15.150 ( -10.829 -16.075 -6.530) 20.453 15.703 ( 6.384 2.773 8.267) 10.807 16.409 ( -5.017 12.937 4.706) 14.652 16.550 ( -1.043 1.281 1.215) 2.050 ======================= Grid point 193 (110/172) ======================= q-point: (-0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -5.861 -16.055 -7.928) 18.841 1.404 ( -4.227 -13.614 -6.517) 15.674 2.143 ( 1.257 11.344 2.628) 11.712 2.188 ( -1.702 2.550 2.865) 4.196 2.783 ( 7.213 8.242 -1.344) 11.035 3.152 ( 4.974 -10.286 7.594) 13.719 3.432 ( 0.018 3.891 4.644) 6.059 3.594 ( -6.900 6.621 1.386) 9.663 4.072 ( -0.816 12.188 8.409) 14.830 4.667 ( -3.325 -8.089 0.099) 8.747 5.453 ( 7.754 2.202 -3.452) 8.769 5.527 ( 0.318 5.902 -5.680) 8.197 5.738 ( -0.987 10.878 -1.786) 11.068 6.245 ( -11.379 10.226 6.054) 16.454 6.643 ( -8.269 7.828 -0.758) 11.412 7.836 ( -4.215 5.144 -6.736) 9.466 8.091 ( 14.784 -4.805 -3.610) 15.959 8.923 ( -0.332 5.318 -1.712) 5.597 9.109 ( -6.746 -10.908 35.089) 37.360 9.671 ( 16.664 -3.555 13.555) 21.773 9.945 ( -2.109 17.103 -7.367) 18.742 10.956 ( -14.113 -4.388 -6.264) 16.052 11.356 ( 0.586 -9.174 -1.026) 9.250 11.991 ( 6.429 10.692 -6.552) 14.091 12.782 ( 13.828 2.201 0.974) 14.036 13.362 ( -2.257 4.055 -1.421) 4.853 14.733 ( -10.775 -20.807 -6.776) 24.392 15.859 ( 1.421 2.531 10.855) 11.237 16.506 ( -2.021 15.612 -0.577) 15.753 16.578 ( 1.112 -0.815 5.569) 5.737 ======================= Grid point 194 (111/172) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 1.734 -18.084 -8.701) 20.143 1.205 ( -1.015 -15.303 -5.214) 16.199 2.200 ( 1.225 -5.810 0.162) 5.940 2.325 ( 0.875 16.093 4.416) 16.711 2.931 ( 5.254 -4.893 -3.401) 7.944 3.109 ( 1.211 1.151 -0.374) 1.712 3.542 ( -4.484 9.340 -4.034) 11.118 3.577 ( 1.397 -0.208 14.644) 14.712 4.300 ( 1.330 15.886 12.672) 20.365 4.548 ( -0.741 -8.162 -0.130) 8.197 5.430 ( -3.051 -1.744 -6.990) 7.824 5.563 ( -0.475 3.420 -2.548) 4.291 5.992 ( 6.841 14.922 1.417) 16.476 6.224 ( -4.400 20.364 8.806) 22.618 6.670 ( 0.282 11.509 -1.785) 11.650 7.709 ( -13.123 8.312 -5.749) 16.563 8.341 ( 17.151 -1.191 0.503) 17.199 8.801 ( -12.125 5.491 -10.605) 17.019 9.117 ( -4.498 -12.732 31.821) 34.567 10.072 ( 22.781 -9.031 8.239) 25.854 10.133 ( 2.126 22.578 1.575) 22.732 10.558 ( -20.333 -6.698 -4.398) 21.855 11.301 ( 4.696 -9.740 -0.015) 10.812 12.146 ( 6.222 9.943 -10.714) 15.886 12.950 ( 1.571 3.482 -4.139) 5.632 13.298 ( -5.337 -1.557 3.754) 6.708 14.352 ( -2.938 -21.782 -6.103) 22.811 15.955 ( -2.119 2.839 12.432) 12.927 16.599 ( 0.745 5.674 -2.829) 6.384 16.661 ( 2.575 5.299 5.077) 7.777 ======================= Grid point 195 (112/172) ======================= q-point: (-0.10 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 9.530 -15.515 -4.500) 18.756 1.010 ( 3.228 -17.045 -7.064) 18.731 2.118 ( 6.692 -19.172 -2.072) 20.412 2.509 ( -0.833 16.502 1.782) 16.619 2.888 ( -1.081 -1.679 -3.135) 3.717 3.113 ( -7.669 2.645 1.108) 8.187 3.616 ( 1.231 2.299 2.030) 3.305 3.644 ( 1.580 6.775 3.369) 7.730 4.491 ( 3.360 -8.810 1.015) 9.484 4.559 ( 0.810 15.987 9.822) 18.780 5.302 ( -4.302 -0.183 -7.178) 8.370 5.548 ( -2.576 0.979 0.817) 2.874 6.002 ( -10.876 11.584 0.944) 15.918 6.651 ( -5.344 20.632 2.687) 21.481 6.929 ( 24.049 18.933 8.108) 31.663 7.550 ( -7.095 7.667 -5.821) 11.958 8.383 ( -15.069 2.183 -17.579) 23.256 8.676 ( 2.438 -6.124 18.002) 19.171 9.243 ( 8.288 2.977 15.690) 17.992 9.935 ( -21.884 -17.957 -5.041) 28.754 10.316 ( 5.485 11.133 -3.669) 12.942 10.499 ( 3.346 2.362 12.128) 12.801 11.319 ( 4.829 -8.308 1.976) 9.810 12.235 ( 5.078 7.990 -16.334) 18.879 12.817 ( -8.512 1.570 -8.314) 12.002 13.307 ( -0.213 0.768 8.116) 8.155 14.158 ( 8.307 -21.038 -3.646) 22.910 16.016 ( -4.812 2.612 14.645) 15.635 16.613 ( -0.711 -1.276 1.465) 2.069 16.798 ( 4.923 8.020 -4.891) 10.605 ======================= Grid point 229 (113/172) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -0.000 0.000 21.097) 21.097 0.906 ( -0.000 0.000 21.097) 21.097 1.189 ( -0.000 0.000 23.411) 23.411 2.923 ( 0.000 -0.000 -8.498) 8.498 2.969 ( 0.000 -0.000 -8.647) 8.647 2.969 ( 0.000 -0.000 -8.647) 8.647 3.664 ( -0.000 0.000 6.237) 6.237 3.664 ( -0.000 0.000 6.237) 6.237 4.111 ( 0.000 -0.000 -2.816) 2.816 5.174 ( -0.000 0.000 0.612) 0.612 5.174 ( 0.000 0.000 0.612) 0.612 5.178 ( 0.000 -0.000 -12.503) 12.503 6.549 ( -0.000 0.000 4.660) 4.660 6.756 ( 0.000 -0.000 -12.143) 12.143 6.756 ( 0.000 -0.000 -12.143) 12.143 8.159 ( 0.000 0.000 -3.274) 3.274 8.159 ( 0.000 0.000 -3.274) 3.274 9.107 ( 0.000 -0.000 -19.457) 19.457 9.387 ( -0.000 0.000 2.851) 2.851 9.387 ( -0.000 0.000 2.851) 2.851 10.447 ( -0.000 0.000 7.970) 7.970 10.447 ( -0.000 0.000 7.970) 7.970 12.507 ( 0.000 0.000 -4.435) 4.435 12.507 ( 0.000 0.000 -4.435) 4.435 12.831 ( -0.000 0.000 16.428) 16.428 13.379 ( -0.000 0.000 2.591) 2.591 13.379 ( -0.000 0.000 2.591) 2.591 14.464 ( -0.000 0.000 3.237) 3.237 16.513 ( -0.000 0.000 2.758) 2.758 17.447 ( 0.000 -0.000 -5.203) 5.203 ======================= Grid point 230 (114/172) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 4.064 -1.107 16.702) 17.225 1.145 ( 2.062 4.207 19.400) 19.958 1.530 ( 16.806 9.554 15.406) 24.719 2.735 ( -6.008 -5.316 -8.224) 11.489 2.851 ( -1.691 -1.420 -11.251) 11.465 3.030 ( 2.675 1.334 -6.717) 7.352 3.475 ( -10.500 -6.657 5.555) 13.617 3.903 ( 7.194 6.605 1.591) 9.896 4.139 ( 4.173 0.836 0.183) 4.260 4.969 ( -12.079 6.555 -6.515) 15.209 5.095 ( 6.259 -14.988 -1.633) 16.324 5.362 ( 3.833 7.489 -2.600) 8.805 6.444 ( -3.628 -7.259 -1.494) 8.252 6.703 ( 9.527 -10.609 -6.802) 15.799 6.981 ( 8.062 26.160 -12.662) 30.160 7.725 ( -31.824 1.929 -4.789) 32.240 8.209 ( 3.369 -6.356 -11.152) 13.270 8.729 ( -9.565 -26.886 -5.691) 29.098 9.356 ( -4.863 -3.155 12.684) 13.946 9.613 ( 11.200 6.423 -1.976) 13.061 10.383 ( -5.244 8.897 5.227) 11.575 10.754 ( 14.648 4.170 2.853) 15.495 11.953 ( -43.682 13.077 4.777) 45.847 12.304 ( 9.598 -34.153 -5.189) 35.854 13.127 ( -7.567 -9.738 9.777) 15.738 13.479 ( 2.548 19.470 4.934) 20.247 13.594 ( 22.685 3.507 5.941) 23.711 14.742 ( 17.197 11.521 -9.473) 22.765 16.536 ( 0.498 0.087 2.218) 2.274 17.333 ( -5.840 -3.996 -4.588) 8.433 ======================= Grid point 231 (115/172) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 6.446 1.099 10.450) 12.327 1.332 ( 2.542 3.390 15.662) 16.225 1.951 ( 10.929 6.429 2.710) 12.966 2.596 ( -0.141 -3.309 -4.056) 5.236 2.716 ( -0.327 -2.242 -9.921) 10.176 2.977 ( -5.841 -2.432 -1.459) 6.493 3.285 ( -6.597 -4.917 0.738) 8.261 4.020 ( 2.920 2.391 -5.536) 6.700 4.278 ( 8.358 3.695 4.370) 10.130 4.821 ( -9.421 9.032 -6.000) 14.365 5.075 ( 7.570 -14.968 2.222) 16.920 5.403 ( -2.759 4.547 -4.440) 6.928 6.285 ( -1.645 -11.594 -6.699) 13.491 6.642 ( -10.966 -4.284 -6.004) 13.216 7.084 ( -13.246 14.251 -7.896) 20.998 7.413 ( 0.165 12.118 -5.689) 13.388 8.064 ( 0.115 -9.110 -11.498) 14.670 8.335 ( -4.960 -26.300 6.294) 27.494 9.279 ( -8.676 -8.866 19.834) 23.393 9.853 ( 14.712 1.700 -4.933) 15.610 10.497 ( 1.699 14.733 1.507) 14.907 10.997 ( 8.117 3.221 -1.204) 8.816 11.491 ( -32.457 16.039 4.719) 36.510 12.157 ( 12.149 -25.182 -5.662) 28.527 12.908 ( -11.602 -10.514 5.794) 16.695 13.588 ( -1.459 6.634 0.391) 6.804 14.162 ( 21.333 12.670 12.876) 27.954 14.978 ( 8.868 8.626 -14.597) 19.134 16.556 ( 0.895 -0.421 0.151) 1.000 17.136 ( -7.184 -6.321 -5.558) 11.066 ======================= Grid point 232 (116/172) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 4.899 1.900 4.151) 6.696 1.523 ( 4.678 3.667 12.824) 14.134 2.050 ( 1.826 -0.923 -0.667) 2.152 2.438 ( -6.729 -4.549 -8.583) 11.817 2.735 ( -12.094 -2.201 1.170) 12.348 2.835 ( 6.520 -3.968 0.523) 7.650 3.227 ( 4.428 3.010 -5.098) 7.393 3.993 ( 1.741 -1.559 -12.388) 12.607 4.547 ( 11.631 6.408 8.373) 15.699 4.731 ( -8.838 8.294 -3.560) 12.632 5.025 ( 1.699 -14.858 -0.620) 14.968 5.346 ( -4.090 2.445 -0.805) 4.833 6.062 ( -10.414 -6.265 -6.306) 13.693 6.208 ( -20.753 1.171 -10.157) 23.134 7.046 ( -6.906 3.133 -5.323) 9.266 7.463 ( 12.194 -12.554 1.209) 17.543 7.950 ( -5.969 4.751 -9.639) 12.292 8.222 ( 5.823 -7.047 11.536) 14.718 9.207 ( -5.362 -8.500 19.912) 22.304 10.054 ( 13.819 -2.491 -6.544) 15.491 10.714 ( 6.859 13.232 -1.715) 15.003 11.027 ( -7.773 0.314 -1.155) 7.865 11.247 ( -12.136 11.511 -1.139) 16.766 12.147 ( 9.183 -9.281 -1.917) 13.196 12.617 ( -12.387 -12.031 1.346) 17.320 13.590 ( -2.931 2.666 -1.590) 4.269 14.699 ( 17.409 12.399 11.564) 24.301 15.054 ( 2.960 7.105 -10.270) 12.835 16.548 ( 0.292 -2.168 -3.077) 3.775 16.907 ( -6.294 -6.697 -7.518) 11.874 ======================= Grid point 233 (117/172) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 3.239 2.655 1.358) 4.403 1.713 ( 2.942 3.458 10.389) 11.338 2.042 ( -1.966 -5.533 2.425) 6.353 2.245 ( -4.446 -5.829 -3.975) 8.340 2.472 ( -10.797 -1.062 -0.472) 10.859 2.893 ( 3.189 -0.968 1.145) 3.524 3.407 ( 12.976 7.852 -9.196) 17.737 3.911 ( 2.572 -1.808 -16.453) 16.751 4.548 ( -15.264 -2.780 -2.519) 15.719 4.835 ( 7.827 -0.854 2.639) 8.304 4.936 ( 2.411 3.003 1.885) 4.287 5.308 ( -2.006 -2.375 4.076) 5.126 5.751 ( -19.046 5.855 0.630) 19.935 5.975 ( -0.429 -1.085 -13.849) 13.898 6.782 ( -7.436 -13.336 -7.083) 16.831 7.634 ( 7.665 -7.517 4.053) 11.475 7.898 ( 2.361 10.445 0.046) 10.709 8.401 ( 4.299 4.406 8.982) 10.889 9.215 ( 1.624 -7.055 14.762) 16.442 10.156 ( 7.419 -5.392 -7.321) 11.735 10.778 ( -8.640 -3.850 -11.632) 14.992 10.922 ( -0.810 8.660 2.191) 8.969 11.225 ( 0.805 4.712 -4.069) 6.278 12.199 ( -9.887 6.190 3.604) 12.209 12.364 ( 5.656 -11.953 -1.716) 13.335 13.528 ( -3.100 -1.309 -2.837) 4.401 15.006 ( 1.276 5.789 -4.547) 7.471 15.229 ( 11.595 10.710 10.249) 18.820 16.455 ( -2.157 -5.513 -8.148) 10.072 16.748 ( -0.538 -2.047 -6.966) 7.281 ======================= Grid point 234 (118/172) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -1.092 0.047 2.935) 3.132 1.744 ( -7.286 -8.534 5.191) 12.364 1.929 ( -2.956 1.114 1.360) 3.439 2.082 ( -5.316 2.135 -4.750) 7.442 2.510 ( 12.278 -0.370 3.768) 12.848 3.009 ( 6.440 4.558 3.704) 8.716 3.601 ( 7.241 6.468 -10.268) 14.131 3.823 ( 3.132 -3.570 -18.205) 18.814 4.194 ( -14.765 -5.030 -4.893) 16.348 4.816 ( -3.207 -1.392 -0.920) 3.615 5.145 ( 5.676 7.164 5.643) 10.742 5.323 ( 5.257 -4.014 4.750) 8.143 5.599 ( -4.792 1.897 2.477) 5.718 5.946 ( 0.662 10.777 -10.498) 15.059 6.550 ( -1.388 -9.860 -3.205) 10.460 7.609 ( -1.438 -2.494 0.275) 2.892 8.186 ( 11.483 9.117 5.498) 15.659 8.511 ( -3.614 3.861 9.897) 11.222 9.340 ( 11.591 -1.375 2.038) 11.849 10.054 ( -6.647 -6.918 -9.342) 13.391 10.519 ( 0.201 -11.285 -17.081) 20.474 10.867 ( -13.317 3.329 4.019) 14.303 11.327 ( 6.932 -0.073 2.826) 7.487 12.018 ( -7.535 0.756 -5.015) 9.083 12.542 ( 9.446 6.070 5.675) 12.581 13.438 ( -1.915 -3.284 -3.547) 5.200 14.950 ( -9.143 0.808 -0.689) 9.205 15.592 ( 10.853 8.448 8.946) 16.407 16.334 ( 2.035 -2.686 -9.397) 9.983 16.725 ( 2.851 0.653 -7.203) 7.774 ======================= Grid point 235 (119/172) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -16.527 -10.435 5.676) 20.353 1.489 ( -12.014 -7.967 -0.559) 14.427 2.045 ( 9.631 7.513 -0.457) 12.224 2.138 ( 6.216 5.572 -1.737) 8.526 2.783 ( 15.216 -1.066 3.127) 15.570 3.201 ( 3.016 4.715 6.543) 8.611 3.506 ( -12.601 -4.638 -3.731) 13.936 3.674 ( 1.948 -2.778 -16.212) 16.564 4.106 ( 8.883 6.710 -12.624) 16.832 4.707 ( -6.590 -3.009 -0.310) 7.251 5.330 ( 2.625 8.012 7.108) 11.028 5.454 ( 6.591 -1.743 5.367) 8.676 5.676 ( 14.443 -0.504 -0.936) 14.482 6.032 ( 0.681 16.102 -7.622) 17.828 6.514 ( 5.234 -2.119 -0.020) 5.647 7.598 ( -2.367 5.504 3.307) 6.843 8.374 ( 7.510 -13.119 1.035) 15.152 8.597 ( -2.909 16.683 12.052) 20.786 9.508 ( 2.248 10.804 -35.405) 37.085 9.796 ( 0.966 -9.492 10.635) 14.287 10.319 ( 6.143 -21.093 -15.321) 26.784 10.690 ( -16.898 7.669 6.856) 19.783 11.405 ( 0.471 -7.092 7.725) 10.498 11.967 ( 4.026 3.112 -4.249) 6.630 12.790 ( 6.359 7.411 5.808) 11.362 13.360 ( -1.446 -1.794 -3.906) 4.535 14.709 ( -17.405 -4.632 3.060) 18.269 15.858 ( 7.642 6.175 1.277) 9.908 16.381 ( 8.680 2.411 -2.844) 9.447 16.719 ( 1.765 -0.268 -9.010) 9.185 ======================= Grid point 240 (120/172) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -3.117 4.768 17.286) 18.200 1.298 ( 2.455 7.314 18.621) 20.156 1.575 ( 0.280 11.616 11.996) 16.701 2.647 ( -1.759 -11.676 -8.193) 14.372 2.765 ( 0.290 -1.070 -11.218) 11.273 3.018 ( -0.239 7.251 -9.078) 11.621 3.562 ( -1.524 -9.929 5.891) 11.645 3.820 ( 2.248 -1.721 1.516) 3.212 4.165 ( -0.745 6.089 2.085) 6.479 4.844 ( 4.409 -12.840 -2.709) 13.844 5.151 ( -8.595 3.312 -6.601) 11.332 5.375 ( 4.217 10.717 -1.062) 11.566 6.431 ( -13.883 -12.339 -5.373) 19.336 6.553 ( 4.919 -2.270 3.075) 6.230 6.982 ( 9.500 20.623 -9.421) 24.582 7.633 ( 14.172 -29.552 -9.130) 34.022 8.121 ( -4.868 0.265 -13.710) 14.551 8.858 ( -22.656 4.280 -13.652) 26.795 9.393 ( 6.954 -2.360 11.276) 13.457 9.631 ( -0.019 7.892 6.454) 10.196 10.390 ( 5.932 -5.648 5.864) 10.073 10.755 ( -1.712 10.598 2.652) 11.058 11.595 ( 9.140 -53.232 0.775) 54.017 12.640 ( -10.604 6.555 -3.884) 13.058 13.226 ( -7.331 -5.438 7.830) 12.026 13.360 ( 11.280 -0.230 5.388) 12.503 13.716 ( -0.869 29.142 7.352) 30.068 14.698 ( 1.239 17.459 -7.098) 18.888 16.545 ( -0.141 -0.939 2.395) 2.577 17.282 ( -0.601 -8.886 -5.110) 10.268 ======================= Grid point 241 (121/172) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -2.194 7.897 12.164) 14.668 1.456 ( -0.881 3.048 15.254) 15.580 1.885 ( 9.868 10.727 4.925) 15.385 2.475 ( 2.073 -10.185 -2.828) 10.772 2.653 ( -2.643 -1.102 -12.834) 13.149 3.018 ( -0.807 4.569 -6.174) 7.723 3.371 ( -9.655 -10.633 3.892) 14.880 3.861 ( 5.877 -8.425 -4.553) 11.236 4.273 ( 3.955 6.016 5.482) 9.050 4.839 ( 6.954 -11.005 4.647) 13.823 5.007 ( -7.940 8.841 -8.995) 14.904 5.469 ( -1.566 7.119 -4.162) 8.394 6.104 ( -5.025 -15.723 -5.359) 17.355 6.666 ( 6.374 -2.744 6.118) 9.251 7.220 ( 2.935 11.611 -13.970) 18.401 7.497 ( 4.362 -19.169 -2.294) 19.792 7.888 ( -10.893 5.456 -16.717) 20.685 8.413 ( -17.822 -0.241 -2.381) 17.982 9.468 ( -2.696 -7.111 11.823) 14.058 9.711 ( -0.599 -2.731 12.939) 13.238 10.509 ( 7.213 7.393 -7.153) 12.564 10.911 ( 5.698 4.316 1.807) 7.373 11.327 ( 16.165 -41.847 -1.633) 44.890 12.353 ( -24.523 11.391 -1.172) 27.065 13.060 ( -10.998 -9.724 8.577) 17.002 13.524 ( 8.445 -3.437 -1.340) 9.216 14.173 ( 10.684 26.049 12.150) 30.665 14.881 ( 6.438 15.727 -12.168) 20.900 16.542 ( -0.028 -2.283 1.453) 2.706 17.098 ( -4.188 -12.080 -5.630) 13.970 ======================= Grid point 242 (122/172) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -0.677 6.885 5.997) 9.156 1.590 ( 2.141 3.443 12.482) 13.124 2.034 ( 0.961 3.001 -1.417) 3.456 2.445 ( -4.476 -3.446 -6.144) 8.345 2.615 ( 12.206 -1.477 -0.283) 12.299 2.933 ( -10.546 -2.780 -0.341) 10.911 3.184 ( -1.486 -2.344 -3.552) 4.508 3.785 ( 3.865 -11.901 -10.024) 16.033 4.480 ( 9.168 2.052 8.114) 12.414 4.863 ( 2.209 -6.303 4.982) 8.332 4.947 ( -5.964 10.309 -7.278) 13.957 5.437 ( -3.820 4.315 -3.889) 6.952 5.862 ( -1.451 -14.235 -7.115) 15.980 6.648 ( -8.985 -5.150 -5.925) 11.931 7.069 ( -9.560 -9.206 -4.240) 13.932 7.388 ( -5.822 9.137 4.183) 11.614 7.873 ( 10.539 6.308 -14.935) 19.337 8.229 ( -6.954 -0.625 8.574) 11.057 9.399 ( -5.266 -8.634 15.226) 18.279 9.775 ( 7.040 -8.851 6.338) 12.964 10.666 ( 7.501 9.501 -8.186) 14.613 10.938 ( 5.727 -14.616 -3.087) 15.999 11.308 ( 8.114 -9.014 -3.614) 12.654 12.116 ( -12.695 8.850 -0.965) 15.505 12.789 ( -14.915 -11.325 7.022) 20.001 13.569 ( 2.739 -3.455 -2.922) 5.289 14.669 ( 12.807 18.088 9.183) 23.990 15.038 ( 4.349 15.114 -9.411) 18.328 16.512 ( -0.847 -4.121 -0.129) 4.209 16.853 ( -4.785 -12.149 -7.243) 14.931 ======================= Grid point 243 (123/172) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.505 5.302 2.281) 5.794 1.762 ( 4.134 4.137 10.637) 12.139 2.057 ( -1.414 0.009 2.959) 3.280 2.274 ( -6.672 -1.282 -4.560) 8.183 2.665 ( -13.494 -4.376 -0.355) 14.190 2.787 ( 8.181 -3.377 1.321) 8.948 3.236 ( 8.354 7.193 -8.113) 13.687 3.660 ( 4.916 -11.760 -13.257) 18.390 4.620 ( 2.896 -12.098 3.374) 12.889 4.844 ( -9.141 9.569 -4.841) 14.090 4.944 ( 4.720 4.932 6.683) 9.554 5.403 ( -4.005 3.124 0.221) 5.084 5.694 ( 1.285 -8.381 -8.810) 12.228 6.309 ( -17.329 1.989 -9.196) 19.718 6.764 ( -13.092 -5.721 -0.442) 14.294 7.536 ( 4.282 2.250 8.076) 9.414 7.980 ( 3.310 14.988 -10.622) 18.666 8.304 ( 7.581 -3.643 11.837) 14.521 9.350 ( -4.850 -5.220 14.886) 16.504 9.844 ( 10.634 -13.774 0.699) 17.415 10.730 ( -0.009 -10.995 -7.191) 13.138 10.916 ( 6.530 6.364 -8.555) 12.503 11.268 ( -3.893 3.908 -7.305) 9.153 12.094 ( 6.121 -5.605 -1.093) 8.371 12.478 ( -14.309 -6.538 6.832) 17.151 13.515 ( -1.677 -5.018 -2.650) 5.917 15.004 ( 6.610 11.262 -3.415) 13.497 15.270 ( 7.099 16.933 5.530) 19.175 16.401 ( -4.254 -8.412 -3.429) 10.031 16.662 ( -0.125 -5.728 -7.202) 9.203 ======================= Grid point 244 (124/172) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 1.425 2.755 0.481) 3.138 1.871 ( -5.634 -1.464 8.668) 10.442 1.979 ( -5.105 -4.633 3.317) 7.651 2.195 ( -3.213 6.007 -0.575) 6.836 2.457 ( -5.429 0.087 -0.508) 5.454 2.930 ( 10.080 3.117 1.816) 10.707 3.427 ( 11.209 7.081 -10.201) 16.729 3.546 ( 5.731 -10.296 -15.166) 19.205 4.378 ( -14.864 -7.452 -3.120) 16.917 4.831 ( -0.171 1.695 -0.028) 1.704 5.147 ( 5.817 5.956 5.616) 10.043 5.348 ( -4.668 0.045 4.148) 6.245 5.616 ( 0.514 -2.018 -5.267) 5.663 6.095 ( -6.539 8.666 -7.212) 13.033 6.566 ( -8.682 2.760 1.541) 9.240 7.615 ( 0.506 1.867 3.917) 4.369 8.174 ( 3.643 11.116 2.024) 11.871 8.480 ( 11.543 -3.294 2.515) 12.265 9.341 ( -3.108 1.421 8.898) 9.532 9.849 ( 8.230 -18.196 -1.257) 20.010 10.412 ( -12.244 -9.368 -19.528) 24.880 11.025 ( 0.135 5.140 -2.645) 5.782 11.260 ( 3.681 5.042 -1.585) 6.441 12.017 ( -1.588 -13.464 -4.396) 14.252 12.445 ( 6.957 0.870 7.539) 10.295 13.404 ( -2.386 -5.872 -2.021) 6.652 15.115 ( -3.163 9.187 -1.447) 9.823 15.589 ( 7.603 11.231 6.414) 15.003 16.229 ( -1.128 -5.174 -6.298) 8.228 16.619 ( 3.073 -1.298 -6.461) 7.272 ======================= Grid point 245 (125/172) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -4.436 -5.166 -0.049) 6.810 1.657 ( -18.244 -3.576 8.222) 20.329 1.978 ( 3.933 2.737 1.095) 4.915 2.159 ( -4.078 6.898 -2.840) 8.501 2.568 ( 11.590 1.788 2.694) 12.032 3.196 ( 10.581 8.973 4.169) 14.486 3.398 ( 2.755 -13.189 -14.674) 19.922 3.581 ( 4.640 5.810 -10.745) 13.067 4.066 ( -9.636 -0.904 -5.124) 10.951 4.800 ( -4.901 -0.345 -0.598) 4.949 5.299 ( 5.282 1.410 5.258) 7.585 5.392 ( 4.733 1.688 6.080) 7.888 5.611 ( 1.007 2.314 1.183) 2.787 6.121 ( 1.594 11.384 -6.574) 13.242 6.540 ( -3.727 10.394 1.294) 11.118 7.698 ( 0.624 6.734 5.939) 9.000 8.207 ( -1.096 -11.127 3.614) 11.751 8.712 ( 11.673 8.474 -1.690) 14.524 9.374 ( -0.330 9.481 -16.517) 19.048 9.773 ( 3.337 -16.127 7.050) 17.914 9.962 ( -8.055 -13.502 -21.171) 26.370 11.002 ( -7.558 5.010 4.531) 10.136 11.397 ( 2.706 0.487 7.360) 7.857 11.873 ( 2.236 -3.351 -7.536) 8.546 12.660 ( 12.906 -4.496 4.032) 14.249 13.326 ( 0.323 -3.053 -0.557) 3.120 15.026 ( -15.898 3.533 3.862) 16.737 15.796 ( 6.251 4.139 -1.750) 7.699 16.254 ( 7.793 5.319 -2.627) 9.794 16.616 ( 2.502 -0.768 -7.176) 7.638 ======================= Grid point 250 (126/172) ======================= q-point: ( 0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.513 8.057 13.430) 15.669 1.428 ( 2.598 4.709 16.940) 17.773 1.856 ( -10.282 9.645 1.879) 14.222 2.518 ( -1.847 -8.808 -7.423) 11.665 2.680 ( 0.115 1.952 -10.259) 10.443 3.007 ( 1.682 2.985 -6.872) 7.679 3.418 ( 9.754 -7.846 5.425) 13.643 3.834 ( -7.369 -9.263 -3.226) 12.268 4.272 ( -3.971 4.928 3.478) 7.221 4.689 ( 1.526 -5.990 -0.487) 6.200 5.251 ( -4.989 2.426 -4.498) 7.142 5.375 ( 6.773 8.902 -2.552) 11.473 6.360 ( 6.921 -14.211 -0.583) 15.817 6.639 ( -18.786 -13.405 -5.684) 23.768 6.820 ( 19.916 3.731 -11.033) 23.072 7.229 ( -3.061 -3.794 1.655) 5.148 8.023 ( 1.936 -2.565 -12.849) 13.245 9.002 ( 19.783 18.667 -4.231) 27.527 9.438 ( -11.824 -4.201 10.337) 16.257 9.693 ( 1.999 5.232 -3.257) 6.479 10.381 ( -4.883 -6.297 15.772) 17.670 10.885 ( -4.964 -2.796 -3.754) 6.823 11.074 ( -2.743 -38.098 3.437) 38.351 12.566 ( 13.529 6.544 -8.512) 17.272 13.150 ( 13.080 -1.687 4.213) 13.845 13.394 ( -9.260 -8.930 4.143) 13.515 14.158 ( -10.308 23.930 11.763) 28.588 14.827 ( -4.539 12.644 -11.671) 17.796 16.552 ( -0.544 -1.310 0.960) 1.713 17.135 ( 2.835 -9.663 -5.463) 11.456 ======================= Grid point 251 (127/172) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -1.379 6.268 14.100) 15.492 1.621 ( -2.938 3.308 10.542) 11.433 1.905 ( 3.585 13.144 1.601) 13.718 2.340 ( -1.115 -9.833 -3.398) 10.463 2.605 ( -2.066 1.194 -12.078) 12.311 3.010 ( 1.107 3.969 -7.291) 8.374 3.419 ( -4.569 -12.623 5.347) 14.450 3.647 ( 2.943 -13.017 -4.713) 14.153 4.296 ( 0.750 1.392 4.774) 5.029 4.729 ( 3.655 -1.171 6.670) 7.696 5.135 ( -5.976 5.491 -8.359) 11.650 5.513 ( 1.645 6.997 -4.888) 8.692 6.114 ( -13.909 -14.110 -1.579) 19.876 6.414 ( 10.868 -21.357 -0.615) 23.971 7.146 ( 16.098 -1.586 0.625) 16.188 7.189 ( 2.083 7.832 -7.282) 10.895 7.941 ( -2.618 2.306 -11.481) 12.000 8.874 ( -28.624 10.977 -11.095) 32.602 9.383 ( 4.608 -10.299 3.247) 11.741 9.891 ( -2.894 -7.115 23.127) 24.369 10.348 ( 8.405 -4.690 0.760) 9.655 10.744 ( 6.921 -26.756 2.509) 27.751 10.914 ( 1.747 6.021 -2.975) 6.939 12.614 ( -2.276 0.162 -8.233) 8.543 13.176 ( -9.092 -11.732 5.658) 15.884 13.339 ( 8.401 -2.026 1.746) 8.816 14.401 ( 1.066 22.820 10.591) 25.181 14.886 ( 2.614 17.313 -11.672) 21.043 16.528 ( -0.426 -3.405 1.363) 3.693 16.986 ( -2.060 -13.915 -5.071) 14.953 ======================= Grid point 252 (128/172) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -5.584 5.152 4.391) 8.775 1.675 ( 1.141 3.492 11.001) 11.599 2.046 ( 0.552 5.080 -2.475) 5.678 2.377 ( 10.159 -3.874 9.604) 14.507 2.482 ( -3.200 2.401 -13.363) 13.949 3.021 ( -1.073 3.298 -5.028) 6.108 3.186 ( -7.742 -11.574 1.924) 14.057 3.539 ( 3.055 -14.419 -6.541) 16.126 4.386 ( 5.634 -3.917 6.918) 9.744 4.832 ( 2.664 -0.803 8.799) 9.228 5.080 ( -2.911 12.082 -10.342) 16.168 5.500 ( -3.538 2.227 -5.074) 6.574 5.801 ( -7.830 -10.607 -0.397) 13.190 6.341 ( 9.045 -25.048 -7.258) 27.602 7.205 ( 0.638 3.896 5.455) 6.734 7.485 ( 14.024 5.348 -0.642) 15.023 7.775 ( -11.073 7.047 -15.238) 20.111 8.532 ( -17.654 9.548 1.428) 20.121 9.274 ( 2.022 -19.358 -1.744) 19.542 9.819 ( -4.524 -17.771 26.981) 32.623 10.499 ( 7.028 -9.890 5.356) 13.262 10.701 ( 6.081 7.001 -12.682) 15.711 11.088 ( 11.943 2.246 0.057) 12.153 12.432 ( -15.340 4.473 -7.291) 17.563 12.904 ( -9.394 -18.827 4.966) 21.618 13.447 ( 5.508 -0.863 -0.755) 5.626 14.707 ( 6.931 13.903 3.687) 15.967 15.072 ( 5.247 20.113 -6.366) 21.739 16.488 ( -0.907 -5.475 1.901) 5.866 16.754 ( -4.022 -14.106 -5.506) 15.668 ======================= Grid point 253 (129/172) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -2.170 2.659 2.775) 4.414 1.813 ( 2.353 4.315 9.049) 10.297 2.094 ( 1.219 3.303 0.558) 3.564 2.365 ( -4.887 5.114 -5.252) 8.810 2.588 ( 10.495 -4.607 2.671) 11.769 2.826 ( -12.468 -9.013 2.914) 15.658 3.149 ( 4.490 6.629 -7.240) 10.795 3.394 ( 2.600 -13.131 -8.316) 15.759 4.466 ( 5.424 -10.154 7.410) 13.690 4.944 ( 4.442 3.096 4.913) 7.311 5.059 ( -7.746 10.017 -7.527) 14.731 5.446 ( 0.511 2.049 -3.368) 3.976 5.617 ( -4.769 -5.500 -1.743) 7.486 6.171 ( 4.575 -18.995 -8.635) 21.362 7.195 ( -18.769 11.718 1.116) 22.155 7.593 ( -1.102 4.332 5.397) 7.008 7.800 ( 15.802 4.439 -8.476) 18.473 8.445 ( -9.025 6.515 10.049) 14.996 9.165 ( 11.783 -19.523 -5.968) 23.571 9.782 ( -3.823 -12.146 23.576) 26.795 10.487 ( 5.001 -14.470 1.543) 15.387 10.858 ( 5.482 16.971 -10.282) 20.587 11.258 ( 5.128 2.265 -4.311) 7.072 12.112 ( -15.415 -1.541 -9.422) 18.132 12.608 ( -8.300 -16.683 6.498) 19.734 13.474 ( -0.019 -2.622 -1.122) 2.852 14.948 ( 8.855 10.402 -4.700) 14.446 15.354 ( 6.746 18.080 1.872) 19.388 16.380 ( -4.798 -10.974 1.218) 12.039 16.568 ( -0.550 -5.494 -4.773) 7.299 ======================= Grid point 254 (130/172) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -0.996 0.286 0.847) 1.338 1.925 ( 1.394 -1.322 6.517) 6.794 2.100 ( -5.490 0.303 2.462) 6.025 2.331 ( -4.830 8.024 1.860) 9.549 2.581 ( -9.329 -4.123 -0.638) 10.220 2.748 ( 13.046 -0.051 0.152) 13.047 3.254 ( 5.150 -2.802 -6.728) 8.924 3.309 ( 6.005 3.138 -10.026) 12.101 4.445 ( -2.761 -9.869 4.868) 11.346 4.930 ( -8.308 5.895 -4.070) 10.970 5.110 ( 7.375 2.046 3.471) 8.404 5.452 ( -4.848 0.163 0.105) 4.852 5.546 ( 3.754 2.287 -3.360) 5.533 6.056 ( 3.583 -8.075 -5.079) 10.190 6.960 ( -21.184 17.292 -1.965) 27.417 7.695 ( 0.213 3.054 11.223) 11.633 8.101 ( 18.788 6.172 -5.565) 20.544 8.405 ( -7.876 -3.376 10.233) 13.347 9.187 ( 15.759 -13.320 -12.633) 24.194 9.765 ( -5.682 -5.965 20.830) 22.400 10.363 ( -5.186 -10.607 -9.778) 15.330 11.031 ( 2.769 12.899 -7.704) 15.277 11.256 ( 0.424 4.976 -4.630) 6.810 11.857 ( -1.543 -11.558 -3.489) 12.171 12.426 ( -2.383 -9.584 5.654) 11.380 13.392 ( -3.578 -4.775 -0.962) 6.044 15.158 ( 7.349 10.402 -4.268) 13.433 15.619 ( 4.988 9.545 2.562) 11.070 16.198 ( -4.114 -6.012 -0.446) 7.299 16.534 ( 1.676 -0.535 -2.999) 3.477 ======================= Grid point 255 (131/172) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -1.710 -2.269 -0.382) 2.867 1.938 ( -11.222 -3.774 4.177) 12.555 1.950 ( 0.771 -3.240 5.857) 6.737 2.351 ( -10.700 4.985 -0.456) 11.813 2.478 ( 4.956 4.757 0.323) 6.877 2.990 ( 13.313 -2.519 -6.849) 15.182 3.253 ( 4.118 3.409 0.894) 5.420 3.445 ( 7.882 8.787 -11.523) 16.496 4.239 ( -13.020 -5.058 0.338) 13.972 4.863 ( -3.597 1.899 -0.398) 4.087 5.278 ( 7.516 1.044 3.482) 8.349 5.367 ( -2.061 -4.168 2.913) 5.487 5.643 ( 1.848 6.759 1.463) 7.158 6.080 ( 6.255 3.159 -5.114) 8.675 6.834 ( -13.201 17.218 -0.726) 21.708 7.805 ( -0.105 3.021 10.713) 11.132 8.234 ( -8.953 -13.871 8.822) 18.718 8.441 ( 18.456 5.850 -7.059) 20.608 9.224 ( 11.614 -5.924 -17.153) 21.545 9.723 ( -10.976 0.951 0.002) 11.017 9.992 ( -11.920 -6.168 -7.725) 15.486 11.104 ( 1.741 3.683 1.625) 4.386 11.425 ( 5.634 10.399 4.607) 12.693 11.730 ( 1.609 -9.489 -4.251) 10.522 12.418 ( 7.847 -10.051 3.403) 13.198 13.297 ( -1.041 -3.182 -0.475) 3.382 15.289 ( -3.931 7.789 1.628) 8.875 15.694 ( 2.921 -3.476 -2.969) 5.425 16.207 ( 4.210 8.119 -0.702) 9.173 16.546 ( 1.405 0.839 -3.159) 3.557 ======================= Grid point 260 (132/172) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 4.138 8.108 7.124) 11.559 1.585 ( -2.478 3.548 15.043) 15.653 2.038 ( -4.482 6.106 -2.238) 7.898 2.396 ( 1.564 -5.722 -10.288) 11.876 2.714 ( -3.740 -0.253 -2.895) 4.736 2.928 ( 4.281 1.348 -2.132) 4.968 3.227 ( 6.801 -3.578 0.680) 7.714 3.787 ( -6.545 -13.156 -11.477) 18.645 4.480 ( -10.495 3.918 8.269) 13.924 4.651 ( 1.220 1.375 0.388) 1.879 5.225 ( 6.899 -2.106 -7.315) 10.273 5.351 ( 1.802 7.822 1.122) 8.105 5.955 ( 10.835 -28.976 -2.263) 31.019 6.391 ( 15.463 2.888 -10.758) 19.057 6.843 ( -10.220 -3.786 -2.312) 11.141 7.486 ( -15.045 8.069 4.465) 17.646 7.877 ( 4.368 0.622 -9.210) 10.213 8.698 ( 27.223 8.743 5.578) 29.132 9.502 ( 12.312 0.699 13.032) 17.942 9.839 ( -20.638 1.868 -11.769) 23.831 10.589 ( -9.654 -3.173 16.525) 19.399 10.743 ( -7.818 -27.167 -1.132) 28.293 11.046 ( -5.825 -1.155 -5.064) 7.804 12.315 ( 11.208 -0.754 -9.299) 14.582 12.897 ( 17.616 -1.108 2.070) 17.772 13.459 ( -6.287 -7.557 1.098) 9.891 14.629 ( -12.605 15.433 10.838) 22.683 14.925 ( -4.181 9.351 -8.867) 13.548 16.545 ( -0.098 -1.227 -1.582) 2.005 16.931 ( 5.549 -8.451 -7.291) 12.465 ======================= Grid point 261 (133/172) ======================= q-point: ( 0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 0.971 1.767 6.435) 6.744 1.728 ( 1.311 5.512 12.100) 13.361 2.028 ( -2.972 12.067 -1.667) 12.539 2.276 ( -1.797 -4.990 -5.310) 7.505 2.607 ( -4.646 0.595 -6.619) 8.109 2.964 ( 2.279 1.478 -4.952) 5.648 3.324 ( 7.137 -8.118 4.152) 11.579 3.458 ( -4.380 -18.276 -8.456) 20.609 4.402 ( -7.387 0.694 8.199) 11.057 4.739 ( 2.659 4.206 4.058) 6.421 5.190 ( -1.784 1.630 -7.224) 7.617 5.478 ( 4.400 4.180 -4.041) 7.291 5.899 ( 13.014 -21.625 -3.683) 25.507 6.281 ( -13.031 -14.917 0.897) 19.827 6.900 ( 14.121 9.308 -6.295) 18.046 7.319 ( -12.682 2.388 4.083) 13.535 7.942 ( 2.146 8.612 -4.255) 9.843 9.095 ( 11.021 -1.461 -5.946) 12.607 9.336 ( -17.809 -8.322 -12.107) 23.087 9.889 ( 8.916 -1.163 21.743) 23.529 10.213 ( -5.051 -24.582 12.298) 27.947 10.680 ( -5.142 3.095 6.507) 8.852 10.929 ( -2.251 3.994 -8.598) 9.744 12.405 ( 12.528 -5.255 -10.743) 17.320 13.095 ( 6.858 -12.229 -1.178) 14.070 13.319 ( -3.337 -1.132 5.356) 6.411 14.683 ( -5.527 13.609 5.868) 15.817 14.978 ( -0.480 18.444 -4.952) 19.103 16.507 ( -0.585 -3.766 -0.088) 3.812 16.830 ( 0.588 -12.910 -6.091) 14.287 ======================= Grid point 262 (134/172) ======================= q-point: ( 0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -0.819 -2.716 -1.191) 3.076 1.818 ( -2.951 5.897 9.142) 11.272 2.092 ( -2.451 4.120 -1.862) 5.143 2.283 ( 5.862 3.218 3.918) 7.750 2.496 ( -3.763 0.799 -5.316) 6.562 2.992 ( 2.955 2.573 -5.457) 6.718 3.179 ( -4.027 -15.316 -1.519) 15.909 3.343 ( 2.125 -10.027 1.258) 10.327 4.361 ( -2.239 -4.395 8.460) 9.793 4.844 ( 2.550 0.669 5.203) 5.832 5.149 ( -1.391 9.160 -9.640) 13.371 5.508 ( 0.529 -0.194 -4.837) 4.870 5.826 ( -1.416 -14.457 -2.662) 14.768 5.982 ( -2.131 -14.623 1.962) 14.907 7.124 ( 8.972 -2.991 -10.591) 14.199 7.294 ( 7.935 4.790 8.052) 12.278 7.992 ( -7.636 13.408 -4.894) 16.187 8.877 ( -15.073 3.095 -9.239) 17.948 9.075 ( -3.047 -21.874 1.509) 22.137 9.822 ( -1.432 -26.345 32.082) 41.538 10.457 ( 6.882 4.765 6.424) 10.552 10.641 ( 2.178 11.720 -7.269) 13.962 10.962 ( 4.265 4.338 -2.310) 6.507 12.491 ( 7.273 -1.686 -6.562) 9.940 12.857 ( -10.094 -18.735 -3.972) 21.649 13.388 ( 3.372 0.630 3.813) 5.129 14.771 ( -0.093 10.217 -0.279) 10.221 15.171 ( 2.914 19.830 -1.347) 20.088 16.456 ( -0.538 -7.043 2.275) 7.421 16.643 ( -2.400 -12.327 -4.947) 13.498 ======================= Grid point 263 (135/172) ======================= q-point: ( 0.60 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.390 -0.893 -0.532) 1.110 1.892 ( -0.434 3.032 7.351) 7.964 2.079 ( 1.186 0.545 -2.455) 2.780 2.403 ( 3.421 4.715 -7.899) 9.815 2.471 ( 1.188 -1.378 6.646) 6.891 2.925 ( -5.909 -10.558 2.010) 12.265 3.109 ( 3.123 6.421 -3.349) 7.886 3.247 ( -2.530 -7.542 0.269) 7.960 4.355 ( 2.758 -9.537 8.749) 13.233 4.913 ( 3.447 0.017 1.398) 3.720 5.181 ( -1.388 11.063 -9.129) 14.410 5.437 ( -2.347 -1.642 -3.022) 4.164 5.654 ( -4.254 -6.508 1.307) 7.884 5.869 ( 4.004 -12.761 -4.139) 14.001 7.200 ( 13.885 -5.576 -6.666) 16.381 7.597 ( 13.133 4.524 5.594) 14.974 7.875 ( -15.996 14.904 -3.468) 22.136 8.710 ( -8.615 2.431 4.455) 9.998 8.803 ( -0.591 -23.369 0.915) 23.394 9.857 ( 1.298 -12.382 28.049) 30.688 10.416 ( -3.725 -3.092 -0.638) 4.883 10.911 ( 4.300 20.663 -4.727) 21.628 11.099 ( 10.862 0.625 -2.148) 11.090 12.356 ( -21.782 -4.403 -11.789) 25.156 12.526 ( 1.535 -16.176 3.224) 16.565 13.450 ( 1.265 -0.676 0.807) 1.645 14.883 ( 4.781 8.564 -4.114) 10.636 15.417 ( 5.655 15.851 0.085) 16.830 16.346 ( -2.929 -12.886 2.585) 13.465 16.517 ( -0.488 -2.711 -1.363) 3.073 ======================= Grid point 264 (136/172) ======================= q-point: ( 0.70 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -1.074 -1.118 1.152) 1.932 1.926 ( -0.435 -2.349 1.889) 3.046 2.124 ( 4.018 1.167 -2.208) 4.731 2.392 ( 1.426 -6.609 -5.011) 8.416 2.598 ( 6.878 7.389 2.973) 10.524 2.734 ( -11.273 -2.673 6.815) 13.441 3.151 ( 0.173 -2.054 0.801) 2.212 3.249 ( 3.859 10.069 -4.929) 11.856 4.381 ( 3.766 -9.909 8.124) 13.355 4.995 ( 6.785 -1.801 -0.341) 7.028 5.109 ( -9.023 6.431 -7.102) 13.161 5.468 ( 5.711 5.507 -3.365) 8.618 5.537 ( -5.414 -2.447 -0.721) 5.984 5.848 ( 7.741 -8.576 0.573) 11.568 7.300 ( 2.338 5.891 -13.579) 14.986 7.753 ( -1.885 2.609 7.006) 7.710 7.926 ( 6.087 7.582 11.126) 14.776 8.595 ( -7.401 -10.258 10.381) 16.364 8.689 ( 9.931 -9.356 -9.773) 16.783 9.958 ( -2.050 -2.354 22.628) 22.842 10.316 ( -4.131 -4.672 -2.949) 6.899 11.065 ( 1.798 8.496 -6.829) 11.048 11.265 ( 3.998 10.160 -3.395) 11.434 11.863 ( -14.894 -8.979 -7.480) 18.931 12.410 ( -3.992 -8.818 3.395) 10.258 13.407 ( -3.441 -4.085 -0.441) 5.359 15.051 ( 9.729 6.815 -4.556) 12.722 15.632 ( 4.423 7.825 -0.130) 8.989 16.217 ( -2.451 -4.725 2.987) 6.103 16.513 ( 0.429 0.807 0.960) 1.325 ======================= Grid point 265 (137/172) ======================= q-point: (-0.20 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -2.165 -0.236 0.279) 2.196 1.888 ( 1.021 -6.868 1.446) 7.093 2.064 ( -5.649 -7.425 -1.477) 9.446 2.412 ( 7.720 0.992 -3.875) 8.695 2.558 ( -9.149 -1.161 4.311) 10.181 2.807 ( 2.383 6.001 0.799) 6.506 3.246 ( 6.845 9.709 2.153) 12.073 3.384 ( 3.719 11.190 -4.591) 12.654 4.341 ( -3.953 -8.622 3.489) 10.106 4.967 ( -6.235 2.355 -2.515) 7.123 5.123 ( 9.021 -2.465 1.066) 9.412 5.402 ( -5.161 -3.456 -1.475) 6.384 5.664 ( 7.359 11.249 -0.230) 13.445 5.938 ( 7.903 -3.123 1.347) 8.604 7.225 ( -12.446 17.025 -9.680) 23.205 7.780 ( 3.757 -15.990 6.244) 17.573 8.183 ( 7.214 4.276 11.775) 14.456 8.422 ( -8.466 -9.287 6.882) 14.328 8.812 ( 17.764 3.249 -13.227) 22.385 9.980 ( -17.219 -0.282 -3.029) 17.486 10.091 ( -5.225 -0.953 3.437) 6.326 11.081 ( 3.171 1.318 -2.811) 4.437 11.443 ( 6.704 11.375 -0.345) 13.208 11.655 ( -3.525 -2.877 0.625) 4.593 12.296 ( -1.722 -6.932 1.545) 7.308 13.293 ( -3.079 -4.101 -0.893) 5.205 15.262 ( 11.377 3.678 -2.658) 12.248 15.665 ( -3.310 -3.212 0.956) 4.710 16.244 ( 1.405 8.067 0.658) 8.214 16.543 ( 0.130 2.576 0.749) 2.686 ======================= Grid point 271 (138/172) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 2.336 5.983 3.228) 7.189 1.744 ( -1.994 1.341 11.356) 11.608 2.136 ( 2.395 2.422 0.533) 3.448 2.284 ( -1.269 4.082 -5.649) 7.084 2.554 ( 11.639 -9.359 1.101) 14.975 2.917 ( 0.936 -0.039 0.001) 0.937 3.221 ( -8.274 5.379 -7.169) 12.198 3.679 ( -6.939 -12.294 -15.784) 21.176 4.601 ( 4.896 -1.530 -0.228) 5.135 4.795 ( -11.141 5.011 8.184) 14.705 4.994 ( 10.311 -0.356 -6.358) 12.119 5.396 ( 1.837 4.190 1.761) 4.902 5.573 ( 2.858 -21.478 2.386) 21.798 6.114 ( 14.013 7.445 -13.646) 20.929 6.894 ( 0.822 -2.961 1.548) 3.441 7.786 ( 1.997 2.834 -2.636) 4.355 7.820 ( -5.686 14.796 0.708) 15.867 8.454 ( 8.938 -2.921 10.569) 14.146 9.375 ( 5.276 -3.369 -0.662) 6.294 10.084 ( -9.462 2.557 -2.505) 10.116 10.625 ( -7.060 -20.182 -2.754) 21.558 10.840 ( -5.060 5.956 7.368) 10.741 11.094 ( -6.185 1.266 -6.056) 8.748 12.081 ( 2.724 -13.038 -3.380) 13.742 12.603 ( 14.682 -0.705 -0.878) 14.725 13.475 ( -2.354 -4.937 -0.448) 5.488 14.904 ( -4.801 5.930 -4.742) 8.983 15.163 ( -11.097 12.659 10.122) 19.643 16.487 ( 3.538 -2.102 -5.377) 6.771 16.724 ( 3.216 -4.647 -7.879) 9.697 ======================= Grid point 272 (139/172) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 2.151 0.704 1.016) 2.481 1.847 ( 2.116 5.005 11.718) 12.917 2.173 ( 0.783 0.213 -2.059) 2.213 2.256 ( -5.561 11.605 -4.167) 13.526 2.599 ( 2.058 -6.501 -0.126) 6.820 2.910 ( 0.787 -3.475 -2.050) 4.111 3.170 ( 2.433 -0.514 -2.728) 3.692 3.331 ( -5.987 -13.788 -9.430) 17.745 4.608 ( -6.276 -2.735 7.584) 10.217 4.762 ( -0.955 5.268 0.108) 5.355 5.111 ( 6.601 1.957 -5.514) 8.821 5.439 ( 0.435 -4.342 4.076) 5.971 5.536 ( 8.957 -5.754 -3.170) 11.108 6.244 ( 4.362 -3.970 -8.700) 10.510 6.842 ( -3.451 1.140 3.225) 4.859 7.678 ( -20.158 5.096 3.640) 21.108 7.955 ( 7.407 13.428 -2.235) 15.497 8.757 ( 20.236 -5.090 2.905) 21.067 9.248 ( -1.344 -15.869 -16.563) 22.978 10.049 ( -4.208 7.584 13.260) 15.845 10.213 ( -12.654 -23.856 10.398) 28.937 10.861 ( -5.977 2.036 1.541) 6.500 10.988 ( -4.958 9.686 -4.669) 11.841 12.047 ( 11.678 -9.599 -7.597) 16.918 12.788 ( 13.498 -10.595 -2.295) 17.312 13.390 ( -3.126 -3.023 2.978) 5.271 14.890 ( -4.133 10.829 -2.784) 11.921 15.221 ( -6.392 15.980 7.894) 18.935 16.459 ( 1.009 -5.252 -2.972) 6.118 16.652 ( 1.589 -8.162 -6.939) 10.831 ======================= Grid point 273 (140/172) ======================= q-point: ( 0.50 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -0.904 -2.456 -2.106) 3.360 1.972 ( -2.519 3.614 7.231) 8.468 2.144 ( -1.639 -0.892 -2.645) 3.237 2.291 ( -0.348 10.359 -4.821) 11.431 2.540 ( -3.415 -3.939 3.579) 6.324 2.863 ( 4.567 -8.304 -4.595) 10.532 3.104 ( -2.090 -0.931 -3.641) 4.301 3.253 ( 4.244 -5.066 5.073) 8.332 4.476 ( -8.962 -7.893 9.114) 15.022 4.814 ( 2.729 1.552 -1.356) 3.420 5.177 ( 1.106 7.800 -7.028) 10.558 5.443 ( 2.099 -3.793 2.819) 5.171 5.608 ( 6.184 -3.790 -5.072) 8.850 6.065 ( -10.483 -10.304 2.810) 14.966 6.871 ( 5.626 -1.947 -8.751) 10.584 7.434 ( -12.461 3.481 6.957) 14.690 8.166 ( 0.717 15.779 -6.149) 16.950 8.886 ( 1.425 -6.191 -13.498) 14.918 8.991 ( -2.067 -16.031 11.032) 19.570 9.857 ( -6.012 -22.356 25.690) 34.582 10.334 ( 11.744 1.973 2.959) 12.271 10.755 ( -5.621 11.325 -6.702) 14.309 11.027 ( -2.993 9.521 1.620) 10.111 12.170 ( 16.159 -7.801 -4.760) 18.564 12.774 ( 0.885 -11.515 -6.146) 13.083 13.377 ( 1.094 -1.540 4.224) 4.627 14.915 ( -4.698 11.433 -1.187) 12.418 15.346 ( -2.239 15.539 4.168) 16.243 16.381 ( 0.330 -10.806 -0.738) 10.836 16.546 ( -0.667 -5.414 -3.722) 6.603 ======================= Grid point 274 (141/172) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 0.549 0.287 -2.509) 2.584 1.966 ( -2.437 -1.259 4.735) 5.472 2.067 ( -2.798 -1.801 -3.953) 5.167 2.311 ( 1.764 -6.230 -4.028) 7.626 2.482 ( 0.485 0.815 -1.372) 1.668 2.878 ( 2.181 0.198 1.222) 2.508 3.134 ( 1.315 7.718 1.796) 8.033 3.297 ( -0.998 -2.693 9.211) 9.648 4.312 ( -3.827 -12.990 8.023) 15.740 4.855 ( 2.516 -0.240 -1.634) 3.010 5.221 ( 0.561 9.421 -8.214) 12.511 5.440 ( -1.582 -0.752 -1.890) 2.577 5.591 ( 2.125 -6.879 1.185) 7.297 5.834 ( -8.812 -5.278 0.481) 10.283 6.852 ( 9.330 -8.465 -9.468) 15.759 7.501 ( 6.551 5.348 7.146) 11.072 8.174 ( -7.393 14.190 -10.771) 19.288 8.732 ( -3.726 -5.956 -8.074) 10.703 8.860 ( -9.313 -14.210 25.074) 30.288 9.897 ( 4.365 -10.268 27.797) 29.953 10.381 ( 2.788 -5.829 -9.140) 11.193 10.935 ( 8.535 13.466 -0.579) 15.953 11.076 ( -2.382 12.019 0.236) 12.255 12.250 ( 5.925 -21.600 0.971) 22.418 12.588 ( -8.189 5.201 -9.410) 13.515 13.419 ( 2.260 -2.045 2.288) 3.811 14.930 ( -3.328 8.193 -1.893) 9.044 15.495 ( 1.382 12.899 0.726) 12.993 16.263 ( -0.204 -11.659 1.283) 11.731 16.505 ( 0.116 -0.613 1.367) 1.502 ======================= Grid point 275 (142/172) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 1.443 0.514 -0.372) 1.577 1.934 ( -2.850 -2.047 -1.157) 3.694 2.019 ( 3.931 -1.149 -2.493) 4.795 2.182 ( 3.569 -18.198 -4.923) 19.187 2.597 ( 5.378 9.410 -0.335) 10.844 2.924 ( -2.827 7.648 3.528) 8.884 3.243 ( -3.753 2.833 8.871) 10.040 3.311 ( -1.875 8.161 5.316) 9.918 4.242 ( 4.590 -13.817 6.863) 16.096 4.874 ( 3.362 -2.582 -2.010) 4.691 5.232 ( -3.968 7.127 -9.425) 12.465 5.415 ( 2.942 4.369 -1.880) 5.593 5.595 ( -3.136 -2.941 1.899) 4.700 5.697 ( 1.998 -3.284 1.366) 4.080 6.948 ( 17.531 -6.510 -9.543) 20.995 7.736 ( 11.599 0.509 1.282) 11.681 8.124 ( -8.681 13.603 -3.611) 16.536 8.576 ( -7.035 -3.189 9.046) 11.895 8.741 ( -7.366 -10.031 14.471) 19.087 10.066 ( 2.927 -4.900 20.250) 21.039 10.324 ( -0.084 -1.148 -3.650) 3.827 10.995 ( 1.381 -5.107 -4.633) 7.032 11.325 ( 5.893 21.593 -1.637) 22.443 11.957 ( -11.328 -16.411 -2.259) 20.068 12.496 ( -8.013 5.769 -2.759) 10.252 13.411 ( -1.550 -4.213 0.626) 4.533 14.957 ( 2.954 2.571 -2.843) 4.839 15.637 ( 2.777 7.569 -0.773) 8.100 16.215 ( 1.329 -2.185 3.596) 4.413 16.537 ( 0.385 1.532 4.037) 4.335 ======================= Grid point 276 (143/172) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -0.646 -1.314 1.447) 2.059 1.834 ( -2.807 -4.325 -3.491) 6.226 1.972 ( 0.829 -11.702 -5.497) 12.955 2.199 ( 11.799 -0.721 -3.279) 12.268 2.703 ( -4.288 3.255 3.666) 6.513 3.005 ( -5.286 12.981 5.314) 14.989 3.249 ( 0.702 4.919 2.624) 5.619 3.464 ( 2.117 13.025 5.901) 14.455 4.236 ( 4.915 -13.647 2.442) 14.709 4.916 ( 6.356 -4.648 0.959) 7.932 5.125 ( -6.634 3.686 -6.782) 10.178 5.451 ( -5.796 -1.663 -4.360) 7.441 5.624 ( 9.849 14.800 -2.382) 17.936 5.814 ( 6.325 -4.081 10.130) 12.620 7.139 ( 17.541 -2.061 -11.518) 21.086 7.799 ( -5.889 -2.491 -4.078) 7.584 8.096 ( 2.548 -1.873 -1.863) 3.671 8.583 ( -8.176 -1.643 30.138) 31.270 8.686 ( 2.534 6.716 -2.931) 7.754 10.138 ( -3.305 -3.711 -2.864) 5.736 10.228 ( -8.631 -2.040 10.403) 13.670 10.954 ( 6.634 -4.762 -5.758) 9.992 11.485 ( -4.038 4.487 -2.872) 6.685 11.757 ( -2.206 8.794 0.872) 9.109 12.371 ( -9.002 3.284 -1.432) 9.689 13.305 ( -4.256 -5.375 0.184) 6.859 15.051 ( 10.269 -3.485 -1.694) 10.976 15.702 ( -0.780 1.918 1.382) 2.489 16.302 ( 2.230 7.637 1.688) 8.133 16.589 ( -0.224 3.084 3.699) 4.821 ======================= Grid point 281 (144/172) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -0.498 4.594 1.887) 4.991 1.833 ( -2.552 -1.193 6.787) 7.348 2.000 ( 10.129 -5.431 2.130) 11.689 2.150 ( 14.572 -4.194 -2.944) 15.447 2.550 ( -6.130 12.443 3.720) 14.361 2.946 ( -5.290 1.346 0.900) 5.532 3.403 ( -10.520 5.257 -9.391) 15.050 3.584 ( -8.532 -9.028 -16.810) 20.902 4.357 ( 16.483 -5.140 -3.856) 17.691 4.865 ( 4.439 2.509 -1.659) 5.362 5.049 ( -8.727 0.503 7.779) 11.701 5.416 ( 0.119 6.452 -0.555) 6.477 5.489 ( -4.980 -10.019 7.401) 13.415 5.894 ( 8.335 6.318 -13.568) 17.132 6.805 ( 11.909 7.189 3.168) 14.267 7.726 ( 7.554 3.213 1.227) 8.300 8.052 ( -8.920 5.528 4.050) 11.249 8.489 ( -5.549 -2.901 9.072) 11.023 9.240 ( -2.018 -6.048 -19.974) 20.966 10.128 ( 4.457 -1.721 2.727) 5.502 10.515 ( -0.543 -4.011 -12.229) 12.881 10.883 ( 4.597 -4.394 4.892) 8.023 11.298 ( -11.244 11.185 1.200) 15.905 11.920 ( -0.258 -15.230 0.236) 15.234 12.463 ( -1.645 -2.373 0.883) 3.019 13.432 ( 1.047 -4.568 -1.606) 4.954 14.952 ( 1.372 2.806 -2.346) 3.906 15.530 ( -10.188 9.246 8.943) 16.409 16.338 ( 3.837 -0.344 -8.226) 9.083 16.652 ( -1.962 -0.330 -6.420) 6.721 ======================= Grid point 282 (145/172) ======================= q-point: ( 0.40 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.521 -0.288 0.237) 0.640 1.883 ( 4.428 1.357 5.927) 7.522 2.102 ( 4.229 -0.391 0.383) 4.264 2.332 ( 9.679 -3.289 0.232) 10.226 2.592 ( -4.757 10.838 3.128) 12.243 2.843 ( -4.724 -6.326 -3.020) 8.453 3.244 ( -6.588 1.511 -6.334) 9.263 3.263 ( -7.671 -2.711 -8.214) 11.561 4.515 ( 9.673 -4.837 -3.970) 11.521 4.950 ( -9.509 1.322 6.971) 11.864 4.999 ( 7.270 4.832 -1.384) 8.838 5.414 ( -1.486 -3.543 7.862) 8.751 5.471 ( 0.747 4.225 -1.611) 4.583 6.018 ( 10.232 2.275 -13.357) 16.979 7.009 ( -4.405 4.305 11.537) 13.078 7.879 ( 8.345 4.938 -1.879) 9.877 8.058 ( -8.770 9.935 -2.453) 13.477 8.483 ( 7.748 -2.340 10.479) 13.241 8.965 ( 0.847 -14.741 -22.844) 27.200 10.180 ( 0.607 -1.492 4.631) 4.903 10.268 ( -11.104 -15.308 -0.928) 18.934 10.947 ( -0.876 2.472 2.968) 3.961 11.221 ( -10.496 12.112 0.189) 16.028 11.788 ( 2.918 -10.877 -0.520) 11.274 12.470 ( 8.862 -8.848 -2.234) 12.721 13.388 ( 0.160 -5.494 1.174) 5.620 15.020 ( -0.177 11.050 -1.575) 11.163 15.539 ( -7.442 10.108 8.486) 15.151 16.320 ( 2.811 -4.963 -6.831) 8.899 16.574 ( -1.741 -1.338 -4.498) 5.005 ======================= Grid point 283 (146/172) ======================= q-point: ( 0.50 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -0.217 -2.542 -0.481) 2.596 2.015 ( 4.740 0.688 -0.081) 4.790 2.123 ( -0.975 -1.568 -0.897) 2.053 2.379 ( -2.834 1.895 -2.745) 4.377 2.587 ( -7.119 -8.063 0.117) 10.756 2.720 ( 5.027 3.925 1.476) 6.547 3.159 ( -1.269 2.123 1.971) 3.163 3.202 ( -1.107 4.259 -0.192) 4.405 4.502 ( -0.548 -11.869 0.389) 11.888 4.857 ( -5.581 1.792 2.210) 6.265 5.166 ( 5.171 8.051 -3.225) 10.097 5.426 ( 0.431 -2.792 5.878) 6.522 5.523 ( 0.860 5.583 -3.053) 6.421 6.059 ( 2.451 -3.787 -4.520) 6.386 6.890 ( -13.355 -2.447 2.660) 13.836 7.809 ( -19.320 5.103 1.468) 20.036 8.151 ( 11.146 11.747 -7.791) 17.970 8.668 ( 2.648 -9.119 -14.699) 17.499 8.875 ( 14.972 -2.505 15.662) 21.811 9.918 ( -10.747 -20.392 13.065) 26.496 10.190 ( 3.322 -7.112 -0.782) 7.889 10.950 ( -5.730 11.731 -0.650) 13.071 11.207 ( -5.280 11.434 0.166) 12.595 11.831 ( 11.592 -7.165 -0.728) 13.647 12.532 ( 10.323 -7.985 -4.494) 13.802 13.357 ( 0.859 -4.583 2.275) 5.188 15.109 ( -3.835 13.119 0.069) 13.668 15.579 ( -4.994 8.907 6.472) 12.090 16.244 ( 0.844 -8.107 -4.462) 9.292 16.517 ( -1.115 -0.600 -1.387) 1.878 ======================= Grid point 284 (147/172) ======================= q-point: (-0.40 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -0.045 0.493 -0.462) 0.678 2.011 ( -2.481 -3.889 -0.031) 4.613 2.036 ( -1.407 -6.421 -6.437) 9.200 2.228 ( -7.285 -7.386 -3.676) 11.006 2.468 ( 0.586 0.906 -1.690) 2.005 2.920 ( 3.012 12.056 3.806) 12.997 3.240 ( 0.048 9.107 7.444) 11.762 3.289 ( 5.758 -0.619 8.093) 9.951 4.306 ( -6.158 -16.625 4.263) 18.234 4.832 ( -0.488 0.777 -0.437) 1.016 5.252 ( -0.100 7.537 -5.466) 9.311 5.434 ( 0.353 -0.973 -3.158) 3.323 5.552 ( -0.192 2.608 1.148) 2.856 5.976 ( -8.529 -2.629 4.511) 10.000 6.661 ( -3.982 -5.030 -8.110) 10.341 7.629 ( -9.516 6.228 3.291) 11.839 8.288 ( -1.167 11.539 -10.043) 15.342 8.583 ( 7.460 -6.631 -6.525) 11.925 9.104 ( -6.129 -3.916 25.080) 26.113 9.841 ( 9.513 -12.035 19.420) 24.749 10.133 ( 4.690 -11.529 -7.052) 14.305 11.006 ( -1.670 9.846 -0.839) 10.022 11.251 ( -2.983 13.502 -0.763) 13.849 11.947 ( 10.032 -12.739 2.435) 16.396 12.598 ( 5.352 3.364 -7.023) 9.449 13.364 ( 2.675 -3.549 1.928) 4.844 15.104 ( -8.531 6.641 -0.622) 10.829 15.631 ( -2.571 8.381 2.856) 9.220 16.168 ( 0.883 -5.163 -0.096) 5.239 16.516 ( 0.408 0.827 2.813) 2.960 ======================= Grid point 285 (148/172) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 0.237 0.759 -0.860) 1.171 1.867 ( 2.350 -18.271 -7.045) 19.723 1.937 ( -1.352 -2.718 1.236) 3.278 2.043 ( -5.314 -1.182 -1.626) 5.682 2.582 ( 6.640 10.863 -2.816) 13.039 3.058 ( -1.241 11.686 -0.296) 11.755 3.394 ( -1.091 8.991 9.554) 13.165 3.460 ( 2.974 1.180 15.557) 15.883 4.097 ( -1.630 -16.015 4.590) 16.739 4.813 ( -0.330 -3.054 -0.842) 3.185 5.277 ( -0.573 7.947 -7.359) 10.846 5.405 ( 1.303 2.716 -3.615) 4.706 5.598 ( 1.231 -0.002 2.774) 3.035 5.806 ( -12.361 3.287 3.099) 13.161 6.605 ( 8.617 -4.676 -7.397) 12.282 7.618 ( 0.850 1.227 -0.319) 1.526 8.310 ( -0.843 12.065 -7.497) 14.230 8.619 ( 0.463 0.820 -1.583) 1.842 9.028 ( -13.815 -6.023 29.418) 33.053 10.029 ( 3.460 -10.958 6.724) 13.314 10.174 ( 16.494 -1.458 5.098) 17.326 10.952 ( -6.008 -5.812 -3.309) 8.991 11.403 ( 4.919 15.527 -4.430) 16.879 11.913 ( -0.997 -11.675 4.669) 12.613 12.663 ( -2.651 10.728 -5.807) 12.483 13.383 ( 1.337 -3.711 1.791) 4.332 14.967 ( -6.347 -3.785 -2.383) 7.765 15.693 ( -0.749 8.094 0.048) 8.128 16.199 ( 2.812 2.706 3.466) 5.219 16.577 ( 1.097 1.903 6.203) 6.580 ======================= Grid point 286 (149/172) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 1.536 -7.615 -0.746) 7.804 1.689 ( 3.125 -19.857 -4.491) 20.597 1.928 ( -2.299 6.639 -2.589) 7.488 2.061 ( 4.376 6.387 -0.109) 7.743 2.793 ( 3.849 10.592 -0.207) 11.271 3.138 ( 0.999 11.553 -4.761) 12.535 3.425 ( -8.433 -0.440 11.449) 14.226 3.615 ( 0.397 4.719 13.555) 14.358 4.032 ( 4.188 -8.378 3.063) 9.855 4.789 ( 3.651 -5.244 0.963) 6.462 5.219 ( -6.732 4.655 -8.568) 11.849 5.485 ( -1.415 1.222 -4.607) 4.972 5.644 ( 4.075 14.424 0.454) 14.995 5.797 ( 2.087 2.902 10.396) 10.994 6.738 ( 16.779 -2.637 -6.264) 18.103 7.631 ( 4.860 -5.908 -3.959) 8.614 8.296 ( -14.381 10.208 -7.679) 19.235 8.612 ( 7.157 2.134 -5.675) 9.380 9.025 ( -12.811 0.576 39.424) 41.457 10.037 ( 6.895 -4.318 -5.105) 9.605 10.401 ( -3.698 -2.191 11.823) 12.580 10.738 ( 2.650 -11.775 -5.609) 13.309 11.534 ( 1.048 0.497 -3.330) 3.526 11.874 ( -0.752 8.915 0.176) 8.949 12.598 ( -11.356 9.346 -5.341) 15.647 13.338 ( -3.739 -4.588 3.237) 6.746 14.852 ( 3.729 -10.399 -1.597) 11.162 15.760 ( -0.445 6.799 0.816) 6.862 16.338 ( 3.892 8.094 2.411) 9.299 16.654 ( -0.070 2.429 6.465) 6.907 ======================= Grid point 342 (150/172) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -0.000 0.000 17.428) 17.428 1.304 ( -0.000 0.000 17.428) 17.428 1.574 ( -0.000 0.000 14.340) 14.340 2.689 ( 0.000 -0.000 -14.100) 14.100 2.795 ( 0.000 -0.000 -8.162) 8.162 2.795 ( 0.000 -0.000 -8.162) 8.162 3.784 ( -0.000 0.000 5.387) 5.387 3.784 ( -0.000 0.000 5.387) 5.387 4.115 ( -0.000 0.000 3.732) 3.732 4.935 ( 0.000 -0.000 -11.212) 11.212 5.173 ( 0.000 0.000 -0.819) 0.819 5.173 ( 0.000 -0.000 -0.819) 0.819 6.613 ( -0.000 0.000 1.689) 1.689 6.617 ( 0.000 0.000 -1.002) 1.002 6.617 ( 0.000 -0.000 -1.002) 1.002 7.939 ( 0.000 -0.000 -16.490) 16.490 7.939 ( 0.000 -0.000 -16.490) 16.490 8.720 ( 0.000 -0.000 -17.461) 17.461 9.507 ( -0.000 0.000 7.168) 7.168 9.507 ( -0.000 0.000 7.168) 7.168 10.596 ( -0.000 0.000 6.541) 6.541 10.596 ( -0.000 0.000 6.541) 6.541 12.429 ( 0.000 0.000 -3.093) 3.093 12.429 ( 0.000 -0.000 -3.093) 3.093 13.165 ( -0.000 0.000 15.524) 15.524 13.423 ( -0.000 0.000 1.677) 1.677 13.423 ( -0.000 -0.000 1.677) 1.677 14.530 ( -0.000 0.000 2.994) 2.994 16.575 ( -0.000 0.000 3.172) 3.172 17.326 ( 0.000 -0.000 -6.464) 6.464 ======================= Grid point 343 (151/172) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -0.114 -2.698 13.661) 13.926 1.515 ( 1.682 2.137 16.148) 16.375 1.758 ( 8.636 6.213 6.863) 12.660 2.574 ( -1.525 -0.540 -14.857) 14.945 2.600 ( -3.597 -3.541 -4.698) 6.896 2.883 ( 4.852 2.868 -7.692) 9.536 3.598 ( -11.588 -8.223 6.167) 15.490 3.915 ( 1.888 2.003 -0.525) 2.802 4.213 ( 5.128 3.025 7.040) 9.220 4.803 ( -6.742 2.813 -8.721) 11.377 5.103 ( 5.302 -9.615 1.410) 11.070 5.291 ( 1.563 6.894 -4.429) 8.342 6.392 ( -3.701 -15.320 -0.585) 15.771 6.704 ( 1.364 5.531 3.035) 6.455 6.841 ( 5.658 12.904 -0.534) 14.100 7.546 ( -24.915 5.613 -11.904) 28.178 7.860 ( 4.989 -8.117 -20.255) 22.384 8.585 ( 4.496 -16.834 -7.901) 19.131 9.588 ( 2.779 0.953 0.133) 2.941 9.640 ( 1.028 9.876 11.836) 15.449 10.500 ( -3.162 -4.636 6.322) 8.453 10.806 ( 7.499 6.080 1.970) 9.853 12.010 ( -38.277 8.457 0.463) 39.203 12.221 ( 5.109 -28.562 -2.139) 29.094 13.259 ( -9.822 -6.490 4.443) 12.583 13.525 ( 1.581 5.966 -0.043) 6.172 13.780 ( 28.727 15.119 10.362) 34.076 14.629 ( 6.317 4.695 -2.759) 8.340 16.584 ( -0.893 -0.562 2.546) 2.756 17.214 ( -5.371 -3.836 -6.465) 9.238 ======================= Grid point 344 (152/172) ======================= q-point: ( 0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 1.805 -2.151 8.864) 9.298 1.649 ( 1.455 0.736 14.716) 14.806 1.949 ( 4.944 4.406 -1.936) 6.900 2.407 ( -4.946 -0.466 -13.330) 14.226 2.636 ( 8.850 1.513 1.513) 9.105 2.897 ( -0.341 0.687 -6.285) 6.332 3.340 ( -12.007 -9.638 4.122) 15.939 3.869 ( -2.918 -1.863 -8.470) 9.151 4.441 ( 9.285 6.188 10.456) 15.292 4.693 ( -4.739 5.630 -6.314) 9.697 5.107 ( 3.623 -11.822 -0.532) 12.376 5.322 ( -0.348 5.803 -1.932) 6.126 6.154 ( -3.410 -18.042 -4.401) 18.881 6.577 ( -26.952 3.685 -3.074) 27.376 6.986 ( -0.735 14.320 -0.228) 14.341 7.363 ( 4.474 2.017 -0.513) 4.934 7.735 ( 3.818 -3.820 -17.260) 18.086 8.472 ( 4.486 -18.830 6.338) 20.368 9.580 ( -1.351 -4.513 -0.530) 4.741 9.841 ( 0.536 11.226 12.141) 16.544 10.502 ( 5.343 -2.580 -0.272) 5.939 10.974 ( 4.857 5.580 -1.585) 7.565 11.482 ( -28.026 2.959 -6.827) 28.997 12.108 ( 6.135 -13.279 1.929) 14.755 13.010 ( -14.958 -8.607 4.724) 17.892 13.563 ( -0.507 2.797 -2.531) 3.806 14.422 ( 21.538 13.060 11.600) 27.731 14.756 ( 6.749 6.806 -7.600) 12.232 16.567 ( -1.702 -1.249 1.132) 2.395 16.996 ( -8.197 -6.982 -7.512) 13.129 ======================= Grid point 345 (153/172) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 1.289 -0.795 4.653) 4.893 1.796 ( 3.268 1.233 13.377) 13.825 2.056 ( 5.422 1.692 1.321) 5.831 2.239 ( -4.043 -0.270 -10.436) 11.195 2.745 ( -11.486 -1.709 -1.250) 11.679 2.848 ( 7.792 -1.505 0.712) 7.968 3.135 ( -1.950 -2.693 -2.873) 4.394 3.715 ( -2.953 -1.976 -13.751) 14.202 4.643 ( -4.070 5.156 -4.550) 7.991 4.758 ( 10.785 5.156 10.263) 15.756 4.956 ( -4.901 -8.181 -4.071) 10.369 5.379 ( 0.761 1.465 3.022) 3.444 5.888 ( -2.562 -16.300 -7.281) 18.035 6.106 ( -28.755 9.611 -3.160) 30.483 6.963 ( -6.071 -7.859 -1.805) 10.093 7.561 ( 12.699 0.307 6.548) 14.292 7.705 ( 3.698 4.769 -11.105) 12.638 8.481 ( 3.216 -6.913 12.852) 14.943 9.473 ( -5.726 -2.513 -2.100) 6.596 10.028 ( 4.407 1.658 10.445) 11.457 10.608 ( 8.177 1.901 -7.198) 11.059 10.988 ( -10.787 -4.785 -7.065) 13.754 11.095 ( -3.930 7.189 -10.588) 13.388 12.189 ( 8.013 -1.153 5.796) 9.957 12.659 ( -18.396 -10.395 3.205) 21.372 13.537 ( -2.043 0.704 -3.265) 3.915 14.804 ( 6.913 6.747 -2.541) 9.989 15.015 ( 15.808 12.008 6.881) 21.010 16.507 ( -4.168 -3.399 -0.294) 5.386 16.731 ( -6.615 -6.678 -9.241) 13.181 ======================= Grid point 346 (154/172) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 2.648 1.253 2.741) 4.012 1.923 ( -0.764 2.066 9.434) 9.688 2.055 ( -4.407 -2.566 -2.605) 5.727 2.216 ( -0.053 -4.151 2.648) 4.924 2.470 ( -8.522 -2.931 0.317) 9.018 2.907 ( 3.816 -0.043 -0.336) 3.831 3.226 ( 10.452 6.096 -7.480) 14.225 3.568 ( -0.555 -0.948 -16.116) 16.153 4.457 ( -14.185 -4.718 -6.076) 16.137 4.830 ( 0.908 -2.430 -0.053) 2.595 5.062 ( 7.493 6.843 7.638) 12.701 5.386 ( -2.175 -0.553 3.350) 4.033 5.683 ( -1.032 -9.024 -6.938) 11.429 5.832 ( -13.999 11.256 -0.260) 17.965 6.735 ( -5.193 -13.900 1.943) 14.965 7.625 ( 2.664 -4.418 -4.469) 6.825 7.968 ( 12.175 11.528 7.690) 18.446 8.570 ( 1.694 -0.269 7.817) 8.003 9.303 ( -9.481 2.333 -11.802) 15.317 10.138 ( 3.557 -7.386 8.712) 11.962 10.425 ( -11.159 -6.568 -21.712) 25.280 10.944 ( 8.579 0.808 -0.779) 8.652 11.127 ( 4.838 6.451 -4.130) 9.060 12.260 ( -18.514 -8.717 0.537) 20.471 12.405 ( 9.250 4.989 7.041) 12.650 13.469 ( -2.560 -2.218 -2.707) 4.336 14.932 ( 2.773 7.159 -2.058) 7.949 15.425 ( 13.072 9.104 7.410) 17.569 16.321 ( -7.310 -6.945 -4.598) 11.082 16.596 ( 0.623 -1.079 -7.031) 7.140 ======================= Grid point 353 (155/172) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -3.103 3.849 12.457) 13.402 1.617 ( 1.016 4.918 11.138) 12.218 1.765 ( 1.833 3.899 7.136) 8.336 2.454 ( 0.732 -4.833 -12.497) 13.419 2.558 ( -1.375 -4.231 -5.052) 6.732 2.845 ( 0.091 7.223 -8.293) 10.998 3.689 ( -2.090 -10.386 6.225) 12.288 3.833 ( 1.192 -6.998 -0.370) 7.108 4.262 ( 0.493 5.007 7.137) 8.732 4.763 ( 4.445 -1.097 -5.830) 7.413 5.071 ( -7.391 -2.409 -1.053) 7.844 5.314 ( 2.868 9.290 -4.319) 10.639 6.386 ( -11.893 -14.268 0.585) 18.584 6.654 ( 8.758 -0.968 7.082) 11.305 6.913 ( 3.916 13.080 2.132) 13.819 7.392 ( 11.804 -20.625 -13.138) 27.154 7.772 ( -5.295 3.825 -19.487) 20.553 8.592 ( -14.316 8.470 -11.296) 20.106 9.554 ( 1.627 -4.578 4.879) 6.885 9.764 ( 6.231 15.014 5.019) 17.013 10.549 ( -4.894 -6.862 8.918) 12.270 10.794 ( 2.738 5.618 0.739) 6.293 11.649 ( 4.266 -51.312 4.833) 51.715 12.526 ( -4.651 3.650 -6.802) 9.012 13.344 ( -1.628 -3.850 4.727) 6.310 13.427 ( 3.514 -3.749 0.772) 5.196 13.882 ( -0.053 34.947 7.755) 35.797 14.615 ( 0.723 5.458 -1.914) 5.829 16.598 ( 0.016 -2.049 2.680) 3.373 17.163 ( -0.609 -7.779 -5.930) 9.801 ======================= Grid point 354 (156/172) ======================= q-point: ( 0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -5.022 4.030 8.604) 10.747 1.724 ( 1.192 0.564 10.318) 10.402 1.916 ( 3.679 5.841 -0.991) 6.974 2.366 ( -0.435 -0.473 -13.395) 13.410 2.514 ( 5.058 -3.177 5.517) 8.131 2.868 ( 1.238 5.649 -8.421) 10.215 3.472 ( -11.771 -12.661 5.628) 18.180 3.763 ( 1.101 -11.637 -4.742) 12.614 4.423 ( 6.971 3.870 8.238) 11.464 4.789 ( -2.447 9.179 -9.039) 13.113 4.975 ( 0.990 -6.615 4.982) 8.341 5.376 ( -0.700 6.737 -4.250) 7.996 6.073 ( -8.854 -16.314 1.896) 18.659 6.732 ( 3.058 -15.245 -1.248) 15.599 7.076 ( 0.062 10.823 -0.079) 10.824 7.426 ( 8.843 -1.609 -3.744) 9.736 7.522 ( -8.753 6.891 -17.282) 20.561 8.421 ( -5.555 2.855 3.397) 7.109 9.511 ( -0.402 -7.907 -1.266) 8.018 10.073 ( 1.656 15.284 11.365) 19.118 10.424 ( -3.085 -7.186 2.590) 8.238 10.904 ( 4.906 -0.559 -2.495) 5.532 11.320 ( 6.891 -36.541 0.571) 37.189 12.296 ( -17.559 5.436 -3.562) 18.723 13.207 ( -10.706 -8.347 5.731) 14.735 13.475 ( 5.793 -3.504 -3.067) 7.432 14.386 ( 12.725 26.086 8.070) 30.125 14.699 ( 4.310 9.101 -6.139) 11.794 16.582 ( -0.945 -2.925 2.313) 3.847 16.976 ( -5.446 -11.454 -5.514) 13.829 ======================= Grid point 355 (157/172) ======================= q-point: ( 0.60 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -2.949 3.309 5.768) 7.275 1.838 ( 3.105 1.069 11.271) 11.740 2.015 ( 4.115 4.872 -0.118) 6.378 2.241 ( -3.435 1.487 -11.143) 11.755 2.683 ( 9.463 -2.263 3.661) 10.396 2.861 ( -3.109 4.794 -5.776) 8.125 3.179 ( -10.576 -11.074 3.172) 15.638 3.594 ( -1.115 -12.039 -8.369) 14.704 4.646 ( 9.955 -2.134 7.263) 12.506 4.759 ( -4.235 10.940 -8.511) 14.493 4.971 ( -1.693 -1.547 3.565) 4.239 5.404 ( 0.617 3.064 0.401) 3.151 5.793 ( -7.157 -14.118 -0.065) 15.829 6.462 ( -9.548 -13.320 -9.359) 18.872 6.998 ( -13.722 3.354 -5.202) 15.053 7.524 ( 4.951 7.504 5.621) 10.603 7.607 ( 8.757 8.333 -5.926) 13.463 8.482 ( 1.517 0.040 14.722) 14.800 9.402 ( 1.626 -9.488 -6.679) 11.716 10.164 ( -7.928 -7.641 23.167) 25.651 10.469 ( 8.495 12.675 -10.880) 18.740 10.849 ( 2.781 -20.035 -6.014) 21.103 11.156 ( -3.194 1.171 -11.751) 12.234 12.108 ( -3.913 -2.222 1.518) 4.749 12.926 ( -15.611 -10.423 6.229) 19.777 13.498 ( 2.371 -2.007 -3.874) 4.966 14.745 ( 7.023 7.852 -1.325) 10.617 14.968 ( 12.558 21.074 1.494) 24.578 16.541 ( -2.426 -3.549 2.660) 5.056 16.705 ( -7.496 -11.850 -6.167) 15.318 ======================= Grid point 356 (158/172) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -1.417 2.845 3.221) 4.525 1.990 ( 3.074 0.962 11.065) 11.524 2.082 ( -1.522 0.472 -2.403) 2.883 2.211 ( 1.420 6.380 0.247) 6.541 2.644 ( -12.217 -3.235 -2.903) 12.968 2.807 ( 3.190 -5.489 1.012) 6.429 3.101 ( 5.240 4.315 -3.822) 7.790 3.412 ( 0.356 -9.736 -10.382) 14.237 4.624 ( -10.956 -3.680 -4.213) 12.301 4.781 ( 2.596 2.581 0.065) 3.661 5.057 ( 5.820 6.005 5.057) 9.773 5.442 ( -0.566 0.550 2.865) 2.971 5.588 ( -2.354 -7.718 -2.628) 8.486 6.142 ( -12.132 -1.157 -5.959) 13.566 6.777 ( -10.639 -1.479 1.761) 10.884 7.579 ( -1.197 7.440 -6.029) 9.651 7.942 ( 12.777 9.847 9.973) 18.965 8.594 ( 0.235 -3.880 14.756) 15.260 9.291 ( 1.296 -5.793 -14.047) 15.250 10.078 ( -4.540 -12.756 11.758) 17.933 10.487 ( -15.107 -9.641 -16.006) 24.029 10.727 ( 13.701 10.525 -6.889) 18.599 11.114 ( 1.696 5.930 -6.242) 8.775 12.100 ( 6.398 -13.842 1.908) 15.368 12.629 ( -12.860 -5.226 7.655) 15.852 13.454 ( -1.595 -3.035 -3.344) 4.789 14.927 ( 6.670 10.094 -2.632) 12.382 15.372 ( 11.360 14.814 2.423) 18.825 16.377 ( -10.042 -10.211 0.365) 14.326 16.535 ( -0.038 -1.786 -3.843) 4.238 ======================= Grid point 363 (159/172) ======================= q-point: ( 0.40 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 5.430 7.046 7.835) 11.854 1.739 ( -2.202 2.645 11.324) 11.836 1.858 ( -4.594 3.441 0.005) 5.740 2.307 ( 1.230 -4.452 -12.019) 12.876 2.576 ( -5.457 0.625 0.747) 5.544 2.859 ( -0.758 4.561 -7.824) 9.088 3.529 ( 11.245 -8.991 5.061) 15.261 3.743 ( -1.741 -14.056 -5.215) 15.093 4.406 ( -6.993 3.833 8.824) 11.894 4.666 ( 4.286 2.982 -2.444) 5.764 5.171 ( -5.806 -2.683 -3.915) 7.499 5.306 ( 4.053 9.391 -2.490) 10.527 6.294 ( 6.130 -16.060 -5.615) 18.084 6.636 ( 7.117 -21.642 0.905) 22.801 6.736 ( 2.998 5.255 6.096) 8.589 7.265 ( -9.750 4.558 1.924) 10.934 7.719 ( 1.621 7.022 -15.499) 17.093 8.802 ( -0.223 17.264 -13.000) 21.613 9.502 ( -1.798 -8.610 -0.720) 8.825 9.831 ( 3.138 7.163 11.537) 13.938 10.648 ( 1.254 4.174 9.805) 10.730 10.825 ( -5.719 -0.575 -4.147) 7.087 11.172 ( 0.302 -46.115 6.869) 46.625 12.377 ( 11.527 1.876 -8.760) 14.599 13.228 ( 13.130 -2.817 3.447) 13.864 13.433 ( -6.115 -6.810 0.076) 9.152 14.376 ( -12.840 25.650 8.681) 29.969 14.664 ( -2.655 6.343 -4.824) 8.400 16.581 ( 0.888 -2.901 1.871) 3.564 17.008 ( 4.216 -9.310 -6.299) 12.006 ======================= Grid point 364 (160/172) ======================= q-point: ( 0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -3.419 -1.076 -2.030) 4.119 1.775 ( -0.542 6.112 9.672) 11.454 1.935 ( 1.518 7.076 1.126) 7.324 2.240 ( 3.191 -1.798 -9.327) 10.021 2.524 ( -2.260 -0.338 7.224) 7.577 2.854 ( 0.545 5.781 -7.827) 9.746 3.515 ( -4.297 -17.221 -0.110) 17.749 3.576 ( 3.193 -12.147 1.823) 12.691 4.424 ( 0.100 1.760 7.027) 7.244 4.802 ( 5.315 8.462 -2.228) 10.238 5.017 ( -6.460 -2.351 -1.120) 6.966 5.404 ( 1.223 6.531 -4.849) 8.226 6.105 ( -6.030 -15.055 -0.214) 16.219 6.419 ( 1.228 -26.326 2.027) 26.433 7.069 ( 15.310 2.982 -2.024) 15.729 7.244 ( 2.226 6.534 5.724) 8.967 7.676 ( -6.989 11.574 -13.935) 19.416 8.671 ( -12.491 10.271 -6.991) 17.618 9.422 ( -0.301 -12.656 1.306) 12.727 10.158 ( 10.436 19.328 1.460) 22.014 10.561 ( -12.706 -9.884 15.441) 22.306 10.751 ( -1.138 -22.283 -1.332) 22.352 10.936 ( 10.336 -13.271 7.806) 18.544 12.422 ( 1.481 0.038 -10.043) 10.151 13.201 ( -4.030 -15.910 -2.766) 16.644 13.403 ( 2.250 0.492 4.475) 5.033 14.568 ( 0.024 18.779 5.478) 19.561 14.717 ( 1.711 17.089 -5.576) 18.057 16.572 ( 0.222 -3.804 2.550) 4.585 16.880 ( -1.394 -13.575 -4.288) 14.304 ======================= Grid point 365 (161/172) ======================= q-point: ( 0.60 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -0.518 -0.405 -0.075) 0.662 1.889 ( 0.626 4.338 9.934) 10.858 2.009 ( 1.613 5.014 -1.186) 5.399 2.203 ( 1.079 2.682 -12.321) 12.655 2.598 ( 2.764 -1.967 9.280) 9.881 2.887 ( 1.312 7.400 -5.807) 9.497 3.263 ( -7.685 -15.642 3.323) 17.742 3.452 ( -3.049 -12.375 -0.744) 12.766 4.525 ( 5.830 -2.525 6.163) 8.852 4.870 ( -3.960 9.986 -9.242) 14.171 4.984 ( 3.100 -1.074 5.028) 6.004 5.423 ( -0.437 2.681 -2.773) 3.882 5.840 ( -10.879 -12.349 4.143) 16.971 6.200 ( 4.625 -23.570 -4.998) 24.534 7.197 ( 0.555 2.589 -9.155) 9.531 7.502 ( 9.568 8.223 2.821) 12.927 7.587 ( -3.111 11.284 -1.392) 11.788 8.632 ( -3.567 6.380 7.656) 10.585 9.245 ( -3.092 -17.034 1.293) 17.361 10.336 ( -6.377 -6.237 4.479) 9.982 10.437 ( -0.094 -2.450 3.561) 4.323 10.617 ( 5.005 -3.083 5.475) 8.033 11.066 ( 7.004 0.034 -2.693) 7.504 12.266 ( -13.803 1.109 -7.657) 15.823 12.951 ( -2.459 -20.587 0.067) 20.734 13.445 ( 0.536 1.143 0.526) 1.367 14.712 ( 3.770 6.762 -1.127) 7.824 15.011 ( 8.210 24.173 -2.278) 25.631 16.551 ( -0.680 -3.078 2.507) 4.027 16.662 ( -5.123 -14.884 -1.123) 15.781 ======================= Grid point 366 (162/172) ======================= q-point: ( 0.70 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -1.017 0.266 1.624) 1.935 1.999 ( 2.366 -2.220 5.555) 6.433 2.066 ( 2.869 3.066 -1.722) 4.538 2.255 ( 3.903 12.123 -3.317) 13.161 2.626 ( 1.470 -5.077 -0.561) 5.316 2.877 ( -9.141 -3.272 1.456) 9.818 3.088 ( -0.862 0.400 2.842) 2.997 3.273 ( -2.523 -9.511 -3.022) 10.293 4.607 ( 3.222 -7.507 5.799) 10.018 4.859 ( -3.254 10.810 -8.323) 14.025 5.037 ( 2.901 -0.339 2.241) 3.681 5.438 ( 2.408 -0.734 1.326) 2.845 5.583 ( -7.774 -6.600 -3.252) 10.704 6.090 ( 4.132 -13.773 2.830) 14.655 7.035 ( -12.406 9.253 -12.533) 19.915 7.707 ( -0.996 14.429 0.965) 14.495 7.816 ( 15.341 2.483 9.299) 18.110 8.690 ( -1.051 -2.889 11.271) 11.683 9.050 ( -0.022 -17.555 -1.249) 17.599 10.194 ( -8.827 -7.784 11.663) 16.569 10.369 ( 1.054 -6.089 -12.303) 13.767 10.774 ( -0.733 13.940 3.021) 14.283 11.100 ( 1.168 5.570 -10.120) 11.611 11.983 ( -7.218 -8.905 -1.887) 11.617 12.718 ( -5.457 -16.869 4.429) 18.275 13.441 ( -1.563 -0.397 -2.099) 2.648 14.872 ( 7.973 8.530 -1.687) 11.797 15.351 ( 9.416 17.273 -3.359) 19.957 16.426 ( -6.923 -11.641 1.383) 13.615 16.529 ( -1.476 -1.651 3.033) 3.756 ======================= Grid point 374 (163/172) ======================= q-point: ( 0.40 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 5.120 4.404 3.552) 7.630 1.880 ( -0.700 2.027 12.970) 13.146 2.006 ( -8.244 8.217 -1.188) 11.700 2.168 ( 1.935 -2.494 -10.303) 10.776 2.691 ( -3.639 -2.678 -0.362) 4.533 2.863 ( -1.568 4.807 -3.225) 5.998 3.262 ( 12.702 -7.325 2.137) 14.818 3.558 ( -0.529 -14.538 -9.813) 17.548 4.617 ( 1.886 2.975 -1.921) 4.012 4.682 ( -10.138 4.538 8.601) 14.048 5.085 ( 6.854 -1.195 -5.689) 8.987 5.379 ( -1.866 4.290 1.655) 4.962 5.917 ( 7.730 -24.498 -2.198) 25.783 6.204 ( 19.726 -1.087 -6.037) 20.658 6.949 ( -9.410 -4.598 11.003) 15.191 7.551 ( -11.872 9.513 1.443) 15.281 7.669 ( 3.334 10.525 -9.647) 14.661 8.746 ( 11.506 6.683 -1.570) 13.398 9.392 ( 0.388 -9.996 -12.946) 16.361 10.013 ( -5.727 3.363 18.745) 19.887 10.646 ( 5.542 -3.182 -3.215) 7.153 10.846 ( -3.386 -8.107 -12.065) 14.925 10.945 ( -6.026 -8.101 8.591) 13.257 12.188 ( 2.515 -6.802 -1.436) 7.393 12.932 ( 18.525 -5.400 1.482) 19.353 13.460 ( -3.480 -3.693 -0.686) 5.121 14.715 ( -4.677 5.606 -1.251) 7.407 14.920 ( -13.975 18.963 6.130) 24.340 16.538 ( 1.973 -3.455 1.064) 4.119 16.766 ( 7.587 -8.572 -8.195) 14.078 ======================= Grid point 375 (164/172) ======================= q-point: ( 0.50 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -0.682 -2.113 -4.159) 4.715 1.958 ( -4.005 5.598 7.401) 10.107 2.010 ( -0.033 10.790 -0.533) 10.803 2.124 ( 1.445 -1.400 -6.285) 6.599 2.630 ( -3.090 -0.774 6.670) 7.392 2.858 ( -0.570 4.656 -4.926) 6.802 3.283 ( 3.237 -17.790 -6.476) 19.207 3.448 ( 6.241 -10.100 5.953) 13.281 4.580 ( -8.980 1.971 8.843) 12.756 4.755 ( 6.774 5.610 -2.631) 9.181 5.058 ( -2.689 -1.251 -5.426) 6.184 5.422 ( 0.288 4.893 -1.344) 5.082 5.833 ( 8.905 -18.871 -2.955) 21.075 6.327 ( 0.041 -14.584 3.809) 15.074 6.878 ( 2.474 -0.897 4.175) 4.936 7.420 ( -10.617 3.919 5.660) 12.654 7.788 ( 0.254 16.081 -10.772) 19.357 8.802 ( -2.601 4.500 -16.630) 17.423 9.289 ( 4.426 -11.303 3.129) 12.535 10.222 ( 6.041 12.960 12.487) 18.984 10.517 ( 0.909 -24.000 1.696) 24.077 10.683 ( -4.976 -11.283 1.123) 12.383 10.901 ( -3.575 6.044 9.518) 11.828 12.206 ( 10.685 -3.463 -7.912) 13.739 13.036 ( 3.691 -16.220 -4.369) 17.199 13.415 ( 0.355 0.661 4.251) 4.317 14.719 ( -2.878 7.797 0.316) 8.317 14.978 ( -7.322 23.688 1.468) 24.837 16.539 ( 1.313 -4.107 2.849) 5.168 16.700 ( 3.018 -13.279 -5.546) 14.704 ======================= Grid point 376 (165/172) ======================= q-point: ( 0.60 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 0.508 -1.771 -5.149) 5.469 2.003 ( -0.413 2.929 3.459) 4.551 2.052 ( -3.994 1.253 0.467) 4.212 2.127 ( 3.420 8.017 -8.439) 12.132 2.637 ( -1.873 -4.706 9.158) 10.466 2.892 ( 2.564 5.449 -3.775) 7.107 3.128 ( 1.509 -13.092 -1.872) 13.311 3.469 ( -1.367 -7.658 9.769) 12.487 4.524 ( -3.675 -2.278 7.134) 8.342 4.896 ( 6.643 -3.429 0.194) 7.478 4.966 ( -3.699 8.850 -7.996) 12.487 5.436 ( -0.994 1.648 -2.591) 3.227 5.801 ( 7.186 -13.810 1.163) 15.611 6.041 ( -14.205 -16.150 3.295) 21.759 6.981 ( 10.855 -7.824 -3.636) 13.866 7.463 ( 5.078 4.865 8.937) 11.372 7.795 ( -6.753 16.100 -11.958) 21.162 8.710 ( -0.625 1.547 -9.174) 9.324 9.242 ( -5.051 -10.575 13.732) 18.053 10.338 ( 1.267 -10.665 -4.995) 11.844 10.427 ( -5.951 -3.048 6.123) 9.066 10.644 ( 7.990 3.196 15.913) 18.091 10.989 ( 1.158 3.892 3.418) 5.308 12.339 ( 6.329 5.025 -7.934) 11.325 12.752 ( -6.185 -22.503 -5.580) 23.995 13.465 ( 0.434 -0.598 3.705) 3.778 14.760 ( -1.684 7.963 0.549) 8.157 15.139 ( 0.481 21.978 -3.580) 22.273 16.542 ( -0.422 -3.382 -1.256) 3.632 16.560 ( 0.737 -14.631 4.691) 15.382 ======================= Grid point 378 (166/172) ======================= q-point: (-0.30 -0.40 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 4.515 -0.254 -2.622) 5.227 1.951 ( -1.786 -1.900 -7.844) 8.266 2.065 ( 1.308 -1.422 6.585) 6.862 2.264 ( 5.735 11.683 -3.861) 13.575 2.564 ( -0.858 -10.633 1.137) 10.728 2.925 ( -0.562 -2.936 -0.739) 3.079 3.112 ( 1.335 5.170 3.126) 6.187 3.382 ( -10.735 -3.221 12.139) 16.522 4.519 ( 2.972 -7.799 6.840) 10.791 4.901 ( 2.088 -0.365 -0.953) 2.324 5.006 ( -0.080 6.754 -8.106) 10.551 5.403 ( -0.113 -1.828 -0.285) 1.854 5.662 ( -12.064 -6.973 -3.843) 14.455 5.876 ( 9.581 -11.123 7.846) 16.646 7.020 ( 6.771 -5.345 -9.199) 12.611 7.699 ( 8.313 5.008 4.583) 10.732 7.840 ( 2.367 14.024 -0.698) 14.240 8.624 ( -1.156 -6.328 -6.805) 9.364 9.117 ( -10.693 -10.956 19.991) 25.180 10.240 ( -1.139 2.600 -12.537) 12.855 10.369 ( -3.136 -8.880 19.459) 21.618 10.944 ( 2.969 15.189 6.157) 16.657 11.020 ( 2.512 0.512 -6.090) 6.608 12.134 ( -19.901 -4.688 -8.257) 22.050 12.576 ( 5.102 -14.920 1.829) 15.874 13.463 ( -1.708 -0.787 0.612) 1.978 14.842 ( 3.047 7.149 0.541) 7.790 15.352 ( 5.665 17.250 -6.832) 19.399 16.405 ( -1.977 -11.032 2.823) 11.558 16.565 ( -0.643 -1.979 6.410) 6.739 ======================= Grid point 457 (167/172) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -0.000 0.000 10.617) 10.617 1.595 ( -0.000 0.000 10.617) 10.617 1.787 ( -0.000 0.000 7.105) 7.105 2.395 ( 0.000 -0.000 -13.100) 13.100 2.648 ( 0.000 0.000 -5.796) 5.796 2.648 ( 0.000 -0.000 -5.796) 5.796 3.875 ( -0.000 0.000 3.331) 3.331 3.875 ( -0.000 0.000 3.331) 3.331 4.255 ( -0.000 0.000 9.202) 9.202 4.717 ( 0.000 -0.000 -10.303) 10.303 5.146 ( 0.000 0.000 -1.468) 1.468 5.146 ( 0.000 -0.000 -1.468) 1.468 6.628 ( -0.000 0.000 0.033) 0.033 6.711 ( -0.000 0.000 9.406) 9.406 6.711 ( -0.000 0.000 9.406) 9.406 7.559 ( 0.000 -0.000 -19.140) 19.140 7.559 ( 0.000 -0.000 -19.140) 19.140 8.432 ( 0.000 -0.000 -10.095) 10.095 9.628 ( -0.000 0.000 4.123) 4.123 9.628 ( -0.000 0.000 4.123) 4.123 10.706 ( -0.000 0.000 3.974) 3.974 10.706 ( -0.000 0.000 3.974) 3.974 12.384 ( 0.000 -0.000 -1.371) 1.371 12.384 ( 0.000 -0.000 -1.371) 1.371 13.429 ( -0.000 0.000 9.605) 9.605 13.447 ( -0.000 0.000 0.701) 0.701 13.447 ( -0.000 0.000 0.701) 0.701 14.578 ( -0.000 0.000 1.611) 1.611 16.637 ( -0.000 0.000 2.679) 2.679 17.201 ( 0.000 -0.000 -5.178) 5.178 ======================= Grid point 458 (168/172) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -1.935 -3.213 9.392) 10.113 1.749 ( 3.925 3.065 4.156) 6.487 1.847 ( 1.484 1.514 4.306) 4.800 2.291 ( -2.476 -0.317 -11.005) 11.284 2.574 ( 1.786 0.119 2.275) 2.895 2.718 ( 4.472 2.649 -8.326) 9.815 3.716 ( -11.528 -7.801 5.156) 14.844 3.881 ( -3.764 -2.000 -2.776) 5.086 4.397 ( 6.168 4.169 9.945) 12.423 4.627 ( -2.488 0.769 -8.527) 8.916 5.128 ( 3.789 -6.563 0.309) 7.585 5.207 ( 1.403 7.423 -2.555) 7.975 6.406 ( -9.195 -13.720 0.630) 16.529 6.816 ( -2.575 10.148 8.165) 13.277 6.936 ( 2.541 -0.709 8.354) 8.760 7.277 ( -11.086 6.458 -13.558) 18.666 7.464 ( 6.065 -6.040 -16.393) 18.493 8.447 ( 8.756 -3.260 -4.535) 10.386 9.602 ( -3.596 -2.246 0.903) 4.335 9.799 ( 8.286 10.228 3.826) 13.708 10.638 ( -2.923 -7.186 6.719) 10.262 10.815 ( 3.361 5.309 -1.537) 6.468 11.945 ( -31.812 -12.843 -6.459) 34.909 12.250 ( -2.975 -7.921 4.687) 9.672 13.339 ( -8.725 -3.742 3.611) 10.157 13.497 ( 1.468 1.226 -2.442) 3.102 13.951 ( 29.374 16.775 5.569) 34.282 14.600 ( 1.278 1.166 -0.574) 1.823 16.634 ( -1.650 -0.874 1.927) 2.683 17.096 ( -6.163 -4.026 -4.262) 8.506 ======================= Grid point 459 (169/172) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -1.731 -2.677 7.040) 7.728 1.873 ( 6.654 2.950 2.018) 7.553 1.931 ( 3.005 2.670 3.793) 5.526 2.165 ( -3.919 -0.517 -7.511) 8.488 2.710 ( 5.523 4.645 4.604) 8.560 2.729 ( 3.076 -0.158 -9.076) 9.585 3.435 ( -14.608 -10.629 4.840) 18.703 3.702 ( -8.526 -3.721 -7.642) 12.039 4.563 ( -0.606 2.492 -6.405) 6.899 4.657 ( 10.082 5.613 9.757) 15.112 5.058 ( -3.461 -5.267 -3.142) 7.042 5.333 ( 5.037 4.183 2.212) 6.911 6.104 ( -10.140 -14.089 -0.778) 17.376 6.496 ( -28.993 -1.106 -4.605) 29.377 7.034 ( 3.862 -2.820 2.747) 5.515 7.385 ( 9.768 6.516 -2.787) 12.068 7.467 ( 6.820 2.925 -1.399) 7.552 8.575 ( 8.466 -1.471 3.896) 9.435 9.476 ( -6.907 -2.985 -4.686) 8.864 10.096 ( 8.620 12.394 7.774) 16.981 10.548 ( -1.966 -11.124 5.628) 12.621 10.899 ( 2.252 6.534 -6.602) 9.558 11.220 ( -27.016 -13.323 -17.035) 34.606 12.226 ( 1.920 -3.984 8.574) 9.647 13.112 ( -16.103 -6.587 5.183) 18.154 13.494 ( 0.229 0.437 -4.087) 4.116 14.607 ( 23.496 13.160 6.172) 27.628 14.650 ( 5.347 4.512 -3.252) 7.715 16.595 ( -2.573 -1.322 0.851) 3.015 16.867 ( -10.886 -7.226 -3.790) 13.605 ======================= Grid point 469 (170/172) ======================= q-point: ( 0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -4.223 0.646 3.898) 5.783 1.722 ( 3.799 1.964 1.089) 4.413 1.879 ( -0.032 2.242 3.465) 4.127 2.231 ( 0.679 -2.588 -6.395) 6.932 2.569 ( -0.439 0.260 5.197) 5.222 2.681 ( 0.058 5.844 -7.394) 9.425 3.797 ( -3.292 -11.212 -0.653) 11.704 3.806 ( 2.833 -8.930 2.548) 9.709 4.431 ( 0.231 3.044 8.606) 9.132 4.610 ( 1.056 4.555 -8.592) 9.782 5.092 ( -2.563 -2.727 2.424) 4.459 5.228 ( 1.607 7.475 -3.490) 8.404 6.405 ( -3.323 -15.283 0.645) 15.654 6.843 ( 2.147 -5.944 8.912) 10.925 7.041 ( -1.854 7.102 9.413) 11.936 7.136 ( 9.766 -7.195 -11.261) 16.551 7.400 ( -4.793 6.114 -13.235) 15.346 8.434 ( -3.650 8.918 -3.670) 10.311 9.608 ( -0.343 -6.048 0.754) 6.104 9.823 ( 2.658 14.573 0.979) 14.846 10.704 ( -4.693 -2.974 4.255) 6.998 10.777 ( 3.663 2.133 -1.307) 4.436 11.787 ( 0.709 -43.520 8.083) 44.270 12.379 ( -0.548 -1.483 -7.269) 7.439 13.403 ( -1.386 -6.757 -2.250) 7.255 13.433 ( 1.567 -0.485 3.583) 3.940 13.989 ( 0.078 34.676 1.998) 34.734 14.597 ( 0.175 0.894 -0.239) 0.942 16.643 ( 0.051 -2.124 1.236) 2.458 17.072 ( -0.221 -7.864 -2.160) 8.158 ======================= Grid point 470 (171/172) ======================= q-point: ( 0.60 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -1.080 -1.324 3.262) 3.682 1.810 ( 3.548 5.567 -1.124) 6.696 1.934 ( 1.837 3.035 0.355) 3.565 2.162 ( -1.669 -2.858 -2.727) 4.289 2.646 ( 1.477 1.721 1.219) 2.575 2.718 ( 2.969 6.032 -0.401) 6.735 3.576 ( -9.253 -13.455 2.977) 16.599 3.682 ( -5.003 -11.119 -1.903) 12.340 4.576 ( 7.413 0.354 5.705) 9.361 4.598 ( -1.824 9.245 -8.991) 13.024 5.078 ( -1.276 -2.359 4.946) 5.627 5.308 ( 3.432 5.978 -2.204) 7.237 6.163 ( -10.697 -15.198 6.289) 19.621 6.666 ( -2.983 -25.793 -3.141) 26.154 6.986 ( -9.224 7.990 -13.356) 18.092 7.306 ( 6.572 11.383 -2.347) 13.352 7.453 ( 7.204 6.571 8.130) 12.696 8.556 ( 5.072 8.329 9.862) 13.869 9.493 ( -4.480 -9.050 -0.161) 10.099 10.042 ( 7.886 13.280 -8.492) 17.626 10.644 ( -5.651 -3.289 12.177) 13.821 10.816 ( 3.672 -0.934 -5.804) 6.931 11.301 ( -16.843 -28.814 -3.808) 33.592 12.261 ( -4.802 -3.446 1.637) 6.133 13.273 ( -3.621 -11.856 0.073) 12.397 13.429 ( -1.169 0.255 -0.659) 1.366 14.475 ( 15.899 27.825 -0.141) 32.047 14.622 ( 1.749 2.931 -1.051) 3.571 16.611 ( -1.495 -2.547 -0.255) 2.965 16.920 ( -6.142 -10.626 1.064) 12.320 ======================= Grid point 580 (172/172) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -0.000 0.000 0.000) 0.000 1.709 ( -0.000 0.000 0.000) 0.000 1.867 ( 0.000 -0.000 -0.000) 0.000 2.239 ( -0.000 0.000 0.000) 0.000 2.584 ( -0.000 0.000 0.000) 0.000 2.584 ( -0.000 0.000 0.000) 0.000 3.911 ( -0.000 0.000 0.000) 0.000 3.911 ( -0.000 0.000 0.000) 0.000 4.414 ( 0.000 -0.000 -0.000) 0.000 4.553 ( -0.000 0.000 0.000) 0.000 5.128 ( -0.000 0.000 0.000) 0.000 5.128 ( -0.000 0.000 0.000) 0.000 6.626 ( -0.000 0.000 0.000) 0.000 6.880 ( 0.000 -0.000 -0.000) 0.000 6.880 ( 0.000 -0.000 -0.000) 0.000 7.290 ( -0.000 0.000 0.000) 0.000 7.290 ( -0.000 0.000 0.000) 0.000 8.327 ( -0.000 0.000 0.000) 0.000 9.670 ( -0.000 0.000 0.000) 0.000 9.670 ( -0.000 0.000 0.000) 0.000 10.748 ( -0.000 0.000 0.000) 0.000 10.748 ( -0.000 0.000 0.000) 0.000 12.370 ( -0.000 0.000 0.000) 0.000 12.370 ( -0.000 0.000 0.000) 0.000 13.453 ( -0.000 0.000 0.000) 0.000 13.453 ( -0.000 0.000 0.000) 0.000 13.531 ( -0.000 0.000 0.000) 0.000 14.594 ( -0.000 0.000 0.000) 0.000 16.668 ( -0.000 0.000 0.000) 0.000 17.142 ( -0.000 0.000 0.000) 0.000 =================== 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 3/30000 10.0 953.038 953.038 1493.257 0.000 -0.000 -0.000 3/30000 20.0 207.300 207.300 248.140 0.000 -0.000 -0.000 3/30000 30.0 93.451 93.451 102.427 0.000 -0.000 -0.000 3/30000 40.0 56.311 56.311 59.642 0.000 -0.000 -0.000 3/30000 50.0 38.787 38.787 40.444 0.000 -0.000 -0.000 3/30000 60.0 28.909 28.909 29.860 0.000 -0.000 -0.000 3/30000 70.0 22.722 22.722 23.307 0.000 -0.000 -0.000 3/30000 80.0 18.557 18.557 18.934 0.000 -0.000 -0.000 3/30000 90.0 15.602 15.602 15.853 0.000 -0.000 -0.000 3/30000 100.0 13.417 13.417 13.588 0.000 -0.000 -0.000 3/30000 110.0 11.748 11.748 11.866 0.000 -0.000 -0.000 3/30000 120.0 10.439 10.439 10.520 0.000 -0.000 -0.000 3/30000 130.0 9.387 9.387 9.443 0.000 -0.000 -0.000 3/30000 140.0 8.527 8.527 8.564 0.000 -0.000 -0.000 3/30000 150.0 7.811 7.811 7.834 0.000 -0.000 -0.000 3/30000 160.0 7.206 7.206 7.220 0.000 -0.000 -0.000 3/30000 170.0 6.690 6.690 6.696 0.000 -0.000 -0.000 3/30000 180.0 6.244 6.244 6.244 0.000 -0.000 -0.000 3/30000 190.0 5.855 5.855 5.850 0.000 -0.000 -0.000 3/30000 200.0 5.512 5.512 5.504 0.000 -0.000 -0.000 3/30000 210.0 5.209 5.209 5.197 0.000 -0.000 -0.000 3/30000 220.0 4.938 4.938 4.924 0.000 -0.000 -0.000 3/30000 230.0 4.694 4.694 4.679 0.000 -0.000 -0.000 3/30000 240.0 4.474 4.474 4.458 0.000 -0.000 -0.000 3/30000 250.0 4.275 4.275 4.257 0.000 -0.000 -0.000 3/30000 260.0 4.092 4.092 4.074 0.000 -0.000 -0.000 3/30000 270.0 3.925 3.925 3.906 0.000 -0.000 -0.000 3/30000 280.0 3.772 3.772 3.753 0.000 -0.000 -0.000 3/30000 290.0 3.630 3.630 3.611 0.000 -0.000 -0.000 3/30000 300.0 3.499 3.499 3.479 0.000 -0.000 -0.000 3/30000 310.0 3.378 3.378 3.358 0.000 -0.000 -0.000 3/30000 320.0 3.264 3.264 3.244 0.000 -0.000 -0.000 3/30000 330.0 3.159 3.159 3.138 0.000 -0.000 -0.000 3/30000 340.0 3.060 3.060 3.039 0.000 -0.000 -0.000 3/30000 350.0 2.967 2.967 2.947 0.000 -0.000 -0.000 3/30000 360.0 2.879 2.879 2.860 0.000 -0.000 -0.000 3/30000 370.0 2.797 2.797 2.778 0.000 -0.000 -0.000 3/30000 380.0 2.720 2.720 2.700 0.000 -0.000 -0.000 3/30000 390.0 2.647 2.647 2.627 0.000 -0.000 -0.000 3/30000 400.0 2.577 2.577 2.558 0.000 -0.000 -0.000 3/30000 410.0 2.511 2.511 2.493 0.000 -0.000 -0.000 3/30000 420.0 2.449 2.449 2.430 0.000 -0.000 -0.000 3/30000 430.0 2.390 2.390 2.371 0.000 -0.000 -0.000 3/30000 440.0 2.333 2.333 2.315 0.000 -0.000 -0.000 3/30000 450.0 2.279 2.279 2.261 0.000 -0.000 -0.000 3/30000 460.0 2.228 2.228 2.210 0.000 -0.000 -0.000 3/30000 470.0 2.179 2.179 2.161 0.000 -0.000 -0.000 3/30000 480.0 2.132 2.132 2.115 0.000 -0.000 -0.000 3/30000 490.0 2.087 2.087 2.070 0.000 -0.000 -0.000 3/30000 500.0 2.044 2.044 2.027 0.000 -0.000 -0.000 3/30000 510.0 2.003 2.003 1.986 0.000 -0.000 -0.000 3/30000 520.0 1.963 1.963 1.947 0.000 -0.000 -0.000 3/30000 530.0 1.925 1.925 1.909 0.000 -0.000 -0.000 3/30000 540.0 1.889 1.889 1.873 0.000 -0.000 -0.000 3/30000 550.0 1.853 1.853 1.838 0.000 -0.000 -0.000 3/30000 560.0 1.819 1.819 1.804 0.000 -0.000 -0.000 3/30000 570.0 1.787 1.787 1.771 0.000 -0.000 -0.000 3/30000 580.0 1.755 1.755 1.740 0.000 -0.000 -0.000 3/30000 590.0 1.725 1.725 1.710 0.000 -0.000 -0.000 3/30000 600.0 1.695 1.695 1.681 0.000 -0.000 -0.000 3/30000 610.0 1.667 1.667 1.652 0.000 -0.000 -0.000 3/30000 620.0 1.640 1.640 1.625 0.000 -0.000 -0.000 3/30000 630.0 1.613 1.613 1.599 0.000 -0.000 -0.000 3/30000 640.0 1.587 1.587 1.573 0.000 -0.000 -0.000 3/30000 650.0 1.563 1.563 1.549 0.000 -0.000 -0.000 3/30000 660.0 1.539 1.539 1.525 0.000 -0.000 -0.000 3/30000 670.0 1.515 1.515 1.502 0.000 -0.000 -0.000 3/30000 680.0 1.492 1.492 1.479 0.000 -0.000 -0.000 3/30000 690.0 1.471 1.471 1.457 0.000 -0.000 -0.000 3/30000 700.0 1.449 1.449 1.436 0.000 -0.000 -0.000 3/30000 710.0 1.428 1.428 1.415 0.000 -0.000 -0.000 3/30000 720.0 1.408 1.408 1.396 0.000 -0.000 -0.000 3/30000 730.0 1.389 1.389 1.376 0.000 -0.000 -0.000 3/30000 740.0 1.370 1.370 1.357 0.000 -0.000 -0.000 3/30000 750.0 1.351 1.351 1.339 0.000 -0.000 -0.000 3/30000 760.0 1.333 1.333 1.321 0.000 -0.000 -0.000 3/30000 770.0 1.316 1.316 1.304 0.000 -0.000 -0.000 3/30000 780.0 1.299 1.299 1.287 0.000 -0.000 -0.000 3/30000 790.0 1.282 1.282 1.270 0.000 -0.000 -0.000 3/30000 800.0 1.266 1.266 1.254 0.000 -0.000 -0.000 3/30000 810.0 1.250 1.250 1.238 0.000 -0.000 -0.000 3/30000 820.0 1.234 1.234 1.223 0.000 -0.000 -0.000 3/30000 830.0 1.219 1.219 1.208 0.000 -0.000 -0.000 3/30000 840.0 1.205 1.205 1.194 0.000 -0.000 -0.000 3/30000 850.0 1.190 1.190 1.179 0.000 -0.000 -0.000 3/30000 860.0 1.176 1.176 1.165 0.000 -0.000 -0.000 3/30000 870.0 1.163 1.163 1.152 0.000 -0.000 -0.000 3/30000 880.0 1.149 1.149 1.139 0.000 -0.000 -0.000 3/30000 890.0 1.136 1.136 1.126 0.000 -0.000 -0.000 3/30000 900.0 1.124 1.124 1.113 0.000 -0.000 -0.000 3/30000 910.0 1.111 1.111 1.101 0.000 -0.000 -0.000 3/30000 920.0 1.099 1.099 1.089 0.000 -0.000 -0.000 3/30000 930.0 1.087 1.087 1.077 0.000 -0.000 -0.000 3/30000 940.0 1.075 1.075 1.065 0.000 -0.000 -0.000 3/30000 950.0 1.064 1.064 1.054 0.000 -0.000 -0.000 3/30000 960.0 1.053 1.053 1.043 0.000 -0.000 -0.000 3/30000 970.0 1.042 1.042 1.032 0.000 -0.000 -0.000 3/30000 980.0 1.031 1.031 1.021 0.000 -0.000 -0.000 3/30000 990.0 1.021 1.021 1.011 0.000 -0.000 -0.000 3/30000 1000.0 1.010 1.010 1.001 0.000 -0.000 -0.000 3/30000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:23:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|