----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:19:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 2.983930238334052 1.722772926345226 4.923813506666662 b -2.983930238334046 1.722772926345226 4.923813506666662 c 0.000000000000003 -3.445545852690457 4.923813506666662 Atomic positions (fractional): *1 Y 0.14034197369612 0.14034197369612 0.14034197369612 88.906 2 Y 0.85965802630388 0.85965802630388 0.85965802630388 88.906 *3 Bi 0.35948681817402 0.35948681817402 0.35948681817402 208.980 4 Bi 0.64051318182598 0.64051318182598 0.64051318182598 208.980 *5 O 0.00526982553136 0.78296453151118 0.45616732400164 15.999 6 O 0.54383267599836 0.99473017446865 0.21703546848882 15.999 7 O 0.21703546848882 0.54383267599836 0.99473017446864 15.999 8 O 0.78296453151118 0.45616732400164 0.00526982553136 15.999 9 O 0.45616732400164 0.00526982553136 0.78296453151118 15.999 10 O 0.99473017446864 0.21703546848882 0.54383267599836 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.967860476668099 0.000000000000000 0.000000000000000 b -2.983930238334049 5.168318779035682 0.000000000000000 c 0.000000000000000 0.000000000000000 14.771440520000001 Atomic positions (fractional): *1 Y 0.00000000000000 0.00000000000000 0.14034197369612 88.906 > 1 2 Y 0.66666666666667 0.33333333333333 0.19299135963722 88.906 > 2 3 Y 0.66666666666667 0.33333333333333 0.47367530702945 88.906 > 1 4 Y 0.33333333333333 0.66666666666667 0.52632469297055 88.906 > 2 5 Y 0.33333333333333 0.66666666666667 0.80700864036278 88.906 > 1 6 Y 0.00000000000000 0.00000000000000 0.85965802630388 88.906 > 2 *7 Bi 0.33333333333333 0.66666666666667 0.02615348484068 208.980 > 3 8 Bi 0.33333333333333 0.66666666666667 0.30717984849265 208.980 > 4 9 Bi 0.00000000000000 0.00000000000000 0.35948681817402 208.980 > 3 10 Bi 0.00000000000000 0.00000000000000 0.64051318182598 208.980 > 4 11 Bi 0.66666666666667 0.33333333333333 0.69282015150735 208.980 > 3 12 Bi 0.66666666666667 0.33333333333333 0.97384651515931 208.980 > 4 *13 O 0.92380259851663 0.62529990301308 0.08146722701473 15.999 > 5 14 O 0.29196656967975 0.03483063782979 0.25186610631861 15.999 > 6 15 O 0.96516936217021 0.25713593184996 0.25186610631861 15.999 > 7 16 O 0.70149730449645 0.07619740148337 0.08146722701473 15.999 > 8 17 O 0.37470009698692 0.29850269550355 0.08146722701473 15.999 > 9 18 O 0.74286406815004 0.70803343032025 0.25186610631861 15.999 > 10 19 O 0.59046926518330 0.95863323634642 0.41480056034806 15.999 > 5 20 O 0.95863323634642 0.36816397116312 0.58519943965194 15.999 > 6 21 O 0.63183602883688 0.59046926518330 0.58519943965194 15.999 > 7 22 O 0.36816397116312 0.40953073481670 0.41480056034806 15.999 > 8 23 O 0.04136676365358 0.63183602883688 0.41480056034806 15.999 > 9 24 O 0.40953073481670 0.04136676365358 0.58519943965194 15.999 > 10 25 O 0.25713593184996 0.29196656967975 0.74813389368139 15.999 > 5 26 O 0.62529990301308 0.70149730449645 0.91853277298527 15.999 > 6 27 O 0.29850269550355 0.92380259851663 0.91853277298527 15.999 > 7 28 O 0.03483063782979 0.74286406815004 0.74813389368139 15.999 > 8 29 O 0.70803343032025 0.96516936217021 0.74813389368139 15.999 > 9 30 O 0.07619740148337 0.37470009698692 0.91853277298527 15.999 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.935720953336197 0.000000000000000 0.000000000000000 b -5.967860476668098 10.336637558071365 0.000000000000000 c 0.000000000000000 0.000000000000000 14.771440520000001 Atomic positions (fractional): *1 Y 0.00000000000000 0.00000000000000 0.14034197369612 88.906 > 1 2 Y 0.50000000000000 0.00000000000000 0.14034197369612 88.906 > 1 3 Y 0.00000000000000 0.50000000000000 0.14034197369612 88.906 > 1 4 Y 0.50000000000000 0.50000000000000 0.14034197369612 88.906 > 1 5 Y 0.33333333333333 0.16666666666667 0.19299135963722 88.906 > 2 6 Y 0.83333333333333 0.16666666666667 0.19299135963722 88.906 > 2 7 Y 0.33333333333333 0.66666666666667 0.19299135963722 88.906 > 2 8 Y 0.83333333333333 0.66666666666667 0.19299135963722 88.906 > 2 9 Y 0.33333333333333 0.16666666666667 0.47367530702945 88.906 > 1 10 Y 0.83333333333333 0.16666666666667 0.47367530702945 88.906 > 1 11 Y 0.33333333333333 0.66666666666667 0.47367530702945 88.906 > 1 12 Y 0.83333333333333 0.66666666666667 0.47367530702945 88.906 > 1 13 Y 0.16666666666667 0.33333333333333 0.52632469297055 88.906 > 2 14 Y 0.66666666666667 0.33333333333333 0.52632469297055 88.906 > 2 15 Y 0.16666666666667 0.83333333333333 0.52632469297055 88.906 > 2 16 Y 0.66666666666667 0.83333333333333 0.52632469297055 88.906 > 2 17 Y 0.16666666666667 0.33333333333333 0.80700864036278 88.906 > 1 18 Y 0.66666666666667 0.33333333333333 0.80700864036278 88.906 > 1 19 Y 0.16666666666667 0.83333333333333 0.80700864036278 88.906 > 1 20 Y 0.66666666666667 0.83333333333333 0.80700864036278 88.906 > 1 21 Y 0.00000000000000 0.00000000000000 0.85965802630388 88.906 > 2 22 Y 0.50000000000000 0.00000000000000 0.85965802630388 88.906 > 2 23 Y 0.00000000000000 0.50000000000000 0.85965802630388 88.906 > 2 24 Y 0.50000000000000 0.50000000000000 0.85965802630388 88.906 > 2 *25 Bi 0.16666666666667 0.33333333333333 0.02615348484068 208.980 > 3 26 Bi 0.66666666666667 0.33333333333333 0.02615348484068 208.980 > 3 27 Bi 0.16666666666667 0.83333333333333 0.02615348484068 208.980 > 3 28 Bi 0.66666666666667 0.83333333333333 0.02615348484068 208.980 > 3 29 Bi 0.16666666666667 0.33333333333333 0.30717984849265 208.980 > 4 30 Bi 0.66666666666667 0.33333333333333 0.30717984849265 208.980 > 4 31 Bi 0.16666666666667 0.83333333333333 0.30717984849265 208.980 > 4 32 Bi 0.66666666666667 0.83333333333333 0.30717984849265 208.980 > 4 33 Bi 0.00000000000000 0.00000000000000 0.35948681817402 208.980 > 3 34 Bi 0.50000000000000 0.00000000000000 0.35948681817402 208.980 > 3 35 Bi 0.00000000000000 0.50000000000000 0.35948681817402 208.980 > 3 36 Bi 0.50000000000000 0.50000000000000 0.35948681817402 208.980 > 3 37 Bi 0.00000000000000 0.00000000000000 0.64051318182598 208.980 > 4 38 Bi 0.50000000000000 0.00000000000000 0.64051318182598 208.980 > 4 39 Bi 0.00000000000000 0.50000000000000 0.64051318182598 208.980 > 4 40 Bi 0.50000000000000 0.50000000000000 0.64051318182598 208.980 > 4 41 Bi 0.33333333333333 0.16666666666667 0.69282015150735 208.980 > 3 42 Bi 0.83333333333333 0.16666666666667 0.69282015150735 208.980 > 3 43 Bi 0.33333333333333 0.66666666666667 0.69282015150735 208.980 > 3 44 Bi 0.83333333333333 0.66666666666667 0.69282015150735 208.980 > 3 45 Bi 0.33333333333333 0.16666666666667 0.97384651515931 208.980 > 4 46 Bi 0.83333333333333 0.16666666666667 0.97384651515931 208.980 > 4 47 Bi 0.33333333333333 0.66666666666667 0.97384651515931 208.980 > 4 48 Bi 0.83333333333333 0.66666666666667 0.97384651515931 208.980 > 4 *49 O 0.46190129925831 0.31264995150654 0.08146722701473 15.999 > 5 50 O 0.96190129925831 0.31264995150654 0.08146722701473 15.999 > 5 51 O 0.46190129925831 0.81264995150654 0.08146722701473 15.999 > 5 52 O 0.96190129925831 0.81264995150654 0.08146722701473 15.999 > 5 53 O 0.14598328483988 0.01741531891489 0.25186610631861 15.999 > 6 54 O 0.64598328483988 0.01741531891489 0.25186610631861 15.999 > 6 55 O 0.14598328483988 0.51741531891489 0.25186610631861 15.999 > 6 56 O 0.64598328483988 0.51741531891489 0.25186610631861 15.999 > 6 57 O 0.48258468108511 0.12856796592498 0.25186610631861 15.999 > 7 58 O 0.98258468108511 0.12856796592498 0.25186610631861 15.999 > 7 59 O 0.48258468108511 0.62856796592498 0.25186610631861 15.999 > 7 60 O 0.98258468108511 0.62856796592498 0.25186610631861 15.999 > 7 61 O 0.35074865224823 0.03809870074169 0.08146722701473 15.999 > 8 62 O 0.85074865224823 0.03809870074169 0.08146722701473 15.999 > 8 63 O 0.35074865224823 0.53809870074169 0.08146722701473 15.999 > 8 64 O 0.85074865224823 0.53809870074169 0.08146722701473 15.999 > 8 65 O 0.18735004849346 0.14925134775177 0.08146722701473 15.999 > 9 66 O 0.68735004849346 0.14925134775177 0.08146722701473 15.999 > 9 67 O 0.18735004849346 0.64925134775177 0.08146722701473 15.999 > 9 68 O 0.68735004849346 0.64925134775177 0.08146722701473 15.999 > 9 69 O 0.37143203407502 0.35401671516012 0.25186610631861 15.999 > 10 70 O 0.87143203407502 0.35401671516012 0.25186610631861 15.999 > 10 71 O 0.37143203407502 0.85401671516012 0.25186610631861 15.999 > 10 72 O 0.87143203407502 0.85401671516012 0.25186610631861 15.999 > 10 73 O 0.29523463259165 0.47931661817321 0.41480056034806 15.999 > 5 74 O 0.79523463259165 0.47931661817321 0.41480056034806 15.999 > 5 75 O 0.29523463259165 0.97931661817321 0.41480056034806 15.999 > 5 76 O 0.79523463259165 0.97931661817321 0.41480056034806 15.999 > 5 77 O 0.47931661817321 0.18408198558156 0.58519943965194 15.999 > 6 78 O 0.97931661817321 0.18408198558156 0.58519943965194 15.999 > 6 79 O 0.47931661817321 0.68408198558156 0.58519943965194 15.999 > 6 80 O 0.97931661817321 0.68408198558156 0.58519943965194 15.999 > 6 81 O 0.31591801441844 0.29523463259165 0.58519943965194 15.999 > 7 82 O 0.81591801441844 0.29523463259165 0.58519943965194 15.999 > 7 83 O 0.31591801441844 0.79523463259165 0.58519943965194 15.999 > 7 84 O 0.81591801441844 0.79523463259165 0.58519943965194 15.999 > 7 85 O 0.18408198558156 0.20476536740835 0.41480056034806 15.999 > 8 86 O 0.68408198558156 0.20476536740835 0.41480056034806 15.999 > 8 87 O 0.18408198558156 0.70476536740835 0.41480056034806 15.999 > 8 88 O 0.68408198558156 0.70476536740835 0.41480056034806 15.999 > 8 89 O 0.02068338182679 0.31591801441844 0.41480056034806 15.999 > 9 90 O 0.52068338182679 0.31591801441844 0.41480056034806 15.999 > 9 91 O 0.02068338182679 0.81591801441844 0.41480056034806 15.999 > 9 92 O 0.52068338182679 0.81591801441844 0.41480056034806 15.999 > 9 93 O 0.20476536740835 0.02068338182679 0.58519943965194 15.999 > 10 94 O 0.70476536740835 0.02068338182679 0.58519943965194 15.999 > 10 95 O 0.20476536740835 0.52068338182679 0.58519943965194 15.999 > 10 96 O 0.70476536740835 0.52068338182679 0.58519943965194 15.999 > 10 97 O 0.12856796592498 0.14598328483988 0.74813389368139 15.999 > 5 98 O 0.62856796592498 0.14598328483988 0.74813389368139 15.999 > 5 99 O 0.12856796592498 0.64598328483988 0.74813389368139 15.999 > 5 100 O 0.62856796592498 0.64598328483988 0.74813389368139 15.999 > 5 101 O 0.31264995150654 0.35074865224823 0.91853277298527 15.999 > 6 102 O 0.81264995150654 0.35074865224823 0.91853277298527 15.999 > 6 103 O 0.31264995150654 0.85074865224823 0.91853277298527 15.999 > 6 104 O 0.81264995150654 0.85074865224823 0.91853277298527 15.999 > 6 105 O 0.14925134775177 0.46190129925831 0.91853277298527 15.999 > 7 106 O 0.64925134775177 0.46190129925831 0.91853277298527 15.999 > 7 107 O 0.14925134775177 0.96190129925831 0.91853277298527 15.999 > 7 108 O 0.64925134775177 0.96190129925831 0.91853277298527 15.999 > 7 109 O 0.01741531891489 0.37143203407502 0.74813389368139 15.999 > 8 110 O 0.51741531891489 0.37143203407502 0.74813389368139 15.999 > 8 111 O 0.01741531891489 0.87143203407502 0.74813389368139 15.999 > 8 112 O 0.51741531891489 0.87143203407502 0.74813389368139 15.999 > 8 113 O 0.35401671516012 0.48258468108511 0.74813389368139 15.999 > 9 114 O 0.85401671516012 0.48258468108511 0.74813389368139 15.999 > 9 115 O 0.35401671516012 0.98258468108511 0.74813389368139 15.999 > 9 116 O 0.85401671516012 0.98258468108511 0.74813389368139 15.999 > 9 117 O 0.03809870074168 0.18735004849346 0.91853277298527 15.999 > 10 118 O 0.53809870074168 0.18735004849346 0.91853277298527 15.999 > 10 119 O 0.03809870074168 0.68735004849346 0.91853277298527 15.999 > 10 120 O 0.53809870074168 0.68735004849346 0.91853277298527 15.999 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6002993 0.0000003 0.0000000 -0.0000003 5.6002993 0.0000000 0.0000000 0.0000000 5.2391565 -------------------------- Born effective charges -------------------------- 1 Y 3.8370966 0.2664962 0.0000000 -0.2664962 3.8370966 -0.0000000 0.0000000 0.0000000 4.1918687 2 Y 3.8370966 0.2664962 0.0000000 -0.2664962 3.8370966 -0.0000000 0.0000000 0.0000000 4.1918687 3 Bi 4.7810591 -0.0968130 0.0000000 0.0968130 4.7810591 -0.0000000 0.0000000 0.0000000 3.4882839 4 Bi 4.7810591 -0.0968130 0.0000000 0.0968130 4.7810591 -0.0000000 0.0000000 0.0000000 3.4882839 5 O -2.7185359 -0.4049616 0.3534640 -0.2918395 -3.0269013 -0.7969989 0.6329297 -0.5945352 -2.5600509 6 O -3.2515336 -0.0158869 0.5134893 0.0972352 -2.4939035 0.7046083 0.1984177 0.8454008 -2.5600509 7 O -2.6480862 0.2511653 -0.8669533 0.3642875 -3.0973510 0.0923906 -0.8313474 -0.2508656 -2.5600509 8 O -2.6480862 0.2511653 -0.8669533 0.3642875 -3.0973510 0.0923906 -0.8313474 -0.2508656 -2.5600509 9 O -3.2515336 -0.0158869 0.5134893 0.0972352 -2.4939035 0.7046083 0.1984177 0.8454008 -2.5600509 10 O -2.7185359 -0.4049616 0.3534640 -0.2918395 -3.0269013 -0.7969989 0.6329297 -0.5945352 -2.5600509 ---------------------------------------------------------------------------- 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: 440 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): 0.012 Solver_block: 100 / 240 - Time: 1.084 Solver_block: 200 / 240 - Time: 1.061 Solver_block: 240 / 240 - Time: 0.480 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.652 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 440 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 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:20:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:20:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 2.983930238334052 1.722772926345226 4.923813506666662 b -2.983930238334046 1.722772926345226 4.923813506666662 c 0.000000000000003 -3.445545852690457 4.923813506666662 Atomic positions (fractional): 1 Y 0.14034197369612 0.14034197369612 0.14034197369612 88.906 2 Y 0.85965802630388 0.85965802630388 0.85965802630388 88.906 3 Bi 0.35948681817402 0.35948681817402 0.35948681817402 208.980 4 Bi 0.64051318182598 0.64051318182598 0.64051318182598 208.980 5 O 0.00526982553136 0.78296453151118 0.45616732400164 15.999 6 O 0.54383267599836 0.99473017446865 0.21703546848882 15.999 7 O 0.21703546848882 0.54383267599836 0.99473017446864 15.999 8 O 0.78296453151118 0.45616732400164 0.00526982553136 15.999 9 O 0.45616732400164 0.00526982553136 0.78296453151118 15.999 10 O 0.99473017446864 0.21703546848882 0.54383267599836 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.935720953336197 0.000000000000000 0.000000000000000 b -5.967860476668098 10.336637558071365 0.000000000000000 c 0.000000000000000 0.000000000000000 14.771440520000001 Atomic positions (fractional): 1 Y 0.00000000000000 0.00000000000000 0.14034197369612 88.906 > 1 2 Y 0.50000000000000 0.00000000000000 0.14034197369612 88.906 > 1 3 Y 0.00000000000000 0.50000000000000 0.14034197369612 88.906 > 1 4 Y 0.50000000000000 0.50000000000000 0.14034197369612 88.906 > 1 5 Y 0.33333333333333 0.16666666666667 0.19299135963722 88.906 > 5 6 Y 0.83333333333333 0.16666666666667 0.19299135963722 88.906 > 5 7 Y 0.33333333333333 0.66666666666667 0.19299135963722 88.906 > 5 8 Y 0.83333333333333 0.66666666666667 0.19299135963722 88.906 > 5 9 Y 0.33333333333333 0.16666666666667 0.47367530702945 88.906 > 1 10 Y 0.83333333333333 0.16666666666667 0.47367530702945 88.906 > 1 11 Y 0.33333333333333 0.66666666666667 0.47367530702945 88.906 > 1 12 Y 0.83333333333333 0.66666666666667 0.47367530702945 88.906 > 1 13 Y 0.16666666666667 0.33333333333333 0.52632469297055 88.906 > 5 14 Y 0.66666666666667 0.33333333333333 0.52632469297055 88.906 > 5 15 Y 0.16666666666667 0.83333333333333 0.52632469297055 88.906 > 5 16 Y 0.66666666666667 0.83333333333333 0.52632469297055 88.906 > 5 17 Y 0.16666666666667 0.33333333333333 0.80700864036278 88.906 > 1 18 Y 0.66666666666667 0.33333333333333 0.80700864036278 88.906 > 1 19 Y 0.16666666666667 0.83333333333333 0.80700864036278 88.906 > 1 20 Y 0.66666666666667 0.83333333333333 0.80700864036278 88.906 > 1 21 Y 0.00000000000000 0.00000000000000 0.85965802630388 88.906 > 5 22 Y 0.50000000000000 0.00000000000000 0.85965802630388 88.906 > 5 23 Y 0.00000000000000 0.50000000000000 0.85965802630388 88.906 > 5 24 Y 0.50000000000000 0.50000000000000 0.85965802630388 88.906 > 5 25 Bi 0.16666666666667 0.33333333333333 0.02615348484068 208.980 > 25 26 Bi 0.66666666666667 0.33333333333333 0.02615348484068 208.980 > 25 27 Bi 0.16666666666667 0.83333333333333 0.02615348484068 208.980 > 25 28 Bi 0.66666666666667 0.83333333333333 0.02615348484068 208.980 > 25 29 Bi 0.16666666666667 0.33333333333333 0.30717984849265 208.980 > 29 30 Bi 0.66666666666667 0.33333333333333 0.30717984849265 208.980 > 29 31 Bi 0.16666666666667 0.83333333333333 0.30717984849265 208.980 > 29 32 Bi 0.66666666666667 0.83333333333333 0.30717984849265 208.980 > 29 33 Bi 0.00000000000000 0.00000000000000 0.35948681817402 208.980 > 25 34 Bi 0.50000000000000 0.00000000000000 0.35948681817402 208.980 > 25 35 Bi 0.00000000000000 0.50000000000000 0.35948681817402 208.980 > 25 36 Bi 0.50000000000000 0.50000000000000 0.35948681817402 208.980 > 25 37 Bi 0.00000000000000 0.00000000000000 0.64051318182598 208.980 > 29 38 Bi 0.50000000000000 0.00000000000000 0.64051318182598 208.980 > 29 39 Bi 0.00000000000000 0.50000000000000 0.64051318182598 208.980 > 29 40 Bi 0.50000000000000 0.50000000000000 0.64051318182598 208.980 > 29 41 Bi 0.33333333333333 0.16666666666667 0.69282015150735 208.980 > 25 42 Bi 0.83333333333333 0.16666666666667 0.69282015150735 208.980 > 25 43 Bi 0.33333333333333 0.66666666666667 0.69282015150735 208.980 > 25 44 Bi 0.83333333333333 0.66666666666667 0.69282015150735 208.980 > 25 45 Bi 0.33333333333333 0.16666666666667 0.97384651515931 208.980 > 29 46 Bi 0.83333333333333 0.16666666666667 0.97384651515931 208.980 > 29 47 Bi 0.33333333333333 0.66666666666667 0.97384651515931 208.980 > 29 48 Bi 0.83333333333333 0.66666666666667 0.97384651515931 208.980 > 29 49 O 0.46190129925831 0.31264995150654 0.08146722701473 15.999 > 49 50 O 0.96190129925831 0.31264995150654 0.08146722701473 15.999 > 49 51 O 0.46190129925831 0.81264995150654 0.08146722701473 15.999 > 49 52 O 0.96190129925831 0.81264995150654 0.08146722701473 15.999 > 49 53 O 0.14598328483988 0.01741531891489 0.25186610631861 15.999 > 53 54 O 0.64598328483988 0.01741531891489 0.25186610631861 15.999 > 53 55 O 0.14598328483988 0.51741531891489 0.25186610631861 15.999 > 53 56 O 0.64598328483988 0.51741531891489 0.25186610631861 15.999 > 53 57 O 0.48258468108511 0.12856796592498 0.25186610631861 15.999 > 57 58 O 0.98258468108511 0.12856796592498 0.25186610631861 15.999 > 57 59 O 0.48258468108511 0.62856796592498 0.25186610631861 15.999 > 57 60 O 0.98258468108511 0.62856796592498 0.25186610631861 15.999 > 57 61 O 0.35074865224823 0.03809870074169 0.08146722701473 15.999 > 61 62 O 0.85074865224823 0.03809870074169 0.08146722701473 15.999 > 61 63 O 0.35074865224823 0.53809870074169 0.08146722701473 15.999 > 61 64 O 0.85074865224823 0.53809870074169 0.08146722701473 15.999 > 61 65 O 0.18735004849346 0.14925134775177 0.08146722701473 15.999 > 65 66 O 0.68735004849346 0.14925134775177 0.08146722701473 15.999 > 65 67 O 0.18735004849346 0.64925134775177 0.08146722701473 15.999 > 65 68 O 0.68735004849346 0.64925134775177 0.08146722701473 15.999 > 65 69 O 0.37143203407502 0.35401671516012 0.25186610631861 15.999 > 69 70 O 0.87143203407502 0.35401671516012 0.25186610631861 15.999 > 69 71 O 0.37143203407502 0.85401671516012 0.25186610631861 15.999 > 69 72 O 0.87143203407502 0.85401671516012 0.25186610631861 15.999 > 69 73 O 0.29523463259165 0.47931661817321 0.41480056034806 15.999 > 49 74 O 0.79523463259165 0.47931661817321 0.41480056034806 15.999 > 49 75 O 0.29523463259165 0.97931661817321 0.41480056034806 15.999 > 49 76 O 0.79523463259165 0.97931661817321 0.41480056034806 15.999 > 49 77 O 0.47931661817321 0.18408198558156 0.58519943965194 15.999 > 53 78 O 0.97931661817321 0.18408198558156 0.58519943965194 15.999 > 53 79 O 0.47931661817321 0.68408198558156 0.58519943965194 15.999 > 53 80 O 0.97931661817321 0.68408198558156 0.58519943965194 15.999 > 53 81 O 0.31591801441844 0.29523463259165 0.58519943965194 15.999 > 57 82 O 0.81591801441844 0.29523463259165 0.58519943965194 15.999 > 57 83 O 0.31591801441844 0.79523463259165 0.58519943965194 15.999 > 57 84 O 0.81591801441844 0.79523463259165 0.58519943965194 15.999 > 57 85 O 0.18408198558156 0.20476536740835 0.41480056034806 15.999 > 61 86 O 0.68408198558156 0.20476536740835 0.41480056034806 15.999 > 61 87 O 0.18408198558156 0.70476536740835 0.41480056034806 15.999 > 61 88 O 0.68408198558156 0.70476536740835 0.41480056034806 15.999 > 61 89 O 0.02068338182679 0.31591801441844 0.41480056034806 15.999 > 65 90 O 0.52068338182679 0.31591801441844 0.41480056034806 15.999 > 65 91 O 0.02068338182679 0.81591801441844 0.41480056034806 15.999 > 65 92 O 0.52068338182679 0.81591801441844 0.41480056034806 15.999 > 65 93 O 0.20476536740835 0.02068338182679 0.58519943965194 15.999 > 69 94 O 0.70476536740835 0.02068338182679 0.58519943965194 15.999 > 69 95 O 0.20476536740835 0.52068338182679 0.58519943965194 15.999 > 69 96 O 0.70476536740835 0.52068338182679 0.58519943965194 15.999 > 69 97 O 0.12856796592498 0.14598328483988 0.74813389368139 15.999 > 49 98 O 0.62856796592498 0.14598328483988 0.74813389368139 15.999 > 49 99 O 0.12856796592498 0.64598328483988 0.74813389368139 15.999 > 49 100 O 0.62856796592498 0.64598328483988 0.74813389368139 15.999 > 49 101 O 0.31264995150654 0.35074865224823 0.91853277298527 15.999 > 53 102 O 0.81264995150654 0.35074865224823 0.91853277298527 15.999 > 53 103 O 0.31264995150654 0.85074865224823 0.91853277298527 15.999 > 53 104 O 0.81264995150654 0.85074865224823 0.91853277298527 15.999 > 53 105 O 0.14925134775177 0.46190129925831 0.91853277298527 15.999 > 57 106 O 0.64925134775177 0.46190129925831 0.91853277298527 15.999 > 57 107 O 0.14925134775177 0.96190129925831 0.91853277298527 15.999 > 57 108 O 0.64925134775177 0.96190129925831 0.91853277298527 15.999 > 57 109 O 0.01741531891489 0.37143203407502 0.74813389368139 15.999 > 61 110 O 0.51741531891489 0.37143203407502 0.74813389368139 15.999 > 61 111 O 0.01741531891489 0.87143203407502 0.74813389368139 15.999 > 61 112 O 0.51741531891489 0.87143203407502 0.74813389368139 15.999 > 61 113 O 0.35401671516012 0.48258468108511 0.74813389368139 15.999 > 65 114 O 0.85401671516012 0.48258468108511 0.74813389368139 15.999 > 65 115 O 0.35401671516012 0.98258468108511 0.74813389368139 15.999 > 65 116 O 0.85401671516012 0.98258468108511 0.74813389368139 15.999 > 65 117 O 0.03809870074168 0.18735004849346 0.91853277298527 15.999 > 69 118 O 0.53809870074168 0.18735004849346 0.91853277298527 15.999 > 69 119 O 0.03809870074168 0.68735004849346 0.91853277298527 15.999 > 69 120 O 0.53809870074168 0.68735004849346 0.91853277298527 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6002993 0.0000003 0.0000000 -0.0000003 5.6002993 0.0000000 0.0000000 0.0000000 5.2391565 -------------------------- Born effective charges -------------------------- 1 Y 3.8370966 0.2664962 0.0000000 -0.2664962 3.8370966 -0.0000000 0.0000000 0.0000000 4.1918687 2 Y 3.8370966 0.2664962 0.0000000 -0.2664962 3.8370966 -0.0000000 0.0000000 0.0000000 4.1918687 3 Bi 4.7810591 -0.0968130 0.0000000 0.0968130 4.7810591 -0.0000000 0.0000000 0.0000000 3.4882839 4 Bi 4.7810591 -0.0968130 0.0000000 0.0968130 4.7810591 -0.0000000 0.0000000 0.0000000 3.4882839 5 O -2.7185359 -0.4049616 0.3534640 -0.2918395 -3.0269013 -0.7969989 0.6329297 -0.5945352 -2.5600509 6 O -3.2515336 -0.0158869 0.5134893 0.0972352 -2.4939035 0.7046083 0.1984177 0.8454008 -2.5600509 7 O -2.6480862 0.2511653 -0.8669533 0.3642875 -3.0973510 0.0923906 -0.8313474 -0.2508656 -2.5600509 8 O -2.6480862 0.2511653 -0.8669533 0.3642875 -3.0973510 0.0923906 -0.8313474 -0.2508656 -2.5600509 9 O -3.2515336 -0.0158869 0.5134893 0.0972352 -2.4939035 0.7046083 0.1984177 0.8454008 -2.5600509 10 O -2.7185359 -0.4049616 0.3534640 -0.2918395 -3.0269013 -0.7969989 0.6329297 -0.5945352 -2.5600509 ---------------------------------------------------------------------------- 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: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xy) -0.00000002 (xy) 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 23:20:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:20:14]------------------------- 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 2.983930238334052 1.722772926345226 4.923813506666662 b -2.983930238334046 1.722772926345226 4.923813506666662 c 0.000000000000003 -3.445545852690457 4.923813506666662 Atomic positions (fractional): 1 Y 0.14034197369612 0.14034197369612 0.14034197369612 88.906 2 Y 0.85965802630388 0.85965802630388 0.85965802630388 88.906 3 Bi 0.35948681817402 0.35948681817402 0.35948681817402 208.980 4 Bi 0.64051318182598 0.64051318182598 0.64051318182598 208.980 5 O 0.00526982553136 0.78296453151118 0.45616732400164 15.999 6 O 0.54383267599836 0.99473017446865 0.21703546848882 15.999 7 O 0.21703546848882 0.54383267599836 0.99473017446864 15.999 8 O 0.78296453151118 0.45616732400164 0.00526982553136 15.999 9 O 0.45616732400164 0.00526982553136 0.78296453151118 15.999 10 O 0.99473017446864 0.21703546848882 0.54383267599836 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.935720953336197 0.000000000000000 0.000000000000000 b -5.967860476668098 10.336637558071365 0.000000000000000 c 0.000000000000000 0.000000000000000 14.771440520000001 Atomic positions (fractional): 1 Y 0.00000000000000 0.00000000000000 0.14034197369612 88.906 > 1 2 Y 0.50000000000000 0.00000000000000 0.14034197369612 88.906 > 1 3 Y 0.00000000000000 0.50000000000000 0.14034197369612 88.906 > 1 4 Y 0.50000000000000 0.50000000000000 0.14034197369612 88.906 > 1 5 Y 0.33333333333333 0.16666666666667 0.19299135963722 88.906 > 5 6 Y 0.83333333333333 0.16666666666667 0.19299135963722 88.906 > 5 7 Y 0.33333333333333 0.66666666666667 0.19299135963722 88.906 > 5 8 Y 0.83333333333333 0.66666666666667 0.19299135963722 88.906 > 5 9 Y 0.33333333333333 0.16666666666667 0.47367530702945 88.906 > 1 10 Y 0.83333333333333 0.16666666666667 0.47367530702945 88.906 > 1 11 Y 0.33333333333333 0.66666666666667 0.47367530702945 88.906 > 1 12 Y 0.83333333333333 0.66666666666667 0.47367530702945 88.906 > 1 13 Y 0.16666666666667 0.33333333333333 0.52632469297055 88.906 > 5 14 Y 0.66666666666667 0.33333333333333 0.52632469297055 88.906 > 5 15 Y 0.16666666666667 0.83333333333333 0.52632469297055 88.906 > 5 16 Y 0.66666666666667 0.83333333333333 0.52632469297055 88.906 > 5 17 Y 0.16666666666667 0.33333333333333 0.80700864036278 88.906 > 1 18 Y 0.66666666666667 0.33333333333333 0.80700864036278 88.906 > 1 19 Y 0.16666666666667 0.83333333333333 0.80700864036278 88.906 > 1 20 Y 0.66666666666667 0.83333333333333 0.80700864036278 88.906 > 1 21 Y 0.00000000000000 0.00000000000000 0.85965802630388 88.906 > 5 22 Y 0.50000000000000 0.00000000000000 0.85965802630388 88.906 > 5 23 Y 0.00000000000000 0.50000000000000 0.85965802630388 88.906 > 5 24 Y 0.50000000000000 0.50000000000000 0.85965802630388 88.906 > 5 25 Bi 0.16666666666667 0.33333333333333 0.02615348484068 208.980 > 25 26 Bi 0.66666666666667 0.33333333333333 0.02615348484068 208.980 > 25 27 Bi 0.16666666666667 0.83333333333333 0.02615348484068 208.980 > 25 28 Bi 0.66666666666667 0.83333333333333 0.02615348484068 208.980 > 25 29 Bi 0.16666666666667 0.33333333333333 0.30717984849265 208.980 > 29 30 Bi 0.66666666666667 0.33333333333333 0.30717984849265 208.980 > 29 31 Bi 0.16666666666667 0.83333333333333 0.30717984849265 208.980 > 29 32 Bi 0.66666666666667 0.83333333333333 0.30717984849265 208.980 > 29 33 Bi 0.00000000000000 0.00000000000000 0.35948681817402 208.980 > 25 34 Bi 0.50000000000000 0.00000000000000 0.35948681817402 208.980 > 25 35 Bi 0.00000000000000 0.50000000000000 0.35948681817402 208.980 > 25 36 Bi 0.50000000000000 0.50000000000000 0.35948681817402 208.980 > 25 37 Bi 0.00000000000000 0.00000000000000 0.64051318182598 208.980 > 29 38 Bi 0.50000000000000 0.00000000000000 0.64051318182598 208.980 > 29 39 Bi 0.00000000000000 0.50000000000000 0.64051318182598 208.980 > 29 40 Bi 0.50000000000000 0.50000000000000 0.64051318182598 208.980 > 29 41 Bi 0.33333333333333 0.16666666666667 0.69282015150735 208.980 > 25 42 Bi 0.83333333333333 0.16666666666667 0.69282015150735 208.980 > 25 43 Bi 0.33333333333333 0.66666666666667 0.69282015150735 208.980 > 25 44 Bi 0.83333333333333 0.66666666666667 0.69282015150735 208.980 > 25 45 Bi 0.33333333333333 0.16666666666667 0.97384651515931 208.980 > 29 46 Bi 0.83333333333333 0.16666666666667 0.97384651515931 208.980 > 29 47 Bi 0.33333333333333 0.66666666666667 0.97384651515931 208.980 > 29 48 Bi 0.83333333333333 0.66666666666667 0.97384651515931 208.980 > 29 49 O 0.46190129925831 0.31264995150654 0.08146722701473 15.999 > 49 50 O 0.96190129925831 0.31264995150654 0.08146722701473 15.999 > 49 51 O 0.46190129925831 0.81264995150654 0.08146722701473 15.999 > 49 52 O 0.96190129925831 0.81264995150654 0.08146722701473 15.999 > 49 53 O 0.14598328483988 0.01741531891489 0.25186610631861 15.999 > 53 54 O 0.64598328483988 0.01741531891489 0.25186610631861 15.999 > 53 55 O 0.14598328483988 0.51741531891489 0.25186610631861 15.999 > 53 56 O 0.64598328483988 0.51741531891489 0.25186610631861 15.999 > 53 57 O 0.48258468108511 0.12856796592498 0.25186610631861 15.999 > 57 58 O 0.98258468108511 0.12856796592498 0.25186610631861 15.999 > 57 59 O 0.48258468108511 0.62856796592498 0.25186610631861 15.999 > 57 60 O 0.98258468108511 0.62856796592498 0.25186610631861 15.999 > 57 61 O 0.35074865224823 0.03809870074169 0.08146722701473 15.999 > 61 62 O 0.85074865224823 0.03809870074169 0.08146722701473 15.999 > 61 63 O 0.35074865224823 0.53809870074169 0.08146722701473 15.999 > 61 64 O 0.85074865224823 0.53809870074169 0.08146722701473 15.999 > 61 65 O 0.18735004849346 0.14925134775177 0.08146722701473 15.999 > 65 66 O 0.68735004849346 0.14925134775177 0.08146722701473 15.999 > 65 67 O 0.18735004849346 0.64925134775177 0.08146722701473 15.999 > 65 68 O 0.68735004849346 0.64925134775177 0.08146722701473 15.999 > 65 69 O 0.37143203407502 0.35401671516012 0.25186610631861 15.999 > 69 70 O 0.87143203407502 0.35401671516012 0.25186610631861 15.999 > 69 71 O 0.37143203407502 0.85401671516012 0.25186610631861 15.999 > 69 72 O 0.87143203407502 0.85401671516012 0.25186610631861 15.999 > 69 73 O 0.29523463259165 0.47931661817321 0.41480056034806 15.999 > 49 74 O 0.79523463259165 0.47931661817321 0.41480056034806 15.999 > 49 75 O 0.29523463259165 0.97931661817321 0.41480056034806 15.999 > 49 76 O 0.79523463259165 0.97931661817321 0.41480056034806 15.999 > 49 77 O 0.47931661817321 0.18408198558156 0.58519943965194 15.999 > 53 78 O 0.97931661817321 0.18408198558156 0.58519943965194 15.999 > 53 79 O 0.47931661817321 0.68408198558156 0.58519943965194 15.999 > 53 80 O 0.97931661817321 0.68408198558156 0.58519943965194 15.999 > 53 81 O 0.31591801441844 0.29523463259165 0.58519943965194 15.999 > 57 82 O 0.81591801441844 0.29523463259165 0.58519943965194 15.999 > 57 83 O 0.31591801441844 0.79523463259165 0.58519943965194 15.999 > 57 84 O 0.81591801441844 0.79523463259165 0.58519943965194 15.999 > 57 85 O 0.18408198558156 0.20476536740835 0.41480056034806 15.999 > 61 86 O 0.68408198558156 0.20476536740835 0.41480056034806 15.999 > 61 87 O 0.18408198558156 0.70476536740835 0.41480056034806 15.999 > 61 88 O 0.68408198558156 0.70476536740835 0.41480056034806 15.999 > 61 89 O 0.02068338182679 0.31591801441844 0.41480056034806 15.999 > 65 90 O 0.52068338182679 0.31591801441844 0.41480056034806 15.999 > 65 91 O 0.02068338182679 0.81591801441844 0.41480056034806 15.999 > 65 92 O 0.52068338182679 0.81591801441844 0.41480056034806 15.999 > 65 93 O 0.20476536740835 0.02068338182679 0.58519943965194 15.999 > 69 94 O 0.70476536740835 0.02068338182679 0.58519943965194 15.999 > 69 95 O 0.20476536740835 0.52068338182679 0.58519943965194 15.999 > 69 96 O 0.70476536740835 0.52068338182679 0.58519943965194 15.999 > 69 97 O 0.12856796592498 0.14598328483988 0.74813389368139 15.999 > 49 98 O 0.62856796592498 0.14598328483988 0.74813389368139 15.999 > 49 99 O 0.12856796592498 0.64598328483988 0.74813389368139 15.999 > 49 100 O 0.62856796592498 0.64598328483988 0.74813389368139 15.999 > 49 101 O 0.31264995150654 0.35074865224823 0.91853277298527 15.999 > 53 102 O 0.81264995150654 0.35074865224823 0.91853277298527 15.999 > 53 103 O 0.31264995150654 0.85074865224823 0.91853277298527 15.999 > 53 104 O 0.81264995150654 0.85074865224823 0.91853277298527 15.999 > 53 105 O 0.14925134775177 0.46190129925831 0.91853277298527 15.999 > 57 106 O 0.64925134775177 0.46190129925831 0.91853277298527 15.999 > 57 107 O 0.14925134775177 0.96190129925831 0.91853277298527 15.999 > 57 108 O 0.64925134775177 0.96190129925831 0.91853277298527 15.999 > 57 109 O 0.01741531891489 0.37143203407502 0.74813389368139 15.999 > 61 110 O 0.51741531891489 0.37143203407502 0.74813389368139 15.999 > 61 111 O 0.01741531891489 0.87143203407502 0.74813389368139 15.999 > 61 112 O 0.51741531891489 0.87143203407502 0.74813389368139 15.999 > 61 113 O 0.35401671516012 0.48258468108511 0.74813389368139 15.999 > 65 114 O 0.85401671516012 0.48258468108511 0.74813389368139 15.999 > 65 115 O 0.35401671516012 0.98258468108511 0.74813389368139 15.999 > 65 116 O 0.85401671516012 0.98258468108511 0.74813389368139 15.999 > 65 117 O 0.03809870074168 0.18735004849346 0.91853277298527 15.999 > 69 118 O 0.53809870074168 0.18735004849346 0.91853277298527 15.999 > 69 119 O 0.03809870074168 0.68735004849346 0.91853277298527 15.999 > 69 120 O 0.53809870074168 0.68735004849346 0.91853277298527 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6002993 0.0000003 0.0000000 -0.0000003 5.6002993 0.0000000 0.0000000 0.0000000 5.2391565 -------------------------- Born effective charges -------------------------- 1 Y 3.8370966 0.2664962 0.0000000 -0.2664962 3.8370966 -0.0000000 0.0000000 0.0000000 4.1918687 2 Y 3.8370966 0.2664962 0.0000000 -0.2664962 3.8370966 -0.0000000 0.0000000 0.0000000 4.1918687 3 Bi 4.7810591 -0.0968130 0.0000000 0.0968130 4.7810591 -0.0000000 0.0000000 0.0000000 3.4882839 4 Bi 4.7810591 -0.0968130 0.0000000 0.0968130 4.7810591 -0.0000000 0.0000000 0.0000000 3.4882839 5 O -2.7185359 -0.4049616 0.3534640 -0.2918395 -3.0269013 -0.7969989 0.6329297 -0.5945352 -2.5600509 6 O -3.2515336 -0.0158869 0.5134893 0.0972352 -2.4939035 0.7046083 0.1984177 0.8454008 -2.5600509 7 O -2.6480862 0.2511653 -0.8669533 0.3642875 -3.0973510 0.0923906 -0.8313474 -0.2508656 -2.5600509 8 O -2.6480862 0.2511653 -0.8669533 0.3642875 -3.0973510 0.0923906 -0.8313474 -0.2508656 -2.5600509 9 O -3.2515336 -0.0158869 0.5134893 0.0972352 -2.4939035 0.7046083 0.1984177 0.8454008 -2.5600509 10 O -2.7185359 -0.4049616 0.3534640 -0.2918395 -3.0269013 -0.7969989 0.6329297 -0.5945352 -2.5600509 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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 3.153 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 6.526 ( 0.000 0.000 0.000) 0.000 6.526 ( 0.000 0.000 0.000) 0.000 6.576 ( 0.000 0.000 0.000) 0.000 7.632 ( 0.000 0.000 0.000) 0.000 7.632 ( 0.000 0.000 0.000) 0.000 7.794 ( 0.000 0.000 0.000) 0.000 7.794 ( 0.000 0.000 0.000) 0.000 8.168 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.515 ( 0.000 0.000 0.000) 0.000 9.940 ( 0.000 0.000 0.000) 0.000 9.940 ( 0.000 0.000 0.000) 0.000 12.283 ( 0.000 0.000 0.000) 0.000 12.486 ( 0.000 0.000 0.000) 0.000 12.486 ( 0.000 0.000 0.000) 0.000 13.032 ( 0.000 0.000 0.000) 0.000 13.032 ( 0.000 0.000 0.000) 0.000 16.219 ( 0.000 0.000 0.000) 0.000 16.364 ( 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| 0.392 ( 14.388 6.498 13.631) 20.857 0.457 ( 15.729 12.954 10.009) 22.702 0.986 ( 40.646 22.605 5.865) 46.878 3.138 ( -1.382 -0.580 -0.546) 1.596 3.382 ( -15.773 -2.299 3.804) 16.387 3.441 ( -3.491 -11.174 -5.516) 12.942 3.827 ( 2.950 11.613 -4.640) 12.849 4.314 ( 8.195 -0.502 -8.197) 11.602 5.469 ( 2.629 1.427 -5.007) 5.833 6.220 ( -4.012 -2.417 -16.020) 16.690 6.392 ( -9.470 -6.716 12.695) 17.203 6.505 ( -2.047 1.652 -3.252) 4.183 6.721 ( 4.352 2.586 6.479) 8.222 7.547 ( -6.724 -23.023 13.842) 27.692 7.643 ( -19.076 9.253 9.251) 23.133 7.735 ( 0.853 -3.056 -11.374) 11.808 8.226 ( 15.288 11.131 -33.949) 38.861 8.823 ( -30.616 -21.336 -4.974) 37.647 9.188 ( -13.602 1.339 2.206) 13.845 9.427 ( 8.653 5.671 -2.395) 10.619 10.041 ( 13.078 -5.222 -1.088) 14.124 10.408 ( 19.663 12.077 0.891) 23.093 11.141 ( -16.483 -14.949 30.985) 38.147 12.207 ( -8.326 -0.119 6.659) 10.662 12.519 ( -0.748 6.409 -1.481) 6.620 13.087 ( 6.174 -3.237 3.595) 7.843 13.215 ( 13.125 11.350 -0.095) 17.352 16.033 ( 9.962 5.611 -50.595) 51.871 16.257 ( 4.332 2.615 -5.803) 7.700 17.062 ( -7.992 -4.625 29.348) 30.766 ======================= 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| 0.789 ( 14.763 6.670 12.067) 20.200 0.909 ( 16.544 11.466 7.997) 21.660 1.805 ( 27.406 16.619 2.862) 32.178 3.019 ( -16.763 -0.815 1.673) 16.866 3.184 ( 1.471 -2.941 -1.406) 3.577 3.252 ( -3.295 -8.817 -1.331) 9.507 3.869 ( -5.456 8.454 -8.302) 13.044 4.404 ( 6.386 -2.155 3.143) 7.436 5.494 ( 3.652 2.306 -9.405) 10.349 5.994 ( -6.403 -4.897 -12.013) 14.467 6.248 ( -10.096 -9.048 15.582) 20.655 6.452 ( -3.762 4.025 -4.757) 7.279 6.807 ( -1.045 -0.323 3.688) 3.847 7.148 ( -14.192 -30.142 3.219) 33.471 7.484 ( -20.367 5.506 19.913) 29.011 7.644 ( -1.091 1.460 -13.395) 13.518 8.085 ( -17.890 -6.990 0.107) 19.207 8.412 ( 4.986 3.306 -29.269) 29.874 9.007 ( -6.941 2.287 -5.296) 9.025 9.688 ( 13.208 10.183 -1.104) 16.714 10.212 ( 15.477 -8.117 -0.806) 17.495 10.640 ( 7.257 -16.876 6.651) 19.537 10.961 ( -12.010 2.400 13.661) 18.347 12.148 ( -8.879 7.406 7.378) 13.715 12.540 ( -2.893 7.138 -3.924) 8.644 13.193 ( 7.378 -6.444 6.108) 11.544 13.623 ( 18.936 13.853 1.875) 23.537 15.872 ( -1.271 -1.376 -24.476) 24.548 16.319 ( 2.935 2.156 -1.094) 3.802 17.072 ( -4.005 -1.829 11.039) 11.885 ======================= 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| 1.168 ( 13.853 6.975 8.685) 17.775 1.317 ( 15.169 7.209 4.434) 17.371 2.141 ( 1.165 3.565 -2.248) 4.373 2.738 ( -15.692 0.495 3.629) 16.113 3.040 ( -4.445 -14.626 -2.743) 15.531 3.426 ( 16.144 8.093 2.878) 18.287 3.720 ( -9.415 5.610 -8.811) 14.062 4.510 ( 3.677 -1.480 5.120) 6.475 5.504 ( -0.084 5.091 -8.704) 10.084 5.758 ( -4.165 -11.529 -4.692) 13.125 6.097 ( -9.757 -6.895 12.122) 17.020 6.414 ( -3.149 5.489 -2.405) 6.769 6.585 ( -9.891 -19.780 -0.602) 22.123 6.814 ( -6.011 -6.376 1.593) 8.907 7.361 ( -15.688 2.856 21.818) 27.024 7.554 ( -3.149 0.725 -3.501) 4.764 7.840 ( -8.008 5.461 -10.664) 14.411 8.267 ( -1.553 -4.751 -20.621) 21.218 8.937 ( 1.682 2.715 -12.718) 13.112 9.993 ( 9.715 11.300 -2.107) 15.051 10.398 ( 18.164 -11.521 0.822) 21.526 10.574 ( 2.055 -18.440 16.233) 24.653 10.946 ( -5.217 7.818 4.534) 10.435 12.120 ( -9.343 8.011 5.483) 13.473 12.491 ( -6.674 6.083 -6.150) 10.926 13.278 ( 5.120 -6.500 5.974) 10.206 14.108 ( 20.685 11.878 4.168) 24.214 15.637 ( -6.310 -4.675 -16.824) 18.567 16.380 ( 1.697 1.768 2.087) 3.219 17.030 ( -4.667 -1.590 2.974) 5.758 ======================= 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| 1.487 ( 11.105 4.670 4.088) 12.722 1.575 ( 7.932 1.495 0.355) 8.079 2.056 ( -7.941 2.135 -0.687) 8.252 2.580 ( -7.758 1.646 2.496) 8.314 2.769 ( -6.593 -14.546 -2.246) 16.127 3.459 ( -6.507 -1.470 -3.420) 7.497 3.932 ( 14.697 14.173 -0.620) 20.427 4.531 ( -1.681 -3.722 3.255) 5.222 5.390 ( -7.576 -3.095 -0.778) 8.221 5.742 ( 12.547 -1.574 -2.938) 12.982 5.953 ( -7.995 -2.495 5.374) 9.951 6.359 ( -9.412 2.725 -0.343) 9.805 6.368 ( -2.400 -9.039 1.361) 9.450 6.695 ( 0.547 -5.493 1.099) 5.628 7.316 ( -10.544 1.206 24.694) 26.878 7.516 ( 0.313 -1.864 -0.659) 2.002 7.678 ( -8.194 13.675 -27.933) 32.162 8.073 ( 0.271 -10.427 -5.417) 11.753 8.908 ( 1.267 1.743 -9.893) 10.124 10.150 ( 2.896 1.961 0.403) 3.521 10.536 ( 8.067 -8.424 0.980) 11.704 10.689 ( 9.077 -0.806 11.261) 14.487 10.989 ( 1.319 3.334 1.934) 4.074 12.058 ( -7.745 3.485 3.038) 9.020 12.366 ( -7.693 3.411 -5.443) 10.022 13.319 ( 2.046 -3.688 3.530) 5.500 14.575 ( 18.201 8.901 6.012) 21.134 15.352 ( -9.452 -6.019 -12.311) 16.648 16.438 ( 1.183 1.346 3.034) 3.524 16.938 ( -4.498 -1.537 -0.897) 4.837 ======================= 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| 1.627 ( 0.000 0.000 -0.000) 0.000 1.637 ( -0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 0.000) 0.000 2.495 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 -0.000 0.000) 0.000 4.481 ( 0.000 0.000 -0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.853 ( 0.000 0.000 0.000) 0.000 5.974 ( -0.000 -0.000 0.000) 0.000 6.164 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 -0.000 0.000) 0.000 6.709 ( 0.000 0.000 0.000) 0.000 7.353 ( 0.000 -0.000 0.000) 0.000 7.471 ( 0.000 0.000 0.000) 0.000 7.558 ( -0.000 0.000 -0.000) 0.000 8.013 ( 0.000 0.000 0.000) 0.000 8.891 ( 0.000 0.000 -0.000) 0.000 10.180 ( 0.000 -0.000 0.000) 0.000 10.564 ( 0.000 0.000 0.000) 0.000 10.823 ( 0.000 0.000 0.000) 0.000 11.039 ( 0.000 0.000 0.000) 0.000 12.008 ( 0.000 0.000 0.000) 0.000 12.287 ( 0.000 0.000 0.000) 0.000 13.329 ( 0.000 0.000 0.000) 0.000 14.892 ( -0.000 -0.000 -0.000) 0.000 15.103 ( 0.000 0.000 0.000) 0.000 16.470 ( 0.000 0.000 0.000) 0.000 16.880 ( 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| 0.433 ( 5.831 10.946 17.432) 21.393 0.589 ( -1.881 16.010 18.373) 24.442 1.057 ( -0.948 43.453 11.641) 44.995 3.128 ( 0.198 -2.072 -1.384) 2.500 3.291 ( -1.237 -13.747 -4.683) 14.576 3.524 ( 2.671 -6.120 2.446) 7.111 3.865 ( 13.574 6.794 -1.807) 15.286 4.148 ( -11.493 12.196 -16.331) 23.400 5.427 ( -0.098 2.748 -7.747) 8.221 6.071 ( 0.155 -9.664 -16.326) 18.973 6.450 ( -0.276 -3.586 2.458) 4.356 6.602 ( 0.314 3.265 5.669) 6.550 6.706 ( 1.586 -2.712 7.971) 8.568 7.249 ( 2.817 -11.488 -16.279) 20.123 7.521 ( -5.627 -25.504 6.634) 26.947 8.020 ( -3.310 10.995 -12.347) 16.861 8.229 ( 0.634 24.152 -6.981) 25.149 8.821 ( -5.125 -33.966 3.150) 34.494 9.123 ( 13.904 -13.514 -5.197) 20.073 9.447 ( 6.434 11.187 -1.414) 12.982 10.056 ( -21.572 7.197 1.598) 22.797 10.414 ( 7.205 24.252 -0.525) 25.305 11.248 ( -9.825 -41.477 22.847) 48.362 12.272 ( 6.441 -9.717 14.216) 18.385 12.609 ( 8.425 8.315 6.470) 13.490 13.013 ( -4.783 0.085 -2.514) 5.404 13.275 ( 0.728 17.496 4.758) 18.146 15.733 ( -0.358 38.714 -52.591) 65.305 16.245 ( 0.137 2.585 -0.202) 2.597 17.152 ( 0.084 -20.033 17.588) 26.658 ======================= 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| 0.815 ( 9.776 10.974 13.862) 20.203 0.878 ( 5.927 14.055 15.453) 21.714 1.680 ( 17.162 31.572 6.900) 36.591 3.056 ( -0.062 -12.806 -0.945) 12.841 3.163 ( -1.168 -1.447 -4.146) 4.544 3.387 ( -12.794 -3.210 3.926) 13.763 3.999 ( -6.814 8.585 -8.604) 13.934 4.160 ( 16.780 -4.652 -2.825) 17.641 5.410 ( 1.742 4.431 -11.197) 12.167 5.856 ( -0.650 -12.148 -13.390) 18.091 6.366 ( -5.740 -9.049 8.200) 13.494 6.608 ( -5.585 4.854 1.143) 7.488 6.802 ( 2.920 -3.179 5.500) 6.991 7.107 ( -12.315 -27.067 1.877) 29.796 7.270 ( 18.692 -14.259 -14.918) 27.844 7.766 ( -12.299 -10.744 -3.145) 16.631 8.216 ( -5.607 17.378 -22.232) 28.770 8.589 ( -19.303 0.197 14.971) 24.429 9.250 ( 18.419 -10.560 -4.957) 21.802 9.495 ( -18.730 10.370 12.273) 24.678 9.944 ( 8.224 7.377 -10.487) 15.233 10.547 ( -4.089 -12.915 7.073) 15.282 11.029 ( 6.032 -3.679 -2.825) 7.610 12.349 ( -0.786 -3.930 16.778) 17.251 12.673 ( -7.483 2.184 8.414) 11.470 13.052 ( 6.237 -1.814 -4.089) 7.676 13.576 ( 9.469 20.206 6.016) 23.112 15.746 ( -0.019 14.942 -30.135) 33.637 16.298 ( 2.506 3.767 -0.783) 4.592 17.078 ( 1.379 -14.362 8.136) 16.564 ======================= 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| 1.153 ( 8.006 11.148 11.987) 18.223 1.223 ( 9.619 10.625 8.091) 16.458 2.136 ( 6.192 11.551 -0.313) 13.110 2.904 ( -0.673 -14.979 -2.593) 15.217 3.034 ( -13.730 -1.731 2.084) 13.995 3.350 ( 5.939 10.385 4.004) 12.616 3.852 ( -8.370 2.740 -9.624) 13.045 4.348 ( 12.571 -7.590 0.977) 14.717 5.438 ( 4.785 6.208 -10.828) 13.367 5.619 ( -3.144 -16.600 -8.587) 18.952 6.213 ( -7.109 -12.974 9.571) 17.620 6.492 ( -9.219 -12.774 -6.172) 16.919 6.595 ( -5.545 -2.408 -0.398) 6.058 6.899 ( -5.313 -1.091 5.284) 7.572 7.364 ( 14.343 -16.929 0.056) 22.188 7.582 ( -1.629 2.227 -5.362) 6.030 8.074 ( -6.524 6.106 -23.423) 25.070 8.320 ( -26.249 7.274 10.235) 29.098 9.181 ( -20.058 17.865 -2.880) 27.015 9.611 ( 24.597 -22.899 11.688) 35.580 10.162 ( 9.479 12.722 -8.858) 18.170 10.411 ( 5.400 -18.648 10.119) 21.893 11.090 ( -0.192 5.186 -3.400) 6.204 12.355 ( -7.541 -0.638 8.769) 11.583 12.622 ( -6.199 1.889 1.660) 6.690 13.094 ( 7.751 -9.101 1.991) 12.119 14.010 ( 13.723 19.028 5.872) 24.184 15.610 ( -5.900 4.309 -20.319) 21.593 16.375 ( 2.715 2.905 0.258) 3.984 17.012 ( 1.168 -11.332 1.415) 11.479 ======================= 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| 1.442 ( 6.052 7.796 7.055) 12.132 1.488 ( 7.564 7.267 3.443) 11.040 2.179 ( -4.409 2.301 -0.694) 5.022 2.692 ( -5.691 -11.049 -4.770) 13.313 2.812 ( -11.540 -1.888 4.405) 12.496 3.506 ( -3.601 -1.338 -4.414) 5.851 3.860 ( 9.908 14.819 -0.493) 17.833 4.447 ( 7.982 -8.260 0.770) 11.512 5.276 ( -4.357 -22.269 -6.038) 23.481 5.593 ( 8.639 7.727 -5.263) 12.730 6.020 ( -4.674 -9.517 2.587) 10.913 6.299 ( 0.133 -4.855 -3.480) 5.975 6.560 ( -1.725 1.261 2.842) 3.555 6.762 ( -13.306 0.762 1.613) 13.425 7.417 ( 6.394 -14.282 9.762) 18.443 7.568 ( -4.426 15.127 -20.782) 26.083 7.898 ( 1.984 -4.199 -10.379) 11.370 8.003 ( -25.867 7.395 8.940) 28.350 9.066 ( -12.161 15.375 1.703) 19.677 9.861 ( 22.101 -24.301 11.142) 34.686 10.294 ( 8.199 -0.770 -5.730) 10.033 10.583 ( 12.451 3.459 5.685) 14.117 11.087 ( -3.250 4.638 -0.242) 5.669 12.214 ( -9.273 -4.564 0.901) 10.375 12.479 ( -9.423 -2.119 -3.271) 10.197 13.175 ( 8.948 -9.543 4.318) 13.776 14.465 ( 14.807 16.263 6.422) 22.912 15.389 ( -8.614 1.262 -15.147) 17.471 16.441 ( 2.004 1.515 0.941) 2.682 16.909 ( -0.248 -9.924 -2.865) 10.332 ======================= 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| 1.587 ( 3.527 4.133 0.553) 5.462 1.674 ( 3.020 5.575 3.876) 7.432 2.049 ( -8.852 -7.689 0.358) 11.730 2.536 ( -3.001 2.350 -1.681) 4.166 2.698 ( -4.204 2.911 1.058) 5.221 3.383 ( -2.426 -2.041 -1.831) 3.661 4.149 ( 6.062 10.486 -3.209) 12.530 4.453 ( 0.772 -8.360 2.037) 8.639 5.037 ( 7.651 -20.675 -5.188) 22.647 5.728 ( 5.617 -4.336 -0.888) 7.151 6.030 ( 6.381 9.841 -1.816) 11.869 6.227 ( -4.215 -2.952 -4.605) 6.905 6.518 ( -16.752 11.536 -1.559) 20.400 6.618 ( 5.525 -5.318 2.350) 8.021 7.392 ( -7.649 9.335 -30.084) 32.414 7.440 ( 2.852 -11.940 11.371) 16.733 7.758 ( -16.633 7.234 13.911) 22.858 7.981 ( 6.096 2.669 3.765) 7.646 9.074 ( -8.234 12.618 9.522) 17.824 10.011 ( 12.906 -18.731 7.905) 24.081 10.386 ( 10.099 -6.651 -5.786) 13.405 10.823 ( 6.083 6.754 -0.853) 9.130 11.096 ( -2.222 5.347 1.869) 6.084 12.005 ( -5.484 -7.369 -4.843) 10.385 12.278 ( -4.863 -7.643 -1.192) 9.137 13.239 ( 5.929 -7.270 1.554) 9.509 14.882 ( 10.371 12.641 5.462) 17.239 15.166 ( -8.212 2.146 -8.079) 11.718 16.469 ( -0.067 0.071 -1.491) 1.495 16.807 ( 2.382 -8.165 -2.995) 9.017 ======================= 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| 1.646 ( -7.967 2.709 -1.172) 8.496 1.674 ( -7.151 -2.956 1.777) 7.939 1.907 ( 6.802 -2.068 0.564) 7.131 2.498 ( -1.805 0.831 -4.827) 5.220 2.814 ( 6.169 12.207 4.180) 14.301 3.394 ( 3.970 0.489 2.792) 4.878 4.077 ( -14.269 -6.627 -0.320) 15.736 4.449 ( 5.814 -2.246 -4.260) 7.549 5.075 ( 18.382 -12.637 -2.686) 22.467 5.770 ( 7.496 -4.236 -3.098) 9.150 6.010 ( -13.622 1.105 -2.711) 13.933 6.262 ( 8.284 8.115 -2.258) 11.815 6.426 ( -3.489 11.828 -7.357) 14.359 6.712 ( 5.086 0.920 1.249) 5.317 7.168 ( -7.788 10.183 -20.495) 24.174 7.451 ( 4.157 -8.485 2.998) 9.913 7.738 ( -4.025 -3.448 23.447) 24.038 8.169 ( 4.249 10.918 4.535) 12.562 9.149 ( -7.626 9.897 18.658) 22.455 10.041 ( 5.813 -16.164 4.017) 17.641 10.386 ( 7.704 -10.649 -12.703) 18.278 10.867 ( -5.479 7.731 -8.288) 12.589 11.096 ( -6.829 4.367 4.810) 9.425 11.876 ( 3.367 -7.477 -6.100) 10.220 12.222 ( 6.315 -7.248 4.151) 10.471 13.261 ( 4.422 -5.259 -2.267) 7.235 14.802 ( -17.409 0.807 -6.690) 18.667 15.346 ( 10.832 11.358 9.596) 18.396 16.422 ( -1.328 -0.953 -4.875) 5.142 16.813 ( 7.133 -6.032 -0.881) 9.383 ======================= 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| 1.348 ( -16.807 -3.427 -2.629) 17.353 1.488 ( -15.065 -5.442 -4.121) 16.540 2.104 ( 8.509 3.642 3.242) 9.807 2.516 ( 7.334 1.673 -3.552) 8.319 3.072 ( 7.059 7.409 4.023) 10.996 3.558 ( 9.348 3.408 6.820) 12.063 3.685 ( -20.405 -10.028 0.475) 22.741 4.447 ( 3.085 -4.525 -8.831) 10.391 5.338 ( 19.593 -4.046 5.129) 20.654 5.830 ( -5.945 -1.167 1.799) 6.320 5.863 ( 10.537 1.102 -11.617) 15.722 6.401 ( 2.322 5.479 1.036) 6.040 6.548 ( 10.784 10.750 -7.203) 16.845 6.793 ( 2.766 2.026 -2.092) 4.017 7.073 ( -0.591 7.552 -12.342) 14.481 7.468 ( 3.680 0.581 -4.295) 5.686 7.848 ( 2.446 -6.448 25.371) 26.291 8.377 ( 3.180 11.439 5.888) 13.252 9.239 ( -10.155 7.989 23.712) 27.004 9.928 ( -1.578 -21.422 4.810) 22.012 10.308 ( 12.008 -8.263 -27.777) 31.370 10.737 ( -8.852 6.557 -9.618) 14.624 11.046 ( -10.380 7.930 8.388) 15.524 11.864 ( 6.967 -8.325 -2.381) 11.114 12.354 ( 9.063 -3.633 5.767) 11.340 13.260 ( 3.446 -2.999 -5.708) 7.311 14.405 ( -24.152 -1.452 -4.590) 24.627 15.689 ( 8.652 10.115 11.525) 17.606 16.374 ( -0.423 0.217 -3.170) 3.205 16.873 ( 7.664 -6.213 -2.972) 10.304 ======================= 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| 1.013 ( -19.063 0.339 -3.091) 19.315 1.070 ( -20.042 -9.074 -5.218) 22.611 2.110 ( -15.495 -1.767 2.041) 15.728 2.742 ( 16.521 3.881 0.157) 16.972 3.225 ( 5.678 -0.797 0.896) 5.803 3.313 ( -12.020 -3.285 0.919) 12.495 3.806 ( 6.127 4.388 9.974) 12.502 4.381 ( 2.039 -4.264 -8.303) 9.554 5.585 ( 0.865 -0.899 9.088) 9.174 5.833 ( 12.573 -2.681 0.200) 12.857 6.018 ( 13.913 3.645 -12.998) 19.386 6.513 ( 1.192 6.156 7.544) 9.810 6.751 ( 0.863 -1.538 -0.810) 1.941 6.892 ( 21.379 -5.355 -10.103) 24.245 7.151 ( 9.983 10.466 -5.127) 15.346 7.547 ( 5.257 9.471 -8.585) 13.822 8.033 ( 6.945 -2.373 20.024) 21.327 8.571 ( 1.556 10.361 7.300) 12.769 9.248 ( -13.704 6.412 17.288) 22.974 9.671 ( -5.375 -22.113 2.942) 22.946 10.276 ( 10.265 -0.855 -26.988) 28.887 10.600 ( 0.705 -4.772 -11.569) 12.535 11.017 ( -11.618 9.871 9.328) 17.873 11.917 ( 7.048 -3.934 2.510) 8.453 12.477 ( 3.782 -1.712 5.428) 6.834 13.236 ( 0.882 -0.777 -7.299) 7.393 13.932 ( -26.639 -2.286 -1.528) 26.781 15.975 ( 6.512 6.424 10.356) 13.817 16.370 ( -0.944 2.094 2.254) 3.218 16.887 ( 5.324 -6.360 -7.422) 11.130 ======================= 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| 0.622 ( -19.901 -7.749 3.147) 21.587 0.704 ( -20.506 6.668 -1.344) 21.604 1.602 ( -40.165 -0.007 0.129) 40.165 3.054 ( 12.337 2.678 1.214) 12.683 3.214 ( 2.989 2.198 -0.167) 3.714 3.340 ( 10.072 -8.423 0.353) 13.134 3.939 ( -3.973 5.286 8.890) 11.080 4.329 ( 1.542 -2.286 -6.398) 6.967 5.544 ( -4.717 -0.068 -0.059) 4.717 6.111 ( 16.630 -2.148 5.808) 17.746 6.181 ( 9.690 2.706 -8.685) 13.291 6.621 ( -5.766 2.790 5.504) 8.445 6.680 ( 1.753 -2.173 -0.938) 2.945 7.102 ( 21.126 -7.694 -3.941) 22.827 7.511 ( 18.865 -1.072 6.102) 19.856 7.681 ( 3.900 11.916 -9.471) 15.713 8.343 ( 22.030 -2.406 6.155) 23.000 8.645 ( -8.044 4.559 -0.694) 9.272 9.218 ( -3.385 -0.071 10.759) 11.279 9.422 ( -3.948 -5.775 -2.882) 7.566 10.175 ( -8.164 4.468 -15.449) 18.036 10.539 ( 7.055 -9.847 -8.902) 15.033 10.958 ( -6.347 2.113 6.096) 9.050 12.066 ( 6.921 2.097 7.109) 10.141 12.538 ( -0.208 2.544 4.279) 4.983 13.160 ( -3.261 -2.768 -5.364) 6.861 13.492 ( -23.653 1.272 1.743) 23.751 16.141 ( 4.670 0.090 -0.296) 4.681 16.396 ( -1.049 -0.023 0.186) 1.066 16.864 ( 1.831 -0.120 0.390) 1.876 ======================= 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| 0.752 ( -12.984 11.734 14.159) 22.511 0.902 ( -4.919 13.597 15.363) 21.097 1.673 ( -15.792 29.748 6.546) 34.310 3.009 ( 5.689 -13.521 -3.106) 14.994 3.175 ( -0.837 -1.215 -3.094) 3.428 3.368 ( 5.979 -8.197 2.605) 10.476 3.745 ( 3.768 4.217 -9.045) 10.667 4.351 ( -9.146 1.357 -2.704) 9.634 5.408 ( -1.261 3.248 -11.361) 11.883 5.869 ( -0.974 -11.245 -11.797) 16.327 6.417 ( 2.729 1.637 -0.453) 3.215 6.544 ( 12.540 -3.044 9.956) 16.298 6.764 ( -6.333 -4.822 3.711) 8.782 7.061 ( -6.442 -18.864 -16.195) 25.684 7.388 ( -2.536 -23.993 6.669) 25.031 7.985 ( 13.493 2.185 7.974) 15.825 8.312 ( 18.712 0.985 -3.131) 18.998 8.335 ( 12.082 5.446 -13.879) 19.190 8.912 ( -1.410 -3.849 -12.410) 13.070 9.458 ( -5.319 1.386 0.961) 5.580 10.451 ( -2.351 14.616 8.806) 17.225 10.593 ( -11.618 9.923 -4.910) 16.048 11.115 ( -3.698 -32.751 13.648) 35.673 12.062 ( 13.123 -4.074 5.177) 14.684 12.532 ( 7.414 1.574 4.227) 8.678 13.244 ( -11.780 -0.716 3.056) 12.191 13.536 ( -7.114 24.147 6.293) 25.947 15.766 ( -0.516 15.955 -29.101) 33.191 16.285 ( -2.069 2.764 -1.170) 3.645 17.065 ( -0.898 -15.453 7.581) 17.236 ======================= 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| 0.901 ( 2.502 13.017 17.474) 21.933 1.095 ( -0.375 12.612 14.861) 19.495 1.896 ( 0.701 28.548 4.129) 28.854 2.886 ( 1.420 -16.635 -3.482) 17.055 3.157 ( 0.472 4.084 -2.669) 4.901 3.408 ( 4.920 -9.815 3.156) 11.424 3.849 ( 9.585 1.212 -9.494) 13.546 4.161 ( -9.963 1.374 -3.361) 10.604 5.345 ( 0.825 1.103 -13.247) 13.318 5.673 ( -1.189 -8.939 -8.761) 12.573 6.411 ( -5.135 -6.452 1.638) 8.407 6.596 ( 5.790 -9.794 -6.561) 13.134 6.735 ( 1.797 -9.361 2.943) 9.976 6.895 ( 4.234 -1.476 1.367) 4.688 7.028 ( -7.795 -26.193 0.563) 27.334 7.871 ( -13.229 -4.036 -7.925) 15.941 8.365 ( -6.634 5.226 -8.172) 11.751 8.667 ( 22.424 -4.833 2.502) 23.075 8.908 ( -1.184 -2.726 8.718) 9.211 9.631 ( 18.302 12.141 -7.651) 23.257 10.223 ( -26.615 7.466 2.688) 27.773 10.553 ( -14.523 -25.239 -1.844) 29.178 10.830 ( 11.177 7.426 -3.133) 13.780 12.321 ( 9.154 -9.003 17.877) 22.010 12.799 ( 13.468 1.832 1.319) 13.656 13.002 ( -15.325 0.645 1.146) 15.382 13.764 ( -0.322 22.809 8.426) 24.318 15.735 ( -1.413 15.009 -25.255) 29.412 16.295 ( 0.978 3.672 -2.284) 4.434 16.924 ( 1.080 -18.965 4.708) 19.571 ======================= 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| 1.222 ( 6.304 13.294 12.674) 19.419 1.324 ( 2.495 10.611 12.862) 16.859 2.169 ( 3.671 12.680 -0.827) 13.226 2.736 ( 1.583 -15.716 -0.792) 15.815 3.164 ( -4.831 1.361 -4.515) 6.751 3.411 ( 2.898 2.496 3.291) 5.046 3.880 ( 1.726 -3.158 -11.116) 11.684 4.074 ( 3.813 -3.991 -0.380) 5.533 5.287 ( 4.770 -5.427 -11.234) 13.357 5.535 ( -4.137 -1.535 -5.567) 7.103 6.229 ( -6.436 -15.271 2.628) 16.779 6.368 ( -2.230 -25.001 -8.817) 26.604 6.612 ( -0.965 -5.446 -0.868) 5.599 6.902 ( 11.195 -11.867 -4.027) 16.804 7.041 ( 1.199 6.651 11.263) 13.135 7.643 ( -6.449 1.137 1.238) 6.664 8.172 ( -12.553 10.221 -23.678) 28.683 8.788 ( -14.270 -4.929 10.926) 18.636 9.002 ( 23.076 -15.796 10.933) 30.026 9.858 ( -28.414 12.124 1.454) 30.927 10.013 ( 14.334 9.583 -12.960) 21.570 10.213 ( 2.618 -13.249 5.853) 14.719 11.040 ( 6.779 8.420 -7.109) 12.938 12.437 ( 1.177 -9.747 12.335) 15.766 12.787 ( -10.901 -1.350 7.046) 13.050 12.923 ( 4.413 -4.309 -4.486) 7.627 14.083 ( 6.165 20.543 8.624) 23.117 15.627 ( -5.317 6.679 -20.127) 21.863 16.348 ( 2.951 3.139 -2.558) 5.011 16.818 ( 4.742 -17.628 0.768) 18.271 ======================= 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| 1.503 ( 3.002 7.860 8.142) 11.709 1.531 ( 3.170 12.002 7.407) 14.455 2.236 ( -1.389 0.392 -0.473) 1.519 2.625 ( -0.268 -8.873 0.239) 8.880 2.978 ( -9.254 -4.285 -2.395) 10.476 3.511 ( -1.304 1.383 -5.788) 6.092 3.853 ( 6.149 6.769 -2.532) 9.489 4.134 ( 11.618 -10.320 -3.668) 15.967 5.156 ( -5.234 -15.880 -1.300) 16.770 5.492 ( 4.475 4.443 -7.064) 9.469 5.984 ( -1.896 -7.815 -5.061) 9.502 6.216 ( 2.096 -9.043 1.051) 9.342 6.536 ( -0.395 -7.271 0.777) 7.323 6.870 ( 2.370 -13.137 -2.023) 13.502 7.257 ( 5.476 8.505 7.496) 12.590 7.655 ( -1.745 12.426 -9.871) 15.965 7.886 ( -9.470 3.072 -10.812) 14.697 8.521 ( -20.838 -3.575 11.104) 23.880 9.283 ( 23.360 -21.754 11.236) 33.840 9.565 ( -22.576 14.958 2.794) 27.225 10.046 ( 10.169 -7.966 -10.464) 16.624 10.487 ( 11.823 11.614 5.517) 17.468 11.133 ( 1.496 6.642 -5.161) 8.544 12.287 ( -8.732 -11.937 -0.889) 14.817 12.608 ( -11.870 -7.427 1.639) 14.098 12.971 ( 8.052 -5.226 3.831) 10.335 14.466 ( 10.492 17.426 8.174) 21.921 15.444 ( -7.055 3.815 -15.985) 17.884 16.407 ( 3.200 1.073 -1.934) 3.890 16.727 ( 4.128 -15.842 -3.030) 16.649 ======================= 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| 1.600 ( 1.189 2.949 2.365) 3.963 1.736 ( 0.899 10.621 4.659) 11.632 2.125 ( -7.954 -8.783 2.296) 12.069 2.595 ( -0.812 4.588 -0.630) 4.702 2.805 ( -5.439 -1.619 -0.315) 5.683 3.392 ( -3.136 -1.836 -3.956) 5.371 4.099 ( 11.787 9.674 -4.212) 15.820 4.193 ( 12.075 -12.135 -6.785) 18.414 4.871 ( -9.807 -15.614 4.067) 18.881 5.572 ( 6.358 -3.811 -3.843) 8.350 5.983 ( 5.560 6.672 -4.713) 9.881 6.209 ( 1.246 1.485 -5.119) 5.473 6.500 ( 3.794 -7.348 5.241) 9.790 6.746 ( -2.811 -8.127 -2.327) 8.909 7.330 ( -6.679 9.673 -13.851) 18.167 7.582 ( -6.727 7.897 -0.916) 10.414 7.952 ( 5.567 5.933 7.935) 11.365 8.210 ( -20.086 -0.400 9.914) 22.403 9.436 ( -7.465 12.304 0.362) 14.396 9.548 ( 19.130 -21.668 16.552) 33.308 10.083 ( 10.268 -8.377 -9.718) 16.433 10.783 ( 7.061 9.386 2.100) 11.931 11.187 ( 0.000 7.890 -0.676) 7.919 11.978 ( -8.353 -13.856 -6.985) 17.623 12.312 ( -10.798 -10.609 -0.929) 15.166 13.071 ( 6.453 -6.293 3.116) 9.537 14.872 ( 11.983 15.265 7.709) 20.881 15.270 ( -7.337 4.367 -10.474) 13.513 16.438 ( 1.679 -0.775 -3.814) 4.239 16.620 ( 4.170 -13.551 -3.452) 14.592 ======================= 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| 1.662 ( 2.521 -0.388 -0.023) 2.551 1.834 ( -0.113 5.161 2.870) 5.907 1.882 ( -12.258 -4.474 1.404) 13.124 2.561 ( -5.875 2.919 -4.957) 8.222 2.839 ( 4.989 5.213 3.881) 8.193 3.386 ( 1.774 3.328 2.815) 4.706 4.159 ( 4.506 -16.203 -7.615) 18.462 4.292 ( -0.320 9.543 -7.406) 12.084 4.690 ( 8.208 -13.390 6.952) 17.176 5.602 ( 5.388 -3.315 -2.933) 6.973 6.150 ( 9.271 5.524 -5.297) 12.022 6.160 ( -6.075 4.199 -6.609) 9.911 6.547 ( -3.605 -0.789 -4.828) 6.077 6.643 ( 3.454 -1.213 3.852) 5.314 7.229 ( -1.634 10.926 -14.684) 18.376 7.513 ( -10.979 1.573 6.798) 13.009 7.967 ( -9.887 -3.092 15.458) 18.608 8.234 ( 4.888 12.802 5.398) 14.728 9.472 ( -2.197 7.690 4.783) 9.319 9.737 ( 11.308 -17.417 14.281) 25.203 10.045 ( 6.697 -14.463 -13.836) 21.106 10.915 ( 0.313 5.966 -2.945) 6.661 11.264 ( -2.687 7.000 2.991) 8.072 11.721 ( -0.037 -9.795 -7.036) 12.060 12.114 ( -0.359 -7.364 1.700) 7.567 13.104 ( 4.420 -6.691 -0.551) 8.037 15.043 ( -11.847 6.804 -7.226) 15.455 15.325 ( 11.642 10.342 8.869) 17.921 16.378 ( 0.072 -3.282 -7.814) 8.475 16.606 ( 7.406 -8.473 0.138) 11.254 ======================= 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| 1.554 ( -10.546 -5.831 1.025) 12.094 1.664 ( -13.518 -0.044 -2.808) 13.807 1.988 ( 10.669 4.766 1.841) 11.829 2.485 ( -2.278 4.211 -2.499) 5.401 3.004 ( 7.111 -0.696 1.868) 7.385 3.534 ( 4.836 6.415 10.070) 12.882 3.910 ( -11.508 -9.693 -1.920) 15.169 4.254 ( 2.503 -3.195 -10.024) 10.814 4.968 ( 22.550 -0.761 3.811) 22.882 5.650 ( 5.212 -2.527 -1.176) 5.911 6.001 ( -11.712 2.298 -2.922) 12.288 6.316 ( 11.293 1.441 -6.056) 12.895 6.453 ( -0.138 4.449 -8.131) 9.270 6.730 ( 3.883 -0.134 -1.261) 4.084 7.240 ( -8.924 14.481 -7.452) 18.570 7.425 ( 1.580 -4.511 8.492) 9.744 7.951 ( -2.767 -0.737 13.584) 13.883 8.480 ( 3.939 13.532 6.647) 15.582 9.570 ( 5.532 -1.072 5.566) 7.921 9.752 ( -4.039 -9.092 10.346) 14.353 9.842 ( 3.640 -18.683 -19.636) 27.347 10.861 ( -7.920 4.743 -8.810) 12.761 11.243 ( -3.778 -2.177 4.323) 6.140 11.728 ( 5.767 0.375 3.199) 6.606 12.202 ( 10.574 0.825 3.629) 11.210 13.100 ( 4.475 -5.371 -4.156) 8.133 14.765 ( -20.707 3.030 -5.291) 21.586 15.677 ( 11.005 8.308 7.322) 15.613 16.332 ( 2.725 -1.176 -5.006) 5.820 16.665 ( 7.361 -6.206 0.314) 9.633 ======================= 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| 1.305 ( -17.234 -2.818 0.194) 17.464 1.339 ( -18.358 0.431 -1.137) 18.398 2.215 ( 5.398 2.239 1.953) 6.161 2.565 ( 8.983 4.156 1.489) 10.009 3.059 ( 6.105 -9.755 -0.610) 11.524 3.557 ( -16.322 -3.342 3.356) 16.995 3.855 ( 6.580 10.654 8.772) 15.289 4.200 ( 4.147 -4.488 -9.192) 11.038 5.390 ( 23.490 1.182 2.811) 23.687 5.744 ( 10.115 -1.617 0.817) 10.276 5.809 ( -9.268 0.119 -4.206) 10.178 6.473 ( 13.902 -5.150 -6.543) 16.205 6.522 ( 5.131 6.094 -1.759) 8.158 6.768 ( 1.730 -1.309 1.018) 2.396 7.137 ( -4.834 2.553 -1.105) 5.577 7.562 ( 4.210 11.106 0.185) 11.878 7.995 ( 2.812 -9.114 10.897) 14.481 8.710 ( 1.699 12.597 5.870) 14.001 9.532 ( -1.430 -21.068 -4.287) 21.548 9.548 ( -3.908 -1.051 -17.237) 17.706 9.840 ( 9.199 4.152 8.376) 13.115 10.654 ( -11.872 1.260 -10.481) 15.886 11.176 ( -2.442 -7.895 4.809) 9.562 11.901 ( 4.501 5.412 11.457) 13.447 12.434 ( 7.981 5.927 3.490) 10.536 13.104 ( 5.012 -2.939 -6.138) 8.452 14.365 ( -25.533 1.697 -2.713) 25.733 15.916 ( 8.449 1.168 -0.374) 8.538 16.365 ( 3.424 -1.184 -0.238) 3.631 16.742 ( 5.458 -0.345 2.274) 5.923 ======================= 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| 0.958 ( -19.605 0.063 5.770) 20.437 1.104 ( -17.691 6.926 2.830) 19.208 2.134 ( -17.062 1.918 0.218) 17.171 2.859 ( 15.584 2.045 5.050) 16.509 3.064 ( 8.718 -9.325 -3.421) 13.216 3.300 ( -11.919 1.380 1.071) 12.046 4.014 ( 2.246 -4.941 -2.680) 6.053 4.262 ( 4.243 7.885 3.965) 9.793 5.622 ( -6.454 0.150 -4.105) 7.650 5.799 ( 20.508 1.419 -5.389) 21.252 5.976 ( 13.774 -0.601 7.248) 15.576 6.576 ( 2.974 -4.852 -3.717) 6.797 6.660 ( 16.773 -5.824 -3.356) 18.070 6.776 ( 0.311 1.251 6.330) 6.460 7.236 ( 12.630 -2.211 9.713) 16.085 7.725 ( 0.796 16.535 -10.996) 19.874 8.012 ( 9.542 -21.276 9.394) 25.139 8.713 ( -4.261 -5.641 -13.943) 15.633 9.211 ( -7.119 -16.956 -5.438) 19.177 9.579 ( 0.463 27.872 -5.062) 28.331 10.168 ( 14.618 9.250 7.584) 18.888 10.362 ( -11.299 -4.213 -9.197) 15.166 11.068 ( -4.230 -9.963 5.525) 12.152 12.094 ( 2.974 1.148 13.486) 13.857 12.596 ( 1.483 6.349 0.803) 6.569 13.115 ( 1.993 -0.419 -3.158) 3.758 13.946 ( -25.370 3.569 0.587) 25.627 15.972 ( 6.226 -5.840 -12.093) 14.803 16.370 ( -0.508 -2.419 -0.942) 2.645 16.897 ( 4.783 5.611 9.242) 11.823 ======================= 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| 1.147 ( -9.045 11.440 9.114) 17.197 1.251 ( -11.389 12.175 10.791) 19.860 2.083 ( -5.524 8.525 -0.526) 10.172 2.744 ( 6.459 -12.822 0.504) 14.366 3.203 ( 6.719 -4.751 -0.892) 8.277 3.287 ( -11.936 4.403 -2.282) 12.926 3.635 ( 5.319 -0.773 -5.816) 7.919 4.461 ( -6.616 -2.246 -0.900) 7.045 5.360 ( -1.956 -3.345 -10.454) 11.149 5.754 ( -2.372 -6.871 -4.625) 8.616 6.284 ( 12.427 -7.340 -1.147) 14.479 6.434 ( 3.600 2.235 10.407) 11.236 6.795 ( 4.260 -3.790 2.296) 6.147 6.863 ( -2.947 -9.405 -13.143) 16.428 7.258 ( -4.181 -22.614 5.025) 23.539 7.711 ( 22.242 3.966 -9.307) 24.435 7.869 ( 15.707 -6.926 17.791) 24.722 8.336 ( 6.455 17.335 -14.018) 23.209 8.837 ( -1.136 2.777 -15.278) 15.570 9.646 ( -16.977 -5.331 -0.179) 17.796 10.630 ( 0.717 15.734 3.419) 16.117 10.788 ( -8.105 -10.256 5.012) 14.000 10.966 ( 4.196 -6.599 6.942) 10.457 11.923 ( 0.535 -5.446 2.083) 5.855 12.437 ( 5.494 -4.525 1.778) 7.337 13.350 ( -2.124 -3.129 3.648) 5.254 14.028 ( -14.690 24.130 7.914) 29.337 15.656 ( 6.632 6.274 -18.148) 20.315 16.341 ( -3.111 1.149 -1.239) 3.540 16.974 ( -1.607 -13.694 0.319) 13.791 ======================= 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| 1.209 ( -6.583 13.633 14.411) 20.902 1.323 ( -3.827 11.331 11.433) 16.545 2.124 ( -1.312 11.514 -0.511) 11.600 2.673 ( 1.235 -14.545 -2.232) 14.767 3.168 ( 1.261 -0.935 -2.562) 3.005 3.228 ( 3.828 -5.053 -2.052) 6.663 3.716 ( 3.851 3.138 -5.050) 7.084 4.286 ( -8.307 -2.230 -3.379) 9.241 5.209 ( -0.162 -9.565 -10.216) 13.996 5.638 ( -2.754 0.660 -3.211) 4.281 6.296 ( 3.255 -18.438 -6.885) 19.949 6.456 ( -5.360 0.848 -7.143) 8.971 6.658 ( -3.145 -11.168 0.619) 11.619 6.882 ( 0.240 -17.197 5.786) 18.146 6.910 ( 0.753 -1.728 4.101) 4.514 7.947 ( -1.845 1.393 -6.776) 7.159 8.185 ( 19.952 -9.667 18.038) 28.581 8.543 ( -3.754 15.917 -26.854) 31.441 8.868 ( 15.020 5.032 6.706) 17.201 9.436 ( 1.228 -1.618 -4.709) 5.128 10.397 ( -11.327 -30.436 -2.319) 32.558 10.741 ( -18.356 2.890 3.058) 18.832 10.838 ( 1.833 15.389 -1.496) 15.570 12.153 ( 13.805 -5.427 14.589) 20.806 12.580 ( 12.691 0.042 -0.392) 12.698 13.225 ( -9.038 -4.139 1.236) 10.017 14.139 ( -8.965 24.717 9.690) 28.021 15.691 ( 2.671 7.904 -18.454) 20.253 16.301 ( -0.866 1.879 -3.746) 4.279 16.763 ( -2.396 -19.712 0.025) 19.857 ======================= 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| 1.404 ( 0.541 14.858 15.988) 21.833 1.461 ( 0.149 7.996 9.378) 12.325 2.211 ( 1.476 5.363 -1.670) 5.808 2.537 ( 2.679 -14.716 -0.332) 14.962 3.184 ( -1.066 -3.708 -7.259) 8.221 3.267 ( 11.253 -1.282 -1.403) 11.412 3.706 ( 0.965 -4.282 -7.883) 9.023 4.138 ( -6.805 2.171 -1.962) 7.408 5.078 ( 3.644 -9.171 -6.398) 11.761 5.614 ( -4.438 6.256 -2.278) 8.001 6.046 ( 0.479 -24.567 -6.042) 25.304 6.174 ( -7.065 -16.394 -6.283) 18.925 6.550 ( 0.101 -3.250 -4.359) 5.438 6.730 ( -0.114 -9.537 4.110) 10.386 7.146 ( 4.758 5.979 13.551) 15.557 7.795 ( -8.717 0.337 -0.680) 8.750 8.305 ( -10.529 6.982 -20.592) 24.159 8.553 ( 17.923 -9.077 10.952) 22.882 8.979 ( -4.749 -8.842 6.528) 11.973 9.642 ( 18.607 2.388 -20.174) 27.549 10.040 ( 0.090 -10.510 5.267) 11.757 10.514 ( -20.487 12.671 4.526) 24.510 11.001 ( 4.089 11.779 -4.661) 13.311 12.325 ( 6.976 -14.836 13.283) 21.100 12.762 ( 8.547 -1.761 -3.540) 9.418 13.023 ( -12.190 -0.898 1.956) 12.378 14.319 ( -3.142 20.261 9.580) 22.631 15.623 ( -2.793 3.766 -17.025) 17.658 16.303 ( 2.278 2.020 -5.390) 6.190 16.568 ( 2.622 -20.125 0.418) 20.299 ======================= 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| 1.579 ( 0.549 3.288 5.454) 6.392 1.684 ( 2.560 15.691 11.400) 19.563 2.231 ( 0.028 -2.948 -0.006) 2.948 2.522 ( 6.162 -6.256 5.039) 10.124 3.017 ( -6.026 -5.996 -7.660) 11.443 3.439 ( 10.139 -1.194 -5.267) 11.487 3.587 ( 4.449 -12.126 -10.730) 16.792 4.077 ( -2.903 5.445 -1.656) 6.389 5.063 ( 3.520 -7.469 1.667) 8.424 5.477 ( -7.319 -3.268 -5.208) 9.559 5.876 ( 2.629 -4.162 -4.661) 6.779 6.024 ( 6.831 -14.624 1.450) 16.206 6.484 ( -0.822 -3.236 -3.411) 4.773 6.679 ( 1.159 -9.514 2.118) 9.815 7.355 ( 4.455 7.349 10.430) 13.515 7.732 ( -2.541 6.000 -5.550) 8.559 8.038 ( -10.752 5.528 -11.617) 16.767 8.746 ( -4.182 -10.424 9.668) 14.819 8.851 ( 9.944 -15.604 9.395) 20.752 9.657 ( 10.464 -6.044 -22.275) 25.342 10.074 ( -12.112 7.426 3.905) 14.734 10.516 ( 2.580 15.891 8.002) 17.978 11.136 ( 2.969 11.343 -5.615) 13.000 12.243 ( -3.416 -19.205 1.533) 19.566 12.716 ( -7.446 -9.519 0.116) 12.086 12.919 ( -1.525 3.737 3.099) 5.089 14.564 ( 4.020 16.081 9.165) 18.941 15.474 ( -4.899 2.586 -14.103) 15.152 16.330 ( 3.907 -0.111 -5.912) 7.087 16.457 ( 5.388 -17.914 -0.448) 18.712 ======================= 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| 1.613 ( -0.028 -0.666 1.402) 1.552 1.913 ( -1.214 14.439 6.751) 15.986 2.165 ( -3.246 -6.515 3.108) 7.914 2.636 ( 2.074 3.435 3.842) 5.556 2.822 ( -3.536 -5.790 -3.344) 7.563 3.372 ( -1.019 -4.149 -7.242) 8.408 3.645 ( 18.592 -13.585 -9.043) 24.739 4.132 ( 2.866 9.871 -3.662) 10.912 4.964 ( -8.635 -10.968 7.235) 15.723 5.413 ( 4.770 -1.572 -3.548) 6.149 5.913 ( 4.495 4.043 -4.896) 7.780 6.081 ( 10.692 -7.889 1.144) 13.336 6.439 ( 0.439 -0.292 -0.699) 0.876 6.612 ( 0.758 -8.491 1.327) 8.627 7.514 ( -7.441 12.132 -11.718) 18.436 7.683 ( 3.636 6.058 -1.405) 7.204 8.046 ( 0.687 7.624 12.804) 14.917 8.495 ( -14.044 -10.545 6.758) 18.817 9.019 ( 17.289 -17.684 9.068) 26.341 9.599 ( 5.868 -4.728 -19.918) 21.296 9.961 ( -9.116 6.542 3.465) 11.744 10.806 ( 6.316 12.009 6.027) 14.847 11.256 ( 1.275 12.546 -2.568) 12.870 11.922 ( -8.705 -18.699 -5.970) 21.473 12.419 ( -14.084 -10.825 0.286) 17.766 12.985 ( 2.242 0.260 3.091) 3.827 14.886 ( 9.638 13.428 9.164) 18.899 15.346 ( -4.692 4.495 -9.644) 11.629 16.319 ( 4.216 -8.731 -8.391) 12.823 16.404 ( 4.732 -8.493 0.759) 9.752 ======================= 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| 1.610 ( 1.198 -2.008 -0.153) 2.343 1.966 ( -6.805 4.526 2.671) 8.598 2.055 ( -8.293 -0.383 2.402) 8.642 2.643 ( -2.829 4.458 -4.151) 6.717 2.796 ( 3.102 -3.344 3.706) 5.877 3.388 ( 6.034 3.106 1.580) 6.968 3.727 ( 14.499 -14.164 -9.985) 22.595 4.312 ( 8.076 14.489 -6.904) 17.967 4.693 ( -13.452 -15.776 10.097) 23.060 5.495 ( 5.461 2.948 -0.072) 6.206 6.001 ( 7.035 0.681 -6.410) 9.542 6.184 ( 4.901 0.557 -3.516) 6.057 6.497 ( 2.648 -0.489 1.820) 3.250 6.588 ( 2.508 -3.027 4.429) 5.922 7.355 ( -8.406 12.375 -14.349) 20.729 7.744 ( -8.546 0.516 4.854) 9.842 8.195 ( -9.171 -6.062 15.738) 19.198 8.321 ( 3.149 11.474 3.669) 12.451 9.183 ( 15.472 -15.519 0.434) 21.919 9.556 ( 12.057 -10.778 -14.509) 21.727 9.926 ( -4.358 3.979 5.371) 7.980 10.988 ( -0.464 8.468 2.748) 8.915 11.387 ( -1.266 10.987 1.399) 11.148 11.593 ( -3.288 -13.506 -5.628) 14.996 12.122 ( -8.213 -7.045 0.145) 10.822 13.015 ( 0.874 -1.810 0.516) 2.075 15.217 ( -0.991 12.836 -4.356) 13.591 15.287 ( 5.797 3.027 7.548) 9.987 16.225 ( 3.538 -9.616 -7.843) 12.903 16.441 ( 5.635 -3.913 0.759) 6.902 ======================= 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| 1.605 ( -0.980 -2.113 0.794) 2.461 1.879 ( -11.890 -0.135 -1.737) 12.017 1.927 ( -0.164 1.986 1.023) 2.239 2.600 ( -5.723 5.175 -1.142) 7.800 2.862 ( 6.293 -5.377 0.239) 8.281 3.603 ( 6.770 7.897 9.600) 14.155 3.715 ( 7.927 -12.391 -9.017) 17.253 4.342 ( -12.537 -0.335 0.641) 12.558 4.658 ( 16.975 2.785 0.352) 17.205 5.631 ( 1.780 5.101 7.050) 8.882 6.055 ( 6.890 -2.839 -9.761) 12.281 6.215 ( -3.039 3.297 1.697) 4.794 6.445 ( -2.964 -0.261 -4.590) 5.470 6.665 ( 2.952 0.737 -0.232) 3.051 7.368 ( 4.076 3.366 2.584) 5.884 7.517 ( -14.255 -2.522 -0.196) 14.477 8.077 ( -6.354 -3.671 6.074) 9.526 8.597 ( 5.391 12.948 10.336) 17.423 9.195 ( 9.052 -11.387 -18.377) 23.437 9.503 ( 7.344 -17.831 -7.583) 20.721 10.003 ( -2.583 8.196 11.527) 14.377 10.996 ( -6.972 5.610 -2.100) 9.192 11.280 ( -6.256 -5.666 -1.895) 8.651 11.654 ( 8.507 3.533 5.667) 10.815 12.090 ( 6.600 2.453 1.823) 7.274 13.002 ( 0.478 -1.035 -1.973) 2.278 15.067 ( -15.086 3.889 -4.356) 16.177 15.587 ( 11.175 3.436 4.170) 12.413 16.193 ( 5.773 -4.730 -2.267) 7.800 16.527 ( 6.690 -0.818 1.598) 6.927 ======================= 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| 1.523 ( -8.693 1.056 0.824) 8.795 1.623 ( -15.520 -0.679 -0.503) 15.543 2.070 ( 11.630 1.312 0.510) 11.715 2.560 ( -2.337 3.109 0.922) 3.998 2.855 ( 3.971 -12.362 -0.668) 13.001 3.639 ( 3.686 -8.781 -5.159) 10.831 3.898 ( 4.241 11.651 11.569) 16.958 4.186 ( -6.173 1.424 0.175) 6.337 5.023 ( 21.259 5.831 -3.676) 22.348 5.711 ( -0.824 1.185 8.363) 8.486 5.970 ( -11.619 -0.906 -2.704) 11.964 6.221 ( 7.127 -0.740 -1.374) 7.296 6.480 ( 5.715 4.600 -2.786) 7.847 6.702 ( 2.732 -1.103 -0.778) 3.047 7.217 ( -7.038 -14.331 3.819) 16.417 7.588 ( 6.497 7.678 4.992) 11.229 7.958 ( -5.172 -6.645 0.338) 8.428 8.768 ( -0.472 -4.663 -3.923) 6.112 9.106 ( 13.438 -6.643 -19.787) 24.824 9.473 ( 2.373 4.757 -0.894) 5.391 10.089 ( -5.938 9.671 12.601) 16.958 10.837 ( -13.386 2.936 -5.470) 14.756 11.144 ( -2.749 -7.913 1.999) 8.613 11.901 ( 9.553 3.283 8.757) 13.369 12.340 ( 13.160 6.237 1.747) 14.667 13.006 ( 1.615 2.562 -2.267) 3.783 14.759 ( -21.280 1.847 -2.454) 21.500 15.725 ( 8.084 -5.726 -7.035) 12.151 16.281 ( 5.400 -1.679 5.594) 7.954 16.683 ( 7.745 4.596 3.486) 9.657 ======================= 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| 1.319 ( -16.590 3.034 4.004) 17.334 1.437 ( -11.735 5.901 1.897) 13.272 2.199 ( 3.305 -4.340 -1.060) 5.557 2.666 ( 9.605 -1.760 5.886) 11.401 2.821 ( 8.885 -7.244 -4.060) 12.162 3.564 ( -5.869 -0.641 -0.890) 5.971 3.902 ( -8.332 -1.549 -4.031) 9.384 4.326 ( 6.852 9.649 9.743) 15.329 5.411 ( 22.070 4.194 -5.181) 23.055 5.721 ( -9.126 -0.825 -5.751) 10.819 5.851 ( 7.348 0.405 11.776) 13.886 6.338 ( 8.456 -2.076 -0.257) 8.711 6.565 ( -1.189 0.235 -3.143) 3.368 6.718 ( 5.576 -7.383 1.466) 9.367 7.145 ( 5.951 -6.175 14.321) 16.692 7.740 ( 3.465 -18.998 2.357) 19.455 7.830 ( -1.885 13.622 -4.531) 14.479 8.498 ( -0.482 -16.771 -24.863) 29.994 9.099 ( 0.543 -7.952 -9.261) 12.219 9.752 ( 9.296 30.458 0.163) 31.845 10.227 ( 0.488 10.668 14.214) 17.779 10.550 ( -17.067 0.061 -4.441) 17.635 11.047 ( -2.036 -8.246 3.413) 9.154 12.099 ( 5.173 -2.653 9.461) 11.104 12.557 ( 7.017 -0.459 -3.323) 7.777 13.099 ( 3.239 8.693 2.110) 9.513 14.396 ( -23.253 3.719 0.540) 23.555 15.693 ( 6.899 -9.538 -13.755) 18.104 16.367 ( 1.126 -0.609 5.503) 5.650 16.894 ( 7.250 4.690 4.757) 9.858 ======================= 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| 1.435 ( -9.147 7.967 4.958) 13.104 1.573 ( -5.946 10.292 4.291) 12.637 2.055 ( 6.192 -4.220 -1.354) 7.615 2.589 ( 3.502 -5.202 2.372) 6.704 2.996 ( 11.595 -3.131 -2.415) 12.251 3.425 ( -1.781 -7.992 -4.996) 9.591 3.686 ( -13.820 11.663 -0.785) 18.101 4.506 ( -3.359 -4.250 -3.321) 6.354 5.271 ( -2.809 -16.052 -0.633) 16.308 5.757 ( -4.518 2.039 -2.575) 5.586 6.013 ( 9.656 -4.453 -0.745) 10.659 6.473 ( 6.100 3.799 8.194) 10.899 6.627 ( 9.908 1.145 1.947) 10.162 6.808 ( 4.015 3.647 -3.363) 6.383 7.119 ( -8.273 -24.641 -13.805) 29.431 7.435 ( 9.119 10.713 -5.722) 15.188 7.754 ( 8.825 -1.584 18.544) 20.598 8.269 ( 9.449 8.306 -2.159) 12.764 8.794 ( -2.650 4.926 -16.587) 17.505 9.862 ( -17.014 -9.671 -2.262) 19.700 10.674 ( -0.069 -20.232 8.195) 21.828 10.842 ( 0.157 19.264 -0.552) 19.272 10.997 ( 0.087 4.898 4.379) 6.571 11.940 ( -5.230 -5.147 4.331) 8.520 12.274 ( 5.317 -9.470 -1.758) 11.002 13.336 ( -0.177 -6.617 1.695) 6.833 14.543 ( -12.853 21.325 8.651) 26.359 15.443 ( 11.046 2.312 -11.819) 16.342 16.392 ( -3.640 -0.343 -1.992) 4.164 16.862 ( -1.814 -11.991 -3.660) 12.668 ======================= 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| 1.438 ( -2.940 7.184 5.695) 9.628 1.625 ( -6.154 12.484 7.710) 15.911 2.136 ( 5.341 0.494 -0.733) 5.413 2.601 ( -0.848 -4.061 3.937) 5.720 3.041 ( 2.576 -10.578 -0.446) 10.896 3.192 ( -6.883 -0.261 -9.906) 12.066 3.692 ( 0.525 3.641 -2.476) 4.434 4.361 ( -5.669 -0.763 -5.089) 7.656 5.052 ( -1.564 -17.372 -2.431) 17.611 5.688 ( -2.742 1.545 -0.007) 3.147 6.080 ( 2.921 -6.077 -4.089) 7.886 6.504 ( -10.405 -7.636 -14.949) 19.749 6.607 ( -2.356 -8.120 -1.822) 8.649 6.764 ( -0.567 -9.374 1.637) 9.532 6.912 ( 6.495 5.256 9.776) 12.860 7.853 ( 14.158 9.055 -4.723) 17.457 7.994 ( 12.128 2.091 18.090) 21.880 8.507 ( 7.109 13.929 -15.618) 22.102 8.717 ( 4.013 -0.263 -3.414) 5.275 9.475 ( -13.202 -11.404 -2.405) 17.610 10.312 ( -12.798 -25.995 0.599) 28.981 10.959 ( -2.817 12.745 -4.649) 13.856 11.023 ( -5.762 5.093 5.158) 9.261 12.014 ( 7.808 -2.429 11.915) 14.451 12.339 ( 12.519 -6.029 -1.698) 13.998 13.249 ( -1.455 -8.470 0.889) 8.640 14.620 ( -11.849 22.936 8.661) 27.230 15.555 ( 7.245 3.503 -12.155) 14.578 16.305 ( -2.456 -0.605 -5.602) 6.146 16.627 ( -4.723 -17.547 -3.373) 18.482 ======================= 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| 1.533 ( 1.622 4.880 5.343) 7.416 1.716 ( -4.443 13.440 9.591) 17.099 2.203 ( 1.883 0.569 -0.384) 2.004 2.489 ( -9.325 -4.573 6.504) 12.255 2.989 ( 7.104 -12.468 2.049) 14.495 3.119 ( 3.285 2.889 -15.295) 15.908 3.635 ( -2.325 -5.995 -6.008) 8.801 4.254 ( -5.927 2.555 -3.250) 7.227 4.906 ( 3.067 -9.702 -1.607) 10.301 5.706 ( 1.008 3.623 1.049) 3.904 5.906 ( -9.847 -11.888 -2.966) 15.719 6.073 ( -7.463 -16.780 -12.668) 22.310 6.518 ( -2.442 2.266 -7.418) 8.132 6.704 ( -1.567 -8.379 7.071) 11.076 7.183 ( 7.162 3.875 14.374) 16.520 7.894 ( -4.092 -0.006 -3.243) 5.221 8.377 ( 3.604 -2.829 17.225) 17.824 8.394 ( -2.844 11.792 -20.211) 23.571 8.873 ( 8.429 -9.580 -5.171) 13.768 9.288 ( 7.025 -3.234 -10.644) 13.157 10.007 ( -1.848 -6.931 6.888) 9.945 10.922 ( -12.448 8.319 3.343) 15.341 11.060 ( 0.049 12.557 -4.223) 13.248 12.134 ( 6.630 -17.011 12.010) 21.853 12.534 ( 14.444 -0.618 -4.225) 15.062 13.149 ( -4.037 -4.254 1.159) 5.978 14.689 ( -10.364 18.974 7.445) 22.866 15.560 ( 0.882 0.810 -12.354) 12.412 16.226 ( 0.814 -4.264 -7.890) 9.005 16.389 ( -2.069 -14.222 0.250) 14.374 ======================= 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| 1.613 ( 0.836 0.813 2.165) 2.459 1.880 ( 0.642 13.261 8.744) 15.897 2.196 ( -0.341 -3.561 0.232) 3.585 2.441 ( 1.514 -0.405 11.367) 11.474 2.954 ( -0.044 -7.581 -5.772) 9.529 3.153 ( 10.100 -3.720 -7.686) 13.225 3.454 ( -3.795 -8.360 -9.570) 13.262 4.156 ( -3.925 1.287 -3.507) 5.419 4.940 ( 5.849 -2.707 1.864) 6.709 5.562 ( -11.568 -9.499 -2.369) 15.155 5.768 ( 4.332 -3.365 -2.672) 6.101 5.862 ( -0.781 -2.929 -1.208) 3.263 6.453 ( -1.029 -0.904 -3.795) 4.034 6.646 ( -1.659 -6.074 4.572) 7.781 7.379 ( 4.375 0.607 10.898) 11.759 7.766 ( -4.514 -1.309 -7.548) 8.892 8.172 ( -7.718 5.476 -10.432) 14.085 8.626 ( 7.588 -3.780 15.285) 17.479 8.806 ( -1.900 -9.606 2.558) 10.121 9.284 ( 8.666 -2.420 -23.696) 25.347 10.170 ( 7.245 4.286 9.130) 12.419 10.799 ( -11.550 8.812 2.429) 14.729 11.198 ( 1.957 17.475 -4.260) 18.092 12.065 ( 1.639 -24.081 5.340) 24.721 12.666 ( 4.262 -2.726 -2.989) 5.876 13.054 ( -5.749 1.016 1.998) 6.170 14.766 ( -4.046 13.642 6.808) 15.774 15.465 ( -2.320 0.317 -10.298) 10.561 16.140 ( 4.374 -12.036 -5.397) 13.898 16.301 ( 1.044 -4.406 -0.406) 4.546 ======================= 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| 1.616 ( -0.674 -0.975 0.243) 1.210 2.071 ( 2.253 8.992 4.367) 10.248 2.154 ( -0.166 -4.153 1.846) 4.548 2.647 ( 7.132 3.972 13.470) 15.751 2.807 ( -3.964 -3.411 -7.165) 8.871 3.162 ( 3.868 -13.213 -11.150) 17.716 3.326 ( 6.041 -2.404 -3.095) 7.201 4.140 ( 1.933 4.933 -4.355) 6.859 4.979 ( -0.027 -8.585 4.948) 9.909 5.395 ( -2.863 2.199 1.165) 3.793 5.794 ( 9.802 -8.025 -1.244) 12.729 5.881 ( 1.027 3.255 -1.894) 3.903 6.438 ( 1.273 1.422 -0.819) 2.077 6.599 ( -1.724 -2.377 2.919) 4.140 7.577 ( 11.112 3.998 6.472) 13.466 7.612 ( -4.618 2.590 -16.328) 17.165 8.160 ( 1.585 0.737 11.635) 11.765 8.623 ( -9.801 -10.479 4.158) 14.938 8.804 ( 5.311 -1.608 10.897) 12.228 9.239 ( 8.509 -5.384 -23.670) 25.723 10.207 ( -9.401 1.757 0.164) 9.565 10.861 ( 4.524 9.128 5.176) 11.427 11.381 ( 0.362 20.566 -3.390) 20.847 11.811 ( -4.870 -23.241 -1.173) 23.774 12.551 ( -10.513 -6.753 0.502) 12.505 13.030 ( -2.005 4.056 1.106) 4.657 14.931 ( 5.017 8.993 7.639) 12.822 15.385 ( -2.075 3.141 -6.411) 7.434 16.074 ( 5.014 -11.350 -4.504) 13.200 16.298 ( 2.677 -2.414 -0.708) 3.673 ======================= 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| 1.591 ( -0.720 -0.887 -0.399) 1.210 2.065 ( -2.558 -4.787 0.611) 5.462 2.197 ( -3.283 4.168 0.360) 5.318 2.692 ( -1.854 4.910 -3.645) 6.390 2.784 ( -3.440 -4.340 6.120) 8.254 3.151 ( 17.514 -6.108 -4.685) 19.131 3.440 ( 7.495 0.034 0.455) 7.509 4.255 ( 7.167 9.100 -4.737) 12.515 4.815 ( -9.850 -13.311 5.697) 17.512 5.499 ( 3.786 10.885 5.023) 12.571 5.844 ( 5.137 -4.162 -5.316) 8.483 5.997 ( 10.875 -1.065 1.308) 11.005 6.509 ( 2.946 1.505 5.448) 6.373 6.592 ( -0.935 3.466 0.203) 3.596 7.449 ( -4.844 3.861 -16.540) 17.662 7.839 ( 4.035 4.338 3.408) 6.835 8.326 ( 1.943 -10.613 22.042) 24.541 8.401 ( -5.141 1.599 3.545) 6.446 8.933 ( 5.319 0.390 6.114) 8.113 9.124 ( 7.813 -11.237 -25.001) 28.502 10.059 ( -5.802 1.737 -1.976) 6.371 11.062 ( 4.408 6.246 3.759) 8.519 11.482 ( -3.336 -15.531 -2.704) 16.114 11.575 ( -3.349 18.584 -1.189) 18.921 12.261 ( -15.005 -6.185 1.756) 16.324 13.039 ( -2.043 3.373 -0.412) 3.965 15.191 ( 11.271 3.585 7.151) 13.821 15.358 ( -3.306 5.128 -2.637) 6.647 16.030 ( 3.964 -6.628 -3.067) 8.310 16.335 ( 4.310 -1.441 0.046) 4.545 ======================= 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| 1.588 ( 1.511 0.187 -0.106) 1.526 1.964 ( -3.921 -3.844 -0.869) 5.559 2.063 ( -10.819 -0.245 -3.570) 11.395 2.689 ( -2.604 -6.635 1.979) 7.397 2.762 ( 2.129 6.204 -0.768) 6.604 3.385 ( 12.809 -5.159 -2.775) 14.084 3.603 ( 9.884 5.677 5.949) 12.857 4.447 ( 5.649 -6.676 3.997) 9.615 4.572 ( -7.314 9.089 -2.522) 11.936 5.748 ( 2.569 11.365 11.801) 16.584 5.856 ( 6.347 -0.556 -7.246) 9.648 6.159 ( 8.807 -2.940 3.268) 9.843 6.558 ( -6.046 3.259 0.822) 6.917 6.638 ( 2.321 1.577 1.744) 3.304 7.311 ( -0.627 -4.372 -9.320) 10.314 7.726 ( -13.850 -5.483 3.418) 15.283 8.202 ( -9.280 -3.092 4.200) 10.646 8.606 ( 9.565 -5.565 17.736) 20.906 8.901 ( 0.278 -5.224 -30.700) 31.143 9.192 ( 14.762 3.659 3.882) 15.696 10.090 ( 4.814 6.988 1.435) 8.607 11.135 ( -3.218 3.561 -0.658) 4.845 11.277 ( -2.066 -10.991 -0.076) 11.184 11.714 ( -3.356 14.379 3.714) 15.225 12.062 ( -2.303 0.037 -0.311) 2.324 13.028 ( -2.303 4.114 -1.169) 4.858 15.283 ( -8.732 -0.443 1.641) 8.896 15.414 ( 10.401 -1.934 -2.859) 10.959 16.081 ( 5.261 0.913 5.176) 7.436 16.427 ( 6.670 1.747 0.794) 6.940 ======================= 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| 1.627 ( -0.511 1.651 1.479) 2.275 1.812 ( -10.240 -2.766 -2.923) 11.002 1.936 ( 2.952 -0.002 -2.442) 3.831 2.605 ( -1.241 -6.003 1.042) 6.218 2.776 ( -4.594 -1.060 0.474) 4.738 3.426 ( 5.192 -5.278 -4.638) 8.737 3.956 ( 13.926 8.322 11.041) 19.624 4.301 ( -7.236 -6.541 6.214) 11.566 4.818 ( 11.479 18.600 -6.286) 22.743 5.779 ( -1.650 -2.007 -0.647) 2.677 6.069 ( 4.798 8.323 8.580) 12.881 6.277 ( -4.603 -2.584 8.274) 9.815 6.407 ( -2.635 3.825 -4.813) 6.689 6.678 ( 0.078 2.534 -2.860) 3.822 7.141 ( -2.953 -23.774 6.166) 24.737 7.563 ( -0.348 -0.599 -0.574) 0.899 8.050 ( -7.090 -2.329 0.516) 7.481 8.566 ( -3.830 -11.968 -29.449) 32.018 8.811 ( 10.778 -8.375 10.032) 16.939 9.528 ( 8.390 19.876 2.847) 21.761 10.279 ( 1.997 10.931 3.571) 11.671 11.040 ( -9.110 2.325 -3.264) 9.952 11.157 ( -3.984 -7.356 2.488) 8.728 11.844 ( 4.789 8.168 4.749) 10.593 12.162 ( 10.661 1.588 -2.542) 11.074 13.055 ( -0.560 7.998 0.804) 8.058 15.072 ( -15.592 -0.976 0.755) 15.641 15.457 ( 7.423 -10.368 -9.074) 15.651 16.252 ( 4.932 2.129 10.666) 11.942 16.610 ( 8.904 6.227 1.938) 11.037 ======================= 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| 1.585 ( -8.645 4.140 -0.632) 9.606 1.625 ( -6.646 -0.015 1.132) 6.742 2.050 ( 8.026 -2.764 -0.399) 8.498 2.575 ( 5.728 -3.413 -2.501) 7.122 2.651 ( -4.501 -6.002 3.863) 8.438 3.444 ( 5.375 -4.121 -3.969) 7.850 4.162 ( -10.794 0.184 1.521) 10.902 4.318 ( 10.137 7.651 9.854) 16.075 5.154 ( 13.382 13.963 -4.636) 19.888 5.750 ( 0.461 1.115 -0.376) 1.264 6.004 ( -16.238 -1.224 5.359) 17.143 6.242 ( 6.565 -1.857 1.943) 7.094 6.538 ( 2.643 -8.854 0.771) 9.272 6.598 ( -3.194 2.783 -3.161) 5.285 7.069 ( 7.906 -9.486 20.207) 23.682 7.571 ( 2.472 -7.516 -0.133) 7.913 7.965 ( -2.553 5.104 -1.598) 5.927 8.150 ( -4.307 -14.849 -32.806) 36.267 8.938 ( 6.387 -6.071 1.641) 8.963 9.893 ( 7.261 22.964 4.001) 24.415 10.411 ( -0.529 11.429 4.086) 12.149 10.825 ( -15.335 -0.522 0.125) 15.344 11.054 ( -3.226 -3.787 1.719) 5.264 12.026 ( 5.484 0.225 3.315) 6.412 12.340 ( 11.908 -2.262 -4.521) 12.937 13.178 ( 1.941 10.297 3.859) 11.167 14.791 ( -18.669 2.254 2.428) 18.960 15.384 ( 6.935 -11.989 -11.903) 18.262 16.392 ( 1.883 1.083 8.168) 8.452 16.827 ( 7.746 4.453 1.777) 9.110 ======================= 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| 1.634 ( -3.193 4.430 -1.684) 5.715 1.703 ( 2.799 4.302 4.182) 6.621 1.926 ( -1.436 -4.947 2.230) 5.614 2.530 ( 2.550 2.141 -1.822) 3.796 2.770 ( 10.956 0.528 -0.234) 10.971 3.363 ( -0.627 -1.499 -0.005) 1.625 4.035 ( -15.703 7.705 -4.475) 18.055 4.431 ( 1.728 -7.579 -5.223) 9.365 5.156 ( -4.851 -20.553 3.994) 21.492 5.789 ( 0.523 -6.169 0.099) 6.192 6.018 ( -6.581 14.643 -1.777) 16.152 6.323 ( 17.092 0.294 1.433) 17.154 6.536 ( 10.207 8.175 3.923) 13.653 6.705 ( 3.376 -9.535 -0.076) 10.116 7.000 ( -11.248 0.542 -26.457) 28.754 7.475 ( -1.825 5.903 0.969) 6.254 7.811 ( 2.247 7.568 20.039) 21.538 8.157 ( 11.664 1.501 8.413) 14.460 8.818 ( -5.947 5.590 -11.651) 14.226 9.961 ( -11.132 -15.679 -3.497) 19.544 10.534 ( 1.052 -12.108 1.847) 12.293 10.975 ( 6.234 9.369 1.472) 11.349 11.048 ( -0.759 3.064 0.356) 3.177 12.014 ( 0.005 -3.470 6.098) 7.016 12.144 ( -7.812 -6.214 -3.074) 10.444 13.267 ( -0.785 -8.835 -1.452) 8.988 14.947 ( -4.499 14.050 5.894) 15.886 15.204 ( 9.793 2.349 -2.601) 10.402 16.417 ( -2.961 -1.335 -5.719) 6.577 16.789 ( -4.665 -7.973 -2.845) 9.665 ======================= 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| 1.575 ( -5.127 2.218 1.149) 5.703 1.812 ( -0.229 7.880 4.129) 8.899 2.005 ( 9.746 -1.073 3.021) 10.260 2.590 ( 2.443 4.018 -1.308) 4.881 2.888 ( 4.808 -5.644 -0.687) 7.446 3.309 ( -6.885 -0.248 0.009) 6.889 3.776 ( -13.099 1.306 -6.688) 14.766 4.375 ( 0.429 2.599 -7.524) 7.972 4.889 ( -2.805 -23.085 3.499) 23.516 5.747 ( -2.433 -1.296 3.117) 4.161 6.046 ( -1.546 7.150 -5.579) 9.200 6.381 ( -8.261 -21.739 -14.074) 27.183 6.580 ( 7.614 3.696 -3.434) 9.134 6.693 ( 1.592 -5.471 4.678) 7.372 6.986 ( 1.684 15.673 2.554) 15.969 7.649 ( 14.386 8.869 -3.075) 17.177 8.038 ( 4.814 10.152 12.474) 16.788 8.448 ( 7.819 4.126 11.811) 14.753 8.686 ( -4.948 6.014 -14.385) 16.358 9.552 ( -14.084 -18.344 -3.526) 23.394 10.311 ( -10.237 -17.345 0.721) 20.153 11.080 ( -1.013 7.148 -0.433) 7.232 11.129 ( 1.214 6.273 0.752) 6.433 12.009 ( 0.632 -10.230 9.193) 13.768 12.044 ( 6.822 -2.408 -4.723) 8.640 13.160 ( 0.774 -9.832 -0.165) 9.864 15.053 ( -8.055 18.733 6.257) 21.330 15.371 ( 9.379 0.544 -3.701) 10.098 16.285 ( -3.500 -3.287 -9.767) 10.883 16.564 ( -7.312 -11.121 -2.514) 13.545 ======================= 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| 1.565 ( 0.286 1.389 1.849) 2.331 1.910 ( -0.866 8.791 3.725) 9.587 2.171 ( 5.168 1.510 3.328) 6.329 2.677 ( 1.398 5.358 2.905) 6.253 2.825 ( -0.947 -10.379 0.385) 10.429 3.107 ( -12.890 2.528 -6.127) 14.494 3.577 ( -3.973 -6.548 -5.850) 9.638 4.342 ( -5.470 1.157 -2.931) 6.313 4.752 ( 5.263 -7.383 -0.134) 9.068 5.730 ( -1.987 0.439 3.788) 4.300 5.923 ( -5.464 -17.745 -13.189) 22.775 6.009 ( -9.115 0.131 -3.054) 9.614 6.569 ( -4.631 5.854 -10.181) 12.624 6.686 ( 0.343 -8.281 5.581) 9.991 7.215 ( 4.959 4.835 15.520) 16.995 7.882 ( 5.345 2.709 -2.701) 6.573 8.375 ( 9.402 8.316 -7.718) 14.735 8.509 ( -1.656 18.925 -11.720) 22.321 8.644 ( -2.837 -11.483 16.077) 19.959 9.165 ( -5.690 -12.845 -4.978) 14.904 10.049 ( -4.868 -5.611 4.651) 8.764 11.129 ( -4.299 1.515 1.997) 4.976 11.169 ( -0.684 13.832 -3.225) 14.220 11.949 ( 2.892 -20.120 7.631) 21.712 12.228 ( 16.641 1.705 -4.726) 17.383 13.114 ( 1.922 -6.314 1.581) 6.787 15.088 ( -11.761 15.290 3.501) 19.605 15.451 ( 4.319 -2.127 -4.891) 6.863 16.111 ( -2.445 -7.993 -8.456) 11.890 16.362 ( -4.971 -5.091 -0.476) 7.131 ======================= 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| 1.604 ( 1.485 0.188 0.651) 1.632 2.007 ( 0.088 7.791 3.112) 8.390 2.208 ( -2.632 -0.805 0.384) 2.779 2.655 ( -9.626 3.577 10.595) 14.755 2.858 ( 2.109 -2.563 5.661) 6.563 2.933 ( 4.227 -0.587 -13.677) 14.328 3.396 ( -5.212 -6.744 -6.576) 10.765 4.199 ( -5.377 -4.545 -0.311) 7.047 4.861 ( 5.438 5.454 -0.966) 7.762 5.600 ( -5.302 -11.821 -6.517) 14.502 5.704 ( -4.389 -0.124 -0.371) 4.407 5.891 ( -2.478 -0.266 1.625) 2.975 6.473 ( -4.326 2.260 -6.088) 7.803 6.640 ( -0.465 -6.055 3.798) 7.163 7.407 ( 2.681 0.304 14.144) 14.399 7.791 ( -8.795 -5.964 -5.789) 12.101 8.266 ( -6.862 7.266 -15.104) 18.111 8.575 ( 6.398 -1.406 -4.106) 7.731 8.810 ( 1.393 5.367 20.969) 21.689 9.030 ( 2.672 -4.651 -13.919) 14.917 10.132 ( 7.954 2.857 8.002) 11.638 11.007 ( -8.644 -0.931 -2.067) 8.937 11.343 ( 1.876 20.308 -0.672) 20.405 11.821 ( 2.750 -24.900 5.018) 25.549 12.489 ( 13.400 2.498 -3.618) 14.103 13.099 ( 0.229 -3.565 1.580) 3.906 15.020 ( -9.598 7.437 0.220) 12.144 15.425 ( 0.031 -2.456 -3.912) 4.619 15.982 ( -0.274 -5.718 -2.217) 6.139 16.280 ( -1.838 -0.835 -0.620) 2.112 ======================= 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| 1.618 ( 0.000 0.000 0.000) 0.000 2.084 ( -0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.662 ( -0.000 0.000 -0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.239 ( -0.000 -0.000 -0.000) 0.000 4.126 ( 0.000 -0.000 0.000) 0.000 4.941 ( 0.000 0.000 0.000) 0.000 5.470 ( 0.000 0.000 -0.000) 0.000 5.642 ( -0.000 0.000 0.000) 0.000 5.900 ( -0.000 0.000 0.000) 0.000 6.418 ( -0.000 0.000 0.000) 0.000 6.618 ( 0.000 0.000 0.000) 0.000 7.500 ( -0.000 0.000 0.000) 0.000 7.610 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 8.669 ( 0.000 0.000 -0.000) 0.000 8.865 ( -0.000 0.000 0.000) 0.000 8.993 ( 0.000 0.000 -0.000) 0.000 10.291 ( 0.000 0.000 0.000) 0.000 10.886 ( 0.000 0.000 0.000) 0.000 11.533 ( 0.000 0.000 0.000) 0.000 11.671 ( 0.000 -0.000 0.000) 0.000 12.614 ( -0.000 0.000 0.000) 0.000 13.082 ( 0.000 0.000 0.000) 0.000 14.967 ( -0.000 0.000 0.000) 0.000 15.393 ( 0.000 0.000 -0.000) 0.000 15.948 ( 0.000 -0.000 0.000) 0.000 16.260 ( 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| 0.502 ( 0.000 -0.000 24.341) 24.341 0.502 ( 0.000 -0.000 24.341) 24.341 0.705 ( 0.000 -0.000 33.004) 33.004 3.133 ( -0.000 0.000 -2.077) 2.077 3.508 ( 0.000 0.000 -4.761) 4.761 3.508 ( -0.000 0.000 -4.761) 4.761 3.740 ( 0.000 0.000 3.457) 3.457 3.740 ( 0.000 -0.000 3.457) 3.457 5.366 ( -0.000 0.000 -8.711) 8.711 6.050 ( -0.000 0.000 -17.119) 17.119 6.550 ( 0.000 -0.000 2.327) 2.327 6.550 ( 0.000 -0.000 2.327) 2.327 6.821 ( 0.000 -0.000 13.617) 13.617 7.300 ( -0.000 0.000 -19.314) 19.314 7.300 ( -0.000 0.000 -19.314) 19.314 8.060 ( 0.000 -0.000 12.043) 12.043 8.060 ( 0.000 -0.000 12.043) 12.043 9.233 ( -0.000 0.000 -4.844) 4.844 9.233 ( -0.000 0.000 -4.844) 4.844 9.365 ( -0.000 0.000 -12.639) 12.639 10.031 ( 0.000 -0.000 7.381) 7.381 10.031 ( 0.000 -0.000 7.381) 7.381 12.411 ( 0.000 -0.000 11.771) 11.771 12.444 ( -0.000 0.000 -3.560) 3.560 12.444 ( -0.000 0.000 -3.560) 3.560 13.066 ( 0.000 0.000 2.873) 2.873 13.066 ( 0.000 -0.000 2.873) 2.873 14.492 ( 0.000 -0.000 2.958) 2.958 16.237 ( 0.000 -0.000 1.743) 1.743 17.466 ( -0.000 0.000 -3.543) 3.543 ======================= 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| 0.736 ( 5.046 9.912 18.702) 21.759 0.828 ( 10.022 1.197 20.823) 23.140 1.266 ( 27.639 15.251 18.965) 36.826 3.106 ( -0.915 0.051 -2.691) 2.843 3.289 ( -8.654 -5.746 -6.776) 12.402 3.495 ( -10.919 -5.662 5.657) 13.539 3.676 ( 1.075 12.222 -8.399) 14.869 4.152 ( 20.180 3.863 -4.133) 20.957 5.291 ( 0.536 0.143 -11.289) 11.303 5.886 ( -2.758 -1.513 -15.223) 15.544 6.472 ( -5.123 0.399 0.191) 5.142 6.615 ( -1.460 -2.854 9.119) 9.666 6.884 ( -1.451 0.430 8.336) 8.472 7.222 ( -7.496 14.862 -24.648) 29.743 7.460 ( 30.884 -5.182 -25.368) 40.301 7.761 ( -12.341 -24.299 5.894) 27.883 8.166 ( -10.256 2.159 12.770) 16.520 8.717 ( -29.474 -11.737 -2.828) 31.850 9.133 ( -16.837 7.915 -3.286) 18.892 9.448 ( 7.526 9.910 1.481) 12.531 10.034 ( 15.901 -18.663 1.746) 24.581 10.469 ( 15.019 17.259 3.196) 23.101 11.635 ( -20.051 -40.408 12.808) 46.892 12.275 ( -18.257 18.434 -2.985) 26.116 12.681 ( -8.466 2.541 15.118) 17.512 13.158 ( 16.367 -8.021 4.845) 18.859 13.271 ( 9.003 14.619 4.268) 17.691 15.142 ( 30.985 16.797 -26.569) 44.138 16.264 ( 1.334 0.978 1.739) 2.400 17.315 ( -8.092 -4.399 0.776) 9.243 ======================= 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| 1.061 ( 9.129 8.400 12.970) 17.948 1.141 ( 10.674 3.407 13.956) 17.897 1.906 ( 17.929 11.362 5.761) 21.994 2.979 ( -12.161 -1.058 -5.323) 13.317 3.175 ( 6.521 -0.862 0.865) 6.634 3.299 ( -9.976 -5.024 5.336) 12.379 3.686 ( -4.779 6.792 -8.405) 11.816 4.395 ( 10.320 1.508 -4.089) 11.202 5.266 ( 4.370 2.910 -10.669) 11.891 5.756 ( 0.290 -3.500 -11.183) 11.721 6.382 ( -7.785 1.723 0.263) 7.977 6.570 ( -6.684 -5.977 12.578) 15.447 6.847 ( -7.106 -9.199 -4.114) 12.330 6.963 ( -11.580 4.513 -15.057) 19.524 7.391 ( -3.809 -16.044 -5.198) 17.290 7.704 ( 25.307 -14.081 -20.659) 35.574 8.032 ( -14.430 -0.075 8.620) 16.808 8.189 ( -30.375 8.107 7.736) 32.376 8.932 ( -13.401 5.488 1.771) 14.589 9.717 ( 7.543 15.654 1.886) 17.479 10.181 ( 20.844 -16.711 -0.077) 26.716 10.787 ( 7.864 2.770 4.978) 9.710 11.173 ( -7.010 -25.853 7.161) 27.727 12.168 ( -14.216 21.039 -5.056) 25.890 12.604 ( -10.123 0.178 8.136) 12.988 13.312 ( 8.435 -8.046 4.971) 12.673 13.728 ( 19.703 13.841 8.852) 25.654 15.375 ( 8.793 3.104 -21.645) 23.568 16.322 ( 2.482 2.491 0.456) 3.546 17.157 ( -6.842 -2.732 -1.659) 7.552 ======================= 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| 1.354 ( 8.349 6.522 7.451) 12.953 1.425 ( 10.468 2.690 7.745) 13.297 2.103 ( -0.607 2.634 -1.493) 3.088 2.739 ( -10.705 -1.624 -4.210) 11.617 3.052 ( -9.898 -12.393 4.142) 16.392 3.477 ( 12.204 5.310 0.886) 13.339 3.573 ( -4.714 9.798 -4.686) 11.840 4.496 ( 4.587 1.323 -6.184) 7.813 5.369 ( 6.635 7.723 -3.559) 10.786 5.627 ( 0.617 -12.493 -6.870) 14.270 6.219 ( -13.314 -0.240 1.570) 13.408 6.419 ( -2.192 -10.842 -11.115) 15.681 6.563 ( -5.648 -8.232 7.456) 12.460 6.814 ( -7.128 -2.401 -1.385) 7.648 7.235 ( 0.029 -0.673 -15.542) 15.556 7.636 ( -13.113 6.475 -10.981) 18.288 7.844 ( -7.263 -8.094 10.287) 14.969 8.065 ( 0.721 -0.527 6.888) 6.946 8.834 ( -8.296 7.479 4.926) 12.207 9.986 ( 4.281 16.693 -1.002) 17.263 10.398 ( 21.681 -14.786 2.023) 26.321 10.853 ( 3.371 -19.880 9.965) 22.492 10.996 ( -3.037 4.316 -0.653) 5.318 12.122 ( -8.596 14.712 -4.356) 17.588 12.458 ( -11.189 -0.668 2.132) 11.410 13.367 ( 3.304 -5.936 2.321) 7.179 14.256 ( 21.005 10.003 10.276) 25.434 15.301 ( -0.432 -3.402 -15.446) 15.822 16.387 ( 1.884 3.354 -1.559) 4.151 16.999 ( -6.481 -1.740 -5.422) 8.627 ======================= 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| 1.535 ( 5.418 1.842 0.244) 5.728 1.648 ( 6.641 1.360 7.336) 9.989 2.062 ( -5.560 3.904 1.313) 6.919 2.536 ( -6.515 -2.761 -5.110) 8.728 2.790 ( -9.025 -10.707 2.629) 14.248 3.402 ( -3.608 -1.257 -2.162) 4.390 3.892 ( 12.322 13.604 -3.436) 18.674 4.497 ( -1.069 1.845 -6.657) 6.990 5.343 ( -2.328 -10.253 -3.457) 11.068 5.722 ( 16.256 3.836 1.852) 16.805 5.986 ( -12.142 -1.086 -0.580) 12.204 6.296 ( 4.531 -8.688 -10.819) 14.597 6.389 ( -11.652 -5.879 0.723) 13.071 6.716 ( 0.384 -3.006 0.689) 3.108 7.042 ( -10.029 5.692 -23.038) 25.763 7.538 ( -5.529 10.371 4.446) 12.566 7.773 ( 1.839 -6.421 7.515) 10.054 8.132 ( 2.322 -7.574 12.794) 15.047 8.868 ( -4.126 12.037 7.841) 14.947 10.143 ( -0.331 10.881 -2.636) 11.201 10.563 ( 9.799 -15.065 3.016) 18.223 10.797 ( 2.893 -3.396 -1.195) 4.619 11.038 ( 1.312 1.765 2.267) 3.159 12.085 ( -3.773 -0.870 0.616) 3.921 12.282 ( -8.091 4.083 -3.370) 9.669 13.347 ( -0.791 -2.882 -0.772) 3.087 14.736 ( 17.190 6.773 8.773) 20.453 15.137 ( -2.852 -5.265 -7.787) 9.823 16.412 ( -0.351 3.038 -5.434) 6.236 16.859 ( -2.962 -0.327 -6.394) 7.054 ======================= 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| 1.608 ( 1.338 0.060 0.148) 1.347 1.708 ( -5.948 -0.421 4.686) 7.584 2.012 ( -1.070 -3.344 0.881) 3.620 2.470 ( 2.454 -0.109 -3.387) 4.184 2.640 ( -1.364 2.563 0.909) 3.042 3.396 ( 3.557 0.836 1.251) 3.862 4.099 ( 3.980 2.832 -4.220) 6.455 4.413 ( -4.628 2.987 -7.469) 9.280 5.256 ( 5.458 -6.223 -3.823) 9.117 5.821 ( -3.019 -1.089 -3.822) 4.991 5.941 ( -7.358 -0.683 -4.328) 8.564 6.159 ( 6.572 4.374 -0.465) 7.908 6.309 ( 6.736 -8.834 -2.676) 11.427 6.717 ( -1.186 -0.647 1.896) 2.328 6.827 ( -2.659 8.954 -21.691) 23.616 7.553 ( -2.221 -0.188 3.535) 4.179 7.947 ( 11.086 3.942 9.778) 15.299 8.154 ( -1.883 -9.113 17.266) 19.614 9.025 ( -1.124 13.560 13.627) 19.257 10.146 ( -4.361 4.564 -5.424) 8.322 10.532 ( -0.279 -2.476 -3.282) 4.120 10.740 ( -4.189 -8.204 -5.982) 10.983 11.070 ( -2.477 1.292 3.068) 4.149 11.978 ( -0.435 -6.003 -3.382) 6.904 12.312 ( 5.791 3.378 2.718) 7.234 13.287 ( -2.808 0.496 -3.761) 4.720 14.824 ( -8.302 -6.898 -3.757) 11.429 15.245 ( 13.810 5.136 10.580) 18.139 16.362 ( -1.390 2.031 -9.497) 9.810 16.831 ( 2.798 1.850 -5.196) 6.185 ======================= 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| 1.436 ( -16.141 -7.300 -0.186) 17.716 1.568 ( -10.602 -3.523 -0.634) 11.190 2.089 ( 9.313 0.305 2.362) 9.613 2.470 ( 7.461 -1.653 -6.496) 10.030 2.856 ( 6.751 15.777 4.929) 17.855 3.520 ( 5.956 1.108 1.763) 6.310 3.949 ( -11.220 -12.076 1.947) 16.599 4.367 ( 0.317 5.806 -12.518) 13.802 5.377 ( 13.659 3.119 -3.138) 14.357 5.722 ( -1.610 -2.098 -8.035) 8.460 5.838 ( -1.938 7.525 -0.483) 7.786 6.274 ( 5.695 5.093 -7.226) 10.516 6.432 ( 12.232 -7.878 3.915) 15.067 6.719 ( -2.432 6.658 4.566) 8.432 6.830 ( 8.919 4.556 -18.571) 21.099 7.548 ( 2.664 -5.326 3.410) 6.862 8.102 ( -7.329 4.957 7.714) 11.739 8.291 ( 14.138 -5.217 16.783) 22.555 9.237 ( -2.651 8.747 20.937) 22.845 10.067 ( -0.426 5.720 -14.957) 16.019 10.428 ( -17.054 -3.067 -8.937) 19.497 10.482 ( 0.107 -5.017 -3.443) 6.086 11.014 ( -7.375 0.178 5.536) 9.223 11.951 ( 5.584 -3.123 -6.941) 9.440 12.498 ( 9.764 -1.896 7.007) 12.167 13.218 ( -3.516 2.988 -5.793) 7.406 14.505 ( -16.171 -11.132 -0.976) 19.656 15.604 ( 12.609 5.977 11.629) 18.164 16.315 ( 0.997 2.086 -7.863) 8.196 16.874 ( 3.836 2.160 -7.365) 8.581 ======================= 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| 1.054 ( -18.633 -7.912 -1.502) 20.299 1.253 ( -16.412 -10.057 -1.105) 19.280 2.191 ( -3.710 -3.293 2.488) 5.550 2.651 ( 16.133 3.932 -4.161) 17.118 3.115 ( 3.274 13.762 3.886) 14.670 3.382 ( -14.232 -7.714 -1.438) 16.252 3.893 ( 8.672 -4.131 7.074) 11.930 4.315 ( -0.979 3.570 -12.433) 12.973 5.649 ( 6.860 8.212 -15.117) 18.521 5.675 ( 5.985 -1.580 4.682) 7.761 5.958 ( 8.979 7.513 2.534) 11.978 6.510 ( 10.890 11.665 -2.773) 16.197 6.550 ( 10.793 0.950 2.182) 11.052 6.770 ( -0.455 2.107 -1.031) 2.389 6.940 ( 12.771 3.760 -14.337) 19.565 7.614 ( 12.605 -9.312 3.183) 15.991 8.101 ( -8.131 10.831 11.091) 17.505 8.555 ( 11.563 -4.508 9.242) 15.474 9.286 ( -11.900 -0.929 13.632) 18.119 10.014 ( -10.706 -1.281 -16.994) 20.126 10.142 ( 5.541 -0.534 -0.520) 5.591 10.429 ( -2.388 6.661 -4.979) 8.653 10.929 ( -7.287 -0.593 5.439) 9.112 11.980 ( 5.224 -1.109 -5.369) 7.573 12.649 ( 4.987 -4.395 7.986) 10.391 13.148 ( -3.343 2.660 -6.330) 7.637 14.081 ( -19.663 -13.124 1.347) 23.679 15.924 ( 10.010 5.066 8.911) 14.327 16.335 ( 2.531 2.181 -0.686) 3.411 16.869 ( 1.185 0.980 -12.320) 12.416 ======================= 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| 0.673 ( -18.428 -5.528 2.908) 19.458 0.872 ( -16.304 -12.243 5.279) 21.061 1.811 ( -30.090 -17.175 3.120) 34.787 2.958 ( 15.497 6.171 -3.490) 17.042 3.188 ( -1.893 -0.321 -0.771) 2.069 3.330 ( 4.857 10.555 4.587) 12.492 3.967 ( -1.147 -2.097 0.115) 2.392 4.278 ( 2.039 0.221 -8.159) 8.412 5.556 ( -4.556 -2.316 -4.603) 6.878 5.907 ( 13.947 8.840 -14.654) 22.077 6.262 ( 11.768 2.177 11.689) 16.729 6.592 ( -1.093 0.580 8.120) 8.214 6.714 ( -3.093 -0.075 -5.743) 6.523 6.984 ( 16.433 21.918 -7.761) 28.473 7.136 ( 17.798 0.877 -11.255) 21.076 7.885 ( 24.053 -8.570 5.162) 26.051 8.230 ( 0.086 19.377 13.206) 23.450 8.673 ( 0.101 -6.786 0.906) 6.847 9.076 ( -7.343 -0.309 -9.041) 11.651 9.704 ( -16.998 0.812 -0.758) 17.034 10.175 ( 3.957 -15.284 -0.045) 15.788 10.623 ( 18.595 10.248 -2.555) 21.385 10.784 ( -14.796 0.065 3.599) 15.228 12.058 ( 4.357 4.119 3.385) 6.885 12.682 ( -3.188 -2.797 8.079) 9.125 13.071 ( -1.628 -1.240 -5.760) 6.113 13.642 ( -19.473 -11.832 3.572) 23.064 16.104 ( 4.057 1.891 -4.794) 6.559 16.398 ( -1.355 -0.581 -1.977) 2.466 16.819 ( 3.612 2.687 -3.101) 5.466 ======================= 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| 0.868 ( 4.443 5.535 22.564) 23.654 0.999 ( -2.593 10.812 20.062) 22.937 1.374 ( -0.629 25.619 17.299) 30.919 3.084 ( 0.701 -1.152 -3.282) 3.548 3.187 ( -0.222 -13.868 -5.556) 14.941 3.561 ( 1.449 -2.256 0.551) 2.737 3.729 ( 11.333 4.122 -5.651) 13.317 4.021 ( -9.835 10.355 -0.732) 14.300 5.218 ( -0.194 1.103 -11.906) 11.958 5.764 ( 0.155 -6.457 -13.226) 14.719 6.467 ( 2.561 -4.355 1.221) 5.197 6.708 ( -1.655 2.286 3.648) 4.612 6.884 ( 5.974 -7.408 -1.013) 9.571 6.948 ( 2.352 -5.509 -3.988) 7.196 7.402 ( -10.345 19.246 -21.980) 30.993 7.724 ( -11.298 -26.274 -0.805) 28.612 8.259 ( 1.000 -0.160 -3.942) 4.070 8.994 ( 9.616 -10.034 4.985) 14.764 9.028 ( 12.361 -5.985 2.621) 13.981 9.398 ( 4.240 6.748 -1.119) 8.048 10.086 ( -24.608 5.079 1.523) 25.173 10.444 ( 9.805 17.469 2.841) 20.233 11.442 ( -14.404 -52.466 1.848) 54.438 12.508 ( 14.511 1.448 4.047) 15.134 12.815 ( 12.091 -0.510 12.378) 17.310 13.023 ( -14.229 -0.458 4.164) 14.833 13.389 ( 0.839 21.125 6.644) 22.161 15.031 ( -1.010 35.176 -19.143) 40.060 16.270 ( 0.192 0.205 1.999) 2.019 17.269 ( 0.314 -13.137 -1.645) 13.243 ======================= 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| 1.153 ( 5.773 5.006 18.518) 20.032 1.205 ( -0.686 12.430 15.386) 19.791 1.830 ( 12.748 19.448 6.360) 24.108 2.998 ( -2.551 -11.893 -6.395) 13.743 3.084 ( 2.293 1.059 -2.071) 3.266 3.486 ( -7.722 -4.364 5.260) 10.312 3.774 ( -3.513 7.334 -8.335) 11.645 4.127 ( 13.355 -2.134 -3.653) 14.009 5.175 ( 2.382 4.054 -9.999) 11.049 5.617 ( -0.055 -6.971 -10.312) 12.447 6.457 ( -1.104 -4.900 2.306) 5.527 6.693 ( -2.431 -4.844 3.994) 6.732 6.814 ( -9.391 -19.143 -5.227) 21.954 7.012 ( 13.375 -6.012 -8.776) 17.090 7.126 ( -2.942 -6.571 -3.537) 8.021 7.377 ( -9.152 8.042 -16.806) 20.757 8.113 ( -6.759 -8.035 -1.933) 10.677 8.905 ( -21.872 5.843 13.902) 26.567 9.200 ( 1.415 3.551 2.102) 4.363 9.688 ( 15.331 13.921 -8.041) 22.214 9.819 ( -5.167 -8.744 12.365) 16.001 10.702 ( 3.399 -9.767 6.649) 12.294 10.898 ( 4.251 -21.105 -7.107) 22.671 12.534 ( -9.886 6.182 0.032) 11.660 12.845 ( -10.783 -1.086 6.648) 12.714 13.065 ( 11.776 -8.690 6.017) 15.824 13.739 ( 8.491 21.700 10.439) 25.534 15.220 ( 3.994 18.271 -20.389) 27.667 16.304 ( 2.174 0.849 0.801) 2.468 17.121 ( -0.545 -12.800 -2.638) 13.081 ======================= 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| 1.398 ( 2.662 8.100 9.365) 12.664 1.419 ( 4.104 7.862 13.110) 15.828 2.113 ( 3.692 7.911 -1.923) 8.939 2.787 ( -5.437 -7.640 -7.947) 12.291 3.100 ( -2.602 -7.963 3.122) 8.940 3.430 ( 0.702 4.688 2.363) 5.296 3.704 ( -4.878 6.219 -3.755) 8.751 4.266 ( 13.001 -6.389 -8.379) 16.735 5.276 ( 8.848 6.561 -3.583) 11.583 5.469 ( -2.177 -10.041 -6.051) 11.924 6.234 ( -9.551 -21.945 -9.245) 25.656 6.378 ( -6.327 -8.157 -2.769) 10.688 6.673 ( -1.934 -3.820 6.495) 7.780 6.948 ( -8.511 0.339 -2.329) 8.831 7.171 ( 0.847 5.448 -22.258) 22.931 7.373 ( 12.439 1.433 2.673) 12.804 7.917 ( -5.839 -6.302 -1.168) 8.671 8.616 ( -28.859 6.698 13.829) 32.695 9.174 ( -14.071 13.889 6.127) 20.699 9.888 ( 20.891 -13.121 0.296) 24.671 10.020 ( 8.831 3.553 7.153) 11.907 10.562 ( 8.810 -23.079 4.409) 25.094 10.976 ( 5.414 5.614 -6.182) 9.953 12.372 ( -11.622 2.919 -5.739) 13.286 12.683 ( -13.517 -0.035 3.862) 14.058 13.174 ( 9.789 -11.108 4.185) 15.386 14.189 ( 12.717 17.687 11.570) 24.666 15.221 ( -1.698 6.497 -17.127) 18.396 16.361 ( 2.993 1.748 -1.561) 3.801 16.965 ( -1.405 -10.810 -5.536) 12.226 ======================= 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| 1.527 ( 0.619 5.906 2.718) 6.530 1.639 ( 4.493 4.573 9.907) 11.800 2.177 ( -1.812 5.144 0.579) 5.485 2.572 ( -6.053 -4.237 -6.585) 9.897 2.900 ( -10.947 -8.984 3.981) 14.710 3.411 ( -2.752 -2.594 -4.583) 5.942 3.838 ( 7.872 13.470 -2.156) 15.750 4.340 ( 11.155 -6.597 -10.749) 16.837 5.203 ( -5.402 -17.167 -1.304) 18.044 5.568 ( 12.903 6.741 3.469) 14.965 5.953 ( 0.462 -9.587 -8.066) 12.537 6.162 ( -5.503 -4.433 -11.256) 13.290 6.668 ( 0.754 -4.329 6.410) 7.772 6.728 ( -16.768 3.918 -5.106) 17.961 7.050 ( -3.983 5.124 -17.864) 19.006 7.597 ( 5.270 -0.828 7.320) 9.057 7.833 ( -0.665 5.631 -0.458) 5.689 8.332 ( -19.465 0.311 16.609) 25.590 9.169 ( -7.982 13.573 9.272) 18.273 10.112 ( 10.607 0.398 -11.147) 15.392 10.159 ( 16.641 -24.952 16.096) 34.038 10.655 ( 9.172 1.228 0.633) 9.275 11.052 ( 2.094 4.677 -2.394) 5.656 12.137 ( -8.733 -6.767 -6.794) 12.970 12.449 ( -12.816 -2.514 -0.403) 13.067 13.236 ( 6.175 -8.306 1.333) 10.435 14.644 ( 13.608 13.904 10.124) 21.931 15.116 ( -3.402 3.130 -10.684) 11.641 16.397 ( 1.140 1.574 -4.897) 5.268 16.800 ( -0.924 -8.425 -7.541) 11.345 ======================= 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| 1.604 ( 1.668 4.541 1.127) 4.967 1.780 ( 2.390 2.476 6.364) 7.235 2.071 ( -11.097 -8.380 2.039) 14.055 2.479 ( -3.616 2.734 -4.340) 6.276 2.729 ( -3.573 4.245 2.842) 6.235 3.357 ( 1.543 0.263 -1.428) 2.118 4.050 ( 5.644 9.478 -5.527) 12.339 4.344 ( 5.506 -7.322 -12.435) 15.445 5.005 ( 2.322 -14.911 1.824) 15.200 5.712 ( 2.514 -10.571 -2.024) 11.053 5.973 ( 6.536 6.762 -5.403) 10.846 6.041 ( 4.629 2.118 -10.128) 11.336 6.422 ( -18.683 6.814 -7.985) 21.430 6.696 ( 0.969 -1.470 3.603) 4.010 6.927 ( -5.478 8.269 -9.851) 13.980 7.613 ( -3.891 -2.756 6.857) 8.352 7.991 ( 2.781 14.276 5.039) 15.392 8.217 ( -4.108 -8.161 17.576) 19.809 9.287 ( -1.650 13.316 9.615) 16.507 10.081 ( 1.928 -9.796 -7.483) 12.477 10.306 ( 12.407 -17.186 3.783) 21.532 10.764 ( -1.088 5.525 -4.520) 7.221 11.141 ( 1.883 7.060 2.885) 7.856 11.889 ( -3.320 -12.291 -5.200) 13.753 12.272 ( -1.893 -4.784 0.116) 5.146 13.233 ( 2.381 -6.335 -1.878) 7.024 14.887 ( -3.900 4.047 -4.777) 7.376 15.182 ( 10.201 9.695 9.096) 16.757 16.344 ( -2.107 0.387 -9.490) 9.729 16.714 ( 4.211 -4.451 -6.458) 8.902 ======================= 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| 1.643 ( -5.151 1.172 0.112) 5.284 1.712 ( -16.479 -6.931 2.736) 18.086 1.951 ( 8.467 -0.389 3.561) 9.194 2.380 ( -1.544 2.631 -5.548) 6.332 2.912 ( 6.819 11.953 4.736) 14.553 3.451 ( 6.021 5.023 1.988) 8.089 4.051 ( -9.492 -3.964 -1.032) 10.338 4.243 ( 4.690 -4.690 -15.218) 16.600 5.063 ( 15.797 -6.723 0.089) 17.168 5.654 ( 2.289 0.076 -6.115) 6.529 5.940 ( -3.353 -0.263 -4.392) 5.532 6.204 ( 0.112 6.144 -10.388) 12.069 6.240 ( 5.578 6.196 -4.401) 9.427 6.703 ( 1.491 1.633 -4.488) 5.003 6.932 ( -5.157 12.742 3.592) 14.207 7.550 ( -4.608 -3.803 5.959) 8.438 8.195 ( 4.574 -6.514 17.522) 19.245 8.267 ( 1.588 10.023 5.827) 11.702 9.484 ( 3.383 10.950 8.938) 14.534 9.884 ( -2.942 -10.766 -19.841) 22.765 10.265 ( 2.368 -21.330 4.158) 21.860 10.671 ( -9.652 7.577 -9.535) 15.540 11.240 ( -4.427 6.364 8.830) 11.750 11.780 ( 4.996 -5.509 -3.391) 8.174 12.316 ( 10.400 -6.498 5.171) 13.308 13.181 ( 1.164 -5.080 -5.127) 7.311 14.701 ( -14.904 -0.719 -3.003) 15.221 15.549 ( 11.827 9.767 9.324) 17.950 16.269 ( 0.671 2.304 -8.600) 8.928 16.732 ( 6.091 -2.477 -7.103) 9.679 ======================= 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| 1.351 ( -20.167 -2.830 3.151) 20.607 1.431 ( -15.171 -7.368 -0.760) 16.883 2.172 ( 8.844 3.346 3.107) 9.953 2.466 ( 8.459 5.817 -1.347) 10.354 3.132 ( 6.807 3.319 1.510) 7.722 3.600 ( -9.789 7.543 -1.579) 12.458 3.801 ( -0.171 -7.264 9.092) 11.639 4.194 ( 4.468 -2.310 -14.606) 15.447 5.329 ( 19.655 2.322 -9.076) 21.773 5.714 ( 0.665 4.071 1.582) 4.418 5.857 ( 2.405 -4.407 -0.392) 5.035 6.292 ( 13.034 12.194 -15.125) 23.395 6.418 ( 9.830 4.352 -1.248) 10.823 6.759 ( 4.963 3.059 -1.290) 5.971 6.965 ( -7.529 9.070 3.531) 12.305 7.488 ( -1.883 -3.483 4.715) 6.157 8.308 ( 3.494 -5.586 18.953) 20.065 8.469 ( 3.872 11.102 3.519) 12.273 9.512 ( -9.361 -9.980 -25.220) 28.693 9.735 ( 11.973 6.286 0.909) 13.553 10.070 ( -3.125 -24.447 7.755) 25.837 10.507 ( -9.347 6.996 -12.346) 16.992 11.230 ( -8.786 5.155 6.517) 12.093 11.880 ( 6.280 2.915 5.641) 8.931 12.496 ( 11.215 -6.503 7.721) 15.089 13.116 ( 1.364 -2.917 -7.955) 8.582 14.360 ( -21.365 -3.325 0.175) 21.623 15.851 ( 9.627 5.378 2.291) 11.263 16.316 ( 3.961 5.241 -0.716) 6.608 16.743 ( 3.806 -1.295 -9.195) 10.035 ======================= 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| 1.033 ( -19.876 1.020 5.342) 20.607 1.100 ( -16.694 -6.470 7.727) 19.500 2.155 ( -15.987 -3.101 1.945) 16.401 2.744 ( 15.560 7.757 -0.069) 17.386 3.221 ( 2.381 -4.643 -1.401) 5.403 3.347 ( -7.482 -1.179 2.553) 7.994 3.994 ( 4.079 7.567 7.450) 11.376 4.149 ( 3.528 -1.494 -13.611) 14.140 5.566 ( 2.068 4.542 -14.288) 15.135 5.656 ( 8.398 0.759 -5.527) 10.082 6.073 ( 15.784 -1.321 9.788) 18.619 6.578 ( 13.206 3.424 -4.135) 14.255 6.648 ( 16.470 5.675 -8.636) 19.444 6.830 ( -4.565 -0.595 8.524) 9.688 7.019 ( 7.195 17.355 -6.919) 20.021 7.526 ( 7.331 -2.098 5.212) 9.236 8.451 ( 3.989 -6.463 17.911) 19.455 8.609 ( -0.930 3.666 -4.561) 5.925 9.123 ( -5.520 3.588 -23.614) 24.514 9.784 ( -2.887 -30.920 5.488) 31.536 10.018 ( 5.072 9.358 4.536) 11.570 10.345 ( -0.063 0.249 -13.154) 13.157 11.140 ( -10.240 4.584 -0.283) 11.223 12.100 ( 4.585 7.562 16.045) 18.321 12.626 ( 5.630 -7.286 8.341) 12.424 13.071 ( 0.722 1.475 -8.458) 8.616 13.957 ( -23.405 -3.757 3.784) 24.004 15.972 ( 5.242 -2.037 -10.728) 12.113 16.399 ( -1.032 -0.917 -1.421) 1.981 16.785 ( 5.737 8.322 0.027) 10.108 ======================= 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| 1.088 ( -3.767 9.820 16.709) 19.743 1.240 ( -2.170 7.342 16.916) 18.568 1.829 ( -11.674 18.138 7.695) 22.902 2.941 ( 4.324 -12.884 -3.144) 13.949 3.093 ( -3.362 -1.470 -5.539) 6.645 3.437 ( 7.605 -8.689 4.021) 12.227 3.608 ( 3.323 4.071 -3.936) 6.565 4.260 ( -10.372 2.663 -6.000) 12.275 5.175 ( -1.798 2.883 -9.771) 10.345 5.657 ( -3.262 -3.107 -8.841) 9.923 6.359 ( 4.676 -4.747 -2.116) 6.991 6.598 ( -1.996 -15.675 -17.623) 23.669 6.824 ( 5.713 3.209 12.318) 13.952 6.891 ( 0.754 -4.254 1.524) 4.581 7.528 ( -8.765 -29.286 4.208) 30.857 7.672 ( -4.012 13.476 -23.557) 27.434 8.134 ( 14.241 10.749 -9.597) 20.259 8.400 ( 26.334 -5.147 -0.403) 26.835 8.982 ( 9.036 -8.827 20.076) 23.719 9.465 ( -9.039 -1.804 0.136) 9.218 10.442 ( -0.981 18.079 -6.000) 19.074 10.616 ( -14.225 6.577 4.431) 16.287 11.216 ( -14.114 -43.721 -1.185) 45.957 12.175 ( 26.029 9.458 3.920) 27.971 12.689 ( 7.024 -7.827 9.584) 14.229 13.296 ( -11.433 -2.120 1.883) 11.779 13.733 ( -7.762 24.839 12.590) 28.909 15.258 ( -5.167 20.119 -19.769) 28.676 16.288 ( -1.385 -0.588 0.871) 1.738 17.098 ( 1.414 -14.503 -3.143) 14.906 ======================= 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| 1.294 ( 0.862 8.867 19.243) 21.205 1.414 ( 0.978 6.550 15.494) 16.850 1.952 ( -0.264 18.784 1.408) 18.838 2.825 ( 1.844 -15.344 -2.215) 15.613 3.046 ( 1.603 3.247 -8.631) 9.360 3.467 ( 4.439 -9.395 2.463) 10.679 3.709 ( 5.905 0.186 -2.907) 6.584 4.078 ( -7.366 1.361 -5.454) 9.266 5.114 ( 0.394 0.944 -8.099) 8.164 5.539 ( -2.566 -0.901 -4.448) 5.213 6.386 ( 2.318 -6.493 -2.881) 7.472 6.400 ( 9.732 -16.017 -10.151) 21.314 6.733 ( -8.508 -21.229 -3.816) 23.186 6.933 ( -3.902 -2.888 1.583) 5.106 7.172 ( -1.418 -6.616 11.257) 13.134 7.562 ( -10.275 16.523 -19.017) 27.208 8.123 ( -4.481 -1.523 -9.743) 10.832 8.878 ( 26.449 -5.637 8.086) 28.226 9.180 ( -2.281 -4.674 12.506) 13.544 9.476 ( 14.617 2.061 -0.919) 14.790 10.240 ( -23.789 8.472 -1.205) 25.281 10.540 ( -10.218 -32.210 0.587) 33.797 10.746 ( 4.708 10.801 -3.372) 12.255 12.559 ( 8.360 -2.022 1.195) 8.684 12.814 ( 9.013 -5.772 5.458) 12.014 13.088 ( -10.828 -2.851 4.630) 12.117 13.981 ( -1.206 22.827 12.601) 26.101 15.270 ( -2.110 18.457 -19.387) 26.851 16.279 ( 0.983 -1.100 0.260) 1.498 16.937 ( 1.596 -17.647 -2.885) 17.952 ======================= 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| 1.521 ( 1.851 8.520 15.803) 18.049 1.569 ( -0.896 5.879 10.250) 11.850 2.127 ( 3.053 11.067 -2.815) 11.821 2.701 ( -0.013 -9.885 -3.419) 10.460 3.044 ( 1.612 -1.872 -5.945) 6.438 3.457 ( 1.131 -3.633 1.111) 3.964 3.736 ( 4.385 -6.046 -3.539) 8.265 3.986 ( 0.655 -0.362 -7.287) 7.325 5.146 ( 7.382 0.323 -2.300) 7.739 5.468 ( -5.136 1.241 -0.822) 5.347 6.114 ( -9.101 -24.293 -8.100) 27.177 6.316 ( 2.136 -13.823 -1.825) 14.106 6.514 ( 7.648 -8.328 -8.979) 14.438 6.873 ( -0.065 -5.456 0.437) 5.474 7.264 ( -2.691 8.763 9.260) 13.030 7.441 ( -6.622 13.666 -12.927) 19.942 7.973 ( -5.550 -0.583 -1.200) 5.708 9.009 ( -11.056 -9.043 10.060) 17.470 9.305 ( 19.725 -10.513 14.669) 26.736 9.638 ( 6.729 -5.681 -15.415) 17.753 9.942 ( -15.451 1.943 3.339) 15.927 10.361 ( 5.193 0.329 7.845) 9.414 10.906 ( 5.444 8.848 -5.955) 11.975 12.471 ( -8.180 -6.334 -7.221) 12.617 12.913 ( -10.890 -2.611 4.945) 12.242 12.947 ( 8.950 -9.122 5.201) 13.797 14.300 ( 5.170 18.559 12.158) 22.781 15.239 ( -3.611 10.665 -16.925) 20.328 16.303 ( 3.113 -0.473 -1.822) 3.638 16.784 ( 2.440 -16.536 -4.137) 17.219 ======================= 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| 1.627 ( -1.805 2.427 3.911) 4.944 1.728 ( 0.492 9.325 11.653) 14.932 2.230 ( 1.132 4.436 0.032) 4.578 2.582 ( -3.556 -0.964 -5.173) 6.351 2.956 ( -3.233 -8.888 0.914) 9.502 3.404 ( -2.883 -3.064 -3.714) 5.612 3.791 ( 11.253 -2.094 -4.383) 12.257 3.974 ( 6.127 -2.596 -10.372) 12.324 5.196 ( -4.875 -8.447 3.928) 10.514 5.446 ( 6.783 0.407 2.190) 7.139 5.845 ( -0.504 -2.801 -6.671) 7.252 6.140 ( -5.537 -5.895 -10.659) 13.380 6.526 ( 9.102 -10.453 -1.811) 13.978 6.798 ( -1.031 -6.053 -1.948) 6.442 7.221 ( -13.404 11.022 -8.710) 19.417 7.571 ( 9.202 7.665 7.928) 14.362 7.943 ( -4.480 7.971 5.299) 10.568 8.742 ( -17.940 -7.943 9.594) 21.840 9.432 ( -3.460 -5.271 -2.728) 6.870 9.652 ( 19.583 -16.063 5.690) 25.960 9.872 ( 3.960 -2.072 0.642) 4.515 10.614 ( 7.385 11.188 6.481) 14.890 11.027 ( 4.407 8.248 -5.135) 10.668 12.154 ( -11.073 -10.973 -10.062) 18.554 12.635 ( -14.770 -9.891 0.867) 17.797 13.065 ( 6.903 -5.132 4.205) 9.575 14.665 ( 9.342 15.122 9.909) 20.351 15.161 ( -3.868 7.746 -10.335) 13.482 16.332 ( 3.009 -0.786 -4.672) 5.613 16.636 ( 1.781 -13.602 -6.023) 14.982 ======================= 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| 1.637 ( -0.173 0.735 1.163) 1.386 1.853 ( -2.457 6.650 6.849) 9.858 2.184 ( -7.436 -6.419 3.318) 10.368 2.538 ( -2.218 4.566 -4.504) 6.786 2.839 ( -3.419 -0.723 3.328) 4.825 3.338 ( 0.655 1.268 -1.668) 2.195 3.933 ( 16.267 -13.460 -12.581) 24.578 4.013 ( 4.912 9.816 -7.460) 13.272 5.006 ( -9.531 -9.005 7.057) 14.891 5.538 ( 5.180 -8.650 -0.693) 10.106 5.896 ( 6.524 5.704 -3.370) 9.298 5.983 ( -1.496 7.626 -14.275) 16.253 6.566 ( 1.133 -3.642 -2.389) 4.501 6.714 ( -1.887 -4.498 2.213) 5.357 7.057 ( -8.293 10.131 -4.940) 13.993 7.778 ( -4.074 3.225 11.598) 12.708 8.063 ( 4.502 14.151 2.766) 15.105 8.435 ( -15.994 -7.496 11.115) 20.869 9.333 ( 3.854 -3.761 -12.899) 13.978 9.871 ( 20.667 -21.680 10.393) 31.705 9.931 ( 1.962 -1.842 1.080) 2.899 10.824 ( 0.979 9.291 1.575) 9.474 11.176 ( 5.031 10.833 -0.265) 11.947 11.802 ( -7.360 -13.432 -8.143) 17.346 12.304 ( -10.707 -10.375 -0.615) 14.922 13.112 ( 3.093 -6.405 1.093) 7.197 14.954 ( 1.765 11.140 -3.026) 11.678 15.207 ( 4.915 9.712 7.259) 13.083 16.290 ( -0.303 -3.544 -8.989) 9.667 16.541 ( 4.462 -7.084 -5.133) 9.821 ======================= 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| 1.654 ( 1.205 -1.200 -0.801) 1.880 1.893 ( -0.435 0.486 3.514) 3.574 1.959 ( -13.627 -5.081 5.328) 15.489 2.469 ( -5.829 5.520 -3.061) 8.591 2.905 ( 5.033 2.237 1.837) 5.806 3.460 ( 5.337 11.039 3.830) 12.846 3.910 ( 9.896 -13.730 -14.844) 22.512 4.149 ( 0.175 9.166 -5.563) 10.723 4.845 ( 0.631 -11.031 5.827) 12.491 5.575 ( 5.417 2.186 0.708) 5.884 5.938 ( -0.178 6.220 -12.723) 14.163 6.088 ( 7.529 5.763 -2.377) 9.775 6.388 ( -12.488 2.766 -8.557) 15.389 6.681 ( -0.270 -1.582 -0.277) 1.629 7.150 ( 0.605 13.537 7.613) 15.543 7.693 ( -10.131 -3.951 8.447) 13.769 8.231 ( -4.321 -4.276 7.448) 9.614 8.358 ( 4.245 11.701 8.846) 15.270 9.264 ( 8.923 -9.548 -25.379) 28.546 9.869 ( -1.271 -10.071 0.607) 10.169 10.031 ( 6.938 -11.347 9.320) 16.240 10.837 ( -7.547 7.598 -3.644) 11.312 11.340 ( 1.085 2.311 4.359) 5.052 11.643 ( 5.101 -2.789 -0.895) 5.882 12.151 ( 3.511 -6.523 1.850) 7.635 13.071 ( 0.678 -6.759 -2.163) 7.129 14.923 ( -10.449 6.638 -4.029) 13.018 15.515 ( 9.946 8.383 8.390) 15.479 16.203 ( 1.978 -0.624 -8.046) 8.309 16.558 ( 6.186 -2.678 -4.779) 8.263 ======================= 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| 1.568 ( -8.036 -4.170 0.101) 9.054 1.670 ( -16.972 -3.469 3.797) 17.735 2.038 ( 11.152 2.641 2.920) 11.827 2.469 ( -1.131 7.265 1.035) 7.425 3.003 ( 6.888 -3.907 -2.043) 8.178 3.730 ( 5.412 12.173 3.391) 13.746 3.812 ( 2.635 -9.399 -3.251) 10.289 4.081 ( -7.881 4.061 -5.334) 10.347 4.966 ( 17.800 -2.258 -3.380) 18.259 5.733 ( 3.260 3.903 8.966) 10.307 5.868 ( -4.683 4.641 -11.803) 13.519 6.166 ( 1.550 3.607 -7.268) 8.261 6.322 ( 6.100 8.437 -3.310) 10.924 6.700 ( 3.790 1.386 -0.575) 4.076 7.249 ( -10.795 8.509 6.353) 15.142 7.587 ( -3.474 -1.891 8.164) 9.071 8.213 ( 4.370 -11.475 10.579) 16.207 8.611 ( 2.218 15.572 5.401) 16.631 9.063 ( 7.243 -12.973 -37.157) 40.018 9.752 ( 0.618 -16.945 4.471) 17.536 10.028 ( -4.017 -0.381 6.732) 7.849 10.701 ( -12.527 6.380 -5.379) 15.052 11.310 ( -1.731 -6.568 1.551) 6.967 11.861 ( 10.974 7.179 7.671) 15.192 12.299 ( 12.649 -1.047 5.678) 13.905 13.000 ( 0.875 -4.284 -4.938) 6.596 14.697 ( -18.964 2.526 -1.107) 19.164 15.733 ( 7.692 0.989 -3.210) 8.394 16.280 ( 6.253 4.826 1.185) 7.988 16.616 ( 5.681 1.518 -4.845) 7.619 ======================= 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| 1.357 ( -15.219 -2.769 5.402) 16.385 1.398 ( -15.170 0.475 5.446) 16.125 2.240 ( 4.013 -0.156 0.423) 4.038 2.600 ( 10.062 6.618 1.760) 12.171 3.029 ( 6.597 -9.989 -2.221) 12.175 3.583 ( -13.160 -2.834 -0.696) 13.480 3.938 ( 0.820 -4.416 -4.655) 6.468 4.109 ( 5.791 16.909 3.585) 18.230 5.267 ( 21.061 4.267 -8.779) 23.213 5.681 ( -8.857 -0.697 -9.236) 12.815 5.915 ( 8.977 1.110 10.522) 13.875 6.297 ( 11.435 5.721 -9.061) 15.672 6.511 ( 7.488 3.878 0.972) 8.488 6.836 ( 7.553 0.803 4.354) 8.755 7.140 ( -6.801 6.172 2.496) 9.517 7.602 ( -4.837 7.211 4.609) 9.831 8.249 ( 9.216 -22.633 9.982) 26.398 8.545 ( -3.183 -10.519 -29.994) 31.944 9.105 ( 9.519 23.845 0.876) 25.690 9.543 ( -3.344 -26.166 0.095) 26.379 10.101 ( 2.658 9.875 7.427) 12.639 10.472 ( -16.160 3.849 -5.885) 17.623 11.211 ( -2.807 -5.619 -1.625) 6.488 12.166 ( 9.456 3.874 11.669) 15.511 12.533 ( 8.546 0.805 5.597) 10.247 12.981 ( 3.122 1.866 -4.795) 6.018 14.359 ( -22.812 0.920 2.343) 22.950 15.757 ( 5.217 -6.104 -13.480) 15.690 16.400 ( 0.893 0.402 2.243) 2.447 16.762 ( 8.118 9.929 -0.402) 12.831 ======================= 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| 1.336 ( -4.360 8.209 8.407) 12.533 1.472 ( -4.732 8.607 11.151) 14.860 2.080 ( -1.720 4.319 -0.152) 4.652 2.746 ( 5.396 -7.879 -1.560) 9.676 3.175 ( -8.107 -5.520 -1.658) 9.947 3.258 ( 1.104 -6.928 1.070) 7.096 3.571 ( 4.273 4.808 -1.719) 6.659 4.347 ( -6.955 -2.044 -9.614) 12.040 5.219 ( -6.775 0.008 -2.833) 7.344 5.675 ( -3.368 1.200 -3.425) 4.951 6.167 ( 6.111 -10.289 -6.502) 13.619 6.381 ( -0.577 -4.249 -18.937) 19.416 6.795 ( 3.593 -4.246 6.807) 8.790 6.873 ( 7.282 4.421 7.958) 11.658 7.269 ( -0.885 -34.032 -7.217) 34.800 7.552 ( 20.532 14.734 -3.436) 25.504 8.060 ( 1.732 15.214 -14.165) 20.860 8.103 ( 7.518 -0.488 4.133) 8.593 8.892 ( 7.924 -8.295 21.379) 24.262 9.634 ( -15.492 -6.497 -1.507) 16.867 10.596 ( -2.246 17.518 -3.822) 18.070 10.833 ( -8.873 -10.759 -0.192) 13.947 11.069 ( -4.872 -16.555 1.208) 17.300 11.971 ( 10.056 7.885 1.989) 12.932 12.533 ( 8.801 -9.592 6.728) 14.654 13.382 ( -3.016 -4.285 -0.363) 5.253 14.240 ( -13.282 22.506 12.274) 28.872 15.304 ( 1.976 10.744 -15.672) 19.104 16.310 ( -2.577 -1.816 -1.669) 3.567 16.908 ( 0.757 -13.922 -6.344) 15.318 ======================= 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| 1.478 ( 2.803 7.936 10.545) 13.492 1.567 ( -2.969 7.788 12.024) 14.630 2.115 ( -1.140 7.752 -0.499) 7.851 2.699 ( -2.816 -11.059 5.788) 12.796 2.972 ( -0.616 1.192 -12.936) 13.005 3.264 ( 6.724 -13.285 2.683) 15.130 3.659 ( 1.273 1.382 -1.625) 2.484 4.155 ( -6.015 0.547 -8.921) 10.773 5.085 ( -3.534 -5.306 -2.287) 6.773 5.614 ( -4.070 4.955 0.478) 6.430 6.084 ( 3.242 -11.192 -11.205) 16.166 6.241 ( 1.167 -7.180 -10.109) 12.454 6.641 ( -7.735 -20.668 -3.672) 22.372 6.929 ( -1.409 -9.751 2.222) 10.100 7.194 ( 7.382 3.111 15.888) 17.793 7.733 ( -6.051 12.091 -13.250) 18.930 8.087 ( 0.774 4.604 -14.687) 15.411 8.470 ( 25.822 6.210 3.921) 26.847 9.114 ( 8.304 -12.644 18.488) 23.888 9.369 ( -5.190 -7.278 -0.444) 8.950 10.350 ( -11.177 -25.987 -0.469) 28.292 10.686 ( -7.471 12.990 -5.941) 16.120 10.864 ( -9.314 7.166 1.459) 11.842 12.339 ( 16.294 2.537 1.094) 16.527 12.638 ( 9.310 -10.454 7.344) 15.808 13.232 ( -7.809 -4.309 -0.564) 8.937 14.360 ( -8.187 21.095 11.373) 25.325 15.327 ( -0.743 12.641 -16.227) 20.583 16.252 ( -0.258 -3.046 -1.044) 3.230 16.714 ( 0.591 -18.253 -4.705) 18.858 ======================= 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| 1.634 ( 1.808 0.249 6.365) 6.621 1.712 ( 0.318 10.903 13.001) 16.971 2.175 ( 0.720 6.338 -1.679) 6.596 2.603 ( -0.297 -7.980 7.074) 10.668 2.937 ( 2.633 0.588 -12.963) 13.241 3.287 ( 9.354 -11.295 1.467) 14.738 3.582 ( -2.365 -9.130 -4.901) 10.629 4.044 ( -5.078 4.723 -6.580) 9.560 5.033 ( 4.193 -3.011 1.257) 5.313 5.616 ( -6.247 5.872 1.604) 8.722 5.935 ( -0.870 -19.910 -4.374) 20.403 6.041 ( 3.445 -15.158 -5.676) 16.549 6.383 ( -2.591 -3.444 -9.608) 10.531 6.861 ( -1.678 -7.398 5.462) 9.347 7.403 ( 1.318 4.281 9.876) 10.844 7.592 ( -9.035 9.589 -15.615) 20.430 8.053 ( -1.231 4.915 -0.276) 5.075 8.934 ( 20.041 -0.935 6.396) 21.058 9.051 ( 1.750 -20.461 5.032) 21.144 9.271 ( 1.192 -15.440 -4.490) 16.124 10.186 ( 1.218 -0.927 7.903) 8.049 10.570 ( -15.438 15.119 1.047) 21.634 10.899 ( 1.930 10.387 -5.160) 11.758 12.439 ( -0.828 -8.777 -2.604) 9.193 12.736 ( 9.421 -9.704 1.744) 13.637 13.075 ( -7.770 -1.305 2.810) 8.365 14.521 ( -2.199 16.346 9.406) 18.986 15.295 ( -3.390 9.688 -13.835) 17.227 16.229 ( 2.134 -3.330 -1.716) 4.312 16.541 ( 2.795 -17.441 -3.314) 17.971 ======================= 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| 1.658 ( -0.278 -2.207 1.837) 2.884 1.912 ( 0.681 10.626 10.605) 15.028 2.227 ( 1.863 0.480 -0.308) 1.949 2.616 ( -1.179 4.088 -0.913) 4.352 2.883 ( 1.789 -6.901 0.007) 7.129 3.372 ( 1.646 -4.600 -1.597) 5.140 3.392 ( 8.956 -16.469 -7.994) 20.380 3.980 ( -2.782 6.197 -6.451) 9.368 5.158 ( 7.568 -2.911 6.351) 10.299 5.450 ( -8.691 -6.370 1.432) 10.870 5.807 ( -0.272 0.444 -2.733) 2.782 6.004 ( 7.223 -13.392 -3.377) 15.586 6.288 ( 2.498 0.772 -9.781) 10.124 6.787 ( -2.694 -6.496 4.115) 8.148 7.432 ( -8.547 5.676 -11.462) 15.383 7.524 ( 6.439 4.732 3.905) 8.894 8.163 ( -1.473 10.780 12.081) 16.259 8.887 ( -4.546 -13.945 4.149) 15.243 9.090 ( 6.307 -21.225 -4.827) 22.662 9.251 ( 16.218 -8.635 3.319) 18.670 10.139 ( -14.562 7.103 2.144) 16.343 10.668 ( 4.814 13.503 6.575) 15.772 11.021 ( 3.540 12.853 -5.787) 14.534 12.172 ( -11.426 -13.865 -6.713) 19.180 12.695 ( -4.155 -11.344 -1.968) 12.241 13.019 ( -1.020 -0.039 5.360) 5.457 14.742 ( 4.874 13.394 6.560) 15.691 15.245 ( -3.549 8.320 -6.511) 11.145 16.221 ( 3.416 -5.393 -4.040) 7.555 16.423 ( 3.318 -12.615 -3.308) 13.457 ======================= 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| 1.632 ( -0.431 -2.766 0.394) 2.827 2.047 ( -3.681 8.256 6.126) 10.919 2.221 ( -1.359 -5.068 2.134) 5.664 2.582 ( -2.595 4.365 -6.662) 8.377 2.883 ( -1.738 -2.279 6.224) 6.852 3.266 ( 7.287 -7.060 -2.879) 10.546 3.489 ( 11.767 -7.715 -5.404) 15.073 4.004 ( 2.102 9.899 -7.205) 12.423 5.142 ( -8.115 -10.330 8.015) 15.389 5.398 ( 3.743 -0.822 1.319) 4.053 5.823 ( 3.468 2.471 -3.571) 5.557 5.969 ( 2.957 3.040 -10.534) 11.356 6.394 ( 10.638 -0.515 1.563) 10.764 6.722 ( -1.916 -4.370 4.597) 6.626 7.263 ( -9.176 5.807 -7.614) 13.262 7.784 ( 12.405 4.712 5.236) 14.265 8.287 ( -7.554 12.813 7.668) 16.734 8.667 ( -11.824 -9.638 10.279) 18.395 8.989 ( 9.117 -14.114 -18.064) 24.671 9.407 ( 15.616 -19.737 9.852) 27.027 10.012 ( -6.473 3.282 1.066) 7.335 10.911 ( 3.458 11.088 3.729) 12.199 11.199 ( 5.240 15.382 -3.134) 16.550 11.780 ( -11.536 -14.326 -6.576) 19.533 12.408 ( -13.712 -9.888 -1.614) 16.983 13.045 ( 0.874 -2.805 2.767) 4.036 14.996 ( 5.717 12.843 -0.825) 14.082 15.292 ( 0.978 7.850 6.530) 10.257 16.156 ( 2.124 -8.996 -7.358) 11.815 16.381 ( 4.097 -4.579 -2.615) 6.678 ======================= 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| 1.609 ( 0.975 -2.281 -0.095) 2.482 2.008 ( -8.210 1.213 1.262) 8.395 2.108 ( -6.841 -6.308 2.632) 9.670 2.585 ( -1.249 7.463 -1.113) 7.648 2.845 ( 0.130 -4.718 0.643) 4.763 3.460 ( 13.307 4.710 4.690) 14.875 3.542 ( 7.562 -5.265 -6.936) 11.533 4.147 ( 6.658 13.728 -7.499) 17.001 4.871 ( -11.722 -15.691 5.000) 20.214 5.549 ( 6.776 10.504 4.568) 13.308 5.852 ( 2.644 -1.672 -7.752) 8.359 6.070 ( 5.528 11.713 -4.625) 13.753 6.498 ( -2.132 -0.627 0.517) 2.281 6.685 ( -2.544 -1.869 0.710) 3.236 7.244 ( 4.473 6.536 4.316) 9.020 7.890 ( -9.994 -5.957 7.617) 13.906 8.279 ( -2.657 1.699 -2.048) 3.760 8.567 ( -5.918 10.703 14.130) 18.688 8.843 ( 6.143 -11.773 -27.077) 30.158 9.538 ( 14.987 -24.197 9.200) 29.912 10.008 ( 2.517 2.440 1.022) 3.652 11.010 ( -4.374 8.146 -0.629) 9.267 11.395 ( -2.380 5.906 0.314) 6.375 11.531 ( 4.366 -2.577 -1.301) 5.234 12.120 ( -7.232 -6.036 -0.480) 9.432 13.019 ( -1.119 -3.580 0.291) 3.762 15.114 ( -4.276 11.344 -3.032) 12.496 15.484 ( 6.440 1.859 7.980) 10.422 16.088 ( 4.168 -2.022 -4.689) 6.592 16.419 ( 5.340 -0.951 -2.619) 6.023 ======================= 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| 1.617 ( -0.377 -0.233 0.256) 0.512 1.870 ( -8.406 -4.297 0.981) 9.492 1.964 ( -1.837 -2.679 2.269) 3.962 2.613 ( -5.066 6.177 2.303) 8.314 2.836 ( 4.890 -5.093 -2.662) 7.546 3.524 ( 6.353 -8.416 -8.174) 13.342 3.821 ( 10.399 13.204 9.907) 19.510 4.293 ( -6.332 12.739 -3.825) 14.731 4.667 ( 7.679 -10.000 -0.516) 12.619 5.789 ( -0.792 -1.311 -9.473) 9.596 5.863 ( 7.678 16.612 8.958) 20.375 6.250 ( 1.488 7.976 2.395) 8.460 6.329 ( -9.529 1.893 -7.042) 11.999 6.653 ( 1.563 -0.840 -0.328) 1.805 7.515 ( 9.317 4.991 12.199) 16.141 7.581 ( -13.909 -14.065 3.818) 20.146 8.174 ( -5.737 -7.697 3.488) 10.214 8.557 ( 0.817 -11.957 -33.218) 35.314 8.844 ( 4.998 18.986 9.705) 21.901 9.532 ( 5.451 -20.362 5.691) 21.834 10.117 ( 2.419 6.765 -0.640) 7.213 10.935 ( -10.006 5.519 -2.467) 11.690 11.297 ( -4.024 -5.855 2.314) 7.472 11.744 ( 11.231 5.602 2.160) 12.735 12.125 ( 10.054 0.464 0.882) 10.103 12.971 ( -1.471 0.059 -0.412) 1.529 15.021 ( -15.285 5.705 0.216) 16.317 15.568 ( 5.765 -5.994 -5.704) 10.085 16.235 ( 7.570 6.382 5.676) 11.413 16.507 ( 6.903 3.134 -3.337) 8.283 ======================= 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| 1.551 ( -7.104 0.061 2.110) 7.411 1.657 ( -12.588 -2.517 3.138) 13.215 2.089 ( 12.228 -0.759 1.338) 12.324 2.582 ( -1.878 1.083 1.195) 2.476 2.831 ( 3.544 -8.469 -1.585) 9.317 3.503 ( 5.985 -5.853 -6.775) 10.769 4.094 ( -9.821 5.466 5.543) 12.532 4.219 ( 1.740 13.121 2.393) 13.450 4.900 ( 20.325 4.027 -6.070) 21.591 5.708 ( -1.213 1.364 -7.937) 8.145 6.016 ( -11.863 2.523 4.101) 12.802 6.207 ( 4.334 6.944 0.759) 8.221 6.449 ( 6.697 5.854 0.174) 8.897 6.732 ( 6.774 -0.954 2.702) 7.356 7.292 ( -7.273 -6.937 5.108) 11.274 7.759 ( 5.400 2.260 9.936) 11.532 7.970 ( -6.213 -16.353 -4.909) 18.169 8.215 ( 1.838 -14.529 -27.777) 31.402 9.191 ( 6.290 3.278 14.848) 16.455 9.461 ( -0.577 5.615 -0.557) 5.672 10.206 ( 0.134 10.811 -0.898) 10.849 10.765 ( -14.462 4.231 -1.065) 15.106 11.187 ( -3.161 -6.638 1.170) 7.445 12.022 ( 13.974 1.904 2.568) 14.335 12.350 ( 14.072 -1.228 -1.551) 14.210 13.004 ( 0.682 8.143 2.383) 8.512 14.759 ( -20.585 2.816 2.760) 20.959 15.514 ( 4.290 -9.318 -12.314) 16.027 16.412 ( 2.241 2.239 5.377) 6.241 16.691 ( 9.858 8.891 -2.431) 13.496 ======================= 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| 1.511 ( -4.361 5.238 2.282) 7.187 1.693 ( -4.179 7.937 8.041) 12.046 2.054 ( 4.285 -1.921 1.290) 4.870 2.565 ( 6.527 -3.035 -4.623) 8.555 3.001 ( 10.884 -6.293 2.319) 12.784 3.379 ( -4.455 -5.936 0.552) 7.443 3.630 ( -11.640 8.031 -4.598) 14.871 4.340 ( -4.547 -4.123 -11.987) 13.467 5.290 ( -5.701 -12.519 1.880) 13.884 5.756 ( -3.903 9.596 1.445) 10.460 5.923 ( 5.211 -9.444 -5.715) 12.207 6.295 ( -2.922 7.254 -22.844) 24.145 6.717 ( 4.252 -6.810 0.189) 8.030 6.761 ( 18.556 7.738 1.787) 20.185 6.908 ( 5.926 -14.998 -1.252) 16.175 7.466 ( 2.964 6.884 5.000) 9.010 7.953 ( 7.297 6.257 0.280) 9.617 8.231 ( -7.061 7.343 -3.547) 10.786 8.853 ( 5.063 -8.107 23.643) 25.502 9.803 ( -15.686 -10.424 -4.193) 19.294 10.712 ( -0.993 -21.313 -2.808) 21.520 10.800 ( -3.992 16.273 -2.945) 17.013 11.079 ( 0.859 3.635 1.963) 4.219 11.994 ( -4.537 2.386 0.542) 5.155 12.293 ( 11.102 -11.375 3.237) 16.221 13.333 ( 0.785 -7.168 -1.655) 7.398 14.732 ( -11.719 18.714 8.911) 23.810 15.237 ( 5.867 7.961 -7.678) 12.520 16.301 ( -2.198 -3.887 -6.026) 7.500 16.742 ( -1.877 -10.241 -7.900) 13.070 ======================= 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| 1.544 ( 0.510 3.608 4.291) 5.629 1.769 ( -2.639 8.862 7.378) 11.829 2.141 ( 2.834 3.157 1.025) 4.365 2.642 ( 7.531 -0.605 -2.417) 7.933 3.049 ( 5.237 -11.507 1.534) 12.735 3.088 ( -19.408 -3.656 1.458) 19.803 3.619 ( 1.474 -0.282 -4.492) 4.736 4.180 ( -2.924 3.505 -11.596) 12.462 5.065 ( -4.705 -15.562 2.803) 16.497 5.734 ( -4.152 1.742 2.243) 5.031 5.916 ( 2.039 0.529 -9.383) 9.617 6.105 ( -3.483 -5.181 -16.963) 18.076 6.550 ( -5.410 -14.179 -4.132) 15.728 6.855 ( 2.838 -5.702 2.635) 6.892 7.204 ( 10.951 7.266 16.302) 20.940 7.757 ( 11.161 9.106 -3.131) 14.740 8.052 ( -5.744 11.883 -20.474) 24.360 8.240 ( 12.722 7.020 5.944) 15.699 9.039 ( 3.122 -12.985 25.062) 28.399 9.412 ( -12.160 -13.092 -3.386) 18.186 10.310 ( -11.023 -21.033 0.082) 23.746 10.857 ( -3.339 15.336 -5.574) 16.656 11.081 ( -6.357 4.202 0.624) 7.646 12.125 ( 12.829 4.652 -2.079) 13.804 12.380 ( 10.405 -16.666 5.908) 20.517 13.248 ( -1.148 -6.517 -0.792) 6.665 14.780 ( -10.846 18.260 5.889) 22.039 15.337 ( 1.488 9.637 -8.128) 12.694 16.199 ( 0.021 -6.111 -3.832) 7.213 16.531 ( -2.595 -13.270 -6.116) 14.840 ======================= 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| 1.620 ( 2.420 -0.261 2.806) 3.715 1.878 ( -0.315 8.739 7.100) 11.265 2.195 ( -0.139 2.580 -0.490) 2.630 2.725 ( -4.957 -2.014 13.881) 14.877 2.816 ( -2.613 1.797 -12.921) 13.304 3.042 ( 6.960 -11.645 3.602) 14.036 3.513 ( -3.418 -9.119 -5.817) 11.344 4.125 ( -4.108 6.705 -8.416) 11.518 4.941 ( 2.794 -8.820 4.035) 10.093 5.700 ( -0.268 -1.584 -4.436) 4.718 5.818 ( -7.209 -10.822 -6.598) 14.582 5.897 ( -0.640 -2.657 -0.042) 2.733 6.351 ( -3.942 -2.047 -7.610) 8.811 6.843 ( -0.247 -7.059 4.765) 8.520 7.472 ( 2.150 2.983 12.029) 12.578 7.734 ( -11.626 4.931 -11.888) 17.344 8.067 ( 7.077 8.115 -3.928) 11.462 8.602 ( 16.258 3.167 -9.770) 19.230 8.906 ( -4.082 -16.948 11.428) 20.844 9.225 ( -3.543 -12.533 10.998) 17.047 10.167 ( 3.787 -2.076 7.476) 8.634 10.937 ( -6.425 18.275 -2.907) 19.589 10.972 ( -6.492 4.503 -2.925) 8.425 12.306 ( 4.130 -13.364 4.255) 14.621 12.432 ( 15.638 -7.340 -5.402) 18.100 13.170 ( -3.252 -2.272 0.939) 4.077 14.796 ( -7.990 13.550 1.766) 15.829 15.359 ( -2.693 7.898 -5.865) 10.199 16.127 ( 2.045 -8.989 -1.837) 9.400 16.358 ( -0.551 -9.576 -2.915) 10.025 ======================= 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| 1.640 ( 0.379 -1.896 0.279) 1.953 2.018 ( 2.632 6.540 5.635) 9.025 2.188 ( 0.367 -2.114 -1.039) 2.384 2.678 ( -2.834 1.813 -2.229) 4.036 2.805 ( 2.633 -2.512 5.291) 6.422 3.110 ( 5.985 -7.791 0.541) 9.840 3.311 ( -2.926 -8.022 -2.816) 8.991 4.048 ( -4.306 4.763 -5.854) 8.689 5.022 ( 8.110 -4.264 5.307) 10.589 5.527 ( -5.621 -6.431 -2.439) 8.883 5.719 ( 4.821 -7.321 0.182) 8.768 5.882 ( -3.662 0.996 1.694) 4.156 6.252 ( -0.846 4.356 -10.808) 11.684 6.785 ( -1.425 -7.428 4.625) 8.865 7.448 ( -5.054 1.321 -11.571) 12.696 7.588 ( -3.487 2.528 3.341) 5.451 8.298 ( 7.000 5.566 14.616) 17.135 8.617 ( 8.234 -10.413 -10.467) 16.905 8.899 ( 1.755 -5.626 -10.626) 12.151 9.170 ( -2.074 -8.504 26.286) 27.705 10.296 ( 0.807 0.207 2.311) 2.456 10.830 ( -6.103 7.147 1.063) 9.458 11.103 ( 0.592 20.698 -4.929) 21.285 12.119 ( -4.388 -23.094 0.623) 23.516 12.578 ( 6.877 -0.362 -5.777) 8.989 13.104 ( -4.138 -0.906 2.658) 5.001 14.838 ( -0.037 10.015 -0.619) 10.034 15.352 ( -3.277 6.825 -0.018) 7.571 16.058 ( 2.764 -10.963 -2.106) 11.501 16.289 ( 1.124 -3.907 -0.868) 4.157 ======================= 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| 1.620 ( -0.724 -1.524 0.114) 1.691 2.122 ( 1.365 -2.542 0.743) 2.980 2.183 ( 2.675 -0.512 0.518) 2.772 2.611 ( -1.367 2.834 -8.712) 9.263 2.940 ( 10.250 -12.418 -2.277) 16.262 2.981 ( -4.268 0.502 7.959) 9.045 3.355 ( 4.370 1.505 5.677) 7.320 4.032 ( -0.204 8.118 -4.928) 9.499 5.093 ( 2.603 -12.184 4.936) 13.401 5.468 ( -1.932 4.797 4.459) 6.828 5.754 ( 5.466 -5.406 -0.530) 7.706 5.834 ( 1.394 3.338 -3.632) 5.127 6.309 ( 6.074 8.532 -4.163) 11.270 6.733 ( -0.845 -5.048 4.272) 6.667 7.320 ( -2.569 -0.224 -11.443) 11.730 7.676 ( 7.047 6.939 2.941) 10.318 8.544 ( -1.547 6.553 13.133) 14.759 8.606 ( 8.483 -9.854 -8.831) 15.718 8.732 ( -0.478 -9.301 -1.108) 9.379 9.233 ( -1.916 -9.666 20.019) 22.313 10.146 ( -10.219 -3.163 -6.133) 12.330 10.949 ( 5.840 7.256 3.086) 9.812 11.287 ( 1.182 21.324 -5.670) 22.097 11.778 ( -9.331 -19.563 -1.309) 21.714 12.527 ( -8.295 -1.675 -3.064) 9.000 13.061 ( -2.084 -0.475 1.925) 2.877 14.985 ( 7.234 8.385 -2.014) 11.256 15.404 ( -0.701 5.661 7.328) 9.286 15.986 ( 2.282 -7.547 -3.529) 8.638 16.291 ( 2.104 -1.230 0.137) 2.441 ======================= 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| 1.588 ( -0.901 -1.767 0.003) 1.984 2.063 ( -0.092 -8.670 -1.069) 8.736 2.163 ( -5.494 -0.625 -3.594) 6.595 2.637 ( 2.064 8.534 -1.686) 8.941 2.810 ( 0.097 -9.233 -2.521) 9.571 3.217 ( 12.553 -1.946 9.771) 16.026 3.480 ( 3.990 5.870 3.358) 7.852 4.137 ( 4.414 13.378 -5.443) 15.102 4.923 ( -8.207 -15.179 3.591) 17.625 5.597 ( 4.066 11.699 -0.262) 12.389 5.782 ( 2.111 1.006 4.442) 5.020 5.991 ( 10.349 5.369 -1.708) 11.783 6.499 ( 5.596 6.200 1.511) 8.488 6.715 ( -0.778 -2.106 2.918) 3.682 7.202 ( 0.280 -2.715 -7.649) 8.121 7.917 ( 7.039 2.191 3.635) 8.219 8.448 ( -9.396 2.082 -2.016) 9.833 8.493 ( -0.219 -5.947 -21.663) 22.465 8.837 ( -0.845 -0.204 21.658) 21.676 9.216 ( 4.007 -15.819 16.109) 22.930 9.975 ( -0.134 -0.858 -6.168) 6.229 11.093 ( 1.881 4.410 -0.907) 4.879 11.432 ( 0.753 -6.022 -2.926) 6.737 11.528 ( -3.101 11.918 -2.008) 12.478 12.277 ( -15.483 -1.894 -0.494) 15.606 13.034 ( -2.055 0.242 0.198) 2.079 15.175 ( 7.946 6.143 -3.402) 10.604 15.477 ( -1.983 -2.613 7.896) 8.550 16.001 ( 4.971 4.675 0.649) 6.854 16.331 ( 3.238 0.011 0.082) 3.239 ======================= 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| 1.588 ( 2.983 -0.183 0.080) 2.989 1.945 ( -4.130 -7.223 -1.215) 8.408 1.993 ( -7.303 -3.208 -3.130) 8.569 2.711 ( 0.563 -7.041 -1.548) 7.231 2.763 ( -1.078 8.200 2.339) 8.595 3.362 ( 3.938 -4.185 1.129) 5.856 3.754 ( 15.464 8.073 7.870) 19.137 4.358 ( 9.512 15.623 -6.391) 19.375 4.643 ( -13.163 -8.367 3.531) 15.992 5.688 ( 2.939 1.851 -7.792) 8.531 6.017 ( 5.270 17.726 12.345) 22.235 6.184 ( 8.898 1.506 -0.212) 9.027 6.552 ( -8.536 4.728 0.671) 9.781 6.640 ( -3.548 -0.566 -3.423) 4.962 7.260 ( 13.431 -10.810 3.336) 17.561 7.824 ( -14.481 -7.537 5.416) 17.200 8.197 ( -3.426 -14.811 -20.866) 25.816 8.325 ( -9.320 3.719 -5.480) 11.434 9.025 ( 3.891 6.720 19.504) 20.993 9.307 ( 8.961 -7.161 8.640) 14.361 10.061 ( 9.156 7.517 -4.666) 12.732 11.073 ( -4.420 1.803 -3.898) 6.163 11.320 ( -1.835 -8.257 2.965) 8.963 11.701 ( 4.628 13.989 -5.041) 15.573 12.061 ( -5.745 -0.813 0.221) 5.806 13.017 ( -1.466 3.764 0.270) 4.048 15.291 ( 1.778 3.503 -2.700) 4.766 15.361 ( -6.117 -9.924 0.464) 11.667 16.240 ( 7.389 10.525 8.825) 15.596 16.407 ( 5.774 2.922 -2.400) 6.902 ======================= 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| 1.654 ( -1.222 2.113 0.906) 2.604 1.790 ( -5.932 -4.620 0.805) 7.562 1.892 ( 5.242 -3.941 -1.724) 6.781 2.623 ( -2.169 -5.681 -0.427) 6.096 2.783 ( -4.282 0.570 1.018) 4.438 3.364 ( 1.673 -2.076 -1.008) 2.851 4.156 ( 16.294 5.017 7.168) 18.495 4.374 ( -10.945 -3.853 0.352) 11.609 4.679 ( 10.343 21.042 -5.797) 24.153 5.688 ( 0.364 3.509 -5.426) 6.473 6.218 ( 3.050 -3.431 2.265) 5.119 6.271 ( -11.208 3.194 -6.699) 13.442 6.462 ( -0.316 13.071 8.400) 15.541 6.645 ( 2.592 -1.957 -0.672) 3.317 7.283 ( 1.358 -13.247 6.784) 14.945 7.651 ( -0.449 -8.348 6.332) 10.487 7.854 ( 0.368 -13.645 -26.627) 29.922 8.132 ( -12.858 -0.806 3.080) 13.246 9.171 ( 0.969 -15.528 19.853) 25.223 9.580 ( 8.611 24.294 3.202) 25.973 10.259 ( 5.047 12.373 -5.754) 14.549 10.969 ( -7.441 2.103 -3.020) 8.301 11.212 ( -4.370 -7.297 2.468) 8.856 11.865 ( 7.464 6.825 -4.156) 10.934 12.101 ( 9.827 -0.298 -1.523) 9.948 13.087 ( 1.572 9.130 1.848) 9.447 15.120 ( -14.966 -2.153 2.781) 15.374 15.274 ( 2.401 -8.254 -7.057) 11.122 16.431 ( 2.621 1.494 4.749) 5.626 16.602 ( 9.114 11.233 -1.446) 14.538 ======================= 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| 1.612 ( -2.125 3.242 -0.504) 3.909 1.815 ( 6.060 0.832 6.696) 9.069 1.992 ( -1.996 -3.348 4.226) 5.749 2.464 ( 0.659 4.394 -3.670) 5.763 2.771 ( 13.261 -1.013 -0.096) 13.300 3.382 ( -2.120 1.800 1.046) 2.971 3.921 ( -16.004 4.466 -5.942) 17.646 4.255 ( -1.182 -6.883 -11.551) 13.498 5.205 ( -2.539 -15.214 0.859) 15.448 5.760 ( 2.434 -3.402 -4.251) 5.964 6.006 ( -8.432 11.370 0.457) 14.163 6.148 ( 9.649 -1.512 -17.497) 20.038 6.543 ( 5.239 1.991 -1.378) 5.771 6.620 ( 3.741 10.307 -9.224) 14.328 6.777 ( 6.218 -1.497 6.873) 9.388 7.553 ( -2.182 0.933 6.157) 6.598 7.978 ( 1.062 8.975 1.582) 9.175 8.385 ( -3.177 7.002 3.559) 8.473 8.919 ( -3.251 -6.436 24.405) 25.448 9.870 ( -10.936 -15.651 -6.372) 20.128 10.480 ( 4.231 -12.648 -7.503) 15.303 10.943 ( 4.108 10.818 -2.651) 11.871 11.089 ( 1.524 1.018 2.307) 2.947 12.003 ( 2.703 -11.396 -5.543) 12.957 12.187 ( -8.454 2.370 5.519) 10.370 13.218 ( 1.242 -8.658 -2.862) 9.203 14.975 ( 6.076 7.113 -1.559) 9.483 15.292 ( -4.822 12.823 8.978) 16.380 16.230 ( -2.097 -4.080 -10.961) 11.882 16.690 ( -6.097 -4.687 -7.190) 10.528 ======================= 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| 1.595 ( -1.541 0.820 0.859) 1.946 1.916 ( -1.129 4.046 6.245) 7.526 2.086 ( 9.064 0.425 4.655) 10.198 2.523 ( 3.583 5.740 -4.125) 7.925 2.899 ( 4.019 -6.278 1.115) 7.537 3.356 ( -7.961 -0.053 3.624) 8.747 3.632 ( -11.168 -0.724 -7.230) 13.324 4.160 ( 0.928 6.485 -12.360) 13.989 4.976 ( -3.838 -20.615 4.787) 21.508 5.742 ( 0.652 -0.234 -7.793) 7.824 5.957 ( -4.961 0.127 0.770) 5.022 6.027 ( -5.332 1.789 -14.985) 16.005 6.520 ( -3.024 -1.857 -3.421) 4.929 6.747 ( 5.969 -3.394 0.574) 6.891 7.157 ( 17.791 14.773 9.800) 25.116 7.641 ( 5.775 4.159 3.182) 7.796 8.165 ( 8.095 10.702 0.219) 13.420 8.246 ( -13.513 4.931 -8.708) 16.815 9.094 ( 2.422 -4.503 30.359) 30.786 9.452 ( -13.732 -17.764 -6.560) 23.391 10.275 ( -5.657 -14.754 -4.328) 16.384 11.026 ( -2.978 13.273 -3.655) 14.086 11.152 ( 1.173 2.240 0.243) 2.541 11.909 ( 8.451 -8.260 -7.260) 13.869 12.164 ( 1.494 -8.667 5.272) 10.254 13.156 ( 2.471 -7.617 -0.281) 8.013 15.086 ( -3.665 12.565 -2.864) 13.398 15.403 ( -1.508 8.353 6.001) 10.395 16.089 ( -0.561 -6.102 -8.017) 10.091 16.480 ( -6.281 -5.626 -5.631) 10.140 ======================= 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| 1.602 ( 1.021 -0.707 1.720) 2.121 1.987 ( 0.247 4.500 4.142) 6.121 2.226 ( 1.489 1.796 1.620) 2.840 2.642 ( 7.119 5.246 -5.530) 10.430 2.850 ( 0.443 -9.045 2.023) 9.279 3.132 ( -16.702 0.043 7.449) 18.288 3.466 ( -4.621 -4.498 -4.836) 8.060 4.198 ( -1.469 11.041 -9.903) 14.904 4.824 ( 2.546 -12.457 6.457) 14.260 5.642 ( -2.660 -5.656 -8.955) 10.920 5.805 ( -5.707 -2.593 -4.028) 7.451 5.958 ( -3.646 3.752 1.060) 5.339 6.384 ( -6.426 0.485 -6.932) 9.465 6.785 ( 2.664 -6.967 3.116) 8.084 7.567 ( 4.291 5.248 17.689) 18.943 7.869 ( 11.861 5.112 1.381) 12.989 7.965 ( -11.967 7.019 -19.367) 23.823 8.387 ( 8.032 1.477 -3.078) 8.727 8.973 ( -13.600 -11.650 -2.115) 18.032 9.282 ( -1.089 -5.707 25.231) 25.892 10.123 ( 2.166 -4.204 1.915) 5.102 11.067 ( -3.721 6.416 -4.711) 8.786 11.173 ( -3.021 11.667 0.401) 12.059 11.984 ( 13.901 -18.514 -5.655) 23.833 12.168 ( 7.742 -1.505 0.943) 7.943 13.142 ( 2.353 -5.294 0.885) 5.861 15.043 ( -9.533 9.566 -6.744) 15.095 15.463 ( -2.298 3.309 4.793) 6.261 15.998 ( 0.657 -5.417 -2.573) 6.032 16.330 ( -3.738 -2.021 -2.052) 4.719 ======================= 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| 1.621 ( 0.848 -0.941 0.982) 1.603 2.061 ( 1.272 3.321 2.208) 4.186 2.183 ( -3.929 -2.752 -2.624) 5.468 2.652 ( -1.979 -3.616 -12.365) 13.034 2.831 ( 0.697 -1.946 6.005) 6.351 3.063 ( -2.124 2.829 10.458) 11.040 3.323 ( -4.356 -0.960 2.000) 4.888 4.148 ( -5.793 4.916 -4.345) 8.753 4.897 ( 6.974 -1.849 4.283) 8.391 5.478 ( -1.874 -6.736 -3.801) 7.958 5.702 ( -4.084 1.607 -0.563) 4.425 5.950 ( -1.802 -1.094 3.610) 4.181 6.257 ( -3.740 4.700 -10.852) 12.404 6.752 ( 0.093 -7.799 3.501) 8.550 7.552 ( -15.164 0.650 -11.090) 18.798 7.711 ( -4.319 1.269 8.075) 9.245 8.228 ( 13.689 -0.326 10.574) 17.300 8.399 ( 4.319 0.910 -8.416) 9.503 8.788 ( -0.598 -4.273 -7.036) 8.254 9.371 ( -5.138 -1.705 27.387) 27.917 10.229 ( 7.446 -0.460 1.034) 7.531 10.942 ( -6.301 -2.512 -3.851) 7.800 11.322 ( -1.571 23.311 -1.527) 23.414 11.879 ( 4.046 -25.734 0.575) 26.056 12.398 ( 13.338 6.581 -4.830) 15.638 13.126 ( 0.415 -4.498 0.990) 4.624 14.922 ( -5.133 3.990 -7.226) 9.720 15.474 ( -2.588 1.489 5.735) 6.465 15.959 ( -0.882 -1.199 0.063) 1.490 16.280 ( -1.463 0.419 1.207) 1.943 ======================= 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| 1.627 ( -0.284 -0.373 0.720) 0.859 2.055 ( -1.888 -7.871 -3.129) 8.679 2.129 ( 2.962 1.367 -1.098) 3.442 2.468 ( 2.246 -10.169 -10.833) 15.027 2.843 ( -4.214 2.856 -1.127) 5.214 3.114 ( -1.178 6.205 7.930) 10.138 3.412 ( 1.666 4.459 14.448) 15.212 4.104 ( -2.322 6.078 -1.835) 6.761 4.984 ( 2.629 -5.668 3.868) 7.348 5.465 ( 5.253 1.531 0.138) 5.474 5.707 ( 0.708 2.284 5.886) 6.353 5.884 ( -4.686 -1.155 -1.535) 5.065 6.251 ( 4.026 8.834 -8.906) 13.174 6.711 ( 0.298 -5.287 3.202) 6.189 7.293 ( -5.933 0.757 -12.135) 13.529 7.717 ( -1.320 4.563 2.398) 5.321 8.398 ( 4.395 -4.365 0.403) 6.208 8.554 ( 9.591 -0.762 8.551) 12.872 8.689 ( -1.289 -1.732 -0.609) 2.244 9.435 ( -6.964 -1.558 24.703) 25.713 10.203 ( -7.108 -4.750 -8.112) 11.785 10.888 ( 5.765 -1.661 -0.438) 6.016 11.470 ( -3.566 14.193 -5.861) 15.764 11.690 ( -1.604 -12.382 1.837) 12.620 12.582 ( 2.582 6.055 -3.032) 7.248 13.090 ( -0.682 -2.838 0.862) 3.044 14.886 ( 4.649 -1.648 -5.471) 7.367 15.509 ( -0.549 2.284 7.848) 8.192 15.949 ( -1.839 4.886 0.242) 5.227 16.290 ( -0.464 0.794 3.705) 3.817 ======================= 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| 1.597 ( -2.058 -2.752 -0.066) 3.437 1.917 ( 2.102 -12.260 -6.183) 13.890 2.173 ( 0.661 1.074 -2.691) 2.972 2.478 ( 14.676 -6.676 -5.118) 16.916 2.769 ( -6.472 7.563 -3.338) 10.498 3.243 ( -0.429 2.588 15.161) 15.386 3.554 ( -0.011 6.001 8.921) 10.752 4.173 ( 2.627 9.813 -2.191) 10.392 4.924 ( -3.576 -8.703 4.979) 10.645 5.606 ( 2.830 7.504 -2.797) 8.494 5.838 ( 5.549 2.613 7.897) 9.999 5.885 ( 4.921 7.969 2.245) 9.631 6.427 ( 10.372 8.643 -2.751) 13.779 6.702 ( 0.932 -3.519 3.309) 4.919 7.137 ( -4.220 -1.597 -12.617) 13.400 7.839 ( 7.927 5.928 0.143) 9.900 8.264 ( -4.152 -5.533 -18.055) 19.335 8.682 ( -2.577 7.481 3.664) 8.720 8.836 ( 9.171 -9.216 27.824) 30.712 9.397 ( -14.989 -3.211 19.634) 24.909 9.929 ( -5.102 -3.820 -11.425) 13.083 11.004 ( 8.640 -2.638 -2.663) 9.418 11.343 ( -2.485 -12.406 -1.701) 12.766 11.700 ( -3.740 17.087 -5.018) 18.196 12.530 ( -12.122 2.889 0.198) 12.463 13.074 ( -0.705 1.563 -0.568) 1.806 14.942 ( 11.335 -9.471 -5.255) 15.678 15.585 ( -1.729 3.128 8.763) 9.464 16.036 ( 2.255 13.019 2.127) 13.383 16.321 ( -0.013 0.194 4.842) 4.846 ======================= 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| 1.531 ( 0.638 -4.609 -1.405) 4.861 1.817 ( 4.195 -11.846 -5.706) 13.802 2.108 ( -7.201 1.813 -2.598) 7.867 2.593 ( 5.348 -6.059 -3.663) 8.873 2.834 ( 4.403 11.026 1.035) 11.917 3.316 ( -0.262 -3.772 12.573) 13.129 3.692 ( 4.345 6.154 5.102) 9.098 4.316 ( 5.354 8.015 -4.182) 10.507 4.830 ( -7.133 2.819 6.753) 10.219 5.652 ( 0.324 5.048 -3.272) 6.025 6.021 ( 8.782 -0.627 -1.370) 8.910 6.174 ( 6.894 19.196 9.017) 22.301 6.611 ( 1.201 3.778 -1.334) 4.183 6.736 ( -0.514 1.267 3.693) 3.938 6.990 ( 5.353 -8.001 -3.855) 10.370 7.921 ( -5.670 -6.090 -4.688) 9.550 8.010 ( -2.689 -4.648 -15.744) 16.635 8.618 ( -17.861 3.492 3.113) 18.463 9.058 ( 6.224 -12.520 29.579) 32.717 9.284 ( 0.238 6.145 6.890) 9.235 9.945 ( 8.825 9.818 -6.369) 14.657 11.048 ( 3.614 -3.066 -5.073) 6.942 11.230 ( 1.890 -10.745 1.046) 10.960 11.756 ( -1.663 13.112 -8.716) 15.832 12.298 ( -16.772 2.339 1.931) 17.044 13.087 ( -1.070 6.026 -1.123) 6.222 14.969 ( 11.426 -17.265 -6.691) 21.757 15.597 ( -8.270 4.519 8.106) 12.431 16.301 ( 7.675 16.871 4.586) 19.094 16.358 ( 1.040 -0.307 3.942) 4.088 ======================= 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| 1.552 ( 8.615 -4.811 -0.829) 9.902 1.736 ( 2.111 -9.735 -3.689) 10.622 1.971 ( -9.987 3.967 -0.331) 10.751 2.556 ( 0.372 -3.939 -3.745) 5.447 2.940 ( -5.740 5.468 3.776) 8.781 3.369 ( 0.061 0.906 5.780) 5.851 3.887 ( 14.651 -5.434 3.733) 16.066 4.416 ( 2.531 4.321 -4.064) 6.449 4.875 ( -4.860 20.933 2.981) 21.695 5.700 ( 0.916 6.528 -2.072) 6.909 6.065 ( 3.915 -8.196 -3.177) 9.623 6.421 ( -5.669 8.972 -4.309) 11.454 6.580 ( 1.130 -0.439 -4.159) 4.332 6.709 ( -5.164 8.070 3.142) 10.083 7.159 ( 10.566 -5.090 15.453) 19.399 7.596 ( -8.283 -9.969 -23.381) 26.734 7.744 ( -11.371 -9.172 5.819) 15.725 8.363 ( -13.053 -1.705 3.612) 13.650 9.165 ( 0.140 -15.013 25.859) 29.901 9.616 ( 14.891 18.190 3.418) 23.755 10.212 ( 9.748 17.793 -10.656) 22.917 11.013 ( -1.060 -2.383 -5.676) 6.247 11.165 ( 0.848 -11.128 3.090) 11.580 11.792 ( 3.105 6.224 -9.129) 11.477 12.135 ( -7.686 6.491 3.571) 10.676 13.154 ( 1.209 9.236 -1.191) 9.390 14.900 ( 8.400 -20.107 -7.653) 23.096 15.505 ( -13.696 3.326 8.437) 16.426 16.403 ( 2.468 -0.004 0.165) 2.474 16.615 ( 6.380 14.966 3.438) 16.629 ======================= 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| 1.603 ( 4.352 -5.698 0.036) 7.170 1.642 ( 14.417 -1.942 3.957) 15.076 2.069 ( -5.789 1.600 1.637) 6.225 2.550 ( 8.326 8.507 -5.462) 13.097 2.636 ( -10.288 2.274 3.361) 11.060 3.515 ( -5.321 7.003 2.021) 9.024 4.070 ( -3.867 -13.268 -13.158) 19.081 4.130 ( -0.749 4.691 -1.931) 5.128 5.183 ( -10.027 -7.831 -2.412) 12.949 5.681 ( 0.614 -1.903 -7.682) 7.938 5.877 ( 9.744 6.502 -3.681) 12.279 6.181 ( -4.310 2.287 -3.993) 6.305 6.555 ( -7.162 -2.039 3.222) 8.114 6.718 ( -3.557 7.870 -7.888) 11.697 6.728 ( 7.772 16.403 2.359) 18.304 7.639 ( -1.355 2.794 6.020) 6.773 8.000 ( 0.532 -5.196 0.812) 5.286 8.553 ( -0.936 13.270 7.591) 15.316 9.177 ( -11.171 -0.715 22.956) 25.540 9.787 ( -6.202 -18.259 -8.558) 21.097 10.205 ( 5.710 -12.670 -15.907) 21.122 10.830 ( 14.272 5.636 1.506) 15.418 11.077 ( 3.797 -0.859 4.733) 6.128 11.890 ( -3.181 -2.173 -9.127) 9.907 12.431 ( -13.246 -0.709 4.050) 13.870 13.111 ( -0.476 -7.146 -2.376) 7.546 14.786 ( 18.151 0.508 1.629) 18.231 15.609 ( -8.671 11.251 9.289) 16.973 16.193 ( -4.799 0.677 -9.857) 10.985 16.719 ( -6.834 -2.738 -8.722) 11.414 ======================= 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| 1.602 ( 0.738 -1.880 -0.918) 2.218 1.901 ( 12.017 0.100 5.434) 13.189 1.993 ( -1.366 -3.563 3.306) 5.048 2.600 ( -3.071 8.127 0.492) 8.701 2.759 ( 8.564 1.559 -0.792) 8.741 3.514 ( -5.537 9.151 2.548) 10.995 3.733 ( -9.398 -9.278 -10.640) 16.959 4.154 ( -0.544 8.651 -7.093) 11.201 4.915 ( -7.638 -15.570 3.386) 17.670 5.645 ( 2.237 -1.650 -9.209) 9.619 5.990 ( -3.358 5.078 -2.845) 6.720 6.140 ( -2.192 6.231 -4.386) 7.929 6.508 ( 1.550 -3.090 5.743) 6.704 6.680 ( -2.223 1.303 -3.661) 4.477 7.087 ( 12.990 18.572 0.962) 22.684 7.671 ( 0.139 -2.018 9.679) 9.888 8.058 ( 7.692 -1.893 0.585) 7.943 8.513 ( -13.839 8.980 -7.546) 18.141 9.263 ( -1.159 -1.216 23.711) 23.770 9.449 ( -8.998 -9.822 -3.130) 13.684 10.104 ( 5.155 -10.613 -14.056) 18.352 11.041 ( 6.672 2.088 -1.742) 7.205 11.187 ( 2.515 5.392 5.134) 7.858 11.711 ( -3.179 -7.919 -7.686) 11.484 12.195 ( -9.575 -6.831 1.627) 11.874 13.054 ( 1.312 -4.903 0.191) 5.079 15.085 ( 11.683 4.552 1.568) 12.636 15.595 ( -8.087 3.073 3.389) 9.291 16.070 ( -5.221 4.498 -5.635) 8.902 16.518 ( -6.721 -2.335 -6.622) 9.720 ======================= 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| 1.594 ( 0.188 -0.410 0.443) 0.632 1.987 ( 2.965 -1.828 1.393) 3.751 2.127 ( 10.336 -3.183 2.324) 11.062 2.647 ( -2.006 8.625 -2.380) 9.170 2.786 ( 0.324 -6.954 1.754) 7.179 3.422 ( -11.001 -0.962 -0.226) 11.046 3.552 ( -8.263 7.110 1.442) 10.996 4.241 ( 2.646 15.489 -11.815) 19.659 4.718 ( -0.230 -15.466 8.660) 17.728 5.572 ( -1.607 -4.441 -4.717) 6.675 5.926 ( -7.922 7.836 -2.354) 11.389 6.101 ( -6.620 5.702 -0.958) 8.789 6.461 ( -7.213 -1.060 -4.504) 8.570 6.669 ( 4.406 -6.107 1.971) 7.784 7.539 ( 20.204 10.457 6.193) 23.578 7.749 ( 2.793 -1.281 9.779) 10.250 8.087 ( -3.358 -8.508 -5.569) 10.708 8.342 ( -4.319 8.563 -7.399) 12.113 9.051 ( -13.243 -8.825 -7.121) 17.435 9.517 ( -3.773 7.195 24.574) 25.882 10.002 ( 4.736 -7.603 -7.232) 11.513 11.080 ( 0.907 -2.559 -4.552) 5.300 11.336 ( -0.014 14.624 4.379) 15.265 11.598 ( 6.680 -11.694 -6.239) 14.842 12.075 ( 1.526 -3.160 1.018) 3.654 13.046 ( 2.407 -4.313 0.196) 4.943 15.207 ( -5.413 6.278 -5.449) 9.920 15.481 ( 0.242 -9.788 4.069) 10.603 16.048 ( -4.612 10.042 0.809) 11.080 16.385 ( -4.474 0.927 -2.618) 5.266 ======================= 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| 1.606 ( 0.772 -0.298 1.050) 1.337 2.039 ( 3.976 0.556 -2.140) 4.549 2.157 ( 0.227 -9.512 -3.293) 10.068 2.604 ( -5.240 1.059 -8.605) 10.131 2.802 ( 4.194 -0.624 5.344) 6.822 3.335 ( -5.816 6.542 11.829) 14.715 3.462 ( -11.455 7.844 2.342) 14.079 4.244 ( -4.627 2.714 -6.116) 8.135 4.790 ( 9.260 0.137 3.913) 10.054 5.466 ( -4.149 -3.681 2.189) 5.963 5.848 ( -8.732 9.803 -5.050) 14.066 6.029 ( -6.514 -0.813 4.945) 8.218 6.298 ( -4.610 3.014 -9.823) 11.262 6.679 ( 2.237 -6.960 3.195) 7.978 7.750 ( -15.226 -5.711 -9.758) 18.965 7.836 ( -1.946 -0.672 9.582) 9.801 8.004 ( 19.153 1.572 6.511) 20.290 8.345 ( 1.826 1.272 -1.649) 2.770 8.768 ( -7.920 1.690 -8.276) 11.579 9.655 ( -5.798 4.017 23.524) 24.559 10.049 ( 10.768 -4.698 -2.854) 12.090 10.958 ( -5.229 -7.046 -6.128) 10.702 11.499 ( 2.753 2.266 -2.023) 4.099 11.602 ( 5.244 1.809 2.336) 6.019 12.222 ( 12.274 7.540 -1.828) 14.520 13.040 ( 2.506 -5.592 -0.299) 6.135 15.001 ( -10.297 -3.172 -8.275) 13.585 15.496 ( 2.876 -5.302 7.720) 9.797 16.089 ( -5.444 12.875 1.623) 14.072 16.344 ( -2.521 2.396 2.004) 4.014 ======================= 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| 1.615 ( 0.608 -2.010 0.333) 2.126 1.954 ( -3.261 -16.703 -6.890) 18.360 2.108 ( 2.507 4.826 -2.877) 6.153 2.403 ( -8.775 0.693 -8.765) 12.422 2.940 ( 2.580 5.693 4.588) 7.753 3.339 ( -12.130 12.200 6.460) 18.377 3.526 ( 3.293 4.379 15.606) 16.540 4.156 ( -1.515 -1.091 -2.873) 3.427 4.946 ( 3.477 2.438 1.761) 4.597 5.445 ( 0.554 2.947 6.159) 6.850 5.792 ( -3.416 7.459 -0.869) 8.250 5.932 ( -5.320 -4.506 3.267) 7.699 6.261 ( -0.545 11.210 -9.818) 14.912 6.673 ( 1.108 -3.596 2.896) 4.748 7.376 ( -12.734 -1.832 -12.023) 17.608 7.783 ( -3.656 -1.538 -2.994) 4.970 8.321 ( 10.251 -7.548 23.990) 27.158 8.498 ( 5.728 10.116 -1.950) 11.788 8.652 ( -0.473 1.030 -5.382) 5.500 9.716 ( -7.504 1.945 19.902) 21.358 10.157 ( 5.325 -4.005 -3.258) 7.417 10.744 ( -1.105 -11.415 -6.494) 13.179 11.427 ( 0.334 -15.147 1.150) 15.194 11.801 ( -0.819 21.927 -2.326) 22.065 12.513 ( 11.666 10.147 -3.181) 15.785 13.024 ( 2.863 -6.555 0.899) 7.209 14.770 ( -3.220 -9.463 -6.654) 12.008 15.565 ( 1.946 0.237 8.902) 9.116 16.128 ( -6.138 14.707 0.112) 15.937 16.359 ( -1.831 1.705 6.538) 7.000 ======================= 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| 1.568 ( -0.964 -7.774 -1.850) 8.049 1.670 ( 0.189 -19.148 -10.579) 21.877 2.180 ( 1.052 6.350 -1.342) 6.575 2.320 ( -0.261 5.789 -1.181) 5.914 2.985 ( -8.174 11.187 -0.833) 13.880 3.371 ( -1.059 2.954 10.121) 10.597 3.692 ( -1.237 3.189 14.167) 14.574 4.158 ( 4.246 0.841 -3.121) 5.337 4.981 ( -2.987 1.936 6.421) 7.342 5.640 ( 7.174 13.381 4.049) 15.713 5.795 ( -4.113 -3.916 1.348) 5.837 5.941 ( 6.139 10.837 5.275) 13.526 6.359 ( 5.042 12.144 -4.767) 13.987 6.684 ( 0.353 -0.871 2.246) 2.435 7.133 ( -6.492 -1.414 -12.793) 14.416 7.751 ( 5.377 1.095 -4.464) 7.074 8.290 ( -11.937 0.945 -9.398) 15.222 8.743 ( 8.201 3.126 17.182) 19.294 8.783 ( 8.731 -2.107 13.362) 16.100 9.745 ( -6.750 3.493 17.744) 19.303 9.971 ( -15.459 -5.552 -7.431) 18.029 10.714 ( 13.862 -11.245 -6.104) 18.864 11.265 ( -3.667 -13.031 1.409) 13.610 11.907 ( -5.279 18.482 -8.646) 21.076 12.691 ( -0.754 6.928 -0.900) 7.027 13.042 ( 4.338 -2.722 1.336) 5.293 14.624 ( 5.358 -15.880 -6.270) 17.894 15.685 ( 1.584 4.507 9.361) 10.510 16.193 ( -2.695 16.646 -1.570) 16.935 16.393 ( -2.076 -0.168 10.558) 10.761 ======================= 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| 1.418 ( 2.637 -14.123 -6.012) 15.575 1.514 ( 6.050 -14.932 -8.362) 18.152 2.212 ( -2.354 2.623 0.435) 3.551 2.458 ( 5.388 7.454 2.320) 9.486 2.949 ( -5.468 12.028 -2.135) 13.384 3.405 ( -1.766 -6.759 11.485) 13.442 3.762 ( -2.336 3.036 7.264) 8.212 4.243 ( 6.155 2.287 -3.659) 7.517 5.038 ( -3.524 10.098 11.472) 15.684 5.716 ( -2.689 -0.064 1.756) 3.213 5.913 ( 6.088 13.625 -3.327) 15.289 6.265 ( 8.785 17.252 4.395) 19.852 6.619 ( 11.018 10.666 6.241) 16.556 6.684 ( 0.735 -3.641 3.862) 5.358 6.912 ( -5.942 -3.666 -12.164) 14.025 7.903 ( 7.103 3.885 -7.809) 11.248 7.988 ( -13.013 -0.463 -6.811) 14.695 8.856 ( -2.516 4.486 -5.567) 7.579 9.041 ( 5.092 -13.456 33.103) 36.094 9.515 ( -20.229 -4.815 9.237) 22.754 9.917 ( 4.791 16.843 -2.696) 17.717 10.816 ( 13.210 -7.041 -6.603) 16.361 11.104 ( -0.695 -11.440 -1.188) 11.522 11.889 ( -6.359 11.054 -8.598) 15.380 12.594 ( -13.799 1.301 1.578) 13.950 13.124 ( 3.160 4.641 -1.319) 5.768 14.539 ( 10.743 -21.592 -6.686) 25.026 15.795 ( -2.659 4.758 9.446) 10.906 16.336 ( 2.683 10.654 -3.585) 11.556 16.451 ( -0.260 5.494 12.725) 13.863 ======================= 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| 1.337 ( 6.315 -11.725 -3.614) 13.799 1.452 ( 11.148 -14.904 -8.432) 20.433 2.169 ( -5.957 1.857 2.249) 6.633 2.552 ( -2.681 5.387 -0.613) 6.048 3.056 ( 2.299 10.016 0.724) 10.302 3.414 ( 3.957 -4.301 10.421) 11.947 3.735 ( -3.821 -5.528 2.814) 7.286 4.358 ( 5.928 5.951 -5.048) 9.800 5.192 ( -4.386 17.323 10.903) 20.933 5.731 ( 1.951 1.382 2.923) 3.776 5.996 ( -3.809 8.976 -11.410) 15.009 6.536 ( 1.104 0.412 -1.046) 1.576 6.576 ( -4.367 10.359 -3.131) 11.670 6.793 ( 0.152 1.206 -3.132) 3.359 7.045 ( 13.549 4.420 14.496) 20.328 7.632 ( -14.070 2.428 -11.983) 18.640 7.903 ( -12.145 -6.704 0.353) 13.877 8.591 ( -15.757 -6.753 4.101) 17.627 9.201 ( 3.048 -14.049 28.985) 32.355 9.516 ( 11.594 8.429 1.798) 14.446 10.188 ( 6.390 25.504 -14.934) 30.238 10.868 ( 5.012 -8.388 -9.849) 13.874 11.060 ( 5.247 -6.471 5.561) 10.017 11.810 ( -4.726 4.110 -4.106) 7.489 12.382 ( -11.787 2.610 2.127) 12.259 13.205 ( 1.249 7.967 -3.551) 8.812 14.461 ( 11.820 -24.268 -6.540) 27.775 15.793 ( -9.503 2.246 10.371) 14.244 16.379 ( 0.348 -0.390 0.869) 1.014 16.685 ( 5.565 14.811 2.858) 16.078 ======================= 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| 1.308 ( 20.504 -3.386 3.206) 21.028 1.424 ( 12.814 -6.191 1.171) 14.279 2.214 ( -4.677 1.971 0.341) 5.087 2.544 ( -6.128 6.105 -5.595) 10.302 2.896 ( -11.581 3.256 3.117) 12.427 3.546 ( 10.448 -1.663 -2.941) 10.981 3.931 ( -3.823 -3.688 -5.711) 7.800 4.173 ( -2.105 1.675 -0.454) 2.728 5.326 ( -15.177 1.145 -13.965) 20.656 5.735 ( -12.139 -0.812 0.616) 12.182 5.807 ( 4.888 4.484 4.298) 7.904 6.317 ( -9.767 9.715 -1.934) 13.911 6.666 ( -4.325 -6.137 4.705) 8.861 6.724 ( 1.112 3.528 3.229) 4.910 6.869 ( -0.670 20.601 -12.784) 24.255 7.730 ( -3.997 0.163 3.940) 5.614 7.946 ( -1.450 -5.829 3.630) 7.018 8.728 ( 0.084 8.891 5.665) 10.543 9.408 ( 3.739 -4.845 7.350) 9.565 9.782 ( -13.175 2.848 -13.649) 19.183 9.839 ( -1.177 -22.259 -4.487) 22.738 10.677 ( 13.986 6.684 6.815) 16.933 11.025 ( 5.495 1.005 3.023) 6.351 11.895 ( -5.018 -0.537 -8.082) 9.529 12.600 ( -8.333 -7.799 0.945) 11.452 13.096 ( -2.665 0.260 1.184) 2.928 14.431 ( 24.452 -2.654 3.742) 24.879 15.883 ( -8.279 5.488 2.743) 10.304 16.282 ( -6.077 5.788 -0.767) 8.427 16.718 ( -4.347 -2.433 -12.024) 13.015 ======================= 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| 1.514 ( 7.078 -2.071 0.156) 7.376 1.692 ( 16.269 -0.234 5.742) 17.254 2.073 ( -9.229 -3.555 0.875) 9.928 2.552 ( 5.412 -1.256 0.484) 5.577 2.855 ( -5.466 12.500 -0.714) 13.662 3.575 ( 0.512 -5.195 -11.752) 12.859 3.762 ( -4.099 4.274 -1.745) 6.174 4.224 ( -1.133 4.966 3.835) 6.376 4.985 ( -14.140 -5.528 -6.867) 16.663 5.608 ( -4.355 1.890 -0.098) 4.749 5.998 ( 9.792 4.614 0.431) 10.833 6.254 ( -9.569 9.436 0.385) 13.444 6.559 ( -3.974 -3.396 4.583) 6.951 6.732 ( -3.281 0.064 1.096) 3.460 7.081 ( 7.482 18.255 -8.581) 21.514 7.635 ( 1.478 -14.435 10.011) 17.629 7.969 ( 1.728 -0.603 0.659) 1.945 8.682 ( -7.391 -7.312 -4.326) 11.261 9.354 ( -6.112 1.576 -2.438) 6.766 9.627 ( -1.016 5.101 -6.697) 8.480 9.762 ( 4.519 -2.249 -0.913) 5.129 10.946 ( 7.482 1.594 4.807) 9.034 11.171 ( 7.107 2.343 4.889) 8.939 11.725 ( -7.131 -1.654 -6.019) 9.477 12.317 ( -12.670 -10.580 -0.485) 16.514 13.057 ( -3.699 1.086 2.066) 4.373 14.843 ( 21.394 -0.435 5.442) 22.080 15.743 ( -9.854 -2.497 -4.926) 11.297 16.254 ( -6.851 10.061 2.748) 12.478 16.551 ( -5.124 0.591 -9.151) 10.505 ======================= 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| 1.592 ( 1.877 2.847 -0.378) 3.431 1.917 ( 7.473 -5.389 1.381) 9.316 1.938 ( 1.385 -4.709 2.251) 5.400 2.651 ( 6.221 -2.561 3.382) 7.530 2.827 ( -7.213 3.494 -2.937) 8.536 3.437 ( -0.822 -4.841 -6.172) 7.887 3.844 ( -3.259 17.994 1.293) 18.332 4.292 ( 0.442 12.369 -1.283) 12.443 4.668 ( -9.020 -13.833 0.547) 16.523 5.580 ( -2.596 1.524 1.892) 3.556 6.158 ( -6.332 9.986 -0.869) 11.856 6.189 ( 0.318 3.773 -0.319) 3.800 6.532 ( -3.686 -2.102 3.955) 5.801 6.621 ( -4.932 -1.703 -3.532) 6.301 7.334 ( 13.908 6.839 -2.305) 15.669 7.706 ( 8.672 -10.913 18.617) 23.257 7.943 ( 2.440 -8.440 -6.376) 10.855 8.413 ( -6.946 -8.715 -7.408) 13.382 9.255 ( -13.620 13.777 -4.490) 19.886 9.623 ( 10.672 -7.398 -17.315) 21.643 9.876 ( -2.605 11.437 12.501) 17.143 11.016 ( 0.118 -3.113 1.255) 3.359 11.351 ( 8.223 -1.868 1.780) 8.618 11.590 ( -7.326 6.578 2.019) 10.051 12.068 ( -4.668 -4.324 -0.492) 6.382 13.025 ( -2.473 1.197 0.071) 2.749 15.180 ( 13.940 -0.479 6.263) 15.290 15.455 ( -11.681 -9.426 -6.976) 16.551 16.284 ( -5.821 12.575 4.852) 14.682 16.444 ( -3.886 3.430 -6.076) 7.987 ======================= 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| 1.615 ( -1.139 0.858 0.282) 1.453 1.910 ( 4.381 -6.573 -2.608) 8.319 2.010 ( 5.376 -3.771 -2.169) 6.916 2.679 ( -5.272 -2.870 -3.117) 6.764 2.766 ( 3.654 2.785 3.217) 5.609 3.404 ( 2.378 -0.218 3.324) 4.093 3.896 ( -14.060 18.074 4.470) 23.331 4.305 ( -9.420 -0.513 -5.822) 11.086 4.622 ( 13.583 1.161 2.898) 13.937 5.568 ( -4.084 1.077 7.653) 8.741 6.079 ( -9.531 10.580 -4.448) 14.918 6.192 ( -8.673 -2.501 3.227) 9.586 6.347 ( -5.509 2.237 -7.452) 9.533 6.627 ( 1.312 0.545 2.898) 3.228 7.613 ( 13.629 -12.600 1.985) 18.666 7.826 ( 3.136 1.839 -13.347) 13.833 7.893 ( 4.323 -6.367 21.328) 22.674 8.259 ( 3.736 -7.015 -3.097) 8.529 9.052 ( -20.684 16.422 -9.284) 27.995 9.671 ( 15.457 -10.511 -6.249) 19.709 9.985 ( -6.440 8.287 10.852) 15.097 10.931 ( -4.615 -6.847 -1.974) 8.489 11.345 ( 1.959 -8.480 -2.315) 9.006 11.718 ( 2.874 16.014 4.803) 16.964 12.123 ( 7.927 7.859 0.424) 11.170 12.990 ( -1.886 -0.156 -1.706) 2.548 15.088 ( -13.230 -10.109 -6.443) 17.853 15.407 ( 8.823 -3.671 8.942) 13.087 16.342 ( -6.606 15.324 -1.145) 16.727 16.417 ( -0.873 3.359 2.804) 4.462 ======================= 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| 1.582 ( -0.796 -4.184 -1.351) 4.468 1.779 ( -2.263 -16.907 -6.299) 18.183 2.100 ( 4.066 8.906 -3.164) 10.289 2.529 ( -7.296 1.468 -4.735) 8.821 2.927 ( 7.493 4.079 5.104) 9.941 3.558 ( 6.499 1.944 10.709) 12.677 3.810 ( -18.501 15.500 5.678) 24.795 4.102 ( -2.822 -7.924 -5.442) 10.019 4.903 ( 9.511 9.558 1.161) 13.534 5.580 ( -3.814 1.582 12.874) 13.520 5.948 ( -8.739 6.787 -9.415) 14.528 6.034 ( -6.593 -0.669 5.768) 8.786 6.344 ( -1.694 11.784 -5.051) 12.932 6.677 ( -0.119 3.988 2.831) 4.893 7.427 ( -7.722 -12.028 -9.714) 17.282 7.767 ( -3.825 -3.590 -9.339) 10.712 8.214 ( 16.871 -8.570 32.783) 37.852 8.380 ( 12.699 4.167 -4.171) 14.001 8.831 ( -16.174 14.901 -8.324) 23.514 9.840 ( 19.723 -11.505 -2.486) 22.968 9.978 ( -8.209 4.270 9.503) 13.264 10.693 ( -10.099 -11.196 -4.048) 15.612 11.303 ( 2.259 -8.317 1.819) 8.808 11.969 ( 3.668 18.710 -1.900) 19.161 12.394 ( 11.166 11.957 -2.754) 16.590 12.943 ( -0.236 -2.998 -0.059) 3.008 14.733 ( -10.293 -13.939 -4.879) 18.002 15.571 ( 5.582 -0.202 11.001) 12.338 16.350 ( -4.099 10.502 -4.086) 11.991 16.485 ( -3.420 7.862 7.657) 11.495 ======================= 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| 1.469 ( -2.474 -14.326 -5.398) 15.508 1.475 ( -5.392 -15.446 -7.602) 18.040 2.219 ( 1.234 7.077 -1.382) 7.315 2.462 ( -4.081 10.641 -1.108) 11.450 3.122 ( 4.891 6.521 2.626) 8.564 3.544 ( -12.394 -3.679 4.055) 13.549 3.834 ( -1.157 6.642 12.036) 13.795 4.029 ( 5.028 -1.959 -4.311) 6.907 5.124 ( 1.007 12.024 7.749) 14.340 5.648 ( 2.102 -1.919 9.271) 9.698 5.936 ( 1.984 12.405 -6.652) 14.215 6.019 ( -4.985 12.728 10.043) 16.962 6.423 ( 0.075 12.996 -3.132) 13.368 6.732 ( -1.921 6.333 2.670) 7.137 7.127 ( -7.175 -7.624 -10.793) 15.036 7.627 ( 1.531 -3.624 -8.158) 9.057 8.485 ( -7.285 0.746 6.248) 9.627 8.626 ( 13.772 4.993 -8.883) 17.132 8.782 ( 3.690 1.591 24.848) 25.171 9.899 ( -2.356 4.627 -4.178) 6.664 10.103 ( 10.983 -4.548 9.415) 15.165 10.367 ( -7.015 -16.102 -4.193) 18.058 11.242 ( -3.448 -8.625 3.987) 10.108 12.090 ( -4.381 15.646 -11.988) 20.192 12.646 ( 11.014 8.111 -6.429) 15.114 12.961 ( 2.783 -2.952 6.418) 7.593 14.414 ( -5.014 -18.121 -5.152) 19.495 15.747 ( 4.145 3.700 11.092) 12.406 16.360 ( -2.593 8.214 -3.142) 9.169 16.545 ( -4.621 7.266 8.978) 12.440 ======================= 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| 1.133 ( -2.205 -19.544 -9.313) 21.761 1.299 ( 0.807 -15.209 -5.722) 16.270 2.226 ( -0.853 -4.980 -0.557) 5.083 2.577 ( 0.190 16.553 3.049) 16.832 3.184 ( -8.907 10.693 -2.716) 14.179 3.350 ( -0.447 -13.061 2.630) 13.331 3.903 ( -2.737 1.954 8.743) 9.367 4.142 ( 6.221 3.167 1.068) 7.062 5.302 ( -3.015 13.494 15.298) 20.621 5.688 ( 2.149 -5.264 3.451) 6.652 6.074 ( 0.121 21.330 -5.216) 21.959 6.326 ( 6.639 21.412 10.027) 24.558 6.563 ( 5.531 8.483 1.282) 10.208 6.772 ( -2.898 7.034 5.050) 9.131 6.886 ( -5.183 -5.139 -11.242) 13.403 7.717 ( 14.078 5.176 -6.213) 16.235 8.248 ( -18.774 5.001 -6.209) 20.397 8.778 ( 7.339 3.782 -11.911) 14.493 9.041 ( 4.429 -15.313 32.325) 36.042 9.843 ( -14.755 -0.505 -1.334) 14.824 10.098 ( -3.826 11.381 10.403) 15.887 10.401 ( 20.826 -8.518 -5.143) 23.081 11.050 ( -8.098 -10.543 -1.836) 13.420 12.029 ( -5.639 9.641 -11.483) 16.019 12.776 ( -2.602 3.292 -3.465) 5.442 13.037 ( 6.556 -1.688 3.882) 7.804 14.157 ( 2.653 -22.515 -6.010) 23.453 15.911 ( 1.510 4.891 9.326) 10.639 16.380 ( -0.641 4.352 -1.532) 4.658 16.612 ( -2.367 7.471 9.107) 12.015 ======================= 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| 0.970 ( 11.938 -17.848 -7.257) 22.665 1.136 ( 3.181 -16.819 -6.023) 18.146 2.131 ( 3.792 -15.505 0.161) 15.963 2.752 ( -4.629 14.798 5.006) 16.293 3.131 ( -1.559 10.606 -3.002) 11.132 3.285 ( 2.784 -9.326 1.173) 9.804 3.886 ( -7.533 -2.145 10.579) 13.163 4.287 ( 5.928 6.162 -2.764) 8.987 5.480 ( -2.260 8.950 14.877) 17.508 5.721 ( 1.349 3.296 4.193) 5.501 6.171 ( -7.363 18.305 -14.942) 24.750 6.576 ( -2.564 4.407 6.583) 8.326 6.697 ( 5.510 2.621 0.851) 6.160 6.728 ( -1.647 7.238 -5.401) 9.180 7.037 ( 8.893 15.539 10.047) 20.530 7.895 ( -15.680 10.686 -7.403) 20.368 7.985 ( -1.292 2.306 -4.001) 4.796 8.747 ( -5.736 -6.292 0.227) 8.517 9.136 ( 8.119 -12.307 20.804) 25.499 9.533 ( -10.914 -6.382 5.401) 13.748 10.317 ( -1.681 27.640 -12.774) 30.495 10.574 ( 10.960 -8.492 -11.302) 17.888 10.924 ( 8.587 -5.694 6.576) 12.223 11.945 ( -7.447 3.981 -1.710) 8.616 12.589 ( -12.716 -3.231 0.193) 13.121 13.183 ( 6.738 3.559 -2.908) 8.156 13.988 ( 9.359 -25.617 -4.844) 27.699 15.996 ( -3.720 2.984 8.996) 10.182 16.388 ( -0.687 -1.529 2.723) 3.198 16.749 ( 3.165 10.802 1.727) 11.388 ======================= 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| 0.976 ( 0.000 -0.000 21.952) 21.952 0.976 ( 0.000 -0.000 21.952) 21.952 1.306 ( 0.000 -0.000 25.393) 25.393 3.058 ( -0.000 0.000 -5.651) 5.651 3.403 ( 0.000 0.000 -5.315) 5.315 3.403 ( -0.000 0.000 -5.315) 5.315 3.819 ( 0.000 0.000 4.232) 4.232 3.819 ( 0.000 -0.000 4.232) 4.232 5.131 ( -0.000 0.000 -12.724) 12.724 5.742 ( -0.000 0.000 -12.888) 12.888 6.617 ( 0.000 -0.000 4.255) 4.255 6.617 ( 0.000 -0.000 4.255) 4.255 6.933 ( -0.000 0.000 -16.187) 16.187 6.933 ( -0.000 0.000 -16.187) 16.187 7.043 ( 0.000 -0.000 7.942) 7.942 8.149 ( -0.000 0.000 -4.363) 4.363 8.149 ( -0.000 0.000 -4.363) 4.363 9.044 ( -0.000 0.000 -17.614) 17.614 9.211 ( 0.000 -0.000 3.944) 3.944 9.211 ( 0.000 -0.000 3.944) 3.944 10.185 ( 0.000 -0.000 6.977) 6.977 10.185 ( 0.000 -0.000 6.977) 6.977 12.368 ( 0.000 0.000 -3.378) 3.378 12.368 ( -0.000 0.000 -3.378) 3.378 12.715 ( 0.000 -0.000 17.039) 17.039 13.129 ( 0.000 -0.000 2.920) 2.920 13.129 ( 0.000 -0.000 2.920) 2.920 14.573 ( 0.000 -0.000 4.664) 4.664 16.287 ( 0.000 -0.000 3.166) 3.166 17.361 ( -0.000 0.000 -6.652) 6.652 ======================= 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| 1.106 ( 0.579 4.869 16.998) 17.691 1.248 ( 6.054 0.133 20.041) 20.935 1.634 ( 15.204 8.231 15.176) 23.005 3.004 ( -1.823 -0.496 -8.106) 8.323 3.180 ( -6.097 -4.016 -3.618) 8.148 3.527 ( 3.303 5.658 -4.941) 8.206 3.634 ( -11.633 -2.896 6.781) 13.773 4.093 ( 13.558 3.287 -2.536) 14.179 5.065 ( 1.924 0.833 -9.185) 9.421 5.618 ( -1.774 -1.420 -11.311) 11.537 6.511 ( -7.133 0.694 3.081) 7.801 6.762 ( -11.391 8.716 -17.884) 22.925 6.774 ( 4.334 1.541 5.652) 7.287 7.017 ( -1.555 -4.243 1.300) 4.702 7.069 ( 20.110 -4.606 -11.322) 23.533 7.768 ( -9.655 -29.060 -4.902) 31.012 8.138 ( -5.749 5.536 -12.845) 15.122 8.685 ( -27.760 9.272 -2.393) 29.365 9.252 ( -3.860 -1.327 13.658) 14.255 9.434 ( 12.039 6.496 -1.478) 13.760 10.108 ( 5.728 -10.578 4.666) 12.903 10.517 ( 12.932 12.407 1.548) 17.988 11.800 ( -13.491 -44.117 5.550) 46.466 12.185 ( -23.243 23.887 -4.541) 33.637 12.924 ( -10.688 -1.180 7.931) 13.361 13.272 ( 12.580 -6.756 3.690) 14.748 13.404 ( 19.620 17.328 10.775) 28.307 14.829 ( 16.177 8.221 -7.639) 19.689 16.309 ( 0.088 0.239 2.707) 2.719 17.242 ( -5.731 -2.805 -6.581) 9.167 ======================= 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| 1.293 ( 3.686 5.885 10.099) 12.256 1.454 ( 4.512 0.720 16.232) 16.863 1.987 ( 9.028 4.582 1.572) 10.245 2.828 ( -7.327 -3.976 -9.600) 12.714 3.195 ( 7.999 3.880 0.784) 8.924 3.436 ( -12.749 -3.286 7.065) 14.942 3.561 ( -3.248 4.467 -3.545) 6.563 4.254 ( 7.929 1.360 -8.996) 12.068 5.134 ( 8.029 4.952 -1.374) 9.533 5.542 ( 3.512 -3.318 -9.863) 10.983 6.387 ( -13.607 3.311 -12.030) 18.462 6.454 ( -13.441 -1.194 -4.810) 14.326 6.847 ( -0.611 -5.857 8.215) 10.108 6.900 ( -5.634 -3.224 -0.332) 6.500 7.174 ( 6.195 -18.102 -14.712) 24.135 7.462 ( 9.319 -11.945 -2.871) 15.419 7.960 ( -8.043 2.888 -13.820) 16.249 8.374 ( -25.602 16.531 9.458) 31.909 9.212 ( -10.207 -3.659 21.038) 23.669 9.689 ( 8.944 12.266 -3.922) 15.679 10.224 ( 14.520 -7.102 3.063) 16.451 10.811 ( 9.871 7.429 -1.888) 12.498 11.289 ( -6.379 -34.903 4.149) 35.723 12.048 ( -14.500 20.954 -5.089) 25.985 12.754 ( -12.308 -3.629 6.047) 14.186 13.367 ( 5.166 -4.654 0.332) 6.962 13.978 ( 20.461 11.290 14.728) 27.623 15.019 ( 8.814 2.405 -13.631) 16.410 16.330 ( 0.205 1.106 0.462) 1.216 17.050 ( -7.782 -2.683 -7.994) 11.474 ======================= 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| 1.450 ( 3.466 3.618 3.691) 6.223 1.652 ( 5.520 2.411 12.999) 14.327 2.081 ( 0.928 2.546 -0.561) 2.767 2.600 ( -7.212 -4.190 -8.742) 12.083 3.158 ( -12.502 -11.338 5.388) 17.716 3.423 ( 2.199 -1.992 -5.035) 5.844 3.552 ( 2.633 15.263 1.294) 15.542 4.292 ( 4.031 2.554 -12.992) 13.841 5.375 ( 6.494 5.837 2.269) 9.022 5.509 ( 8.030 -7.178 -3.135) 11.218 6.032 ( -4.311 -4.086 -21.121) 21.941 6.236 ( -14.015 -2.705 -0.117) 14.274 6.680 ( -11.192 -11.425 -3.023) 16.277 6.794 ( -2.811 -3.567 1.683) 4.843 7.006 ( -1.971 -8.133 -4.342) 9.428 7.536 ( 0.388 7.742 1.163) 7.839 7.802 ( -0.259 -3.478 -9.402) 10.028 8.307 ( -8.638 11.465 13.434) 19.660 9.168 ( -8.743 -1.742 22.564) 24.261 9.902 ( 5.485 13.122 -6.202) 15.516 10.467 ( 16.236 -2.227 2.841) 16.633 10.905 ( -5.128 -14.134 -5.100) 15.877 10.993 ( 4.686 -5.132 0.955) 7.015 12.041 ( -3.247 12.957 -2.041) 13.513 12.507 ( -15.003 -6.188 2.171) 16.374 13.369 ( 0.916 -4.187 -1.872) 4.677 14.497 ( 18.539 8.421 12.296) 23.787 15.034 ( 4.581 -2.059 -10.250) 11.414 16.332 ( -1.237 1.837 -3.136) 3.839 16.836 ( -7.152 -1.556 -10.134) 12.501 ======================= 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| 1.544 ( 3.627 1.909 1.115) 4.247 1.828 ( 3.208 -0.782 9.795) 10.337 2.110 ( -3.390 4.352 3.418) 6.489 2.420 ( -3.339 -1.298 -5.940) 6.937 2.839 ( -13.307 -11.787 2.404) 17.938 3.348 ( 0.220 -1.447 -3.899) 4.165 3.820 ( 9.337 11.966 -2.761) 15.427 4.271 ( 0.612 3.988 -14.721) 15.264 5.274 ( -1.387 -11.953 -3.117) 12.431 5.787 ( 11.090 6.794 1.178) 13.059 5.886 ( -5.007 0.807 -16.279) 17.051 6.017 ( 5.386 -8.520 -2.546) 10.396 6.312 ( -13.817 -7.315 -8.407) 17.751 6.722 ( -5.903 -0.377 -0.313) 5.923 6.862 ( -5.603 -3.073 3.493) 7.283 7.641 ( -2.395 4.936 4.489) 7.089 7.801 ( 8.077 3.507 0.013) 8.805 8.405 ( -0.346 2.416 12.123) 12.367 9.205 ( -4.448 2.981 19.694) 20.409 10.019 ( 0.144 9.409 -8.120) 12.429 10.590 ( -8.020 -10.413 -8.258) 15.523 10.716 ( 10.235 -1.709 0.637) 10.396 11.062 ( 3.539 1.367 -0.266) 3.803 12.121 ( -0.391 -10.165 3.236) 10.675 12.215 ( -8.211 7.743 -2.858) 11.642 13.300 ( -2.817 -2.319 -3.442) 5.016 14.832 ( 6.511 0.172 -0.944) 6.581 15.117 ( 12.054 1.931 6.778) 13.963 16.258 ( -4.784 1.473 -8.274) 9.671 16.688 ( -0.988 1.096 -10.236) 10.342 ======================= 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| 1.626 ( 1.805 1.082 1.174) 2.410 1.816 ( -11.314 -2.866 5.992) 13.119 2.051 ( -1.235 -4.443 3.020) 5.512 2.366 ( -0.157 -5.469 -5.470) 7.737 2.695 ( 1.328 9.170 3.933) 10.066 3.393 ( 6.951 1.331 -2.373) 7.465 4.021 ( 6.950 5.300 -4.090) 9.650 4.175 ( -4.668 2.244 -13.956) 14.886 5.184 ( 3.573 -5.862 -3.658) 7.779 5.644 ( -2.997 -5.829 -11.193) 12.971 5.862 ( -6.156 6.450 -2.327) 9.215 6.083 ( 1.722 -1.340 -8.733) 9.001 6.208 ( 17.119 -6.266 -4.701) 18.826 6.633 ( -3.257 2.540 1.307) 4.332 6.834 ( -3.415 2.700 8.545) 9.590 7.638 ( -1.222 -1.603 4.254) 4.708 8.042 ( 6.390 9.695 3.905) 12.250 8.478 ( 1.504 -4.267 11.888) 12.720 9.348 ( 2.935 7.391 11.269) 13.793 9.922 ( -8.392 -2.552 -12.993) 15.677 10.339 ( -8.051 6.041 -15.369) 18.371 10.736 ( -1.580 -13.179 5.062) 14.206 11.164 ( 0.547 5.909 6.273) 8.635 11.872 ( -5.279 -6.376 -6.428) 10.480 12.395 ( 10.421 3.576 5.032) 12.112 13.199 ( -4.089 -0.300 -4.382) 6.001 14.780 ( -4.863 -8.062 -0.567) 9.432 15.461 ( 14.087 5.325 9.672) 17.898 16.146 ( -1.413 3.168 -10.366) 10.931 16.665 ( 3.014 2.777 -10.654) 11.415 ======================= 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| 1.493 ( -19.282 -9.289 5.755) 22.163 1.555 ( -10.131 -5.010 -0.144) 11.303 2.141 ( 8.359 1.943 2.459) 8.927 2.356 ( 7.854 1.334 -4.171) 8.992 2.942 ( 5.761 15.351 3.313) 16.727 3.506 ( 3.742 0.073 -3.374) 5.039 3.979 ( -7.143 -2.390 -6.631) 10.035 4.103 ( 4.209 -0.037 -5.156) 6.656 5.191 ( 5.725 3.326 -12.860) 14.464 5.660 ( 10.916 3.431 1.279) 11.514 5.826 ( -4.162 4.666 -1.336) 6.394 6.092 ( 10.578 -1.430 -9.615) 14.366 6.385 ( 15.567 -4.411 -6.171) 17.316 6.682 ( 3.205 2.529 1.005) 4.204 6.884 ( -5.020 5.775 10.976) 13.380 7.644 ( 2.887 -6.437 5.581) 8.995 8.171 ( -5.474 12.695 2.738) 14.094 8.600 ( 8.808 -5.104 12.056) 15.779 9.505 ( 2.852 -7.069 -34.675) 35.503 9.639 ( -4.409 5.531 15.804) 17.315 10.189 ( -11.351 14.993 -15.614) 24.443 10.562 ( -3.080 -19.645 7.985) 21.429 11.189 ( -9.778 3.137 9.007) 13.659 11.830 ( 5.484 3.547 -2.693) 7.064 12.627 ( 9.438 1.030 5.154) 10.803 13.107 ( -2.494 -0.728 -4.718) 5.386 14.528 ( -13.517 -12.684 3.038) 18.783 15.769 ( 10.808 4.374 2.682) 11.964 16.183 ( 6.517 6.324 -3.215) 9.634 16.655 ( 1.513 2.299 -13.281) 13.563 ======================= 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| 1.282 ( 4.921 5.952 17.267) 18.915 1.384 ( -3.621 8.099 17.433) 19.560 1.688 ( -0.904 9.386 12.740) 15.850 2.954 ( -0.212 -0.208 -10.320) 10.325 3.095 ( 0.780 -13.388 -2.705) 13.681 3.512 ( 2.033 5.948 -3.967) 7.433 3.747 ( 5.148 -5.216 5.183) 8.976 4.005 ( -5.329 3.949 -1.051) 6.715 5.010 ( -0.246 2.927 -6.862) 7.464 5.539 ( -0.565 -3.168 -9.170) 9.719 6.499 ( 5.601 -8.123 -0.241) 9.870 6.596 ( 7.717 -10.151 -8.260) 15.193 6.858 ( -1.758 8.087 3.485) 8.979 7.012 ( -9.445 10.750 -9.495) 17.173 7.054 ( -3.001 0.832 -0.474) 3.150 7.628 ( -12.474 -28.349 -8.267) 32.056 8.089 ( 2.359 0.085 -12.240) 12.466 8.810 ( 24.636 3.636 -12.124) 27.697 9.285 ( -5.153 -0.246 10.111) 11.351 9.477 ( -1.521 9.801 8.722) 13.208 10.135 ( -8.499 -1.933 3.619) 9.438 10.496 ( 3.306 12.232 1.739) 12.789 11.474 ( -9.491 -54.679 2.699) 55.562 12.502 ( 10.859 5.579 -3.014) 12.575 12.990 ( 5.105 -7.116 5.731) 10.466 13.155 ( -8.121 1.346 6.062) 10.223 13.559 ( -0.108 29.770 10.116) 31.442 14.804 ( -0.865 15.691 -5.588) 16.679 16.321 ( 0.122 -1.486 3.083) 3.425 17.171 ( 0.496 -9.360 -7.048) 11.727 ======================= 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| 1.476 ( -3.859 10.823 11.383) 16.175 1.534 ( 1.621 2.895 17.669) 17.978 1.907 ( 7.657 7.887 1.533) 11.099 2.798 ( -4.130 -5.432 -12.516) 14.255 3.071 ( 6.475 -3.655 0.339) 7.443 3.540 ( -0.967 -1.229 -0.939) 1.824 3.730 ( -7.381 3.228 3.393) 8.741 4.015 ( 8.460 -5.559 -6.362) 11.957 5.061 ( 5.899 5.357 -0.801) 8.009 5.440 ( -1.534 -1.096 -6.821) 7.077 6.467 ( -1.319 -7.385 -3.387) 8.231 6.588 ( -20.010 -16.748 -11.308) 28.439 6.682 ( 16.875 -13.023 -5.740) 22.075 6.903 ( -2.123 -4.997 -1.296) 5.582 7.032 ( -6.857 13.715 -1.284) 15.387 7.316 ( -0.288 -4.027 3.868) 5.592 7.959 ( -4.266 -0.915 -11.867) 12.643 9.023 ( -13.406 17.781 -3.990) 22.623 9.358 ( 13.430 -4.871 8.929) 16.846 9.520 ( -6.147 7.405 -1.752) 9.782 10.128 ( 4.329 -1.436 14.865) 15.549 10.696 ( 7.914 7.375 -5.456) 12.116 10.916 ( -0.085 -47.264 7.613) 47.874 12.430 ( -12.728 6.098 -8.164) 16.305 12.953 ( -8.394 -1.322 4.792) 9.755 13.182 ( 6.643 -8.474 3.527) 11.330 13.995 ( 9.415 22.719 13.743) 28.172 14.907 ( 2.550 10.681 -11.214) 15.695 16.327 ( 0.575 -1.745 1.565) 2.413 17.011 ( -1.916 -10.464 -7.504) 13.018 ======================= 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| 1.551 ( -4.150 7.393 5.905) 10.332 1.715 ( 2.275 3.502 15.359) 15.917 2.068 ( 4.622 7.193 -2.155) 8.818 2.590 ( -4.875 -4.367 -11.338) 13.091 3.145 ( 3.382 -7.772 1.468) 8.602 3.446 ( -6.344 -2.742 0.709) 6.948 3.684 ( -3.762 7.665 0.109) 8.539 4.046 ( 10.677 -8.018 -12.343) 18.183 5.276 ( 8.504 1.987 -0.426) 8.743 5.402 ( 2.501 3.756 2.139) 4.994 6.005 ( -15.081 -16.083 -10.462) 24.404 6.256 ( -6.643 -13.826 -9.403) 17.991 6.728 ( 4.653 -10.678 -5.662) 12.951 6.832 ( -1.795 -1.282 -0.996) 2.421 6.990 ( -9.284 8.320 1.698) 12.581 7.491 ( 10.536 5.927 7.386) 14.167 7.819 ( -5.774 4.482 -7.547) 10.507 8.814 ( -23.019 9.725 5.926) 25.682 9.404 ( -8.803 0.545 8.077) 11.960 9.687 ( 19.691 0.629 -5.889) 20.562 10.356 ( 8.514 -2.105 16.329) 18.535 10.596 ( 5.711 -26.467 -0.229) 27.077 10.876 ( 7.242 3.177 -4.269) 8.987 12.210 ( -9.592 0.602 -8.418) 12.777 12.751 ( -16.602 -2.172 2.872) 16.988 13.223 ( 6.564 -8.579 0.591) 10.818 14.451 ( 11.573 15.010 13.026) 22.998 14.937 ( 1.271 6.658 -10.470) 12.472 16.326 ( 0.520 -1.011 -1.363) 1.775 16.808 ( -3.735 -9.216 -9.390) 13.677 ======================= 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| 1.581 ( -2.061 5.015 2.553) 5.993 1.857 ( 0.941 0.420 11.206) 11.253 2.206 ( 1.124 7.079 2.372) 7.550 2.424 ( -2.790 0.346 -8.050) 8.527 2.980 ( -11.213 -11.320 3.934) 16.412 3.324 ( -3.702 -1.265 -3.791) 5.448 3.789 ( 5.310 9.683 -2.526) 11.329 4.056 ( 10.523 -7.167 -15.605) 20.140 5.188 ( -5.372 -9.019 -1.068) 10.551 5.691 ( 13.392 0.885 1.573) 13.513 5.748 ( 0.085 4.928 -5.041) 7.050 5.907 ( -7.624 -14.336 -10.890) 19.551 6.548 ( -13.295 1.263 -9.950) 16.654 6.781 ( -2.900 -1.981 1.680) 3.893 6.954 ( -3.478 0.590 7.514) 8.301 7.728 ( -2.063 6.694 3.553) 7.854 7.817 ( 5.219 12.361 0.880) 13.447 8.605 ( -12.926 -0.201 10.173) 16.450 9.328 ( -1.429 -3.344 -0.887) 3.743 9.932 ( 9.665 1.018 -1.235) 9.797 10.393 ( 7.033 -23.999 1.917) 25.082 10.660 ( 3.831 10.028 3.921) 11.429 10.995 ( 6.608 5.316 -3.835) 9.307 12.022 ( -2.000 -11.998 -2.646) 12.448 12.438 ( -15.880 -3.121 -0.835) 16.205 13.234 ( 2.780 -5.773 -1.132) 6.507 14.766 ( 4.876 6.650 -0.596) 8.268 15.049 ( 8.185 10.228 5.976) 14.399 16.280 ( -2.884 -1.441 -5.490) 6.367 16.614 ( -1.233 -5.461 -10.466) 11.870 ======================= 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| 1.628 ( 0.966 3.270 1.007) 3.556 1.922 ( 0.814 -0.574 7.235) 7.303 2.131 ( -10.653 -6.165 3.136) 12.701 2.386 ( -6.128 0.884 -3.072) 6.912 2.812 ( -2.209 6.264 4.745) 8.163 3.297 ( 3.422 3.926 -4.721) 7.030 3.918 ( 6.036 2.631 -12.073) 13.752 4.066 ( 6.594 -2.160 -8.075) 10.647 5.045 ( -0.597 -7.990 0.519) 8.030 5.595 ( -4.845 -4.480 -8.672) 10.897 5.771 ( 7.986 -0.695 -6.808) 10.517 5.994 ( 9.751 3.332 0.105) 10.305 6.240 ( -17.751 5.582 -8.631) 20.512 6.711 ( -3.931 -1.477 1.402) 4.427 7.007 ( -2.744 7.726 11.564) 14.176 7.728 ( -5.357 3.545 4.323) 7.743 8.081 ( 6.650 13.327 4.582) 15.583 8.511 ( -3.099 -7.194 10.680) 13.244 9.258 ( 4.992 -6.858 -17.204) 19.182 9.963 ( -4.434 -3.565 1.942) 6.011 10.304 ( 3.296 -6.451 -8.663) 11.292 10.742 ( -3.981 -0.519 4.204) 5.813 11.209 ( 8.747 11.959 3.598) 15.247 11.829 ( -3.974 -15.901 -0.465) 16.397 12.281 ( 3.075 -3.289 0.894) 4.591 13.183 ( -0.918 -5.220 -2.527) 5.872 14.804 ( -2.638 2.598 -2.311) 4.364 15.393 ( 10.898 9.968 9.863) 17.760 16.143 ( -3.676 -0.241 -9.113) 9.829 16.545 ( 3.656 -0.828 -9.661) 10.363 ======================= 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| 1.631 ( -3.653 -2.234 -1.030) 4.404 1.810 ( -19.744 -6.084 6.608) 21.692 2.034 ( 7.090 -0.608 4.213) 8.269 2.315 ( -0.600 7.088 0.006) 7.114 2.977 ( 6.263 7.277 0.987) 9.652 3.443 ( 6.120 12.250 -3.121) 14.044 3.885 ( 4.924 -3.777 -18.701) 19.704 4.075 ( -2.914 -1.916 3.469) 4.919 5.018 ( 6.330 -4.745 -4.206) 8.960 5.576 ( 4.654 8.399 -3.768) 10.315 5.821 ( 4.528 -3.686 -5.667) 8.136 6.015 ( -9.079 6.466 -5.466) 12.414 6.168 ( 9.972 4.669 -1.406) 11.101 6.677 ( -0.030 0.251 1.232) 1.258 7.122 ( -5.636 10.279 12.134) 16.872 7.677 ( -5.781 -1.350 6.188) 8.575 8.338 ( 5.104 11.701 4.558) 13.555 8.503 ( 2.568 -6.666 10.076) 12.352 9.077 ( 5.640 -13.342 -36.036) 38.838 9.859 ( -6.568 1.946 5.892) 9.035 10.231 ( 1.187 -5.480 -9.412) 10.956 10.611 ( -11.566 -3.879 4.919) 13.154 11.399 ( -5.002 0.454 5.029) 7.107 11.750 ( 8.784 5.187 1.025) 10.253 12.425 ( 14.008 -5.568 5.227) 15.955 13.078 ( -2.063 -5.820 -4.323) 7.538 14.686 ( -11.824 -2.049 1.576) 12.103 15.666 ( 7.688 4.375 0.587) 8.865 16.137 ( 5.258 7.894 -3.067) 9.969 16.545 ( 3.371 1.006 -10.403) 10.981 ======================= 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| 1.378 ( 3.113 7.722 11.551) 14.239 1.571 ( -0.553 3.130 15.110) 15.440 1.947 ( -6.955 8.999 3.371) 11.863 2.839 ( 5.781 -1.754 -10.268) 11.914 3.003 ( -8.939 -9.970 0.839) 13.417 3.485 ( 2.594 -4.567 -0.864) 5.323 3.610 ( 7.429 -0.560 4.524) 8.716 4.117 ( -6.471 -0.919 -7.584) 10.012 5.059 ( -5.249 4.290 -1.390) 6.920 5.507 ( -2.261 3.796 -6.068) 7.506 6.232 ( 6.117 -12.795 -10.936) 17.909 6.398 ( 3.653 -12.347 -0.197) 12.877 6.910 ( 2.081 -2.868 0.001) 3.544 7.026 ( -1.295 -1.310 5.855) 6.138 7.260 ( -1.552 12.244 -15.729) 19.994 7.538 ( -12.011 -17.474 -2.348) 21.333 7.889 ( 16.252 8.569 -13.223) 22.637 8.370 ( 16.419 -1.209 -0.706) 16.479 9.380 ( -1.793 -2.817 6.300) 7.130 9.572 ( 3.623 -4.443 19.459) 20.286 10.306 ( -5.452 13.289 -7.353) 16.136 10.677 ( -9.341 7.120 1.420) 11.831 11.171 ( -12.490 -45.012 -1.832) 46.749 12.210 ( 23.551 9.454 -0.144) 25.378 12.872 ( 7.722 -7.242 8.136) 13.352 13.308 ( -7.808 -3.315 -0.930) 8.533 14.014 ( -9.686 24.409 13.977) 29.748 14.948 ( -4.122 13.344 -11.480) 18.079 16.317 ( 0.048 -2.767 2.108) 3.479 16.979 ( 3.073 -12.636 -7.743) 15.135 ======================= 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| 1.623 ( 5.574 7.477 11.652) 14.925 1.675 ( -0.983 2.317 9.778) 10.097 1.975 ( -2.905 10.809 1.436) 11.284 2.732 ( -4.983 -4.293 -11.566) 13.305 2.923 ( 6.391 -5.277 3.000) 8.814 3.483 ( 3.558 -5.420 -1.274) 6.608 3.715 ( 4.409 -5.815 2.032) 7.575 3.954 ( -5.557 -1.148 -5.763) 8.088 5.036 ( 0.751 2.571 -0.048) 2.678 5.485 ( -3.397 6.402 -1.370) 7.375 6.234 ( 13.620 -12.210 -5.050) 18.976 6.318 ( 2.610 -14.898 -4.476) 15.773 6.613 ( -14.505 -25.781 -5.995) 30.183 6.956 ( -4.083 -0.007 -0.933) 4.189 7.247 ( -4.799 13.942 -9.384) 17.477 7.390 ( -3.917 3.697 8.911) 10.413 7.945 ( -0.307 3.519 -8.909) 9.584 8.796 ( 26.756 7.984 -11.870) 30.340 9.293 ( -3.173 -7.783 2.956) 8.909 9.798 ( 4.208 -5.559 23.376) 24.393 10.201 ( -11.860 6.404 -1.571) 13.569 10.595 ( -4.999 -33.436 5.158) 34.198 10.691 ( -0.701 9.035 -2.729) 9.465 12.456 ( 2.969 -1.218 -8.061) 8.676 12.969 ( 5.738 -6.533 7.059) 11.200 13.146 ( -5.795 -4.685 1.079) 7.529 14.247 ( -1.144 21.810 12.625) 25.226 14.950 ( -2.168 13.393 -12.469) 18.427 16.303 ( 0.403 -3.941 2.161) 4.513 16.833 ( 1.881 -15.166 -6.644) 16.664 ======================= 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| 1.697 ( -2.240 0.487 2.370) 3.298 1.839 ( 1.619 5.872 14.496) 15.723 2.077 ( 2.303 11.559 -1.815) 11.925 2.547 ( -3.996 -1.958 -11.568) 12.394 3.021 ( 5.727 -4.551 4.816) 8.758 3.469 ( 0.238 -5.004 0.061) 5.010 3.670 ( 6.242 -15.522 -4.410) 17.302 3.840 ( -5.103 3.592 -5.303) 8.190 5.165 ( 8.617 3.727 2.611) 9.745 5.489 ( -4.141 6.164 2.322) 7.780 5.979 ( -9.189 -23.018 -5.560) 25.400 6.203 ( -9.267 -10.575 -8.365) 16.361 6.379 ( 16.306 -12.069 -1.081) 20.315 6.855 ( -4.379 -0.579 -2.745) 5.201 7.246 ( -6.829 8.039 -2.802) 10.913 7.458 ( 4.088 5.162 5.398) 8.515 7.956 ( -3.376 12.445 -1.565) 12.990 9.062 ( 2.693 0.210 -12.841) 13.122 9.214 ( 9.251 -11.168 -3.382) 14.891 9.810 ( -10.233 -0.488 18.335) 21.003 10.078 ( 1.918 -22.226 12.051) 25.356 10.521 ( 5.181 4.600 7.227) 10.012 10.781 ( 4.329 8.114 -6.711) 11.384 12.271 ( -9.960 -5.183 -10.710) 15.517 12.959 ( -7.351 -12.475 -0.165) 14.481 13.063 ( 3.128 -1.165 5.318) 6.278 14.539 ( 5.132 13.956 10.213) 18.039 14.968 ( -1.136 13.260 -9.387) 16.286 16.286 ( 0.839 -3.624 0.592) 3.767 16.663 ( 0.371 -14.273 -7.314) 16.042 ======================= 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| 1.669 ( -1.943 0.105 0.346) 1.977 1.975 ( -2.459 4.390 11.830) 12.855 2.241 ( 4.221 7.072 1.133) 8.313 2.415 ( -1.866 3.593 -10.459) 11.215 3.018 ( -3.374 -7.832 4.370) 9.583 3.375 ( -4.027 -5.353 0.844) 6.752 3.652 ( 12.715 -12.889 -9.772) 20.574 3.800 ( -0.309 7.121 -4.791) 8.589 5.258 ( -6.321 -0.362 0.955) 6.403 5.519 ( 6.309 -4.766 3.493) 8.644 5.757 ( 0.920 -0.476 -2.851) 3.033 5.881 ( -10.124 -5.175 -9.465) 14.794 6.508 ( 9.035 -7.056 0.276) 11.467 6.786 ( -1.229 -1.980 -0.868) 2.487 7.140 ( -9.155 4.459 1.768) 10.336 7.715 ( 13.869 6.033 4.691) 15.835 8.007 ( -8.270 17.153 -0.291) 19.045 8.866 ( -12.325 -5.927 0.898) 13.706 9.154 ( 3.169 -12.564 -15.361) 20.096 9.873 ( 3.600 -1.100 13.369) 13.889 10.030 ( 7.790 -19.668 9.021) 22.998 10.739 ( 4.625 8.759 5.120) 11.151 10.917 ( 6.707 11.211 -5.282) 14.091 11.961 ( -8.950 -10.558 -7.197) 15.600 12.629 ( -15.028 -12.420 -1.534) 19.556 13.133 ( 3.360 -3.248 2.657) 5.376 14.771 ( 4.029 9.179 -0.139) 10.025 15.107 ( 4.485 14.804 5.012) 16.260 16.251 ( -0.721 -4.659 -2.553) 5.362 16.486 ( 0.072 -9.531 -8.456) 12.742 ======================= 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| 1.647 ( -0.462 -0.732 -0.183) 0.885 1.999 ( -4.735 1.245 6.699) 8.297 2.235 ( -4.619 -2.898 0.703) 5.497 2.464 ( -0.028 5.030 -1.013) 5.131 2.902 ( -3.361 -2.218 1.860) 4.436 3.322 ( -0.725 6.056 0.283) 6.106 3.645 ( 8.542 -8.346 -14.459) 18.754 3.928 ( 8.660 6.018 -0.490) 10.557 5.084 ( -9.697 -4.381 -0.760) 10.668 5.523 ( 2.072 -7.679 -0.395) 7.963 5.726 ( -1.815 9.530 -8.184) 12.692 5.885 ( 7.567 2.823 2.000) 8.320 6.468 ( -9.406 2.497 -6.531) 11.720 6.745 ( -1.356 -3.677 1.901) 4.356 7.177 ( 2.408 6.266 13.890) 15.427 7.945 ( -8.366 6.793 2.844) 11.146 8.073 ( 9.433 12.025 -0.629) 15.297 8.626 ( -10.466 -6.006 5.935) 13.447 8.933 ( 1.180 -13.620 -21.497) 25.476 9.976 ( 3.076 -6.464 6.122) 9.420 10.042 ( 8.271 -11.906 -1.347) 14.559 10.865 ( -2.110 6.265 3.511) 7.486 11.171 ( 10.812 13.673 -0.312) 17.435 11.715 ( -2.675 -14.422 0.462) 14.675 12.275 ( -9.641 -9.799 -2.173) 13.918 13.128 ( -0.200 -5.680 0.774) 5.736 14.882 ( -0.492 10.014 -1.675) 10.165 15.410 ( 7.691 11.307 9.539) 16.673 16.118 ( -2.799 -5.442 -7.394) 9.597 16.415 ( 3.357 -1.770 -6.524) 7.547 ======================= 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| 1.631 ( -0.030 -1.332 -1.322) 1.877 1.975 ( -0.027 -3.349 4.000) 5.217 2.070 ( -12.059 -5.563 5.134) 14.238 2.470 ( -4.402 8.446 3.626) 10.191 2.893 ( 3.791 -2.406 -2.966) 5.381 3.503 ( 5.325 18.855 -0.430) 19.597 3.606 ( 7.107 -4.697 -14.527) 16.841 4.118 ( 3.478 4.459 3.390) 6.593 4.879 ( -1.817 -9.778 -2.433) 10.239 5.576 ( 2.943 9.050 -5.306) 10.895 5.752 ( 1.653 4.243 0.092) 4.554 6.082 ( 8.073 8.156 1.394) 11.560 6.232 ( -14.397 3.400 -5.299) 15.713 6.693 ( -1.856 -2.793 1.063) 3.518 7.423 ( -1.825 12.762 17.023) 21.353 7.817 ( -7.565 -3.442 3.515) 9.024 8.288 ( 5.476 0.252 0.118) 5.483 8.536 ( 0.719 -2.120 -4.413) 4.948 8.658 ( -0.123 -6.735 -18.738) 19.912 9.944 ( -0.728 -7.027 3.645) 7.949 10.031 ( 4.050 -7.246 -8.756) 12.066 10.839 ( -9.490 3.726 4.252) 11.046 11.429 ( 2.022 -2.768 4.154) 5.386 11.638 ( 8.776 2.251 -0.663) 9.084 12.188 ( 8.803 -5.634 1.688) 10.587 13.039 ( -2.764 -6.338 -0.626) 6.943 14.897 ( -8.908 6.830 1.774) 11.364 15.602 ( 2.948 0.419 -1.033) 3.152 16.101 ( 6.228 7.343 -1.494) 9.744 16.436 ( 3.921 1.411 -6.350) 7.595 ======================= 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| 1.473 ( 0.429 5.790 5.556) 8.036 1.716 ( -2.301 3.497 12.641) 13.316 2.070 ( -1.109 4.055 -0.677) 4.258 2.632 ( 7.726 -2.117 -9.454) 12.392 3.207 ( -18.382 -4.831 4.643) 19.565 3.308 ( 7.452 -11.842 2.758) 14.260 3.537 ( 7.436 4.083 -1.274) 8.578 4.112 ( -4.699 -3.326 -12.500) 13.762 5.233 ( -10.537 0.038 2.744) 10.888 5.589 ( -2.672 10.895 -4.919) 12.249 5.933 ( 6.185 -9.174 -12.858) 16.963 6.197 ( 4.095 -14.306 -0.887) 14.907 6.825 ( 1.208 -7.823 -1.349) 8.030 6.933 ( 9.081 -5.866 -10.715) 15.221 7.175 ( 10.373 4.592 6.633) 13.141 7.552 ( 8.303 7.454 1.015) 11.204 7.742 ( -4.150 7.405 -14.110) 16.466 8.248 ( 1.443 -2.904 10.407) 10.901 9.385 ( 4.353 -4.993 15.299) 16.672 9.625 ( -7.367 -9.623 8.055) 14.552 10.491 ( -5.841 15.942 -6.529) 18.190 10.798 ( -7.187 -17.507 -2.986) 19.158 11.033 ( -5.842 -8.223 -4.304) 10.967 11.993 ( 10.727 7.088 0.294) 12.861 12.676 ( 12.689 -9.248 6.961) 17.175 13.343 ( -2.796 -4.326 -3.286) 6.110 14.490 ( -11.604 17.510 11.326) 23.865 15.036 ( -1.730 12.359 -10.537) 16.333 16.290 ( 0.556 -4.109 0.233) 4.153 16.740 ( 2.965 -12.703 -9.587) 16.188 ======================= 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| 1.617 ( 4.995 3.677 3.699) 7.222 1.803 ( -1.192 4.495 11.076) 12.012 2.096 ( -1.157 6.396 -1.082) 6.589 2.662 ( 3.509 1.003 -14.770) 15.215 2.940 ( -10.568 -6.016 14.158) 18.663 3.308 ( 6.109 -12.262 1.446) 13.776 3.630 ( 1.737 -4.290 -1.419) 4.841 3.961 ( -1.875 1.124 -8.996) 9.258 5.088 ( -5.321 -2.477 1.748) 6.124 5.613 ( -2.506 8.697 -1.262) 9.138 5.914 ( 8.197 -8.448 -4.777) 12.704 6.093 ( 1.706 -15.779 -4.582) 16.519 6.541 ( -8.262 -19.871 -5.071) 22.109 6.949 ( 1.985 -2.482 -0.425) 3.207 7.390 ( -3.662 10.373 -1.942) 11.170 7.573 ( -5.866 5.806 3.396) 8.925 7.862 ( 10.902 8.392 -10.085) 17.058 8.458 ( 14.755 6.484 0.554) 16.126 9.258 ( -4.983 -12.016 -2.213) 13.195 9.703 ( 6.389 -18.410 27.488) 33.695 10.394 ( -6.038 -18.787 4.076) 20.150 10.534 ( -5.208 15.956 -8.588) 18.854 10.863 ( -10.545 5.717 -1.662) 12.109 12.274 ( 13.365 3.169 -5.557) 14.817 12.789 ( 8.234 -15.538 5.587) 18.451 13.206 ( -5.127 -2.398 -1.601) 5.882 14.564 ( -6.328 14.207 7.734) 17.369 15.057 ( -3.565 15.602 -10.131) 18.941 16.266 ( 0.730 -5.335 2.675) 6.012 16.590 ( 2.889 -15.823 -6.894) 17.500 ======================= 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| 1.681 ( 1.304 -2.332 -1.357) 2.997 1.945 ( 2.494 6.523 10.625) 12.714 2.143 ( 0.541 6.261 -1.430) 6.445 2.544 ( -4.332 2.463 -14.173) 15.023 2.963 ( 2.946 -4.074 14.712) 15.548 3.320 ( 6.723 -9.987 2.380) 12.273 3.493 ( -3.470 -12.957 -4.147) 14.040 3.913 ( -3.006 3.933 -5.370) 7.303 5.096 ( 5.336 0.733 4.206) 6.834 5.620 ( -3.644 0.897 -1.813) 4.167 5.847 ( -2.252 -12.567 -4.593) 13.568 6.015 ( 10.469 -10.951 3.598) 15.571 6.231 ( -8.241 -9.345 -3.897) 13.055 6.898 ( -3.564 -3.204 -1.700) 5.085 7.320 ( -3.297 4.570 -7.104) 9.068 7.555 ( -5.736 3.199 2.109) 6.898 8.076 ( 5.776 15.083 -3.704) 16.570 8.732 ( 14.082 0.385 -6.621) 15.565 9.079 ( 0.358 -14.877 0.257) 14.884 9.718 ( 2.220 -28.458 30.356) 41.669 10.318 ( -4.349 0.265 4.006) 5.919 10.549 ( -4.654 17.786 -3.627) 18.739 10.812 ( -0.622 8.468 -2.205) 8.772 12.321 ( -5.635 -0.979 -7.157) 9.162 12.744 ( 7.464 -18.603 -2.232) 20.169 13.141 ( -3.084 -0.510 3.724) 4.862 14.656 ( -0.014 8.915 3.304) 9.507 15.098 ( -2.984 16.773 -5.629) 17.942 16.244 ( 0.451 -6.071 3.538) 7.041 16.445 ( 2.526 -14.588 -5.533) 15.806 ======================= 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| 1.654 ( 0.479 -2.296 -1.864) 2.996 2.105 ( 1.357 3.773 8.202) 9.129 2.217 ( 3.935 1.829 -0.701) 4.396 2.428 ( -2.934 6.908 -12.992) 15.004 3.054 ( -0.777 -3.375 10.368) 10.931 3.249 ( 3.859 -18.769 -4.232) 19.623 3.402 ( 2.996 -2.136 3.763) 5.263 3.865 ( -3.233 5.522 -4.126) 7.614 5.274 ( 7.969 -0.563 4.343) 9.093 5.483 ( -4.837 -5.641 0.976) 7.495 5.736 ( -3.494 1.350 -4.752) 6.050 5.927 ( -5.473 -10.073 -0.158) 11.465 6.245 ( 13.893 -3.074 4.548) 14.938 6.798 ( -3.022 -1.570 -2.293) 4.106 7.268 ( -2.572 0.059 -5.304) 5.895 7.582 ( 6.283 4.446 1.681) 7.879 8.235 ( 0.223 15.559 -9.951) 18.471 8.786 ( 0.914 -6.835 -10.153) 12.273 9.015 ( 2.611 -10.673 11.403) 15.835 9.708 ( 3.682 -24.057 26.364) 35.880 10.150 ( -12.727 0.847 -1.573) 12.852 10.735 ( 6.402 14.355 -1.913) 15.833 10.939 ( 3.558 11.923 0.033) 12.443 12.036 ( -14.593 -7.528 -5.634) 17.360 12.625 ( -2.126 -13.831 -4.995) 14.859 13.120 ( -1.367 -1.928 4.554) 5.131 14.790 ( 4.370 9.023 -0.339) 10.032 15.231 ( 1.754 15.485 2.618) 15.803 16.184 ( -0.620 -11.203 0.522) 11.233 16.338 ( 1.691 -6.011 -3.946) 7.386 ======================= 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| 1.629 ( -0.148 -2.288 -0.586) 2.367 2.134 ( -4.846 0.379 1.263) 5.022 2.225 ( 0.838 -4.973 -2.183) 5.495 2.467 ( 4.290 7.436 -3.270) 9.186 2.950 ( -5.162 -5.707 -0.190) 7.698 3.297 ( 10.280 -2.566 5.657) 12.011 3.442 ( 1.043 -0.585 0.763) 1.418 3.892 ( 2.110 8.414 -2.823) 9.123 5.197 ( -10.372 -9.759 -2.969) 14.548 5.453 ( 2.096 1.583 3.494) 4.371 5.784 ( 3.038 9.184 -4.786) 10.792 5.835 ( 1.625 -0.815 5.193) 5.502 6.483 ( 8.337 0.223 4.496) 9.474 6.730 ( -1.760 -1.860 -2.366) 3.486 7.219 ( 2.585 -0.819 2.096) 3.427 7.849 ( 15.897 5.137 0.993) 16.736 8.248 ( -5.950 12.648 -11.870) 18.338 8.563 ( -4.716 -12.370 -13.665) 19.026 8.984 ( -11.710 -2.072 14.613) 18.840 9.725 ( 7.579 -20.507 15.812) 26.981 9.984 ( -2.946 -3.553 -3.629) 5.872 10.943 ( 3.411 10.404 -0.152) 10.950 11.142 ( 6.958 13.505 -1.656) 15.282 11.704 ( -10.202 -10.696 -0.246) 14.783 12.349 ( -11.727 -9.031 -3.979) 15.327 13.099 ( -0.958 -4.505 2.487) 5.234 14.963 ( 3.896 11.818 -0.201) 12.445 15.468 ( 5.165 10.623 7.185) 13.825 16.034 ( -1.176 -9.520 -4.388) 10.549 16.329 ( 1.974 -0.206 -1.382) 2.418 ======================= 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| 1.603 ( 0.485 -1.597 -0.431) 1.724 2.013 ( -5.849 -3.109 -0.772) 6.669 2.145 ( -2.321 -9.260 0.625) 9.567 2.598 ( 2.195 8.608 2.011) 9.109 2.827 ( -2.782 -5.033 -1.917) 6.062 3.429 ( 1.094 -1.843 -2.272) 3.123 3.568 ( 9.518 14.403 2.274) 17.413 4.075 ( 9.671 8.585 2.310) 13.136 4.869 ( -11.647 -11.334 -4.797) 16.944 5.564 ( 3.115 5.187 -2.938) 6.726 5.822 ( 0.910 8.990 5.330) 10.491 6.056 ( 7.807 9.664 2.746) 12.723 6.466 ( -11.469 4.616 -3.554) 12.864 6.679 ( -0.112 -5.248 0.409) 5.265 7.439 ( 17.652 -2.900 11.226) 21.119 7.979 ( -10.476 -2.597 -0.696) 10.816 8.190 ( -3.641 0.751 -14.354) 14.827 8.301 ( 4.009 -5.361 -10.140) 12.151 8.861 ( -11.490 8.342 11.521) 18.285 9.759 ( 6.269 -17.987 8.986) 21.061 9.928 ( 3.085 1.033 -8.084) 8.714 11.007 ( -3.808 3.137 1.644) 5.201 11.405 ( 7.269 11.021 -0.985) 13.239 11.514 ( 0.126 -8.481 0.902) 8.530 12.101 ( -4.954 -4.418 -1.319) 6.768 13.034 ( -2.366 -4.335 1.036) 5.047 15.112 ( -2.298 11.705 2.814) 12.256 15.551 ( -1.920 -6.648 -1.407) 7.061 16.055 ( 7.849 8.860 0.398) 11.843 16.366 ( 2.571 1.645 -1.460) 3.383 ======================= 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| 1.550 ( -0.883 4.107 2.077) 4.687 1.893 ( -4.236 3.928 11.308) 12.699 2.102 ( 1.804 1.005 3.137) 3.756 2.439 ( 5.976 -0.280 -6.997) 9.205 3.054 ( 11.282 -9.275 2.669) 14.847 3.395 ( 5.992 -0.095 -1.856) 6.274 3.545 ( -16.863 2.513 -1.566) 17.121 4.063 ( -4.372 -3.485 -14.018) 15.092 5.328 ( -2.176 -9.985 1.301) 10.302 5.718 ( 1.274 -0.526 -8.838) 8.945 5.739 ( -4.940 8.904 -9.883) 14.190 6.034 ( 0.384 -6.254 -0.087) 6.266 6.570 ( 13.016 -1.371 -11.126) 17.178 6.744 ( 7.094 -1.466 -0.242) 7.248 7.037 ( 13.556 2.790 7.469) 15.726 7.603 ( -1.453 2.838 7.620) 8.261 7.815 ( -3.009 13.030 -7.549) 15.356 8.345 ( -6.195 -4.781 11.837) 14.190 9.377 ( 5.040 -3.512 18.524) 19.516 9.708 ( -11.380 -12.900 -0.720) 17.217 10.575 ( 3.408 -17.900 -11.038) 21.305 10.725 ( -7.421 13.340 -4.115) 15.811 11.070 ( -0.792 5.156 -2.437) 5.758 11.980 ( -4.967 -3.644 -1.310) 6.298 12.381 ( 14.761 -8.305 5.243) 17.730 13.280 ( 1.469 -5.688 -3.303) 6.739 14.836 ( -6.494 11.275 0.194) 13.013 15.177 ( -4.534 15.359 2.272) 16.175 16.196 ( 3.440 -7.415 -3.221) 8.786 16.553 ( -1.582 -7.134 -10.308) 12.635 ======================= 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| 1.610 ( 1.797 1.951 2.494) 3.640 1.946 ( -2.275 4.239 9.896) 11.003 2.168 ( -0.697 4.903 1.374) 5.140 2.509 ( 5.951 3.242 -9.072) 11.324 3.080 ( 4.325 -13.206 1.384) 13.965 3.229 ( -14.111 -3.082 9.724) 17.412 3.525 ( 3.332 -3.353 -4.517) 6.538 3.938 ( 0.018 5.299 -10.921) 12.138 5.140 ( -5.668 -12.312 4.169) 14.180 5.645 ( 1.358 -2.096 -6.059) 6.554 5.758 ( 0.503 4.078 -9.040) 9.930 5.960 ( -1.157 -5.946 0.227) 6.062 6.462 ( -4.505 -10.641 -2.772) 11.883 6.868 ( 5.153 -0.945 -1.252) 5.386 7.449 ( 14.751 12.199 1.449) 19.197 7.702 ( 2.074 4.928 -2.005) 5.710 7.778 ( -7.832 10.384 -0.937) 13.040 8.389 ( 5.202 0.281 10.085) 11.352 9.239 ( -11.348 -13.825 -6.041) 18.879 9.647 ( 3.751 -13.120 24.565) 28.100 10.299 ( -3.237 -16.017 -2.468) 16.526 10.746 ( -4.333 18.145 -4.331) 19.151 11.049 ( -6.226 5.148 -3.780) 8.920 12.020 ( 13.072 0.198 -6.678) 14.680 12.494 ( 9.457 -18.753 4.739) 21.531 13.222 ( -0.509 -3.179 -1.722) 3.652 14.814 ( -7.653 9.806 -2.126) 12.620 15.257 ( -5.707 16.894 -0.727) 17.847 16.179 ( 4.400 -10.032 2.094) 11.153 16.393 ( -0.895 -7.903 -6.737) 10.423 ======================= 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| 1.645 ( 0.287 -0.852 -0.125) 0.908 2.032 ( 0.692 3.433 7.958) 8.694 2.177 ( -1.872 2.005 -1.399) 3.080 2.524 ( -0.774 5.908 -13.167) 14.453 2.991 ( -0.186 -9.256 6.377) 11.242 3.204 ( 0.815 -6.135 13.342) 14.708 3.411 ( -2.505 -8.425 -3.003) 9.288 3.960 ( -0.897 8.144 -6.775) 10.631 5.040 ( 2.033 -6.586 5.274) 8.679 5.582 ( -2.429 -6.838 -4.831) 8.718 5.715 ( 4.363 -4.609 -2.266) 6.739 5.940 ( 0.178 2.759 0.501) 2.810 6.260 ( -7.760 -8.398 -0.061) 11.435 6.877 ( 0.262 -4.304 -1.165) 4.467 7.433 ( -11.995 3.017 -10.786) 16.411 7.704 ( -5.908 3.240 3.324) 7.513 8.000 ( 11.961 14.630 -5.702) 19.739 8.579 ( 8.942 -2.101 11.105) 14.412 8.930 ( -2.592 -15.263 -2.128) 15.627 9.705 ( -0.718 -14.457 27.068) 30.695 10.249 ( 5.770 -2.044 -0.865) 6.182 10.864 ( -2.400 20.663 -1.763) 20.876 10.917 ( -10.175 4.088 -3.740) 11.586 12.245 ( 15.914 2.653 -8.520) 18.245 12.395 ( 1.954 -24.477 1.029) 24.576 13.187 ( -1.092 -1.082 0.797) 1.731 14.764 ( -4.414 6.779 -3.103) 8.665 15.306 ( -5.590 15.654 -1.793) 16.718 16.151 ( 3.077 -13.947 3.474) 14.699 16.303 ( -0.147 -2.935 -0.940) 3.085 ======================= 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| 1.624 ( -0.372 0.015 -1.707) 1.747 2.128 ( 3.089 0.021 4.445) 5.413 2.146 ( 0.772 -3.097 -2.830) 4.265 2.460 ( -2.707 6.151 -11.390) 13.225 2.970 ( 3.139 -15.256 0.595) 15.587 3.110 ( -2.149 -4.674 3.157) 6.035 3.451 ( 0.777 2.782 15.116) 15.389 3.956 ( -3.461 6.615 -2.704) 7.940 5.128 ( 8.292 -4.816 4.748) 10.700 5.469 ( 0.261 -2.283 -1.473) 2.729 5.772 ( 3.692 -2.336 2.934) 5.262 5.930 ( -8.324 -7.087 4.788) 11.935 6.108 ( 3.784 2.001 -3.426) 5.483 6.803 ( -1.954 -3.846 -1.971) 4.743 7.220 ( -3.868 -1.791 -10.157) 11.015 7.646 ( -4.865 4.410 1.273) 6.689 8.182 ( 4.525 10.783 -16.284) 20.048 8.743 ( -1.156 -2.511 -1.826) 3.313 8.890 ( 12.116 -10.932 22.416) 27.727 9.731 ( -3.299 -12.433 27.708) 30.548 10.236 ( -4.642 -4.352 -8.282) 10.444 10.838 ( -1.602 9.306 -1.052) 9.501 11.026 ( -0.075 17.944 -1.624) 18.017 12.119 ( -7.988 -20.499 -0.002) 22.000 12.433 ( 8.670 2.140 -8.260) 12.165 13.159 ( -1.953 -2.660 2.899) 4.392 14.793 ( 2.876 6.296 -1.992) 7.203 15.377 ( -1.326 13.986 -0.471) 14.057 16.060 ( 0.287 -13.419 1.882) 13.553 16.304 ( -0.127 0.186 3.830) 3.837 ======================= 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| 1.618 ( -0.445 0.203 -0.292) 0.570 2.092 ( 2.227 -8.744 -4.342) 10.014 2.166 ( 0.294 -1.984 -1.967) 2.809 2.454 ( 3.096 7.717 -5.831) 10.156 2.822 ( 4.027 -15.853 -4.067) 16.855 3.219 ( 4.945 5.454 9.732) 12.203 3.552 ( -4.724 3.428 12.801) 14.069 3.967 ( -1.756 8.875 -1.214) 9.128 5.167 ( -0.368 -11.066 2.663) 11.387 5.508 ( -0.352 2.477 1.070) 2.721 5.764 ( 1.905 5.605 -1.504) 6.108 5.861 ( 1.119 -1.724 9.718) 9.932 6.320 ( 14.461 2.854 3.651) 15.186 6.732 ( -1.608 -0.839 -3.788) 4.199 7.113 ( 1.620 -4.189 -9.475) 10.486 7.716 ( 6.842 6.368 1.104) 9.412 8.191 ( 2.101 3.877 -17.017) 17.579 8.602 ( -8.176 -1.432 -4.376) 9.383 9.170 ( 5.657 -3.637 24.546) 25.451 9.691 ( -8.858 -12.710 21.926) 26.847 9.967 ( -6.919 -7.662 -9.802) 14.236 10.964 ( 4.761 7.290 -1.818) 8.895 11.179 ( 1.874 14.587 -3.915) 15.219 11.783 ( -10.438 -15.074 2.295) 18.478 12.432 ( -6.035 2.719 -5.896) 8.865 13.108 ( -2.524 -3.703 2.568) 5.165 14.943 ( 8.381 5.565 -1.098) 10.120 15.530 ( 3.389 10.268 2.245) 11.044 15.952 ( -1.117 -6.336 0.779) 6.481 16.339 ( -0.702 1.544 5.493) 5.749 ======================= 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| 1.590 ( -1.182 -1.953 0.286) 2.301 2.009 ( 3.497 -11.425 -4.432) 12.744 2.073 ( -5.670 -1.220 -4.535) 7.362 2.615 ( 4.922 10.048 -0.764) 11.215 2.762 ( 5.487 -10.092 -1.376) 11.569 3.442 ( 3.991 1.730 10.135) 11.029 3.568 ( -0.580 7.246 5.123) 8.893 4.073 ( 3.191 11.685 0.031) 12.113 4.955 ( -11.373 -8.665 -0.315) 14.301 5.547 ( 1.657 2.676 -0.313) 3.163 5.923 ( 4.490 10.030 3.762) 11.615 6.022 ( 7.525 5.277 6.932) 11.512 6.575 ( 6.578 0.170 4.698) 8.085 6.655 ( -5.592 3.336 -6.795) 9.411 7.122 ( 13.840 -7.130 -1.867) 15.680 7.917 ( 6.699 3.506 -9.351) 12.025 8.082 ( -0.748 -11.282 -7.251) 13.432 8.452 ( -10.632 12.254 -0.320) 16.227 9.215 ( -14.100 1.176 13.567) 19.602 9.588 ( 4.459 -12.061 10.999) 16.922 9.834 ( 0.788 -4.910 -1.541) 5.206 11.047 ( 1.599 0.737 -2.330) 2.920 11.317 ( 6.763 5.292 -7.122) 11.157 11.569 ( -7.145 -2.173 5.422) 9.229 12.242 ( -13.728 2.135 -2.569) 14.129 13.047 ( -2.264 -2.127 0.795) 3.207 15.122 ( 9.567 -0.095 -2.016) 9.778 15.587 ( -6.229 -0.516 3.218) 7.030 16.025 ( 7.268 11.219 0.674) 13.384 16.380 ( -0.820 2.143 5.468) 5.930 ======================= 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| 1.611 ( -1.753 1.575 0.309) 2.377 1.963 ( 8.783 -1.600 7.472) 11.642 2.091 ( -0.209 -3.459 5.091) 6.158 2.408 ( -3.140 7.924 -1.130) 8.599 2.775 ( 15.786 -2.767 0.905) 16.053 3.361 ( -2.488 6.232 -3.946) 7.785 3.793 ( -13.174 -2.500 -8.439) 15.844 4.022 ( -4.547 -0.754 -8.453) 9.628 5.204 ( 2.622 -10.037 -0.866) 10.410 5.611 ( 0.100 -3.198 -8.985) 9.538 5.816 ( 0.541 7.292 -7.783) 10.679 6.033 ( -2.553 0.447 -4.613) 5.291 6.418 ( 7.498 18.473 -6.347) 20.922 6.627 ( 1.789 -4.882 5.012) 7.222 6.933 ( 8.041 1.812 8.193) 11.622 7.687 ( -0.623 3.656 5.195) 6.383 7.984 ( -3.119 8.160 2.589) 9.111 8.480 ( -7.899 -4.049 6.636) 11.082 9.408 ( 2.486 1.303 12.828) 13.132 9.714 ( -8.030 -17.435 -3.712) 19.551 10.206 ( 9.975 -11.038 -19.245) 24.325 10.920 ( -1.093 8.330 0.998) 8.461 11.129 ( -2.696 4.170 1.798) 5.281 11.874 ( 4.508 -13.698 -6.202) 15.698 12.305 ( -6.978 -0.288 6.161) 9.313 13.162 ( 2.467 -6.190 -2.703) 7.191 14.945 ( 3.796 8.647 -1.024) 9.498 15.470 ( -7.639 12.594 7.132) 16.365 16.034 ( 1.197 -5.339 -7.295) 9.119 16.508 ( -5.019 -2.077 -9.889) 11.283 ======================= 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| 1.613 ( 0.661 -0.152 0.914) 1.138 2.058 ( -1.260 -1.854 7.053) 7.401 2.172 ( 7.001 0.382 3.242) 7.725 2.457 ( 0.415 8.555 -1.813) 8.755 2.925 ( 4.288 -6.716 1.453) 8.100 3.394 ( -0.651 3.279 -1.607) 3.709 3.503 ( -9.312 -2.281 -4.827) 10.734 3.935 ( -1.424 7.433 -7.783) 10.856 5.088 ( -1.333 -16.711 6.155) 17.858 5.553 ( 0.960 0.683 -7.452) 7.545 5.803 ( -4.979 5.189 -6.309) 9.567 5.965 ( -2.197 2.228 -4.273) 5.296 6.492 ( -5.991 -0.429 1.563) 6.207 6.730 ( 8.865 -0.240 -1.888) 9.067 7.264 ( 17.452 12.293 -0.002) 21.347 7.783 ( 0.086 6.834 8.632) 11.011 8.048 ( -7.818 12.749 0.465) 14.963 8.351 ( 0.315 -11.416 8.895) 14.475 9.259 ( -12.376 -13.615 -11.443) 21.667 9.645 ( 4.169 -5.174 20.441) 21.494 10.115 ( 5.469 -10.863 -11.611) 16.815 10.958 ( -4.098 12.749 -2.386) 13.602 11.139 ( -2.938 6.332 -0.917) 7.040 11.767 ( 5.834 -10.823 -5.897) 13.636 12.259 ( 2.522 -11.886 4.605) 12.994 13.141 ( 3.214 -5.017 -1.442) 6.130 15.005 ( -6.109 10.256 -3.875) 12.551 15.514 ( -5.493 10.833 2.804) 12.466 15.995 ( 4.416 -7.083 -1.063) 8.414 16.363 ( -3.454 -1.110 -4.738) 5.968 ======================= 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| 1.632 ( 1.096 -1.130 1.156) 1.953 2.061 ( 0.654 -2.641 1.658) 3.186 2.231 ( -2.163 0.289 -0.426) 2.223 2.520 ( 0.213 4.486 -5.443) 7.056 2.896 ( 1.784 -6.618 1.988) 7.136 3.316 ( -8.572 -0.726 6.151) 10.576 3.410 ( -1.450 0.436 3.179) 3.521 4.004 ( 1.593 12.079 -7.637) 14.379 4.980 ( 0.280 -11.245 7.877) 13.733 5.532 ( 0.364 -2.939 -1.905) 3.521 5.691 ( -5.770 3.095 -4.180) 7.768 5.960 ( -0.064 5.086 -3.226) 6.023 6.344 ( -9.075 -6.386 3.644) 11.680 6.796 ( 3.290 -4.161 -1.813) 5.606 7.523 ( -0.755 10.145 -18.925) 21.486 7.870 ( -7.493 0.766 8.470) 11.335 8.023 ( 1.499 12.221 7.323) 14.326 8.446 ( 10.512 -8.224 11.715) 17.759 8.855 ( -8.445 -13.983 -6.647) 17.636 9.790 ( 0.617 -2.999 20.809) 21.033 10.103 ( 7.896 -3.470 -4.044) 9.526 10.966 ( -3.557 3.401 -5.413) 7.315 11.169 ( -4.843 16.746 -0.257) 17.434 11.815 ( 15.849 -10.199 -8.322) 20.603 12.220 ( 4.266 -10.394 3.041) 11.639 13.144 ( 3.081 -4.340 -0.567) 5.352 14.913 ( -9.134 6.055 -4.606) 11.887 15.525 ( -5.132 9.128 -0.870) 10.508 16.006 ( 2.812 -6.067 3.250) 7.434 16.319 ( -1.037 1.276 1.962) 2.560 ======================= 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| 1.636 ( -0.461 0.303 0.260) 0.610 2.053 ( 1.773 -1.633 -4.611) 5.203 2.149 ( -3.055 -4.827 0.665) 5.751 2.436 ( -2.871 -6.370 -7.975) 10.603 2.885 ( -2.312 -1.026 -1.195) 2.797 3.188 ( -6.580 4.365 4.931) 9.310 3.564 ( 4.243 3.671 18.134) 18.982 4.058 ( -1.979 7.772 -3.456) 8.733 5.000 ( 5.391 -4.332 4.610) 8.311 5.467 ( -2.646 -2.807 2.924) 4.840 5.700 ( 3.682 3.491 1.066) 5.184 6.006 ( 0.677 3.492 0.340) 3.574 6.126 ( -9.735 -6.415 0.251) 11.661 6.760 ( 0.146 -4.861 -2.063) 5.283 7.279 ( -12.664 1.118 -14.211) 19.068 7.783 ( -6.655 0.894 -0.652) 6.747 8.192 ( -1.171 12.943 -6.645) 14.596 8.666 ( 3.665 -4.867 -4.292) 7.453 8.734 ( 13.905 -9.765 27.707) 32.502 9.872 ( -2.908 -4.797 19.333) 20.131 10.183 ( 3.125 -0.809 -3.366) 4.664 10.853 ( -1.885 -3.851 -5.143) 6.696 11.277 ( -5.154 21.627 -2.872) 22.418 11.855 ( 8.750 -20.207 -2.198) 22.130 12.317 ( 9.161 6.302 -2.854) 11.480 13.145 ( 1.794 -4.588 1.187) 5.068 14.810 ( -3.223 1.402 -3.032) 4.641 15.528 ( -3.224 9.355 -2.205) 10.138 16.001 ( -1.232 -3.057 4.556) 5.624 16.362 ( -0.205 2.302 7.164) 7.527 ======================= 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| 1.638 ( -0.511 0.961 0.145) 1.098 1.950 ( -2.198 -12.184 -6.689) 14.072 2.108 ( 2.258 -2.152 -1.603) 3.507 2.319 ( 5.584 -6.966 -2.556) 9.287 2.779 ( -8.499 6.129 -4.074) 11.242 3.288 ( 2.700 8.566 7.653) 11.800 3.758 ( -1.801 3.189 18.290) 18.653 4.070 ( -1.607 5.657 -0.916) 5.952 5.084 ( 3.668 -5.265 5.672) 8.564 5.495 ( 3.449 2.411 3.386) 5.401 5.841 ( -2.161 1.860 1.219) 3.101 5.880 ( -0.645 -1.302 7.809) 7.943 6.159 ( 8.970 6.156 -0.235) 10.882 6.705 ( -0.035 -2.021 -3.212) 3.795 7.047 ( -5.526 0.197 -11.841) 13.069 7.709 ( -0.203 1.294 -2.404) 2.738 8.173 ( -5.301 6.862 -9.718) 13.024 8.638 ( 0.935 0.488 -4.292) 4.419 9.119 ( 13.205 -5.183 28.534) 31.866 9.865 ( -2.382 -7.952 8.935) 12.196 10.040 ( -16.244 -2.697 1.466) 16.532 10.844 ( 8.540 -4.986 -4.165) 10.730 11.318 ( -6.038 11.991 -8.324) 15.796 11.753 ( -0.542 -11.811 4.619) 12.693 12.499 ( 3.174 10.244 -4.880) 11.783 13.125 ( -0.959 -4.063 2.721) 4.983 14.801 ( 5.801 -4.672 -2.653) 7.907 15.590 ( 1.105 9.951 -1.560) 10.133 15.986 ( -2.908 2.595 4.605) 6.033 16.437 ( -1.239 2.639 10.455) 10.854 ======================= 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| 1.599 ( -2.698 -4.919 0.235) 5.616 1.767 ( 4.772 -15.631 -7.681) 18.059 2.115 ( -1.212 3.180 -2.717) 4.355 2.460 ( 14.450 -4.527 2.629) 15.369 2.704 ( -5.349 10.071 -3.222) 11.850 3.480 ( 4.139 6.996 6.577) 10.456 3.780 ( -9.678 0.558 13.720) 16.800 4.131 ( 2.317 7.087 -1.499) 7.606 5.061 ( -5.535 -3.825 7.976) 10.435 5.576 ( -1.076 4.673 1.009) 4.901 5.851 ( 7.934 2.364 -0.357) 8.286 6.060 ( 4.195 6.530 8.389) 11.429 6.472 ( 13.556 7.814 6.878) 17.092 6.691 ( 1.618 3.208 -4.107) 5.456 6.900 ( -0.140 -3.849 -10.111) 10.820 7.783 ( 6.812 3.407 -6.496) 10.010 8.023 ( -6.877 -4.279 -4.207) 9.127 8.661 ( -0.857 10.118 -3.820) 10.849 9.421 ( 5.706 -1.308 21.434) 22.220 9.623 ( -15.930 -5.301 -9.756) 19.418 9.837 ( -7.924 -7.679 16.322) 19.702 10.910 ( 8.885 -6.216 -5.620) 12.214 11.226 ( -0.970 -2.568 -8.609) 9.036 11.714 ( -4.096 2.828 6.374) 8.087 12.501 ( -10.584 8.103 -2.731) 13.607 13.079 ( -2.397 -1.027 0.940) 2.772 14.845 ( 11.035 -12.625 -4.015) 17.242 15.704 ( 0.262 8.276 1.305) 8.382 16.060 ( 2.070 10.850 2.306) 11.284 16.501 ( -3.160 2.560 11.482) 12.181 ======================= 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| 1.373 ( 0.000 -0.000 16.573) 16.573 1.373 ( 0.000 -0.000 16.573) 16.573 1.717 ( 0.000 -0.000 15.020) 15.020 2.885 ( -0.000 0.000 -11.558) 11.558 3.302 ( 0.000 0.000 -4.408) 4.408 3.302 ( -0.000 0.000 -4.408) 4.408 3.911 ( 0.000 -0.000 4.711) 4.711 3.911 ( 0.000 -0.000 4.711) 4.711 4.936 ( -0.000 0.000 -4.786) 4.786 5.512 ( -0.000 0.000 -10.269) 10.269 6.647 ( -0.000 0.000 -9.368) 9.368 6.647 ( -0.000 0.000 -9.368) 9.368 6.738 ( 0.000 -0.000 5.487) 5.487 6.738 ( 0.000 -0.000 5.487) 5.487 7.147 ( 0.000 -0.000 2.596) 2.596 7.923 ( -0.000 0.000 -15.957) 15.957 7.923 ( -0.000 0.000 -15.957) 15.957 8.699 ( -0.000 0.000 -15.396) 15.396 9.356 ( 0.000 -0.000 8.445) 8.445 9.356 ( 0.000 -0.000 8.445) 8.445 10.300 ( 0.000 -0.000 4.239) 4.239 10.300 ( 0.000 -0.000 4.239) 4.239 12.320 ( 0.000 0.000 -1.292) 1.292 12.320 ( -0.000 0.000 -1.292) 1.292 13.060 ( 0.000 -0.000 15.915) 15.915 13.176 ( -0.000 0.000 1.691) 1.691 13.176 ( 0.000 -0.000 1.691) 1.691 14.669 ( 0.000 -0.000 4.523) 4.523 16.363 ( 0.000 -0.000 4.224) 4.224 17.204 ( -0.000 0.000 -8.513) 8.513 ======================= 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| 1.411 ( -2.680 1.707 12.862) 13.248 1.608 ( 5.457 1.582 14.269) 15.358 1.854 ( 5.491 1.947 7.185) 9.250 2.777 ( -2.232 -2.167 -13.614) 13.965 3.139 ( -2.461 -1.008 -0.366) 2.684 3.435 ( 4.692 4.852 -4.585) 8.160 3.782 ( -10.494 -2.661 7.192) 12.997 4.047 ( 5.509 0.045 -1.826) 5.804 4.975 ( 5.338 2.993 0.603) 6.150 5.418 ( -0.823 -1.718 -8.573) 8.782 6.426 ( -13.280 3.217 -9.216) 16.482 6.626 ( -6.404 1.522 0.515) 6.603 6.835 ( 15.952 -5.120 -2.604) 16.955 6.882 ( 1.717 1.426 2.883) 3.646 7.106 ( -2.466 -4.860 2.540) 6.013 7.601 ( -3.929 -23.241 -10.307) 25.725 7.797 ( -6.970 7.477 -18.402) 21.050 8.594 ( -11.325 15.237 -6.320) 20.009 9.418 ( 0.837 2.318 1.873) 3.096 9.549 ( 12.809 -4.676 11.470) 17.819 10.205 ( -3.180 -0.193 5.004) 5.932 10.530 ( 11.094 5.720 -0.420) 12.489 11.879 ( -17.885 -34.021 1.590) 38.469 12.126 ( -19.193 13.937 -0.459) 23.725 13.040 ( -8.207 -3.076 4.400) 9.807 13.297 ( 5.931 -1.029 -0.560) 6.046 13.656 ( 27.069 15.787 12.001) 33.556 14.748 ( 4.522 1.887 -1.548) 5.139 16.374 ( -1.434 -0.815 3.615) 3.973 17.081 ( -5.633 -2.618 -8.664) 10.660 ======================= 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| 1.478 ( -1.221 3.112 8.115) 8.777 1.771 ( 2.244 1.588 14.021) 14.288 1.983 ( 5.307 1.185 -0.772) 5.492 2.591 ( -4.293 -4.366 -13.167) 14.521 3.213 ( 7.388 2.364 1.450) 7.891 3.476 ( -2.198 2.772 -2.547) 4.359 3.605 ( -12.383 -1.911 5.881) 13.841 4.062 ( 1.984 -1.043 -9.084) 9.357 5.182 ( 10.377 6.837 3.017) 12.788 5.379 ( 4.871 -2.013 -4.217) 6.750 6.094 ( -18.850 -2.605 -9.159) 21.119 6.477 ( -11.505 -2.834 -1.431) 11.935 6.806 ( -4.147 -7.612 -6.871) 11.061 6.937 ( -4.270 -11.591 -4.647) 13.198 7.031 ( 9.124 -5.817 5.596) 12.182 7.466 ( 5.344 -1.532 2.880) 6.261 7.649 ( -4.096 5.374 -13.982) 15.529 8.543 ( -13.092 17.157 6.157) 22.443 9.442 ( 0.950 0.126 -3.274) 3.412 9.766 ( 8.262 -5.805 15.329) 18.356 10.265 ( 3.528 7.446 1.291) 8.341 10.752 ( 10.992 3.103 -3.477) 11.939 11.289 ( -16.539 -24.028 -5.451) 29.675 12.011 ( -8.346 9.827 2.040) 13.053 12.862 ( -12.036 -6.563 5.053) 14.611 13.338 ( 2.564 -2.401 -2.886) 4.546 14.275 ( 20.525 11.144 13.491) 26.972 14.804 ( 5.206 0.643 -8.029) 9.591 16.351 ( -2.270 -1.068 1.813) 3.095 16.862 ( -9.127 -3.256 -9.772) 13.763 ======================= 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| 1.529 ( -0.226 1.826 4.185) 4.572 1.930 ( 2.616 1.998 14.116) 14.495 2.084 ( 4.792 3.804 0.852) 6.177 2.400 ( -3.581 -3.573 -10.572) 11.720 3.257 ( -7.810 -13.030 2.909) 15.468 3.321 ( -6.989 -0.639 -2.690) 7.516 3.580 ( 2.702 10.964 -0.207) 11.294 4.009 ( 1.864 0.831 -13.237) 13.394 5.307 ( 4.334 -4.384 -6.578) 9.015 5.593 ( 11.994 8.309 6.835) 16.113 5.704 ( -11.808 -5.122 -9.076) 15.750 6.200 ( -8.863 -11.383 -3.423) 14.827 6.485 ( -13.372 -8.610 -12.026) 19.939 6.822 ( -3.974 -0.722 0.524) 4.073 7.077 ( -2.921 -5.561 8.041) 10.204 7.612 ( 3.401 3.101 -7.021) 8.395 7.633 ( 5.686 7.566 7.705) 12.204 8.570 ( -6.755 9.341 11.403) 16.214 9.412 ( 1.311 -3.946 -5.482) 6.881 9.926 ( 0.878 1.976 13.982) 14.148 10.465 ( 9.453 8.553 -3.034) 13.105 10.757 ( -12.205 -13.353 -10.876) 21.108 10.927 ( 7.263 -0.798 -5.767) 9.308 12.066 ( 1.176 8.797 4.156) 9.800 12.560 ( -16.884 -11.656 3.581) 20.827 13.306 ( -0.489 -2.612 -3.901) 4.720 14.682 ( 8.603 3.634 3.639) 10.023 14.926 ( 14.417 4.453 1.067) 15.127 16.292 ( -4.811 -1.742 -0.167) 5.120 16.607 ( -7.938 -1.929 -11.780) 14.335 ======================= 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| 1.581 ( 1.998 1.791 2.246) 3.499 2.021 ( -0.765 -3.657 8.405) 9.198 2.190 ( -3.342 0.997 2.458) 4.267 2.321 ( 3.468 3.714 -1.241) 5.231 2.903 ( -16.471 -11.483 4.003) 20.473 3.234 ( 1.739 -1.060 -6.831) 7.128 3.745 ( 5.836 7.964 -8.650) 13.126 3.985 ( 2.761 3.724 -8.880) 10.017 5.211 ( -0.739 -10.057 -3.438) 10.655 5.544 ( 0.348 -0.668 -10.182) 10.210 5.810 ( 0.044 4.946 -1.302) 5.114 6.053 ( 9.230 -11.569 2.109) 14.949 6.104 ( -15.468 -0.794 -10.103) 18.492 6.747 ( -5.236 -0.090 2.660) 5.873 7.017 ( -5.041 -1.325 9.753) 11.058 7.661 ( 1.302 3.735 -0.845) 4.045 7.909 ( 9.329 7.735 10.062) 15.752 8.618 ( -3.134 2.506 8.568) 9.461 9.326 ( 2.486 -8.733 -12.863) 15.744 10.008 ( -5.887 5.136 10.324) 12.947 10.250 ( -12.498 -5.692 -22.254) 26.150 10.786 ( 9.071 4.464 3.501) 10.699 11.036 ( 8.426 3.727 -1.666) 9.362 12.135 ( -20.049 -5.609 -1.591) 20.879 12.264 ( 9.258 -1.031 7.440) 11.922 13.225 ( -3.419 -1.574 -3.605) 5.212 14.789 ( 5.477 -1.471 -1.574) 5.885 15.290 ( 14.883 6.401 7.673) 17.926 16.122 ( -9.375 -2.834 -4.659) 10.845 16.464 ( -0.007 1.633 -10.843) 10.966 ======================= 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| 1.564 ( 4.706 4.754 10.680) 12.602 1.661 ( -3.220 4.861 8.807) 10.562 1.893 ( -0.961 1.830 7.990) 8.253 2.690 ( -1.070 -1.955 -14.295) 14.468 3.086 ( 0.618 -7.798 2.142) 8.110 3.417 ( 1.306 7.279 -5.599) 9.276 3.868 ( 4.279 -6.343 5.868) 9.643 3.989 ( -3.950 -2.541 -0.359) 4.711 4.970 ( 0.063 4.009 2.505) 4.728 5.379 ( -1.085 1.538 -6.870) 7.123 6.399 ( 10.382 -8.241 -3.871) 13.809 6.535 ( -1.004 -8.704 -4.168) 9.702 6.840 ( -8.133 6.994 0.750) 10.753 6.993 ( 2.168 8.746 5.429) 10.520 7.056 ( -5.672 -14.885 -1.892) 16.041 7.459 ( -6.534 -10.504 -6.891) 14.160 7.777 ( 1.043 4.535 -17.704) 18.305 8.571 ( 15.385 5.971 -10.168) 19.384 9.432 ( 2.026 -3.629 5.107) 6.584 9.650 ( -10.913 16.974 6.196) 21.109 10.239 ( 4.294 -3.887 6.416) 8.644 10.504 ( -1.844 8.730 -1.021) 8.981 11.569 ( -3.379 -51.629 6.508) 52.147 12.413 ( 4.404 1.507 -5.403) 7.132 13.093 ( 1.230 -3.871 4.719) 6.226 13.219 ( -2.646 -1.142 0.517) 2.928 13.766 ( -0.407 34.252 8.997) 35.416 14.745 ( -0.509 2.740 -1.064) 2.984 16.394 ( -0.053 -2.899 3.953) 4.903 17.011 ( 0.545 -8.025 -8.004) 11.347 ======================= 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| 1.653 ( -5.843 6.329 5.673) 10.314 1.803 ( 7.111 4.878 5.728) 10.352 1.953 ( 0.409 1.553 6.376) 6.575 2.521 ( -3.398 -3.896 -13.487) 14.443 3.117 ( 5.019 -2.279 4.761) 7.284 3.472 ( 2.513 3.932 -5.783) 7.431 3.813 ( -9.315 -2.492 3.327) 10.200 3.907 ( 3.236 -10.500 -3.482) 11.526 5.099 ( 7.215 4.230 2.505) 8.730 5.355 ( -0.871 5.979 -1.312) 6.183 6.311 ( -11.308 -5.433 -6.341) 14.057 6.421 ( -6.324 -19.050 -8.551) 21.818 6.651 ( 4.990 -16.664 2.795) 17.618 6.849 ( -0.776 -4.383 -2.280) 5.001 7.099 ( -4.687 7.882 5.755) 10.826 7.410 ( 4.282 2.817 4.207) 6.631 7.696 ( -3.694 9.049 -12.639) 15.978 8.805 ( 6.388 13.906 -14.158) 20.848 9.403 ( -2.624 -6.681 -0.056) 7.179 9.695 ( -1.396 7.479 11.964) 14.178 10.392 ( 3.578 6.541 10.964) 13.259 10.580 ( 5.940 4.270 -6.486) 9.777 11.082 ( -4.322 -45.107 7.412) 45.916 12.260 ( -10.538 0.739 -7.481) 12.945 13.050 ( -9.421 -0.627 4.813) 10.597 13.202 ( 4.472 -7.110 -1.134) 8.476 14.249 ( 12.183 24.724 10.216) 29.395 14.741 ( 0.020 2.388 -5.408) 5.912 16.372 ( -1.240 -3.672 2.878) 4.828 16.845 ( -3.572 -9.585 -7.998) 12.985 ======================= 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| 1.635 ( -4.297 3.335 2.408) 5.949 2.021 ( 0.054 1.105 13.095) 13.141 2.036 ( 8.036 9.801 -0.002) 12.674 2.347 ( -2.957 -2.622 -11.459) 12.121 3.181 ( 0.725 -5.456 2.415) 6.010 3.477 ( -3.424 -2.252 1.017) 4.222 3.641 ( -6.275 2.476 -6.151) 9.129 3.832 ( 4.600 -9.186 -5.555) 11.678 5.208 ( 1.226 2.442 -4.126) 4.949 5.517 ( 8.576 6.676 4.922) 11.931 5.889 ( -18.124 -10.031 0.101) 20.715 6.062 ( -4.793 -19.388 -8.529) 21.717 6.589 ( -5.707 -3.566 -6.623) 9.442 6.834 ( 2.130 -2.810 1.905) 4.008 7.133 ( -1.241 0.462 9.748) 9.837 7.616 ( 8.903 7.092 2.743) 11.709 7.678 ( -3.880 13.276 -3.633) 14.301 8.833 ( -5.790 7.688 -6.067) 11.377 9.265 ( -1.325 -7.955 -8.739) 11.892 9.898 ( 7.543 0.589 15.715) 17.442 10.537 ( -4.834 1.369 -0.743) 5.079 10.654 ( 0.892 -14.175 7.430) 16.029 10.736 ( 7.892 -0.608 -10.423) 13.088 12.099 ( -1.763 -5.001 -1.317) 5.464 12.805 ( -18.126 -6.033 2.507) 19.268 13.211 ( 3.966 -4.757 -1.330) 6.334 14.654 ( 4.182 5.185 4.709) 8.158 14.820 ( 10.311 15.222 0.321) 18.389 16.326 ( -2.164 -3.512 1.548) 4.406 16.606 ( -6.455 -8.887 -9.842) 14.748 ======================= 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| 1.625 ( -1.816 2.576 1.674) 3.569 2.063 ( -1.702 -1.968 7.424) 7.867 2.228 ( -2.219 -0.155 -6.369) 6.746 2.314 ( 7.565 10.748 5.015) 14.068 3.039 ( -7.776 -9.969 0.832) 12.670 3.286 ( -12.345 -1.535 0.771) 12.464 3.611 ( 4.984 0.408 -16.491) 17.232 3.877 ( 8.108 0.882 0.454) 8.169 5.138 ( -4.355 -4.439 -3.937) 7.360 5.556 ( -4.782 2.166 -3.267) 6.184 5.744 ( -0.918 -12.413 -4.771) 13.330 5.875 ( 6.094 -0.085 6.060) 8.595 6.355 ( -14.171 2.923 -8.192) 16.627 6.825 ( -2.539 -2.136 3.029) 4.492 7.187 ( -3.159 2.781 13.057) 13.718 7.729 ( -1.606 11.361 -0.714) 11.496 7.895 ( 10.181 8.772 4.554) 14.189 8.745 ( -5.540 -1.591 2.502) 6.284 9.062 ( -0.870 -12.926 -18.124) 22.278 10.077 ( 2.455 -4.432 6.011) 7.861 10.216 ( -5.963 -9.020 -13.017) 16.922 10.807 ( 1.523 9.159 7.155) 11.721 10.898 ( 12.203 8.644 -4.486) 15.613 12.071 ( 5.867 -16.090 6.936) 18.477 12.417 ( -18.148 -6.235 -1.078) 19.219 13.207 ( 0.312 -2.567 -1.230) 2.864 14.732 ( 2.395 4.536 -0.505) 5.154 15.216 ( 12.064 13.650 7.403) 19.664 16.203 ( -8.255 -6.764 -2.094) 10.876 16.399 ( -0.910 -2.230 -9.593) 9.891 ======================= 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| 1.568 ( 4.795 3.358 7.471) 9.491 1.816 ( -3.350 2.639 7.257) 8.417 1.987 ( -1.680 3.949 2.718) 5.080 2.567 ( 2.775 -1.149 -14.196) 14.511 3.115 ( -7.239 -3.381 8.377) 11.576 3.416 ( 0.106 0.999 -5.696) 5.784 3.725 ( 8.278 -7.034 5.490) 12.171 3.982 ( -1.060 -5.459 -5.074) 7.528 5.083 ( -6.965 2.875 2.353) 7.894 5.410 ( -1.117 8.893 -3.367) 9.575 6.105 ( 11.047 -12.287 -0.631) 16.535 6.391 ( 1.207 -15.612 -2.178) 15.810 6.875 ( -0.369 -9.112 -4.268) 10.069 6.971 ( 4.051 -7.434 -6.862) 10.898 7.143 ( -6.737 11.728 1.649) 13.625 7.508 ( -2.668 3.394 0.235) 4.324 7.617 ( 9.302 8.093 -12.580) 17.615 8.402 ( 2.389 0.146 4.039) 4.695 9.397 ( -0.516 -4.386 -0.406) 4.435 10.012 ( -0.845 13.686 15.152) 20.435 10.162 ( -0.587 -0.576 -3.071) 3.180 10.668 ( -7.784 7.045 -2.494) 10.791 11.164 ( -1.021 -42.840 0.912) 42.862 12.183 ( 16.191 3.275 -1.982) 16.638 13.020 ( 7.749 -4.760 6.415) 11.130 13.258 ( -5.197 -4.159 -3.734) 7.632 14.261 ( -12.089 25.192 9.545) 29.528 14.770 ( -1.402 4.783 -6.424) 8.131 16.375 ( 1.286 -3.690 3.364) 5.156 16.816 ( 4.712 -11.609 -7.401) 14.551 ======================= 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| 1.702 ( 3.101 -0.910 -1.367) 3.509 1.856 ( -0.333 9.435 5.572) 10.963 2.032 ( -0.510 3.529 5.205) 6.309 2.453 ( -2.314 -2.521 -13.184) 13.621 3.107 ( 0.258 -1.174 12.119) 12.179 3.411 ( 2.495 0.736 -5.321) 5.923 3.740 ( 1.307 -13.087 -0.223) 13.154 3.887 ( -1.925 -3.870 -0.480) 4.349 5.076 ( 1.606 2.772 3.167) 4.505 5.462 ( -2.056 10.815 -1.335) 11.089 6.179 ( -1.568 -20.512 -6.486) 21.570 6.229 ( 12.245 -9.373 2.226) 15.580 6.553 ( -9.388 -22.544 0.953) 24.439 6.896 ( -6.479 0.831 -2.732) 7.081 7.198 ( 1.399 5.912 2.017) 6.401 7.483 ( -6.019 4.796 -0.985) 7.758 7.743 ( 4.170 13.600 -10.264) 17.541 8.607 ( 11.651 7.343 -4.299) 14.427 9.329 ( 0.770 -10.364 0.779) 10.422 10.078 ( -12.595 20.677 0.654) 24.220 10.299 ( 10.381 -4.098 10.664) 15.436 10.620 ( -1.080 3.903 -2.283) 4.649 10.774 ( -2.668 -36.957 12.261) 39.029 12.280 ( -1.436 -2.220 -8.804) 9.193 13.044 ( 2.968 -11.562 -0.993) 11.978 13.174 ( -1.655 -0.511 3.304) 3.730 14.460 ( -0.245 22.801 7.752) 24.084 14.748 ( -1.382 6.579 -7.657) 10.189 16.366 ( -0.261 -4.539 3.572) 5.782 16.701 ( 1.340 -13.966 -5.199) 14.962 ======================= 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| 1.676 ( 0.225 -1.799 -3.654) 4.079 2.037 ( 4.247 12.764 -0.345) 13.457 2.111 ( 1.232 2.805 8.752) 9.273 2.303 ( -2.782 -2.271 -9.590) 10.240 3.190 ( -0.588 -2.094 9.624) 9.866 3.431 ( 2.475 0.654 -4.400) 5.091 3.572 ( 0.387 -16.411 -3.657) 16.818 3.801 ( -5.275 -1.410 1.057) 5.562 5.208 ( 4.309 5.990 1.646) 7.561 5.536 ( 0.007 7.490 1.674) 7.674 5.847 ( -4.510 -20.323 -6.933) 21.942 6.125 ( -14.274 -10.185 1.426) 17.593 6.458 ( 11.400 -12.134 7.924) 18.438 6.800 ( -2.289 -0.818 -1.278) 2.746 7.233 ( -2.509 1.918 0.442) 3.189 7.520 ( 7.271 3.517 1.428) 8.203 7.855 ( -0.865 16.168 -9.176) 18.610 8.743 ( 4.778 2.664 -13.690) 14.743 9.246 ( -1.993 -8.395 3.676) 9.379 10.066 ( -10.136 9.832 8.397) 16.429 10.431 ( -0.007 -28.175 17.201) 33.011 10.513 ( 7.588 -1.308 -10.098) 12.698 10.742 ( 1.858 11.548 5.856) 13.081 12.083 ( -7.681 -4.723 -6.959) 11.389 12.914 ( -3.297 -15.907 -3.952) 16.719 13.163 ( -1.814 0.788 4.785) 5.178 14.673 ( 2.164 3.544 2.700) 4.953 14.864 ( 6.133 22.221 -1.287) 23.088 16.335 ( -1.405 -3.768 3.568) 5.376 16.516 ( -2.715 -14.088 -5.746) 15.456 ======================= 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| 1.652 ( 0.325 -0.806 -1.648) 1.863 2.126 ( -2.229 2.400 -2.000) 3.838 2.204 ( 1.123 2.899 -6.044) 6.797 2.321 ( 7.305 6.522 7.653) 12.429 3.086 ( -8.261 -8.210 1.447) 11.737 3.433 ( -3.330 -7.182 3.713) 8.744 3.436 ( 1.278 -0.384 -9.950) 10.039 3.786 ( 4.026 2.306 3.398) 5.751 5.223 ( -8.889 2.006 -3.641) 9.813 5.596 ( 1.486 -8.643 4.266) 9.752 5.637 ( -1.177 -0.077 -3.345) 3.547 5.902 ( -4.533 -1.730 5.518) 7.348 6.481 ( -3.899 -0.455 -3.168) 5.044 6.809 ( 3.357 -4.498 3.589) 6.662 7.271 ( 4.673 -0.422 10.188) 11.216 7.757 ( 14.042 4.657 -0.291) 14.797 7.897 ( -3.941 14.414 -9.752) 17.844 8.657 ( 0.194 -6.153 -15.539) 16.714 9.101 ( -13.255 -3.307 5.851) 14.862 10.011 ( -2.301 -7.041 -7.049) 10.225 10.176 ( -6.697 -12.769 8.550) 16.763 10.731 ( 12.890 9.648 -3.152) 16.406 10.938 ( 2.735 10.457 6.245) 12.483 11.911 ( -1.202 -11.336 2.451) 11.660 12.576 ( -13.719 -15.427 -3.444) 20.930 13.181 ( 0.146 -1.396 2.210) 2.618 14.766 ( 2.207 8.174 1.193) 8.551 15.223 ( 10.234 17.083 4.009) 20.314 16.239 ( -7.344 -11.969 -0.272) 14.045 16.330 ( -0.140 -2.182 -4.257) 4.786 ======================= 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| 1.580 ( 2.328 2.411 5.195) 6.183 1.957 ( -4.765 2.667 9.546) 10.998 2.076 ( -2.176 4.758 2.606) 5.845 2.404 ( 4.527 0.113 -11.914) 12.746 3.314 ( -1.577 -0.689 2.932) 3.400 3.330 ( -5.438 -7.499 0.576) 9.281 3.532 ( 11.522 -2.896 0.680) 11.900 3.889 ( -0.836 -4.982 -8.126) 9.568 5.247 ( -8.252 1.855 -1.827) 8.653 5.541 ( -4.611 8.732 0.579) 9.891 5.780 ( 12.718 -10.281 -1.948) 16.469 6.182 ( 2.633 -15.934 -2.108) 16.287 6.655 ( 8.733 -9.549 -11.007) 16.988 6.821 ( 5.009 1.429 -2.427) 5.747 7.249 ( 6.755 6.737 -0.621) 9.560 7.558 ( -2.049 7.965 -3.296) 8.861 7.642 ( -3.650 6.184 8.582) 11.189 8.489 ( -4.255 -2.170 12.341) 13.233 9.359 ( -2.510 -3.606 -6.719) 8.028 10.030 ( 4.856 -10.827 18.156) 21.690 10.358 ( -8.041 18.188 -3.964) 20.277 10.700 ( 2.392 -23.511 -7.628) 24.833 10.901 ( -3.166 4.031 -8.351) 9.799 12.002 ( 5.240 -1.393 1.378) 5.595 12.810 ( 14.201 -9.202 6.068) 17.977 13.260 ( -2.557 -3.337 -4.632) 6.256 14.659 ( -6.432 7.268 4.505) 10.700 14.887 ( -8.936 17.493 -3.893) 20.025 16.330 ( 2.725 -3.727 3.317) 5.685 16.548 ( 6.320 -12.066 -8.160) 15.878 ======================= 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 ( 0.865 -0.413 0.370) 1.028 1.991 ( -2.059 7.901 5.539) 9.867 2.110 ( -1.405 3.482 4.216) 5.646 2.359 ( 0.273 -0.149 -13.888) 13.892 3.195 ( -2.415 -5.709 5.314) 8.165 3.359 ( 2.088 -0.042 7.445) 7.733 3.594 ( 1.482 -11.714 -1.916) 11.962 3.829 ( 3.066 -0.480 -3.579) 4.737 5.136 ( -4.146 -0.059 2.945) 5.086 5.575 ( -1.139 7.685 -2.066) 8.039 5.894 ( 12.155 -13.876 2.366) 18.598 6.009 ( -0.438 -13.946 -4.293) 14.599 6.496 ( -4.649 -13.696 1.599) 14.552 6.903 ( 2.460 -0.097 -3.830) 4.553 7.303 ( -4.400 4.735 -5.390) 8.416 7.624 ( -6.789 5.916 -2.582) 9.368 7.699 ( 5.615 11.952 -2.431) 13.427 8.601 ( 3.163 5.900 12.463) 14.147 9.211 ( -0.724 -12.639 -1.370) 12.734 10.114 ( 7.049 -2.617 2.178) 7.829 10.428 ( 2.504 -16.750 7.426) 18.493 10.500 ( -5.760 7.658 5.287) 10.944 10.797 ( -6.595 4.797 -4.875) 9.501 12.153 ( 10.544 0.841 -5.478) 11.912 12.841 ( 2.712 -19.704 -0.273) 19.891 13.189 ( 0.163 0.794 0.307) 0.867 14.658 ( -2.659 3.733 2.080) 5.033 14.906 ( -7.326 21.864 -5.623) 23.734 16.345 ( 0.739 -3.151 2.827) 4.297 16.481 ( 4.816 -15.400 -1.071) 16.171 ======================= 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| 1.617 ( -0.439 -1.501 -4.216) 4.497 2.101 ( 1.649 7.764 -0.252) 7.941 2.161 ( 0.493 3.805 4.709) 6.074 2.252 ( -1.599 -0.655 -10.018) 10.166 3.197 ( 3.870 -5.829 6.016) 9.228 3.387 ( -2.841 -19.273 -3.757) 19.841 3.464 ( -1.299 5.469 9.088) 10.686 3.858 ( -0.806 1.329 0.914) 1.803 5.188 ( 5.429 2.383 4.928) 7.710 5.587 ( 0.195 -5.735 0.285) 5.745 5.752 ( -5.426 -1.687 -5.283) 7.759 6.115 ( 14.466 -8.285 4.603) 17.294 6.269 ( -8.424 -15.770 7.755) 19.489 6.845 ( -3.974 -2.259 -2.202) 5.074 7.222 ( -0.960 -2.576 -4.897) 5.616 7.554 ( -4.627 5.566 -0.493) 7.255 7.850 ( 4.476 11.979 -13.573) 18.648 8.720 ( -2.569 3.561 -2.035) 4.839 9.175 ( 6.200 -7.351 11.080) 14.672 10.245 ( 6.786 -3.123 -7.132) 10.328 10.284 ( -3.051 -20.135 15.297) 25.470 10.512 ( -8.580 12.810 5.366) 16.325 10.833 ( 2.803 8.546 3.392) 9.612 12.179 ( -6.962 3.529 -6.526) 10.174 12.657 ( 5.343 -21.461 -5.412) 22.768 13.222 ( -0.009 -1.227 4.187) 4.363 14.686 ( 1.363 3.416 0.830) 3.770 15.011 ( -0.413 21.466 -4.480) 21.932 16.330 ( 0.790 -5.290 -2.630) 5.960 16.389 ( -1.059 -12.690 7.906) 14.989 ======================= 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| 1.601 ( 2.108 0.103 -2.889) 3.578 2.137 ( 0.306 1.387 -11.402) 11.490 2.166 ( 0.002 2.740 -3.242) 4.245 2.298 ( 5.032 2.029 6.171) 8.217 3.109 ( -5.000 -13.775 -2.504) 14.867 3.296 ( 8.656 -8.520 6.068) 13.577 3.515 ( -6.146 7.882 4.805) 11.090 3.851 ( -3.432 3.318 4.521) 6.575 5.328 ( 0.290 -1.264 1.301) 1.837 5.523 ( 0.249 -5.047 4.712) 6.910 5.673 ( -3.224 4.029 0.024) 5.160 6.008 ( -7.134 -5.850 4.712) 10.360 6.379 ( 14.666 -6.922 7.614) 17.916 6.749 ( -1.929 -3.238 -1.389) 4.017 7.166 ( 4.678 -6.101 -5.381) 9.384 7.622 ( 5.879 4.592 2.911) 8.008 7.921 ( 3.679 10.812 -15.328) 19.115 8.592 ( -6.569 -1.167 -11.081) 12.935 9.311 ( -1.631 1.319 14.405) 14.557 9.962 ( -10.684 -9.212 -12.762) 19.023 10.250 ( -4.173 -18.184 19.891) 27.271 10.674 ( 6.054 17.425 -0.520) 18.454 11.000 ( 3.732 7.311 4.010) 9.135 11.968 ( -12.370 -2.176 -0.925) 12.594 12.503 ( 0.090 -15.819 -6.504) 17.104 13.206 ( -2.383 -3.107 3.962) 5.570 14.800 ( 4.745 7.904 1.817) 9.397 15.245 ( 7.670 17.410 -2.090) 19.139 16.184 ( -3.347 -13.790 -1.306) 14.251 16.359 ( -2.726 -0.564 7.171) 7.692 ======================= 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| 1.632 ( 0.000 -0.000 8.728) 8.728 1.632 ( 0.000 -0.000 8.728) 8.728 1.935 ( 0.000 -0.000 7.137) 7.137 2.621 ( -0.000 0.000 -12.650) 12.650 3.230 ( 0.000 0.000 -2.593) 2.593 3.230 ( -0.000 0.000 -2.593) 2.593 3.999 ( 0.000 -0.000 3.506) 3.506 3.999 ( 0.000 -0.000 3.506) 3.506 4.951 ( 0.000 -0.000 5.336) 5.336 5.313 ( -0.000 0.000 -9.442) 9.442 6.498 ( -0.000 0.000 -4.636) 4.636 6.498 ( -0.000 0.000 -4.636) 4.636 6.908 ( 0.000 -0.000 10.620) 10.620 6.908 ( 0.000 -0.000 10.620) 10.620 7.167 ( -0.000 0.000 -0.049) 0.049 7.563 ( -0.000 0.000 -18.324) 18.324 7.563 ( -0.000 0.000 -18.324) 18.324 8.448 ( -0.000 0.000 -8.729) 8.729 9.502 ( 0.000 -0.000 5.293) 5.293 9.502 ( 0.000 -0.000 5.293) 5.293 10.360 ( 0.000 0.000 1.817) 1.817 10.360 ( 0.000 -0.000 1.817) 1.817 12.311 ( 0.000 0.000 0.085) 0.085 12.311 ( 0.000 0.000 0.085) 0.085 13.198 ( 0.000 0.000 0.588) 0.588 13.198 ( 0.000 -0.000 0.588) 0.588 13.327 ( 0.000 -0.000 9.646) 9.646 14.745 ( 0.000 -0.000 2.728) 2.728 16.453 ( 0.000 -0.000 4.266) 4.266 17.035 ( -0.000 0.000 -7.385) 7.385 ======================= 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| 1.624 ( -3.454 0.368 7.952) 8.678 1.772 ( 5.676 1.719 1.717) 6.174 1.987 ( 0.912 0.474 6.234) 6.318 2.506 ( -2.782 -2.532 -10.891) 11.522 3.174 ( 1.467 -0.047 3.923) 4.188 3.322 ( 4.182 4.099 -6.602) 8.825 3.907 ( -8.975 -3.002 4.688) 10.561 4.018 ( -0.980 -2.339 -1.313) 2.856 5.050 ( 4.746 3.110 4.906) 7.501 5.269 ( 2.566 0.445 -5.700) 6.266 6.334 ( -12.065 -1.050 0.290) 12.114 6.529 ( 0.699 -0.808 -6.974) 7.056 6.900 ( -4.023 -7.515 1.952) 8.745 6.993 ( 0.431 2.797 10.810) 11.174 7.123 ( -5.066 -9.370 -1.416) 10.745 7.410 ( 3.289 -3.166 -7.671) 8.926 7.456 ( 0.476 5.066 -12.648) 13.633 8.466 ( 1.598 10.055 -5.004) 11.344 9.469 ( -5.137 -1.083 2.541) 5.832 9.701 ( 15.498 0.339 3.460) 15.883 10.319 ( -4.532 4.027 5.824) 8.407 10.495 ( 9.502 1.650 -3.037) 10.111 11.844 ( -30.390 -21.037 -4.575) 37.243 12.177 ( -8.701 -0.433 4.837) 9.965 13.121 ( -5.535 -2.977 3.777) 7.332 13.261 ( 2.865 0.084 -2.818) 4.020 13.846 ( 28.912 16.646 6.037) 33.903 14.736 ( -1.687 -1.274 -0.024) 2.114 16.448 ( -2.478 -1.561 3.159) 4.308 16.920 ( -6.178 -3.115 -6.062) 9.198 ======================= 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| 1.622 ( -2.814 0.090 5.933) 6.567 1.906 ( 7.933 4.274 -0.523) 9.026 2.068 ( 2.114 1.418 7.074) 7.518 2.349 ( -3.980 -3.768 -7.461) 9.258 3.264 ( 3.420 -2.160 2.106) 4.561 3.374 ( 3.215 6.482 -6.528) 9.745 3.702 ( -13.786 -5.686 3.411) 15.298 3.923 ( -3.418 -3.246 -4.090) 6.241 5.149 ( 4.236 0.812 -3.926) 5.832 5.412 ( 10.250 6.000 3.781) 12.465 6.045 ( -20.167 -5.711 3.743) 21.291 6.361 ( -6.297 -10.351 -8.227) 14.645 6.649 ( -13.196 -10.832 -7.527) 18.658 6.881 ( -3.905 0.092 -1.045) 4.043 7.188 ( 3.696 1.174 6.849) 7.871 7.438 ( 3.884 4.524 -3.287) 6.809 7.579 ( 8.449 2.649 6.063) 10.731 8.596 ( 3.101 10.335 -0.517) 10.802 9.354 ( -4.709 -5.106 -2.701) 7.452 10.018 ( 17.537 -0.234 6.767) 18.799 10.325 ( -6.782 8.797 4.780) 12.093 10.667 ( 11.348 1.960 -4.906) 12.518 11.072 ( -28.667 -19.324 -14.677) 37.559 12.113 ( -4.377 2.691 7.207) 8.851 12.968 ( -11.027 -8.002 5.136) 14.561 13.261 ( 0.863 -0.862 -4.418) 4.583 14.492 ( 24.137 14.053 6.545) 28.687 14.684 ( -0.494 -1.240 -3.087) 3.363 16.395 ( -3.172 -2.107 1.479) 4.085 16.693 ( -11.116 -5.451 -5.329) 13.479 ======================= 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| 1.709 ( 3.739 0.042 1.909) 4.198 1.745 ( -3.401 3.558 1.733) 5.218 2.023 ( 0.106 1.855 3.871) 4.294 2.450 ( -0.509 -3.579 -6.746) 7.654 3.180 ( -0.613 -0.098 6.482) 6.511 3.289 ( 0.953 5.189 -6.538) 8.401 3.954 ( 2.251 -7.806 1.254) 8.221 3.987 ( -2.100 -4.539 0.742) 5.056 5.060 ( 0.372 1.260 4.511) 4.698 5.256 ( -0.604 7.292 -4.686) 8.689 6.391 ( 5.595 -6.294 -0.309) 8.427 6.427 ( -3.070 -6.116 -1.800) 7.076 6.908 ( -0.963 -7.153 2.044) 7.502 7.029 ( -6.022 -20.071 2.009) 21.051 7.126 ( 3.470 4.217 6.479) 8.474 7.352 ( -3.106 5.977 -6.180) 9.141 7.438 ( 2.050 10.162 -10.637) 14.853 8.435 ( 3.787 6.603 -2.628) 8.053 9.493 ( 1.560 -5.955 0.774) 6.205 9.718 ( -4.366 15.523 1.137) 16.165 10.365 ( 4.548 0.033 4.316) 6.270 10.460 ( -3.287 6.760 -2.332) 7.870 11.717 ( -0.186 -44.455 7.390) 45.065 12.293 ( 0.355 -3.742 -6.137) 7.196 13.176 ( 0.136 -2.891 1.481) 3.251 13.201 ( -0.232 -0.871 0.065) 0.904 13.886 ( -0.185 34.482 2.214) 34.554 14.737 ( -0.129 -2.940 -0.060) 2.944 16.464 ( -0.078 -3.298 2.042) 3.880 16.885 ( 0.220 -7.609 -3.116) 8.225 ======================= 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| 1.680 ( -0.606 -1.473 -3.016) 3.411 1.845 ( 3.765 6.961 1.451) 8.046 2.077 ( 1.663 2.895 -0.658) 3.403 2.357 ( -2.604 -4.477 2.138) 5.603 3.250 ( -0.159 1.545 5.312) 5.535 3.319 ( 3.368 4.325 -6.468) 8.478 3.812 ( -4.901 -10.558 -3.002) 12.021 3.908 ( -4.252 -5.951 2.624) 7.770 5.117 ( 0.880 3.642 -0.625) 3.798 5.366 ( 5.875 8.909 1.453) 10.770 6.194 ( -3.402 -16.942 -7.851) 18.980 6.323 ( -13.702 -8.005 2.276) 16.032 6.765 ( -10.424 -11.949 6.612) 17.180 6.851 ( 3.823 -5.919 3.364) 7.808 7.197 ( 1.824 3.085 0.848) 3.683 7.442 ( 6.841 5.619 1.155) 8.928 7.536 ( 1.779 11.035 -1.821) 11.325 8.544 ( 5.029 7.162 -10.290) 13.508 9.397 ( -4.871 -6.205 -0.370) 7.897 9.923 ( 5.969 11.681 10.310) 16.684 10.396 ( 4.092 0.272 -12.365) 13.027 10.573 ( 2.648 9.361 6.838) 11.891 11.174 ( -20.872 -34.179 1.259) 40.067 12.166 ( -0.943 -6.638 -1.375) 6.844 13.119 ( -5.279 -6.647 -1.625) 8.642 13.177 ( -0.635 -0.520 2.344) 2.484 14.366 ( 15.907 27.238 0.235) 31.544 14.690 ( -1.346 -2.290 0.828) 2.782 16.418 ( -2.025 -3.485 0.358) 4.046 16.736 ( -5.931 -10.330 -1.076) 11.960 ======================= 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| 1.722 ( 0.000 -0.000 0.000) 0.000 1.722 ( 0.000 -0.000 0.000) 0.000 2.014 ( -0.000 0.000 -0.000) 0.000 2.468 ( 0.000 -0.000 0.000) 0.000 3.202 ( 0.000 -0.000 0.000) 0.000 3.202 ( 0.000 -0.000 0.000) 0.000 4.037 ( 0.000 -0.000 0.000) 0.000 4.037 ( 0.000 -0.000 0.000) 0.000 5.077 ( -0.000 0.000 -0.000) 0.000 5.154 ( 0.000 -0.000 0.000) 0.000 6.453 ( 0.000 -0.000 0.000) 0.000 6.453 ( 0.000 -0.000 0.000) 0.000 7.118 ( -0.000 0.000 -0.000) 0.000 7.118 ( -0.000 0.000 -0.000) 0.000 7.164 ( 0.000 -0.000 0.000) 0.000 7.269 ( 0.000 -0.000 0.000) 0.000 7.269 ( 0.000 -0.000 0.000) 0.000 8.358 ( 0.000 -0.000 0.000) 0.000 9.557 ( 0.000 -0.000 0.000) 0.000 9.557 ( 0.000 -0.000 0.000) 0.000 10.378 ( 0.000 -0.000 0.000) 0.000 10.378 ( 0.000 -0.000 0.000) 0.000 12.313 ( 0.000 -0.000 0.000) 0.000 12.313 ( 0.000 -0.000 0.000) 0.000 13.204 ( 0.000 -0.000 0.000) 0.000 13.204 ( 0.000 -0.000 0.000) 0.000 13.428 ( 0.000 -0.000 0.000) 0.000 14.774 ( 0.000 -0.000 0.000) 0.000 16.506 ( 0.000 -0.000 0.000) 0.000 16.948 ( 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 10.0 922.324 922.324 1729.236 0.000 -0.000 -0.000 3/30000 20.0 215.582 215.582 280.940 0.000 -0.000 -0.000 3/30000 30.0 91.874 91.874 110.666 0.000 -0.000 -0.000 3/30000 40.0 53.524 53.524 62.158 0.000 -0.000 -0.000 3/30000 50.0 35.942 35.942 40.855 0.000 -0.000 -0.000 3/30000 60.0 26.224 26.224 29.383 0.000 -0.000 -0.000 3/30000 70.0 20.262 20.262 22.471 0.000 -0.000 -0.000 3/30000 80.0 16.336 16.336 17.981 0.000 -0.000 -0.000 3/30000 90.0 13.605 13.605 14.891 0.000 -0.000 -0.000 3/30000 100.0 11.622 11.622 12.665 0.000 -0.000 -0.000 3/30000 110.0 10.129 10.129 10.999 0.000 -0.000 -0.000 3/30000 120.0 8.971 8.971 9.713 0.000 -0.000 -0.000 3/30000 130.0 8.050 8.050 8.694 0.000 -0.000 -0.000 3/30000 140.0 7.302 7.302 7.868 0.000 -0.000 -0.000 3/30000 150.0 6.683 6.683 7.187 0.000 -0.000 -0.000 3/30000 160.0 6.163 6.163 6.615 0.000 -0.000 -0.000 3/30000 170.0 5.720 5.720 6.130 0.000 -0.000 -0.000 3/30000 180.0 5.338 5.338 5.712 0.000 -0.000 -0.000 3/30000 190.0 5.006 5.006 5.349 0.000 -0.000 -0.000 3/30000 200.0 4.714 4.714 5.031 0.000 -0.000 -0.000 3/30000 210.0 4.455 4.455 4.749 0.000 -0.000 -0.000 3/30000 220.0 4.224 4.224 4.498 0.000 -0.000 -0.000 3/30000 230.0 4.017 4.017 4.274 0.000 -0.000 -0.000 3/30000 240.0 3.829 3.829 4.071 0.000 -0.000 -0.000 3/30000 250.0 3.659 3.659 3.887 0.000 -0.000 -0.000 3/30000 260.0 3.504 3.504 3.720 0.000 -0.000 -0.000 3/30000 270.0 3.362 3.362 3.566 0.000 -0.000 -0.000 3/30000 280.0 3.232 3.232 3.426 0.000 -0.000 -0.000 3/30000 290.0 3.111 3.111 3.296 0.000 -0.000 -0.000 3/30000 300.0 3.000 3.000 3.176 0.000 -0.000 -0.000 3/30000 310.0 2.896 2.896 3.065 0.000 -0.000 -0.000 3/30000 320.0 2.799 2.799 2.961 0.000 -0.000 -0.000 3/30000 330.0 2.709 2.709 2.864 0.000 -0.000 -0.000 3/30000 340.0 2.625 2.625 2.774 0.000 -0.000 -0.000 3/30000 350.0 2.545 2.545 2.689 0.000 -0.000 -0.000 3/30000 360.0 2.471 2.471 2.610 0.000 -0.000 -0.000 3/30000 370.0 2.401 2.401 2.535 0.000 -0.000 -0.000 3/30000 380.0 2.335 2.335 2.464 0.000 -0.000 -0.000 3/30000 390.0 2.272 2.272 2.398 0.000 -0.000 -0.000 3/30000 400.0 2.213 2.213 2.335 0.000 -0.000 -0.000 3/30000 410.0 2.157 2.157 2.275 0.000 -0.000 -0.000 3/30000 420.0 2.103 2.103 2.218 0.000 -0.000 -0.000 3/30000 430.0 2.053 2.053 2.164 0.000 -0.000 -0.000 3/30000 440.0 2.004 2.004 2.113 0.000 -0.000 -0.000 3/30000 450.0 1.958 1.958 2.064 0.000 -0.000 -0.000 3/30000 460.0 1.914 1.914 2.017 0.000 -0.000 -0.000 3/30000 470.0 1.872 1.872 1.972 0.000 -0.000 -0.000 3/30000 480.0 1.832 1.832 1.930 0.000 -0.000 -0.000 3/30000 490.0 1.794 1.794 1.889 0.000 -0.000 -0.000 3/30000 500.0 1.757 1.757 1.850 0.000 -0.000 -0.000 3/30000 510.0 1.722 1.722 1.813 0.000 -0.000 -0.000 3/30000 520.0 1.688 1.688 1.777 0.000 -0.000 -0.000 3/30000 530.0 1.655 1.655 1.742 0.000 -0.000 -0.000 3/30000 540.0 1.624 1.624 1.709 0.000 -0.000 -0.000 3/30000 550.0 1.594 1.594 1.677 0.000 -0.000 -0.000 3/30000 560.0 1.565 1.565 1.646 0.000 -0.000 -0.000 3/30000 570.0 1.537 1.537 1.617 0.000 -0.000 -0.000 3/30000 580.0 1.510 1.510 1.588 0.000 -0.000 -0.000 3/30000 590.0 1.483 1.483 1.560 0.000 -0.000 -0.000 3/30000 600.0 1.458 1.458 1.534 0.000 -0.000 -0.000 3/30000 610.0 1.434 1.434 1.508 0.000 -0.000 -0.000 3/30000 620.0 1.410 1.410 1.483 0.000 -0.000 -0.000 3/30000 630.0 1.388 1.388 1.459 0.000 -0.000 -0.000 3/30000 640.0 1.366 1.366 1.436 0.000 -0.000 -0.000 3/30000 650.0 1.344 1.344 1.413 0.000 -0.000 -0.000 3/30000 660.0 1.324 1.324 1.391 0.000 -0.000 -0.000 3/30000 670.0 1.304 1.304 1.370 0.000 -0.000 -0.000 3/30000 680.0 1.284 1.284 1.350 0.000 -0.000 -0.000 3/30000 690.0 1.265 1.265 1.330 0.000 -0.000 -0.000 3/30000 700.0 1.247 1.247 1.311 0.000 -0.000 -0.000 3/30000 710.0 1.229 1.229 1.292 0.000 -0.000 -0.000 3/30000 720.0 1.212 1.212 1.274 0.000 -0.000 -0.000 3/30000 730.0 1.195 1.195 1.256 0.000 -0.000 -0.000 3/30000 740.0 1.179 1.179 1.239 0.000 -0.000 -0.000 3/30000 750.0 1.163 1.163 1.222 0.000 -0.000 -0.000 3/30000 760.0 1.147 1.147 1.206 0.000 -0.000 -0.000 3/30000 770.0 1.132 1.132 1.190 0.000 -0.000 -0.000 3/30000 780.0 1.118 1.118 1.174 0.000 -0.000 -0.000 3/30000 790.0 1.103 1.103 1.159 0.000 -0.000 -0.000 3/30000 800.0 1.089 1.089 1.144 0.000 -0.000 -0.000 3/30000 810.0 1.076 1.076 1.130 0.000 -0.000 -0.000 3/30000 820.0 1.062 1.062 1.116 0.000 -0.000 -0.000 3/30000 830.0 1.050 1.050 1.103 0.000 -0.000 -0.000 3/30000 840.0 1.037 1.037 1.089 0.000 -0.000 -0.000 3/30000 850.0 1.025 1.025 1.076 0.000 -0.000 -0.000 3/30000 860.0 1.013 1.013 1.064 0.000 -0.000 -0.000 3/30000 870.0 1.001 1.001 1.051 0.000 -0.000 -0.000 3/30000 880.0 0.989 0.989 1.039 0.000 -0.000 -0.000 3/30000 890.0 0.978 0.978 1.027 0.000 -0.000 -0.000 3/30000 900.0 0.967 0.967 1.016 0.000 -0.000 -0.000 3/30000 910.0 0.957 0.957 1.005 0.000 -0.000 -0.000 3/30000 920.0 0.946 0.946 0.994 0.000 -0.000 -0.000 3/30000 930.0 0.936 0.936 0.983 0.000 -0.000 -0.000 3/30000 940.0 0.926 0.926 0.972 0.000 -0.000 -0.000 3/30000 950.0 0.916 0.916 0.962 0.000 -0.000 -0.000 3/30000 960.0 0.906 0.906 0.952 0.000 -0.000 -0.000 3/30000 970.0 0.897 0.897 0.942 0.000 -0.000 -0.000 3/30000 980.0 0.888 0.888 0.932 0.000 -0.000 -0.000 3/30000 990.0 0.879 0.879 0.923 0.000 -0.000 -0.000 3/30000 1000.0 0.870 0.870 0.913 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 23:21:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|