----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:28:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.679213065527312 2.124194653788178 6.089609666666660 b -3.679213065527305 2.124194653788178 6.089609666666660 c 0.000000000000004 -4.248389307576363 6.089609666666660 Atomic positions (fractional): *1 Cs 0.12385323184920 0.12385323184920 0.12385323184920 132.905 2 Cs 0.87614676815080 0.87614676815080 0.87614676815080 132.905 *3 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 4 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 *5 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 6 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 *7 O 0.81797609761266 0.81797609761266 0.42630404664106 15.999 *8 O 0.57026106737875 0.57026106737875 0.17030135680204 15.999 9 O 0.18202390238734 0.57369595335894 0.18202390238734 15.999 10 O 0.81797609761266 0.42630404664106 0.81797609761266 15.999 11 O 0.17030135680204 0.57026106737875 0.57026106737875 15.999 12 O 0.18202390238734 0.18202390238734 0.57369595335894 15.999 13 O 0.57026106737875 0.17030135680204 0.57026106737875 15.999 14 O 0.42973893262125 0.82969864319796 0.42973893262125 15.999 15 O 0.57369595335894 0.18202390238734 0.18202390238734 15.999 16 O 0.82969864319796 0.42973893262125 0.42973893262125 15.999 17 O 0.42973893262125 0.42973893262125 0.82969864319796 15.999 18 O 0.42630404664106 0.81797609761266 0.81797609761266 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.358426131054618 0.000000000000000 0.000000000000000 b -3.679213065527309 6.372583961364541 0.000000000000000 c 0.000000000000000 0.000000000000000 18.268829000000000 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.12385323184920 132.905 > 1 2 Cs 0.66666666666667 0.33333333333333 0.20948010148413 132.905 > 2 3 Cs 0.66666666666667 0.33333333333333 0.45718656518253 132.905 > 1 4 Cs 0.33333333333333 0.66666666666667 0.54281343481747 132.905 > 2 5 Cs 0.33333333333333 0.66666666666667 0.79051989851587 132.905 > 1 6 Cs 0.00000000000000 0.00000000000000 0.87614676815080 132.905 > 2 *7 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 3 8 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 4 *9 Te 0.33333333333333 0.66666666666667 0.16666666666667 127.600 > 5 10 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 6 11 Te 0.16666666666667 0.83333333333333 0.33333333333333 127.600 > 3 12 Te 0.66666666666667 0.83333333333333 0.33333333333333 127.600 > 4 13 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 5 14 Te 0.16666666666667 0.33333333333333 0.33333333333333 127.600 > 6 15 Te 0.83333333333333 0.16666666666667 0.66666666666667 127.600 > 3 16 Te 0.33333333333333 0.16666666666667 0.66666666666667 127.600 > 4 17 Te 0.66666666666667 0.33333333333333 0.83333333333333 127.600 > 5 18 Te 0.83333333333333 0.66666666666667 0.66666666666667 127.600 > 6 *19 O 0.79722401699053 0.59444803398107 0.02075208062212 15.999 > 7 *20 O 0.46665323685890 0.93330647371781 0.10360783051985 15.999 > 8 21 O 0.86944264967613 0.13055735032387 0.31258125271121 15.999 > 9 22 O 0.79722401699053 0.20277598300947 0.02075208062212 15.999 > 10 23 O 0.06669352628219 0.53334676314110 0.10360783051985 15.999 > 11 24 O 0.86944264967614 0.73888529935227 0.31258125271121 15.999 > 12 25 O 0.46665323685890 0.53334676314110 0.10360783051985 15.999 > 13 26 O 0.20001342980776 0.79998657019224 0.22972550281348 15.999 > 14 27 O 0.26111470064773 0.13055735032387 0.31258125271121 15.999 > 15 28 O 0.59997314038447 0.79998657019224 0.22972550281348 15.999 > 16 29 O 0.20001342980776 0.40002685961553 0.22972550281348 15.999 > 17 30 O 0.40555196601894 0.20277598300947 0.02075208062212 15.999 > 18 31 O 0.46389068365720 0.92778136731440 0.35408541395546 15.999 > 7 32 O 0.13331990352557 0.26663980705114 0.43694116385318 15.999 > 8 33 O 0.53610931634280 0.46389068365720 0.64591458604454 15.999 > 9 34 O 0.46389068365720 0.53610931634280 0.35408541395546 15.999 > 10 35 O 0.73336019294886 0.86668009647443 0.43694116385318 15.999 > 11 36 O 0.53610931634280 0.07221863268560 0.64591458604454 15.999 > 12 37 O 0.13331990352557 0.86668009647443 0.43694116385318 15.999 > 13 38 O 0.86668009647443 0.13331990352557 0.56305883614682 15.999 > 14 39 O 0.92778136731440 0.46389068365720 0.64591458604454 15.999 > 15 40 O 0.26663980705114 0.13331990352557 0.56305883614682 15.999 > 16 41 O 0.86668009647443 0.73336019294886 0.56305883614682 15.999 > 17 42 O 0.07221863268560 0.53610931634280 0.35408541395546 15.999 > 18 43 O 0.13055735032387 0.26111470064773 0.68741874728879 15.999 > 7 44 O 0.79998657019224 0.59997314038447 0.77027449718652 15.999 > 8 45 O 0.20277598300947 0.79722401699053 0.97924791937788 15.999 > 9 46 O 0.13055735032387 0.86944264967614 0.68741874728879 15.999 > 10 47 O 0.40002685961553 0.20001342980776 0.77027449718652 15.999 > 11 48 O 0.20277598300947 0.40555196601894 0.97924791937788 15.999 > 12 49 O 0.79998657019224 0.20001342980776 0.77027449718652 15.999 > 13 50 O 0.53334676314110 0.46665323685890 0.89639216948015 15.999 > 14 51 O 0.59444803398107 0.79722401699053 0.97924791937788 15.999 > 15 52 O 0.93330647371781 0.46665323685890 0.89639216948015 15.999 > 16 53 O 0.53334676314110 0.06669352628219 0.89639216948015 15.999 > 17 54 O 0.73888529935227 0.86944264967613 0.68741874728879 15.999 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.358426131054618 0.000000000000000 0.000000000000000 b -3.679213065527309 6.372583961364541 0.000000000000000 c 0.000000000000000 0.000000000000000 18.268829000000000 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.12385323184920 132.905 > 1 2 Cs 0.66666666666667 0.33333333333333 0.20948010148413 132.905 > 2 3 Cs 0.66666666666667 0.33333333333333 0.45718656518253 132.905 > 1 4 Cs 0.33333333333333 0.66666666666667 0.54281343481747 132.905 > 2 5 Cs 0.33333333333333 0.66666666666667 0.79051989851587 132.905 > 1 6 Cs 0.00000000000000 0.00000000000000 0.87614676815080 132.905 > 2 *7 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 3 8 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 4 *9 Te 0.33333333333333 0.66666666666667 0.16666666666667 127.600 > 5 10 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 6 11 Te 0.16666666666667 0.83333333333333 0.33333333333333 127.600 > 3 12 Te 0.66666666666667 0.83333333333333 0.33333333333333 127.600 > 4 13 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 5 14 Te 0.16666666666667 0.33333333333333 0.33333333333333 127.600 > 6 15 Te 0.83333333333333 0.16666666666667 0.66666666666667 127.600 > 3 16 Te 0.33333333333333 0.16666666666667 0.66666666666667 127.600 > 4 17 Te 0.66666666666667 0.33333333333333 0.83333333333333 127.600 > 5 18 Te 0.83333333333333 0.66666666666667 0.66666666666667 127.600 > 6 *19 O 0.79722401699053 0.59444803398107 0.02075208062212 15.999 > 7 *20 O 0.46665323685890 0.93330647371781 0.10360783051985 15.999 > 8 21 O 0.86944264967613 0.13055735032387 0.31258125271121 15.999 > 9 22 O 0.79722401699053 0.20277598300947 0.02075208062212 15.999 > 10 23 O 0.06669352628219 0.53334676314110 0.10360783051985 15.999 > 11 24 O 0.86944264967614 0.73888529935227 0.31258125271121 15.999 > 12 25 O 0.46665323685890 0.53334676314110 0.10360783051985 15.999 > 13 26 O 0.20001342980776 0.79998657019224 0.22972550281348 15.999 > 14 27 O 0.26111470064773 0.13055735032387 0.31258125271121 15.999 > 15 28 O 0.59997314038447 0.79998657019224 0.22972550281348 15.999 > 16 29 O 0.20001342980776 0.40002685961553 0.22972550281348 15.999 > 17 30 O 0.40555196601894 0.20277598300947 0.02075208062212 15.999 > 18 31 O 0.46389068365720 0.92778136731440 0.35408541395546 15.999 > 7 32 O 0.13331990352557 0.26663980705114 0.43694116385318 15.999 > 8 33 O 0.53610931634280 0.46389068365720 0.64591458604454 15.999 > 9 34 O 0.46389068365720 0.53610931634280 0.35408541395546 15.999 > 10 35 O 0.73336019294886 0.86668009647443 0.43694116385318 15.999 > 11 36 O 0.53610931634280 0.07221863268560 0.64591458604454 15.999 > 12 37 O 0.13331990352557 0.86668009647443 0.43694116385318 15.999 > 13 38 O 0.86668009647443 0.13331990352557 0.56305883614682 15.999 > 14 39 O 0.92778136731440 0.46389068365720 0.64591458604454 15.999 > 15 40 O 0.26663980705114 0.13331990352557 0.56305883614682 15.999 > 16 41 O 0.86668009647443 0.73336019294886 0.56305883614682 15.999 > 17 42 O 0.07221863268560 0.53610931634280 0.35408541395546 15.999 > 18 43 O 0.13055735032387 0.26111470064773 0.68741874728879 15.999 > 7 44 O 0.79998657019224 0.59997314038447 0.77027449718652 15.999 > 8 45 O 0.20277598300947 0.79722401699053 0.97924791937788 15.999 > 9 46 O 0.13055735032387 0.86944264967614 0.68741874728879 15.999 > 10 47 O 0.40002685961553 0.20001342980776 0.77027449718652 15.999 > 11 48 O 0.20277598300947 0.40555196601894 0.97924791937788 15.999 > 12 49 O 0.79998657019224 0.20001342980776 0.77027449718652 15.999 > 13 50 O 0.53334676314110 0.46665323685890 0.89639216948015 15.999 > 14 51 O 0.59444803398107 0.79722401699053 0.97924791937788 15.999 > 15 52 O 0.93330647371781 0.46665323685890 0.89639216948015 15.999 > 16 53 O 0.53334676314110 0.06669352628219 0.89639216948015 15.999 > 17 54 O 0.73888529935227 0.86944264967613 0.68741874728879 15.999 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.1659209 0.0000000 0.0000000 0.0000000 10.1659209 0.0000000 0.0000000 0.0000000 17.9870704 -------------------------- Born effective charges -------------------------- 1 Cs 1.4466685 -0.0000000 -0.0000000 0.0000000 1.4466685 0.0000000 0.0000000 0.0000000 1.3385432 2 Cs 1.4466685 -0.0000000 -0.0000000 0.0000000 1.4466685 0.0000000 0.0000000 0.0000000 1.3385432 3 Te 6.7445134 -0.0524133 -1.0238817 -0.0524133 6.6839917 0.5911384 1.3364003 -0.7715711 4.1830130 4 Te 6.7445134 0.0524133 1.0238817 0.0524133 6.6839917 0.5911384 -1.3364003 -0.7715711 4.1830130 5 Te 4.9987334 -0.0000000 -0.0000000 0.0000000 4.9987334 0.0000000 0.0000000 0.0000000 10.9602657 6 Te 6.6537308 -0.0000000 -0.0000000 0.0000000 6.7747742 -1.1822767 0.0000000 1.5431422 4.1830130 7 O -4.8332366 -0.0000000 -0.0000000 0.0000000 -1.3848867 -0.2637627 0.0000000 0.2913185 -1.1292671 8 O -1.2337405 -0.0000000 -0.0000000 0.0000000 -1.8930789 2.3057846 0.0000000 -0.5857906 -3.2351314 9 O -2.2469742 -1.4931793 -0.2284252 -1.4931793 -3.9711491 0.1318814 0.2522892 -0.1456592 -1.1292671 10 O -2.2469742 -1.4931793 -0.2284252 -1.4931793 -3.9711491 0.1318814 0.2522892 -0.1456592 -1.1292671 11 O -1.7282443 -0.2855019 -1.9968680 -0.2855019 -1.3985751 -1.1528923 0.5073095 0.2928953 -3.2351314 12 O -4.8332366 -0.0000000 -0.0000000 0.0000000 -1.3848867 -0.2637627 0.0000000 0.2913185 -1.1292671 13 O -1.7282443 0.2855019 1.9968680 0.2855019 -1.3985751 -1.1528923 -0.5073095 0.2928953 -3.2351314 14 O -1.7282443 0.2855019 1.9968680 0.2855019 -1.3985751 -1.1528923 -0.5073095 0.2928953 -3.2351314 15 O -2.2469742 1.4931793 0.2284252 1.4931793 -3.9711491 0.1318814 -0.2522892 -0.1456592 -1.1292671 16 O -1.7282443 -0.2855019 -1.9968680 -0.2855019 -1.3985751 -1.1528923 0.5073095 0.2928953 -3.2351314 17 O -1.2337405 -0.0000000 -0.0000000 0.0000000 -1.8930789 2.3057846 0.0000000 -0.5857906 -3.2351314 18 O -2.2469742 1.4931793 0.2284252 1.4931793 -3.9711491 0.1318814 -0.2522892 -0.1456592 -1.1292671 ---------------------------------------------------------------------------- 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: 162/162 Permutation basis: 5823/5823 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 431 Number of blocks in projector: 298 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: 190 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 81 Use standard eigh solver. Tree of FC basis block matrices: - (431, 412), data: False |-- (81, 76), data: True |-- (160, 154), data: True |-- (190, 182), data: True ----- Solver_atoms: 1 -- 54 / 54 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.213 Solver_block: 200 / 240 - Time: 0.164 Solver_block: 240 / 240 - Time: 0.074 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.460 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 162/162 Permutation basis: 5823/5823 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 431 Number of blocks in projector: 298 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: 190 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 81 Use standard eigh solver. Tree of FC basis block matrices: - (431, 412), data: False |-- (81, 76), data: True |-- (160, 154), data: True |-- (190, 182), 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 17:28:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:28:25]------------------------- 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): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.679213065527312 2.124194653788178 6.089609666666660 b -3.679213065527305 2.124194653788178 6.089609666666660 c 0.000000000000004 -4.248389307576363 6.089609666666660 Atomic positions (fractional): 1 Cs 0.12385323184920 0.12385323184920 0.12385323184920 132.905 2 Cs 0.87614676815080 0.87614676815080 0.87614676815080 132.905 3 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 4 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 5 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 6 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 7 O 0.81797609761266 0.81797609761266 0.42630404664106 15.999 8 O 0.57026106737875 0.57026106737875 0.17030135680204 15.999 9 O 0.18202390238734 0.57369595335894 0.18202390238734 15.999 10 O 0.81797609761266 0.42630404664106 0.81797609761266 15.999 11 O 0.17030135680204 0.57026106737875 0.57026106737875 15.999 12 O 0.18202390238734 0.18202390238734 0.57369595335894 15.999 13 O 0.57026106737875 0.17030135680204 0.57026106737875 15.999 14 O 0.42973893262125 0.82969864319796 0.42973893262125 15.999 15 O 0.57369595335894 0.18202390238734 0.18202390238734 15.999 16 O 0.82969864319796 0.42973893262125 0.42973893262125 15.999 17 O 0.42973893262125 0.42973893262125 0.82969864319796 15.999 18 O 0.42630404664106 0.81797609761266 0.81797609761266 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.358426131054618 0.000000000000000 0.000000000000000 b -3.679213065527309 6.372583961364541 0.000000000000000 c 0.000000000000000 0.000000000000000 18.268829000000000 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.12385323184920 132.905 > 1 2 Cs 0.66666666666667 0.33333333333333 0.20948010148413 132.905 > 2 3 Cs 0.66666666666667 0.33333333333333 0.45718656518253 132.905 > 1 4 Cs 0.33333333333333 0.66666666666667 0.54281343481747 132.905 > 2 5 Cs 0.33333333333333 0.66666666666667 0.79051989851587 132.905 > 1 6 Cs 0.00000000000000 0.00000000000000 0.87614676815080 132.905 > 2 7 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 7 8 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 8 9 Te 0.33333333333333 0.66666666666667 0.16666666666667 127.600 > 9 10 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 10 11 Te 0.16666666666667 0.83333333333333 0.33333333333333 127.600 > 7 12 Te 0.66666666666667 0.83333333333333 0.33333333333333 127.600 > 8 13 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 9 14 Te 0.16666666666667 0.33333333333333 0.33333333333333 127.600 > 10 15 Te 0.83333333333333 0.16666666666667 0.66666666666667 127.600 > 7 16 Te 0.33333333333333 0.16666666666667 0.66666666666667 127.600 > 8 17 Te 0.66666666666667 0.33333333333333 0.83333333333333 127.600 > 9 18 Te 0.83333333333333 0.66666666666667 0.66666666666667 127.600 > 10 19 O 0.79722401699053 0.59444803398107 0.02075208062212 15.999 > 19 20 O 0.46665323685890 0.93330647371781 0.10360783051985 15.999 > 20 21 O 0.86944264967613 0.13055735032387 0.31258125271121 15.999 > 21 22 O 0.79722401699053 0.20277598300947 0.02075208062212 15.999 > 22 23 O 0.06669352628219 0.53334676314110 0.10360783051985 15.999 > 23 24 O 0.86944264967614 0.73888529935227 0.31258125271121 15.999 > 24 25 O 0.46665323685890 0.53334676314110 0.10360783051985 15.999 > 25 26 O 0.20001342980776 0.79998657019224 0.22972550281348 15.999 > 26 27 O 0.26111470064773 0.13055735032387 0.31258125271121 15.999 > 27 28 O 0.59997314038447 0.79998657019224 0.22972550281348 15.999 > 28 29 O 0.20001342980776 0.40002685961553 0.22972550281348 15.999 > 29 30 O 0.40555196601894 0.20277598300947 0.02075208062212 15.999 > 30 31 O 0.46389068365720 0.92778136731440 0.35408541395546 15.999 > 19 32 O 0.13331990352557 0.26663980705114 0.43694116385318 15.999 > 20 33 O 0.53610931634280 0.46389068365720 0.64591458604454 15.999 > 21 34 O 0.46389068365720 0.53610931634280 0.35408541395546 15.999 > 22 35 O 0.73336019294886 0.86668009647443 0.43694116385318 15.999 > 23 36 O 0.53610931634280 0.07221863268560 0.64591458604454 15.999 > 24 37 O 0.13331990352557 0.86668009647443 0.43694116385318 15.999 > 25 38 O 0.86668009647443 0.13331990352557 0.56305883614682 15.999 > 26 39 O 0.92778136731440 0.46389068365720 0.64591458604454 15.999 > 27 40 O 0.26663980705114 0.13331990352557 0.56305883614682 15.999 > 28 41 O 0.86668009647443 0.73336019294886 0.56305883614682 15.999 > 29 42 O 0.07221863268560 0.53610931634280 0.35408541395546 15.999 > 30 43 O 0.13055735032387 0.26111470064773 0.68741874728879 15.999 > 19 44 O 0.79998657019224 0.59997314038447 0.77027449718652 15.999 > 20 45 O 0.20277598300947 0.79722401699053 0.97924791937788 15.999 > 21 46 O 0.13055735032387 0.86944264967614 0.68741874728879 15.999 > 22 47 O 0.40002685961553 0.20001342980776 0.77027449718652 15.999 > 23 48 O 0.20277598300947 0.40555196601894 0.97924791937788 15.999 > 24 49 O 0.79998657019224 0.20001342980776 0.77027449718652 15.999 > 25 50 O 0.53334676314110 0.46665323685890 0.89639216948015 15.999 > 26 51 O 0.59444803398107 0.79722401699053 0.97924791937788 15.999 > 27 52 O 0.93330647371781 0.46665323685890 0.89639216948015 15.999 > 28 53 O 0.53334676314110 0.06669352628219 0.89639216948015 15.999 > 29 54 O 0.73888529935227 0.86944264967613 0.68741874728879 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.1659209 0.0000000 0.0000000 0.0000000 10.1659209 0.0000000 0.0000000 0.0000000 17.9870704 -------------------------- Born effective charges -------------------------- 1 Cs 1.4466685 -0.0000000 -0.0000000 0.0000000 1.4466685 0.0000000 0.0000000 0.0000000 1.3385432 2 Cs 1.4466685 -0.0000000 -0.0000000 0.0000000 1.4466685 0.0000000 0.0000000 0.0000000 1.3385432 3 Te 6.7445134 -0.0524133 -1.0238817 -0.0524133 6.6839917 0.5911384 1.3364003 -0.7715711 4.1830130 4 Te 6.7445134 0.0524133 1.0238817 0.0524133 6.6839917 0.5911384 -1.3364003 -0.7715711 4.1830130 5 Te 4.9987334 -0.0000000 -0.0000000 0.0000000 4.9987334 0.0000000 0.0000000 0.0000000 10.9602657 6 Te 6.6537308 -0.0000000 -0.0000000 0.0000000 6.7747742 -1.1822767 0.0000000 1.5431422 4.1830130 7 O -4.8332366 -0.0000000 -0.0000000 0.0000000 -1.3848867 -0.2637627 0.0000000 0.2913185 -1.1292671 8 O -1.2337405 -0.0000000 -0.0000000 0.0000000 -1.8930789 2.3057846 0.0000000 -0.5857906 -3.2351314 9 O -2.2469742 -1.4931793 -0.2284252 -1.4931793 -3.9711491 0.1318814 0.2522892 -0.1456592 -1.1292671 10 O -2.2469742 -1.4931793 -0.2284252 -1.4931793 -3.9711491 0.1318814 0.2522892 -0.1456592 -1.1292671 11 O -1.7282443 -0.2855019 -1.9968680 -0.2855019 -1.3985751 -1.1528923 0.5073095 0.2928953 -3.2351314 12 O -4.8332366 -0.0000000 -0.0000000 0.0000000 -1.3848867 -0.2637627 0.0000000 0.2913185 -1.1292671 13 O -1.7282443 0.2855019 1.9968680 0.2855019 -1.3985751 -1.1528923 -0.5073095 0.2928953 -3.2351314 14 O -1.7282443 0.2855019 1.9968680 0.2855019 -1.3985751 -1.1528923 -0.5073095 0.2928953 -3.2351314 15 O -2.2469742 1.4931793 0.2284252 1.4931793 -3.9711491 0.1318814 -0.2522892 -0.1456592 -1.1292671 16 O -1.7282443 -0.2855019 -1.9968680 -0.2855019 -1.3985751 -1.1528923 0.5073095 0.2928953 -3.2351314 17 O -1.2337405 -0.0000000 -0.0000000 0.0000000 -1.8930789 2.3057846 0.0000000 -0.5857906 -3.2351314 18 O -2.2469742 1.4931793 0.2284252 1.4931793 -3.9711491 0.1318814 -0.2522892 -0.1456592 -1.1292671 ---------------------------------------------------------------------------- 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[ 7, 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 20, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-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: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) 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 17:28:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:28:30]------------------------- 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): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.679213065527312 2.124194653788178 6.089609666666660 b -3.679213065527305 2.124194653788178 6.089609666666660 c 0.000000000000004 -4.248389307576363 6.089609666666660 Atomic positions (fractional): 1 Cs 0.12385323184920 0.12385323184920 0.12385323184920 132.905 2 Cs 0.87614676815080 0.87614676815080 0.87614676815080 132.905 3 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 4 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 5 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 6 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 7 O 0.81797609761266 0.81797609761266 0.42630404664106 15.999 8 O 0.57026106737875 0.57026106737875 0.17030135680204 15.999 9 O 0.18202390238734 0.57369595335894 0.18202390238734 15.999 10 O 0.81797609761266 0.42630404664106 0.81797609761266 15.999 11 O 0.17030135680204 0.57026106737875 0.57026106737875 15.999 12 O 0.18202390238734 0.18202390238734 0.57369595335894 15.999 13 O 0.57026106737875 0.17030135680204 0.57026106737875 15.999 14 O 0.42973893262125 0.82969864319796 0.42973893262125 15.999 15 O 0.57369595335894 0.18202390238734 0.18202390238734 15.999 16 O 0.82969864319796 0.42973893262125 0.42973893262125 15.999 17 O 0.42973893262125 0.42973893262125 0.82969864319796 15.999 18 O 0.42630404664106 0.81797609761266 0.81797609761266 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.358426131054618 0.000000000000000 0.000000000000000 b -3.679213065527309 6.372583961364541 0.000000000000000 c 0.000000000000000 0.000000000000000 18.268829000000000 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.12385323184920 132.905 > 1 2 Cs 0.66666666666667 0.33333333333333 0.20948010148413 132.905 > 2 3 Cs 0.66666666666667 0.33333333333333 0.45718656518253 132.905 > 1 4 Cs 0.33333333333333 0.66666666666667 0.54281343481747 132.905 > 2 5 Cs 0.33333333333333 0.66666666666667 0.79051989851587 132.905 > 1 6 Cs 0.00000000000000 0.00000000000000 0.87614676815080 132.905 > 2 7 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 7 8 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 8 9 Te 0.33333333333333 0.66666666666667 0.16666666666667 127.600 > 9 10 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 10 11 Te 0.16666666666667 0.83333333333333 0.33333333333333 127.600 > 7 12 Te 0.66666666666667 0.83333333333333 0.33333333333333 127.600 > 8 13 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 9 14 Te 0.16666666666667 0.33333333333333 0.33333333333333 127.600 > 10 15 Te 0.83333333333333 0.16666666666667 0.66666666666667 127.600 > 7 16 Te 0.33333333333333 0.16666666666667 0.66666666666667 127.600 > 8 17 Te 0.66666666666667 0.33333333333333 0.83333333333333 127.600 > 9 18 Te 0.83333333333333 0.66666666666667 0.66666666666667 127.600 > 10 19 O 0.79722401699053 0.59444803398107 0.02075208062212 15.999 > 19 20 O 0.46665323685890 0.93330647371781 0.10360783051985 15.999 > 20 21 O 0.86944264967613 0.13055735032387 0.31258125271121 15.999 > 21 22 O 0.79722401699053 0.20277598300947 0.02075208062212 15.999 > 22 23 O 0.06669352628219 0.53334676314110 0.10360783051985 15.999 > 23 24 O 0.86944264967614 0.73888529935227 0.31258125271121 15.999 > 24 25 O 0.46665323685890 0.53334676314110 0.10360783051985 15.999 > 25 26 O 0.20001342980776 0.79998657019224 0.22972550281348 15.999 > 26 27 O 0.26111470064773 0.13055735032387 0.31258125271121 15.999 > 27 28 O 0.59997314038447 0.79998657019224 0.22972550281348 15.999 > 28 29 O 0.20001342980776 0.40002685961553 0.22972550281348 15.999 > 29 30 O 0.40555196601894 0.20277598300947 0.02075208062212 15.999 > 30 31 O 0.46389068365720 0.92778136731440 0.35408541395546 15.999 > 19 32 O 0.13331990352557 0.26663980705114 0.43694116385318 15.999 > 20 33 O 0.53610931634280 0.46389068365720 0.64591458604454 15.999 > 21 34 O 0.46389068365720 0.53610931634280 0.35408541395546 15.999 > 22 35 O 0.73336019294886 0.86668009647443 0.43694116385318 15.999 > 23 36 O 0.53610931634280 0.07221863268560 0.64591458604454 15.999 > 24 37 O 0.13331990352557 0.86668009647443 0.43694116385318 15.999 > 25 38 O 0.86668009647443 0.13331990352557 0.56305883614682 15.999 > 26 39 O 0.92778136731440 0.46389068365720 0.64591458604454 15.999 > 27 40 O 0.26663980705114 0.13331990352557 0.56305883614682 15.999 > 28 41 O 0.86668009647443 0.73336019294886 0.56305883614682 15.999 > 29 42 O 0.07221863268560 0.53610931634280 0.35408541395546 15.999 > 30 43 O 0.13055735032387 0.26111470064773 0.68741874728879 15.999 > 19 44 O 0.79998657019224 0.59997314038447 0.77027449718652 15.999 > 20 45 O 0.20277598300947 0.79722401699053 0.97924791937788 15.999 > 21 46 O 0.13055735032387 0.86944264967614 0.68741874728879 15.999 > 22 47 O 0.40002685961553 0.20001342980776 0.77027449718652 15.999 > 23 48 O 0.20277598300947 0.40555196601894 0.97924791937788 15.999 > 24 49 O 0.79998657019224 0.20001342980776 0.77027449718652 15.999 > 25 50 O 0.53334676314110 0.46665323685890 0.89639216948015 15.999 > 26 51 O 0.59444803398107 0.79722401699053 0.97924791937788 15.999 > 27 52 O 0.93330647371781 0.46665323685890 0.89639216948015 15.999 > 28 53 O 0.53334676314110 0.06669352628219 0.89639216948015 15.999 > 29 54 O 0.73888529935227 0.86944264967613 0.68741874728879 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.1659209 0.0000000 0.0000000 0.0000000 10.1659209 0.0000000 0.0000000 0.0000000 17.9870704 -------------------------- Born effective charges -------------------------- 1 Cs 1.4466685 -0.0000000 -0.0000000 0.0000000 1.4466685 0.0000000 0.0000000 0.0000000 1.3385432 2 Cs 1.4466685 -0.0000000 -0.0000000 0.0000000 1.4466685 0.0000000 0.0000000 0.0000000 1.3385432 3 Te 6.7445134 -0.0524133 -1.0238817 -0.0524133 6.6839917 0.5911384 1.3364003 -0.7715711 4.1830130 4 Te 6.7445134 0.0524133 1.0238817 0.0524133 6.6839917 0.5911384 -1.3364003 -0.7715711 4.1830130 5 Te 4.9987334 -0.0000000 -0.0000000 0.0000000 4.9987334 0.0000000 0.0000000 0.0000000 10.9602657 6 Te 6.6537308 -0.0000000 -0.0000000 0.0000000 6.7747742 -1.1822767 0.0000000 1.5431422 4.1830130 7 O -4.8332366 -0.0000000 -0.0000000 0.0000000 -1.3848867 -0.2637627 0.0000000 0.2913185 -1.1292671 8 O -1.2337405 -0.0000000 -0.0000000 0.0000000 -1.8930789 2.3057846 0.0000000 -0.5857906 -3.2351314 9 O -2.2469742 -1.4931793 -0.2284252 -1.4931793 -3.9711491 0.1318814 0.2522892 -0.1456592 -1.1292671 10 O -2.2469742 -1.4931793 -0.2284252 -1.4931793 -3.9711491 0.1318814 0.2522892 -0.1456592 -1.1292671 11 O -1.7282443 -0.2855019 -1.9968680 -0.2855019 -1.3985751 -1.1528923 0.5073095 0.2928953 -3.2351314 12 O -4.8332366 -0.0000000 -0.0000000 0.0000000 -1.3848867 -0.2637627 0.0000000 0.2913185 -1.1292671 13 O -1.7282443 0.2855019 1.9968680 0.2855019 -1.3985751 -1.1528923 -0.5073095 0.2928953 -3.2351314 14 O -1.7282443 0.2855019 1.9968680 0.2855019 -1.3985751 -1.1528923 -0.5073095 0.2928953 -3.2351314 15 O -2.2469742 1.4931793 0.2284252 1.4931793 -3.9711491 0.1318814 -0.2522892 -0.1456592 -1.1292671 16 O -1.7282443 -0.2855019 -1.9968680 -0.2855019 -1.3985751 -1.1528923 0.5073095 0.2928953 -3.2351314 17 O -1.2337405 -0.0000000 -0.0000000 0.0000000 -1.8930789 2.3057846 0.0000000 -0.5857906 -3.2351314 18 O -2.2469742 1.4931793 0.2284252 1.4931793 -3.9711491 0.1318814 -0.2522892 -0.1456592 -1.1292671 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (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 ... [ 8 8 8 ] 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: 0.63, Number of G-points: 307, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/65) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.475 ( 0.000 0.000 0.000) 0.000 1.490 ( 0.000 0.000 0.000) 0.000 1.490 ( 0.000 0.000 0.000) 0.000 1.509 ( 0.000 0.000 0.000) 0.000 1.509 ( 0.000 0.000 0.000) 0.000 1.518 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 4.305 ( 0.000 0.000 0.000) 0.000 4.305 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 5.764 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 6.199 ( 0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 7.492 ( 0.000 0.000 0.000) 0.000 7.492 ( 0.000 0.000 0.000) 0.000 8.379 ( 0.000 0.000 0.000) 0.000 9.334 ( 0.000 0.000 0.000) 0.000 9.334 ( 0.000 0.000 0.000) 0.000 9.689 ( 0.000 0.000 0.000) 0.000 9.689 ( 0.000 0.000 0.000) 0.000 9.921 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000 11.045 ( 0.000 0.000 0.000) 0.000 11.045 ( 0.000 0.000 0.000) 0.000 11.674 ( 0.000 0.000 0.000) 0.000 11.715 ( 0.000 0.000 0.000) 0.000 11.715 ( 0.000 0.000 0.000) 0.000 12.190 ( 0.000 0.000 0.000) 0.000 12.585 ( 0.000 0.000 0.000) 0.000 13.268 ( 0.000 0.000 0.000) 0.000 13.268 ( 0.000 0.000 0.000) 0.000 13.836 ( 0.000 0.000 0.000) 0.000 15.985 ( 0.000 0.000 0.000) 0.000 16.260 ( 0.000 0.000 0.000) 0.000 16.260 ( 0.000 0.000 0.000) 0.000 17.266 ( 0.000 0.000 0.000) 0.000 17.266 ( 0.000 0.000 0.000) 0.000 17.503 ( 0.000 0.000 0.000) 0.000 17.978 ( 0.000 0.000 0.000) 0.000 17.978 ( 0.000 0.000 0.000) 0.000 18.218 ( 0.000 0.000 0.000) 0.000 18.218 ( 0.000 0.000 0.000) 0.000 19.184 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/65) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 20.290 11.715 -4.685) 23.893 0.656 ( 24.183 13.962 3.039) 28.089 1.049 ( 28.886 16.677 7.416) 34.169 1.482 ( 0.693 0.400 -0.477) 0.931 1.490 ( -0.058 -0.033 -0.570) 0.574 1.491 ( -1.137 -0.657 -0.133) 1.320 1.556 ( 5.677 3.278 -0.150) 6.557 1.572 ( 3.845 2.220 -3.236) 5.494 1.841 ( 23.222 13.407 4.164) 27.136 3.328 ( -4.462 -2.576 -1.129) 5.274 3.353 ( -16.133 -9.314 13.148) 22.801 3.371 ( -9.789 -5.652 -8.178) 13.951 4.311 ( 0.496 0.286 -5.123) 5.155 4.462 ( 9.314 5.377 2.542) 11.051 4.643 ( -4.813 -2.779 2.066) 5.929 4.682 ( -3.064 -1.769 -1.690) 3.921 5.174 ( -0.024 -0.014 12.304) 12.304 5.647 ( -8.918 -5.149 -0.142) 10.299 5.682 ( -2.272 -1.312 25.014) 25.152 5.772 ( -0.790 -0.456 1.252) 1.549 6.140 ( -3.259 -1.882 0.081) 3.764 6.164 ( 21.376 12.342 4.809) 25.147 6.294 ( -0.087 -0.051 2.254) 2.256 6.484 ( -2.257 -1.303 -3.787) 4.597 7.542 ( 3.549 2.049 2.353) 4.726 7.704 ( 14.810 8.550 1.518) 17.168 8.360 ( -0.997 -0.576 -1.700) 2.054 9.222 ( -2.695 -1.556 -9.930) 10.406 9.316 ( -3.366 -1.943 6.023) 7.168 9.712 ( -1.997 -1.153 -3.452) 4.151 9.865 ( 9.949 5.744 6.482) 13.190 9.909 ( 4.241 2.448 -2.830) 5.656 10.268 ( -2.026 -1.170 16.603) 16.767 11.031 ( -2.395 -1.383 3.604) 4.543 11.472 ( -4.246 -2.452 -15.830) 16.572 11.734 ( 2.152 1.243 -1.188) 2.755 11.804 ( 0.959 0.554 0.008) 1.107 11.854 ( 5.214 3.010 -22.353) 23.149 12.315 ( 7.194 4.153 6.478) 10.534 12.651 ( -5.520 -3.187 17.604) 18.723 13.192 ( -6.916 -3.993 0.897) 8.036 13.424 ( -0.973 -0.562 -9.147) 9.215 13.883 ( 1.798 1.038 8.114) 8.376 15.957 ( -6.757 -3.901 8.812) 11.770 16.291 ( 2.239 1.292 1.298) 2.893 16.818 ( -4.058 -2.343 -37.512) 37.804 17.254 ( -1.719 -0.993 1.954) 2.785 17.442 ( -4.702 -2.715 0.639) 5.467 17.522 ( 8.369 4.832 17.301) 19.817 18.008 ( 2.843 1.642 -5.008) 5.989 18.247 ( 2.859 1.651 0.774) 3.391 18.270 ( 3.238 1.869 3.243) 4.950 19.160 ( -2.066 -1.193 0.028) 2.386 19.234 ( 18.152 10.480 -70.153) 73.217 ======================= Grid point 2 (3/65) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 7.692 4.441 -11.824) 14.788 1.071 ( 11.355 6.556 1.094) 13.157 1.359 ( 4.656 2.688 -2.430) 5.900 1.449 ( -2.025 -1.169 -1.536) 2.798 1.485 ( -0.145 -0.084 -2.072) 2.079 1.504 ( 1.195 0.690 -0.601) 1.505 1.573 ( -0.887 -0.512 -7.462) 7.532 1.729 ( 6.985 4.033 1.096) 8.140 2.673 ( 37.730 21.784 3.989) 43.750 3.044 ( -11.009 -6.356 -7.345) 14.682 3.248 ( -3.397 -1.961 31.292) 31.537 3.289 ( 2.898 1.673 -4.524) 5.627 4.252 ( -2.908 -1.679 -2.240) 4.037 4.439 ( -11.326 -6.539 7.111) 14.886 4.562 ( -5.358 -3.093 -4.792) 7.826 4.749 ( 10.364 5.983 -2.647) 12.256 5.317 ( 3.383 1.953 10.786) 11.472 5.415 ( -10.356 -5.979 1.126) 12.011 5.759 ( -0.971 -0.561 0.939) 1.463 5.760 ( 2.579 1.489 4.798) 5.647 6.102 ( 0.259 0.150 -1.114) 1.154 6.299 ( -1.844 -1.065 4.847) 5.294 6.359 ( -4.033 -2.329 -3.067) 5.576 6.791 ( 21.508 12.417 12.669) 27.880 7.689 ( 8.467 4.888 2.317) 10.048 8.015 ( 9.129 5.271 1.367) 10.630 8.329 ( -0.876 -0.506 0.784) 1.280 9.193 ( 6.907 3.988 -8.832) 11.900 9.262 ( -6.393 -3.691 3.106) 8.008 9.525 ( -7.251 -4.186 -5.706) 10.132 10.101 ( 8.489 4.901 3.618) 10.448 10.151 ( 11.599 6.696 4.129) 14.015 10.325 ( -2.368 -1.367 16.905) 17.125 10.978 ( -5.131 -2.962 5.288) 7.941 11.286 ( -3.857 -2.227 -11.106) 11.966 11.739 ( -1.272 -0.735 -7.920) 8.055 11.801 ( 4.678 2.701 -1.651) 5.649 11.863 ( 1.066 0.615 -4.155) 4.333 12.487 ( 0.532 0.307 9.402) 9.422 12.681 ( 1.220 0.705 9.901) 10.000 12.977 ( -12.349 -7.130 1.422) 14.330 13.330 ( -2.096 -1.210 -6.102) 6.564 14.043 ( 4.804 2.774 18.331) 19.152 15.840 ( -8.271 -4.775 7.097) 11.898 16.371 ( 3.565 2.058 2.046) 4.597 16.464 ( -3.099 -1.789 -40.413) 40.571 17.207 ( -2.372 -1.369 -2.392) 3.636 17.344 ( -5.261 -3.037 5.772) 8.380 17.809 ( 7.447 4.299 12.433) 15.117 18.006 ( 0.614 0.355 -6.002) 6.044 18.361 ( 6.429 3.712 -0.144) 7.425 18.383 ( 4.021 2.322 3.718) 5.948 19.095 ( -3.639 -2.101 0.341) 4.216 19.144 ( 5.237 3.024 -32.494) 33.052 ======================= Grid point 3 (4/65) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -4.910 -2.835 -21.212) 21.956 1.245 ( 4.758 2.747 0.205) 5.498 1.348 ( -1.919 -1.108 -3.796) 4.395 1.385 ( -2.307 -1.332 -1.803) 3.216 1.464 ( 1.445 0.834 -2.295) 2.837 1.519 ( 0.164 0.095 1.004) 1.022 1.540 ( -0.203 -0.117 0.315) 0.393 1.783 ( -2.227 -1.286 0.035) 2.572 2.811 ( -5.437 -3.139 -4.769) 7.884 3.346 ( 20.658 11.927 -0.064) 23.854 3.468 ( 14.991 8.655 -4.046) 17.777 3.605 ( 11.959 6.904 25.927) 29.375 4.154 ( -5.313 -3.068 -0.208) 6.139 4.183 ( -15.601 -9.007 7.568) 19.540 4.380 ( -6.566 -3.791 -6.186) 9.785 4.903 ( 5.684 3.282 -7.649) 10.079 5.247 ( -5.891 -3.401 5.811) 8.946 5.436 ( 1.490 0.860 7.653) 7.844 5.744 ( -0.671 -0.387 0.256) 0.816 5.896 ( 7.665 4.425 -0.379) 8.859 6.131 ( 3.601 2.079 -3.827) 5.652 6.233 ( -5.823 -3.362 -1.090) 6.812 6.269 ( -4.237 -2.447 6.301) 7.978 7.218 ( 9.746 5.627 6.132) 12.816 7.965 ( 13.583 7.842 2.911) 15.953 8.117 ( 0.939 0.542 -0.142) 1.094 8.350 ( 0.779 0.450 4.967) 5.048 8.968 ( -14.851 -8.575 -9.569) 19.638 9.372 ( 10.091 5.826 -3.979) 12.313 9.452 ( 0.186 0.107 2.102) 2.113 10.172 ( -4.244 -2.450 6.784) 8.369 10.433 ( 11.663 6.733 0.516) 13.477 10.507 ( 9.069 5.236 9.111) 13.881 10.866 ( -7.857 -4.536 4.764) 10.247 11.139 ( -3.414 -1.971 -8.616) 9.475 11.682 ( 0.542 0.313 -4.828) 4.868 11.814 ( -3.902 -2.253 -0.722) 4.563 11.924 ( 6.815 3.934 -1.443) 8.000 12.500 ( -1.897 -1.095 5.766) 6.168 12.684 ( -13.203 -7.623 1.404) 15.310 12.787 ( 2.107 1.217 4.338) 4.974 13.262 ( -1.015 -0.586 -3.335) 3.534 14.341 ( 7.260 4.191 24.054) 25.473 15.670 ( -8.359 -4.826 -1.963) 9.850 16.170 ( -1.030 -0.595 -27.581) 27.607 16.463 ( 2.890 1.669 1.827) 3.804 17.131 ( -1.317 -0.761 -5.638) 5.839 17.288 ( -3.888 -2.245 7.767) 8.971 17.974 ( -0.099 -0.057 -3.910) 3.911 18.011 ( 4.316 2.492 6.582) 8.256 18.483 ( 2.679 1.547 2.394) 3.912 18.503 ( 5.744 3.317 -0.940) 6.699 19.011 ( -3.729 -2.153 0.672) 4.358 19.046 ( 1.037 0.599 -15.302) 15.349 ======================= Grid point 4 (5/65) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 0.000 0.000 -0.000) 0.000 1.304 ( -0.000 -0.000 -0.000) 0.000 1.315 ( 0.000 0.000 0.000) 0.000 1.345 ( 0.000 0.000 0.000) 0.000 1.479 ( 0.000 0.000 -0.000) 0.000 1.527 ( -0.000 -0.000 0.000) 0.000 1.536 ( 0.000 0.000 -0.000) 0.000 1.734 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 -0.000) 0.000 3.644 ( -0.000 -0.000 0.000) 0.000 3.806 ( -0.000 -0.000 0.000) 0.000 3.842 ( 0.000 0.000 -0.000) 0.000 3.865 ( 0.000 0.000 -0.000) 0.000 4.055 ( 0.000 0.000 -0.000) 0.000 4.260 ( 0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 5.212 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 -0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 6.070 ( -0.000 -0.000 0.000) 0.000 6.080 ( 0.000 0.000 -0.000) 0.000 6.200 ( -0.000 -0.000 0.000) 0.000 6.202 ( 0.000 0.000 -0.000) 0.000 7.342 ( 0.000 0.000 0.000) 0.000 8.119 ( 0.000 0.000 0.000) 0.000 8.230 ( 0.000 0.000 -0.000) 0.000 8.365 ( 0.000 0.000 0.000) 0.000 8.679 ( 0.000 0.000 0.000) 0.000 9.473 ( 0.000 0.000 0.000) 0.000 9.487 ( 0.000 0.000 0.000) 0.000 10.130 ( 0.000 0.000 -0.000) 0.000 10.652 ( 0.000 0.000 -0.000) 0.000 10.687 ( -0.000 -0.000 -0.000) 0.000 10.711 ( -0.000 -0.000 0.000) 0.000 11.043 ( 0.000 0.000 -0.000) 0.000 11.707 ( -0.000 -0.000 0.000) 0.000 11.718 ( 0.000 0.000 -0.000) 0.000 12.028 ( 0.000 0.000 0.000) 0.000 12.501 ( 0.000 0.000 0.000) 0.000 12.502 ( 0.000 0.000 0.000) 0.000 12.823 ( 0.000 0.000 -0.000) 0.000 13.239 ( 0.000 0.000 0.000) 0.000 14.554 ( 0.000 0.000 -0.000) 0.000 15.525 ( 0.000 0.000 0.000) 0.000 16.066 ( 0.000 0.000 0.000) 0.000 16.505 ( 0.000 0.000 0.000) 0.000 17.093 ( 0.000 0.000 -0.000) 0.000 17.271 ( 0.000 0.000 0.000) 0.000 17.958 ( 0.000 0.000 -0.000) 0.000 18.084 ( 0.000 0.000 -0.000) 0.000 18.524 ( 0.000 0.000 -0.000) 0.000 18.574 ( 0.000 0.000 0.000) 0.000 18.963 ( 0.000 0.000 0.000) 0.000 19.002 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 10 (6/65) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 0.000 23.697 9.717) 25.612 0.850 ( 0.000 21.811 15.761) 26.909 1.039 ( 0.000 30.960 8.578) 32.126 1.475 ( -0.000 -0.199 -2.121) 2.130 1.481 ( -0.000 -0.211 -0.506) 0.548 1.491 ( 0.000 -0.092 0.411) 0.421 1.569 ( 0.000 5.833 -0.890) 5.901 1.639 ( 0.000 10.261 7.288) 12.586 1.803 ( 0.000 25.487 4.045) 25.806 3.231 ( -0.000 -22.313 0.301) 22.315 3.287 ( -0.000 -5.620 -4.994) 7.518 3.562 ( 0.000 -5.753 10.855) 12.285 4.344 ( -0.000 8.089 -8.135) 11.472 4.377 ( 0.000 2.481 0.662) 2.568 4.623 ( -0.000 -6.017 -0.576) 6.045 4.733 ( 0.000 0.640 2.891) 2.961 5.212 ( 0.000 -11.379 14.892) 18.742 5.657 ( -0.000 -9.938 0.429) 9.947 5.744 ( -0.000 -2.629 -1.011) 2.817 5.924 ( 0.000 -7.409 23.349) 24.497 6.126 ( -0.000 -5.918 -1.275) 6.054 6.225 ( 0.000 24.060 10.590) 26.287 6.287 ( 0.000 0.427 1.724) 1.776 6.585 ( 0.000 5.732 7.674) 9.578 7.545 ( 0.000 3.859 3.985) 5.548 7.716 ( 0.000 18.371 2.429) 18.531 8.329 ( -0.000 -2.532 -3.663) 4.453 9.123 ( -0.000 -7.026 -10.293) 12.462 9.366 ( 0.000 1.351 2.400) 2.755 9.732 ( -0.000 -7.130 -4.859) 8.629 9.824 ( 0.000 10.455 4.031) 11.205 9.941 ( 0.000 8.660 5.227) 10.115 10.431 ( 0.000 -2.457 26.270) 26.385 10.926 ( -0.000 -6.269 -6.344) 8.919 11.442 ( -0.000 10.029 -25.322) 27.236 11.553 ( -0.000 -9.036 -1.188) 9.114 11.736 ( -0.000 2.102 -1.007) 2.331 11.942 ( -0.000 14.124 -7.775) 16.122 12.399 ( 0.000 6.457 16.788) 17.987 12.729 ( 0.000 -11.205 13.513) 17.554 13.156 ( -0.000 -9.607 -2.432) 9.910 13.411 ( -0.000 3.850 -6.296) 7.380 13.972 ( 0.000 2.549 17.601) 17.784 16.018 ( 0.000 -11.538 11.189) 16.073 16.048 ( -0.000 -5.479 -20.390) 21.113 16.896 ( -0.000 12.846 -31.270) 33.806 17.168 ( -0.000 -9.922 -3.867) 10.649 17.462 ( 0.000 1.609 16.271) 16.350 17.540 ( 0.000 3.797 6.856) 7.837 18.098 ( 0.000 6.829 2.916) 7.426 18.233 ( 0.000 2.038 -0.828) 2.200 18.277 ( 0.000 2.845 3.776) 4.728 18.751 ( -0.000 38.250 -61.105) 72.089 19.160 ( -0.000 -2.338 0.036) 2.339 ======================= Grid point 11 (7/65) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -2.313 12.871 9.902) 16.403 1.098 ( 1.791 12.555 5.631) 13.876 1.319 ( 3.360 7.279 -0.386) 8.026 1.440 ( -0.867 -1.801 -2.724) 3.379 1.479 ( 0.167 0.536 -1.172) 1.300 1.506 ( 0.543 0.585 1.127) 1.381 1.600 ( -2.854 4.045 -1.142) 5.080 1.862 ( 0.584 22.089 9.958) 24.237 2.367 ( 20.452 24.424 5.349) 32.302 3.015 ( -4.488 -14.498 0.280) 15.179 3.249 ( 5.144 2.839 -1.634) 6.099 3.501 ( -6.557 -3.901 19.954) 21.363 4.314 ( -2.588 0.558 -3.816) 4.644 4.493 ( -7.791 -3.812 -0.555) 8.691 4.525 ( 11.985 -2.057 -2.333) 12.382 4.712 ( -5.785 1.495 2.767) 6.584 5.280 ( 5.399 -4.966 10.540) 12.842 5.499 ( -5.645 -10.445 2.054) 12.049 5.692 ( -0.717 -3.510 -2.133) 4.169 5.902 ( -5.623 -1.151 8.129) 9.951 6.075 ( 1.114 -1.848 1.425) 2.586 6.312 ( -0.261 -0.521 4.099) 4.140 6.524 ( -3.364 8.762 1.767) 9.551 6.801 ( 11.125 19.635 13.995) 26.555 7.612 ( 0.391 4.339 6.888) 8.150 8.016 ( 5.758 13.671 3.068) 15.148 8.302 ( 3.276 -1.788 -0.330) 3.746 9.033 ( 4.600 -1.375 -8.935) 10.144 9.347 ( -5.959 -2.423 0.365) 6.443 9.552 ( -4.426 -4.791 -6.445) 9.170 10.060 ( 7.809 11.381 5.453) 14.840 10.118 ( 5.142 8.558 6.275) 11.793 10.528 ( -5.761 -2.341 21.857) 22.725 10.901 ( 6.999 -8.852 -2.230) 11.503 11.296 ( -6.141 2.205 -13.717) 15.190 11.496 ( 5.147 -9.693 -3.451) 11.505 11.772 ( 1.820 1.812 -4.488) 5.171 11.996 ( -2.908 13.486 -5.132) 14.720 12.567 ( -0.733 -0.298 13.097) 13.121 12.721 ( 0.310 -4.713 12.781) 13.626 13.024 ( -1.050 -11.689 -2.177) 11.936 13.348 ( -5.911 1.164 -3.129) 6.789 14.183 ( 2.042 4.618 29.237) 29.670 15.924 ( 5.827 -6.012 -14.229) 16.509 15.942 ( 0.013 -14.731 -3.656) 15.178 16.630 ( -13.837 13.014 -19.870) 27.489 17.115 ( 4.355 -5.952 -12.206) 14.261 17.500 ( -6.095 -0.690 14.714) 15.941 17.764 ( 9.070 4.306 8.981) 13.471 18.076 ( -6.813 7.043 -1.722) 9.949 18.273 ( 3.652 0.774 3.399) 5.049 18.427 ( 4.331 7.450 1.529) 8.752 18.804 ( 10.190 13.375 -36.651) 40.324 19.120 ( -1.559 -2.778 -0.204) 3.193 ======================= Grid point 12 (8/65) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -9.165 6.425 10.804) 15.557 1.239 ( 1.862 5.415 2.735) 6.345 1.359 ( -1.662 0.600 -2.307) 2.906 1.402 ( -0.214 0.437 -0.731) 0.878 1.458 ( -1.923 1.478 -2.765) 3.678 1.528 ( 0.252 0.087 1.826) 1.845 1.563 ( -2.801 1.129 1.591) 3.413 2.064 ( -14.625 20.985 10.442) 27.628 2.758 ( 10.773 -6.592 -8.534) 15.242 2.878 ( 10.201 -3.118 2.597) 10.979 3.493 ( 6.484 19.461 -2.878) 20.713 3.730 ( 9.137 9.315 26.833) 29.838 4.171 ( -4.965 -18.561 2.337) 19.356 4.298 ( -10.861 3.156 -1.837) 11.458 4.609 ( -9.732 6.658 -0.910) 11.827 4.690 ( 11.231 -4.300 -5.350) 13.162 5.258 ( -2.468 -12.356 5.276) 13.660 5.454 ( 2.538 -3.545 7.043) 8.283 5.654 ( 2.081 -3.262 -2.006) 4.358 5.897 ( 2.094 0.033 1.196) 2.412 6.115 ( 0.386 5.642 0.318) 5.664 6.303 ( -3.408 -1.828 5.032) 6.346 6.476 ( -12.038 8.597 5.067) 15.636 7.282 ( 10.939 19.079 2.896) 22.183 7.759 ( 9.035 2.394 5.640) 10.917 8.103 ( 1.201 -3.679 0.976) 3.991 8.409 ( 0.577 4.715 7.742) 9.083 9.014 ( -11.337 -12.940 -9.041) 19.435 9.201 ( 11.048 6.867 -7.171) 14.854 9.501 ( -1.248 3.186 0.293) 3.434 10.275 ( -1.215 3.112 7.423) 8.140 10.341 ( 7.700 6.867 3.614) 10.932 10.561 ( -0.118 4.418 11.583) 12.397 10.904 ( 1.365 -7.236 2.648) 7.825 11.121 ( -5.357 -1.486 -8.662) 10.292 11.482 ( 7.914 -10.134 -4.950) 13.778 11.772 ( -0.291 1.405 -3.022) 3.346 12.055 ( -2.181 13.757 -3.905) 14.466 12.524 ( -2.946 -8.941 5.840) 11.078 12.788 ( -1.625 -1.302 6.349) 6.682 12.877 ( -5.185 -4.694 2.120) 7.308 13.230 ( -3.664 -2.817 -1.696) 4.923 14.498 ( 2.052 5.101 31.562) 32.037 15.691 ( -4.475 -11.547 -14.088) 18.757 15.905 ( 6.754 -5.688 -5.290) 10.293 16.493 ( -3.758 7.186 -8.621) 11.836 17.042 ( 2.539 0.458 -15.957) 16.165 17.470 ( -7.819 -2.254 15.575) 17.573 17.966 ( 3.448 3.391 3.381) 5.901 18.048 ( -2.007 4.536 2.024) 5.357 18.388 ( 5.951 1.860 1.626) 6.443 18.549 ( 0.338 9.718 -4.346) 10.651 18.843 ( 8.594 0.431 -15.136) 17.411 19.054 ( -2.722 -2.400 -0.892) 3.737 ======================= Grid point 13 (9/65) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -10.702 10.995 23.369) 27.956 1.316 ( 0.241 0.386 1.733) 1.792 1.323 ( -0.835 2.864 -0.356) 3.004 1.377 ( -2.976 1.732 2.205) 4.088 1.461 ( 1.690 1.154 -1.398) 2.478 1.528 ( -0.877 -1.178 1.152) 1.867 1.556 ( -1.094 1.131 1.620) 2.258 1.995 ( -17.023 14.165 10.700) 24.595 2.706 ( -0.259 -0.913 -2.293) 2.482 3.234 ( 27.203 -5.059 -5.975) 28.307 3.716 ( 0.059 5.949 -3.742) 7.028 3.805 ( -8.713 -19.080 3.555) 21.275 4.084 ( -0.704 2.185 5.456) 5.919 4.218 ( -3.303 14.633 4.309) 15.608 4.478 ( -14.128 10.213 0.077) 17.433 4.795 ( 10.507 -2.772 -6.136) 12.479 5.144 ( -0.321 -14.237 4.998) 15.093 5.471 ( 0.197 -5.352 3.261) 6.270 5.658 ( 3.022 -3.200 -1.342) 4.601 5.979 ( 7.046 -0.483 -1.449) 7.210 6.186 ( -1.350 5.799 -2.226) 6.357 6.239 ( -5.161 2.195 5.499) 7.855 6.379 ( -12.645 7.136 5.939) 15.687 7.510 ( -5.005 18.101 -1.932) 18.880 8.050 ( 10.797 -3.023 8.169) 13.873 8.091 ( 8.108 -2.028 -4.218) 9.362 8.412 ( -7.599 -8.488 3.320) 11.867 8.664 ( -3.700 -2.701 -6.578) 8.016 9.427 ( 8.045 3.825 -1.316) 9.004 9.512 ( -1.942 3.424 -0.624) 3.986 10.209 ( -7.629 -1.485 4.933) 9.205 10.551 ( 8.223 4.834 -0.005) 9.539 10.694 ( -0.637 0.122 2.036) 2.137 10.828 ( -5.878 -2.652 3.347) 7.266 11.015 ( 1.138 -0.705 -1.522) 2.027 11.494 ( 9.425 -10.840 -4.525) 15.060 11.755 ( -2.111 2.914 -0.432) 3.624 12.153 ( -0.525 14.779 -2.883) 15.067 12.414 ( -2.062 -9.282 0.456) 9.519 12.671 ( -8.980 3.221 -0.424) 9.550 12.843 ( -1.715 -1.557 3.821) 4.469 13.174 ( 2.687 -6.122 0.616) 6.714 14.615 ( -7.339 -0.759 -0.109) 7.379 15.521 ( 0.219 -2.672 2.698) 3.803 15.993 ( 8.804 -5.622 10.815) 15.036 16.464 ( 0.643 0.714 -6.483) 6.554 17.015 ( 3.934 6.403 -17.194) 18.764 17.414 ( -8.025 -2.227 15.065) 17.214 18.011 ( -2.164 3.633 3.864) 5.728 18.090 ( -0.267 0.930 -0.513) 1.095 18.505 ( 2.464 3.493 -4.623) 6.296 18.573 ( 1.045 3.486 -2.339) 4.326 18.931 ( 7.251 -0.062 0.807) 7.296 18.975 ( -2.413 -2.413 -1.290) 3.648 ======================= Grid point 14 (10/65) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -7.884 7.435 18.140) 21.131 1.294 ( -2.144 -0.414 0.130) 2.187 1.384 ( 1.428 2.155 1.799) 3.149 1.407 ( -0.841 3.848 8.332) 9.216 1.501 ( 0.343 -0.652 -1.382) 1.566 1.528 ( 0.029 5.779 11.668) 13.021 1.553 ( -1.314 0.478 0.855) 1.639 1.997 ( -10.471 17.231 12.343) 23.641 2.734 ( 5.066 -0.728 0.748) 5.172 3.337 ( -12.215 -27.641 3.060) 30.375 3.363 ( 0.436 -6.786 -28.148) 28.957 3.796 ( 11.720 -1.020 -1.438) 11.852 4.117 ( -24.644 8.113 -1.197) 25.972 4.179 ( 1.690 7.683 6.380) 10.129 4.505 ( -0.669 15.760 1.928) 15.892 4.904 ( 4.139 -6.310 3.911) 8.500 5.038 ( 6.944 -11.632 -4.848) 14.388 5.409 ( -1.782 -4.326 -2.391) 5.254 5.671 ( 2.645 -2.590 -0.199) 3.707 6.019 ( -5.429 -4.220 3.103) 7.544 6.135 ( 3.944 2.005 -6.332) 7.725 6.252 ( -6.921 0.263 3.564) 7.789 6.343 ( -4.179 13.997 4.463) 15.275 7.471 ( -15.685 14.106 -5.249) 21.739 7.933 ( -4.810 -15.118 -4.878) 16.598 8.180 ( -2.851 -1.586 5.238) 6.171 8.323 ( 1.716 -1.807 -2.556) 3.570 8.782 ( 16.958 0.863 3.179) 17.275 9.461 ( -5.082 -1.548 0.178) 5.315 9.496 ( -1.977 2.522 -0.411) 3.231 10.135 ( -2.099 1.342 -1.180) 2.756 10.524 ( -9.209 -7.086 -2.331) 11.851 10.650 ( -8.929 0.408 -0.980) 8.992 10.746 ( 3.587 2.461 -3.660) 5.686 11.124 ( 6.118 1.724 5.907) 8.677 11.522 ( 9.369 -11.779 -2.580) 15.270 11.790 ( 0.307 5.398 4.068) 6.766 12.142 ( -9.212 5.109 -4.310) 11.381 12.393 ( 4.717 -1.476 -0.368) 4.956 12.642 ( 0.826 9.747 -3.155) 10.278 12.803 ( -2.679 -1.800 -0.166) 3.232 13.201 ( 5.559 -5.626 3.091) 8.492 14.331 ( -11.839 -3.386 -16.082) 20.255 15.596 ( 4.591 0.892 1.962) 5.071 16.227 ( 7.551 -8.740 29.146) 31.351 16.442 ( 3.297 2.461 -8.766) 9.683 17.058 ( 5.652 8.413 -16.352) 19.238 17.379 ( -6.750 -0.359 16.090) 17.452 18.005 ( -4.241 -2.109 -5.185) 7.022 18.057 ( -2.264 3.419 4.413) 6.025 18.440 ( -2.024 -3.487 -7.040) 8.113 18.638 ( -3.239 5.882 1.376) 6.854 18.937 ( 3.055 -2.696 -0.435) 4.098 19.086 ( 6.412 1.054 8.346) 10.577 ======================= Grid point 15 (11/65) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -8.962 0.940 5.624) 10.622 1.225 ( -6.313 0.155 0.788) 6.364 1.419 ( -1.827 -0.559 0.938) 2.128 1.443 ( 0.802 1.284 2.375) 2.817 1.485 ( 0.129 -0.371 -1.225) 1.286 1.530 ( -1.814 -0.325 0.202) 1.854 1.758 ( -3.661 8.340 21.008) 22.897 2.050 ( -17.788 16.582 14.546) 28.336 2.821 ( 4.911 -9.709 -3.129) 11.322 2.888 ( -10.353 -23.275 -9.506) 27.189 3.048 ( 1.843 2.172 -18.268) 18.489 3.601 ( -30.377 3.324 1.803) 30.612 4.109 ( 19.122 -1.751 -3.319) 19.487 4.349 ( 0.803 14.157 3.911) 14.709 4.629 ( 0.209 6.662 1.050) 6.747 4.758 ( -4.591 -15.632 0.370) 16.296 5.178 ( 12.672 -2.614 -2.235) 13.130 5.321 ( -0.763 0.019 -4.912) 4.971 5.697 ( 2.164 -1.222 1.279) 2.795 5.858 ( -8.314 -2.370 -0.388) 8.654 6.144 ( -5.890 1.064 -0.646) 6.020 6.213 ( 4.591 -0.906 -1.049) 4.796 6.448 ( -1.068 9.301 3.268) 9.916 7.160 ( -28.857 6.852 -6.369) 30.335 7.658 ( -4.616 -14.600 -1.727) 15.410 8.168 ( -5.434 0.956 4.568) 7.163 8.289 ( 1.375 -0.273 -4.080) 4.314 9.107 ( 14.242 0.110 0.152) 14.243 9.313 ( -8.040 -3.537 2.326) 9.086 9.510 ( 1.891 3.774 1.891) 4.626 10.118 ( -0.185 0.969 -5.195) 5.288 10.270 ( -11.446 -4.475 -1.927) 12.440 10.394 ( -15.862 0.014 -2.454) 16.051 10.837 ( 6.841 -0.382 -3.575) 7.729 11.301 ( 6.235 5.580 5.092) 9.795 11.536 ( 7.140 -11.514 -1.190) 13.600 11.889 ( 0.228 1.932 9.693) 9.886 12.033 ( -4.810 5.823 -6.871) 10.210 12.426 ( 2.241 -0.177 -0.585) 2.322 12.662 ( -5.850 -3.206 -3.967) 7.761 12.849 ( 9.005 7.205 -2.252) 11.750 13.289 ( 6.424 -2.100 3.396) 7.564 14.038 ( -8.222 -1.564 -9.185) 12.426 15.697 ( 6.759 0.761 -2.399) 7.213 16.295 ( -0.194 -6.741 3.996) 7.839 16.640 ( 10.318 2.645 14.374) 17.891 17.140 ( 6.424 7.207 -11.839) 15.276 17.397 ( -5.197 1.209 16.289) 17.140 17.795 ( -7.927 -5.046 -12.550) 15.678 18.105 ( -2.073 4.459 6.910) 8.481 18.306 ( -2.370 -6.536 -5.674) 8.974 18.566 ( -9.930 3.585 -0.165) 10.559 19.015 ( 6.337 -0.467 0.243) 6.358 19.278 ( 6.358 0.907 12.295) 13.871 ======================= Grid point 16 (12/65) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -17.413 -0.000 0.000) 17.413 1.059 ( -16.402 -0.000 0.000) 16.402 1.324 ( -10.906 -0.000 0.000) 10.906 1.480 ( 0.753 0.000 -0.000) 0.753 1.480 ( 0.800 0.000 -0.000) 0.800 1.498 ( -1.500 -0.000 0.000) 1.500 1.703 ( -10.643 -0.000 0.000) 10.643 1.819 ( -22.823 -0.000 0.000) 22.823 2.263 ( -36.010 -0.000 0.000) 36.010 2.969 ( 19.348 0.000 -0.000) 19.348 3.212 ( 14.003 0.000 -0.000) 14.003 3.335 ( -3.403 -0.000 0.000) 3.403 4.363 ( 9.233 0.000 -0.000) 9.233 4.508 ( -4.801 -0.000 0.000) 4.801 4.523 ( 2.049 0.000 -0.000) 2.049 4.678 ( 0.988 0.000 -0.000) 0.988 5.170 ( -4.237 -0.000 0.000) 4.237 5.475 ( 13.709 0.000 -0.000) 13.709 5.706 ( -7.578 -0.000 0.000) 7.578 5.736 ( 2.035 0.000 -0.000) 2.035 6.076 ( -0.836 -0.000 0.000) 0.836 6.262 ( 2.125 0.000 -0.000) 2.125 6.508 ( 0.186 0.000 -0.000) 0.186 6.609 ( -32.667 -0.000 0.000) 32.667 7.527 ( -1.791 -0.000 0.000) 1.791 7.989 ( -17.309 -0.000 0.000) 17.309 8.327 ( 3.297 0.000 -0.000) 3.297 9.230 ( -0.134 -0.000 0.000) 0.134 9.232 ( 3.450 0.000 -0.000) 3.450 9.657 ( 8.607 0.000 -0.000) 8.607 10.006 ( -11.929 -0.000 0.000) 11.929 10.044 ( -10.980 -0.000 0.000) 10.980 10.208 ( -2.243 -0.000 0.000) 2.243 10.928 ( 5.977 0.000 -0.000) 5.977 11.517 ( 8.380 0.000 -0.000) 8.380 11.522 ( 3.830 0.000 -0.000) 3.830 11.951 ( 1.260 0.000 -0.000) 1.260 11.952 ( -6.600 -0.000 0.000) 6.600 12.460 ( -10.648 -0.000 0.000) 10.648 12.498 ( 4.664 0.000 -0.000) 4.664 13.050 ( 10.581 0.000 -0.000) 10.581 13.401 ( 5.425 0.000 -0.000) 5.425 13.899 ( -4.106 -0.000 0.000) 4.106 15.814 ( 7.696 0.000 -0.000) 7.696 16.260 ( -0.437 -0.000 0.000) 0.437 16.900 ( 10.053 0.000 -0.000) 10.053 17.256 ( 6.479 0.000 -0.000) 6.479 17.400 ( -5.269 -0.000 0.000) 5.269 17.533 ( -8.550 -0.000 0.000) 8.550 18.124 ( -5.199 -0.000 0.000) 5.199 18.201 ( 0.484 0.000 -0.000) 0.484 18.407 ( -9.955 -0.000 0.000) 9.955 19.109 ( 4.491 0.000 -0.000) 4.491 19.454 ( 6.241 0.000 -0.000) 6.241 ======================= Grid point 19 (13/65) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.000 3.417 5.939) 6.852 1.199 ( 0.000 5.168 2.925) 5.938 1.371 ( 0.000 5.723 -0.875) 5.790 1.414 ( -0.000 -1.505 -2.002) 2.504 1.468 ( -0.000 -0.561 -0.194) 0.594 1.522 ( 0.000 1.735 1.596) 2.358 1.666 ( 0.000 2.307 -0.674) 2.403 2.053 ( 0.000 12.333 7.236) 14.299 2.694 ( 0.000 45.012 5.122) 45.302 3.041 ( 0.000 -4.289 21.140) 21.571 3.152 ( -0.000 2.679 -3.022) 4.038 3.614 ( 0.000 -6.761 14.524) 16.021 4.258 ( -0.000 -12.311 0.141) 12.312 4.364 ( -0.000 -3.281 -0.796) 3.376 4.600 ( -0.000 11.569 -9.086) 14.710 4.794 ( 0.000 -0.602 4.660) 4.699 5.251 ( 0.000 -5.861 11.487) 12.896 5.424 ( -0.000 -12.138 -0.430) 12.146 5.670 ( -0.000 -3.211 -1.009) 3.365 5.958 ( -0.000 -6.328 -4.214) 7.603 6.076 ( 0.000 1.272 8.918) 9.009 6.357 ( 0.000 1.222 4.692) 4.849 6.556 ( 0.000 5.099 5.126) 7.230 6.977 ( 0.000 12.366 6.954) 14.187 7.826 ( 0.000 13.921 10.956) 17.715 8.178 ( 0.000 20.293 7.294) 21.564 8.183 ( -0.000 -7.419 -2.539) 7.841 8.929 ( -0.000 0.041 -6.232) 6.232 9.426 ( 0.000 1.955 -0.239) 1.970 9.435 ( -0.000 -11.836 -8.686) 14.681 10.175 ( 0.000 16.403 6.969) 17.822 10.208 ( 0.000 8.616 6.408) 10.737 10.701 ( -0.000 -5.764 -6.253) 8.504 10.733 ( 0.000 -2.746 22.888) 23.052 11.273 ( -0.000 -1.182 -10.344) 10.412 11.346 ( -0.000 -8.685 -3.622) 9.410 11.747 ( -0.000 2.397 -3.954) 4.624 12.099 ( -0.000 11.863 -6.768) 13.658 12.622 ( 0.000 -7.128 8.749) 11.285 12.799 ( 0.000 0.491 14.961) 14.969 12.839 ( -0.000 -17.900 -3.618) 18.262 13.421 ( 0.000 1.855 -0.005) 1.855 14.463 ( 0.000 6.576 40.408) 40.940 15.576 ( -0.000 -7.230 -27.041) 27.991 15.921 ( 0.000 -12.127 9.133) 15.181 16.762 ( -0.000 16.038 -29.466) 33.548 16.864 ( -0.000 -12.770 -4.894) 13.675 17.672 ( 0.000 -0.393 10.849) 10.856 17.788 ( 0.000 7.263 10.597) 12.847 18.250 ( 0.000 5.021 1.530) 5.249 18.267 ( 0.000 2.373 -1.057) 2.598 18.403 ( 0.000 4.769 2.697) 5.479 18.662 ( -0.000 16.379 -28.724) 33.066 19.099 ( -0.000 -4.070 0.322) 4.083 ======================= Grid point 20 (14/65) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.401 -3.983 2.205) 4.570 1.265 ( 1.761 2.552 1.215) 3.330 1.370 ( -0.974 -0.523 -0.978) 1.477 1.411 ( -0.216 2.505 -1.062) 2.729 1.467 ( 0.256 -0.275 -0.804) 0.887 1.553 ( -0.356 1.454 2.718) 3.103 1.642 ( -2.334 -0.218 -0.014) 2.344 2.309 ( 17.478 2.377 -1.423) 17.696 2.800 ( -24.441 23.807 6.336) 34.703 3.012 ( -11.931 3.392 14.925) 19.406 3.520 ( 10.432 20.606 -4.056) 23.450 3.802 ( 13.517 5.975 25.479) 29.455 4.089 ( -4.024 -17.843 2.896) 18.519 4.394 ( 7.294 -4.280 -5.321) 9.991 4.532 ( -10.815 4.571 -5.443) 12.942 4.784 ( -3.639 3.132 1.416) 5.006 5.224 ( -3.062 -9.840 4.684) 11.320 5.368 ( 4.828 -7.166 4.224) 9.618 5.621 ( -0.846 -2.442 -1.411) 2.945 5.845 ( -0.868 -3.452 -2.892) 4.586 6.166 ( 1.891 3.233 4.622) 5.949 6.377 ( -2.417 -0.020 4.524) 5.129 6.760 ( 4.392 7.954 7.723) 11.925 7.116 ( 8.048 6.188 -0.731) 10.179 7.965 ( -8.911 18.479 2.186) 20.631 8.045 ( -0.756 -10.042 6.347) 11.903 8.506 ( 3.918 10.831 9.242) 14.767 8.971 ( 3.695 -1.343 -1.167) 4.101 9.112 ( -8.063 -4.755 -12.531) 15.641 9.501 ( 4.150 0.890 -2.554) 4.953 10.353 ( 2.801 7.442 4.691) 9.233 10.398 ( 0.326 11.272 6.975) 13.259 10.642 ( 1.285 -0.853 0.162) 1.551 10.835 ( 0.510 -3.243 10.688) 11.181 11.153 ( -4.956 -2.549 -4.972) 7.468 11.264 ( 3.092 -8.847 -3.053) 9.857 11.761 ( 1.587 3.934 -5.080) 6.618 12.160 ( -0.362 10.959 -6.059) 12.528 12.512 ( -4.437 -12.830 3.257) 13.961 12.737 ( 7.142 -13.492 0.737) 15.284 12.871 ( -1.699 -0.485 8.657) 8.835 13.364 ( -8.785 1.201 1.272) 8.957 14.795 ( -3.425 5.566 35.076) 35.679 15.403 ( 7.517 -7.051 -17.562) 20.363 15.844 ( -1.630 -9.977 7.529) 12.605 16.578 ( -7.438 3.138 -11.488) 14.041 16.853 ( 6.610 2.425 -17.464) 18.830 17.665 ( -5.603 -1.415 9.534) 11.149 17.977 ( 4.202 5.410 7.934) 10.482 18.182 ( -6.459 4.461 0.261) 7.854 18.343 ( 3.373 2.516 1.139) 4.359 18.582 ( 8.538 5.386 1.414) 10.194 18.628 ( 0.797 8.145 -20.049) 21.655 19.050 ( -1.072 -4.078 -0.028) 4.217 ======================= Grid point 21 (15/65) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 5.355 -0.122 4.830) 7.213 1.322 ( 1.718 0.919 0.583) 2.034 1.343 ( -0.900 0.161 -0.509) 1.047 1.425 ( 0.556 1.199 -1.337) 1.880 1.462 ( -0.013 0.300 0.170) 0.345 1.568 ( -1.150 0.179 3.598) 3.781 1.613 ( -1.526 1.139 0.316) 1.930 2.510 ( 1.366 -2.953 3.863) 5.050 2.756 ( -8.397 25.037 -2.081) 26.490 2.938 ( -6.488 -0.653 17.058) 18.262 3.750 ( -4.065 -2.500 -3.481) 5.906 3.818 ( -4.842 -4.618 1.651) 6.892 4.164 ( -2.401 -1.565 5.229) 5.962 4.379 ( 3.208 13.497 2.479) 14.093 4.504 ( 11.360 -5.102 -4.295) 13.173 4.757 ( -7.202 8.767 -2.443) 11.605 5.093 ( -4.538 -10.637 5.943) 13.002 5.391 ( 3.115 -9.470 3.179) 10.464 5.592 ( 1.333 -1.412 -1.767) 2.626 5.852 ( 5.195 -0.160 -1.956) 5.553 6.259 ( 0.626 4.670 1.063) 4.830 6.330 ( -4.364 -1.979 3.657) 6.028 6.816 ( -15.062 13.825 9.568) 22.573 7.470 ( 24.955 4.131 -2.362) 25.405 7.917 ( -0.313 0.154 -4.834) 4.846 8.061 ( -4.004 1.480 6.588) 7.850 8.520 ( -13.363 -7.848 2.819) 15.751 8.698 ( -6.635 -0.054 -4.598) 8.073 9.297 ( 12.555 7.049 0.345) 14.403 9.545 ( 1.562 1.762 -3.031) 3.838 10.403 ( -9.764 1.464 6.432) 11.783 10.502 ( 3.971 4.859 2.029) 6.595 10.699 ( 1.688 -1.279 0.337) 2.144 10.855 ( 0.025 -0.922 0.848) 1.253 11.032 ( -3.565 -0.788 0.682) 3.714 11.233 ( 5.468 -8.761 -2.144) 10.547 11.807 ( 0.752 6.783 -2.911) 7.420 12.233 ( 1.880 9.844 -4.650) 11.048 12.364 ( -1.375 -9.428 0.056) 9.528 12.748 ( 3.627 -6.010 0.691) 7.053 12.859 ( -2.227 -3.240 5.015) 6.372 13.193 ( -10.763 -0.964 1.200) 10.873 14.762 ( -12.120 -1.893 -4.455) 13.051 15.500 ( 4.816 -1.150 10.551) 11.655 15.860 ( 8.210 -6.462 13.035) 16.706 16.447 ( -3.296 -0.344 -5.844) 6.718 16.878 ( 5.277 6.004 -16.150) 18.020 17.616 ( -5.925 -0.759 9.537) 11.253 18.098 ( 0.360 1.599 2.561) 3.041 18.144 ( -4.271 4.247 3.922) 7.187 18.449 ( 4.450 4.178 -4.890) 7.821 18.565 ( -0.010 2.759 -7.807) 8.280 18.793 ( 9.732 2.409 1.737) 10.175 18.982 ( -2.254 -3.483 -0.696) 4.206 ======================= Grid point 22 (16/65) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.521 1.024 1.803) 2.138 1.316 ( -0.647 0.174 0.209) 0.702 1.392 ( 2.031 1.982 1.504) 3.212 1.435 ( 1.171 -0.168 -1.182) 1.672 1.477 ( 0.795 -0.451 0.048) 0.915 1.588 ( -1.174 0.125 2.043) 2.360 1.662 ( 6.488 5.503 5.447) 10.102 2.533 ( -11.705 11.567 24.662) 29.648 2.765 ( -6.313 9.481 -2.510) 11.664 3.021 ( 7.234 -6.401 -11.528) 15.039 3.360 ( -15.311 -17.622 -0.412) 23.348 3.696 ( -5.538 -1.568 -7.025) 9.082 4.240 ( 5.967 6.208 5.525) 10.231 4.528 ( -8.757 6.364 2.035) 11.015 4.632 ( 5.148 -0.724 -5.671) 7.694 4.708 ( 2.045 6.372 -1.591) 6.879 4.938 ( -6.703 -7.994 4.654) 11.423 5.346 ( 1.478 -7.896 0.358) 8.041 5.612 ( 2.655 -0.368 -0.569) 2.740 5.963 ( 7.637 0.350 0.153) 7.647 6.176 ( -8.523 -0.709 -1.391) 8.665 6.338 ( -0.823 1.218 1.467) 2.077 6.717 ( -16.839 10.817 7.339) 21.317 7.743 ( -3.416 7.935 -6.324) 10.706 7.883 ( -5.228 -4.743 -3.902) 8.066 8.093 ( 18.998 -8.736 0.280) 20.912 8.323 ( -7.412 5.702 9.708) 13.480 8.587 ( -1.035 -4.695 -5.294) 7.151 9.496 ( 3.204 1.146 3.733) 5.051 9.541 ( -1.553 2.330 -3.865) 4.773 10.261 ( -10.273 0.678 2.905) 10.697 10.569 ( -2.006 -2.654 -0.554) 3.373 10.655 ( 0.236 0.748 -1.910) 2.065 10.830 ( -4.569 0.195 0.235) 4.579 11.072 ( 5.702 2.432 3.637) 7.187 11.239 ( 7.231 -8.378 -3.243) 11.532 11.878 ( 0.437 6.719 1.760) 6.959 12.218 ( -5.924 -6.562 -3.246) 9.418 12.363 ( 3.770 7.665 -1.700) 8.709 12.739 ( -2.873 6.432 -3.362) 7.806 12.823 ( -0.895 -6.430 4.426) 7.857 13.072 ( 0.614 -4.462 1.545) 4.762 14.448 ( -14.537 -2.128 -8.143) 16.798 15.566 ( 0.971 -0.236 2.072) 2.300 16.146 ( 14.579 -5.555 20.288) 25.593 16.364 ( -1.469 0.993 -7.723) 7.924 16.931 ( 5.550 4.452 -10.106) 12.359 17.593 ( -4.935 1.469 9.530) 10.832 18.029 ( -5.448 -1.557 -4.567) 7.277 18.188 ( -2.730 4.550 8.296) 9.847 18.389 ( -2.274 -2.220 -10.374) 10.850 18.684 ( 6.980 5.397 1.631) 8.973 18.890 ( -3.197 -4.054 -0.855) 5.233 18.991 ( 9.400 1.065 2.635) 9.820 ======================= Grid point 23 (17/65) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -4.336 -0.000 0.000) 4.336 1.295 ( -2.392 -0.000 0.000) 2.392 1.426 ( 0.414 0.000 -0.000) 0.414 1.452 ( 1.286 0.000 -0.000) 1.286 1.474 ( -0.483 -0.000 0.000) 0.483 1.564 ( -1.995 -0.000 0.000) 1.995 1.894 ( 6.878 0.000 -0.000) 6.878 2.668 ( -16.618 -0.000 0.000) 16.618 2.675 ( -5.464 -0.000 0.000) 5.464 2.752 ( -2.450 -0.000 0.000) 2.450 3.028 ( -8.488 -0.000 0.000) 8.488 3.769 ( 15.465 0.000 -0.000) 15.465 4.189 ( -30.513 -0.000 0.000) 30.513 4.436 ( 6.778 0.000 -0.000) 6.778 4.603 ( -3.325 -0.000 0.000) 3.325 4.807 ( -6.641 -0.000 0.000) 6.641 4.900 ( 15.463 0.000 -0.000) 15.463 5.319 ( -0.324 -0.000 0.000) 0.324 5.656 ( 2.699 0.000 -0.000) 2.699 6.001 ( -9.897 -0.000 0.000) 9.897 6.100 ( 7.297 0.000 -0.000) 7.297 6.279 ( -7.031 -0.000 0.000) 7.031 6.581 ( -7.842 -0.000 0.000) 7.842 7.636 ( -5.100 -0.000 0.000) 5.100 7.652 ( -21.059 -0.000 0.000) 21.059 8.223 ( 2.911 0.000 -0.000) 2.911 8.276 ( -5.384 -0.000 0.000) 5.384 8.774 ( 22.792 0.000 -0.000) 22.792 9.447 ( -7.587 -0.000 0.000) 7.587 9.534 ( -0.910 -0.000 0.000) 0.910 10.143 ( -4.557 -0.000 0.000) 4.557 10.426 ( -9.750 -0.000 0.000) 9.750 10.667 ( -14.328 -0.000 0.000) 14.328 10.718 ( 5.315 0.000 -0.000) 5.315 11.249 ( 6.471 0.000 -0.000) 6.471 11.305 ( 10.620 0.000 -0.000) 10.620 11.976 ( 3.731 0.000 -0.000) 3.731 12.027 ( -7.228 -0.000 0.000) 7.228 12.427 ( -0.161 -0.000 0.000) 0.161 12.741 ( -5.041 -0.000 0.000) 5.041 12.772 ( 2.910 0.000 -0.000) 2.910 13.149 ( 8.505 0.000 -0.000) 8.505 14.173 ( -12.405 -0.000 0.000) 12.405 15.605 ( 3.552 0.000 -0.000) 3.552 16.300 ( -1.933 -0.000 0.000) 1.933 16.461 ( 15.294 0.000 -0.000) 15.294 17.019 ( 6.391 0.000 -0.000) 6.391 17.573 ( -4.443 -0.000 0.000) 4.443 17.863 ( -9.066 -0.000 0.000) 9.066 18.228 ( -2.531 -0.000 0.000) 2.531 18.262 ( -2.703 -0.000 0.000) 2.703 18.745 ( -8.297 -0.000 0.000) 8.297 18.880 ( 8.730 0.000 -0.000) 8.730 19.173 ( 9.665 0.000 -0.000) 9.665 ======================= Grid point 28 (18/65) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -0.000 -10.870 -2.673) 11.194 1.272 ( 0.000 1.344 0.399) 1.402 1.375 ( 0.000 -0.094 0.418) 0.429 1.425 ( -0.000 1.765 -1.971) 2.646 1.457 ( -0.000 -0.424 0.013) 0.425 1.590 ( 0.000 1.092 2.700) 2.913 1.640 ( -0.000 -1.299 -0.817) 1.535 2.129 ( -0.000 -3.103 -2.683) 4.102 3.305 ( 0.000 18.955 6.039) 19.893 3.341 ( 0.000 15.972 -5.958) 17.048 3.714 ( 0.000 24.752 18.111) 30.671 3.744 ( 0.000 -2.156 19.675) 19.793 3.984 ( -0.000 -15.963 3.808) 16.411 4.277 ( -0.000 -1.294 -1.793) 2.211 4.680 ( -0.000 7.738 -12.198) 14.445 4.783 ( 0.000 -8.298 4.252) 9.324 5.243 ( 0.000 -5.468 2.544) 6.031 5.245 ( 0.000 -5.010 3.683) 6.218 5.581 ( -0.000 -4.714 -1.093) 4.839 5.810 ( -0.000 -2.437 -3.510) 4.273 6.196 ( 0.000 1.874 3.519) 3.987 6.431 ( 0.000 0.294 3.403) 3.416 6.692 ( 0.000 1.094 5.012) 5.130 7.185 ( 0.000 7.529 -2.021) 7.795 8.022 ( 0.000 -8.739 8.956) 12.513 8.234 ( 0.000 13.356 -0.529) 13.367 8.670 ( 0.000 15.712 11.952) 19.741 8.918 ( -0.000 1.367 -0.873) 1.622 9.093 ( -0.000 -8.204 -8.314) 11.681 9.375 ( -0.000 -2.706 -7.696) 8.158 10.435 ( 0.000 6.735 4.206) 7.940 10.530 ( 0.000 3.840 1.945) 4.304 10.651 ( 0.000 9.991 3.746) 10.670 10.878 ( 0.000 -3.490 5.241) 6.297 11.118 ( -0.000 -6.791 -2.564) 7.259 11.194 ( 0.000 -1.843 1.666) 2.485 11.750 ( -0.000 6.719 -6.230) 9.163 12.215 ( -0.000 8.360 -5.728) 10.134 12.388 ( -0.000 -22.692 -2.314) 22.809 12.571 ( 0.000 -6.971 6.325) 9.413 12.932 ( 0.000 -0.704 5.096) 5.144 13.471 ( 0.000 1.172 1.963) 2.286 15.115 ( -0.000 -5.264 -19.187) 19.896 15.185 ( 0.000 6.483 38.607) 39.148 15.805 ( 0.000 -10.486 6.385) 12.276 16.589 ( -0.000 -8.465 -3.271) 9.074 16.715 ( -0.000 14.326 -21.310) 25.678 17.731 ( 0.000 -2.763 3.599) 4.538 18.058 ( 0.000 5.103 9.215) 10.534 18.286 ( -0.000 1.215 -1.440) 1.884 18.333 ( 0.000 2.742 -0.508) 2.788 18.516 ( 0.000 4.454 0.071) 4.454 18.629 ( -0.000 8.278 -11.871) 14.472 19.017 ( -0.000 -4.332 0.343) 4.346 ======================= Grid point 29 (19/65) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 10.202 -5.571 -0.712) 11.646 1.296 ( 1.490 0.519 -0.036) 1.578 1.366 ( -1.347 -0.119 0.357) 1.398 1.425 ( -0.165 0.834 -1.182) 1.456 1.457 ( 0.305 -0.164 -0.008) 0.347 1.598 ( -0.922 -0.611 1.217) 1.645 1.627 ( -0.479 0.375 -0.120) 0.620 2.210 ( 14.135 -2.853 -2.385) 14.616 3.200 ( -16.342 13.139 -3.878) 21.325 3.443 ( -17.139 7.549 17.835) 25.862 3.776 ( -4.982 -4.902 1.746) 7.204 3.859 ( 2.762 5.234 3.627) 6.941 4.115 ( 4.891 -3.489 -3.363) 6.885 4.375 ( 1.081 5.620 1.401) 5.892 4.461 ( -2.511 -0.129 3.192) 4.063 4.817 ( 3.283 -0.242 -4.974) 5.965 5.165 ( -5.011 -1.103 4.737) 6.984 5.264 ( 2.097 -6.604 0.606) 6.956 5.540 ( 1.315 -2.540 -1.377) 3.175 5.784 ( 1.593 -0.048 -1.336) 2.079 6.257 ( 2.936 1.353 1.573) 3.595 6.416 ( -3.973 -0.311 1.626) 4.304 6.951 ( 23.039 1.850 3.433) 23.366 7.199 ( -2.990 4.531 -1.244) 5.569 7.970 ( -5.725 -2.871 7.734) 10.042 8.210 ( -9.601 3.082 -6.243) 11.859 8.729 ( -11.338 -0.111 4.413) 12.167 8.825 ( -10.624 -0.057 -1.464) 10.725 9.155 ( 14.161 8.045 3.178) 16.594 9.402 ( 9.827 -4.129 -7.108) 12.812 10.521 ( 0.750 3.922 2.421) 4.670 10.567 ( 1.024 1.454 1.957) 2.644 10.716 ( -7.078 3.445 2.200) 8.174 10.856 ( -0.145 -1.331 -0.587) 1.462 11.039 ( -1.082 -4.256 -1.733) 4.721 11.172 ( -2.222 -0.988 3.197) 4.017 11.830 ( 2.598 10.233 -3.975) 11.281 12.192 ( 3.419 -13.341 -1.129) 13.818 12.269 ( 2.396 2.408 -2.937) 4.490 12.590 ( 4.606 -5.562 3.414) 7.988 12.925 ( -2.806 -0.584 2.069) 3.535 13.402 ( -9.926 0.502 1.077) 9.997 14.886 ( -9.113 -2.313 -7.926) 12.297 15.520 ( 4.554 3.989 16.920) 17.970 15.762 ( 3.705 -7.335 5.440) 9.855 16.469 ( -3.560 -2.551 -2.289) 4.941 16.759 ( 4.289 6.582 -11.169) 13.655 17.708 ( -1.782 -1.510 2.559) 3.465 18.143 ( -1.065 1.648 3.737) 4.221 18.266 ( -1.851 2.056 3.058) 4.124 18.382 ( 3.429 2.266 -3.014) 5.097 18.532 ( -1.095 1.182 -5.370) 5.606 18.696 ( 6.469 3.850 -0.610) 7.552 18.974 ( -0.973 -2.788 -0.030) 2.953 ======================= Grid point 30 (20/65) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 12.067 0.000 -0.000) 12.067 1.329 ( 0.502 0.000 -0.000) 0.502 1.344 ( 1.382 0.000 -0.000) 1.382 1.421 ( -0.190 -0.000 0.000) 0.190 1.464 ( 0.613 0.000 -0.000) 0.613 1.596 ( 1.815 0.000 -0.000) 1.815 1.617 ( -1.042 -0.000 0.000) 1.042 2.481 ( 18.694 0.000 -0.000) 18.694 3.002 ( -13.433 -0.000 0.000) 13.433 3.222 ( -21.288 -0.000 0.000) 21.288 3.528 ( -14.439 -0.000 0.000) 14.439 3.842 ( -14.768 -0.000 0.000) 14.768 4.129 ( 10.983 0.000 -0.000) 10.983 4.403 ( 9.043 0.000 -0.000) 9.043 4.649 ( 2.813 0.000 -0.000) 2.813 4.788 ( -2.985 -0.000 0.000) 2.985 5.077 ( -8.570 -0.000 0.000) 8.570 5.249 ( 3.179 0.000 -0.000) 3.179 5.563 ( 2.623 0.000 -0.000) 2.623 5.846 ( 5.786 0.000 -0.000) 5.786 6.303 ( -4.188 -0.000 0.000) 4.188 6.338 ( -0.588 -0.000 0.000) 0.588 7.086 ( -13.319 -0.000 0.000) 13.319 7.497 ( 33.482 0.000 -0.000) 33.482 7.882 ( -7.245 -0.000 0.000) 7.245 7.971 ( -9.257 -0.000 0.000) 9.257 8.565 ( -8.542 -0.000 0.000) 8.542 8.649 ( -11.181 -0.000 0.000) 11.181 9.429 ( 8.871 0.000 -0.000) 8.871 9.491 ( 6.083 0.000 -0.000) 6.083 10.505 ( -15.027 -0.000 0.000) 15.027 10.559 ( 0.806 0.000 -0.000) 0.806 10.634 ( 2.298 0.000 -0.000) 2.298 10.859 ( 0.540 0.000 -0.000) 0.540 11.006 ( 2.057 0.000 -0.000) 2.057 11.153 ( -0.619 -0.000 0.000) 0.619 11.904 ( 1.039 0.000 -0.000) 1.039 12.205 ( 2.890 0.000 -0.000) 2.890 12.328 ( 3.879 0.000 -0.000) 3.879 12.673 ( 7.593 0.000 -0.000) 7.593 12.862 ( -4.716 -0.000 0.000) 4.716 13.196 ( -13.038 -0.000 0.000) 13.038 14.653 ( -13.471 -0.000 0.000) 13.471 15.580 ( -1.378 -0.000 0.000) 1.378 15.936 ( 13.923 0.000 -0.000) 13.923 16.391 ( -3.326 -0.000 0.000) 3.326 16.829 ( 4.907 0.000 -0.000) 4.907 17.682 ( -2.035 -0.000 0.000) 2.035 18.101 ( -4.748 -0.000 0.000) 4.748 18.302 ( 0.228 0.000 -0.000) 0.228 18.360 ( -3.938 -0.000 0.000) 3.938 18.573 ( 7.423 0.000 -0.000) 7.423 18.847 ( 8.754 0.000 -0.000) 8.754 18.929 ( -2.752 -0.000 0.000) 2.752 ======================= Grid point 39 (21/65) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 0.000 0.000) 0.000 1.285 ( 0.000 0.000 0.000) 0.000 1.380 ( -0.000 0.000 -0.000) 0.000 1.426 ( 0.000 0.000 0.000) 0.000 1.453 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.635 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 -0.000) 0.000 3.578 ( -0.000 0.000 -0.000) 0.000 3.822 ( 0.000 -0.000 0.000) 0.000 3.938 ( -0.000 0.000 -0.000) 0.000 4.044 ( -0.000 0.000 -0.000) 0.000 4.404 ( 0.000 -0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 6.733 ( 0.000 0.000 0.000) 0.000 7.240 ( -0.000 0.000 -0.000) 0.000 8.044 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 -0.000) 0.000 8.916 ( 0.000 0.000 -0.000) 0.000 8.973 ( 0.000 -0.000 0.000) 0.000 9.055 ( 0.000 0.000 0.000) 0.000 9.148 ( 0.000 0.000 0.000) 0.000 10.549 ( 0.000 0.000 0.000) 0.000 10.556 ( 0.000 0.000 -0.000) 0.000 10.837 ( -0.000 -0.000 -0.000) 0.000 10.843 ( 0.000 0.000 0.000) 0.000 11.024 ( 0.000 -0.000 0.000) 0.000 11.212 ( 0.000 0.000 -0.000) 0.000 11.880 ( 0.000 0.000 -0.000) 0.000 12.008 ( 0.000 -0.000 0.000) 0.000 12.260 ( 0.000 0.000 0.000) 0.000 12.543 ( 0.000 0.000 -0.000) 0.000 12.954 ( 0.000 0.000 -0.000) 0.000 13.498 ( 0.000 0.000 0.000) 0.000 14.921 ( 0.000 0.000 0.000) 0.000 15.621 ( -0.000 -0.000 -0.000) 0.000 15.661 ( 0.000 0.000 0.000) 0.000 16.478 ( 0.000 0.000 0.000) 0.000 16.718 ( -0.000 -0.000 -0.000) 0.000 17.717 ( 0.000 0.000 0.000) 0.000 18.184 ( 0.000 0.000 0.000) 0.000 18.284 ( -0.000 0.000 -0.000) 0.000 18.352 ( 0.000 0.000 0.000) 0.000 18.565 ( 0.000 0.000 0.000) 0.000 18.634 ( 0.000 0.000 0.000) 0.000 18.968 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 78 (22/65) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 0.000 -0.000 27.410) 27.410 0.666 ( 0.000 -0.000 27.410) 27.410 0.772 ( 0.000 -0.000 50.222) 50.222 1.478 ( 0.000 -0.000 0.142) 0.142 1.483 ( -0.000 0.000 -0.641) 0.641 1.483 ( -0.000 0.000 -0.641) 0.641 1.559 ( 0.000 -0.000 5.146) 5.146 1.559 ( 0.000 -0.000 5.146) 5.146 1.597 ( 0.000 -0.000 8.070) 8.070 3.302 ( -0.000 0.000 -7.226) 7.226 3.584 ( 0.000 0.000 2.999) 2.999 3.584 ( 0.000 -0.000 2.999) 2.999 4.250 ( -0.000 0.000 -4.368) 4.368 4.250 ( -0.000 0.000 -4.368) 4.368 4.714 ( 0.000 -0.000 0.614) 0.614 4.714 ( 0.000 -0.000 0.614) 0.614 5.714 ( 0.000 -0.000 18.151) 18.151 5.775 ( 0.000 -0.000 0.502) 0.502 5.775 ( 0.000 -0.000 0.502) 0.502 5.780 ( 0.000 -0.000 1.376) 1.376 6.219 ( 0.000 -0.000 1.896) 1.896 6.287 ( 0.000 0.000 0.241) 0.241 6.287 ( 0.000 -0.000 0.241) 0.241 6.548 ( 0.000 -0.000 22.962) 22.962 7.525 ( 0.000 -0.000 2.922) 2.922 7.525 ( 0.000 -0.000 2.922) 2.922 8.326 ( -0.000 0.000 -3.073) 3.073 9.231 ( -0.000 0.000 -7.052) 7.052 9.231 ( -0.000 0.000 -7.052) 7.052 9.792 ( -0.000 0.000 -8.618) 8.618 9.831 ( 0.000 -0.000 10.836) 10.836 9.831 ( 0.000 -0.000 10.836) 10.836 10.686 ( 0.000 -0.000 27.905) 27.905 11.004 ( -0.000 0.000 -3.833) 3.833 11.004 ( -0.000 0.000 -3.833) 3.833 11.685 ( -0.000 0.000 -4.269) 4.269 11.701 ( -0.000 0.000 -1.293) 1.293 11.701 ( -0.000 0.000 -1.293) 1.293 12.492 ( 0.000 -0.000 25.182) 25.182 12.963 ( 0.000 -0.000 3.278) 3.278 13.253 ( -0.000 0.000 -1.430) 1.430 13.253 ( -0.000 0.000 -1.430) 1.430 14.102 ( 0.000 -0.000 28.393) 28.393 16.048 ( -0.000 0.000 -18.553) 18.553 16.048 ( -0.000 0.000 -18.553) 18.553 16.752 ( -0.000 0.000 -3.227) 3.227 17.302 ( 0.000 -0.000 2.567) 2.567 17.302 ( 0.000 -0.000 2.567) 2.567 17.504 ( 0.000 -0.000 0.047) 0.047 17.987 ( 0.000 0.000 0.974) 0.974 17.987 ( 0.000 -0.000 0.974) 0.974 18.270 ( 0.000 -0.000 4.257) 4.257 18.270 ( 0.000 -0.000 4.257) 4.257 19.183 ( -0.000 0.000 -0.099) 0.099 ======================= Grid point 79 (23/65) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 9.021 5.208 14.903) 18.182 0.996 ( 2.263 1.306 36.191) 36.285 1.207 ( 7.868 4.543 10.875) 14.171 1.458 ( -0.378 -0.218 0.166) 0.467 1.467 ( -1.277 -0.737 -1.476) 2.087 1.507 ( 1.010 0.583 1.030) 1.555 1.637 ( -1.847 -1.067 14.004) 14.166 1.647 ( 5.870 3.389 8.297) 10.714 1.987 ( 27.061 15.624 9.642) 32.702 3.188 ( -6.640 -3.834 -8.825) 11.690 3.296 ( -10.855 -6.267 -1.375) 12.610 3.708 ( -3.278 -1.893 19.975) 20.330 4.169 ( 3.402 1.964 -8.587) 9.443 4.446 ( 10.587 6.112 -3.320) 12.667 4.646 ( -4.744 -2.739 -2.362) 5.966 4.707 ( -3.220 -1.859 3.305) 4.975 5.476 ( -7.023 -4.055 13.835) 16.037 5.654 ( -9.459 -5.461 0.642) 10.941 5.789 ( -0.868 -0.501 0.465) 1.105 6.010 ( -5.321 -3.072 7.794) 9.925 6.137 ( -4.650 -2.684 -0.274) 5.376 6.337 ( 7.625 4.402 3.164) 9.355 6.360 ( 2.341 1.352 3.799) 4.662 6.695 ( 3.462 1.999 20.855) 21.235 7.591 ( 4.091 2.362 2.436) 5.315 7.778 ( 15.573 8.991 5.364) 18.765 8.323 ( 1.137 0.656 0.485) 1.400 9.021 ( -4.060 -2.344 -8.726) 9.905 9.333 ( 2.852 1.647 -3.148) 4.556 9.608 ( -8.822 -5.093 -7.004) 12.362 9.970 ( 7.282 4.204 9.322) 12.554 10.031 ( 7.110 4.105 8.865) 12.083 10.739 ( -6.793 -3.922 18.022) 19.655 11.054 ( 5.018 2.897 -11.484) 12.863 11.062 ( 1.653 0.954 -0.807) 2.072 11.616 ( -0.668 -0.386 -5.960) 6.010 11.693 ( 1.373 0.793 -2.619) 3.061 11.776 ( 3.501 2.021 -1.469) 4.301 12.666 ( 0.105 0.061 17.484) 17.485 12.911 ( -5.021 -2.899 12.384) 13.674 13.189 ( -6.025 -3.478 -1.103) 7.044 13.266 ( 0.788 0.455 -4.290) 4.385 14.365 ( 1.983 1.145 40.910) 40.974 15.866 ( 2.917 1.684 -24.684) 24.912 16.105 ( 8.812 5.088 -17.559) 20.294 16.348 ( -20.894 -12.063 0.085) 24.127 17.214 ( -6.530 -3.770 -3.273) 8.219 17.581 ( 1.534 0.886 8.976) 9.149 17.676 ( 16.286 9.403 -1.593) 18.873 17.930 ( -0.386 -0.223 -1.985) 2.035 18.247 ( 12.162 7.022 -11.467) 18.130 18.291 ( 0.984 0.568 2.954) 3.165 18.401 ( 11.212 6.473 -0.171) 12.947 19.161 ( -1.866 -1.077 0.001) 2.155 ======================= Grid point 80 (24/65) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 5.793 3.345 4.149) 7.871 1.208 ( -3.594 -2.075 32.439) 32.704 1.334 ( 1.581 0.913 2.714) 3.271 1.419 ( -2.038 -1.177 -1.009) 2.561 1.440 ( -2.231 -1.288 1.621) 3.043 1.539 ( 0.637 0.368 2.437) 2.546 1.633 ( -7.213 -4.164 16.496) 18.480 1.864 ( 4.570 2.638 10.008) 11.314 2.686 ( 28.684 16.561 -2.683) 33.230 2.893 ( -10.356 -5.979 -5.713) 13.252 3.215 ( 3.337 1.927 -2.038) 4.359 3.839 ( 2.245 1.296 23.056) 23.202 4.229 ( 2.461 1.421 0.954) 2.998 4.468 ( -8.054 -4.650 -4.668) 10.406 4.562 ( -5.843 -3.374 2.826) 7.315 4.654 ( 3.678 2.123 -4.542) 6.219 5.455 ( -7.239 -4.180 2.455) 8.712 5.518 ( 1.608 0.928 7.252) 7.486 5.757 ( -1.574 -0.909 -0.920) 2.037 5.936 ( -4.531 -2.616 10.670) 11.884 6.052 ( -1.675 -0.967 -3.180) 3.722 6.378 ( -3.831 -2.212 5.399) 6.980 6.412 ( -0.835 -0.482 5.144) 5.234 7.041 ( 13.215 7.630 8.000) 17.229 7.732 ( 7.800 4.503 1.778) 9.180 8.116 ( 6.942 4.008 8.365) 11.586 8.396 ( 3.031 1.750 6.406) 7.300 9.014 ( 9.896 5.713 -8.341) 14.147 9.154 ( -14.985 -8.652 -12.293) 21.226 9.462 ( 0.128 0.074 -1.464) 1.471 10.237 ( 8.400 4.850 9.507) 13.582 10.251 ( 7.833 4.522 5.214) 10.440 10.669 ( -6.499 -3.752 11.105) 13.403 11.036 ( 0.026 0.015 -8.125) 8.125 11.051 ( -3.096 -1.787 1.576) 3.906 11.561 ( 0.268 0.155 -7.933) 7.939 11.740 ( 5.054 2.918 -4.105) 7.135 11.830 ( 1.115 0.644 -0.267) 1.315 12.683 ( -4.649 -2.684 5.972) 8.030 12.920 ( -3.214 -1.856 13.263) 13.773 12.973 ( -11.854 -6.844 -1.787) 13.804 13.238 ( -0.444 -0.256 -2.122) 2.183 14.682 ( -0.325 -0.188 35.539) 35.541 15.744 ( -2.211 -1.276 -21.200) 21.353 16.017 ( -7.239 -4.180 10.475) 13.401 16.198 ( 9.753 5.631 -17.738) 21.011 17.031 ( -5.540 -3.198 -7.720) 10.026 17.623 ( -4.858 -2.805 13.642) 14.750 17.941 ( 8.308 4.797 -0.019) 9.594 17.945 ( 2.006 1.158 0.206) 2.326 18.348 ( 5.137 2.966 -8.681) 10.513 18.366 ( 4.588 2.649 0.684) 5.342 18.671 ( 12.582 7.264 -6.786) 16.035 19.101 ( -3.354 -1.936 0.131) 3.875 ======================= Grid point 81 (25/65) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 3.277 1.892 0.669) 3.843 1.305 ( -11.348 -6.552 30.343) 33.051 1.333 ( -0.117 -0.068 11.670) 11.671 1.374 ( -1.445 -0.834 0.794) 1.848 1.430 ( 1.694 0.978 0.823) 2.122 1.565 ( -0.180 -0.104 2.840) 2.847 1.591 ( -4.976 -2.873 13.666) 14.825 1.909 ( -5.231 -3.020 9.992) 11.676 2.726 ( -1.985 -1.146 -2.038) 3.067 3.182 ( 18.581 10.728 -12.374) 24.768 3.409 ( 13.418 7.747 -1.212) 15.541 4.054 ( 4.755 2.745 12.056) 13.248 4.121 ( -10.831 -6.253 -5.927) 13.840 4.311 ( -16.242 -9.377 4.554) 19.299 4.360 ( -2.732 -1.577 9.109) 9.640 4.738 ( 6.913 3.991 -8.174) 11.425 5.358 ( -5.019 -2.898 5.036) 7.678 5.558 ( -2.072 -1.197 2.687) 3.598 5.718 ( -0.563 -0.325 -2.512) 2.595 5.988 ( 3.185 1.839 8.221) 9.007 6.023 ( 2.106 1.216 -6.103) 6.570 6.302 ( -6.812 -3.933 8.251) 11.400 6.387 ( -4.168 -2.406 4.614) 6.667 7.290 ( 5.925 3.421 1.097) 6.928 7.982 ( 12.050 6.957 -0.624) 13.929 8.208 ( -1.834 -1.059 8.792) 9.044 8.519 ( 0.964 0.557 10.337) 10.397 8.680 ( -13.043 -7.530 -17.584) 23.152 9.283 ( 14.170 8.181 -4.586) 16.993 9.467 ( 0.158 0.091 -1.264) 1.277 10.317 ( -6.731 -3.886 7.472) 10.781 10.450 ( 7.775 4.489 1.056) 9.040 10.711 ( 1.941 1.121 8.255) 8.553 10.942 ( -7.699 -4.445 2.510) 9.237 10.989 ( 1.669 0.964 -3.882) 4.334 11.538 ( 3.139 1.812 -8.613) 9.345 11.800 ( -3.228 -1.864 -0.249) 3.735 11.870 ( 8.659 4.999 -3.803) 10.697 12.602 ( -4.688 -2.707 3.617) 6.510 12.658 ( -13.216 -7.630 -3.703) 15.703 12.909 ( -3.812 -2.201 6.804) 8.103 13.237 ( 0.777 0.449 1.027) 1.364 14.684 ( -10.246 -5.915 -0.398) 11.837 15.594 ( -3.524 -2.035 3.802) 5.569 16.151 ( 5.952 3.436 24.101) 25.062 16.285 ( 8.471 4.891 -19.035) 21.401 16.882 ( -1.640 -0.947 -10.609) 10.776 17.574 ( -6.791 -3.921 12.967) 15.154 18.003 ( 0.962 0.555 6.007) 6.109 18.054 ( 2.159 1.246 -2.283) 3.380 18.390 ( 4.277 2.469 -9.771) 10.948 18.493 ( 5.750 3.320 0.118) 6.641 18.882 ( 8.862 5.117 -0.873) 10.270 19.017 ( -3.833 -2.213 -0.160) 4.428 ======================= Grid point 82 (26/65) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -6.095 -3.519 10.054) 12.272 1.299 ( -0.019 -0.011 -0.417) 0.418 1.378 ( 0.778 0.449 2.315) 2.483 1.430 ( 0.599 0.346 6.004) 6.044 1.498 ( 1.011 0.583 1.890) 2.221 1.556 ( -1.454 -0.840 3.274) 3.680 1.659 ( -2.287 -1.321 39.026) 39.116 1.878 ( -2.640 -1.524 11.929) 12.312 2.754 ( 3.575 2.064 3.627) 5.495 3.236 ( -3.701 -2.137 -28.895) 29.210 3.726 ( 15.282 8.823 -4.709) 18.263 3.872 ( -7.985 -4.610 -2.160) 9.470 3.929 ( -19.027 -10.985 3.097) 22.188 4.182 ( -1.860 -1.074 8.905) 9.160 4.349 ( 0.241 0.139 7.112) 7.117 4.887 ( 10.053 5.804 -3.524) 12.132 5.242 ( -8.008 -4.623 2.374) 9.546 5.463 ( -5.911 -3.413 -2.577) 7.296 5.702 ( 0.814 0.470 -3.150) 3.288 6.056 ( 4.293 2.479 -7.797) 9.239 6.106 ( -0.991 -0.572 2.287) 2.557 6.220 ( -2.799 -1.616 13.518) 13.899 6.304 ( -5.102 -2.945 4.200) 7.234 7.333 ( -3.384 -1.954 0.813) 3.991 8.025 ( -3.805 -2.197 -15.802) 16.402 8.217 ( -2.413 -1.393 9.199) 9.611 8.410 ( -3.171 -1.831 1.887) 4.119 8.737 ( 11.558 6.673 3.963) 13.922 9.434 ( -1.473 -0.850 -3.779) 4.144 9.475 ( 3.511 2.027 -1.262) 4.246 10.187 ( -6.929 -4.000 6.848) 10.531 10.607 ( 5.620 3.245 -3.045) 7.169 10.646 ( -8.070 -4.659 -2.114) 9.555 10.747 ( -9.983 -5.764 2.352) 11.765 11.106 ( 5.746 3.318 2.587) 7.122 11.588 ( 5.911 3.413 -10.896) 12.858 11.760 ( 0.958 0.553 5.785) 5.890 12.024 ( 2.497 1.441 -0.402) 2.911 12.420 ( -0.040 -0.023 -7.481) 7.481 12.522 ( -4.333 -2.501 2.500) 5.593 12.851 ( -4.069 -2.349 2.035) 5.120 13.281 ( 1.485 0.857 3.690) 4.069 14.358 ( -12.899 -7.448 -7.808) 16.818 15.593 ( 0.891 0.515 1.655) 1.949 16.297 ( 4.406 2.544 -20.827) 21.439 16.514 ( 6.466 3.733 34.952) 35.740 16.829 ( 4.217 2.435 -12.907) 13.795 17.521 ( -5.659 -3.267 14.284) 15.708 18.002 ( -3.629 -2.095 -7.723) 8.787 18.066 ( 0.107 0.062 8.534) 8.535 18.406 ( 2.408 1.390 -8.473) 8.917 18.585 ( 0.813 0.469 0.904) 1.303 18.953 ( -0.524 -0.303 -0.723) 0.943 19.078 ( 7.772 4.487 3.414) 9.602 ======================= Grid point 83 (27/65) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -5.566 -3.214 7.126) 9.596 1.253 ( -3.965 -2.289 0.612) 4.619 1.425 ( 1.787 1.032 1.627) 2.627 1.448 ( -1.135 -0.656 0.847) 1.561 1.484 ( -0.536 -0.310 -1.209) 1.359 1.540 ( -1.303 -0.753 0.249) 1.525 1.927 ( -2.522 -1.456 12.064) 12.410 1.973 ( -1.149 -0.663 47.035) 47.054 2.777 ( -8.704 -5.025 -42.808) 43.972 2.922 ( 7.458 4.306 7.561) 11.460 3.461 ( -30.175 -17.422 1.461) 34.874 3.548 ( -14.523 -8.385 2.819) 17.005 4.027 ( 14.935 8.623 -6.764) 18.525 4.207 ( 2.949 1.703 4.229) 5.429 4.511 ( 6.820 3.938 6.433) 10.169 5.021 ( -11.161 -6.444 1.156) 12.940 5.139 ( 12.178 7.031 -2.290) 14.248 5.284 ( -6.260 -3.614 -6.771) 9.904 5.708 ( 1.385 0.800 -3.049) 3.443 5.982 ( -8.858 -5.114 6.444) 12.089 6.071 ( 1.502 0.867 -8.052) 8.237 6.256 ( -1.211 -0.699 4.046) 4.281 6.347 ( 3.473 2.005 9.626) 10.428 7.126 ( -14.311 -8.262 0.278) 16.527 7.859 ( -4.872 -2.813 -6.149) 8.334 8.206 ( -4.826 -2.786 7.995) 9.745 8.304 ( -4.474 -2.583 -1.056) 5.273 9.038 ( 10.035 5.794 -2.591) 11.874 9.406 ( 3.828 2.210 -2.951) 5.315 9.441 ( -5.400 -3.118 2.525) 6.727 10.129 ( -2.575 -1.487 6.481) 7.130 10.410 ( -10.562 -6.098 -0.059) 12.196 10.435 ( -14.217 -8.208 0.829) 16.437 10.755 ( 6.147 3.549 -5.689) 9.097 11.233 ( 5.469 3.158 -0.197) 6.319 11.618 ( 4.632 2.674 -12.902) 13.967 11.928 ( -6.353 -3.668 -1.171) 7.428 11.934 ( 5.701 3.292 13.025) 14.594 12.454 ( -2.357 -1.361 2.317) 3.574 12.605 ( 15.587 8.999 -5.854) 18.927 12.736 ( -6.801 -3.927 -0.839) 7.898 13.349 ( 1.993 1.151 4.208) 4.796 14.075 ( -9.057 -5.229 0.528) 10.472 15.652 ( 4.183 2.415 -0.460) 4.852 16.215 ( 1.987 1.147 -22.144) 22.263 16.874 ( 4.685 2.705 31.572) 32.032 16.884 ( 8.075 4.662 -12.940) 15.949 17.518 ( -3.794 -2.190 15.264) 15.881 17.796 ( -7.835 -4.524 -13.512) 16.261 18.122 ( -0.460 -0.265 8.695) 8.711 18.374 ( -0.825 -0.476 -6.095) 6.169 18.522 ( -5.998 -3.463 0.629) 6.954 18.999 ( 4.015 2.318 -0.240) 4.642 19.270 ( 7.406 4.276 0.113) 8.552 ======================= Grid point 84 (28/65) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -11.842 -6.837 5.143) 14.609 1.120 ( -9.837 -5.680 4.386) 12.177 1.376 ( -6.436 -3.716 0.092) 7.432 1.467 ( 1.191 0.688 0.330) 1.415 1.476 ( 0.499 0.288 -1.943) 2.026 1.507 ( -1.403 -0.810 0.177) 1.629 1.840 ( -11.932 -6.889 10.687) 17.437 1.870 ( -18.381 -10.612 -2.390) 21.359 2.501 ( -26.808 -15.478 -1.981) 31.019 2.844 ( 3.675 2.122 -1.485) 4.495 3.153 ( 8.062 4.654 2.885) 9.746 3.401 ( -0.166 -0.096 6.893) 6.896 4.309 ( 12.595 7.272 -4.873) 15.338 4.329 ( 3.939 2.274 3.979) 6.043 4.676 ( 3.202 1.848 6.309) 7.312 4.737 ( -11.756 -6.787 -3.869) 14.115 5.130 ( -2.893 -1.670 -3.200) 4.625 5.415 ( 11.702 6.756 0.803) 13.536 5.717 ( 1.368 0.790 -2.806) 3.220 5.848 ( -7.354 -4.246 11.984) 14.687 6.059 ( 2.393 1.382 -4.870) 5.599 6.275 ( 0.154 0.089 2.527) 2.533 6.461 ( 0.386 0.223 4.882) 4.902 6.746 ( -19.962 -11.525 10.171) 25.194 7.668 ( -9.066 -5.234 1.999) 10.658 8.052 ( -13.203 -7.623 4.484) 15.891 8.283 ( 3.470 2.004 -4.626) 6.120 9.102 ( 2.667 1.540 -9.902) 10.369 9.357 ( -3.212 -1.855 6.430) 7.423 9.579 ( 9.955 5.748 -3.712) 12.080 10.085 ( -7.018 -4.052 4.641) 9.339 10.103 ( -14.635 -8.449 0.057) 16.899 10.278 ( -2.294 -1.324 13.829) 14.080 10.846 ( 5.823 3.362 -7.248) 9.886 11.377 ( 7.543 4.355 -0.558) 8.728 11.612 ( 3.118 1.800 -17.385) 17.754 11.804 ( -3.639 -2.101 -1.392) 4.426 12.088 ( -1.332 -0.769 11.091) 11.197 12.490 ( 3.854 2.225 3.965) 5.960 12.541 ( -9.573 -5.527 3.448) 11.579 12.920 ( 13.991 8.077 -3.814) 16.599 13.420 ( 2.122 1.225 1.426) 2.835 13.957 ( -4.762 -2.749 9.361) 10.856 15.783 ( 6.795 3.923 2.800) 8.331 16.111 ( 2.653 1.532 -21.998) 22.211 17.007 ( 9.404 5.430 -9.654) 14.530 17.125 ( 1.446 0.835 12.976) 13.083 17.497 ( -9.053 -5.227 -9.673) 14.243 17.541 ( -3.072 -1.774 12.970) 13.447 18.154 ( -1.927 -1.112 7.142) 7.480 18.297 ( -2.639 -1.524 -3.278) 4.476 18.369 ( -6.814 -3.934 0.731) 7.902 19.093 ( 3.790 2.188 0.142) 4.379 19.339 ( 2.139 1.235 -23.145) 23.276 ======================= Grid point 87 (29/65) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.000 9.874 12.981) 16.310 1.106 ( 0.000 7.535 8.198) 11.135 1.315 ( 0.000 0.763 14.313) 14.334 1.450 ( -0.000 -2.119 -0.005) 2.119 1.470 ( -0.000 -0.080 -0.633) 0.638 1.513 ( 0.000 0.796 4.084) 4.161 1.745 ( 0.000 1.880 22.447) 22.525 1.821 ( 0.000 13.655 8.651) 16.165 2.032 ( 0.000 20.490 19.260) 28.121 3.139 ( -0.000 -3.577 -8.761) 9.463 3.309 ( 0.000 -12.885 8.016) 15.175 3.840 ( 0.000 -1.734 16.256) 16.349 4.154 ( -0.000 9.850 -9.919) 13.979 4.350 ( -0.000 4.108 -2.688) 4.909 4.599 ( -0.000 -8.271 -2.024) 8.515 4.781 ( 0.000 3.279 1.547) 3.626 5.531 ( 0.000 -13.290 12.085) 17.964 5.650 ( -0.000 -11.294 -1.018) 11.339 5.748 ( -0.000 -3.890 1.204) 4.072 6.101 ( -0.000 -9.403 -0.777) 9.435 6.152 ( 0.000 1.159 7.196) 7.289 6.350 ( 0.000 2.688 3.900) 4.736 6.396 ( 0.000 12.070 4.944) 13.044 6.862 ( 0.000 4.932 13.351) 14.232 7.657 ( 0.000 7.434 5.182) 9.062 7.790 ( 0.000 20.360 4.367) 20.823 8.303 ( 0.000 -2.461 2.457) 3.477 8.948 ( -0.000 -7.353 -6.243) 9.646 9.331 ( -0.000 7.282 -4.406) 8.511 9.587 ( -0.000 -8.743 -7.682) 11.639 10.008 ( 0.000 6.098 11.972) 13.436 10.104 ( 0.000 7.281 8.981) 11.561 10.788 ( -0.000 -7.446 -6.656) 9.987 10.944 ( 0.000 -3.209 17.889) 18.174 11.139 ( -0.000 7.745 -7.873) 11.044 11.505 ( -0.000 -8.646 -2.641) 9.041 11.698 ( -0.000 0.815 -2.502) 2.631 11.816 ( 0.000 10.682 -4.149) 11.460 12.763 ( 0.000 -1.664 9.523) 9.667 12.990 ( 0.000 -7.030 15.946) 17.427 13.104 ( -0.000 -10.768 -2.316) 11.014 13.337 ( 0.000 5.958 -0.786) 6.009 14.691 ( 0.000 2.115 51.649) 51.692 15.563 ( -0.000 -9.206 -24.271) 25.958 16.061 ( -0.000 15.359 -14.079) 20.836 16.424 ( -0.000 -14.457 -6.446) 15.829 17.111 ( -0.000 -14.412 -1.906) 14.538 17.664 ( 0.000 13.944 2.946) 14.251 17.666 ( 0.000 10.493 5.071) 11.655 18.018 ( -0.000 10.385 -11.375) 15.402 18.129 ( 0.000 6.587 0.550) 6.610 18.334 ( 0.000 2.760 2.160) 3.505 18.369 ( 0.000 2.246 4.159) 4.727 19.161 ( -0.000 -2.097 -0.038) 2.097 ======================= Grid point 88 (30/65) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -0.265 5.109 4.443) 6.776 1.268 ( 3.337 2.282 3.754) 5.517 1.371 ( -0.066 -0.278 4.077) 4.087 1.416 ( -1.054 -2.812 0.417) 3.032 1.471 ( 0.385 -0.320 0.548) 0.742 1.560 ( 0.228 0.683 5.123) 5.174 1.858 ( -4.846 -12.320 32.709) 35.287 2.068 ( 3.278 16.913 7.029) 18.606 2.422 ( 10.669 17.294 -0.145) 20.321 3.018 ( -7.203 1.204 -1.039) 7.377 3.259 ( -4.399 3.992 8.322) 10.225 3.939 ( 2.889 -2.132 17.169) 17.540 4.250 ( 2.668 10.767 -0.435) 11.101 4.427 ( 3.265 -6.187 -5.323) 8.791 4.457 ( 0.469 -5.863 -3.308) 6.748 4.766 ( -6.686 1.527 1.988) 7.141 5.476 ( -1.826 -8.464 5.875) 10.464 5.531 ( 0.306 -10.207 0.327) 10.216 5.683 ( -1.371 -3.845 2.083) 4.583 5.957 ( -2.403 -8.643 -0.433) 8.981 6.163 ( -3.497 1.174 5.184) 6.363 6.410 ( 0.419 0.210 4.911) 4.933 6.609 ( -0.643 12.428 6.350) 13.971 7.001 ( 6.347 6.222 5.971) 10.708 7.714 ( -2.464 7.678 2.047) 8.320 8.143 ( 5.765 12.178 8.924) 16.161 8.367 ( 7.973 1.808 5.420) 9.810 8.882 ( 3.400 1.395 -5.619) 6.714 9.225 ( -13.144 -8.450 -10.189) 18.654 9.453 ( 1.126 0.797 -4.063) 4.291 10.233 ( 5.756 8.188 9.419) 13.744 10.263 ( 4.012 7.130 8.610) 11.877 10.707 ( 1.842 -5.272 -3.018) 6.348 10.982 ( -2.250 -4.611 7.757) 9.300 11.123 ( -2.663 3.067 -4.500) 6.062 11.421 ( 2.346 -8.697 -2.876) 9.456 11.691 ( 1.026 1.286 -4.051) 4.373 11.893 ( -0.164 10.230 -3.458) 10.800 12.741 ( -3.795 -6.172 4.367) 8.460 12.967 ( -1.825 -10.948 1.059) 11.149 13.022 ( 0.593 -6.703 9.326) 11.500 13.320 ( -7.258 3.787 0.585) 8.207 14.972 ( -7.444 -0.865 28.618) 29.583 15.462 ( 12.777 -7.254 -5.266) 15.608 16.143 ( -9.017 -5.629 -9.583) 14.312 16.156 ( 0.892 12.263 -0.474) 12.305 16.957 ( -0.229 -12.846 -4.581) 13.640 17.758 ( -2.751 0.086 9.854) 10.231 17.870 ( 5.716 10.089 2.084) 11.782 18.008 ( -2.101 10.846 -6.411) 12.773 18.247 ( 4.506 5.145 -6.692) 9.568 18.370 ( 0.427 4.564 0.220) 4.589 18.516 ( 9.588 4.100 1.868) 10.594 19.121 ( -1.683 -2.918 -0.038) 3.369 ======================= Grid point 89 (31/65) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 1.154 1.605 2.544) 3.221 1.334 ( 0.747 0.340 0.892) 1.212 1.377 ( -0.838 -3.171 3.176) 4.566 1.388 ( 0.998 1.052 -0.945) 1.730 1.480 ( 0.484 -0.974 2.135) 2.396 1.593 ( -0.467 0.364 3.272) 3.325 1.831 ( -5.471 -17.237 34.947) 39.349 2.256 ( -9.591 20.475 2.526) 22.751 2.632 ( 11.936 -6.297 -2.756) 13.773 2.983 ( -4.764 8.282 8.404) 12.725 3.410 ( 4.586 16.403 -0.532) 17.040 4.099 ( -0.179 0.227 3.109) 3.122 4.175 ( -5.937 -2.442 -3.866) 7.494 4.356 ( -2.458 -8.842 12.769) 15.724 4.530 ( 7.795 -0.910 -5.841) 9.783 4.632 ( -8.378 2.712 -0.292) 8.811 5.364 ( -1.492 -10.756 4.333) 11.692 5.537 ( 3.832 -4.098 0.423) 5.626 5.645 ( -0.485 -4.341 1.124) 4.510 5.874 ( 2.637 -4.911 -3.103) 6.380 6.171 ( -3.184 5.822 3.887) 7.690 6.410 ( -2.688 -2.857 4.589) 6.037 6.648 ( -13.641 11.811 11.940) 21.637 7.274 ( 10.155 10.764 -1.975) 14.930 7.813 ( 8.990 2.391 0.794) 9.336 8.234 ( -0.281 -6.912 8.003) 10.578 8.588 ( 1.743 6.758 6.822) 9.760 8.743 ( -18.189 -11.712 -12.099) 24.788 9.091 ( 15.210 11.703 -4.011) 19.606 9.472 ( 0.418 2.703 -3.634) 4.548 10.406 ( 3.574 4.744 3.652) 6.973 10.439 ( -1.533 2.132 7.857) 8.284 10.729 ( 4.027 -0.714 4.295) 5.931 10.915 ( -1.331 -4.177 -0.979) 4.492 11.052 ( -4.846 -0.338 0.135) 4.860 11.374 ( 4.281 -7.318 -4.926) 9.806 11.718 ( 3.276 1.445 -2.319) 4.265 11.953 ( -1.286 11.093 -4.765) 12.141 12.599 ( -4.331 -11.364 2.091) 12.340 12.810 ( -7.801 -3.449 -2.047) 8.772 13.019 ( -2.966 -5.008 8.934) 10.663 13.222 ( -3.704 -1.097 0.500) 3.895 14.813 ( -12.215 -5.691 -3.602) 13.949 15.618 ( 2.578 -4.397 8.043) 9.523 15.999 ( 5.966 -0.627 -10.975) 12.508 16.344 ( 1.924 8.263 18.377) 20.241 16.809 ( -0.184 -6.507 -6.986) 9.549 17.727 ( -5.328 -3.239 9.798) 11.614 18.034 ( 1.771 6.129 -3.008) 7.053 18.067 ( 0.127 6.024 4.881) 7.754 18.294 ( 2.968 4.381 -9.591) 10.954 18.452 ( 3.751 4.774 0.108) 6.072 18.747 ( 11.065 3.883 0.790) 11.754 19.048 ( -3.032 -3.301 -0.305) 4.492 ======================= Grid point 90 (32/65) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -0.414 -1.459 2.221) 2.689 1.311 ( -1.661 0.101 0.188) 1.674 1.387 ( 0.554 0.141 2.929) 2.985 1.420 ( 1.883 0.903 -1.267) 2.442 1.495 ( 0.640 -0.831 0.634) 1.226 1.592 ( -1.519 -0.161 1.341) 2.032 1.885 ( 0.698 -11.383 35.974) 37.739 2.256 ( -11.788 17.017 6.836) 21.801 2.751 ( 3.133 0.133 11.106) 11.540 3.015 ( 1.987 -3.757 -17.679) 18.182 3.568 ( 1.975 3.665 -2.050) 4.640 3.848 ( -7.885 -13.304 1.536) 15.541 4.178 ( -8.112 -2.488 1.259) 8.578 4.320 ( 0.190 13.911 3.012) 14.235 4.533 ( -9.968 1.595 5.003) 11.267 4.672 ( 13.106 -0.109 -5.254) 14.120 5.236 ( -3.491 -14.597 3.681) 15.454 5.497 ( -3.144 -5.568 -1.240) 6.513 5.622 ( 2.584 -2.150 -1.995) 3.909 5.914 ( 6.614 0.835 -5.141) 8.419 6.187 ( -4.386 2.609 2.161) 5.542 6.352 ( -3.081 -2.224 4.018) 5.530 6.593 ( -16.029 11.259 15.078) 24.719 7.450 ( -1.108 11.213 -1.631) 11.385 7.938 ( -2.442 -4.702 -12.263) 13.359 8.221 ( 13.409 -6.290 1.859) 14.927 8.399 ( -7.120 -3.066 4.976) 9.212 8.663 ( 0.733 -1.856 4.938) 5.326 9.407 ( 8.854 8.490 -1.202) 12.325 9.455 ( -2.017 2.884 -4.952) 6.075 10.349 ( -9.409 -4.161 9.070) 13.715 10.545 ( 4.205 4.377 -0.025) 6.070 10.700 ( -5.742 -5.825 -0.763) 8.215 10.864 ( -4.107 -3.654 0.789) 5.553 11.048 ( 4.001 2.476 1.300) 4.881 11.355 ( 7.080 -6.599 -8.433) 12.837 11.796 ( 2.349 3.187 5.564) 6.829 12.061 ( 3.559 15.193 -5.441) 16.526 12.386 ( -7.462 -10.250 -3.074) 13.046 12.654 ( -7.374 1.625 -0.107) 7.552 12.932 ( -6.535 -2.892 3.765) 8.078 13.220 ( 4.633 -5.854 3.532) 8.259 14.501 ( -14.376 -5.895 -0.451) 15.545 15.600 ( -1.249 -1.947 1.585) 2.804 16.058 ( 8.915 4.879 -24.615) 26.631 16.556 ( 4.333 -8.033 18.036) 20.214 16.804 ( 3.406 6.003 5.344) 8.729 17.680 ( -4.818 -2.592 10.840) 12.143 18.003 ( -4.144 0.172 -6.664) 7.850 18.158 ( -1.383 4.160 8.412) 9.486 18.314 ( 2.617 2.503 -9.265) 9.947 18.581 ( 4.461 4.993 0.890) 6.755 18.955 ( 0.382 -2.137 -0.895) 2.348 18.970 ( 7.018 1.769 0.641) 7.266 ======================= Grid point 91 (33/65) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -3.248 -2.844 3.701) 5.686 1.294 ( -1.834 0.055 -0.185) 1.844 1.422 ( 0.818 0.729 1.152) 1.590 1.444 ( 1.205 0.454 -1.079) 1.680 1.485 ( -0.753 -1.047 -0.120) 1.295 1.565 ( -1.828 -0.376 0.283) 1.888 2.085 ( 0.796 -0.790 27.632) 27.655 2.347 ( -1.968 12.902 12.037) 17.754 2.594 ( -12.670 -11.907 -38.711) 42.436 2.918 ( 0.798 0.172 18.791) 18.809 3.436 ( -10.354 -25.099 5.058) 27.618 3.768 ( 12.405 0.395 -0.664) 12.429 4.076 ( -21.179 10.687 -0.804) 23.736 4.324 ( -7.535 4.427 4.929) 10.033 4.526 ( 4.466 8.086 -0.444) 9.248 4.903 ( 13.460 -0.353 -2.965) 13.787 5.017 ( -3.840 -15.424 2.639) 16.112 5.350 ( -5.602 -3.071 -3.550) 7.309 5.646 ( 2.760 0.059 -2.149) 3.499 5.974 ( 1.577 0.811 -8.039) 8.232 6.112 ( -4.271 -1.342 5.072) 6.765 6.312 ( -3.355 -1.402 2.599) 4.469 6.572 ( -10.039 9.251 14.859) 20.178 7.369 ( -14.242 3.482 -3.441) 15.060 7.792 ( 1.906 0.274 -7.115) 7.371 8.296 ( -5.356 -7.788 1.940) 9.649 8.367 ( -2.684 -2.495 9.197) 9.900 8.800 ( 17.848 -2.288 -0.341) 17.997 9.383 ( -4.038 2.270 -6.307) 7.825 9.523 ( -1.115 3.145 0.835) 3.440 10.237 ( -5.445 -4.623 11.304) 13.372 10.497 ( -9.039 -6.793 0.080) 11.308 10.638 ( -0.750 4.393 -0.680) 4.508 10.708 ( -8.540 -1.717 0.686) 8.738 11.164 ( 5.790 3.846 -1.856) 7.195 11.369 ( 9.229 -5.627 -11.214) 15.575 11.963 ( 5.688 4.263 10.758) 12.894 12.047 ( -10.490 -1.370 -2.578) 10.888 12.369 ( 9.631 6.032 -3.799) 11.982 12.590 ( -2.900 6.035 -0.302) 6.702 12.813 ( -5.988 -2.877 0.733) 6.684 13.279 ( 6.024 -6.498 3.930) 9.693 14.249 ( -12.428 -4.160 9.866) 16.404 15.606 ( 2.624 0.058 0.553) 2.682 16.034 ( 3.786 6.493 -28.088) 29.076 16.633 ( 8.745 -5.969 -0.980) 10.633 17.032 ( 4.844 3.593 17.697) 18.697 17.641 ( -3.826 -5.059 4.113) 7.560 17.844 ( -8.680 0.862 -2.696) 9.130 18.219 ( -2.278 3.025 8.283) 9.107 18.289 ( 0.912 -3.267 -6.219) 7.084 18.654 ( -4.345 5.694 0.236) 7.166 18.924 ( 3.939 -2.396 -0.612) 4.651 19.138 ( 8.365 1.744 -5.259) 10.033 ======================= Grid point 92 (34/65) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -7.288 -5.572 1.830) 9.355 1.236 ( -4.793 -0.904 0.568) 4.910 1.422 ( -1.507 -1.246 -0.355) 1.988 1.443 ( 0.284 -0.865 -3.546) 3.661 1.475 ( -0.137 1.471 0.967) 1.766 1.530 ( -1.778 -0.550 0.032) 1.861 1.916 ( -13.136 -16.635 -23.307) 31.504 2.182 ( -15.636 5.109 7.257) 17.979 2.582 ( 7.106 1.789 6.872) 10.046 2.882 ( -6.537 -13.615 6.151) 16.308 3.252 ( -1.579 -0.978 22.616) 22.692 3.601 ( -29.710 1.741 -2.147) 29.838 4.064 ( 18.182 3.621 -0.513) 18.546 4.428 ( -0.130 14.168 2.067) 14.319 4.622 ( 4.179 -10.025 -2.752) 11.205 4.748 ( -5.576 -6.983 0.915) 8.983 5.159 ( 7.588 -0.002 0.671) 7.618 5.289 ( 3.030 4.690 2.173) 5.992 5.674 ( 1.810 0.374 -2.801) 3.356 5.894 ( -1.539 -4.174 0.046) 4.449 6.087 ( -4.535 3.215 0.798) 5.616 6.282 ( 0.318 -2.560 4.493) 5.180 6.596 ( -4.199 0.974 8.802) 9.801 7.110 ( -20.163 5.832 0.780) 21.004 7.732 ( -7.069 -10.733 9.521) 15.994 8.137 ( 0.440 -2.996 -6.177) 6.879 8.334 ( -6.963 0.134 7.034) 9.899 9.033 ( 6.450 3.638 -4.881) 8.869 9.305 ( 2.430 -3.557 -4.786) 6.439 9.518 ( -0.822 2.418 -0.355) 2.579 10.220 ( -4.476 -2.603 10.479) 11.688 10.285 ( -10.722 -4.999 3.208) 12.257 10.457 ( -11.545 -1.518 10.410) 15.619 10.763 ( 4.695 5.935 -3.127) 8.188 11.299 ( 6.837 4.858 -4.546) 9.540 11.389 ( 6.492 -2.185 -10.574) 12.598 11.863 ( -4.956 -0.860 -5.342) 7.338 12.158 ( 0.383 -0.883 9.431) 9.480 12.444 ( 3.658 -1.322 0.964) 4.007 12.682 ( -5.226 -1.134 6.776) 8.632 12.781 ( 9.069 11.109 -3.605) 14.787 13.339 ( 5.575 -5.804 1.384) 8.166 14.143 ( -8.420 -2.195 19.720) 21.554 15.708 ( 7.382 1.428 3.061) 8.118 15.964 ( 1.899 9.198 -26.820) 28.416 16.730 ( 10.506 -5.631 -5.335) 13.059 17.202 ( -0.129 3.361 -1.356) 3.627 17.460 ( -2.859 -10.558 -0.337) 10.944 17.776 ( -8.002 4.767 11.558) 14.844 18.200 ( -0.363 -7.987 -3.371) 8.677 18.257 ( -2.788 2.772 6.587) 7.671 18.566 ( -10.049 3.818 0.274) 10.753 19.003 ( 6.496 -1.149 -3.283) 7.369 19.165 ( 1.482 0.704 -18.649) 18.721 ======================= Grid point 96 (35/65) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 0.000 2.201 1.464) 2.644 1.275 ( 0.000 -0.841 4.567) 4.644 1.384 ( 0.000 -0.476 1.128) 1.224 1.404 ( 0.000 -2.709 1.342) 3.024 1.460 ( -0.000 -0.108 -0.598) 0.608 1.601 ( 0.000 0.670 4.441) 4.492 1.914 ( 0.000 -24.675 27.051) 36.615 2.100 ( 0.000 5.462 -1.764) 5.739 2.688 ( 0.000 36.485 -2.002) 36.540 3.048 ( -0.000 7.155 -6.324) 9.549 3.569 ( 0.000 9.831 25.865) 27.670 3.938 ( 0.000 -5.548 14.175) 15.222 4.313 ( -0.000 -2.483 -3.332) 4.156 4.327 ( 0.000 -4.671 6.878) 8.314 4.370 ( -0.000 5.133 -13.277) 14.235 4.856 ( 0.000 1.268 1.196) 1.744 5.402 ( -0.000 -9.643 -1.001) 9.695 5.453 ( 0.000 -9.486 6.700) 11.613 5.688 ( 0.000 -4.734 2.391) 5.303 5.891 ( -0.000 -8.750 -2.451) 9.087 6.215 ( 0.000 -0.909 4.336) 4.431 6.448 ( 0.000 1.031 3.915) 4.048 6.661 ( 0.000 6.419 3.756) 7.438 7.070 ( 0.000 4.565 5.246) 6.955 7.919 ( 0.000 13.475 -1.439) 13.551 8.267 ( 0.000 -7.450 7.207) 10.366 8.333 ( 0.000 24.599 7.493) 25.715 8.846 ( -0.000 2.082 -2.135) 2.982 9.266 ( -0.000 -12.194 -6.283) 13.717 9.337 ( -0.000 1.190 -8.405) 8.489 10.344 ( 0.000 6.206 6.738) 9.161 10.367 ( 0.000 12.749 10.938) 16.798 10.609 ( -0.000 -2.649 -2.456) 3.612 11.002 ( -0.000 -6.035 2.690) 6.607 11.150 ( -0.000 2.573 -3.842) 4.624 11.310 ( -0.000 -8.402 0.874) 8.448 11.657 ( -0.000 0.236 -4.338) 4.345 11.969 ( 0.000 10.403 -4.304) 11.258 12.766 ( 0.000 -5.936 5.435) 8.048 12.786 ( -0.000 -18.434 -1.329) 18.482 13.030 ( 0.000 -5.681 7.013) 9.025 13.437 ( 0.000 3.152 1.193) 3.370 15.111 ( -0.000 -6.539 -16.076) 17.355 15.353 ( 0.000 1.068 30.896) 30.915 16.065 ( -0.000 -7.820 -14.716) 16.664 16.315 ( 0.000 11.891 13.921) 18.308 16.793 ( -0.000 -13.844 -2.024) 13.991 17.823 ( 0.000 -2.181 4.408) 4.918 17.964 ( 0.000 10.380 6.368) 12.178 18.082 ( -0.000 13.195 -13.253) 18.702 18.229 ( -0.000 5.176 -3.074) 6.020 18.448 ( 0.000 5.634 3.265) 6.512 18.459 ( 0.000 2.491 2.089) 3.251 19.101 ( -0.000 -3.805 -0.087) 3.806 ======================= Grid point 97 (36/65) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.181 -1.626 3.432) 3.802 1.303 ( 2.843 -3.739 3.975) 6.153 1.383 ( -0.896 -0.659 -0.138) 1.121 1.392 ( -0.046 -0.041 2.091) 2.092 1.462 ( 0.759 -0.508 -0.228) 0.941 1.625 ( -0.478 0.247 2.283) 2.346 1.838 ( 0.793 -23.042 22.237) 32.032 2.234 ( 14.369 -0.038 -3.476) 14.784 2.766 ( -17.272 22.280 -3.805) 28.446 3.261 ( 3.376 18.096 -2.275) 18.548 3.640 ( -11.886 9.478 19.409) 24.654 4.062 ( -0.277 -9.513 -2.029) 9.731 4.244 ( 3.477 7.454 4.866) 9.557 4.270 ( 1.989 -8.615 -1.220) 8.925 4.441 ( 1.856 0.326 -0.047) 1.885 4.779 ( -7.798 -0.615 -2.009) 8.076 5.314 ( -1.456 -8.333 4.257) 9.470 5.428 ( 3.486 -5.639 1.770) 6.862 5.636 ( -1.667 -6.434 2.342) 7.047 5.791 ( -0.169 -3.694 -2.645) 4.546 6.244 ( 0.911 1.260 2.656) 3.078 6.454 ( -2.353 -1.452 2.677) 3.849 6.907 ( 14.729 6.839 4.472) 16.843 7.134 ( 0.912 3.227 5.433) 6.385 7.892 ( -10.296 10.860 -3.655) 15.405 8.216 ( -2.567 -7.887 0.740) 8.327 8.685 ( 2.396 11.014 7.528) 13.554 8.893 ( -13.412 -4.865 -4.543) 14.973 8.966 ( 7.579 7.620 -0.065) 10.747 9.392 ( 7.112 -0.693 -7.751) 10.543 10.450 ( 0.882 5.588 4.900) 7.485 10.541 ( 0.543 4.294 4.906) 6.542 10.655 ( 3.291 3.191 3.310) 5.655 10.919 ( -2.794 -5.386 -0.711) 6.109 11.104 ( -2.437 -1.423 -2.592) 3.832 11.253 ( -0.082 -5.991 0.826) 6.048 11.667 ( 3.393 3.443 -3.461) 5.945 12.033 ( -0.470 9.727 -5.056) 10.973 12.548 ( -3.213 -16.597 1.432) 16.966 12.786 ( 3.047 -7.456 2.199) 8.350 13.004 ( -0.448 -6.166 5.069) 7.995 13.383 ( -9.190 1.731 0.102) 9.352 14.908 ( -7.705 -4.133 -4.810) 9.980 15.568 ( 5.717 0.696 8.072) 9.916 15.859 ( -1.618 -4.589 -17.508) 18.171 16.538 ( -1.151 2.064 22.619) 22.742 16.686 ( 2.933 -5.730 0.094) 6.438 17.796 ( -1.737 -4.471 3.702) 6.059 18.079 ( -1.006 7.681 -2.540) 8.152 18.150 ( 2.232 8.674 -0.051) 8.957 18.256 ( 0.595 5.577 -5.803) 8.070 18.466 ( -0.424 3.394 1.308) 3.662 18.630 ( 8.210 4.258 3.401) 9.854 19.048 ( -1.469 -4.136 -0.299) 4.399 ======================= Grid point 98 (37/65) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 0.914 -1.434 2.675) 3.169 1.338 ( -0.664 -0.523 0.414) 0.941 1.372 ( 2.595 -1.669 2.576) 4.019 1.411 ( 0.018 0.790 1.649) 1.828 1.472 ( 1.115 -0.761 -0.027) 1.350 1.618 ( -1.156 -0.545 0.323) 1.318 1.843 ( 6.895 -19.882 24.522) 32.313 2.512 ( 19.762 -2.179 -0.497) 19.888 2.664 ( -15.372 21.942 -4.102) 27.103 3.156 ( -18.350 0.055 -11.483) 21.646 3.723 ( -8.886 6.240 13.564) 17.375 3.892 ( -6.257 -8.546 4.364) 11.455 4.153 ( 1.878 -8.395 -4.846) 9.874 4.455 ( 5.270 -3.293 2.658) 6.759 4.492 ( 3.909 15.343 2.118) 15.974 4.649 ( -4.359 1.736 -8.135) 9.391 5.223 ( -5.420 -9.201 6.611) 12.560 5.420 ( 1.789 -9.758 -0.613) 9.939 5.574 ( 0.621 -2.139 0.067) 2.228 5.806 ( 4.413 2.066 -2.750) 5.595 6.289 ( -1.258 2.402 1.855) 3.285 6.384 ( -3.111 -3.741 1.473) 5.083 7.082 ( -12.021 8.048 16.400) 21.868 7.423 ( 21.028 7.928 -1.842) 22.548 7.843 ( 0.561 3.807 -2.316) 4.491 7.950 ( -7.666 -11.494 -17.440) 22.250 8.624 ( -11.216 -0.478 10.144) 15.130 8.707 ( -4.970 -3.641 2.985) 6.846 9.330 ( 11.879 11.416 1.600) 16.553 9.437 ( 3.693 1.995 -6.841) 8.026 10.522 ( -4.636 1.604 3.626) 6.100 10.562 ( -2.787 1.546 5.240) 6.133 10.673 ( 0.753 -5.839 -2.857) 6.544 10.847 ( 0.072 -0.552 -0.668) 0.869 11.048 ( -0.664 -2.118 0.300) 2.240 11.192 ( 0.180 -4.970 -2.967) 5.791 11.811 ( 5.620 7.571 3.806) 10.168 12.096 ( 2.357 12.072 -7.476) 14.394 12.377 ( -2.895 -11.893 1.201) 12.299 12.743 ( -2.472 -2.043 -1.390) 3.496 12.981 ( 1.284 -8.879 6.369) 11.002 13.204 ( -10.072 -0.917 -0.466) 10.125 14.706 ( -12.215 -3.040 5.931) 13.915 15.613 ( -2.130 -3.146 0.527) 3.836 15.774 ( 9.519 4.434 -25.320) 27.411 16.518 ( -0.964 -8.198 3.832) 9.101 16.862 ( 4.387 2.805 18.765) 19.475 17.742 ( -1.938 -4.781 2.175) 5.599 18.065 ( -4.180 2.965 -2.491) 5.698 18.231 ( 2.155 3.678 -6.468) 7.746 18.313 ( -1.756 6.750 5.320) 8.772 18.537 ( 5.163 3.043 0.280) 6.000 18.829 ( 8.619 2.451 1.370) 9.065 18.971 ( -2.621 -3.642 -0.543) 4.520 ======================= Grid point 99 (38/65) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -1.662 -1.818 2.269) 3.349 1.318 ( -0.946 -0.019 0.155) 0.958 1.409 ( 0.955 -0.235 -1.268) 1.605 1.436 ( 0.578 0.690 1.723) 1.944 1.479 ( 0.555 -0.468 0.155) 0.742 1.587 ( -1.387 -0.916 -0.697) 1.802 2.016 ( 13.277 -19.756 26.039) 35.279 2.484 ( -16.069 -9.434 -33.347) 38.200 2.641 ( -10.273 22.995 -3.066) 25.372 2.953 ( 10.920 -0.096 7.019) 12.982 3.509 ( -14.210 -19.687 9.861) 26.206 3.740 ( -7.487 1.125 11.078) 13.418 4.253 ( 10.065 2.816 -2.975) 10.866 4.488 ( -9.448 3.210 -7.973) 12.773 4.571 ( -0.989 7.151 0.989) 7.287 4.717 ( 9.625 4.110 2.494) 10.758 5.020 ( -9.647 -10.905 3.379) 14.947 5.324 ( -0.054 -6.423 -2.452) 6.875 5.600 ( 2.114 0.871 -0.623) 2.370 5.899 ( 4.445 3.689 -4.625) 7.400 6.223 ( -6.197 -1.785 4.519) 7.875 6.350 ( -0.939 -1.064 -0.354) 1.462 6.936 ( -16.827 -6.772 12.322) 21.928 7.598 ( -10.132 11.201 -7.759) 16.980 7.752 ( 3.045 10.130 -5.554) 11.947 8.081 ( 22.158 -5.894 -1.420) 22.972 8.506 ( -9.718 -10.917 1.647) 14.708 8.599 ( -0.384 -1.303 10.477) 10.565 9.429 ( -0.890 3.395 -6.247) 7.166 9.555 ( 2.319 4.173 1.425) 4.982 10.355 ( -8.524 -7.232 5.380) 12.406 10.564 ( -3.472 -2.877 -0.056) 4.510 10.641 ( 1.191 3.278 0.814) 3.581 10.846 ( -3.651 -0.498 1.300) 3.907 11.090 ( 7.257 2.093 -1.317) 7.666 11.133 ( 2.101 -2.733 -5.978) 6.901 11.963 ( 2.383 0.323 4.653) 5.238 12.198 ( -8.183 -3.387 1.355) 8.959 12.290 ( 7.867 13.158 -4.516) 15.982 12.685 ( -2.677 2.868 -1.176) 4.096 12.895 ( -6.410 -4.666 1.452) 8.060 13.114 ( 4.300 -8.138 2.670) 9.583 14.533 ( -13.241 -2.237 16.124) 20.984 15.561 ( 1.499 -1.608 -4.227) 4.764 15.817 ( 7.730 8.021 -25.470) 27.800 16.481 ( 2.652 -4.880 1.290) 5.702 17.073 ( 4.778 -0.108 15.875) 16.579 17.626 ( -4.472 -7.274 -6.039) 10.458 18.007 ( -5.184 3.195 3.452) 7.000 18.211 ( -0.082 -2.280 -6.022) 6.440 18.375 ( -3.813 5.469 8.747) 10.999 18.689 ( 7.840 4.219 -1.593) 9.044 18.872 ( -3.995 -2.899 -0.955) 5.028 18.981 ( 7.336 0.195 -3.055) 7.949 ======================= Grid point 100 (39/65) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -6.453 -5.338 -2.136) 8.643 1.294 ( -2.182 -0.244 0.960) 2.396 1.395 ( -0.011 -0.801 -3.397) 3.490 1.436 ( -1.028 -1.044 -0.710) 1.628 1.493 ( 0.154 0.921 0.304) 0.982 1.546 ( -1.347 -1.408 -1.381) 2.388 1.760 ( -11.119 -20.617 -19.256) 30.323 2.263 ( 7.466 -14.472 9.409) 18.807 2.728 ( -7.530 25.961 -1.046) 27.051 2.877 ( -8.791 -15.054 -0.671) 17.446 3.484 ( 1.784 2.383 26.029) 26.199 3.792 ( 9.126 0.556 2.175) 9.399 4.156 ( -23.978 -1.505 -3.443) 24.271 4.378 ( 4.379 -8.026 -2.538) 9.488 4.597 ( -2.500 13.063 -2.524) 13.537 4.785 ( -6.084 -8.304 -1.314) 10.378 4.971 ( 13.410 0.409 5.752) 14.597 5.330 ( 2.239 4.563 1.717) 5.364 5.634 ( 1.512 0.925 -1.918) 2.611 5.915 ( -2.310 3.468 -4.564) 6.180 6.195 ( -1.943 0.682 5.649) 6.012 6.283 ( -2.773 -3.767 0.394) 4.695 6.660 ( -6.940 -16.629 6.262) 19.076 7.526 ( -14.644 20.072 -3.681) 25.117 7.843 ( -4.082 -4.410 10.649) 12.228 8.066 ( -3.584 -4.253 -7.802) 9.581 8.418 ( 2.512 -5.185 6.580) 8.746 8.772 ( 16.227 -0.551 -0.793) 16.256 9.360 ( -7.549 4.979 -5.795) 10.741 9.562 ( -2.519 -1.300 1.040) 3.019 10.258 ( 0.385 -7.335 8.072) 10.914 10.454 ( -8.655 1.393 2.379) 9.084 10.681 ( -6.374 -1.329 0.968) 6.583 10.768 ( -0.633 3.346 5.138) 6.164 11.121 ( 6.236 -3.512 -8.410) 11.043 11.287 ( 7.457 10.309 -2.405) 12.949 11.880 ( -4.652 -5.702 -3.670) 8.224 12.206 ( 0.254 2.123 7.684) 7.976 12.394 ( 0.306 -0.561 -2.658) 2.733 12.742 ( 3.489 8.238 0.035) 8.946 12.783 ( -2.404 -2.638 1.876) 4.032 13.165 ( 7.450 -6.546 1.330) 10.006 14.451 ( -10.288 -1.497 24.668) 26.769 15.585 ( 6.841 -0.077 -6.933) 9.740 15.850 ( 3.767 10.649 -19.102) 22.192 16.524 ( 5.645 -3.111 -0.878) 6.505 17.210 ( -0.061 2.008 -2.654) 3.328 17.401 ( -2.825 -11.214 1.254) 11.632 17.995 ( -4.951 3.054 6.608) 8.804 18.126 ( -1.179 -5.673 -2.071) 6.153 18.401 ( -4.816 4.474 6.089) 8.960 18.742 ( -7.238 -2.983 -0.863) 7.876 18.834 ( 6.841 3.575 -6.544) 10.120 19.041 ( 3.784 -0.078 -7.338) 8.257 ======================= Grid point 105 (40/65) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 0.000 -15.568 14.367) 21.184 1.279 ( 0.000 0.779 0.194) 0.803 1.385 ( -0.000 -0.130 -0.562) 0.577 1.412 ( 0.000 0.725 2.308) 2.419 1.451 ( -0.000 0.012 -0.575) 0.575 1.639 ( 0.000 -0.460 0.583) 0.743 1.766 ( 0.000 -16.987 17.436) 24.343 2.066 ( -0.000 -1.275 -2.665) 2.955 3.193 ( -0.000 15.020 -7.303) 16.702 3.298 ( 0.000 25.121 -3.697) 25.392 3.927 ( -0.000 -9.209 -4.122) 10.089 4.028 ( 0.000 5.466 7.411) 9.209 4.171 ( 0.000 -10.920 12.387) 16.514 4.230 ( -0.000 2.622 -2.071) 3.341 4.447 ( -0.000 9.602 -7.959) 12.472 4.816 ( -0.000 -7.205 -0.219) 7.208 5.313 ( 0.000 -2.613 4.480) 5.186 5.335 ( 0.000 -9.358 4.995) 10.608 5.593 ( -0.000 -8.378 2.004) 8.614 5.760 ( -0.000 -0.482 -1.397) 1.478 6.240 ( 0.000 -0.096 0.482) 0.491 6.480 ( 0.000 -1.477 1.332) 1.989 6.737 ( -0.000 0.068 -0.531) 0.535 7.228 ( 0.000 3.060 6.792) 7.449 8.090 ( -0.000 0.714 -1.662) 1.809 8.184 ( -0.000 2.950 -6.494) 7.133 8.884 ( -0.000 2.147 -1.092) 2.409 8.891 ( 0.000 18.703 9.263) 20.871 9.062 ( 0.000 -5.551 4.998) 7.469 9.144 ( -0.000 -3.675 -14.339) 14.802 10.527 ( 0.000 3.732 4.681) 5.986 10.546 ( -0.000 0.776 -0.414) 0.879 10.779 ( 0.000 8.583 7.469) 11.378 10.876 ( -0.000 -4.870 -1.929) 5.238 11.071 ( -0.000 -3.541 -2.852) 4.547 11.233 ( -0.000 -2.612 -0.249) 2.624 11.654 ( 0.000 7.314 -2.344) 7.680 12.096 ( -0.000 8.963 -5.107) 10.316 12.380 ( -0.000 -21.831 1.447) 21.879 12.705 ( 0.000 -7.981 5.599) 9.749 12.985 ( -0.000 -3.845 0.977) 3.967 13.478 ( -0.000 1.374 -1.628) 2.130 14.939 ( 0.000 -0.704 2.949) 3.032 15.551 ( -0.000 3.648 -9.815) 10.471 15.697 ( -0.000 -7.784 -11.931) 14.246 16.559 ( -0.000 -7.936 0.467) 7.950 16.777 ( 0.000 2.591 25.675) 25.805 17.774 ( -0.000 -4.769 0.836) 4.842 18.157 ( -0.000 8.981 -7.147) 11.477 18.159 ( -0.000 2.106 -1.034) 2.346 18.282 ( 0.000 6.286 -2.393) 6.726 18.528 ( 0.000 2.975 0.735) 3.064 18.630 ( 0.000 4.037 8.059) 9.014 19.016 ( -0.000 -4.164 -0.376) 4.181 ======================= Grid point 106 (41/65) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 4.421 -11.502 13.697) 18.424 1.302 ( 2.119 -0.361 1.215) 2.469 1.370 ( -1.029 -0.559 0.150) 1.181 1.434 ( -0.182 0.468 2.377) 2.430 1.453 ( 0.565 0.111 -0.301) 0.650 1.624 ( -0.742 -1.412 -0.418) 1.649 1.746 ( 1.574 -13.113 17.732) 22.110 2.190 ( 14.963 -0.129 0.814) 14.985 3.114 ( -15.390 18.305 -4.076) 24.260 3.325 ( -16.128 0.192 -21.674) 27.017 3.854 ( 7.816 -0.443 -2.829) 8.324 3.986 ( -8.184 -13.699 3.260) 16.287 4.101 ( -1.212 3.849 9.838) 10.634 4.325 ( 1.249 -1.720 -6.889) 7.209 4.516 ( 3.118 4.559 0.211) 5.527 4.713 ( -1.503 3.232 -3.110) 4.730 5.283 ( -2.699 -9.849 1.776) 10.366 5.294 ( -0.622 -5.924 6.305) 8.673 5.543 ( 0.999 -2.436 1.525) 3.042 5.768 ( 1.166 2.072 -0.062) 2.378 6.270 ( 3.326 -0.558 -0.397) 3.396 6.430 ( -3.829 -2.295 -0.212) 4.469 6.963 ( 25.666 -1.048 -1.688) 25.742 7.300 ( -1.135 -0.433 10.553) 10.623 7.901 ( -7.916 -6.825 -16.190) 19.270 8.121 ( -13.892 13.625 1.417) 19.510 8.778 ( -8.531 -4.968 -0.100) 9.873 8.844 ( -8.338 -0.943 0.432) 8.403 9.221 ( 11.071 0.554 -0.388) 11.092 9.298 ( 11.917 9.300 1.973) 15.245 10.566 ( 0.916 -1.334 -0.167) 1.627 10.572 ( 1.601 0.808 0.560) 1.878 10.756 ( -10.403 -1.742 0.610) 10.565 10.839 ( 0.287 0.491 -0.236) 0.616 11.033 ( -0.076 -2.239 0.704) 2.348 11.168 ( -2.796 -2.734 -2.483) 4.633 11.828 ( 6.239 13.384 3.455) 15.166 12.121 ( -0.296 4.918 -5.902) 7.689 12.243 ( 4.148 -12.420 1.434) 13.172 12.682 ( 2.269 -7.854 3.551) 8.913 12.939 ( -1.250 -3.840 0.236) 4.046 13.388 ( -9.511 0.651 -2.549) 9.868 14.926 ( -8.210 0.494 11.204) 13.899 15.448 ( 6.701 -2.698 -29.497) 30.369 15.634 ( -0.075 0.800 0.128) 0.814 16.497 ( -1.499 -4.015 2.198) 4.816 16.959 ( 1.618 -1.225 20.826) 20.924 17.724 ( -1.342 -4.204 -0.586) 4.452 18.122 ( -1.528 0.542 -4.846) 5.110 18.198 ( 0.250 5.025 -5.538) 7.483 18.371 ( 4.797 4.260 -0.012) 6.415 18.545 ( -1.628 2.803 3.453) 4.736 18.759 ( 4.219 1.175 6.339) 7.705 18.968 ( -1.148 -2.527 -0.526) 2.825 ======================= Grid point 107 (42/65) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 1.841 -4.381 3.964) 6.189 1.329 ( -0.418 -0.538 -0.392) 0.786 1.374 ( 2.031 -1.375 2.433) 3.455 1.445 ( -0.036 -0.243 1.060) 1.088 1.469 ( 0.733 0.438 1.078) 1.376 1.586 ( -1.077 -1.917 -0.809) 2.343 1.820 ( 6.224 -16.714 24.242) 30.096 2.453 ( 1.328 -1.361 -6.236) 6.520 2.786 ( -5.273 -1.642 -23.628) 24.265 3.010 ( -12.786 11.473 -0.742) 17.195 3.601 ( -14.412 -14.779 -0.176) 20.643 3.984 ( 5.088 -6.815 -4.336) 9.546 4.100 ( -8.940 7.612 9.184) 14.907 4.437 ( 13.633 0.433 -2.152) 13.808 4.544 ( 4.272 -1.881 -0.501) 4.695 4.790 ( -2.781 11.995 -2.593) 12.584 5.070 ( -7.125 -13.863 -1.223) 15.635 5.269 ( -0.421 -1.076 2.136) 2.428 5.580 ( 1.550 1.027 1.302) 2.269 5.842 ( 4.064 2.720 0.581) 4.925 6.306 ( 1.485 -2.593 -2.924) 4.181 6.327 ( -4.008 -1.498 1.560) 4.554 7.100 ( -12.014 -19.577 -1.447) 23.015 7.494 ( 27.901 1.748 0.867) 27.969 7.744 ( 2.769 9.766 -5.441) 11.517 8.040 ( -13.349 14.139 2.702) 19.632 8.528 ( -10.684 -12.331 -1.442) 16.379 8.729 ( -4.892 -1.350 1.172) 5.208 9.358 ( 7.405 -0.341 -1.375) 7.539 9.548 ( 4.859 4.375 2.106) 6.870 10.450 ( -9.707 -7.698 -3.942) 13.001 10.561 ( 0.390 -2.104 0.166) 2.146 10.657 ( 1.042 2.639 0.382) 2.862 10.866 ( 0.565 -0.036 0.205) 0.602 11.030 ( -1.608 -0.745 2.443) 3.018 11.102 ( 1.399 2.954 -2.594) 4.173 11.968 ( -1.082 -3.133 4.062) 5.243 12.218 ( 4.216 0.703 0.824) 4.353 12.272 ( 5.353 10.185 -3.743) 12.100 12.683 ( 3.209 -2.223 0.002) 3.904 12.880 ( -0.550 -6.362 1.761) 6.624 13.172 ( -12.373 -0.083 -2.350) 12.595 14.807 ( -9.670 -3.103 5.065) 11.349 15.411 ( 6.233 0.751 -12.222) 13.740 15.674 ( 3.691 4.894 -4.533) 7.623 16.460 ( -1.705 -0.749 2.304) 2.963 17.101 ( 2.988 -2.276 15.006) 15.469 17.603 ( -5.438 -5.694 -5.817) 9.789 18.085 ( 0.098 0.719 -2.507) 2.610 18.173 ( -2.241 -0.856 -3.076) 3.900 18.496 ( 6.359 0.993 -0.681) 6.472 18.593 ( -1.275 4.353 5.893) 7.437 18.852 ( 5.048 -3.240 0.684) 6.037 18.933 ( -2.368 1.780 0.835) 3.077 ======================= Grid point 108 (43/65) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -4.239 -7.342 0.000) 8.477 1.313 ( -0.256 -0.444 0.000) 0.512 1.384 ( -0.582 -1.008 0.000) 1.163 1.435 ( -1.431 -2.478 -0.000) 2.861 1.496 ( 0.622 1.078 0.000) 1.245 1.534 ( -2.380 -4.122 0.000) 4.760 1.686 ( -11.965 -20.724 0.000) 23.930 2.132 ( -2.570 -4.451 -0.000) 5.139 2.816 ( -6.095 -10.557 -0.000) 12.190 3.087 ( 9.789 16.956 -0.000) 19.579 3.387 ( 2.598 4.499 0.000) 5.195 3.899 ( -3.477 -6.022 -0.000) 6.953 4.093 ( -0.525 -0.910 -0.000) 1.051 4.491 ( -3.780 -6.546 -0.000) 7.559 4.709 ( -3.973 -6.882 -0.000) 7.947 4.767 ( 1.841 3.189 -0.000) 3.683 4.847 ( 1.983 3.435 0.000) 3.966 5.334 ( 3.675 6.365 -0.000) 7.349 5.619 ( 1.005 1.740 -0.000) 2.009 5.942 ( 2.427 4.203 -0.000) 4.854 6.221 ( -1.769 -3.063 -0.000) 3.537 6.309 ( -1.218 -2.109 0.000) 2.435 6.646 ( -12.028 -20.833 -0.000) 24.055 7.843 ( 6.219 10.772 -0.000) 12.438 7.879 ( -5.962 -10.326 0.000) 11.924 8.087 ( 8.621 14.932 0.000) 17.241 8.221 ( -4.660 -8.070 -0.000) 9.319 8.671 ( -0.847 -1.466 -0.000) 1.693 9.443 ( 1.365 2.363 -0.000) 2.729 9.582 ( -1.373 -2.378 -0.000) 2.746 10.236 ( -3.759 -6.511 0.000) 7.519 10.578 ( 0.925 1.602 -0.000) 1.850 10.684 ( 0.032 0.056 -0.000) 0.065 10.837 ( -1.642 -2.844 -0.000) 3.284 11.001 ( 0.088 0.152 0.000) 0.176 11.268 ( 6.873 11.904 -0.000) 13.745 11.874 ( -4.131 -7.155 -0.000) 8.262 12.273 ( 2.515 4.356 -0.000) 5.030 12.368 ( -1.932 -3.346 -0.000) 3.864 12.768 ( 3.064 5.307 0.000) 6.128 12.782 ( -4.231 -7.329 -0.000) 8.463 13.054 ( 1.343 2.325 -0.000) 2.685 14.663 ( -3.144 -5.446 0.000) 6.289 15.459 ( 1.605 2.780 -0.000) 3.210 15.805 ( 5.159 8.935 -0.000) 10.318 16.461 ( 0.588 1.019 -0.000) 1.177 17.212 ( 1.082 1.874 0.000) 2.164 17.371 ( -5.941 -10.290 -0.000) 11.882 18.084 ( -2.751 -4.765 -0.000) 5.502 18.093 ( 0.312 0.540 0.000) 0.623 18.563 ( 0.044 0.077 -0.000) 0.089 18.624 ( -0.261 -0.452 0.000) 0.522 18.906 ( 1.420 2.460 0.000) 2.840 18.932 ( 0.689 1.194 -0.000) 1.378 ======================= Grid point 115 (44/65) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 0.000 -11.517 20.232) 23.280 1.287 ( 0.000 -0.184 0.130) 0.225 1.377 ( 0.000 -0.306 0.384) 0.491 1.445 ( -0.000 0.408 -0.790) 0.889 1.457 ( 0.000 -0.128 2.755) 2.758 1.610 ( -0.000 -1.725 -1.165) 2.082 1.747 ( 0.000 -9.800 17.995) 20.491 2.072 ( 0.000 2.994 1.169) 3.214 3.386 ( -0.000 13.765 -12.493) 18.589 3.388 ( -0.000 -2.442 -19.314) 19.468 3.652 ( -0.000 -4.782 -7.306) 8.732 3.958 ( -0.000 -15.955 1.022) 15.987 3.974 ( -0.000 -3.665 -5.632) 6.720 4.363 ( -0.000 0.461 -2.901) 2.937 4.592 ( -0.000 -4.809 -2.498) 5.419 4.689 ( 0.000 12.613 5.563) 13.785 5.265 ( 0.000 -5.438 4.791) 7.248 5.272 ( -0.000 -8.260 1.554) 8.405 5.536 ( 0.000 0.934 3.225) 3.358 5.797 ( 0.000 2.079 3.080) 3.716 6.216 ( -0.000 -1.454 -2.145) 2.591 6.435 ( -0.000 -2.326 -2.039) 3.093 6.680 ( -0.000 -1.791 -4.985) 5.297 7.362 ( 0.000 -4.377 11.002) 11.840 7.819 ( -0.000 0.052 -17.264) 17.264 8.359 ( 0.000 4.558 2.774) 5.336 8.796 ( -0.000 -7.827 -15.806) 17.638 8.871 ( -0.000 1.507 -2.384) 2.820 9.123 ( 0.000 -1.628 10.167) 10.297 9.317 ( 0.000 9.731 7.570) 12.329 10.540 ( -0.000 -5.476 -1.247) 5.616 10.543 ( -0.000 0.244 -0.609) 0.656 10.807 ( -0.000 -0.460 -5.912) 5.930 10.830 ( -0.000 -7.618 -1.260) 7.721 11.026 ( 0.000 2.913 0.466) 2.950 11.181 ( 0.000 -0.816 1.359) 1.585 11.964 ( 0.000 19.813 5.675) 20.610 12.031 ( -0.000 -15.679 3.933) 16.165 12.179 ( -0.000 8.304 -7.452) 11.157 12.607 ( -0.000 -8.348 3.703) 9.132 12.915 ( -0.000 -2.168 -2.954) 3.664 13.456 ( -0.000 0.560 -3.757) 3.799 15.073 ( -0.000 -8.303 -37.120) 38.038 15.162 ( 0.000 4.690 22.092) 22.584 15.647 ( -0.000 2.612 -1.880) 3.218 16.519 ( 0.000 0.925 3.907) 4.015 17.053 ( 0.000 -4.769 18.686) 19.285 17.704 ( -0.000 -2.388 -0.551) 2.451 18.059 ( -0.000 -2.353 -10.318) 10.583 18.236 ( 0.000 4.906 -1.832) 5.237 18.336 ( -0.000 1.284 -2.624) 2.921 18.584 ( 0.000 -0.193 1.363) 1.376 18.808 ( 0.000 -0.116 12.732) 12.732 18.959 ( -0.000 0.109 -0.778) 0.785 ======================= Grid point 116 (45/65) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 1.251 -6.503 9.955) 11.956 1.299 ( 1.662 -1.398 -0.087) 2.173 1.378 ( -0.418 -0.237 3.232) 3.268 1.445 ( -0.056 -0.027 -0.224) 0.232 1.473 ( 0.513 -0.268 1.770) 1.863 1.576 ( -0.592 -2.029 -1.166) 2.414 1.804 ( 0.678 -11.052 25.474) 27.776 2.269 ( 16.661 4.481 2.391) 17.418 2.858 ( -25.198 -5.329 -31.510) 40.697 3.252 ( -13.092 -6.975 -4.147) 15.402 3.630 ( 1.180 -7.691 -14.247) 16.233 3.789 ( -1.080 3.659 -2.736) 4.695 4.091 ( 17.953 -14.013 -2.392) 22.900 4.366 ( 6.744 -4.735 0.312) 8.246 4.479 ( -11.038 10.411 3.377) 15.544 4.868 ( 1.701 3.703 0.790) 4.151 5.084 ( -8.635 -3.435 -3.613) 9.971 5.282 ( 1.291 -2.364 2.480) 3.661 5.591 ( 0.842 2.347 3.010) 3.909 5.839 ( 0.331 1.494 4.540) 4.791 6.205 ( 3.102 -3.168 -3.596) 5.709 6.368 ( -2.721 -1.950 -2.784) 4.354 6.828 ( 17.810 -5.387 -8.867) 20.612 7.291 ( -2.200 -10.800 5.450) 12.296 7.778 ( 1.240 11.292 -7.150) 13.423 8.284 ( -7.734 -8.073 2.057) 11.368 8.590 ( -4.021 -6.024 -9.834) 12.213 8.815 ( -8.082 7.588 -2.099) 11.283 9.221 ( 6.045 -3.242 8.273) 10.747 9.506 ( 6.140 3.089 2.781) 7.415 10.452 ( -1.284 -5.467 -5.736) 8.027 10.524 ( -3.264 -6.573 -2.052) 7.620 10.661 ( -0.308 0.383 -3.089) 3.128 10.788 ( 3.563 -7.051 -6.899) 10.489 11.099 ( 0.997 6.213 3.503) 7.202 11.163 ( -4.896 3.014 6.053) 8.348 11.946 ( 0.867 -10.879 5.560) 12.248 12.185 ( 0.778 9.150 -5.050) 10.480 12.282 ( 4.777 13.976 1.540) 14.850 12.587 ( 4.280 -3.518 1.579) 5.761 12.854 ( -1.177 -2.978 -3.763) 4.941 13.354 ( -9.164 0.444 -3.282) 9.744 14.718 ( -0.719 -9.862 -31.696) 33.203 15.415 ( 2.627 6.319 23.456) 24.434 15.668 ( 0.861 4.622 -2.126) 5.160 16.547 ( -3.555 3.956 4.461) 6.942 17.129 ( 1.616 -4.768 14.343) 15.201 17.620 ( -5.687 -3.611 -4.461) 8.080 17.991 ( 3.907 -2.624 -9.378) 10.493 18.222 ( -4.213 0.116 -0.045) 4.215 18.357 ( 4.533 -0.814 -4.548) 6.472 18.641 ( 6.627 -0.200 1.923) 6.903 18.845 ( -4.896 -1.905 10.925) 12.123 18.985 ( 0.566 2.937 2.818) 4.109 ======================= Grid point 124 (46/65) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 0.000 -6.035 4.545) 7.554 1.263 ( -0.000 -2.602 -0.451) 2.641 1.413 ( 0.000 0.613 4.514) 4.556 1.449 ( -0.000 1.143 -0.761) 1.373 1.462 ( -0.000 -2.474 1.033) 2.681 1.551 ( -0.000 -2.084 -1.133) 2.372 1.903 ( 0.000 -10.831 33.052) 34.781 2.126 ( -0.000 0.155 -4.625) 4.628 2.857 ( -0.000 -5.750 -35.314) 35.779 3.195 ( -0.000 0.024 -18.532) 18.532 3.515 ( -0.000 -36.838 -3.689) 37.022 3.551 ( -0.000 -10.721 1.878) 10.885 3.946 ( 0.000 15.602 0.617) 15.614 4.278 ( -0.000 2.903 -1.932) 3.487 4.654 ( -0.000 8.896 -7.371) 11.552 4.903 ( 0.000 -7.696 9.249) 12.032 5.187 ( 0.000 8.123 -3.360) 8.790 5.202 ( -0.000 -4.812 0.433) 4.832 5.634 ( 0.000 2.570 3.615) 4.435 5.912 ( 0.000 2.800 6.601) 7.171 6.105 ( -0.000 -5.377 -5.239) 7.507 6.347 ( -0.000 -1.607 -4.510) 4.788 6.550 ( -0.000 -0.624 -8.610) 8.633 7.208 ( -0.000 -14.433 -2.803) 14.702 7.821 ( -0.000 7.782 -5.495) 9.526 8.269 ( -0.000 -11.872 2.302) 12.093 8.419 ( -0.000 -10.742 -11.995) 16.102 8.954 ( 0.000 3.783 3.460) 5.127 9.287 ( 0.000 6.900 8.522) 10.965 9.461 ( 0.000 -1.061 1.051) 1.493 10.340 ( -0.000 -8.339 -6.498) 10.572 10.473 ( -0.000 -14.650 -2.807) 14.916 10.577 ( -0.000 -3.191 -18.471) 18.745 10.654 ( 0.000 1.505 3.431) 3.747 11.182 ( 0.000 7.571 3.444) 8.318 11.317 ( 0.000 3.984 12.743) 13.351 11.869 ( 0.000 -7.598 4.595) 8.879 12.204 ( -0.000 4.858 -9.265) 10.461 12.475 ( 0.000 21.601 5.925) 22.399 12.502 ( -0.000 -3.341 -0.573) 3.390 12.788 ( -0.000 -4.942 -6.802) 8.408 13.418 ( -0.000 0.699 -2.847) 2.932 14.389 ( -0.000 -10.432 -30.107) 31.863 15.646 ( 0.000 5.873 29.872) 30.444 15.692 ( -0.000 6.324 -4.141) 7.559 16.691 ( 0.000 8.568 6.756) 10.911 17.149 ( 0.000 -5.639 11.533) 12.838 17.626 ( -0.000 -3.797 -3.479) 5.150 17.818 ( -0.000 -4.734 -13.600) 14.400 18.277 ( -0.000 -1.037 -5.641) 5.735 18.289 ( 0.000 0.578 1.532) 1.637 18.524 ( -0.000 -6.655 0.387) 6.666 19.005 ( 0.000 4.693 -0.672) 4.741 19.012 ( 0.000 -1.258 20.751) 20.790 ======================= Grid point 153 (47/65) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.000 -0.000 11.394) 11.394 1.061 ( 0.000 -0.000 11.394) 11.394 1.376 ( 0.000 -0.000 4.218) 4.218 1.465 ( -0.000 0.000 -1.022) 1.022 1.465 ( -0.000 0.000 -1.022) 1.022 1.549 ( 0.000 -0.000 6.520) 6.520 1.715 ( 0.000 -0.000 8.770) 8.770 1.715 ( 0.000 -0.000 8.770) 8.770 2.294 ( 0.000 -0.000 57.008) 57.008 3.115 ( -0.000 0.000 -10.050) 10.050 3.663 ( 0.000 -0.000 3.475) 3.475 3.663 ( 0.000 -0.000 3.475) 3.475 4.184 ( 0.000 0.000 -0.167) 0.167 4.184 ( -0.000 -0.000 -0.167) 0.167 4.708 ( -0.000 0.000 -1.403) 1.403 4.708 ( 0.000 0.000 -1.403) 1.403 5.784 ( 0.000 -0.000 0.272) 0.272 5.784 ( 0.000 -0.000 0.272) 0.272 5.811 ( 0.000 -0.000 1.353) 1.353 6.086 ( 0.000 -0.000 14.405) 14.405 6.270 ( 0.000 -0.000 2.811) 2.811 6.300 ( 0.000 -0.000 1.044) 1.044 6.300 ( 0.000 -0.000 1.044) 1.044 6.941 ( 0.000 -0.000 14.467) 14.467 7.597 ( 0.000 -0.000 3.713) 3.713 7.597 ( 0.000 -0.000 3.713) 3.713 8.330 ( 0.000 -0.000 3.144) 3.144 9.106 ( -0.000 0.000 -4.775) 4.775 9.106 ( -0.000 0.000 -4.775) 4.775 9.641 ( -0.000 0.000 -6.387) 6.387 10.067 ( 0.000 -0.000 11.588) 11.588 10.067 ( 0.000 -0.000 11.588) 11.588 10.895 ( -0.000 0.000 -6.649) 6.649 10.895 ( -0.000 0.000 -6.649) 6.649 11.103 ( 0.000 -0.000 11.314) 11.314 11.619 ( -0.000 0.000 -0.737) 0.737 11.668 ( -0.000 0.000 -1.707) 1.707 11.668 ( -0.000 0.000 -1.707) 1.707 12.835 ( 0.000 -0.000 6.127) 6.127 13.210 ( 0.000 -0.000 17.239) 17.239 13.218 ( -0.000 0.000 -1.709) 1.709 13.218 ( -0.000 0.000 -1.709) 1.709 15.073 ( 0.000 -0.000 60.677) 60.677 15.598 ( -0.000 0.000 -23.068) 23.068 15.598 ( -0.000 0.000 -23.068) 23.068 16.691 ( -0.000 0.000 -0.844) 0.844 17.344 ( 0.000 -0.000 1.365) 1.365 17.344 ( 0.000 -0.000 1.365) 1.365 17.505 ( 0.000 -0.000 0.067) 0.067 18.021 ( 0.000 -0.000 2.292) 2.292 18.021 ( 0.000 -0.000 2.292) 2.292 18.354 ( 0.000 -0.000 3.245) 3.245 18.354 ( 0.000 -0.000 3.245) 3.245 19.180 ( -0.000 0.000 -0.139) 0.139 ======================= Grid point 154 (48/65) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 1.900 1.097 6.420) 6.785 1.223 ( 4.616 2.665 2.595) 5.928 1.389 ( -0.233 -0.134 0.799) 0.843 1.441 ( -1.113 -0.643 -0.956) 1.602 1.473 ( 0.928 0.536 -0.377) 1.136 1.590 ( -0.003 -0.002 5.276) 5.276 1.835 ( 6.379 3.683 7.781) 10.715 2.062 ( 21.224 12.254 5.630) 25.146 2.538 ( -11.380 -6.571 49.998) 51.696 3.008 ( -3.699 -2.136 -8.351) 9.380 3.346 ( -12.484 -7.208 7.140) 16.087 3.982 ( 3.897 2.250 -8.429) 9.555 4.142 ( 7.631 4.405 20.660) 22.461 4.358 ( 7.371 4.256 -4.473) 9.616 4.573 ( -6.538 -3.774 -4.593) 8.837 4.755 ( -0.068 -0.040 0.982) 0.985 5.647 ( -6.063 -3.500 3.811) 7.971 5.665 ( -9.611 -5.549 0.126) 11.098 5.795 ( -1.592 -0.919 0.126) 1.843 6.132 ( -7.155 -4.131 -0.187) 8.264 6.156 ( -3.363 -1.941 4.715) 6.108 6.430 ( 8.202 4.736 5.237) 10.823 6.434 ( 3.922 2.264 3.099) 5.487 7.010 ( -0.149 -0.086 11.645) 11.646 7.641 ( 3.090 1.784 2.463) 4.335 7.900 ( 19.053 11.000 5.695) 22.726 8.388 ( 3.101 1.790 3.796) 5.218 8.891 ( -6.113 -3.529 -3.427) 7.846 9.223 ( 0.740 0.427 -7.204) 7.254 9.472 ( -8.097 -4.675 -5.168) 10.682 10.210 ( 6.573 3.795 12.786) 14.869 10.211 ( 4.162 2.403 8.539) 9.799 10.755 ( -1.547 -0.893 -6.111) 6.367 10.991 ( 5.286 3.052 -6.153) 8.667 11.106 ( -4.480 -2.586 4.579) 6.908 11.531 ( -3.891 -2.246 -1.751) 4.822 11.640 ( -0.263 -0.152 -2.229) 2.250 11.765 ( 4.482 2.587 0.572) 5.206 12.835 ( -3.098 -1.788 3.477) 4.988 13.154 ( -6.240 -3.603 -2.116) 7.510 13.165 ( -1.413 -0.816 4.334) 4.631 13.284 ( -3.458 -1.996 8.747) 9.615 15.167 ( -10.821 -6.248 1.574) 12.594 15.627 ( 6.875 3.969 27.562) 28.683 15.660 ( 10.204 5.891 -23.626) 26.401 16.466 ( -14.043 -8.107 13.414) 21.044 17.155 ( -10.572 -6.104 -2.446) 12.450 17.585 ( 15.506 8.952 -4.470) 18.454 17.725 ( 10.425 6.019 4.220) 12.756 17.944 ( -3.859 -2.228 3.527) 5.683 18.144 ( 4.783 2.761 -1.621) 5.755 18.348 ( -0.233 -0.134 2.353) 2.368 18.456 ( 6.023 3.477 2.382) 7.351 19.159 ( -1.764 -1.019 -0.140) 2.042 ======================= Grid point 155 (49/65) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 2.505 1.446 2.231) 3.653 1.310 ( 2.807 1.621 -0.025) 3.241 1.380 ( -0.570 -0.329 -0.325) 0.734 1.412 ( -1.089 -0.629 0.304) 1.294 1.492 ( 0.824 0.475 -0.268) 0.988 1.615 ( -0.463 -0.267 3.339) 3.381 2.014 ( 4.346 2.509 2.709) 5.703 2.515 ( -15.071 -8.701 44.919) 48.172 2.589 ( 20.295 11.717 -4.817) 23.924 2.849 ( -6.278 -3.624 0.394) 7.260 3.276 ( 0.952 0.550 10.222) 10.281 4.021 ( 4.456 2.573 -1.184) 5.280 4.269 ( -9.513 -5.493 -5.369) 12.227 4.459 ( 6.058 3.498 -8.234) 10.804 4.530 ( 4.204 2.427 15.232) 15.987 4.664 ( -9.363 -5.406 1.253) 10.884 5.497 ( -4.036 -2.330 0.834) 4.734 5.596 ( -1.066 -0.615 1.027) 1.603 5.737 ( -3.192 -1.843 -0.472) 3.716 5.978 ( -4.786 -2.763 -3.931) 6.782 6.113 ( -2.601 -1.502 5.725) 6.465 6.494 ( -0.505 -0.291 2.744) 2.806 6.555 ( -1.335 -0.771 8.935) 9.067 7.149 ( 6.561 3.788 5.431) 9.321 7.775 ( 7.642 4.412 2.621) 9.205 8.341 ( 9.298 5.368 12.706) 16.635 8.488 ( 3.046 1.758 -2.678) 4.420 8.861 ( 9.330 5.387 -6.029) 12.345 8.898 ( -17.601 -10.162 -7.328) 21.604 9.409 ( 1.448 0.836 -4.042) 4.374 10.358 ( 4.453 2.571 5.133) 7.266 10.454 ( 4.782 2.761 10.572) 11.927 10.748 ( 3.602 2.080 0.150) 4.162 10.990 ( -6.170 -3.562 0.060) 7.125 11.031 ( 0.816 0.471 -3.863) 3.976 11.435 ( -2.735 -1.579 -4.087) 5.165 11.648 ( 3.610 2.084 -4.345) 6.021 11.838 ( 0.907 0.523 1.314) 1.680 12.755 ( -4.933 -2.848 2.410) 6.185 12.914 ( -12.808 -7.395 -3.547) 15.209 13.168 ( -6.800 -3.926 10.158) 12.839 13.230 ( 0.279 0.161 0.540) 0.629 14.909 ( -10.430 -6.021 -4.083) 12.716 15.728 ( 10.422 6.017 -25.624) 28.310 15.771 ( -5.405 -3.121 6.871) 9.282 16.499 ( 1.197 0.691 37.686) 37.711 16.907 ( -8.676 -5.009 -4.860) 11.135 17.852 ( 10.577 6.107 -5.890) 13.559 17.858 ( -4.613 -2.663 9.317) 10.732 17.991 ( 7.309 4.220 3.318) 9.068 18.192 ( 2.070 1.195 -6.117) 6.568 18.393 ( 3.135 1.810 1.963) 4.118 18.654 ( 9.838 5.680 0.967) 11.402 19.099 ( -3.381 -1.952 -0.270) 3.913 ======================= Grid point 156 (50/65) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 1.896 1.095 0.433) 2.232 1.331 ( -1.428 -0.824 0.782) 1.825 1.388 ( 2.063 1.191 -1.208) 2.671 1.403 ( -0.279 -0.161 1.629) 1.660 1.504 ( 0.383 0.221 -0.378) 0.582 1.613 ( -1.264 -0.730 1.732) 2.265 2.054 ( -1.016 -0.586 1.955) 2.280 2.461 ( -12.121 -6.998 33.710) 36.500 2.813 ( 0.434 0.251 10.678) 10.690 2.898 ( 8.334 4.812 -10.451) 14.207 3.446 ( 7.192 4.152 5.968) 10.227 3.979 ( -9.139 -5.276 -4.337) 11.409 4.152 ( 6.591 3.805 1.124) 7.693 4.364 ( -16.226 -9.368 0.603) 18.746 4.574 ( 9.410 5.433 -7.700) 13.317 4.632 ( -5.123 -2.958 12.186) 13.546 5.441 ( -4.231 -2.443 2.138) 5.333 5.545 ( -3.879 -2.240 -3.274) 5.548 5.657 ( -2.330 -1.345 -2.734) 3.835 5.889 ( 0.689 0.398 -6.651) 6.699 6.134 ( 0.687 0.396 5.234) 5.294 6.457 ( -3.869 -2.233 2.306) 5.027 6.539 ( -5.387 -3.110 11.576) 13.141 7.336 ( 6.565 3.790 5.011) 9.087 7.937 ( -1.469 -0.848 -4.200) 4.530 8.318 ( -1.345 -0.777 -14.824) 14.905 8.461 ( -3.416 -1.972 15.232) 15.735 8.724 ( -0.557 -0.322 8.655) 8.679 9.183 ( 17.060 9.850 -5.274) 20.393 9.391 ( -0.284 -0.164 -6.127) 6.136 10.477 ( 3.931 2.270 1.627) 4.822 10.495 ( -5.417 -3.127 9.366) 11.262 10.793 ( -5.393 -3.114 0.971) 6.303 10.965 ( -5.312 -3.067 -0.468) 6.152 10.970 ( 6.695 3.866 -0.167) 7.733 11.361 ( 0.095 0.055 -7.754) 7.755 11.771 ( 10.552 6.092 -5.511) 13.372 11.843 ( -0.603 -0.348 5.202) 5.248 12.554 ( -15.334 -8.853 -5.825) 18.640 12.673 ( -4.158 -2.400 3.815) 6.132 13.022 ( -7.894 -4.558 3.075) 9.620 13.295 ( 2.127 1.228 4.378) 5.020 14.653 ( -12.275 -7.087 5.827) 15.324 15.657 ( -4.630 -2.673 0.995) 5.438 15.766 ( 8.920 5.150 -28.645) 30.441 16.714 ( -4.484 -2.589 -6.470) 8.287 16.835 ( 5.157 2.978 31.092) 31.658 17.816 ( -4.577 -2.642 11.080) 12.276 17.944 ( 0.385 0.222 -7.322) 7.335 18.147 ( 3.225 1.862 6.559) 7.542 18.200 ( 4.208 2.430 -7.789) 9.180 18.509 ( 5.415 3.126 1.281) 6.383 18.880 ( 9.459 5.461 -1.096) 10.977 19.009 ( -4.038 -2.331 -0.369) 4.677 ======================= Grid point 157 (51/65) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -0.081 -0.047 -0.280) 0.295 1.293 ( -2.494 -1.440 1.598) 3.294 1.419 ( 1.290 0.745 -2.144) 2.610 1.420 ( 0.680 0.393 1.672) 1.847 1.499 ( -0.629 -0.363 -0.797) 1.078 1.586 ( -1.807 -1.043 1.006) 2.317 2.065 ( 1.036 0.598 3.758) 3.943 2.343 ( -7.087 -4.092 -18.909) 20.604 2.832 ( -11.572 -6.681 22.207) 25.918 2.984 ( 4.239 2.447 19.356) 19.965 3.643 ( 9.210 5.317 -3.030) 11.058 3.874 ( -3.332 -1.924 3.020) 4.891 3.966 ( -17.776 -10.263 0.519) 20.532 4.302 ( 1.122 0.648 3.505) 3.737 4.501 ( -5.929 -3.423 6.440) 9.399 4.798 ( 13.110 7.569 -4.910) 15.914 5.282 ( -9.923 -5.729 0.925) 11.495 5.375 ( -7.498 -4.329 -5.390) 10.198 5.620 ( 1.158 0.668 -4.461) 4.657 5.900 ( 3.159 1.824 -6.817) 7.731 6.162 ( -1.722 -0.994 2.869) 3.491 6.380 ( -3.868 -2.233 3.212) 5.502 6.513 ( -3.241 -1.871 12.011) 12.581 7.459 ( -7.471 -4.313 11.834) 14.645 7.677 ( 1.062 0.613 -15.853) 15.900 8.410 ( 2.357 1.361 -1.770) 3.246 8.472 ( -4.696 -2.711 14.891) 15.848 8.813 ( 5.635 3.254 3.335) 7.312 9.316 ( -1.545 -0.892 -7.793) 7.994 9.428 ( 6.616 3.820 -3.569) 8.432 10.419 ( -6.835 -3.946 12.688) 14.943 10.553 ( 2.607 1.505 -1.779) 3.497 10.645 ( -7.816 -4.513 3.488) 9.676 10.794 ( -9.939 -5.738 2.141) 11.675 11.084 ( 4.709 2.719 -3.736) 6.597 11.330 ( 2.740 1.582 -11.849) 12.264 11.967 ( 6.256 3.612 12.250) 14.221 12.011 ( 6.943 4.008 -0.869) 8.064 12.219 ( -2.866 -1.655 -11.180) 11.660 12.601 ( -5.034 -2.906 3.993) 7.052 12.879 ( -5.665 -3.271 0.692) 6.578 13.367 ( 1.492 0.862 4.429) 4.752 14.459 ( -11.757 -6.788 18.695) 23.104 15.612 ( 0.208 0.120 1.169) 1.193 15.732 ( 6.185 3.571 -30.713) 31.532 16.633 ( 1.684 0.972 -7.161) 7.421 17.109 ( 3.827 2.209 16.639) 17.215 17.796 ( -6.387 -3.688 -10.332) 12.694 17.808 ( -3.684 -2.127 13.491) 14.146 18.235 ( 0.652 0.377 7.007) 7.047 18.261 ( 3.797 2.192 -4.552) 6.320 18.599 ( 0.543 0.313 0.149) 0.644 18.946 ( -0.310 -0.179 0.200) 0.410 19.037 ( 6.254 3.611 -7.705) 10.560 ======================= Grid point 162 (52/65) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.000 4.715 2.726) 5.447 1.212 ( 0.000 2.288 2.812) 3.625 1.392 ( -0.000 -0.196 0.059) 0.205 1.443 ( -0.000 -0.637 -0.499) 0.809 1.455 ( -0.000 0.068 -0.824) 0.827 1.625 ( 0.000 -0.036 4.341) 4.341 1.936 ( 0.000 8.919 2.357) 9.226 2.060 ( 0.000 24.579 5.065) 25.095 2.742 ( 0.000 -28.364 38.545) 47.856 2.961 ( -0.000 -1.252 -7.711) 7.812 3.585 ( 0.000 4.074 17.152) 17.629 3.955 ( -0.000 11.662 -9.129) 14.810 4.186 ( 0.000 -1.047 15.290) 15.326 4.303 ( 0.000 1.933 -0.708) 2.059 4.544 ( -0.000 -7.273 -2.460) 7.677 4.787 ( 0.000 5.205 -1.130) 5.327 5.631 ( -0.000 -13.220 -0.580) 13.232 5.670 ( -0.000 -9.226 2.760) 9.630 5.777 ( -0.000 -3.091 1.308) 3.356 6.099 ( -0.000 -11.854 0.515) 11.865 6.245 ( 0.000 0.754 1.376) 1.569 6.428 ( 0.000 3.951 3.318) 5.160 6.482 ( 0.000 12.390 2.562) 12.652 7.094 ( 0.000 -0.807 10.663) 10.693 7.724 ( 0.000 6.344 1.281) 6.472 7.882 ( 0.000 22.591 4.408) 23.017 8.382 ( 0.000 -0.621 2.882) 2.948 8.880 ( -0.000 -6.688 -0.216) 6.691 9.210 ( -0.000 5.851 -7.331) 9.380 9.451 ( -0.000 -9.951 -4.669) 10.992 10.266 ( 0.000 5.684 12.621) 13.842 10.287 ( 0.000 4.840 8.663) 9.923 10.666 ( -0.000 -5.371 -5.015) 7.348 10.977 ( -0.000 9.543 -8.268) 12.626 11.130 ( -0.000 -4.870 0.885) 4.949 11.488 ( -0.000 -8.632 1.155) 8.709 11.645 ( -0.000 -0.755 -2.346) 2.464 11.784 ( 0.000 7.512 0.882) 7.564 12.868 ( 0.000 -2.462 3.090) 3.951 13.071 ( -0.000 -10.922 -0.690) 10.944 13.194 ( 0.000 -3.812 3.025) 4.866 13.400 ( 0.000 1.002 6.113) 6.194 15.143 ( -0.000 -7.197 -14.874) 16.524 15.444 ( -0.000 4.390 -8.653) 9.703 15.873 ( 0.000 5.431 15.858) 16.763 16.601 ( 0.000 -10.949 25.710) 27.945 17.086 ( -0.000 -16.370 -0.560) 16.380 17.607 ( 0.000 17.998 -5.199) 18.734 17.743 ( 0.000 14.431 2.427) 14.634 17.984 ( 0.000 -3.506 3.489) 4.946 18.128 ( 0.000 3.664 -0.605) 3.714 18.394 ( 0.000 2.670 3.083) 4.078 18.426 ( 0.000 2.198 1.270) 2.539 19.158 ( -0.000 -2.033 -0.153) 2.038 ======================= Grid point 163 (53/65) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -0.387 2.703 1.602) 3.166 1.287 ( 2.071 2.651 0.102) 3.366 1.385 ( -0.505 -0.457 -0.179) 0.704 1.426 ( -0.817 -0.268 0.557) 1.025 1.467 ( 1.435 -0.147 -0.744) 1.623 1.643 ( -0.514 -0.294 2.667) 2.732 2.076 ( 4.264 10.735 -2.047) 11.731 2.371 ( 7.313 15.314 -2.912) 17.219 2.655 ( -2.793 -29.740 31.843) 43.661 2.956 ( 2.258 6.415 -1.998) 7.088 3.611 ( -15.314 9.586 19.226) 26.383 4.013 ( 1.171 9.698 -5.166) 11.051 4.223 ( 0.880 -9.231 -5.408) 10.735 4.367 ( 1.648 -1.833 -2.439) 3.468 4.536 ( 6.335 -0.664 11.721) 13.340 4.779 ( -6.133 0.748 -0.627) 6.210 5.525 ( 1.629 -11.587 -0.168) 11.702 5.533 ( -4.585 -5.594 0.717) 7.269 5.735 ( -1.779 -2.491 1.883) 3.594 5.941 ( -3.636 -11.213 -0.726) 11.810 6.230 ( -2.567 2.115 1.338) 3.585 6.488 ( 0.647 0.097 2.525) 2.608 6.709 ( 6.039 14.329 1.864) 15.661 7.154 ( 0.548 0.382 9.921) 9.944 7.726 ( -1.258 3.819 -0.325) 4.035 8.314 ( 8.115 12.264 5.648) 15.753 8.420 ( 8.555 5.861 -1.462) 10.473 8.821 ( -1.486 0.102 0.801) 1.691 9.041 ( -13.830 -6.695 -6.431) 16.657 9.358 ( 2.426 -1.506 -4.743) 5.536 10.385 ( 0.870 4.534 6.566) 8.027 10.483 ( 4.832 5.731 9.711) 12.267 10.651 ( 5.264 -1.084 -0.643) 5.413 11.014 ( 0.785 6.639 -7.591) 10.115 11.034 ( -4.075 -6.113 -0.951) 7.408 11.400 ( -1.461 -7.789 0.206) 7.928 11.616 ( 0.206 0.266 -2.796) 2.816 11.868 ( 0.491 5.569 0.451) 5.608 12.804 ( -4.541 -5.975 2.493) 7.909 12.940 ( -2.864 -11.174 -1.941) 11.697 13.184 ( 1.959 -4.779 5.286) 7.390 13.357 ( -8.370 -0.118 2.100) 8.630 14.967 ( -5.170 -4.289 -3.494) 7.572 15.471 ( 6.287 6.173 -19.209) 21.133 15.864 ( -5.111 -5.969 0.342) 7.866 16.749 ( -0.515 -1.465 36.045) 36.078 16.894 ( -3.710 -13.537 -1.865) 14.160 17.770 ( 4.983 12.437 -6.166) 14.749 17.943 ( -0.386 0.365 5.951) 5.975 17.971 ( 4.263 8.522 1.629) 9.667 18.150 ( 0.328 1.781 -4.234) 4.605 18.414 ( -0.869 3.242 2.563) 4.223 18.560 ( 7.696 4.750 2.082) 9.280 19.117 ( -1.756 -2.960 -0.241) 3.450 ======================= Grid point 164 (54/65) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.605 1.813 0.678) 2.028 1.339 ( 1.061 1.259 -0.003) 1.647 1.369 ( -0.008 -0.113 -0.314) 0.333 1.422 ( -0.617 0.338 1.654) 1.797 1.483 ( 1.266 -0.399 -0.892) 1.600 1.637 ( -1.110 -0.794 1.213) 1.826 2.194 ( -2.885 13.613 -4.607) 14.658 2.498 ( -0.369 -13.617 11.855) 18.058 2.653 ( 14.549 -12.138 15.393) 24.412 3.001 ( -7.344 7.780 -7.934) 13.320 3.617 ( -7.093 9.819 14.311) 18.749 4.046 ( -3.362 -5.665 0.375) 6.598 4.142 ( 0.460 9.127 -0.362) 9.146 4.380 ( 6.893 -1.703 -5.499) 8.981 4.556 ( -14.240 -5.198 -1.131) 15.201 4.675 ( 3.850 -6.257 5.732) 9.318 5.421 ( -0.884 -6.167 1.122) 6.331 5.517 ( 1.874 -3.846 -2.023) 4.732 5.672 ( -4.131 -4.593 1.766) 6.425 5.790 ( 0.337 -5.131 -4.585) 6.890 6.238 ( -2.247 4.209 2.373) 5.329 6.472 ( -1.811 -3.562 1.680) 4.334 6.877 ( -10.039 18.850 6.654) 22.369 7.299 ( 7.133 4.071 5.856) 10.087 7.832 ( 12.281 -1.505 1.076) 12.420 8.138 ( -8.001 -16.953 -14.287) 23.570 8.680 ( -6.696 3.236 11.679) 13.846 8.798 ( -3.864 -2.562 5.812) 7.434 9.012 ( 15.225 18.036 -3.873) 23.919 9.354 ( 1.056 1.192 -7.188) 7.362 10.479 ( 1.088 3.581 3.627) 5.211 10.584 ( -0.348 0.516 3.880) 3.930 10.773 ( 4.898 -3.406 1.855) 6.247 10.894 ( -3.433 -4.428 -1.190) 5.728 11.034 ( -0.496 3.788 -1.948) 4.288 11.292 ( -1.482 -6.589 -2.969) 7.377 11.671 ( 5.985 6.887 -2.470) 9.452 11.907 ( -0.936 3.741 0.843) 3.947 12.630 ( -8.404 -12.463 0.346) 15.036 12.763 ( -5.747 -1.990 -1.209) 6.201 13.166 ( -10.366 -4.044 2.395) 11.382 13.244 ( 3.794 -3.708 3.498) 6.354 14.835 ( -8.596 -3.866 10.162) 13.860 15.491 ( 7.204 5.445 -26.140) 27.656 15.705 ( -4.824 -5.619 0.082) 7.407 16.693 ( -4.119 -8.942 -2.987) 10.288 16.978 ( 2.476 0.808 23.477) 23.621 17.853 ( 0.450 -2.794 -0.948) 2.984 17.963 ( -0.634 4.451 2.697) 5.243 18.124 ( 1.299 2.072 -6.377) 6.830 18.183 ( 3.575 8.905 3.773) 10.311 18.479 ( 2.924 3.353 1.687) 4.758 18.763 ( 8.659 4.685 -0.028) 9.845 19.041 ( -3.136 -3.468 -0.276) 4.684 ======================= Grid point 165 (55/65) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.040 0.417 -0.098) 0.430 1.328 ( -1.649 -0.523 0.748) 1.885 1.391 ( 1.100 0.711 -1.483) 1.979 1.432 ( -0.141 0.713 1.479) 1.648 1.487 ( 0.538 -0.496 -1.326) 1.514 1.610 ( -1.502 -1.270 0.669) 2.078 2.204 ( -5.798 12.032 -7.585) 15.360 2.316 ( -13.266 -2.985 -16.260) 21.196 2.797 ( 3.027 -23.253 20.911) 31.419 3.011 ( 16.838 -0.683 7.967) 18.640 3.705 ( -6.130 8.619 10.877) 15.171 3.928 ( -8.979 -8.693 6.489) 14.082 4.189 ( -8.002 -2.420 1.812) 8.554 4.297 ( 3.444 8.581 -5.110) 10.564 4.548 ( 2.608 -1.966 -3.297) 4.641 4.660 ( 4.431 0.192 3.157) 5.444 5.285 ( -6.502 -11.994 1.056) 13.684 5.427 ( -4.628 -4.924 -5.279) 8.575 5.583 ( -0.384 -0.730 -1.874) 2.047 5.806 ( 4.085 1.784 -4.169) 6.103 6.240 ( -3.757 2.481 2.370) 5.088 6.408 ( -1.825 -4.074 1.838) 4.828 6.872 ( -16.657 18.467 8.863) 26.402 7.521 ( 8.170 7.376 3.947) 11.693 7.636 ( -13.234 -15.085 -8.486) 21.787 8.167 ( 21.608 -4.237 -2.916) 22.211 8.656 ( -6.495 -1.628 13.568) 15.131 8.762 ( -0.425 -6.202 4.081) 7.437 9.312 ( -2.295 2.984 -7.846) 8.702 9.369 ( 8.109 13.699 -2.986) 16.197 10.513 ( -2.615 -2.315 4.003) 5.312 10.582 ( -1.699 1.884 2.949) 3.890 10.701 ( -3.671 -8.888 2.600) 9.962 10.862 ( 0.625 -1.756 -1.248) 2.243 11.038 ( -0.411 1.930 -0.634) 2.073 11.195 ( 1.332 -5.732 -5.768) 8.240 11.928 ( 11.108 16.308 -3.100) 19.973 11.975 ( 4.000 2.399 5.898) 7.520 12.304 ( -14.562 -7.149 -4.119) 16.737 12.685 ( -3.934 -1.614 2.327) 4.847 12.961 ( -8.399 -3.031 -0.973) 8.982 13.307 ( 5.426 -6.654 4.691) 9.784 14.742 ( -10.282 -4.795 22.849) 25.511 15.462 ( 5.816 3.677 -26.722) 27.594 15.626 ( -0.782 -0.414 -0.134) 0.895 16.560 ( -0.474 -4.297 -3.978) 5.875 17.147 ( 2.969 0.722 7.878) 8.450 17.752 ( -3.687 -7.260 -4.369) 9.241 17.976 ( -3.872 2.504 6.925) 8.320 18.179 ( 4.476 2.220 -3.191) 5.929 18.311 ( -0.814 5.775 5.589) 8.078 18.589 ( 4.281 3.911 -0.567) 5.826 18.900 ( 4.091 0.641 -5.526) 6.906 18.961 ( -0.814 -1.472 -0.170) 1.691 ======================= Grid point 171 (56/65) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.000 1.216 0.038) 1.217 1.302 ( 0.000 2.962 0.253) 2.973 1.383 ( -0.000 -0.560 -0.256) 0.616 1.441 ( 0.000 -0.075 1.611) 1.613 1.445 ( -0.000 0.045 -0.821) 0.822 1.657 ( 0.000 -0.697 1.326) 1.498 2.039 ( -0.000 2.615 -2.884) 3.893 2.400 ( 0.000 -11.988 9.788) 15.476 2.802 ( 0.000 10.408 17.883) 20.691 2.927 ( -0.000 6.658 -4.788) 8.201 3.948 ( 0.000 7.789 8.787) 11.742 4.041 ( -0.000 3.477 -18.558) 18.881 4.147 ( 0.000 -1.685 7.301) 7.493 4.258 ( -0.000 -4.497 -2.400) 5.097 4.516 ( 0.000 -6.898 9.134) 11.446 4.852 ( -0.000 2.258 -1.052) 2.491 5.410 ( -0.000 -6.683 2.023) 6.982 5.538 ( -0.000 -7.815 2.570) 8.227 5.746 ( 0.000 -2.260 2.424) 3.314 5.857 ( -0.000 -12.348 -0.511) 12.359 6.246 ( -0.000 -0.283 -1.004) 1.043 6.509 ( 0.000 0.277 1.901) 1.921 6.684 ( 0.000 5.831 -0.598) 5.862 7.234 ( 0.000 1.541 8.548) 8.686 7.868 ( 0.000 10.772 -2.469) 11.052 8.302 ( -0.000 -9.244 -3.467) 9.873 8.475 ( 0.000 27.883 6.071) 28.537 8.852 ( 0.000 0.231 2.594) 2.604 9.098 ( -0.000 -1.834 -13.998) 14.117 9.222 ( -0.000 -8.127 1.764) 8.316 10.482 ( 0.000 4.406 6.472) 7.829 10.518 ( 0.000 2.098 -0.299) 2.120 10.661 ( 0.000 8.009 10.249) 13.007 10.990 ( -0.000 -7.277 -1.711) 7.475 11.012 ( -0.000 5.769 -9.109) 10.782 11.345 ( -0.000 -7.712 1.632) 7.883 11.588 ( -0.000 -0.773 -1.952) 2.100 11.924 ( 0.000 6.220 -1.249) 6.345 12.788 ( -0.000 -17.906 1.498) 17.969 12.832 ( -0.000 -3.669 0.623) 3.722 13.137 ( 0.000 -7.510 4.474) 8.741 13.437 ( -0.000 0.586 -1.896) 1.985 14.978 ( 0.000 -0.644 3.620) 3.676 15.349 ( -0.000 5.156 -21.093) 21.714 15.821 ( -0.000 -9.474 -1.355) 9.570 16.781 ( -0.000 -13.739 0.828) 13.764 16.960 ( 0.000 -1.704 27.730) 27.783 17.801 ( -0.000 8.404 -5.619) 10.109 17.969 ( 0.000 0.143 2.415) 2.419 18.048 ( 0.000 12.158 1.942) 12.312 18.139 ( -0.000 1.857 -5.329) 5.643 18.476 ( 0.000 2.530 -0.529) 2.584 18.568 ( 0.000 7.254 6.581) 9.795 19.097 ( -0.000 -3.881 -0.258) 3.889 ======================= Grid point 172 (57/65) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 0.584 1.088 -0.044) 1.235 1.335 ( 0.966 1.543 0.372) 1.859 1.371 ( -0.467 -0.347 -0.342) 0.674 1.446 ( 0.321 0.455 0.161) 0.579 1.455 ( 0.203 -0.215 1.056) 1.097 1.647 ( -0.623 -1.216 0.188) 1.380 2.135 ( 9.353 -0.445 1.467) 9.477 2.391 ( 7.718 -17.316 16.354) 25.037 2.757 ( -15.050 10.138 5.575) 18.983 3.092 ( -3.049 9.545 -13.456) 16.777 3.814 ( -2.869 -2.097 -7.598) 8.388 4.050 ( -1.168 5.551 6.424) 8.570 4.215 ( 6.151 -0.765 -6.242) 8.797 4.287 ( -2.304 4.910 3.718) 6.576 4.499 ( 5.430 -12.375 1.842) 13.639 4.740 ( -11.820 -3.156 -1.130) 12.286 5.403 ( 0.388 -2.738 3.406) 4.387 5.462 ( -1.324 -4.720 2.230) 5.385 5.694 ( -4.108 -10.037 2.717) 11.180 5.734 ( -0.553 -0.825 -2.190) 2.405 6.267 ( 2.506 0.777 -0.369) 2.649 6.485 ( -2.409 -2.599 0.424) 3.570 6.928 ( 20.458 5.512 -0.546) 21.194 7.327 ( 1.980 3.794 7.987) 9.061 7.839 ( -11.988 11.902 -0.999) 16.923 8.062 ( -9.258 -17.024 -8.753) 21.264 8.820 ( -0.867 2.658 4.483) 5.284 8.888 ( -6.537 -3.815 -3.629) 8.394 8.955 ( 12.432 20.583 0.270) 24.048 9.259 ( 5.139 -1.492 -1.389) 5.529 10.544 ( 1.511 1.569 -0.226) 2.190 10.557 ( 0.959 3.251 2.369) 4.135 10.778 ( -3.763 1.588 5.223) 6.630 10.888 ( -2.116 -5.734 -1.660) 6.333 11.033 ( 2.701 3.478 -3.096) 5.383 11.257 ( -2.941 -6.783 0.422) 7.405 11.635 ( 5.163 6.355 0.380) 8.197 11.956 ( -0.808 4.803 -3.034) 5.738 12.594 ( -2.675 -17.082 2.834) 17.521 12.784 ( -1.599 -3.328 -1.937) 4.170 13.112 ( 3.161 -9.821 5.144) 11.528 13.346 ( -8.531 0.968 -3.958) 9.454 15.006 ( -4.664 0.186 12.689) 13.520 15.261 ( 4.710 1.896 -23.275) 23.822 15.706 ( -2.458 -6.699 -0.021) 7.135 16.648 ( -2.565 -9.823 1.037) 10.205 17.090 ( -0.045 -0.468 14.113) 14.121 17.816 ( -0.108 -2.222 -0.454) 2.270 18.024 ( 0.837 6.564 1.479) 6.781 18.091 ( -0.303 0.098 -6.370) 6.378 18.223 ( 4.886 10.338 0.098) 11.435 18.497 ( -0.035 2.990 0.367) 3.013 18.719 ( 3.710 6.349 4.290) 8.514 19.041 ( -1.540 -4.309 -0.261) 4.583 ======================= Grid point 173 (58/65) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.306 0.530 -0.000) 0.612 1.343 ( -0.483 -0.837 -0.000) 0.966 1.380 ( 0.708 1.227 -0.000) 1.417 1.456 ( -0.202 -0.350 0.000) 0.404 1.460 ( 0.407 0.704 -0.000) 0.813 1.619 ( -0.971 -1.683 0.000) 1.943 2.236 ( -2.049 -3.549 -0.000) 4.098 2.551 ( -0.546 -0.945 -0.000) 1.091 2.681 ( 3.262 5.650 0.000) 6.524 2.768 ( -7.237 -12.535 -0.000) 14.475 3.910 ( 5.714 9.898 0.000) 11.429 4.011 ( -9.668 -16.746 -0.000) 19.336 4.097 ( -2.814 -4.873 -0.000) 5.627 4.458 ( 6.211 10.758 -0.000) 12.422 4.520 ( -0.616 -1.068 -0.000) 1.233 4.522 ( 0.155 0.270 0.000) 0.311 5.323 ( -5.723 -9.912 -0.000) 11.445 5.386 ( -3.562 -6.169 -0.000) 7.123 5.582 ( -1.038 -1.798 -0.000) 2.076 5.766 ( 2.281 3.950 -0.000) 4.561 6.313 ( 0.921 1.595 -0.000) 1.842 6.397 ( -2.923 -5.062 -0.000) 5.845 7.347 ( 9.761 16.907 -0.000) 19.523 7.494 ( 5.421 9.389 0.000) 10.842 7.560 ( -13.263 -22.972 -0.000) 26.526 7.822 ( 1.465 2.537 -0.000) 2.930 8.743 ( -4.469 -7.741 -0.000) 8.938 8.779 ( -2.064 -3.576 -0.000) 4.129 9.321 ( 1.753 3.036 0.000) 3.506 9.360 ( 9.186 15.910 -0.000) 18.372 10.585 ( 0.239 0.415 0.000) 0.479 10.592 ( -0.255 -0.442 -0.000) 0.511 10.651 ( -4.570 -7.916 -0.000) 9.140 10.836 ( 0.437 0.757 -0.000) 0.874 11.064 ( -0.163 -0.281 0.000) 0.325 11.133 ( -3.496 -6.056 -0.000) 6.993 11.907 ( 10.061 17.427 -0.000) 20.122 11.971 ( 1.285 2.226 -0.000) 2.570 12.396 ( -6.240 -10.807 -0.000) 12.479 12.720 ( -1.242 -2.151 -0.000) 2.483 13.070 ( -4.386 -7.597 -0.000) 8.772 13.182 ( -2.356 -4.081 -0.000) 4.713 14.933 ( -3.975 -6.884 -0.000) 7.949 15.295 ( 3.296 5.708 -0.000) 6.591 15.631 ( -0.890 -1.542 -0.000) 1.781 16.528 ( -2.958 -5.123 -0.000) 5.916 17.149 ( 0.686 1.188 -0.000) 1.371 17.731 ( -4.093 -7.089 0.000) 8.186 18.058 ( 0.292 0.507 -0.000) 0.585 18.127 ( 2.437 4.220 -0.000) 4.873 18.401 ( 4.537 7.858 -0.000) 9.074 18.537 ( 1.477 2.559 0.000) 2.955 18.844 ( 2.480 4.295 -0.000) 4.960 18.964 ( -2.261 -3.916 -0.000) 4.522 ======================= Grid point 181 (59/65) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 0.000 1.118 -0.338) 1.168 1.336 ( 0.000 -0.919 1.078) 1.417 1.374 ( 0.000 0.823 -0.067) 0.825 1.433 ( -0.000 0.097 -1.211) 1.215 1.477 ( 0.000 0.378 2.379) 2.409 1.637 ( -0.000 -1.631 -0.665) 1.761 2.044 ( 0.000 0.836 0.676) 1.076 2.289 ( 0.000 -20.945 27.247) 34.367 3.037 ( -0.000 11.417 -8.859) 14.451 3.148 ( -0.000 13.016 -13.231) 18.560 3.683 ( -0.000 -5.600 -15.633) 16.606 4.010 ( -0.000 -7.025 -5.533) 8.942 4.181 ( 0.000 8.618 -2.418) 8.950 4.338 ( -0.000 -17.709 3.522) 18.056 4.432 ( 0.000 13.868 5.349) 14.864 4.791 ( -0.000 -7.538 -3.387) 8.264 5.413 ( 0.000 -1.944 4.332) 4.748 5.447 ( 0.000 -7.170 5.633) 9.118 5.630 ( -0.000 -8.994 0.727) 9.024 5.774 ( 0.000 1.347 3.605) 3.848 6.214 ( -0.000 -0.233 -2.720) 2.730 6.487 ( -0.000 -3.248 -0.626) 3.307 6.693 ( -0.000 -1.930 -3.901) 4.353 7.392 ( 0.000 6.443 4.875) 8.079 7.916 ( -0.000 -16.405 -7.656) 18.104 8.149 ( 0.000 13.738 2.731) 14.007 8.803 ( -0.000 -5.002 -17.259) 17.969 8.851 ( -0.000 -0.584 -3.519) 3.567 9.061 ( 0.000 21.220 6.657) 22.240 9.226 ( 0.000 -1.556 9.259) 9.389 10.517 ( -0.000 1.532 -2.029) 2.542 10.602 ( 0.000 -0.267 0.932) 0.969 10.832 ( -0.000 -5.435 -2.899) 6.160 10.913 ( 0.000 0.468 4.771) 4.794 10.983 ( -0.000 2.344 -3.557) 4.260 11.247 ( 0.000 -4.327 3.027) 5.281 11.669 ( 0.000 10.901 3.583) 11.475 11.981 ( -0.000 5.257 -6.692) 8.510 12.443 ( -0.000 -20.313 4.522) 20.811 12.745 ( -0.000 -4.345 -2.002) 4.784 13.020 ( -0.000 -8.780 2.348) 9.089 13.403 ( -0.000 1.574 -5.305) 5.533 15.002 ( -0.000 -6.678 -26.650) 27.474 15.217 ( 0.000 5.670 22.398) 23.105 15.666 ( -0.000 -4.838 -0.202) 4.842 16.606 ( 0.000 -6.826 3.944) 7.883 17.153 ( 0.000 0.800 3.099) 3.201 17.804 ( 0.000 -3.995 4.287) 5.860 18.029 ( -0.000 -1.897 -9.345) 9.536 18.099 ( 0.000 7.668 1.471) 7.808 18.245 ( 0.000 6.324 -2.824) 6.926 18.532 ( 0.000 4.533 -0.586) 4.570 18.803 ( 0.000 6.914 6.743) 9.658 19.008 ( -0.000 -4.447 -0.257) 4.455 ======================= Grid point 230 (60/65) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.000 -0.000 3.402) 3.402 1.198 ( 0.000 -0.000 3.402) 3.402 1.393 ( -0.000 0.000 -0.188) 0.188 1.445 ( -0.000 0.000 -0.860) 0.860 1.445 ( -0.000 0.000 -0.860) 0.860 1.656 ( 0.000 -0.000 3.601) 3.601 1.856 ( 0.000 -0.000 4.340) 4.340 1.856 ( 0.000 -0.000 4.340) 4.340 2.929 ( -0.000 0.000 -7.089) 7.089 3.349 ( 0.000 -0.000 39.631) 39.631 3.680 ( 0.000 0.000 -1.433) 1.433 3.680 ( -0.000 -0.000 -1.433) 1.433 4.288 ( 0.000 -0.000 9.080) 9.080 4.288 ( 0.000 -0.000 9.080) 9.080 4.651 ( -0.000 0.000 -4.265) 4.265 4.651 ( -0.000 0.000 -4.265) 4.265 5.784 ( -0.000 0.000 -0.205) 0.205 5.784 ( 0.000 0.000 -0.205) 0.205 5.832 ( 0.000 -0.000 0.676) 0.676 6.242 ( 0.000 -0.000 1.936) 1.936 6.323 ( 0.000 -0.000 2.011) 2.011 6.325 ( 0.000 -0.000 1.125) 1.125 6.325 ( 0.000 -0.000 1.125) 1.125 7.183 ( 0.000 -0.000 9.314) 9.314 7.663 ( 0.000 -0.000 2.437) 2.437 7.663 ( 0.000 -0.000 2.437) 2.437 8.389 ( 0.000 -0.000 1.274) 1.274 9.036 ( -0.000 0.000 -2.136) 2.136 9.036 ( -0.000 0.000 -2.136) 2.136 9.544 ( -0.000 0.000 -2.656) 2.656 10.294 ( 0.000 -0.000 10.272) 10.272 10.294 ( 0.000 -0.000 10.272) 10.272 10.742 ( -0.000 0.000 -7.915) 7.915 10.742 ( -0.000 0.000 -7.915) 7.915 11.180 ( -0.000 0.000 -1.123) 1.123 11.638 ( -0.000 0.000 -1.093) 1.093 11.638 ( -0.000 0.000 -1.093) 1.093 11.677 ( 0.000 -0.000 4.695) 4.695 12.918 ( 0.000 -0.000 2.948) 2.948 13.190 ( -0.000 0.000 -0.866) 0.866 13.190 ( -0.000 0.000 -0.866) 0.866 13.475 ( 0.000 -0.000 8.394) 8.394 15.182 ( -0.000 0.000 -15.667) 15.667 15.182 ( -0.000 0.000 -15.667) 15.667 16.024 ( 0.000 -0.000 20.090) 20.090 16.909 ( 0.000 -0.000 25.419) 25.419 17.360 ( 0.000 -0.000 0.359) 0.359 17.360 ( 0.000 -0.000 0.359) 0.359 17.506 ( 0.000 -0.000 0.047) 0.047 18.072 ( 0.000 -0.000 2.347) 2.347 18.072 ( 0.000 -0.000 2.347) 2.347 18.392 ( 0.000 -0.000 0.655) 0.655 18.392 ( 0.000 -0.000 0.655) 0.655 19.178 ( -0.000 0.000 -0.097) 0.097 ======================= Grid point 231 (61/65) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 0.351 0.203 2.488) 2.521 1.251 ( 2.141 1.236 0.478) 2.518 1.390 ( -0.269 -0.155 -0.129) 0.336 1.431 ( -0.452 -0.261 -0.038) 0.523 1.456 ( 1.061 0.613 -0.986) 1.573 1.668 ( -0.592 -0.342 2.239) 2.341 1.927 ( 3.989 2.303 1.781) 4.938 2.097 ( 16.517 9.536 -0.067) 19.072 2.872 ( -1.031 -0.595 -4.232) 4.396 3.346 ( -14.370 -8.296 21.099) 26.842 3.560 ( -4.325 -2.497 11.834) 12.844 3.856 ( 6.354 3.668 -1.912) 7.582 4.297 ( -0.455 -0.262 -0.725) 0.895 4.404 ( -5.507 -3.179 -1.466) 6.526 4.569 ( 6.619 3.821 9.787) 12.418 4.732 ( 2.392 1.381 -3.548) 4.496 5.654 ( -10.204 -5.891 -1.091) 11.833 5.687 ( -5.391 -3.113 0.789) 6.275 5.797 ( -1.759 -1.015 0.111) 2.034 6.127 ( -9.679 -5.588 -0.342) 11.181 6.207 ( -1.843 -1.064 1.157) 2.423 6.479 ( 4.183 2.415 1.085) 4.951 6.491 ( 9.616 5.552 1.007) 11.149 7.223 ( -0.872 -0.504 8.072) 8.134 7.688 ( 2.550 1.472 1.880) 3.493 7.978 ( 22.180 12.805 1.413) 25.650 8.409 ( 0.905 0.522 -1.513) 1.838 8.898 ( -5.802 -3.350 4.230) 7.923 9.069 ( -3.040 -1.755 -7.117) 7.936 9.409 ( -7.219 -4.168 -1.242) 8.428 10.375 ( 1.705 0.984 7.149) 7.415 10.457 ( 6.453 3.726 9.397) 11.993 10.653 ( 1.682 0.971 -2.500) 3.166 10.818 ( 6.388 3.688 -10.305) 12.673 11.117 ( -4.524 -2.612 -1.419) 5.413 11.524 ( -6.057 -3.497 -0.006) 6.995 11.609 ( -1.409 -0.813 -0.727) 1.782 11.798 ( 4.291 2.477 1.974) 5.334 12.886 ( -3.857 -2.227 1.777) 4.795 13.110 ( -7.396 -4.270 -1.992) 8.769 13.202 ( 1.985 1.146 1.215) 2.594 13.451 ( -6.167 -3.560 5.317) 8.887 15.009 ( -3.209 -1.853 -3.219) 4.908 15.218 ( 6.665 3.848 -17.543) 19.157 16.009 ( -7.927 -4.576 4.003) 9.990 17.017 ( -3.795 -2.191 27.845) 28.187 17.113 ( -12.881 -7.437 -1.664) 14.967 17.522 ( 11.591 6.692 -2.009) 13.534 17.768 ( 13.192 7.616 0.779) 15.253 18.039 ( -2.623 -1.514 4.474) 5.403 18.110 ( 0.411 0.237 -2.132) 2.184 18.388 ( 0.538 0.311 1.779) 1.885 18.482 ( 6.316 3.646 0.189) 7.295 19.156 ( -1.835 -1.060 -0.114) 2.122 ======================= Grid point 232 (62/65) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 1.226 0.708 1.345) 1.953 1.306 ( 2.577 1.488 -0.229) 2.984 1.379 ( -0.689 -0.398 0.151) 0.810 1.426 ( -0.212 -0.122 0.944) 0.975 1.472 ( 1.002 0.579 -1.379) 1.800 1.660 ( -1.067 -0.616 1.022) 1.600 2.015 ( 2.824 1.630 -0.550) 3.307 2.486 ( 14.698 8.486 -3.566) 17.342 2.864 ( 2.311 1.334 1.425) 3.025 3.069 ( -14.086 -8.132 3.018) 16.543 3.623 ( -1.614 -0.932 20.877) 20.961 3.999 ( 6.776 3.912 0.525) 7.841 4.190 ( -9.814 -5.666 1.064) 11.382 4.294 ( 3.959 2.286 -7.517) 8.798 4.646 ( -8.500 -4.908 -3.390) 10.385 4.787 ( 3.509 2.026 7.294) 8.343 5.470 ( -3.316 -1.915 -3.012) 4.872 5.583 ( -3.983 -2.300 -1.808) 4.942 5.750 ( -2.707 -1.563 1.341) 3.401 5.896 ( -8.930 -5.156 -3.755) 10.974 6.198 ( -0.453 -0.261 3.214) 3.256 6.525 ( -0.312 -0.180 0.337) 0.493 6.661 ( 3.601 2.079 2.043) 4.633 7.285 ( 2.672 1.543 4.734) 5.650 7.830 ( 9.051 5.225 2.073) 10.654 8.305 ( -9.612 -5.549 -7.518) 13.405 8.542 ( 23.593 13.622 2.530) 27.360 8.838 ( -2.706 -1.562 7.363) 7.999 8.882 ( -5.800 -3.349 0.775) 6.742 9.305 ( -1.398 -0.807 -5.435) 5.669 10.457 ( 1.927 1.112 4.337) 4.875 10.579 ( 2.464 1.422 -1.046) 3.031 10.809 ( 7.058 4.075 8.215) 11.571 10.887 ( 5.625 3.248 -9.859) 11.806 10.979 ( -6.196 -3.577 -0.423) 7.167 11.379 ( -5.954 -3.438 -1.855) 7.121 11.584 ( 0.661 0.381 -1.536) 1.715 11.884 ( 2.277 1.314 2.612) 3.706 12.806 ( -3.868 -2.233 2.413) 5.076 12.841 ( -14.351 -8.286 -3.349) 16.906 13.212 ( -4.805 -2.774 -2.302) 6.007 13.348 ( -2.241 -1.294 6.716) 7.198 14.971 ( -3.347 -1.932 11.918) 12.528 15.237 ( 6.175 3.565 -20.175) 21.398 15.816 ( -8.608 -4.970 0.063) 9.939 16.824 ( -10.692 -6.173 -3.184) 12.750 17.113 ( -1.071 -0.618 14.386) 14.439 17.762 ( 9.448 5.455 -2.374) 11.164 18.017 ( -1.749 -1.010 6.517) 6.823 18.049 ( 9.760 5.635 1.814) 11.415 18.064 ( -0.956 -0.552 -6.099) 6.198 18.441 ( 2.694 1.556 2.459) 3.965 18.657 ( 8.567 4.946 -1.529) 10.010 19.095 ( -3.463 -2.000 -0.082) 4.000 ======================= Grid point 240 (63/65) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 0.000 0.742 -0.061) 0.745 1.246 ( 0.000 2.308 0.979) 2.507 1.389 ( -0.000 -0.196 -0.121) 0.230 1.439 ( -0.000 0.074 -0.701) 0.704 1.440 ( 0.000 0.493 0.379) 0.622 1.680 ( 0.000 -0.687 1.064) 1.266 1.946 ( 0.000 4.340 -0.525) 4.372 2.094 ( 0.000 18.788 0.138) 18.788 2.852 ( -0.000 -0.175 -2.419) 2.426 3.326 ( 0.000 -23.046 17.317) 28.827 3.775 ( -0.000 8.211 -9.014) 12.193 3.848 ( 0.000 6.947 5.294) 8.734 4.325 ( -0.000 -9.457 -1.564) 9.586 4.341 ( 0.000 -3.750 3.173) 4.912 4.604 ( 0.000 3.471 8.015) 8.734 4.729 ( -0.000 7.746 -4.720) 9.070 5.632 ( -0.000 -13.191 0.718) 13.211 5.693 ( -0.000 -7.169 0.158) 7.170 5.795 ( -0.000 -2.097 0.438) 2.143 6.115 ( -0.000 -12.645 0.810) 12.671 6.233 ( -0.000 0.060 -1.561) 1.562 6.476 ( 0.000 4.532 1.300) 4.715 6.500 ( 0.000 11.409 -0.080) 11.409 7.270 ( 0.000 -0.188 4.350) 4.354 7.719 ( 0.000 3.301 -1.243) 3.527 7.960 ( 0.000 24.855 2.786) 25.011 8.391 ( -0.000 -1.265 -0.574) 1.389 8.938 ( 0.000 -4.671 5.315) 7.076 9.040 ( -0.000 -0.561 -8.558) 8.576 9.403 ( -0.000 -9.586 -0.571) 9.603 10.450 ( 0.000 3.369 6.689) 7.490 10.466 ( 0.000 3.097 2.024) 3.700 10.621 ( 0.000 2.119 4.781) 5.229 10.776 ( -0.000 9.211 -10.662) 14.089 11.108 ( -0.000 -5.047 -1.003) 5.145 11.515 ( -0.000 -7.914 0.939) 7.970 11.611 ( -0.000 -1.726 -0.909) 1.950 11.814 ( 0.000 5.445 0.803) 5.504 12.904 ( -0.000 -3.552 0.322) 3.566 13.077 ( -0.000 -10.074 1.124) 10.137 13.215 ( 0.000 1.334 0.029) 1.335 13.489 ( -0.000 -5.284 1.548) 5.506 15.006 ( 0.000 -0.110 2.111) 2.114 15.116 ( -0.000 5.216 -13.068) 14.071 16.025 ( -0.000 -10.114 1.030) 10.166 17.088 ( -0.000 -16.392 0.699) 16.407 17.176 ( 0.000 -3.741 15.822) 16.258 17.517 ( 0.000 12.722 -2.989) 13.069 17.771 ( 0.000 15.729 0.480) 15.737 18.055 ( 0.000 -3.226 3.023) 4.421 18.104 ( -0.000 -0.001 -1.897) 1.897 18.423 ( -0.000 1.977 -1.322) 2.378 18.457 ( 0.000 6.369 2.626) 6.889 19.156 ( -0.000 -2.128 -0.070) 2.129 ======================= Grid point 241 (64/65) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.649 1.124 -0.000) 1.298 1.286 ( 1.477 2.558 -0.000) 2.953 1.383 ( -0.334 -0.578 -0.000) 0.668 1.438 ( 0.183 0.317 0.000) 0.366 1.453 ( 0.302 0.523 -0.000) 0.604 1.670 ( -0.544 -0.942 -0.000) 1.087 2.044 ( 4.121 7.138 -0.000) 8.243 2.333 ( 7.412 12.838 -0.000) 14.825 2.871 ( 2.248 3.893 -0.000) 4.495 3.106 ( -11.108 -19.240 0.000) 22.216 3.779 ( 1.378 2.387 0.000) 2.756 3.957 ( 3.291 5.701 -0.000) 6.583 4.161 ( -2.608 -4.517 -0.000) 5.215 4.351 ( -1.404 -2.431 -0.000) 2.807 4.655 ( -0.813 -1.408 0.000) 1.626 4.776 ( 0.252 0.436 -0.000) 0.503 5.527 ( -4.815 -8.341 -0.000) 9.631 5.535 ( -2.833 -4.906 -0.000) 5.665 5.752 ( -1.323 -2.292 -0.000) 2.647 5.934 ( -6.612 -11.452 -0.000) 13.224 6.238 ( 0.838 1.452 -0.000) 1.677 6.514 ( 0.134 0.232 -0.000) 0.268 6.717 ( 8.050 13.942 -0.000) 16.099 7.296 ( 0.893 1.546 -0.000) 1.785 7.715 ( 0.590 1.022 -0.000) 1.181 8.319 ( -5.032 -8.716 -0.000) 10.065 8.417 ( 16.161 27.992 -0.000) 32.323 8.901 ( -2.696 -4.670 -0.000) 5.392 8.932 ( -2.042 -3.537 0.000) 4.084 9.301 ( -2.109 -3.653 -0.000) 4.218 10.499 ( 1.663 2.880 0.000) 3.326 10.514 ( 0.885 1.534 -0.000) 1.771 10.755 ( 2.320 4.018 -0.000) 4.640 10.850 ( 5.479 9.489 0.000) 10.957 11.016 ( -3.411 -5.907 -0.000) 6.821 11.404 ( -4.151 -7.190 0.000) 8.302 11.587 ( -0.230 -0.399 -0.000) 0.461 11.878 ( 1.850 3.204 -0.000) 3.699 12.841 ( -2.177 -3.771 -0.000) 4.354 12.907 ( -7.363 -12.752 -0.000) 14.725 13.242 ( 0.574 0.995 -0.000) 1.148 13.379 ( -4.379 -7.585 -0.000) 8.758 15.068 ( 0.333 0.577 -0.000) 0.667 15.093 ( 2.259 3.912 0.000) 4.518 15.871 ( -5.425 -9.396 -0.000) 10.849 16.875 ( -7.065 -12.236 -0.000) 14.129 17.175 ( -1.675 -2.900 -0.000) 3.349 17.690 ( 6.214 10.764 -0.000) 12.429 17.992 ( 7.254 12.565 -0.000) 14.508 18.033 ( -1.506 -2.609 -0.000) 3.013 18.073 ( -0.562 -0.973 0.000) 1.123 18.444 ( 1.266 2.193 -0.000) 2.532 18.589 ( 4.414 7.645 -0.000) 8.827 19.114 ( -1.771 -3.067 -0.000) 3.541 ======================= Grid point 314 (65/65) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 0.000 -0.000 0.000) 0.000 1.231 ( 0.000 -0.000 0.000) 0.000 1.390 ( 0.000 -0.000 0.000) 0.000 1.435 ( 0.000 -0.000 0.000) 0.000 1.435 ( 0.000 -0.000 0.000) 0.000 1.693 ( 0.000 -0.000 0.000) 0.000 1.898 ( 0.000 -0.000 0.000) 0.000 1.898 ( 0.000 -0.000 0.000) 0.000 2.852 ( 0.000 -0.000 0.000) 0.000 3.656 ( 0.000 -0.000 0.000) 0.000 3.656 ( 0.000 -0.000 0.000) 0.000 3.776 ( 0.000 -0.000 0.000) 0.000 4.440 ( -0.000 0.000 -0.000) 0.000 4.440 ( -0.000 0.000 -0.000) 0.000 4.563 ( 0.000 -0.000 0.000) 0.000 4.563 ( 0.000 -0.000 0.000) 0.000 5.781 ( 0.000 -0.000 0.000) 0.000 5.781 ( 0.000 -0.000 0.000) 0.000 5.838 ( 0.000 -0.000 0.000) 0.000 6.247 ( 0.000 -0.000 0.000) 0.000 6.338 ( 0.000 -0.000 0.000) 0.000 6.338 ( 0.000 -0.000 0.000) 0.000 6.344 ( 0.000 -0.000 0.000) 0.000 7.288 ( 0.000 -0.000 0.000) 0.000 7.689 ( 0.000 -0.000 0.000) 0.000 7.689 ( 0.000 -0.000 0.000) 0.000 8.392 ( 0.000 -0.000 0.000) 0.000 9.015 ( 0.000 -0.000 0.000) 0.000 9.015 ( 0.000 -0.000 0.000) 0.000 9.522 ( 0.000 -0.000 0.000) 0.000 10.441 ( 0.000 -0.000 0.000) 0.000 10.441 ( 0.000 -0.000 0.000) 0.000 10.619 ( 0.000 0.000 0.000) 0.000 10.619 ( 0.000 -0.000 0.000) 0.000 11.157 ( 0.000 -0.000 0.000) 0.000 11.626 ( 0.000 -0.000 0.000) 0.000 11.626 ( 0.000 -0.000 0.000) 0.000 11.735 ( -0.000 0.000 -0.000) 0.000 12.951 ( 0.000 -0.000 0.000) 0.000 13.182 ( 0.000 -0.000 0.000) 0.000 13.182 ( 0.000 -0.000 0.000) 0.000 13.561 ( 0.000 -0.000 0.000) 0.000 15.013 ( 0.000 -0.000 0.000) 0.000 15.013 ( 0.000 -0.000 0.000) 0.000 16.149 ( 0.000 -0.000 0.000) 0.000 17.274 ( 0.000 -0.000 0.000) 0.000 17.363 ( 0.000 -0.000 0.000) 0.000 17.363 ( 0.000 -0.000 0.000) 0.000 17.507 ( 0.000 -0.000 0.000) 0.000 18.100 ( 0.000 -0.000 0.000) 0.000 18.100 ( 0.000 -0.000 0.000) 0.000 18.396 ( 0.000 -0.000 0.000) 0.000 18.396 ( 0.000 -0.000 0.000) 0.000 19.177 ( 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 3/27648 10.0 69.198 69.198 59.408 0.000 -0.000 0.000 3/27648 20.0 22.120 22.120 26.814 0.000 -0.000 0.000 3/27648 30.0 12.834 12.834 17.552 0.000 -0.000 0.000 3/27648 40.0 9.544 9.544 13.185 0.000 -0.000 0.000 3/27648 50.0 7.809 7.809 10.577 0.000 -0.000 0.000 3/27648 60.0 6.677 6.677 8.827 0.000 -0.000 0.000 3/27648 70.0 5.853 5.853 7.566 0.000 -0.000 0.000 3/27648 80.0 5.213 5.213 6.616 0.000 -0.000 0.000 3/27648 90.0 4.698 4.698 5.875 0.000 -0.000 0.000 3/27648 100.0 4.273 4.273 5.282 0.000 -0.000 0.000 3/27648 110.0 3.916 3.916 4.799 0.000 -0.000 0.000 3/27648 120.0 3.611 3.611 4.397 0.000 -0.000 0.000 3/27648 130.0 3.349 3.349 4.058 0.000 -0.000 0.000 3/27648 140.0 3.120 3.120 3.769 0.000 -0.000 0.000 3/27648 150.0 2.919 2.919 3.520 0.000 -0.000 0.000 3/27648 160.0 2.742 2.742 3.303 0.000 -0.000 0.000 3/27648 170.0 2.584 2.584 3.112 0.000 -0.000 0.000 3/27648 180.0 2.443 2.443 2.943 0.000 -0.000 0.000 3/27648 190.0 2.316 2.316 2.792 0.000 -0.000 0.000 3/27648 200.0 2.202 2.202 2.656 0.000 -0.000 0.000 3/27648 210.0 2.098 2.098 2.534 0.000 -0.000 0.000 3/27648 220.0 2.003 2.003 2.422 0.000 -0.000 0.000 3/27648 230.0 1.916 1.916 2.321 0.000 -0.000 0.000 3/27648 240.0 1.837 1.837 2.228 0.000 -0.000 0.000 3/27648 250.0 1.764 1.764 2.142 0.000 -0.000 0.000 3/27648 260.0 1.696 1.696 2.063 0.000 -0.000 0.000 3/27648 270.0 1.633 1.633 1.989 0.000 -0.000 0.000 3/27648 280.0 1.575 1.575 1.921 0.000 -0.000 0.000 3/27648 290.0 1.521 1.521 1.857 0.000 -0.000 0.000 3/27648 300.0 1.470 1.470 1.798 0.000 -0.000 0.000 3/27648 310.0 1.423 1.423 1.742 0.000 -0.000 0.000 3/27648 320.0 1.378 1.378 1.690 0.000 -0.000 0.000 3/27648 330.0 1.337 1.337 1.640 0.000 -0.000 0.000 3/27648 340.0 1.297 1.297 1.594 0.000 -0.000 0.000 3/27648 350.0 1.260 1.260 1.550 0.000 -0.000 0.000 3/27648 360.0 1.225 1.225 1.509 0.000 -0.000 0.000 3/27648 370.0 1.192 1.192 1.469 0.000 -0.000 0.000 3/27648 380.0 1.161 1.161 1.432 0.000 -0.000 0.000 3/27648 390.0 1.131 1.131 1.396 0.000 -0.000 0.000 3/27648 400.0 1.103 1.103 1.363 0.000 -0.000 0.000 3/27648 410.0 1.076 1.076 1.330 0.000 -0.000 0.000 3/27648 420.0 1.050 1.050 1.300 0.000 -0.000 0.000 3/27648 430.0 1.026 1.026 1.270 0.000 -0.000 0.000 3/27648 440.0 1.003 1.003 1.242 0.000 -0.000 0.000 3/27648 450.0 0.980 0.980 1.216 0.000 -0.000 0.000 3/27648 460.0 0.959 0.959 1.190 0.000 -0.000 0.000 3/27648 470.0 0.939 0.939 1.165 0.000 -0.000 0.000 3/27648 480.0 0.919 0.919 1.142 0.000 -0.000 0.000 3/27648 490.0 0.901 0.901 1.119 0.000 -0.000 0.000 3/27648 500.0 0.883 0.883 1.097 0.000 -0.000 0.000 3/27648 510.0 0.865 0.865 1.076 0.000 -0.000 0.000 3/27648 520.0 0.849 0.849 1.056 0.000 -0.000 0.000 3/27648 530.0 0.833 0.833 1.037 0.000 -0.000 0.000 3/27648 540.0 0.817 0.817 1.018 0.000 -0.000 0.000 3/27648 550.0 0.802 0.802 1.000 0.000 -0.000 0.000 3/27648 560.0 0.788 0.788 0.982 0.000 -0.000 0.000 3/27648 570.0 0.774 0.774 0.965 0.000 -0.000 0.000 3/27648 580.0 0.761 0.761 0.949 0.000 -0.000 0.000 3/27648 590.0 0.748 0.748 0.933 0.000 -0.000 0.000 3/27648 600.0 0.736 0.736 0.918 0.000 -0.000 0.000 3/27648 610.0 0.724 0.724 0.903 0.000 -0.000 0.000 3/27648 620.0 0.712 0.712 0.889 0.000 -0.000 0.000 3/27648 630.0 0.701 0.701 0.875 0.000 -0.000 0.000 3/27648 640.0 0.690 0.690 0.862 0.000 -0.000 0.000 3/27648 650.0 0.679 0.679 0.849 0.000 -0.000 0.000 3/27648 660.0 0.669 0.669 0.836 0.000 -0.000 0.000 3/27648 670.0 0.659 0.659 0.824 0.000 -0.000 0.000 3/27648 680.0 0.649 0.649 0.812 0.000 -0.000 0.000 3/27648 690.0 0.640 0.640 0.800 0.000 -0.000 0.000 3/27648 700.0 0.631 0.631 0.789 0.000 -0.000 0.000 3/27648 710.0 0.622 0.622 0.778 0.000 -0.000 0.000 3/27648 720.0 0.613 0.613 0.768 0.000 -0.000 0.000 3/27648 730.0 0.605 0.605 0.757 0.000 -0.000 0.000 3/27648 740.0 0.597 0.597 0.747 0.000 -0.000 0.000 3/27648 750.0 0.589 0.589 0.737 0.000 -0.000 0.000 3/27648 760.0 0.581 0.581 0.728 0.000 -0.000 0.000 3/27648 770.0 0.573 0.573 0.718 0.000 -0.000 0.000 3/27648 780.0 0.566 0.566 0.709 0.000 -0.000 0.000 3/27648 790.0 0.559 0.559 0.700 0.000 -0.000 0.000 3/27648 800.0 0.552 0.552 0.692 0.000 -0.000 0.000 3/27648 810.0 0.545 0.545 0.683 0.000 -0.000 0.000 3/27648 820.0 0.538 0.538 0.675 0.000 -0.000 0.000 3/27648 830.0 0.532 0.532 0.667 0.000 -0.000 0.000 3/27648 840.0 0.526 0.526 0.659 0.000 -0.000 0.000 3/27648 850.0 0.519 0.519 0.652 0.000 -0.000 0.000 3/27648 860.0 0.513 0.513 0.644 0.000 -0.000 0.000 3/27648 870.0 0.508 0.508 0.637 0.000 -0.000 0.000 3/27648 880.0 0.502 0.502 0.630 0.000 -0.000 0.000 3/27648 890.0 0.496 0.496 0.623 0.000 -0.000 0.000 3/27648 900.0 0.491 0.491 0.616 0.000 -0.000 0.000 3/27648 910.0 0.485 0.485 0.609 0.000 -0.000 0.000 3/27648 920.0 0.480 0.480 0.602 0.000 -0.000 0.000 3/27648 930.0 0.475 0.475 0.596 0.000 -0.000 0.000 3/27648 940.0 0.470 0.470 0.590 0.000 -0.000 0.000 3/27648 950.0 0.465 0.465 0.584 0.000 -0.000 0.000 3/27648 960.0 0.460 0.460 0.578 0.000 -0.000 0.000 3/27648 970.0 0.455 0.455 0.572 0.000 -0.000 0.000 3/27648 980.0 0.451 0.451 0.566 0.000 -0.000 0.000 3/27648 990.0 0.446 0.446 0.560 0.000 -0.000 0.000 3/27648 1000.0 0.442 0.442 0.555 0.000 -0.000 0.000 3/27648 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:29:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|