----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:35:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.376510069221015 -3.345356975000001 0.000000000000000 b 7.376510069221015 3.345356975000001 0.000000000000000 c -5.577922001847239 0.000000000000000 10.241557736525289 Atomic positions (fractional): *1 B 0.83754158587743 0.39923036496108 0.84769411161229 10.811 2 B 0.60076963503892 0.16245841412257 0.65230588838771 10.811 3 B 0.16245841412257 0.60076963503893 0.15230588838771 10.811 4 B 0.39923036496108 0.83754158587743 0.34769411161229 10.811 *5 Na 0.67725533264346 0.10931403344950 0.96774889328555 22.990 6 Na 0.89068596655049 0.32274466735654 0.53225110671445 22.990 7 Na 0.32274466735654 0.89068596655049 0.03225110671445 22.990 8 Na 0.10931403344950 0.67725533264346 0.46774889328554 22.990 *9 Se 0.51841908726659 0.48158091273341 0.75000000000000 78.960 10 Se 0.48158091273341 0.51841908726659 0.25000000000000 78.960 *11 Se 0.19896144778675 0.55963324954374 0.97838141555147 78.960 12 Se 0.44036675045626 0.80103855221325 0.52161858444853 78.960 13 Se 0.80103855221325 0.44036675045626 0.02161858444853 78.960 14 Se 0.55963324954374 0.19896144778675 0.47838141555147 78.960 *15 Se 0.85080147063244 0.62790665977322 0.82756892163640 78.960 16 Se 0.37209334022678 0.14919852936756 0.67243107836360 78.960 17 Se 0.14919852936756 0.37209334022678 0.17243107836360 78.960 18 Se 0.62790665977322 0.85080147063244 0.32756892163640 78.960 *19 Se 0.08808774665767 0.08671293857712 0.77157479604276 78.960 20 Se 0.91328706142288 0.91191225334233 0.72842520395724 78.960 21 Se 0.91191225334233 0.91328706142288 0.22842520395724 78.960 22 Se 0.08671293857712 0.08808774665767 0.27157479604276 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.753020138442031 0.000000000000000 0.000000000000000 b 0.000000000000000 6.690713950000002 0.000000000000000 c -5.577922001847239 0.000000000000000 10.241557736525289 Atomic positions (fractional): *1 B 0.11838597541925 0.28084438954182 0.84769411161229 10.811 > 1 2 B 0.88161402458075 0.28084438954182 0.65230588838771 10.811 > 2 3 B 0.88161402458075 0.71915561045818 0.15230588838771 10.811 > 3 4 B 0.11838597541925 0.71915561045818 0.34769411161229 10.811 > 4 5 B 0.61838597541925 0.78084438954182 0.84769411161229 10.811 > 1 6 B 0.38161402458075 0.78084438954182 0.65230588838771 10.811 > 2 7 B 0.38161402458075 0.21915561045818 0.15230588838771 10.811 > 3 8 B 0.61838597541925 0.21915561045818 0.34769411161229 10.811 > 4 *9 Na 0.39328468304648 0.71602935040302 0.96774889328555 22.990 > 5 10 Na 0.10671531695352 0.21602935040302 0.53225110671445 22.990 > 6 11 Na 0.60671531695352 0.28397064959698 0.03225110671445 22.990 > 7 12 Na 0.89328468304648 0.78397064959698 0.46774889328554 22.990 > 8 13 Na 0.89328468304648 0.21602935040302 0.96774889328555 22.990 > 5 14 Na 0.60671531695352 0.71602935040302 0.53225110671445 22.990 > 6 15 Na 0.10671531695352 0.78397064959698 0.03225110671445 22.990 > 7 16 Na 0.39328468304648 0.28397064959698 0.46774889328554 22.990 > 8 *17 Se 0.00000000000000 0.48158091273341 0.75000000000000 78.960 > 9 18 Se 0.00000000000000 0.51841908726659 0.25000000000000 78.960 > 10 *19 Se 0.37929734866525 0.18033590087849 0.97838141555147 78.960 > 11 20 Se 0.12070265133475 0.68033590087850 0.52161858444853 78.960 > 12 21 Se 0.62070265133475 0.81966409912150 0.02161858444853 78.960 > 13 22 Se 0.87929734866525 0.31966409912151 0.47838141555147 78.960 > 14 *23 Se 0.23935406520283 0.38855259457039 0.82756892163640 78.960 > 15 24 Se 0.26064593479717 0.88855259457039 0.67243107836360 78.960 > 16 25 Se 0.76064593479717 0.61144740542961 0.17243107836360 78.960 > 17 26 Se 0.73935406520283 0.11144740542961 0.32756892163640 78.960 > 18 *27 Se 0.08740034261740 0.99931259595972 0.77157479604276 78.960 > 19 28 Se 0.91259965738260 0.99931259595972 0.72842520395724 78.960 > 20 29 Se 0.91259965738260 0.00068740404028 0.22842520395724 78.960 > 21 30 Se 0.08740034261740 0.00068740404028 0.27157479604276 78.960 > 22 31 Se 0.50000000000000 0.98158091273341 0.75000000000000 78.960 > 9 32 Se 0.50000000000000 0.01841908726659 0.25000000000000 78.960 > 10 33 Se 0.87929734866525 0.68033590087850 0.97838141555147 78.960 > 11 34 Se 0.62070265133475 0.18033590087849 0.52161858444853 78.960 > 12 35 Se 0.12070265133475 0.31966409912151 0.02161858444853 78.960 > 13 36 Se 0.37929734866525 0.81966409912150 0.47838141555147 78.960 > 14 37 Se 0.73935406520283 0.88855259457039 0.82756892163640 78.960 > 15 38 Se 0.76064593479717 0.38855259457039 0.67243107836360 78.960 > 16 39 Se 0.26064593479717 0.11144740542961 0.17243107836360 78.960 > 17 40 Se 0.23935406520283 0.61144740542961 0.32756892163640 78.960 > 18 41 Se 0.58740034261740 0.49931259595972 0.77157479604276 78.960 > 19 42 Se 0.41259965738260 0.49931259595972 0.72842520395724 78.960 > 20 43 Se 0.41259965738260 0.50068740404028 0.22842520395724 78.960 > 21 44 Se 0.58740034261740 0.50068740404028 0.27157479604276 78.960 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.753020138442031 0.000000000000000 0.000000000000000 b 0.000000000000000 13.381427900000004 0.000000000000000 c -5.577922001847239 0.000000000000000 10.241557736525289 Atomic positions (fractional): *1 B 0.11838597541925 0.14042219477091 0.84769411161229 10.811 > 1 2 B 0.11838597541925 0.64042219477091 0.84769411161229 10.811 > 1 3 B 0.88161402458075 0.14042219477091 0.65230588838771 10.811 > 2 4 B 0.88161402458075 0.64042219477091 0.65230588838771 10.811 > 2 5 B 0.88161402458075 0.35957780522909 0.15230588838771 10.811 > 3 6 B 0.88161402458075 0.85957780522909 0.15230588838771 10.811 > 3 7 B 0.11838597541925 0.35957780522909 0.34769411161229 10.811 > 4 8 B 0.11838597541925 0.85957780522909 0.34769411161229 10.811 > 4 9 B 0.61838597541925 0.39042219477091 0.84769411161229 10.811 > 1 10 B 0.61838597541925 0.89042219477091 0.84769411161229 10.811 > 1 11 B 0.38161402458075 0.39042219477091 0.65230588838771 10.811 > 2 12 B 0.38161402458075 0.89042219477091 0.65230588838771 10.811 > 2 13 B 0.38161402458075 0.10957780522909 0.15230588838771 10.811 > 3 14 B 0.38161402458075 0.60957780522909 0.15230588838771 10.811 > 3 15 B 0.61838597541925 0.10957780522909 0.34769411161229 10.811 > 4 16 B 0.61838597541925 0.60957780522909 0.34769411161229 10.811 > 4 *17 Na 0.39328468304648 0.35801467520151 0.96774889328555 22.990 > 5 18 Na 0.39328468304648 0.85801467520151 0.96774889328555 22.990 > 5 19 Na 0.10671531695352 0.10801467520151 0.53225110671445 22.990 > 6 20 Na 0.10671531695352 0.60801467520151 0.53225110671445 22.990 > 6 21 Na 0.60671531695352 0.14198532479849 0.03225110671445 22.990 > 7 22 Na 0.60671531695352 0.64198532479849 0.03225110671445 22.990 > 7 23 Na 0.89328468304648 0.39198532479849 0.46774889328554 22.990 > 8 24 Na 0.89328468304648 0.89198532479849 0.46774889328554 22.990 > 8 25 Na 0.89328468304648 0.10801467520151 0.96774889328555 22.990 > 5 26 Na 0.89328468304648 0.60801467520151 0.96774889328555 22.990 > 5 27 Na 0.60671531695352 0.35801467520151 0.53225110671445 22.990 > 6 28 Na 0.60671531695352 0.85801467520151 0.53225110671445 22.990 > 6 29 Na 0.10671531695352 0.39198532479849 0.03225110671445 22.990 > 7 30 Na 0.10671531695352 0.89198532479849 0.03225110671445 22.990 > 7 31 Na 0.39328468304648 0.14198532479849 0.46774889328554 22.990 > 8 32 Na 0.39328468304648 0.64198532479849 0.46774889328554 22.990 > 8 *33 Se 0.00000000000000 0.24079045636671 0.75000000000000 78.960 > 9 34 Se 0.00000000000000 0.74079045636671 0.75000000000000 78.960 > 9 35 Se 0.00000000000000 0.25920954363329 0.25000000000000 78.960 > 10 36 Se 0.00000000000000 0.75920954363329 0.25000000000000 78.960 > 10 *37 Se 0.37929734866525 0.09016795043925 0.97838141555147 78.960 > 11 38 Se 0.37929734866525 0.59016795043925 0.97838141555147 78.960 > 11 39 Se 0.12070265133475 0.34016795043925 0.52161858444853 78.960 > 12 40 Se 0.12070265133475 0.84016795043925 0.52161858444853 78.960 > 12 41 Se 0.62070265133475 0.40983204956075 0.02161858444853 78.960 > 13 42 Se 0.62070265133475 0.90983204956075 0.02161858444853 78.960 > 13 43 Se 0.87929734866525 0.15983204956075 0.47838141555147 78.960 > 14 44 Se 0.87929734866525 0.65983204956075 0.47838141555147 78.960 > 14 *45 Se 0.23935406520283 0.19427629728519 0.82756892163640 78.960 > 15 46 Se 0.23935406520283 0.69427629728519 0.82756892163640 78.960 > 15 47 Se 0.26064593479717 0.44427629728519 0.67243107836360 78.960 > 16 48 Se 0.26064593479717 0.94427629728519 0.67243107836360 78.960 > 16 49 Se 0.76064593479717 0.30572370271481 0.17243107836360 78.960 > 17 50 Se 0.76064593479717 0.80572370271481 0.17243107836360 78.960 > 17 51 Se 0.73935406520283 0.05572370271481 0.32756892163640 78.960 > 18 52 Se 0.73935406520283 0.55572370271481 0.32756892163640 78.960 > 18 *53 Se 0.08740034261740 0.49965629797986 0.77157479604276 78.960 > 19 54 Se 0.08740034261740 0.99965629797986 0.77157479604276 78.960 > 19 55 Se 0.91259965738260 0.49965629797986 0.72842520395724 78.960 > 20 56 Se 0.91259965738260 0.99965629797986 0.72842520395724 78.960 > 20 57 Se 0.91259965738260 0.00034370202014 0.22842520395724 78.960 > 21 58 Se 0.91259965738260 0.50034370202014 0.22842520395724 78.960 > 21 59 Se 0.08740034261740 0.00034370202014 0.27157479604276 78.960 > 22 60 Se 0.08740034261740 0.50034370202014 0.27157479604276 78.960 > 22 61 Se 0.50000000000000 0.49079045636671 0.75000000000000 78.960 > 9 62 Se 0.50000000000000 0.99079045636671 0.75000000000000 78.960 > 9 63 Se 0.50000000000000 0.00920954363329 0.25000000000000 78.960 > 10 64 Se 0.50000000000000 0.50920954363329 0.25000000000000 78.960 > 10 65 Se 0.87929734866525 0.34016795043925 0.97838141555147 78.960 > 11 66 Se 0.87929734866525 0.84016795043925 0.97838141555147 78.960 > 11 67 Se 0.62070265133475 0.09016795043925 0.52161858444853 78.960 > 12 68 Se 0.62070265133475 0.59016795043925 0.52161858444853 78.960 > 12 69 Se 0.12070265133475 0.15983204956075 0.02161858444853 78.960 > 13 70 Se 0.12070265133475 0.65983204956075 0.02161858444853 78.960 > 13 71 Se 0.37929734866525 0.40983204956075 0.47838141555147 78.960 > 14 72 Se 0.37929734866525 0.90983204956075 0.47838141555147 78.960 > 14 73 Se 0.73935406520283 0.44427629728519 0.82756892163640 78.960 > 15 74 Se 0.73935406520283 0.94427629728519 0.82756892163640 78.960 > 15 75 Se 0.76064593479717 0.19427629728519 0.67243107836360 78.960 > 16 76 Se 0.76064593479717 0.69427629728519 0.67243107836360 78.960 > 16 77 Se 0.26064593479717 0.05572370271481 0.17243107836360 78.960 > 17 78 Se 0.26064593479717 0.55572370271481 0.17243107836360 78.960 > 17 79 Se 0.23935406520283 0.30572370271481 0.32756892163640 78.960 > 18 80 Se 0.23935406520283 0.80572370271481 0.32756892163640 78.960 > 18 81 Se 0.58740034261740 0.24965629797986 0.77157479604276 78.960 > 19 82 Se 0.58740034261740 0.74965629797986 0.77157479604276 78.960 > 19 83 Se 0.41259965738260 0.24965629797986 0.72842520395724 78.960 > 20 84 Se 0.41259965738260 0.74965629797986 0.72842520395724 78.960 > 20 85 Se 0.41259965738260 0.25034370202014 0.22842520395724 78.960 > 21 86 Se 0.41259965738260 0.75034370202014 0.22842520395724 78.960 > 21 87 Se 0.58740034261740 0.25034370202014 0.27157479604276 78.960 > 22 88 Se 0.58740034261740 0.75034370202014 0.27157479604276 78.960 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3006344 0.0000000 1.3579035 0.0000000 5.1903890 0.0000000 1.3579218 0.0000000 7.7494838 -------------------------- Born effective charges -------------------------- 1 B 1.0946428 0.1227960 0.1862454 0.0467463 0.5466346 0.3987261 -0.1061549 0.2589982 1.1638572 2 B 1.0946428 -0.1227960 0.1862454 -0.0467463 0.5466346 -0.3987261 -0.1061549 -0.2589982 1.1638572 3 B 1.0946428 0.1227960 0.1862454 0.0467463 0.5466346 0.3987261 -0.1061549 0.2589982 1.1638572 4 B 1.0946428 -0.1227960 0.1862454 -0.0467463 0.5466346 -0.3987261 -0.1061549 -0.2589982 1.1638572 5 Na 1.2061795 0.0458132 0.0329709 0.0928359 1.4455912 0.0968966 -0.0583964 -0.0747063 1.4605083 6 Na 1.2061795 -0.0458132 0.0329709 -0.0928359 1.4455912 -0.0968966 -0.0583964 0.0747063 1.4605083 7 Na 1.2061795 0.0458132 0.0329709 0.0928359 1.4455912 0.0968966 -0.0583964 -0.0747063 1.4605083 8 Na 1.2061795 -0.0458132 0.0329709 -0.0928359 1.4455912 -0.0968966 -0.0583964 0.0747063 1.4605083 9 Se -0.9344264 0.0000000 -1.2252563 0.0000000 -0.6706042 0.0000000 -0.6026090 0.0000000 -2.6366247 10 Se -0.9344264 0.0000000 -1.2252563 0.0000000 -0.6706042 0.0000000 -0.6026090 0.0000000 -2.6366247 11 Se -0.9469804 -0.3910514 0.9046330 -0.1587894 -0.4470946 -0.4518414 0.5421611 -0.9732143 0.5905068 12 Se -0.9469804 0.3910514 0.9046330 0.1587894 -0.4470946 0.4518414 0.5421611 0.9732143 0.5905068 13 Se -0.9469804 -0.3910514 0.9046330 -0.1587894 -0.4470946 -0.4518414 0.5421611 -0.9732143 0.5905068 14 Se -0.9469804 0.3910514 0.9046330 0.1587894 -0.4470946 0.4518414 0.5421611 0.9732143 0.5905068 15 Se -0.6416262 -0.1810485 -0.4138079 -0.1001280 -0.5947576 -0.3557545 -0.0851216 0.2666191 -1.2007664 16 Se -0.6416262 0.1810485 -0.4138079 0.1001280 -0.5947576 0.3557545 -0.0851216 -0.2666191 -1.2007664 17 Se -0.6416262 -0.1810485 -0.4138079 -0.1001280 -0.5947576 -0.3557545 -0.0851216 0.2666191 -1.2007664 18 Se -0.6416262 0.1810485 -0.4138079 0.1001280 -0.5947576 0.3557545 -0.0851216 -0.2666191 -1.2007664 19 Se -0.2450026 0.1414878 -0.0974132 -0.0118658 -0.6150715 0.0564020 0.0088163 -0.0419352 -0.6957935 20 Se -0.2450026 -0.1414878 -0.0974132 0.0118658 -0.6150715 -0.0564020 0.0088163 0.0419352 -0.6957935 21 Se -0.2450026 0.1414878 -0.0974132 -0.0118658 -0.6150715 0.0564020 0.0088163 -0.0419352 -0.6957935 22 Se -0.2450026 -0.1414878 -0.0974132 0.0118658 -0.6150715 -0.0564020 0.0088163 0.0419352 -0.6957935 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 10830/10830 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2279 Number of blocks in projector: 2279 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 277 Use standard eigh solver. Tree of FC basis block matrices: - (2279, 2230), data: False |-- (277, 271), data: True |-- (277, 271), data: True |-- (277, 271), data: True |-- (480, 470), data: True |-- (480, 470), data: True |-- (488, 477), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.587 Solver_block: 200 / 720 - Time: 0.526 Solver_block: 300 / 720 - Time: 0.530 Solver_block: 400 / 720 - Time: 0.522 Solver_block: 500 / 720 - Time: 0.522 Solver_block: 600 / 720 - Time: 0.524 Solver_block: 700 / 720 - Time: 0.528 Solver_block: 720 / 720 - Time: 0.195 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.015 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 10830/10830 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2279 Number of blocks in projector: 2279 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 277 Use standard eigh solver. Tree of FC basis block matrices: - (2279, 2230), data: False |-- (277, 271), data: True |-- (277, 271), data: True |-- (277, 271), data: True |-- (480, 470), data: True |-- (480, 470), data: True |-- (488, 477), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:36:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:36:18]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.376510069221015 -3.345356975000001 0.000000000000000 b 7.376510069221015 3.345356975000001 0.000000000000000 c -5.577922001847239 0.000000000000000 10.241557736525289 Atomic positions (fractional): 1 B 0.83754158587743 0.39923036496108 0.84769411161229 10.811 2 B 0.60076963503892 0.16245841412257 0.65230588838771 10.811 3 B 0.16245841412257 0.60076963503893 0.15230588838771 10.811 4 B 0.39923036496108 0.83754158587743 0.34769411161229 10.811 5 Na 0.67725533264346 0.10931403344950 0.96774889328555 22.990 6 Na 0.89068596655049 0.32274466735654 0.53225110671445 22.990 7 Na 0.32274466735654 0.89068596655049 0.03225110671445 22.990 8 Na 0.10931403344950 0.67725533264346 0.46774889328554 22.990 9 Se 0.51841908726659 0.48158091273341 0.75000000000000 78.960 10 Se 0.48158091273341 0.51841908726659 0.25000000000000 78.960 11 Se 0.19896144778675 0.55963324954374 0.97838141555147 78.960 12 Se 0.44036675045626 0.80103855221325 0.52161858444853 78.960 13 Se 0.80103855221325 0.44036675045626 0.02161858444853 78.960 14 Se 0.55963324954374 0.19896144778675 0.47838141555147 78.960 15 Se 0.85080147063244 0.62790665977322 0.82756892163640 78.960 16 Se 0.37209334022678 0.14919852936756 0.67243107836360 78.960 17 Se 0.14919852936756 0.37209334022678 0.17243107836360 78.960 18 Se 0.62790665977322 0.85080147063244 0.32756892163640 78.960 19 Se 0.08808774665767 0.08671293857712 0.77157479604276 78.960 20 Se 0.91328706142288 0.91191225334233 0.72842520395724 78.960 21 Se 0.91191225334233 0.91328706142288 0.22842520395724 78.960 22 Se 0.08671293857712 0.08808774665767 0.27157479604276 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.753020138442031 0.000000000000000 0.000000000000000 b 0.000000000000000 13.381427900000004 0.000000000000000 c -5.577922001847239 0.000000000000000 10.241557736525289 Atomic positions (fractional): 1 B 0.11838597541925 0.14042219477091 0.84769411161229 10.811 > 1 2 B 0.11838597541925 0.64042219477091 0.84769411161229 10.811 > 1 3 B 0.88161402458075 0.14042219477091 0.65230588838771 10.811 > 3 4 B 0.88161402458075 0.64042219477091 0.65230588838771 10.811 > 3 5 B 0.88161402458075 0.35957780522909 0.15230588838771 10.811 > 5 6 B 0.88161402458075 0.85957780522909 0.15230588838771 10.811 > 5 7 B 0.11838597541925 0.35957780522909 0.34769411161229 10.811 > 7 8 B 0.11838597541925 0.85957780522909 0.34769411161229 10.811 > 7 9 B 0.61838597541925 0.39042219477091 0.84769411161229 10.811 > 1 10 B 0.61838597541925 0.89042219477091 0.84769411161229 10.811 > 1 11 B 0.38161402458075 0.39042219477091 0.65230588838771 10.811 > 3 12 B 0.38161402458075 0.89042219477091 0.65230588838771 10.811 > 3 13 B 0.38161402458075 0.10957780522909 0.15230588838771 10.811 > 5 14 B 0.38161402458075 0.60957780522909 0.15230588838771 10.811 > 5 15 B 0.61838597541925 0.10957780522909 0.34769411161229 10.811 > 7 16 B 0.61838597541925 0.60957780522909 0.34769411161229 10.811 > 7 17 Na 0.39328468304648 0.35801467520151 0.96774889328555 22.990 > 17 18 Na 0.39328468304648 0.85801467520151 0.96774889328555 22.990 > 17 19 Na 0.10671531695352 0.10801467520151 0.53225110671445 22.990 > 19 20 Na 0.10671531695352 0.60801467520151 0.53225110671445 22.990 > 19 21 Na 0.60671531695352 0.14198532479849 0.03225110671445 22.990 > 21 22 Na 0.60671531695352 0.64198532479849 0.03225110671445 22.990 > 21 23 Na 0.89328468304648 0.39198532479849 0.46774889328554 22.990 > 23 24 Na 0.89328468304648 0.89198532479849 0.46774889328554 22.990 > 23 25 Na 0.89328468304648 0.10801467520151 0.96774889328555 22.990 > 17 26 Na 0.89328468304648 0.60801467520151 0.96774889328555 22.990 > 17 27 Na 0.60671531695352 0.35801467520151 0.53225110671445 22.990 > 19 28 Na 0.60671531695352 0.85801467520151 0.53225110671445 22.990 > 19 29 Na 0.10671531695352 0.39198532479849 0.03225110671445 22.990 > 21 30 Na 0.10671531695352 0.89198532479849 0.03225110671445 22.990 > 21 31 Na 0.39328468304648 0.14198532479849 0.46774889328554 22.990 > 23 32 Na 0.39328468304648 0.64198532479849 0.46774889328554 22.990 > 23 33 Se 0.00000000000000 0.24079045636671 0.75000000000000 78.960 > 33 34 Se 0.00000000000000 0.74079045636671 0.75000000000000 78.960 > 33 35 Se 0.00000000000000 0.25920954363329 0.25000000000000 78.960 > 35 36 Se 0.00000000000000 0.75920954363329 0.25000000000000 78.960 > 35 37 Se 0.37929734866525 0.09016795043925 0.97838141555147 78.960 > 37 38 Se 0.37929734866525 0.59016795043925 0.97838141555147 78.960 > 37 39 Se 0.12070265133475 0.34016795043925 0.52161858444853 78.960 > 39 40 Se 0.12070265133475 0.84016795043925 0.52161858444853 78.960 > 39 41 Se 0.62070265133475 0.40983204956075 0.02161858444853 78.960 > 41 42 Se 0.62070265133475 0.90983204956075 0.02161858444853 78.960 > 41 43 Se 0.87929734866525 0.15983204956075 0.47838141555147 78.960 > 43 44 Se 0.87929734866525 0.65983204956075 0.47838141555147 78.960 > 43 45 Se 0.23935406520283 0.19427629728519 0.82756892163640 78.960 > 45 46 Se 0.23935406520283 0.69427629728519 0.82756892163640 78.960 > 45 47 Se 0.26064593479717 0.44427629728519 0.67243107836360 78.960 > 47 48 Se 0.26064593479717 0.94427629728519 0.67243107836360 78.960 > 47 49 Se 0.76064593479717 0.30572370271481 0.17243107836360 78.960 > 49 50 Se 0.76064593479717 0.80572370271481 0.17243107836360 78.960 > 49 51 Se 0.73935406520283 0.05572370271481 0.32756892163640 78.960 > 51 52 Se 0.73935406520283 0.55572370271481 0.32756892163640 78.960 > 51 53 Se 0.08740034261740 0.49965629797986 0.77157479604276 78.960 > 53 54 Se 0.08740034261740 0.99965629797986 0.77157479604276 78.960 > 53 55 Se 0.91259965738260 0.49965629797986 0.72842520395724 78.960 > 55 56 Se 0.91259965738260 0.99965629797986 0.72842520395724 78.960 > 55 57 Se 0.91259965738260 0.00034370202014 0.22842520395724 78.960 > 57 58 Se 0.91259965738260 0.50034370202014 0.22842520395724 78.960 > 57 59 Se 0.08740034261740 0.00034370202014 0.27157479604276 78.960 > 59 60 Se 0.08740034261740 0.50034370202014 0.27157479604276 78.960 > 59 61 Se 0.50000000000000 0.49079045636671 0.75000000000000 78.960 > 33 62 Se 0.50000000000000 0.99079045636671 0.75000000000000 78.960 > 33 63 Se 0.50000000000000 0.00920954363329 0.25000000000000 78.960 > 35 64 Se 0.50000000000000 0.50920954363329 0.25000000000000 78.960 > 35 65 Se 0.87929734866525 0.34016795043925 0.97838141555147 78.960 > 37 66 Se 0.87929734866525 0.84016795043925 0.97838141555147 78.960 > 37 67 Se 0.62070265133475 0.09016795043925 0.52161858444853 78.960 > 39 68 Se 0.62070265133475 0.59016795043925 0.52161858444853 78.960 > 39 69 Se 0.12070265133475 0.15983204956075 0.02161858444853 78.960 > 41 70 Se 0.12070265133475 0.65983204956075 0.02161858444853 78.960 > 41 71 Se 0.37929734866525 0.40983204956075 0.47838141555147 78.960 > 43 72 Se 0.37929734866525 0.90983204956075 0.47838141555147 78.960 > 43 73 Se 0.73935406520283 0.44427629728519 0.82756892163640 78.960 > 45 74 Se 0.73935406520283 0.94427629728519 0.82756892163640 78.960 > 45 75 Se 0.76064593479717 0.19427629728519 0.67243107836360 78.960 > 47 76 Se 0.76064593479717 0.69427629728519 0.67243107836360 78.960 > 47 77 Se 0.26064593479717 0.05572370271481 0.17243107836360 78.960 > 49 78 Se 0.26064593479717 0.55572370271481 0.17243107836360 78.960 > 49 79 Se 0.23935406520283 0.30572370271481 0.32756892163640 78.960 > 51 80 Se 0.23935406520283 0.80572370271481 0.32756892163640 78.960 > 51 81 Se 0.58740034261740 0.24965629797986 0.77157479604276 78.960 > 53 82 Se 0.58740034261740 0.74965629797986 0.77157479604276 78.960 > 53 83 Se 0.41259965738260 0.24965629797986 0.72842520395724 78.960 > 55 84 Se 0.41259965738260 0.74965629797986 0.72842520395724 78.960 > 55 85 Se 0.41259965738260 0.25034370202014 0.22842520395724 78.960 > 57 86 Se 0.41259965738260 0.75034370202014 0.22842520395724 78.960 > 57 87 Se 0.58740034261740 0.25034370202014 0.27157479604276 78.960 > 59 88 Se 0.58740034261740 0.75034370202014 0.27157479604276 78.960 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3006344 0.0000000 1.3579035 0.0000000 5.1903890 0.0000000 1.3579218 0.0000000 7.7494838 -------------------------- Born effective charges -------------------------- 1 B 1.0946428 0.1227960 0.1862454 0.0467463 0.5466346 0.3987261 -0.1061549 0.2589982 1.1638572 2 B 1.0946428 -0.1227960 0.1862454 -0.0467463 0.5466346 -0.3987261 -0.1061549 -0.2589982 1.1638572 3 B 1.0946428 0.1227960 0.1862454 0.0467463 0.5466346 0.3987261 -0.1061549 0.2589982 1.1638572 4 B 1.0946428 -0.1227960 0.1862454 -0.0467463 0.5466346 -0.3987261 -0.1061549 -0.2589982 1.1638572 5 Na 1.2061795 0.0458132 0.0329709 0.0928359 1.4455912 0.0968966 -0.0583964 -0.0747063 1.4605083 6 Na 1.2061795 -0.0458132 0.0329709 -0.0928359 1.4455912 -0.0968966 -0.0583964 0.0747063 1.4605083 7 Na 1.2061795 0.0458132 0.0329709 0.0928359 1.4455912 0.0968966 -0.0583964 -0.0747063 1.4605083 8 Na 1.2061795 -0.0458132 0.0329709 -0.0928359 1.4455912 -0.0968966 -0.0583964 0.0747063 1.4605083 9 Se -0.9344264 0.0000000 -1.2252563 0.0000000 -0.6706042 0.0000000 -0.6026090 0.0000000 -2.6366247 10 Se -0.9344264 0.0000000 -1.2252563 0.0000000 -0.6706042 0.0000000 -0.6026090 0.0000000 -2.6366247 11 Se -0.9469804 -0.3910514 0.9046330 -0.1587894 -0.4470946 -0.4518414 0.5421611 -0.9732143 0.5905068 12 Se -0.9469804 0.3910514 0.9046330 0.1587894 -0.4470946 0.4518414 0.5421611 0.9732143 0.5905068 13 Se -0.9469804 -0.3910514 0.9046330 -0.1587894 -0.4470946 -0.4518414 0.5421611 -0.9732143 0.5905068 14 Se -0.9469804 0.3910514 0.9046330 0.1587894 -0.4470946 0.4518414 0.5421611 0.9732143 0.5905068 15 Se -0.6416262 -0.1810485 -0.4138079 -0.1001280 -0.5947576 -0.3557545 -0.0851216 0.2666191 -1.2007664 16 Se -0.6416262 0.1810485 -0.4138079 0.1001280 -0.5947576 0.3557545 -0.0851216 -0.2666191 -1.2007664 17 Se -0.6416262 -0.1810485 -0.4138079 -0.1001280 -0.5947576 -0.3557545 -0.0851216 0.2666191 -1.2007664 18 Se -0.6416262 0.1810485 -0.4138079 0.1001280 -0.5947576 0.3557545 -0.0851216 -0.2666191 -1.2007664 19 Se -0.2450026 0.1414878 -0.0974132 -0.0118658 -0.6150715 0.0564020 0.0088163 -0.0419352 -0.6957935 20 Se -0.2450026 -0.1414878 -0.0974132 0.0118658 -0.6150715 -0.0564020 0.0088163 0.0419352 -0.6957935 21 Se -0.2450026 0.1414878 -0.0974132 -0.0118658 -0.6150715 0.0564020 0.0088163 -0.0419352 -0.6957935 22 Se -0.2450026 -0.1414878 -0.0974132 0.0118658 -0.6150715 -0.0564020 0.0088163 0.0419352 -0.6957935 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:36:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:36:36]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.376510069221015 -3.345356975000001 0.000000000000000 b 7.376510069221015 3.345356975000001 0.000000000000000 c -5.577922001847239 0.000000000000000 10.241557736525289 Atomic positions (fractional): 1 B 0.83754158587743 0.39923036496108 0.84769411161229 10.811 2 B 0.60076963503892 0.16245841412257 0.65230588838771 10.811 3 B 0.16245841412257 0.60076963503893 0.15230588838771 10.811 4 B 0.39923036496108 0.83754158587743 0.34769411161229 10.811 5 Na 0.67725533264346 0.10931403344950 0.96774889328555 22.990 6 Na 0.89068596655049 0.32274466735654 0.53225110671445 22.990 7 Na 0.32274466735654 0.89068596655049 0.03225110671445 22.990 8 Na 0.10931403344950 0.67725533264346 0.46774889328554 22.990 9 Se 0.51841908726659 0.48158091273341 0.75000000000000 78.960 10 Se 0.48158091273341 0.51841908726659 0.25000000000000 78.960 11 Se 0.19896144778675 0.55963324954374 0.97838141555147 78.960 12 Se 0.44036675045626 0.80103855221325 0.52161858444853 78.960 13 Se 0.80103855221325 0.44036675045626 0.02161858444853 78.960 14 Se 0.55963324954374 0.19896144778675 0.47838141555147 78.960 15 Se 0.85080147063244 0.62790665977322 0.82756892163640 78.960 16 Se 0.37209334022678 0.14919852936756 0.67243107836360 78.960 17 Se 0.14919852936756 0.37209334022678 0.17243107836360 78.960 18 Se 0.62790665977322 0.85080147063244 0.32756892163640 78.960 19 Se 0.08808774665767 0.08671293857712 0.77157479604276 78.960 20 Se 0.91328706142288 0.91191225334233 0.72842520395724 78.960 21 Se 0.91191225334233 0.91328706142288 0.22842520395724 78.960 22 Se 0.08671293857712 0.08808774665767 0.27157479604276 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.753020138442031 0.000000000000000 0.000000000000000 b 0.000000000000000 13.381427900000004 0.000000000000000 c -5.577922001847239 0.000000000000000 10.241557736525289 Atomic positions (fractional): 1 B 0.11838597541925 0.14042219477091 0.84769411161229 10.811 > 1 2 B 0.11838597541925 0.64042219477091 0.84769411161229 10.811 > 1 3 B 0.88161402458075 0.14042219477091 0.65230588838771 10.811 > 3 4 B 0.88161402458075 0.64042219477091 0.65230588838771 10.811 > 3 5 B 0.88161402458075 0.35957780522909 0.15230588838771 10.811 > 5 6 B 0.88161402458075 0.85957780522909 0.15230588838771 10.811 > 5 7 B 0.11838597541925 0.35957780522909 0.34769411161229 10.811 > 7 8 B 0.11838597541925 0.85957780522909 0.34769411161229 10.811 > 7 9 B 0.61838597541925 0.39042219477091 0.84769411161229 10.811 > 1 10 B 0.61838597541925 0.89042219477091 0.84769411161229 10.811 > 1 11 B 0.38161402458075 0.39042219477091 0.65230588838771 10.811 > 3 12 B 0.38161402458075 0.89042219477091 0.65230588838771 10.811 > 3 13 B 0.38161402458075 0.10957780522909 0.15230588838771 10.811 > 5 14 B 0.38161402458075 0.60957780522909 0.15230588838771 10.811 > 5 15 B 0.61838597541925 0.10957780522909 0.34769411161229 10.811 > 7 16 B 0.61838597541925 0.60957780522909 0.34769411161229 10.811 > 7 17 Na 0.39328468304648 0.35801467520151 0.96774889328555 22.990 > 17 18 Na 0.39328468304648 0.85801467520151 0.96774889328555 22.990 > 17 19 Na 0.10671531695352 0.10801467520151 0.53225110671445 22.990 > 19 20 Na 0.10671531695352 0.60801467520151 0.53225110671445 22.990 > 19 21 Na 0.60671531695352 0.14198532479849 0.03225110671445 22.990 > 21 22 Na 0.60671531695352 0.64198532479849 0.03225110671445 22.990 > 21 23 Na 0.89328468304648 0.39198532479849 0.46774889328554 22.990 > 23 24 Na 0.89328468304648 0.89198532479849 0.46774889328554 22.990 > 23 25 Na 0.89328468304648 0.10801467520151 0.96774889328555 22.990 > 17 26 Na 0.89328468304648 0.60801467520151 0.96774889328555 22.990 > 17 27 Na 0.60671531695352 0.35801467520151 0.53225110671445 22.990 > 19 28 Na 0.60671531695352 0.85801467520151 0.53225110671445 22.990 > 19 29 Na 0.10671531695352 0.39198532479849 0.03225110671445 22.990 > 21 30 Na 0.10671531695352 0.89198532479849 0.03225110671445 22.990 > 21 31 Na 0.39328468304648 0.14198532479849 0.46774889328554 22.990 > 23 32 Na 0.39328468304648 0.64198532479849 0.46774889328554 22.990 > 23 33 Se 0.00000000000000 0.24079045636671 0.75000000000000 78.960 > 33 34 Se 0.00000000000000 0.74079045636671 0.75000000000000 78.960 > 33 35 Se 0.00000000000000 0.25920954363329 0.25000000000000 78.960 > 35 36 Se 0.00000000000000 0.75920954363329 0.25000000000000 78.960 > 35 37 Se 0.37929734866525 0.09016795043925 0.97838141555147 78.960 > 37 38 Se 0.37929734866525 0.59016795043925 0.97838141555147 78.960 > 37 39 Se 0.12070265133475 0.34016795043925 0.52161858444853 78.960 > 39 40 Se 0.12070265133475 0.84016795043925 0.52161858444853 78.960 > 39 41 Se 0.62070265133475 0.40983204956075 0.02161858444853 78.960 > 41 42 Se 0.62070265133475 0.90983204956075 0.02161858444853 78.960 > 41 43 Se 0.87929734866525 0.15983204956075 0.47838141555147 78.960 > 43 44 Se 0.87929734866525 0.65983204956075 0.47838141555147 78.960 > 43 45 Se 0.23935406520283 0.19427629728519 0.82756892163640 78.960 > 45 46 Se 0.23935406520283 0.69427629728519 0.82756892163640 78.960 > 45 47 Se 0.26064593479717 0.44427629728519 0.67243107836360 78.960 > 47 48 Se 0.26064593479717 0.94427629728519 0.67243107836360 78.960 > 47 49 Se 0.76064593479717 0.30572370271481 0.17243107836360 78.960 > 49 50 Se 0.76064593479717 0.80572370271481 0.17243107836360 78.960 > 49 51 Se 0.73935406520283 0.05572370271481 0.32756892163640 78.960 > 51 52 Se 0.73935406520283 0.55572370271481 0.32756892163640 78.960 > 51 53 Se 0.08740034261740 0.49965629797986 0.77157479604276 78.960 > 53 54 Se 0.08740034261740 0.99965629797986 0.77157479604276 78.960 > 53 55 Se 0.91259965738260 0.49965629797986 0.72842520395724 78.960 > 55 56 Se 0.91259965738260 0.99965629797986 0.72842520395724 78.960 > 55 57 Se 0.91259965738260 0.00034370202014 0.22842520395724 78.960 > 57 58 Se 0.91259965738260 0.50034370202014 0.22842520395724 78.960 > 57 59 Se 0.08740034261740 0.00034370202014 0.27157479604276 78.960 > 59 60 Se 0.08740034261740 0.50034370202014 0.27157479604276 78.960 > 59 61 Se 0.50000000000000 0.49079045636671 0.75000000000000 78.960 > 33 62 Se 0.50000000000000 0.99079045636671 0.75000000000000 78.960 > 33 63 Se 0.50000000000000 0.00920954363329 0.25000000000000 78.960 > 35 64 Se 0.50000000000000 0.50920954363329 0.25000000000000 78.960 > 35 65 Se 0.87929734866525 0.34016795043925 0.97838141555147 78.960 > 37 66 Se 0.87929734866525 0.84016795043925 0.97838141555147 78.960 > 37 67 Se 0.62070265133475 0.09016795043925 0.52161858444853 78.960 > 39 68 Se 0.62070265133475 0.59016795043925 0.52161858444853 78.960 > 39 69 Se 0.12070265133475 0.15983204956075 0.02161858444853 78.960 > 41 70 Se 0.12070265133475 0.65983204956075 0.02161858444853 78.960 > 41 71 Se 0.37929734866525 0.40983204956075 0.47838141555147 78.960 > 43 72 Se 0.37929734866525 0.90983204956075 0.47838141555147 78.960 > 43 73 Se 0.73935406520283 0.44427629728519 0.82756892163640 78.960 > 45 74 Se 0.73935406520283 0.94427629728519 0.82756892163640 78.960 > 45 75 Se 0.76064593479717 0.19427629728519 0.67243107836360 78.960 > 47 76 Se 0.76064593479717 0.69427629728519 0.67243107836360 78.960 > 47 77 Se 0.26064593479717 0.05572370271481 0.17243107836360 78.960 > 49 78 Se 0.26064593479717 0.55572370271481 0.17243107836360 78.960 > 49 79 Se 0.23935406520283 0.30572370271481 0.32756892163640 78.960 > 51 80 Se 0.23935406520283 0.80572370271481 0.32756892163640 78.960 > 51 81 Se 0.58740034261740 0.24965629797986 0.77157479604276 78.960 > 53 82 Se 0.58740034261740 0.74965629797986 0.77157479604276 78.960 > 53 83 Se 0.41259965738260 0.24965629797986 0.72842520395724 78.960 > 55 84 Se 0.41259965738260 0.74965629797986 0.72842520395724 78.960 > 55 85 Se 0.41259965738260 0.25034370202014 0.22842520395724 78.960 > 57 86 Se 0.41259965738260 0.75034370202014 0.22842520395724 78.960 > 57 87 Se 0.58740034261740 0.25034370202014 0.27157479604276 78.960 > 59 88 Se 0.58740034261740 0.75034370202014 0.27157479604276 78.960 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.3006344 0.0000000 1.3579035 0.0000000 5.1903890 0.0000000 1.3579218 0.0000000 7.7494838 -------------------------- Born effective charges -------------------------- 1 B 1.0946428 0.1227960 0.1862454 0.0467463 0.5466346 0.3987261 -0.1061549 0.2589982 1.1638572 2 B 1.0946428 -0.1227960 0.1862454 -0.0467463 0.5466346 -0.3987261 -0.1061549 -0.2589982 1.1638572 3 B 1.0946428 0.1227960 0.1862454 0.0467463 0.5466346 0.3987261 -0.1061549 0.2589982 1.1638572 4 B 1.0946428 -0.1227960 0.1862454 -0.0467463 0.5466346 -0.3987261 -0.1061549 -0.2589982 1.1638572 5 Na 1.2061795 0.0458132 0.0329709 0.0928359 1.4455912 0.0968966 -0.0583964 -0.0747063 1.4605083 6 Na 1.2061795 -0.0458132 0.0329709 -0.0928359 1.4455912 -0.0968966 -0.0583964 0.0747063 1.4605083 7 Na 1.2061795 0.0458132 0.0329709 0.0928359 1.4455912 0.0968966 -0.0583964 -0.0747063 1.4605083 8 Na 1.2061795 -0.0458132 0.0329709 -0.0928359 1.4455912 -0.0968966 -0.0583964 0.0747063 1.4605083 9 Se -0.9344264 0.0000000 -1.2252563 0.0000000 -0.6706042 0.0000000 -0.6026090 0.0000000 -2.6366247 10 Se -0.9344264 0.0000000 -1.2252563 0.0000000 -0.6706042 0.0000000 -0.6026090 0.0000000 -2.6366247 11 Se -0.9469804 -0.3910514 0.9046330 -0.1587894 -0.4470946 -0.4518414 0.5421611 -0.9732143 0.5905068 12 Se -0.9469804 0.3910514 0.9046330 0.1587894 -0.4470946 0.4518414 0.5421611 0.9732143 0.5905068 13 Se -0.9469804 -0.3910514 0.9046330 -0.1587894 -0.4470946 -0.4518414 0.5421611 -0.9732143 0.5905068 14 Se -0.9469804 0.3910514 0.9046330 0.1587894 -0.4470946 0.4518414 0.5421611 0.9732143 0.5905068 15 Se -0.6416262 -0.1810485 -0.4138079 -0.1001280 -0.5947576 -0.3557545 -0.0851216 0.2666191 -1.2007664 16 Se -0.6416262 0.1810485 -0.4138079 0.1001280 -0.5947576 0.3557545 -0.0851216 -0.2666191 -1.2007664 17 Se -0.6416262 -0.1810485 -0.4138079 -0.1001280 -0.5947576 -0.3557545 -0.0851216 0.2666191 -1.2007664 18 Se -0.6416262 0.1810485 -0.4138079 0.1001280 -0.5947576 0.3557545 -0.0851216 -0.2666191 -1.2007664 19 Se -0.2450026 0.1414878 -0.0974132 -0.0118658 -0.6150715 0.0564020 0.0088163 -0.0419352 -0.6957935 20 Se -0.2450026 -0.1414878 -0.0974132 0.0118658 -0.6150715 -0.0564020 0.0088163 0.0419352 -0.6957935 21 Se -0.2450026 0.1414878 -0.0974132 -0.0118658 -0.6150715 0.0564020 0.0088163 -0.0419352 -0.6957935 22 Se -0.2450026 -0.1414878 -0.0974132 0.0118658 -0.6150715 -0.0564020 0.0088163 0.0419352 -0.6957935 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 303, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 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 1.092 ( 0.000 0.000 0.000) 0.000 1.407 ( 0.000 0.000 0.000) 0.000 1.445 ( 0.000 0.000 0.000) 0.000 1.547 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.844 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.911 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.144 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.406 ( 0.000 0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.776 ( 0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.314 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.418 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.563 ( 0.000 0.000 0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 5.032 ( 0.000 0.000 0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 6.019 ( 0.000 0.000 0.000) 0.000 6.605 ( 0.000 0.000 0.000) 0.000 6.709 ( 0.000 0.000 0.000) 0.000 6.795 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.294 ( 0.000 0.000 0.000) 0.000 7.454 ( 0.000 0.000 0.000) 0.000 7.553 ( 0.000 0.000 0.000) 0.000 8.058 ( 0.000 0.000 0.000) 0.000 8.063 ( 0.000 0.000 0.000) 0.000 16.393 ( 0.000 0.000 0.000) 0.000 16.398 ( 0.000 0.000 0.000) 0.000 17.191 ( 0.000 0.000 0.000) 0.000 17.291 ( 0.000 0.000 0.000) 0.000 17.990 ( 0.000 0.000 0.000) 0.000 18.044 ( 0.000 0.000 0.000) 0.000 18.961 ( 0.000 0.000 0.000) 0.000 19.252 ( 0.000 0.000 0.000) 0.000 19.358 ( 0.000 0.000 0.000) 0.000 19.493 ( 0.000 0.000 0.000) 0.000 20.106 ( 0.000 0.000 0.000) 0.000 20.543 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 11.092 -10.261 5.550) 16.097 0.403 ( 15.958 -11.703 8.492) 21.535 0.575 ( 15.861 -19.406 8.746) 26.545 1.091 ( 4.802 1.995 1.434) 5.394 1.371 ( 2.354 5.294 4.063) 7.076 1.413 ( -4.507 -3.357 -7.980) 9.761 1.648 ( 1.688 -0.661 4.667) 5.006 1.713 ( -2.989 2.461 -0.665) 3.929 1.800 ( -2.420 3.652 -4.490) 6.273 1.833 ( -1.184 2.779 1.928) 3.584 1.960 ( -4.599 2.317 -1.360) 5.327 2.035 ( 8.204 0.977 2.419) 8.608 2.147 ( 1.176 0.699 -0.344) 1.411 2.228 ( 0.163 -2.438 -1.108) 2.683 2.301 ( 6.531 -1.225 0.918) 6.708 2.393 ( -1.674 -2.263 2.702) 3.902 2.520 ( -1.851 -3.476 0.590) 3.982 2.638 ( 4.059 -2.568 2.528) 5.428 2.665 ( -1.451 3.144 -1.714) 3.863 2.791 ( -6.234 -1.931 -5.897) 8.796 2.824 ( -2.760 -3.346 -2.766) 5.144 3.011 ( 0.847 -0.459 -1.010) 1.396 3.134 ( -2.904 1.834 0.022) 3.435 3.162 ( -2.368 0.896 -4.739) 5.373 3.246 ( 0.259 -0.498 0.148) 0.581 3.377 ( 1.874 0.045 -4.316) 4.705 3.401 ( -2.452 -1.628 -3.980) 4.950 3.467 ( 0.827 -2.590 1.069) 2.922 3.543 ( 1.886 2.570 1.089) 3.369 3.624 ( 5.694 -0.697 4.789) 7.473 3.744 ( 0.288 2.697 4.719) 5.443 3.829 ( -1.298 -1.801 -0.386) 2.253 4.246 ( -3.672 -0.348 2.047) 4.219 4.295 ( -3.776 4.445 0.715) 5.876 4.369 ( 4.904 1.976 0.778) 5.344 4.411 ( 2.987 1.288 1.929) 3.782 4.631 ( -1.876 -7.088 -1.548) 7.493 4.779 ( -9.126 -3.258 -5.134) 10.966 4.805 ( -1.354 0.238 2.620) 2.959 5.044 ( -1.633 -2.260 -1.208) 3.038 5.245 ( 0.815 -0.163 1.515) 1.729 5.446 ( -1.863 -0.113 -2.026) 2.755 5.791 ( 0.073 0.767 0.389) 0.863 6.013 ( -1.457 -0.010 -1.228) 1.906 6.614 ( -0.152 -0.877 0.207) 0.913 6.696 ( -1.200 0.490 -0.277) 1.326 6.828 ( 3.523 0.800 3.037) 4.720 6.989 ( -0.542 0.462 -1.099) 1.309 7.226 ( 0.351 0.081 0.504) 0.619 7.305 ( 0.233 1.251 3.037) 3.293 7.454 ( 0.387 0.234 0.523) 0.691 7.548 ( -0.406 0.265 -0.389) 0.622 8.056 ( 0.202 0.242 0.050) 0.319 8.061 ( 0.129 0.292 -0.056) 0.324 16.402 ( 0.026 -0.877 0.331) 0.938 16.447 ( 2.903 2.157 5.910) 6.929 17.177 ( 0.400 1.685 -0.053) 1.733 17.285 ( -0.006 1.459 -0.252) 1.480 18.014 ( 1.720 -0.665 -0.216) 1.857 18.055 ( 0.849 -0.667 0.180) 1.095 18.970 ( 1.084 -0.142 1.175) 1.605 19.247 ( -4.218 0.423 -2.914) 5.145 19.388 ( 2.845 -0.799 1.837) 3.479 19.507 ( 2.056 -0.634 -2.386) 3.213 20.112 ( -0.124 -0.348 1.574) 1.617 20.535 ( -3.912 0.902 -2.344) 4.649 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 10.095 -10.293 5.196) 15.325 0.776 ( 14.556 -9.934 8.644) 19.628 1.031 ( 11.097 -12.161 5.404) 17.328 1.138 ( 7.983 -0.047 4.278) 9.057 1.306 ( 2.775 5.492 5.096) 7.990 1.423 ( -1.308 -3.308 -7.214) 8.043 1.516 ( -6.467 3.470 -3.780) 8.256 1.654 ( -5.414 3.810 -5.705) 8.739 1.761 ( -3.179 1.432 1.525) 3.806 1.811 ( -1.866 0.386 2.628) 3.246 1.922 ( 4.043 -0.417 7.386) 8.431 2.062 ( 5.492 3.424 0.167) 6.474 2.138 ( 1.122 -0.021 -2.920) 3.129 2.274 ( -0.833 -3.242 0.018) 3.348 2.361 ( 1.732 -0.136 1.137) 2.076 2.468 ( -3.288 -3.382 0.665) 4.763 2.520 ( -3.351 -1.091 0.080) 3.525 2.601 ( 0.684 1.417 -2.100) 2.624 2.697 ( -7.711 -0.144 -8.452) 11.442 2.764 ( 4.268 -3.638 1.478) 5.800 2.852 ( -3.646 -3.593 -1.722) 5.401 2.991 ( 0.087 1.905 -2.275) 2.969 3.091 ( -2.878 0.225 -3.320) 4.400 3.117 ( 0.624 2.178 2.595) 3.444 3.267 ( 3.290 -0.614 -1.370) 3.616 3.356 ( 1.966 1.306 -5.669) 6.140 3.414 ( 1.134 -0.409 0.946) 1.533 3.514 ( 1.761 1.392 2.112) 3.083 3.554 ( 2.204 -3.879 0.339) 4.475 3.689 ( 3.842 -0.066 1.265) 4.045 3.725 ( 0.892 1.989 3.896) 4.464 3.853 ( -0.696 -2.052 -0.056) 2.167 4.162 ( -5.556 4.919 1.381) 7.548 4.222 ( -3.041 0.729 1.614) 3.519 4.410 ( 5.408 -0.633 2.071) 5.825 4.436 ( 2.974 0.274 2.390) 3.825 4.652 ( -10.593 -0.772 -4.865) 11.682 4.761 ( -1.496 -1.876 -1.763) 2.978 4.832 ( 3.773 -1.167 4.520) 6.003 5.069 ( -2.827 -3.011 -2.691) 4.930 5.268 ( 1.731 -0.025 2.929) 3.402 5.418 ( -2.741 -0.451 -3.002) 4.090 5.782 ( 1.464 1.186 1.898) 2.674 5.982 ( -2.969 0.240 -3.277) 4.428 6.633 ( -0.300 -1.167 0.213) 1.223 6.678 ( -0.822 0.423 0.051) 0.926 6.859 ( 3.206 0.468 2.567) 4.134 6.965 ( -1.024 0.556 -1.870) 2.204 7.232 ( 0.635 0.110 0.831) 1.052 7.295 ( -0.265 0.693 0.678) 1.006 7.457 ( 0.724 0.322 0.969) 1.252 7.534 ( -0.781 0.435 -0.813) 1.209 8.053 ( 0.284 0.346 0.047) 0.450 8.055 ( 0.204 0.399 -0.051) 0.451 16.426 ( 0.067 -1.290 0.440) 1.365 16.461 ( 0.851 0.106 1.987) 2.165 17.140 ( 0.539 2.379 -0.088) 2.441 17.247 ( 0.421 2.437 -0.128) 2.477 18.046 ( 0.715 -1.585 -0.491) 1.807 18.082 ( 1.366 -0.991 0.357) 1.725 18.993 ( 1.858 -0.225 1.932) 2.690 19.183 ( -3.396 1.233 -2.906) 4.636 19.442 ( 3.209 -1.060 2.265) 4.069 19.530 ( 1.015 -1.278 -1.841) 2.461 20.130 ( 0.209 -0.454 2.669) 2.716 20.454 ( -5.012 2.166 -2.949) 6.205 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 7.818 -8.760 4.018) 12.410 1.081 ( 8.203 -7.678 3.465) 11.758 1.172 ( 5.295 4.420 5.480) 8.809 1.247 ( 5.765 -0.089 7.232) 9.249 1.326 ( -0.418 -3.999 -0.095) 4.022 1.423 ( 0.917 -0.214 -6.704) 6.770 1.442 ( 0.507 0.736 0.103) 0.900 1.526 ( -4.600 0.985 -5.324) 7.105 1.687 ( -6.492 2.154 1.875) 7.093 1.819 ( 0.452 -0.799 2.273) 2.452 2.003 ( 5.651 3.920 6.988) 9.805 2.031 ( 3.832 0.867 0.921) 4.035 2.155 ( 0.602 -2.414 -4.592) 5.223 2.289 ( -8.313 -2.385 -4.691) 9.839 2.333 ( 0.614 3.976 0.435) 4.047 2.430 ( -3.655 -1.272 -1.882) 4.303 2.552 ( -3.129 -1.132 -3.618) 4.915 2.604 ( -0.223 -2.425 3.029) 3.887 2.643 ( -0.683 -1.416 -1.478) 2.158 2.845 ( 3.957 0.815 -1.058) 4.176 2.884 ( -2.868 -3.502 -0.028) 4.527 2.951 ( 1.631 1.084 -0.884) 2.148 3.038 ( -4.156 0.589 -2.598) 4.937 3.096 ( 0.691 1.875 1.539) 2.522 3.285 ( 3.567 1.999 -0.267) 4.097 3.330 ( 2.155 0.408 -3.862) 4.441 3.442 ( 2.222 -0.620 1.609) 2.813 3.516 ( -0.676 -0.444 -0.384) 0.895 3.647 ( 0.502 -2.828 -0.441) 2.906 3.706 ( 0.617 1.225 3.165) 3.450 3.733 ( 3.012 -1.252 0.660) 3.329 3.900 ( 1.514 -2.314 0.753) 2.866 4.036 ( -4.310 4.483 1.447) 6.385 4.202 ( -0.829 0.324 1.304) 1.579 4.447 ( 0.763 1.109 0.714) 1.524 4.495 ( 3.132 -1.503 2.035) 4.026 4.538 ( -5.905 0.871 -2.085) 6.323 4.743 ( -2.005 0.786 -2.065) 2.983 4.930 ( 3.453 -2.626 3.563) 5.614 5.074 ( -3.252 -1.756 -3.494) 5.086 5.299 ( 1.952 0.087 3.018) 3.595 5.393 ( -2.325 -0.650 -2.627) 3.568 5.798 ( 3.124 0.400 3.588) 4.775 5.924 ( -4.211 0.684 -4.559) 6.244 6.650 ( -0.363 -0.898 0.026) 0.968 6.668 ( -0.149 0.318 0.320) 0.475 6.886 ( 2.616 0.512 2.372) 3.568 6.937 ( -1.477 0.179 -2.203) 2.658 7.240 ( 0.655 0.040 0.793) 1.029 7.283 ( -0.429 0.397 -0.157) 0.605 7.464 ( 0.863 0.191 1.129) 1.434 7.514 ( -0.922 0.379 -1.040) 1.441 8.049 ( 0.151 0.268 -0.052) 0.312 8.051 ( 0.203 0.249 0.050) 0.325 16.451 ( 0.112 -1.060 0.324) 1.114 16.472 ( 0.147 -0.123 0.586) 0.617 17.104 ( 0.363 1.673 -0.073) 1.714 17.208 ( 0.359 1.853 -0.054) 1.889 18.074 ( 0.248 -1.095 -0.386) 1.187 18.112 ( 1.029 -0.792 0.280) 1.329 19.025 ( 2.168 -0.304 2.140) 3.061 19.123 ( -2.702 1.041 -2.561) 3.866 19.497 ( 2.754 -0.840 2.424) 3.763 19.548 ( -0.133 -1.007 -2.044) 2.282 20.158 ( 1.158 -0.478 2.861) 3.123 20.357 ( -4.604 1.932 -2.975) 5.811 ======================= Grid point 4 (5/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -0.000 0.000 -0.000) 0.000 1.139 ( 0.000 0.000 0.000) 0.000 1.156 ( -0.000 -0.000 0.000) 0.000 1.309 ( 0.000 -0.000 0.000) 0.000 1.370 ( -0.000 -0.000 -0.000) 0.000 1.410 ( 0.000 -0.000 0.000) 0.000 1.438 ( -0.000 -0.000 -0.000) 0.000 1.507 ( 0.000 -0.000 -0.000) 0.000 1.620 ( 0.000 -0.000 0.000) 0.000 1.837 ( 0.000 -0.000 -0.000) 0.000 1.978 ( 0.000 -0.000 -0.000) 0.000 2.094 ( 0.000 -0.000 0.000) 0.000 2.141 ( -0.000 -0.000 -0.000) 0.000 2.269 ( -0.000 -0.000 -0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 -0.000 -0.000) 0.000 2.547 ( 0.000 -0.000 -0.000) 0.000 2.613 ( 0.000 -0.000 0.000) 0.000 2.694 ( -0.000 0.000 -0.000) 0.000 2.815 ( 0.000 -0.000 0.000) 0.000 2.911 ( -0.000 -0.000 -0.000) 0.000 2.965 ( -0.000 -0.000 -0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 -0.000 -0.000) 0.000 3.274 ( -0.000 -0.000 0.000) 0.000 3.329 ( 0.000 -0.000 -0.000) 0.000 3.473 ( 0.000 -0.000 -0.000) 0.000 3.510 ( 0.000 -0.000 -0.000) 0.000 3.663 ( 0.000 -0.000 -0.000) 0.000 3.700 ( -0.000 -0.000 0.000) 0.000 3.786 ( -0.000 -0.000 -0.000) 0.000 3.939 ( 0.000 -0.000 -0.000) 0.000 3.967 ( -0.000 0.000 0.000) 0.000 4.200 ( 0.000 -0.000 -0.000) 0.000 4.417 ( 0.000 -0.000 0.000) 0.000 4.491 ( -0.000 -0.000 -0.000) 0.000 4.562 ( 0.000 -0.000 -0.000) 0.000 4.709 ( -0.000 -0.000 -0.000) 0.000 4.988 ( 0.000 -0.000 0.000) 0.000 5.060 ( 0.000 -0.000 -0.000) 0.000 5.315 ( 0.000 -0.000 0.000) 0.000 5.383 ( -0.000 -0.000 -0.000) 0.000 5.852 ( 0.000 -0.000 0.000) 0.000 5.852 ( -0.000 0.000 -0.000) 0.000 6.658 ( -0.000 -0.000 -0.000) 0.000 6.665 ( 0.000 0.000 0.000) 0.000 6.903 ( -0.000 -0.000 -0.000) 0.000 6.919 ( 0.000 -0.000 -0.000) 0.000 7.245 ( -0.000 -0.000 -0.000) 0.000 7.276 ( 0.000 -0.000 0.000) 0.000 7.471 ( -0.000 -0.000 -0.000) 0.000 7.501 ( 0.000 -0.000 0.000) 0.000 8.047 ( 0.000 -0.000 -0.000) 0.000 8.049 ( 0.000 -0.000 0.000) 0.000 16.465 ( 0.000 -0.000 0.000) 0.000 16.474 ( 0.000 -0.000 0.000) 0.000 17.089 ( 0.000 -0.000 -0.000) 0.000 17.191 ( 0.000 -0.000 0.000) 0.000 18.084 ( -0.000 -0.000 -0.000) 0.000 18.125 ( 0.000 -0.000 0.000) 0.000 19.052 ( 0.000 -0.000 -0.000) 0.000 19.086 ( 0.000 -0.000 -0.000) 0.000 19.530 ( 0.000 -0.000 0.000) 0.000 19.546 ( -0.000 -0.000 -0.000) 0.000 20.181 ( 0.000 -0.000 0.000) 0.000 20.303 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/93) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.231 ( 12.558 -0.000 3.227) 12.966 0.385 ( 16.616 -0.000 9.535) 19.157 0.809 ( 34.709 -0.000 19.564) 39.843 1.180 ( 8.936 -0.000 0.693) 8.963 1.290 ( -3.582 0.000 -8.748) 9.453 1.448 ( 1.358 -0.000 5.740) 5.899 1.636 ( -11.911 0.000 -4.334) 12.675 1.790 ( 0.104 -0.000 2.008) 2.011 1.792 ( 4.993 -0.000 4.503) 6.724 1.796 ( -6.004 0.000 -8.097) 10.080 2.059 ( 2.322 -0.000 0.109) 2.324 2.076 ( -2.094 0.000 -2.395) 3.182 2.191 ( 4.455 -0.000 -1.926) 4.854 2.204 ( 1.535 -0.000 -1.354) 2.047 2.290 ( 1.016 -0.000 2.506) 2.704 2.407 ( -0.298 0.000 1.047) 1.088 2.453 ( -0.952 0.000 3.098) 3.241 2.652 ( -3.532 0.000 -2.852) 4.540 2.660 ( 3.076 -0.000 3.433) 4.609 2.670 ( -4.275 0.000 -8.945) 9.914 2.773 ( -0.178 0.000 0.820) 0.839 2.971 ( -2.189 0.000 -4.533) 5.034 3.100 ( -0.658 0.000 0.131) 0.671 3.105 ( -4.550 0.000 -2.319) 5.107 3.276 ( 3.804 -0.000 1.752) 4.188 3.376 ( 6.525 -0.000 0.113) 6.526 3.380 ( 3.173 -0.000 -5.448) 6.304 3.454 ( 0.901 -0.000 0.200) 0.923 3.635 ( 6.345 -0.000 2.799) 6.935 3.665 ( 2.714 -0.000 1.495) 3.099 3.791 ( -1.688 0.000 1.953) 2.582 3.806 ( -1.127 0.000 5.206) 5.327 4.222 ( -4.076 0.000 1.735) 4.429 4.335 ( -4.506 0.000 0.818) 4.580 4.392 ( -4.796 0.000 -0.398) 4.813 4.405 ( -2.143 0.000 -0.247) 2.157 4.580 ( -0.132 0.000 3.073) 3.076 4.602 ( 2.974 -0.000 0.737) 3.064 4.860 ( 3.947 -0.000 4.404) 5.914 4.991 ( -3.463 0.000 -2.563) 4.308 5.250 ( 0.709 -0.000 2.615) 2.709 5.411 ( -3.647 0.000 -3.178) 4.837 5.809 ( 1.371 -0.000 1.868) 2.317 5.988 ( -2.646 0.000 -2.380) 3.558 6.605 ( -0.254 0.000 0.559) 0.614 6.687 ( -1.759 0.000 -0.268) 1.780 6.883 ( 2.846 -0.000 2.345) 3.688 6.979 ( -1.071 0.000 -2.238) 2.481 7.235 ( 0.719 -0.000 1.004) 1.235 7.334 ( -2.660 0.000 2.955) 3.976 7.466 ( 0.793 -0.000 0.943) 1.232 7.543 ( -0.797 0.000 -0.720) 1.074 8.062 ( 0.436 -0.000 0.118) 0.452 8.065 ( 0.258 -0.000 -0.118) 0.284 16.394 ( -0.138 0.000 0.437) 0.458 16.523 ( -3.757 0.000 3.704) 5.276 17.202 ( 0.936 -0.000 0.394) 1.016 17.297 ( 0.816 -0.000 -0.110) 0.824 18.025 ( 0.951 -0.000 -1.707) 1.955 18.057 ( 1.353 -0.000 0.250) 1.376 18.991 ( 2.187 -0.000 2.345) 3.206 19.194 ( -3.236 0.000 -3.074) 4.464 19.420 ( 4.142 -0.000 2.394) 4.784 19.508 ( 2.414 -0.000 -4.208) 4.851 20.118 ( -0.242 0.000 2.958) 2.968 20.482 ( -5.385 0.000 -2.780) 6.060 ======================= Grid point 11 (7/93) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 9.502 -13.433 -0.679) 16.469 0.633 ( 10.727 -7.995 10.044) 16.730 1.166 ( 19.804 -1.045 7.931) 21.358 1.239 ( 13.857 -0.004 4.375) 14.531 1.316 ( 4.084 -3.876 -4.663) 7.311 1.443 ( -6.791 4.477 0.027) 8.134 1.493 ( -2.890 0.725 2.600) 3.954 1.649 ( -5.778 3.469 -8.560) 10.894 1.796 ( -0.764 1.619 1.580) 2.387 1.814 ( -1.197 3.579 -0.622) 3.825 1.969 ( 0.950 -0.171 3.099) 3.246 2.124 ( 3.750 1.972 4.355) 6.076 2.166 ( 1.620 0.809 -3.205) 3.682 2.246 ( -0.219 -2.631 2.197) 3.434 2.344 ( -0.034 2.584 -2.778) 3.794 2.397 ( -0.045 -5.152 0.794) 5.213 2.509 ( -6.464 1.402 -5.444) 8.566 2.568 ( -1.104 -5.071 -0.530) 5.217 2.593 ( -3.907 2.349 -3.418) 5.697 2.755 ( 0.148 -3.938 2.189) 4.507 2.781 ( 1.696 0.114 3.024) 3.468 2.972 ( -0.043 -1.986 -3.631) 4.139 3.063 ( -0.964 0.643 -3.305) 3.502 3.123 ( 0.059 -1.497 0.950) 1.774 3.312 ( 4.986 1.389 1.419) 5.367 3.373 ( 3.741 0.422 -5.059) 6.306 3.423 ( 3.214 0.588 0.354) 3.286 3.514 ( 3.865 -3.103 -0.015) 4.957 3.616 ( 2.112 3.716 0.779) 4.345 3.709 ( 3.775 -0.154 -1.479) 4.058 3.787 ( 0.660 1.689 4.227) 4.600 3.828 ( 0.005 -0.992 3.186) 3.337 4.200 ( -4.284 -0.420 2.270) 4.866 4.217 ( -5.126 4.965 1.745) 7.347 4.404 ( -2.652 -3.259 0.406) 4.221 4.444 ( -4.878 -4.287 -1.961) 6.784 4.534 ( 0.117 2.260 1.610) 2.777 4.693 ( 0.590 -3.315 -0.855) 3.474 4.890 ( 1.977 1.168 3.388) 4.093 4.972 ( -3.607 -2.631 -3.009) 5.384 5.286 ( 1.691 -0.759 3.471) 3.935 5.362 ( -4.226 -0.557 -4.057) 5.884 5.828 ( 2.227 0.706 2.897) 3.721 5.946 ( -3.389 0.378 -3.430) 4.837 6.613 ( -0.281 -0.748 0.763) 1.104 6.672 ( -1.305 -0.019 -0.031) 1.305 6.912 ( 3.231 0.692 2.332) 4.044 6.951 ( -1.588 0.324 -3.063) 3.466 7.247 ( 0.960 0.149 1.298) 1.621 7.312 ( -1.283 1.020 1.040) 1.942 7.475 ( 0.982 0.282 1.177) 1.559 7.528 ( -1.116 0.278 -1.031) 1.545 8.063 ( 0.422 0.338 -0.026) 0.541 8.065 ( 0.447 0.288 0.022) 0.533 16.404 ( -0.222 -0.977 0.404) 1.080 16.489 ( -1.294 1.304 1.649) 2.469 17.192 ( 1.136 2.054 0.300) 2.367 17.291 ( 0.918 1.524 -0.128) 1.784 18.030 ( 0.986 -0.586 -1.029) 1.541 18.080 ( 1.764 -0.756 0.335) 1.948 19.024 ( 2.796 0.142 2.991) 4.096 19.151 ( -3.400 0.230 -3.291) 4.737 19.471 ( 4.201 -0.347 2.511) 4.906 19.514 ( 1.630 -0.558 -2.789) 3.278 20.136 ( -0.155 -0.442 3.748) 3.777 20.409 ( -7.244 0.514 -3.856) 8.222 ======================= Grid point 12 (8/93) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 8.533 -10.156 -1.400) 13.338 0.905 ( 1.875 -9.788 5.427) 11.348 1.256 ( -2.397 -1.831 -7.440) 8.028 1.303 ( 1.967 0.281 0.745) 2.122 1.373 ( 6.796 2.582 1.065) 7.348 1.420 ( 4.329 0.436 1.935) 4.762 1.464 ( -1.725 3.345 0.340) 3.779 1.552 ( 6.344 2.794 0.052) 6.932 1.713 ( -1.299 3.977 1.867) 4.581 1.807 ( 0.697 -2.354 2.358) 3.404 2.035 ( -7.821 2.140 -5.566) 9.835 2.040 ( -1.430 -3.769 -2.969) 5.007 2.175 ( 1.803 1.648 1.707) 2.980 2.259 ( 4.600 3.899 5.006) 7.837 2.339 ( -0.766 -4.270 -2.545) 5.030 2.425 ( -1.330 3.333 -0.599) 3.638 2.449 ( -2.297 -2.032 1.296) 3.329 2.572 ( 0.351 -2.843 -0.366) 2.888 2.645 ( 2.473 -2.371 2.566) 4.280 2.782 ( -2.914 -2.220 1.663) 4.023 2.857 ( 0.647 -2.102 1.626) 2.736 2.985 ( 2.399 0.851 -1.642) 3.029 3.019 ( -0.402 1.449 -2.607) 3.009 3.143 ( 0.611 0.821 1.548) 1.856 3.315 ( 1.036 0.354 -2.249) 2.501 3.372 ( 4.151 2.054 -3.647) 5.895 3.448 ( 3.609 -0.286 1.000) 3.756 3.520 ( -2.336 0.679 -2.428) 3.437 3.651 ( 6.336 -0.336 3.817) 7.404 3.737 ( 4.333 -0.298 -0.074) 4.344 3.770 ( 1.027 2.361 1.629) 3.046 3.865 ( -0.081 -2.187 0.946) 2.384 4.093 ( -4.338 4.640 1.491) 6.525 4.199 ( -2.120 -0.713 2.894) 3.657 4.418 ( -7.731 -1.078 -3.455) 8.537 4.444 ( -3.980 -3.003 -0.743) 5.041 4.539 ( 3.771 0.171 3.557) 5.187 4.713 ( -2.152 -0.356 -2.499) 3.317 4.919 ( 0.025 -2.412 0.342) 2.436 4.992 ( -0.941 -2.717 -1.107) 3.081 5.304 ( -2.472 -0.778 -2.397) 3.530 5.353 ( 0.635 -1.107 1.787) 2.196 5.855 ( 3.472 0.550 4.153) 5.441 5.885 ( -3.929 0.937 -3.886) 5.605 6.631 ( -0.303 -0.909 0.621) 1.141 6.667 ( -0.603 -0.221 0.214) 0.677 6.912 ( -1.752 0.388 -3.059) 3.547 6.936 ( 2.449 0.749 1.764) 3.110 7.256 ( 0.869 0.383 1.230) 1.554 7.289 ( -0.653 0.733 0.081) 0.985 7.482 ( 0.634 0.446 0.809) 1.121 7.508 ( -0.879 0.297 -0.828) 1.243 8.058 ( 0.289 0.478 -0.119) 0.571 8.062 ( 0.468 0.499 0.112) 0.693 16.427 ( -0.205 -1.445 0.208) 1.475 16.475 ( -0.586 0.137 0.504) 0.785 17.154 ( 0.922 2.833 0.149) 2.983 17.257 ( 0.812 2.639 -0.038) 2.761 18.051 ( 0.609 -1.226 -0.801) 1.586 18.112 ( 1.653 -0.732 0.465) 1.866 19.058 ( 2.627 0.331 2.810) 3.861 19.102 ( -2.694 0.554 -2.728) 3.874 19.516 ( 1.429 -0.509 -0.486) 1.593 19.533 ( 2.851 -0.499 0.735) 2.986 20.163 ( -0.138 -0.691 2.989) 3.071 20.319 ( -6.310 0.517 -3.276) 7.129 ======================= Grid point 13 (9/93) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -3.160 -6.010 -8.209) 10.653 1.027 ( -0.462 -4.131 1.384) 4.381 1.212 ( -6.492 -0.525 -2.746) 7.068 1.284 ( 1.523 6.968 -1.203) 7.233 1.341 ( -1.127 -2.084 -6.157) 6.597 1.417 ( 2.349 -0.532 -0.382) 2.439 1.469 ( 3.732 1.718 4.563) 6.140 1.569 ( 2.903 1.070 1.831) 3.595 1.675 ( 5.529 1.845 1.555) 6.032 1.860 ( 1.940 0.973 1.520) 2.650 1.894 ( -7.573 -0.806 -8.780) 11.623 2.051 ( -4.558 0.901 -0.269) 4.655 2.169 ( -2.421 -3.633 -1.912) 4.766 2.287 ( 2.468 4.721 7.453) 9.161 2.363 ( 4.129 -0.645 4.656) 6.256 2.414 ( 5.849 -0.457 -1.077) 5.965 2.514 ( -0.579 -3.461 4.060) 5.366 2.619 ( 2.169 -1.016 1.196) 2.677 2.705 ( 2.718 0.431 2.306) 3.590 2.829 ( -4.823 -0.592 1.111) 4.985 2.842 ( -1.469 -2.444 -1.893) 3.422 2.956 ( 0.372 1.126 -0.322) 1.228 3.035 ( 4.329 -0.123 1.510) 4.587 3.113 ( -0.041 2.614 0.620) 2.687 3.290 ( -2.565 1.534 -0.825) 3.100 3.336 ( 1.501 1.129 -3.710) 4.159 3.469 ( -0.622 0.838 -1.626) 1.932 3.522 ( 3.813 -1.098 1.541) 4.257 3.694 ( 4.199 1.266 -0.281) 4.395 3.729 ( 0.193 2.432 1.771) 3.015 3.786 ( 1.375 -0.293 0.509) 1.496 3.923 ( 1.838 -2.431 -0.662) 3.119 3.986 ( -3.370 3.333 0.312) 4.751 4.204 ( -1.237 0.206 2.074) 2.424 4.369 ( -3.848 -2.183 -2.741) 5.204 4.458 ( -2.747 -2.097 -0.329) 3.472 4.574 ( 0.447 0.815 0.164) 0.944 4.688 ( -1.589 -1.124 -0.208) 1.958 4.945 ( -2.252 -2.104 -3.110) 4.379 5.056 ( 2.262 -2.518 2.078) 3.972 5.283 ( -2.813 -1.031 -3.189) 4.375 5.392 ( 1.583 -0.551 2.486) 2.998 5.814 ( -3.604 1.095 -3.607) 5.215 5.906 ( 4.261 -0.155 4.831) 6.444 6.645 ( -0.312 -0.704 0.168) 0.788 6.669 ( -0.100 -0.078 0.261) 0.290 6.877 ( -2.135 -0.019 -2.983) 3.668 6.948 ( 1.826 0.737 1.635) 2.559 7.253 ( -0.068 0.707 0.241) 0.750 7.280 ( 0.293 0.193 0.381) 0.518 7.469 ( -0.824 0.486 -0.945) 1.344 7.506 ( 0.608 -0.036 0.806) 1.010 8.051 ( 0.146 0.379 -0.072) 0.412 8.056 ( 0.264 0.481 0.064) 0.552 16.452 ( -0.187 -1.131 -0.035) 1.147 16.473 ( -0.353 -0.119 -0.014) 0.373 17.112 ( 0.507 2.118 0.101) 2.180 17.215 ( 0.436 2.208 0.028) 2.250 18.072 ( 0.154 -0.958 -0.598) 1.140 18.133 ( 0.979 0.048 0.471) 1.088 19.048 ( -1.923 0.818 -1.741) 2.719 19.097 ( 2.136 -0.146 2.091) 2.993 19.514 ( -0.777 -0.006 -2.147) 2.283 19.571 ( 2.591 0.207 2.309) 3.477 20.163 ( -3.042 -0.104 -1.526) 3.405 20.291 ( -0.172 -1.486 1.183) 1.907 ======================= Grid point 14 (10/93) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -14.578 0.038 -13.629) 19.956 0.973 ( -6.008 6.799 -4.727) 10.231 1.109 ( -5.589 -0.541 -5.437) 7.816 1.218 ( 1.793 3.041 -0.753) 3.610 1.400 ( 1.206 -3.588 3.631) 5.245 1.435 ( 4.118 1.665 1.049) 4.564 1.470 ( 1.368 1.026 2.316) 2.879 1.591 ( 3.420 1.449 3.163) 4.878 1.718 ( 5.613 -0.206 -0.344) 5.627 1.827 ( -0.091 2.259 -1.937) 2.977 1.858 ( -4.208 -2.984 -5.418) 7.481 1.993 ( -4.084 0.453 1.466) 4.363 2.221 ( -1.118 0.536 -0.990) 1.586 2.231 ( -2.201 -1.851 2.167) 3.601 2.434 ( 3.884 3.234 0.675) 5.099 2.466 ( 5.425 -2.120 3.018) 6.560 2.578 ( 1.236 0.140 5.957) 6.085 2.655 ( 2.596 1.973 -1.650) 3.654 2.708 ( 3.668 0.092 2.779) 4.603 2.795 ( -2.200 -1.822 2.584) 3.852 2.898 ( -1.142 -2.124 -0.802) 2.542 2.939 ( -1.301 1.147 2.226) 2.822 3.068 ( 2.224 0.899 -1.007) 2.602 3.097 ( 3.215 -0.146 1.947) 3.761 3.233 ( -4.035 0.006 0.138) 4.038 3.326 ( -0.450 -0.181 -0.173) 0.515 3.425 ( -1.455 1.693 -2.113) 3.074 3.572 ( 3.692 1.041 2.318) 4.482 3.677 ( -0.783 0.524 -1.723) 1.964 3.705 ( 1.437 2.441 -0.034) 2.833 3.745 ( -3.082 3.345 -1.628) 4.831 3.908 ( -2.581 0.894 -1.350) 3.046 4.002 ( 5.586 -2.767 -0.038) 6.234 4.198 ( -0.853 -0.070 0.960) 1.286 4.379 ( -4.358 -2.315 -2.863) 5.705 4.489 ( -1.915 0.690 -1.291) 2.410 4.544 ( 2.335 -2.652 0.704) 3.603 4.725 ( -0.629 -2.256 0.659) 2.433 4.935 ( -0.827 0.780 -1.537) 1.912 5.118 ( 1.810 -1.110 1.810) 2.790 5.264 ( -1.884 -0.307 -2.578) 3.208 5.422 ( 1.371 -0.297 1.874) 2.341 5.760 ( -2.299 0.325 -2.492) 3.406 5.969 ( 3.710 -0.445 4.158) 5.590 6.655 ( -0.155 -0.635 -0.209) 0.687 6.667 ( 0.086 0.389 0.122) 0.417 6.849 ( -2.034 -0.194 -2.261) 3.047 6.957 ( 1.061 0.298 1.241) 1.660 7.238 ( -0.377 0.537 -0.298) 0.721 7.284 ( 0.418 -0.006 0.385) 0.568 7.451 ( -0.786 0.128 -1.004) 1.281 7.519 ( 0.692 -0.272 0.852) 1.131 8.047 ( 0.001 0.097 -0.010) 0.097 8.050 ( 0.037 0.248 0.005) 0.251 16.459 ( -0.370 0.130 -0.373) 0.541 16.472 ( -0.107 -0.005 -0.154) 0.187 17.091 ( 0.119 0.383 0.123) 0.420 17.192 ( 0.038 0.356 0.050) 0.361 18.081 ( -0.157 -0.137 -0.309) 0.373 18.128 ( 0.096 1.191 0.293) 1.230 19.011 ( -1.595 0.688 -1.424) 2.246 19.134 ( 2.055 -0.881 1.973) 2.982 19.485 ( -1.633 0.946 -1.930) 2.699 19.582 ( 0.945 1.228 1.682) 2.287 20.132 ( -2.192 -0.442 -2.376) 3.263 20.354 ( 2.499 -2.716 2.229) 4.312 ======================= Grid point 15 (11/93) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -13.916 6.771 -13.315) 20.416 0.764 ( -5.571 9.309 -2.533) 11.141 1.065 ( -4.444 0.084 -2.377) 5.041 1.179 ( 0.121 -0.099 -0.566) 0.587 1.325 ( -0.282 13.189 -0.348) 13.196 1.484 ( 1.520 -1.185 4.044) 4.480 1.517 ( 4.146 -2.829 3.077) 5.887 1.651 ( 4.125 -3.293 1.563) 5.505 1.765 ( 1.194 0.245 -0.206) 1.236 1.790 ( -0.057 -1.525 -1.634) 2.236 1.842 ( -3.571 -1.123 -5.554) 6.698 1.983 ( -2.011 -0.982 1.626) 2.766 2.164 ( -0.638 2.208 0.873) 2.458 2.292 ( -1.463 -3.226 -1.289) 3.770 2.372 ( 0.330 4.609 -0.124) 4.622 2.548 ( 2.023 -1.206 1.560) 2.825 2.574 ( 1.737 3.296 -1.791) 4.133 2.608 ( 3.201 1.863 1.643) 4.051 2.731 ( -4.630 1.644 2.123) 5.353 2.856 ( 7.143 1.307 4.450) 8.517 2.908 ( -0.220 -1.702 2.941) 3.405 2.953 ( 0.050 -1.995 0.568) 2.075 3.053 ( -0.779 -0.355 -2.731) 2.862 3.121 ( 0.731 0.413 0.658) 1.067 3.249 ( -1.307 -2.074 1.184) 2.723 3.337 ( -0.521 -1.175 1.817) 2.226 3.384 ( -0.366 -0.121 -0.752) 0.845 3.559 ( 2.415 3.571 1.860) 4.695 3.620 ( -2.042 4.942 -0.817) 5.409 3.650 ( -3.412 1.324 -3.574) 5.115 3.675 ( -1.247 -0.822 -1.575) 2.171 3.890 ( 0.421 0.556 0.113) 0.706 4.119 ( 5.671 -4.000 0.082) 6.940 4.212 ( 0.775 -1.525 0.380) 1.752 4.359 ( -5.390 -1.923 -2.690) 6.323 4.406 ( -2.771 3.089 -1.831) 4.536 4.687 ( 5.516 -5.160 2.184) 7.863 4.750 ( -1.780 -1.745 -0.457) 2.534 4.882 ( 0.207 4.268 -0.249) 4.280 5.141 ( 1.269 1.092 1.399) 2.181 5.239 ( -1.361 0.112 -1.935) 2.368 5.445 ( 1.055 -0.329 1.260) 1.676 5.745 ( -0.772 -0.955 -0.988) 1.576 6.014 ( 1.951 -0.109 2.224) 2.961 6.655 ( 0.151 0.951 0.011) 0.963 6.668 ( 0.136 -0.889 -0.127) 0.909 6.826 ( -1.604 0.117 -1.446) 2.163 6.968 ( 0.475 -0.328 0.751) 0.947 7.226 ( -0.266 0.230 -0.288) 0.455 7.289 ( 0.146 -0.112 -0.010) 0.185 7.444 ( -0.404 -0.215 -0.557) 0.721 7.533 ( 0.402 -0.427 0.465) 0.748 8.047 ( -0.069 -0.120 0.004) 0.138 8.048 ( -0.060 -0.161 -0.004) 0.172 16.442 ( -0.347 0.976 -0.467) 1.136 16.463 ( -0.196 0.814 -0.369) 0.915 17.102 ( -0.073 -1.379 0.115) 1.386 17.204 ( -0.116 -1.654 0.051) 1.659 18.072 ( -0.157 0.949 0.019) 0.962 18.097 ( -0.491 1.806 -0.023) 1.872 18.983 ( -0.896 0.590 -0.848) 1.367 19.184 ( 1.680 -1.922 1.480) 2.951 19.438 ( -1.559 1.649 -1.298) 2.614 19.561 ( -0.133 1.832 0.845) 2.022 20.120 ( -0.498 -0.273 -1.356) 1.471 20.441 ( 2.117 -3.283 1.421) 4.157 ======================= Grid point 16 (12/93) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( 0.000 9.471 0.000) 9.471 0.522 ( 0.000 12.501 0.000) 12.501 0.970 ( 0.000 22.229 0.000) 22.229 1.036 ( -0.000 -0.667 -0.000) 0.667 1.242 ( -0.000 -5.195 -0.000) 5.195 1.501 ( 0.000 1.282 0.000) 1.282 1.636 ( -0.000 -5.050 -0.000) 5.050 1.721 ( 0.000 3.496 0.000) 3.496 1.756 ( -0.000 -2.760 -0.000) 2.760 1.769 ( -0.000 -1.677 -0.000) 1.677 1.903 ( -0.000 -6.057 -0.000) 6.057 1.996 ( -0.000 -0.205 -0.000) 0.205 2.142 ( 0.000 0.304 0.000) 0.304 2.287 ( 0.000 3.769 0.000) 3.769 2.299 ( 0.000 1.194 0.000) 1.194 2.476 ( 0.000 5.823 0.000) 5.823 2.590 ( -0.000 -2.386 -0.000) 2.386 2.628 ( 0.000 4.470 0.000) 4.470 2.647 ( -0.000 -0.090 -0.000) 0.090 2.863 ( 0.000 1.857 0.000) 1.857 2.909 ( 0.000 2.963 0.000) 2.963 3.002 ( -0.000 -1.449 -0.000) 1.449 3.087 ( -0.000 -3.679 -0.000) 3.679 3.131 ( -0.000 -1.932 -0.000) 1.932 3.255 ( 0.000 0.146 0.000) 0.146 3.363 ( -0.000 -1.007 -0.000) 1.007 3.425 ( -0.000 -2.174 -0.000) 2.174 3.523 ( 0.000 3.953 0.000) 3.953 3.523 ( 0.000 1.207 0.000) 1.207 3.591 ( 0.000 1.076 0.000) 1.076 3.691 ( -0.000 -1.717 -0.000) 1.717 3.872 ( 0.000 1.741 0.000) 1.741 4.224 ( -0.000 -4.191 -0.000) 4.191 4.266 ( -0.000 -2.383 -0.000) 2.383 4.333 ( 0.000 2.030 0.000) 2.030 4.357 ( -0.000 -1.575 -0.000) 1.575 4.758 ( -0.000 -1.307 -0.000) 1.307 4.772 ( 0.000 6.136 0.000) 6.136 4.827 ( -0.000 -3.698 -0.000) 3.698 5.107 ( 0.000 3.065 0.000) 3.065 5.230 ( -0.000 -0.327 -0.000) 0.327 5.459 ( -0.000 -0.158 -0.000) 0.158 5.766 ( -0.000 -1.582 -0.000) 1.582 6.026 ( 0.000 0.211 0.000) 0.211 6.634 ( 0.000 1.231 0.000) 1.231 6.688 ( -0.000 -0.995 -0.000) 0.995 6.808 ( 0.000 0.504 0.000) 0.504 6.982 ( -0.000 -0.673 -0.000) 0.673 7.223 ( -0.000 -0.013 -0.000) 0.013 7.291 ( -0.000 -0.110 -0.000) 0.110 7.446 ( -0.000 -0.336 -0.000) 0.336 7.544 ( -0.000 -0.419 -0.000) 0.419 8.050 ( -0.000 -0.271 -0.000) 0.271 8.054 ( -0.000 -0.383 -0.000) 0.383 16.417 ( 0.000 1.207 0.000) 1.207 16.437 ( 0.000 1.468 0.000) 1.468 17.137 ( -0.000 -2.216 -0.000) 2.216 17.245 ( -0.000 -2.464 -0.000) 2.464 18.040 ( 0.000 2.154 0.000) 2.154 18.067 ( 0.000 1.055 0.000) 1.055 18.968 ( 0.000 0.405 0.000) 0.405 19.240 ( -0.000 -2.420 -0.000) 2.420 19.394 ( 0.000 1.720 0.000) 1.720 19.528 ( 0.000 1.678 0.000) 1.678 20.116 ( 0.000 0.253 0.000) 0.253 20.515 ( -0.000 -2.997 -0.000) 2.997 ======================= Grid point 19 (13/93) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 10.565 -0.000 6.613) 12.464 0.724 ( 12.756 -0.000 8.978) 15.599 1.170 ( 0.306 -0.000 -10.407) 10.411 1.343 ( 9.760 -0.000 -6.400) 11.671 1.345 ( -13.459 0.000 -2.423) 13.675 1.503 ( 23.953 -0.000 14.387) 27.942 1.535 ( 0.562 -0.000 7.732) 7.752 1.601 ( -4.858 0.000 -4.301) 6.488 1.783 ( -4.453 0.000 -6.959) 8.262 1.845 ( 2.137 -0.000 2.832) 3.548 1.989 ( -5.201 0.000 -5.803) 7.793 2.145 ( 3.810 -0.000 -4.523) 5.914 2.232 ( -7.810 0.000 -7.768) 11.016 2.248 ( 2.059 -0.000 4.124) 4.609 2.274 ( 4.515 -0.000 6.917) 8.260 2.377 ( -5.242 0.000 -4.582) 6.963 2.441 ( -0.316 0.000 -0.698) 0.766 2.485 ( 3.266 -0.000 5.194) 6.135 2.650 ( -0.942 0.000 -0.436) 1.038 2.700 ( -0.332 0.000 3.236) 3.253 2.825 ( 1.854 -0.000 6.216) 6.487 2.956 ( 4.009 -0.000 -1.177) 4.178 3.055 ( 0.712 -0.000 -2.762) 2.853 3.123 ( 1.820 -0.000 2.391) 3.005 3.355 ( 0.625 -0.000 -6.618) 6.648 3.397 ( 5.475 -0.000 2.769) 6.135 3.492 ( 4.313 -0.000 -1.797) 4.673 3.503 ( 5.050 -0.000 0.308) 5.059 3.629 ( -0.368 0.000 -3.651) 3.670 3.778 ( 7.129 -0.000 1.186) 7.227 3.826 ( -1.280 0.000 3.190) 3.437 3.832 ( 1.287 -0.000 3.622) 3.844 4.164 ( -4.740 0.000 3.095) 5.661 4.267 ( -4.533 0.000 1.294) 4.714 4.291 ( -6.246 0.000 -0.092) 6.247 4.336 ( -5.234 0.000 -0.875) 5.307 4.604 ( 0.965 -0.000 0.186) 0.982 4.661 ( 3.041 -0.000 0.790) 3.142 4.873 ( -6.114 0.000 -4.683) 7.702 4.939 ( 0.857 -0.000 2.645) 2.780 5.289 ( -5.516 0.000 -5.325) 7.667 5.320 ( 3.053 -0.000 4.744) 5.642 5.869 ( 2.621 -0.000 3.454) 4.336 5.905 ( -3.573 0.000 -3.292) 4.858 6.610 ( -0.046 0.000 1.393) 1.393 6.659 ( -1.218 0.000 -0.015) 1.218 6.922 ( -2.101 0.000 -3.982) 4.503 6.955 ( 2.844 -0.000 1.890) 3.415 7.263 ( 1.099 -0.000 1.438) 1.809 7.312 ( -1.652 0.000 0.518) 1.731 7.493 ( 1.034 -0.000 1.167) 1.559 7.515 ( -1.370 0.000 -1.182) 1.810 8.069 ( 0.385 -0.000 -0.176) 0.423 8.073 ( 0.672 -0.000 0.172) 0.694 16.394 ( -0.379 0.000 0.308) 0.488 16.487 ( -2.456 0.000 0.207) 2.465 17.225 ( 1.209 -0.000 0.449) 1.289 17.315 ( 1.285 -0.000 -0.071) 1.287 18.026 ( 0.767 -0.000 -1.208) 1.431 18.091 ( 2.079 -0.000 0.458) 2.129 19.068 ( 3.217 -0.000 3.482) 4.741 19.112 ( -2.879 0.000 -3.129) 4.252 19.508 ( 1.376 -0.000 -2.817) 3.135 19.520 ( 4.810 -0.000 2.609) 5.473 20.148 ( -0.299 0.000 4.229) 4.239 20.326 ( -8.423 0.000 -4.275) 9.446 ======================= Grid point 20 (14/93) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 6.935 -7.913 3.528) 11.098 0.885 ( 6.664 -2.832 7.720) 10.585 1.135 ( -3.719 -2.416 -8.877) 9.924 1.282 ( -2.008 -2.140 -0.272) 2.948 1.349 ( -0.332 -0.474 -11.160) 11.175 1.522 ( 1.231 3.858 1.717) 4.398 1.577 ( 3.706 2.236 7.534) 8.689 1.637 ( -0.956 2.471 -5.821) 6.395 1.779 ( 2.818 -1.521 6.031) 6.829 1.854 ( 6.817 4.076 -0.081) 7.943 1.902 ( -7.389 -3.108 -9.270) 12.255 2.004 ( -3.530 4.818 -3.924) 7.146 2.229 ( -1.027 2.434 -3.516) 4.398 2.257 ( 1.069 -1.615 1.186) 2.271 2.322 ( 0.321 -2.740 1.329) 3.062 2.411 ( 2.444 -3.600 2.613) 5.076 2.491 ( 0.553 -4.320 -2.085) 4.828 2.543 ( 2.151 4.915 7.013) 8.830 2.628 ( 4.977 -2.036 6.949) 8.787 2.754 ( -1.335 -2.105 0.908) 2.653 2.858 ( 1.144 1.219 6.053) 6.280 3.009 ( 4.327 -1.053 1.909) 4.845 3.042 ( 1.071 1.020 -2.759) 3.131 3.162 ( 2.271 -0.401 1.980) 3.039 3.313 ( -0.078 1.016 -5.835) 5.923 3.414 ( 0.344 1.734 -3.248) 3.698 3.502 ( 4.299 1.174 -0.471) 4.481 3.511 ( 0.618 1.144 -0.737) 1.494 3.686 ( 5.796 -3.207 1.979) 6.913 3.797 ( 2.166 0.499 -1.000) 2.437 3.827 ( 1.859 1.841 2.375) 3.534 3.853 ( 2.167 1.303 1.482) 2.931 4.149 ( -3.973 4.458 0.912) 6.041 4.165 ( -3.281 -1.708 3.784) 5.292 4.297 ( -7.074 -2.109 -2.652) 7.844 4.333 ( -5.408 -4.335 0.178) 6.933 4.597 ( 2.357 1.087 1.481) 2.988 4.687 ( -0.307 0.303 -1.424) 1.488 4.829 ( -4.199 -2.943 -4.248) 6.659 4.962 ( 0.134 -1.377 1.800) 2.271 5.228 ( -4.958 -1.177 -4.963) 7.114 5.372 ( 2.528 -0.416 3.798) 4.582 5.854 ( -3.416 0.700 -2.927) 4.553 5.908 ( 3.026 0.103 3.799) 4.858 6.622 ( 0.171 -0.389 1.608) 1.663 6.655 ( -0.740 -0.399 0.108) 0.848 6.881 ( -2.321 0.161 -4.162) 4.768 6.978 ( 2.225 0.598 1.479) 2.738 7.276 ( 0.900 0.297 1.259) 1.576 7.296 ( -0.964 0.531 0.090) 1.104 7.492 ( -1.008 0.527 -0.873) 1.434 7.507 ( 0.562 -0.009 0.711) 0.906 8.068 ( 0.341 0.362 -0.154) 0.521 8.076 ( 0.599 0.400 0.148) 0.735 16.401 ( -0.374 -1.031 0.099) 1.102 16.468 ( -1.529 -0.013 -0.176) 1.540 17.214 ( 1.044 2.257 0.309) 2.506 17.309 ( 1.110 1.760 -0.007) 2.081 18.034 ( 0.640 -0.702 -0.885) 1.298 18.117 ( 1.894 -0.575 0.482) 2.037 19.072 ( -2.373 0.347 -2.592) 3.532 19.107 ( 2.935 0.372 3.173) 4.339 19.507 ( 0.744 -0.167 -2.320) 2.442 19.573 ( 4.490 0.006 2.579) 5.178 20.163 ( -1.450 0.151 2.373) 2.785 20.244 ( -6.675 -0.950 -2.813) 7.306 ======================= Grid point 21 (15/93) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -1.394 -4.965 -3.909) 6.471 0.963 ( -1.797 -2.638 0.063) 3.192 1.148 ( -2.271 -0.976 0.137) 2.476 1.267 ( -0.105 -0.815 -6.876) 6.925 1.385 ( 2.737 -4.996 -0.546) 5.723 1.428 ( -0.411 5.215 -1.614) 5.475 1.547 ( -1.461 3.051 -3.306) 4.730 1.613 ( 3.431 1.080 4.274) 5.587 1.738 ( -3.467 0.533 -2.384) 4.241 1.809 ( 0.777 2.316 -4.809) 5.394 1.917 ( 5.059 0.544 1.819) 5.403 1.999 ( -2.514 -3.047 -0.099) 3.951 2.120 ( -4.197 2.906 -1.463) 5.311 2.318 ( 0.406 -1.529 0.220) 1.598 2.397 ( 2.990 -1.064 1.851) 3.673 2.437 ( 0.892 -0.665 -0.733) 1.332 2.541 ( 2.244 -0.432 8.038) 8.356 2.610 ( 3.777 -4.712 2.229) 6.437 2.744 ( -3.207 0.022 -2.770) 4.238 2.768 ( 7.368 -1.207 8.117) 11.028 2.844 ( -0.797 2.911 4.035) 5.039 2.992 ( -0.039 1.919 -1.230) 2.279 3.084 ( 5.611 -0.046 3.089) 6.406 3.165 ( 0.308 2.217 0.814) 2.382 3.272 ( -2.563 0.334 -3.576) 4.412 3.338 ( -2.091 1.574 -5.968) 6.517 3.491 ( 1.751 1.287 -0.759) 2.302 3.542 ( 3.451 -0.747 1.558) 3.859 3.750 ( 1.007 0.570 1.461) 1.864 3.784 ( -1.483 3.221 0.884) 3.654 3.843 ( 7.327 2.948 -0.943) 7.954 3.879 ( 4.184 -4.649 0.253) 6.260 4.032 ( -4.615 4.637 1.235) 6.657 4.191 ( -3.417 -0.727 2.178) 4.116 4.272 ( -2.948 -2.924 -2.959) 5.099 4.365 ( -4.944 -4.000 -0.229) 6.364 4.594 ( -0.721 1.419 -0.985) 1.872 4.659 ( -1.114 -0.101 -0.049) 1.119 4.860 ( -0.895 -3.853 -2.385) 4.619 5.018 ( 0.313 -3.268 0.833) 3.387 5.210 ( -2.984 -2.420 -3.061) 4.912 5.409 ( 1.524 -0.234 2.331) 2.795 5.797 ( -2.646 1.239 -2.279) 3.706 5.953 ( 3.057 -0.340 3.609) 4.742 6.637 ( 0.135 -0.262 1.090) 1.129 6.661 ( -0.276 -0.580 0.164) 0.663 6.843 ( -2.056 -0.079 -3.327) 3.912 6.985 ( 1.381 0.947 0.998) 1.949 7.269 ( -0.303 0.948 0.187) 1.013 7.290 ( 0.477 0.207 0.586) 0.783 7.467 ( -0.976 0.599 -0.972) 1.502 7.515 ( 0.623 0.040 0.765) 0.987 8.061 ( 0.206 0.546 -0.097) 0.592 8.070 ( 0.373 0.671 0.090) 0.773 16.424 ( -0.250 -1.517 -0.049) 1.539 16.462 ( -0.713 -0.439 -0.203) 0.862 17.170 ( 0.657 3.149 0.160) 3.221 17.271 ( 0.650 2.930 0.040) 3.001 18.052 ( 0.328 -1.050 -0.581) 1.244 18.142 ( 1.241 -0.355 0.428) 1.360 19.036 ( -1.777 0.535 -1.807) 2.590 19.132 ( 2.218 0.583 2.360) 3.291 19.502 ( -0.116 0.067 -1.803) 1.808 19.614 ( 3.212 0.515 2.219) 3.938 20.118 ( -4.857 0.141 -2.448) 5.441 20.257 ( -0.263 -2.583 1.787) 3.152 ======================= Grid point 22 (16/93) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -7.572 0.817 -8.175) 11.172 0.984 ( -2.530 -0.446 -2.277) 3.433 1.054 ( -3.876 2.997 -3.210) 5.858 1.341 ( 1.402 3.412 0.796) 3.774 1.356 ( 4.805 -2.307 3.223) 6.229 1.463 ( -1.009 0.450 -5.041) 5.160 1.485 ( 1.194 -1.566 1.618) 2.548 1.637 ( 1.281 -0.281 2.376) 2.714 1.727 ( -0.402 -0.490 -0.566) 0.849 1.790 ( 1.083 -0.606 -2.798) 3.061 1.900 ( 1.442 4.281 0.214) 4.523 1.993 ( -2.039 1.528 1.660) 3.041 2.101 ( -2.604 -5.063 -2.147) 6.084 2.291 ( -1.039 3.268 1.227) 3.642 2.452 ( 4.089 -1.505 -1.473) 4.599 2.487 ( 0.007 -1.773 2.611) 3.156 2.615 ( 1.174 -1.862 6.081) 6.467 2.683 ( -2.013 1.452 -4.840) 5.439 2.729 ( 2.762 -2.662 2.325) 4.485 2.788 ( 0.554 2.153 2.006) 2.994 2.851 ( 1.039 -0.835 1.580) 2.067 2.996 ( 3.163 1.086 6.358) 7.184 3.108 ( 0.851 2.719 -1.921) 3.436 3.131 ( 2.572 -0.041 0.435) 2.609 3.201 ( -4.747 1.866 -2.054) 5.499 3.304 ( -1.013 -1.081 -2.284) 2.722 3.466 ( 1.069 2.498 -0.253) 2.729 3.596 ( 1.547 -1.520 1.151) 2.455 3.703 ( -0.903 3.313 -0.333) 3.450 3.760 ( 0.307 0.170 0.103) 0.366 3.797 ( 2.250 5.259 -1.455) 5.902 3.911 ( -3.873 3.805 -0.433) 5.447 4.017 ( 8.030 -3.082 1.432) 8.719 4.166 ( -6.100 -1.309 0.277) 6.245 4.299 ( -1.549 -1.336 -2.025) 2.878 4.432 ( -0.261 -5.811 0.599) 5.848 4.534 ( -1.542 1.997 -1.429) 2.900 4.674 ( -1.074 -1.914 -0.130) 2.198 4.919 ( 0.799 -2.317 0.011) 2.451 5.080 ( -0.461 -3.311 -0.377) 3.364 5.229 ( -0.698 -1.766 -0.906) 2.104 5.430 ( 0.667 -0.283 1.019) 1.250 5.749 ( -1.316 1.046 -1.246) 2.092 6.000 ( 2.043 -0.617 2.336) 3.164 6.644 ( -0.054 -0.235 0.215) 0.322 6.669 ( -0.046 -0.252 0.081) 0.269 6.822 ( -1.175 -0.328 -1.614) 2.024 6.979 ( 0.588 0.845 0.512) 1.149 7.249 ( -0.187 0.918 -0.044) 0.938 7.291 ( 0.300 0.217 0.326) 0.493 7.447 ( -0.505 0.431 -0.580) 0.881 7.523 ( 0.361 -0.109 0.452) 0.589 8.052 ( 0.061 0.450 -0.034) 0.456 8.060 ( 0.125 0.654 0.029) 0.666 16.447 ( -0.166 -1.007 -0.115) 1.027 16.466 ( -0.208 -0.400 -0.108) 0.464 17.120 ( 0.237 2.379 0.076) 2.392 17.221 ( 0.197 2.482 0.033) 2.490 18.070 ( 0.034 -0.778 -0.280) 0.828 18.150 ( 0.442 0.567 0.246) 0.760 19.007 ( -0.933 0.588 -0.840) 1.387 19.147 ( 1.180 0.096 1.204) 1.689 19.485 ( -0.534 0.713 -1.052) 1.379 19.623 ( 1.203 1.352 1.140) 2.139 20.087 ( -2.219 -1.124 -1.574) 2.943 20.322 ( 0.806 -3.057 1.243) 3.397 ======================= Grid point 23 (17/93) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 0.000 4.853 0.000) 4.853 0.892 ( 0.000 6.433 0.000) 6.433 1.031 ( -0.000 -1.125 -0.000) 1.125 1.233 ( 0.000 6.096 0.000) 6.096 1.448 ( -0.000 -3.549 -0.000) 3.549 1.491 ( 0.000 2.842 0.000) 2.842 1.496 ( -0.000 -2.966 -0.000) 2.966 1.640 ( 0.000 1.057 0.000) 1.057 1.730 ( -0.000 -1.606 -0.000) 1.606 1.815 ( -0.000 -1.408 -0.000) 1.408 1.816 ( 0.000 4.443 0.000) 4.443 1.971 ( 0.000 0.127 0.000) 0.127 2.188 ( -0.000 -4.022 -0.000) 4.022 2.227 ( 0.000 2.024 0.000) 2.024 2.447 ( 0.000 2.748 0.000) 2.748 2.534 ( -0.000 -1.349 -0.000) 1.349 2.639 ( 0.000 0.381 0.000) 0.381 2.639 ( 0.000 1.973 0.000) 1.973 2.749 ( 0.000 1.113 0.000) 1.113 2.832 ( -0.000 -4.485 -0.000) 4.485 2.879 ( -0.000 -1.747 -0.000) 1.747 2.998 ( 0.000 3.017 0.000) 3.017 3.053 ( 0.000 2.025 0.000) 2.025 3.140 ( 0.000 1.283 0.000) 1.283 3.183 ( -0.000 -3.721 -0.000) 3.721 3.319 ( -0.000 -1.089 -0.000) 1.089 3.416 ( 0.000 2.961 0.000) 2.961 3.617 ( 0.000 0.481 0.000) 0.481 3.657 ( 0.000 0.505 0.000) 0.505 3.691 ( 0.000 5.944 0.000) 5.944 3.713 ( 0.000 4.790 0.000) 4.790 3.875 ( -0.000 -1.402 -0.000) 1.402 4.112 ( -0.000 -0.858 -0.000) 0.858 4.167 ( -0.000 -3.313 -0.000) 3.313 4.295 ( -0.000 -0.783 -0.000) 0.783 4.449 ( 0.000 2.792 0.000) 2.792 4.595 ( -0.000 -7.141 -0.000) 7.141 4.704 ( -0.000 -1.836 -0.000) 1.836 4.936 ( 0.000 1.087 0.000) 1.087 5.132 ( -0.000 -2.281 -0.000) 2.281 5.239 ( 0.000 0.241 0.000) 0.241 5.443 ( -0.000 -0.521 -0.000) 0.521 5.729 ( 0.000 0.046 0.000) 0.046 6.024 ( -0.000 -0.365 -0.000) 0.365 6.652 ( -0.000 -0.688 -0.000) 0.688 6.668 ( 0.000 0.355 0.000) 0.355 6.818 ( -0.000 -0.078 -0.000) 0.078 6.971 ( 0.000 0.293 0.000) 0.293 7.233 ( 0.000 0.649 0.000) 0.649 7.290 ( 0.000 0.116 0.000) 0.116 7.439 ( 0.000 0.083 0.000) 0.083 7.529 ( -0.000 -0.300 -0.000) 0.300 8.047 ( 0.000 0.137 0.000) 0.137 8.050 ( 0.000 0.351 0.000) 0.351 16.452 ( 0.000 0.266 0.000) 0.266 16.470 ( 0.000 0.021 0.000) 0.021 17.093 ( 0.000 0.517 0.000) 0.517 17.192 ( 0.000 0.498 0.000) 0.498 18.077 ( -0.000 -0.099 -0.000) 0.099 18.131 ( 0.000 1.637 0.000) 1.637 18.990 ( 0.000 0.673 0.000) 0.673 19.164 ( -0.000 -1.102 -0.000) 1.102 19.459 ( 0.000 1.426 0.000) 1.426 19.599 ( 0.000 1.862 0.000) 1.862 20.100 ( -0.000 -1.225 -0.000) 1.225 20.389 ( -0.000 -3.359 -0.000) 3.359 ======================= Grid point 28 (18/93) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 8.283 -0.000 8.703) 12.015 0.910 ( -2.059 0.000 -0.103) 2.062 1.084 ( 4.599 -0.000 1.435) 4.818 1.239 ( -0.474 0.000 0.474) 0.670 1.288 ( -1.757 0.000 -10.238) 10.388 1.555 ( -8.585 0.000 -12.071) 14.813 1.559 ( -1.993 0.000 -2.117) 2.908 1.653 ( 0.149 -0.000 4.154) 4.157 1.742 ( -7.219 0.000 -5.494) 9.071 1.850 ( 4.438 -0.000 5.141) 6.792 1.909 ( 3.362 -0.000 -1.511) 3.686 2.104 ( 1.131 -0.000 -3.222) 3.415 2.194 ( 3.409 -0.000 -3.597) 4.956 2.310 ( -1.656 0.000 0.457) 1.718 2.312 ( 4.758 -0.000 2.402) 5.330 2.333 ( 0.747 -0.000 3.284) 3.368 2.455 ( 1.951 -0.000 -2.452) 3.134 2.598 ( -5.608 0.000 1.599) 5.831 2.715 ( 3.272 -0.000 3.726) 4.958 2.768 ( 9.127 -0.000 12.553) 15.520 2.925 ( 2.272 -0.000 6.928) 7.291 3.036 ( -0.269 0.000 -2.896) 2.908 3.046 ( 3.456 -0.000 4.011) 5.294 3.196 ( 4.566 -0.000 0.782) 4.632 3.293 ( -0.628 0.000 -7.025) 7.053 3.400 ( -3.699 0.000 -3.812) 5.312 3.544 ( 3.219 -0.000 -1.761) 3.670 3.549 ( 2.773 -0.000 1.077) 2.975 3.698 ( 5.813 -0.000 1.016) 5.901 3.771 ( -4.266 0.000 -0.154) 4.268 3.873 ( 0.796 -0.000 1.101) 1.359 3.928 ( 7.686 -0.000 0.229) 7.690 4.133 ( -2.466 0.000 3.167) 4.014 4.187 ( -6.358 0.000 0.351) 6.368 4.207 ( -3.156 0.000 -0.093) 3.157 4.230 ( -5.489 0.000 -0.296) 5.497 4.615 ( 0.694 -0.000 -0.659) 0.957 4.719 ( 2.949 -0.000 0.533) 2.996 4.729 ( -4.784 0.000 -4.202) 6.367 4.948 ( -1.325 0.000 1.141) 1.748 5.149 ( -4.724 0.000 -4.527) 6.543 5.405 ( 2.049 -0.000 2.878) 3.533 5.824 ( -2.632 0.000 -1.988) 3.298 5.946 ( 2.285 -0.000 2.898) 3.690 6.633 ( 0.700 -0.000 2.295) 2.399 6.645 ( -0.549 0.000 0.076) 0.555 6.843 ( -2.304 0.000 -4.200) 4.791 7.006 ( 1.534 -0.000 0.951) 1.805 7.292 ( 0.777 -0.000 0.967) 1.241 7.293 ( -0.846 0.000 0.002) 0.846 7.481 ( -1.173 0.000 -0.965) 1.518 7.517 ( 0.675 -0.000 0.732) 0.996 8.074 ( 0.288 -0.000 -0.129) 0.315 8.085 ( 0.510 -0.000 0.125) 0.525 16.388 ( -0.357 0.000 -0.025) 0.358 16.452 ( -1.362 0.000 -0.423) 1.427 17.246 ( 0.786 -0.000 0.256) 0.827 17.335 ( 0.990 -0.000 0.017) 0.990 18.028 ( 0.485 -0.000 -0.665) 0.823 18.129 ( 1.628 -0.000 0.430) 1.684 19.047 ( -1.723 0.000 -2.024) 2.658 19.149 ( 2.444 -0.000 2.736) 3.668 19.502 ( 0.543 -0.000 -1.926) 2.001 19.624 ( 4.343 -0.000 2.422) 4.973 20.147 ( -7.391 0.000 -3.736) 8.281 20.179 ( -0.177 0.000 3.018) 3.023 ======================= Grid point 29 (19/93) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 2.994 0.219 3.063) 4.289 0.889 ( -2.955 -2.258 -1.508) 4.013 1.166 ( 3.540 0.987 4.535) 5.836 1.239 ( 1.590 -0.688 -2.161) 2.770 1.295 ( 0.967 -5.126 0.149) 5.219 1.407 ( -7.457 0.833 -10.030) 12.526 1.527 ( -4.025 -3.062 -6.835) 8.503 1.616 ( -2.907 1.986 -0.071) 3.521 1.754 ( 2.083 -0.649 5.626) 6.034 1.849 ( 0.429 1.955 -1.977) 2.813 1.957 ( 1.890 -1.438 0.074) 2.376 2.008 ( 3.320 5.871 -1.251) 6.859 2.175 ( -2.641 6.568 0.104) 7.080 2.275 ( -0.006 -4.610 -0.574) 4.645 2.394 ( 3.849 -1.008 2.756) 4.840 2.440 ( 3.095 -0.822 -2.787) 4.246 2.502 ( -0.420 -7.458 0.907) 7.524 2.562 ( -2.523 -0.530 2.916) 3.892 2.716 ( -1.019 1.321 -0.456) 1.730 2.891 ( 6.226 1.330 7.363) 9.733 2.948 ( 2.942 2.957 6.474) 7.701 3.010 ( 0.085 0.699 -1.046) 1.261 3.125 ( 2.758 -2.578 4.668) 6.004 3.220 ( 3.299 2.018 -1.105) 4.022 3.236 ( -1.759 0.942 -5.315) 5.677 3.322 ( -4.324 2.347 -4.051) 6.373 3.532 ( 1.761 1.713 -0.210) 2.466 3.566 ( 1.472 0.504 0.059) 1.557 3.741 ( -2.275 -0.499 0.120) 2.332 3.808 ( 3.576 -5.061 1.451) 6.365 3.851 ( 0.083 2.241 -0.193) 2.251 3.965 ( 7.460 2.813 -1.277) 8.075 4.081 ( -5.674 3.891 2.147) 7.207 4.153 ( -2.404 -0.892 1.051) 2.771 4.197 ( -0.268 -2.226 -1.913) 2.947 4.242 ( -4.762 -3.996 0.489) 6.236 4.607 ( -0.411 1.132 -0.850) 1.475 4.664 ( -1.056 1.206 -0.942) 1.859 4.781 ( 0.986 -3.464 -0.422) 3.626 4.961 ( -1.018 -2.139 0.163) 2.375 5.125 ( -2.296 -2.521 -2.141) 4.026 5.427 ( 0.957 0.043 1.382) 1.682 5.792 ( -1.441 0.802 -1.062) 1.962 5.976 ( 1.412 -0.459 1.728) 2.278 6.647 ( 0.199 -0.143 0.909) 0.942 6.648 ( 0.183 -0.216 0.778) 0.828 6.810 ( -1.539 -0.195 -2.722) 3.133 7.013 ( 0.741 0.651 0.463) 1.090 7.281 ( -0.345 0.589 0.014) 0.682 7.299 ( 0.385 0.136 0.462) 0.617 7.466 ( -0.643 0.382 -0.552) 0.930 7.523 ( 0.353 0.063 0.394) 0.533 8.072 ( 0.147 0.391 -0.067) 0.422 8.085 ( 0.262 0.471 0.063) 0.542 16.396 ( -0.184 -1.082 -0.055) 1.099 16.446 ( -0.608 -0.452 -0.236) 0.793 17.229 ( 0.408 2.332 0.117) 2.370 17.324 ( 0.492 1.918 0.026) 1.981 18.036 ( 0.239 -0.671 -0.332) 0.786 18.145 ( 0.857 -0.399 0.253) 0.978 19.025 ( -0.931 0.325 -1.064) 1.451 19.169 ( 1.342 0.588 1.508) 2.103 19.497 ( 0.126 0.081 -1.074) 1.084 19.660 ( 2.653 0.574 1.574) 3.138 20.073 ( -4.115 0.452 -2.089) 4.637 20.214 ( -0.145 -2.339 1.408) 2.734 ======================= Grid point 30 (20/93) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 0.000 2.295 0.000) 2.295 0.929 ( -0.000 -2.937 -0.000) 2.937 1.109 ( 0.000 4.385 0.000) 4.385 1.328 ( -0.000 -1.623 -0.000) 1.623 1.341 ( -0.000 -3.229 -0.000) 3.229 1.417 ( -0.000 -6.208 -0.000) 6.208 1.526 ( 0.000 5.895 0.000) 5.895 1.584 ( -0.000 -4.847 -0.000) 4.847 1.770 ( 0.000 3.276 0.000) 3.276 1.801 ( 0.000 1.433 0.000) 1.433 1.966 ( 0.000 1.486 0.000) 1.486 1.989 ( -0.000 -2.962 -0.000) 2.962 2.052 ( 0.000 4.538 0.000) 4.538 2.328 ( -0.000 -0.058 -0.000) 0.058 2.444 ( -0.000 -1.316 -0.000) 1.316 2.445 ( -0.000 -1.794 -0.000) 1.794 2.591 ( -0.000 -2.731 -0.000) 2.731 2.655 ( -0.000 -6.392 -0.000) 6.392 2.672 ( 0.000 1.514 0.000) 1.514 2.883 ( 0.000 5.576 0.000) 5.576 2.886 ( 0.000 2.219 0.000) 2.219 3.042 ( -0.000 -1.257 -0.000) 1.257 3.138 ( 0.000 2.524 0.000) 2.524 3.176 ( 0.000 3.595 0.000) 3.595 3.231 ( 0.000 2.333 0.000) 2.333 3.249 ( -0.000 -2.699 -0.000) 2.699 3.509 ( 0.000 1.679 0.000) 1.679 3.577 ( -0.000 -1.073 -0.000) 1.073 3.744 ( -0.000 -0.631 -0.000) 0.631 3.776 ( 0.000 4.069 0.000) 4.069 3.914 ( 0.000 4.684 0.000) 4.684 3.969 ( -0.000 -6.364 -0.000) 6.364 3.977 ( 0.000 4.671 0.000) 4.671 4.123 ( 0.000 1.168 0.000) 1.168 4.261 ( -0.000 -2.659 -0.000) 2.659 4.311 ( -0.000 -6.015 -0.000) 6.015 4.566 ( 0.000 2.263 0.000) 2.263 4.648 ( -0.000 -0.217 -0.000) 0.217 4.861 ( -0.000 -4.123 -0.000) 4.123 5.009 ( -0.000 -3.412 -0.000) 3.412 5.173 ( -0.000 -3.402 -0.000) 3.402 5.433 ( 0.000 0.019 0.000) 0.019 5.763 ( 0.000 1.259 0.000) 1.259 6.000 ( -0.000 -0.805 -0.000) 0.805 6.647 ( 0.000 0.353 0.000) 0.353 6.659 ( -0.000 -0.675 -0.000) 0.675 6.805 ( -0.000 -0.488 -0.000) 0.488 7.001 ( 0.000 1.007 0.000) 1.007 7.266 ( 0.000 0.907 0.000) 0.907 7.298 ( 0.000 0.252 0.000) 0.252 7.453 ( 0.000 0.542 0.000) 0.542 7.525 ( 0.000 0.026 0.000) 0.026 8.063 ( 0.000 0.576 0.000) 0.576 8.074 ( 0.000 0.742 0.000) 0.742 16.421 ( -0.000 -1.534 -0.000) 1.534 16.454 ( -0.000 -0.659 -0.000) 0.659 17.176 ( 0.000 3.243 0.000) 3.243 17.277 ( 0.000 3.062 0.000) 3.062 18.052 ( -0.000 -0.971 -0.000) 0.971 18.156 ( -0.000 -0.176 -0.000) 0.176 19.011 ( 0.000 0.474 0.000) 0.474 19.165 ( 0.000 0.757 0.000) 0.757 19.491 ( 0.000 0.357 0.000) 0.357 19.657 ( 0.000 1.224 0.000) 1.224 20.053 ( -0.000 -0.678 -0.000) 0.678 20.269 ( -0.000 -3.084 -0.000) 3.084 ======================= Grid point 39 (21/93) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.000 -0.000 0.000) 0.000 0.853 ( 0.000 -0.000 -0.000) 0.000 1.218 ( 0.000 -0.000 -0.000) 0.000 1.246 ( 0.000 -0.000 -0.000) 0.000 1.271 ( -0.000 0.000 -0.000) 0.000 1.311 ( 0.000 -0.000 0.000) 0.000 1.431 ( 0.000 -0.000 -0.000) 0.000 1.631 ( 0.000 -0.000 -0.000) 0.000 1.749 ( 0.000 -0.000 -0.000) 0.000 1.895 ( -0.000 0.000 -0.000) 0.000 1.940 ( 0.000 -0.000 0.000) 0.000 2.117 ( 0.000 -0.000 0.000) 0.000 2.187 ( 0.000 -0.000 0.000) 0.000 2.310 ( 0.000 -0.000 -0.000) 0.000 2.334 ( 0.000 -0.000 -0.000) 0.000 2.421 ( 0.000 -0.000 -0.000) 0.000 2.453 ( -0.000 0.000 0.000) 0.000 2.542 ( 0.000 -0.000 -0.000) 0.000 2.736 ( 0.000 -0.000 0.000) 0.000 2.958 ( 0.000 -0.000 -0.000) 0.000 3.009 ( 0.000 -0.000 -0.000) 0.000 3.016 ( 0.000 -0.000 0.000) 0.000 3.101 ( 0.000 -0.000 -0.000) 0.000 3.222 ( 0.000 -0.000 -0.000) 0.000 3.267 ( -0.000 0.000 0.000) 0.000 3.317 ( 0.000 -0.000 0.000) 0.000 3.562 ( 0.000 -0.000 0.000) 0.000 3.580 ( 0.000 -0.000 -0.000) 0.000 3.721 ( 0.000 -0.000 -0.000) 0.000 3.764 ( 0.000 -0.000 0.000) 0.000 3.879 ( 0.000 -0.000 0.000) 0.000 4.037 ( -0.000 0.000 0.000) 0.000 4.084 ( 0.000 -0.000 -0.000) 0.000 4.135 ( 0.000 -0.000 -0.000) 0.000 4.171 ( -0.000 0.000 -0.000) 0.000 4.182 ( 0.000 -0.000 -0.000) 0.000 4.618 ( 0.000 -0.000 0.000) 0.000 4.666 ( 0.000 -0.000 -0.000) 0.000 4.753 ( 0.000 -0.000 -0.000) 0.000 4.937 ( 0.000 -0.000 -0.000) 0.000 5.081 ( 0.000 -0.000 -0.000) 0.000 5.435 ( 0.000 -0.000 0.000) 0.000 5.791 ( 0.000 -0.000 -0.000) 0.000 5.981 ( 0.000 -0.000 0.000) 0.000 6.641 ( 0.000 -0.000 -0.000) 0.000 6.659 ( 0.000 -0.000 0.000) 0.000 6.794 ( 0.000 -0.000 -0.000) 0.000 7.023 ( 0.000 -0.000 -0.000) 0.000 7.285 ( 0.000 -0.000 0.000) 0.000 7.304 ( 0.000 -0.000 0.000) 0.000 7.466 ( 0.000 -0.000 0.000) 0.000 7.526 ( 0.000 -0.000 0.000) 0.000 8.076 ( 0.000 -0.000 -0.000) 0.000 8.091 ( 0.000 -0.000 0.000) 0.000 16.384 ( 0.000 -0.000 -0.000) 0.000 16.438 ( 0.000 -0.000 0.000) 0.000 17.255 ( 0.000 -0.000 0.000) 0.000 17.344 ( 0.000 -0.000 0.000) 0.000 18.030 ( 0.000 -0.000 0.000) 0.000 18.146 ( 0.000 -0.000 0.000) 0.000 19.022 ( 0.000 -0.000 -0.000) 0.000 19.185 ( 0.000 -0.000 -0.000) 0.000 19.496 ( 0.000 -0.000 0.000) 0.000 19.683 ( 0.000 -0.000 0.000) 0.000 20.054 ( 0.000 -0.000 -0.000) 0.000 20.192 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 69 (22/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.233 ( -2.445 0.000 13.996) 14.208 0.333 ( 4.261 -0.000 17.045) 17.570 0.622 ( 12.077 -0.000 29.038) 31.449 1.075 ( 1.060 -0.000 -3.059) 3.237 1.246 ( -5.142 0.000 -13.517) 14.462 1.452 ( 4.644 -0.000 4.588) 6.528 1.695 ( 7.001 -0.000 7.560) 10.304 1.747 ( 3.324 -0.000 -4.497) 5.592 1.824 ( -5.184 0.000 -4.948) 7.166 1.825 ( -7.750 0.000 -4.355) 8.890 1.906 ( 9.048 -0.000 1.793) 9.224 2.057 ( 0.219 -0.000 0.824) 0.852 2.068 ( -1.158 0.000 -2.246) 2.527 2.209 ( 5.155 -0.000 6.093) 7.981 2.339 ( 2.272 -0.000 3.874) 4.491 2.404 ( -1.550 0.000 1.979) 2.514 2.581 ( 0.570 -0.000 -1.012) 1.161 2.633 ( -0.359 0.000 -3.293) 3.312 2.723 ( -7.865 0.000 -5.332) 9.502 2.761 ( -0.259 0.000 -1.090) 1.121 2.784 ( -12.741 0.000 1.572) 12.837 2.982 ( -4.258 0.000 -4.056) 5.880 3.125 ( -2.315 0.000 0.820) 2.456 3.228 ( 0.159 -0.000 -4.767) 4.769 3.271 ( -6.945 0.000 -5.120) 8.628 3.278 ( -4.693 0.000 -2.524) 5.328 3.284 ( 5.399 -0.000 1.505) 5.604 3.469 ( -2.292 0.000 -0.437) 2.333 3.573 ( 3.600 -0.000 1.462) 3.885 3.651 ( 1.605 -0.000 3.202) 3.582 3.835 ( -0.657 0.000 2.375) 2.465 3.897 ( -3.948 0.000 -0.097) 3.949 4.287 ( -1.536 0.000 2.792) 3.187 4.374 ( 0.784 -0.000 -0.858) 1.162 4.441 ( -1.563 0.000 2.036) 2.567 4.454 ( -1.755 0.000 1.620) 2.388 4.509 ( 11.671 -0.000 -0.073) 11.671 4.556 ( 2.250 -0.000 -0.622) 2.335 4.830 ( 4.234 -0.000 3.493) 5.489 5.015 ( -1.880 0.000 -1.719) 2.547 5.244 ( 2.250 -0.000 1.057) 2.486 5.435 ( -2.171 0.000 -2.399) 3.236 5.808 ( 1.061 -0.000 1.920) 2.193 6.011 ( -2.673 0.000 -2.947) 3.979 6.615 ( 0.044 -0.000 1.012) 1.013 6.701 ( -0.622 0.000 -0.908) 1.100 6.840 ( 4.100 -0.000 1.525) 4.375 6.980 ( -1.525 0.000 -1.761) 2.330 7.240 ( 0.260 -0.000 1.580) 1.601 7.373 ( 1.505 -0.000 -1.577) 2.180 7.465 ( 0.304 -0.000 1.063) 1.105 7.545 ( -0.389 0.000 -0.825) 0.912 8.058 ( 0.110 -0.000 0.053) 0.122 8.063 ( -0.108 0.000 -0.056) 0.122 16.404 ( -0.041 0.000 1.140) 1.141 16.516 ( 6.227 -0.000 -1.527) 6.412 17.203 ( -0.188 0.000 1.111) 1.127 17.283 ( 0.265 -0.000 -0.807) 0.850 17.995 ( -0.052 0.000 0.402) 0.405 18.038 ( 0.600 -0.000 -0.586) 0.839 18.986 ( 1.389 -0.000 2.540) 2.895 19.213 ( -2.708 0.000 -3.344) 4.302 19.388 ( 2.327 -0.000 2.439) 3.371 19.537 ( -7.506 0.000 -1.737) 7.705 20.151 ( 0.987 -0.000 4.394) 4.503 20.503 ( -1.112 0.000 -3.953) 4.106 ======================= Grid point 70 (23/93) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 5.981 -8.970 8.597) 13.789 0.596 ( 7.860 -11.089 11.804) 18.003 0.949 ( 16.256 -5.781 16.940) 24.180 1.074 ( 4.877 -0.257 -4.386) 6.565 1.213 ( 1.002 -4.268 -7.360) 8.567 1.476 ( 4.953 4.958 6.044) 9.255 1.606 ( -8.993 5.036 -3.982) 11.049 1.656 ( -5.904 2.317 -8.780) 10.831 1.812 ( 3.648 -0.512 3.975) 5.419 1.841 ( -1.014 -1.006 0.451) 1.498 1.970 ( 2.091 -0.748 1.319) 2.583 2.062 ( 2.019 0.571 -3.773) 4.317 2.075 ( 6.640 1.409 4.722) 8.269 2.278 ( -0.421 -1.653 4.525) 4.836 2.373 ( -1.694 -0.460 1.920) 2.601 2.453 ( -1.736 -4.860 0.752) 5.216 2.545 ( -1.725 2.034 -0.672) 2.751 2.586 ( -7.159 -0.721 -6.930) 9.990 2.631 ( -1.641 1.313 -2.462) 3.237 2.742 ( 0.351 -1.079 3.034) 3.239 2.786 ( -0.867 -1.782 -1.621) 2.560 2.943 ( -1.661 -1.864 -5.035) 5.620 3.120 ( -1.728 -0.273 0.435) 1.803 3.147 ( -7.757 1.459 -0.557) 7.913 3.240 ( 3.664 1.488 -1.274) 4.155 3.256 ( 4.150 -0.134 -2.568) 4.882 3.384 ( 2.476 -2.372 0.543) 3.472 3.470 ( 0.032 -2.992 -1.341) 3.279 3.583 ( 4.094 3.262 2.494) 5.798 3.656 ( -0.050 0.173 -1.868) 1.877 3.835 ( -0.727 1.913 3.451) 4.012 3.857 ( 0.094 0.656 2.589) 2.672 4.281 ( -2.689 0.688 1.390) 3.105 4.317 ( -3.903 3.338 1.137) 5.260 4.413 ( 2.802 0.973 2.913) 4.157 4.462 ( 1.978 0.132 3.233) 3.793 4.574 ( -3.945 -4.458 -3.490) 6.901 4.667 ( 0.686 -4.409 -3.890) 5.920 4.875 ( 4.090 1.015 4.040) 5.838 5.000 ( -3.318 -1.981 -3.197) 5.015 5.281 ( 2.725 -0.611 2.443) 3.710 5.391 ( -3.722 0.067 -3.567) 5.155 5.823 ( 1.840 0.840 2.842) 3.489 5.964 ( -3.131 0.486 -3.577) 4.779 6.627 ( -0.088 -0.656 1.135) 1.314 6.686 ( -0.866 0.209 -0.819) 1.210 6.876 ( 3.717 0.467 2.151) 4.320 6.952 ( -1.952 0.288 -2.604) 3.267 7.250 ( 0.526 0.202 1.781) 1.868 7.338 ( -0.611 2.033 -0.389) 2.159 7.473 ( 0.752 0.224 1.301) 1.519 7.533 ( -0.759 0.312 -1.155) 1.416 8.058 ( 0.275 0.265 0.076) 0.389 8.060 ( 0.065 0.270 -0.083) 0.290 16.416 ( -0.259 -0.802 1.071) 1.363 16.501 ( 1.261 2.133 -0.399) 2.510 17.189 ( 0.145 1.936 1.216) 2.291 17.270 ( 0.705 1.421 -1.063) 1.909 18.010 ( 0.348 -1.125 0.016) 1.177 18.052 ( 1.357 -0.826 -0.407) 1.639 19.015 ( 2.153 0.106 3.295) 3.938 19.171 ( -3.229 0.227 -4.112) 5.233 19.432 ( 3.385 -0.711 2.587) 4.319 19.495 ( -2.059 -0.560 -0.735) 2.257 20.181 ( 0.558 -0.064 5.182) 5.212 20.457 ( -3.712 0.749 -5.274) 6.492 ======================= Grid point 71 (24/93) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 7.767 -9.934 3.915) 13.204 0.908 ( 5.239 -10.472 6.461) 13.374 1.109 ( 4.344 -3.976 -9.897) 11.517 1.174 ( 10.161 -2.733 -2.796) 10.887 1.361 ( 0.542 -0.660 4.532) 4.612 1.392 ( 4.378 2.748 8.233) 9.721 1.490 ( -0.075 2.822 1.360) 3.133 1.538 ( -6.579 1.171 -5.165) 8.446 1.811 ( -6.426 1.469 0.933) 6.657 1.830 ( -0.641 -0.325 1.048) 1.271 2.010 ( -0.708 -1.647 -5.290) 5.585 2.046 ( 4.558 2.121 1.085) 5.143 2.148 ( 8.419 1.782 8.973) 12.433 2.253 ( -7.098 1.041 -6.897) 9.952 2.359 ( -3.401 -2.844 0.553) 4.468 2.473 ( -3.234 3.112 0.630) 4.533 2.505 ( -3.161 -2.683 -0.074) 4.147 2.590 ( 0.892 -3.115 1.119) 3.428 2.619 ( 0.480 -0.944 0.377) 1.124 2.800 ( 5.785 -0.110 0.965) 5.866 2.811 ( -0.339 -2.631 -1.419) 3.008 2.947 ( 0.598 -0.105 -2.112) 2.198 3.064 ( -5.980 0.423 0.542) 6.019 3.127 ( 0.806 0.168 -1.231) 1.481 3.230 ( 3.387 0.849 -5.079) 6.163 3.282 ( 5.351 1.915 1.701) 5.933 3.428 ( -0.161 -1.851 0.758) 2.007 3.526 ( -0.458 -0.447 -1.789) 1.900 3.592 ( 4.599 -0.608 3.296) 5.691 3.661 ( 2.113 -2.388 -2.609) 4.120 3.800 ( -0.542 2.565 3.104) 4.063 3.871 ( 0.658 -0.301 0.873) 1.134 4.189 ( -5.484 4.279 0.987) 7.025 4.270 ( -1.716 1.552 2.954) 3.752 4.452 ( 2.438 -0.615 1.751) 3.064 4.486 ( -1.776 -0.454 -0.531) 1.909 4.559 ( -3.746 -0.420 -0.812) 3.856 4.705 ( -0.821 -1.585 -3.753) 4.155 4.922 ( 2.510 -1.377 3.903) 4.841 5.000 ( -3.085 -2.722 -3.866) 5.646 5.319 ( 0.058 -0.414 0.821) 0.921 5.357 ( -1.178 -0.909 -1.594) 2.181 5.842 ( 3.079 0.880 4.077) 5.184 5.906 ( -3.496 0.892 -4.223) 5.554 6.644 ( -0.271 -0.711 0.884) 1.166 6.675 ( -0.464 0.057 -0.354) 0.587 6.905 ( 2.344 0.493 1.561) 2.859 6.917 ( -1.398 0.158 -2.347) 2.737 7.257 ( 0.678 0.377 1.640) 1.814 7.300 ( -0.657 1.275 -0.489) 1.516 7.480 ( 0.771 0.337 1.283) 1.535 7.512 ( -0.887 0.454 -1.294) 1.633 8.053 ( 0.152 0.375 -0.057) 0.409 8.055 ( 0.337 0.368 0.050) 0.502 16.437 ( -0.360 -1.168 0.619) 1.370 16.481 ( 0.140 0.551 -0.130) 0.583 17.152 ( 0.146 2.562 1.172) 2.821 17.236 ( 1.022 2.371 -1.023) 2.777 18.039 ( 0.112 -1.670 -0.129) 1.679 18.084 ( 1.736 -1.157 -0.116) 2.090 19.046 ( 2.401 0.277 3.358) 4.137 19.117 ( -2.815 0.691 -3.625) 4.641 19.490 ( 3.422 -0.975 2.580) 4.396 19.499 ( -0.389 -1.230 -1.573) 2.035 20.207 ( 0.047 0.123 4.868) 4.870 20.372 ( -4.679 1.533 -5.053) 7.055 ======================= Grid point 72 (25/93) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 5.694 -8.256 0.476) 10.041 1.059 ( -3.188 -3.541 -5.188) 7.043 1.156 ( 6.006 0.564 -6.359) 8.765 1.282 ( -3.622 -1.390 -4.973) 6.307 1.308 ( 2.615 -3.529 0.228) 4.398 1.408 ( -3.505 0.991 -0.817) 3.733 1.467 ( 1.397 1.556 4.385) 4.858 1.557 ( 4.105 -1.002 8.766) 9.731 1.699 ( -7.752 2.723 -1.926) 8.439 1.845 ( 1.202 1.131 0.622) 1.764 1.928 ( -5.641 0.101 -7.666) 9.518 2.090 ( 1.817 -0.589 1.360) 2.345 2.164 ( -1.130 -1.620 -4.644) 5.047 2.266 ( 11.472 2.500 11.664) 16.551 2.323 ( -2.054 3.461 -0.440) 4.048 2.437 ( -5.241 -2.584 -0.252) 5.849 2.553 ( 0.947 -2.172 4.189) 4.813 2.631 ( -0.579 0.224 1.575) 1.693 2.669 ( 3.106 -1.855 1.493) 3.914 2.809 ( 2.180 1.587 -2.190) 3.474 2.866 ( 0.762 -2.182 -1.266) 2.635 2.952 ( 1.984 -0.078 0.561) 2.063 3.031 ( -2.965 -0.386 2.208) 3.717 3.106 ( 0.148 1.820 -0.764) 1.979 3.224 ( 5.004 1.018 -3.992) 6.482 3.302 ( 2.022 -0.453 -0.312) 2.095 3.468 ( -0.021 -1.865 1.427) 2.348 3.505 ( -1.194 0.211 -1.147) 1.669 3.636 ( 1.566 -0.830 -0.233) 1.788 3.747 ( 1.458 -0.037 0.698) 1.617 3.771 ( 1.069 -0.577 2.817) 3.068 3.891 ( 0.889 -1.663 -1.770) 2.586 4.060 ( -5.011 4.846 0.722) 7.008 4.243 ( -0.351 1.968 2.724) 3.379 4.406 ( -4.765 0.534 -4.637) 6.671 4.488 ( -0.647 -0.593 -0.064) 0.880 4.574 ( 0.652 0.101 2.345) 2.436 4.693 ( -0.156 -0.358 -2.124) 2.160 4.964 ( -3.189 -2.297 -2.330) 4.569 5.040 ( 2.203 -2.393 2.242) 3.950 5.301 ( -3.168 -0.624 -2.980) 4.394 5.385 ( 2.090 -0.361 2.129) 3.005 5.835 ( -3.595 1.140 -4.190) 5.638 5.884 ( 4.218 0.165 4.914) 6.478 6.654 ( -0.411 -0.381 0.303) 0.637 6.671 ( -0.051 0.127 0.020) 0.139 6.883 ( -2.177 -0.251 -2.813) 3.566 6.931 ( 2.238 0.369 1.820) 2.908 7.258 ( 0.008 0.671 0.678) 0.954 7.278 ( 0.094 0.398 -0.092) 0.419 7.475 ( -0.824 0.495 -0.638) 1.154 7.502 ( 0.637 0.065 0.500) 0.812 8.048 ( 0.109 0.219 -0.033) 0.246 8.052 ( 0.242 0.294 0.026) 0.382 16.456 ( -0.278 -0.931 0.154) 0.984 16.476 ( -0.164 0.081 -0.273) 0.328 17.115 ( -0.077 1.758 1.111) 2.081 17.198 ( 0.935 1.808 -0.898) 2.225 18.068 ( -0.128 -1.381 -0.172) 1.397 18.116 ( 1.345 -0.666 0.095) 1.504 19.061 ( -1.200 0.765 -1.040) 1.763 19.084 ( 1.368 -0.024 1.214) 1.829 19.505 ( -0.842 -0.836 -2.042) 2.362 19.548 ( 2.980 -0.728 2.377) 3.881 20.208 ( -2.511 0.842 0.902) 2.798 20.304 ( -1.032 0.466 -1.086) 1.569 ======================= Grid point 73 (26/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -4.374 4.412 -8.543) 10.563 1.034 ( -8.613 -3.505 -7.897) 12.200 1.115 ( -1.256 -0.475 -6.945) 7.073 1.201 ( -2.730 1.276 -0.395) 3.039 1.386 ( 0.937 -0.926 -0.793) 1.538 1.416 ( -0.010 -4.313 0.069) 4.314 1.489 ( 0.945 1.912 5.161) 5.584 1.590 ( -1.493 2.292 -1.187) 2.981 1.653 ( 4.023 -0.866 7.246) 8.333 1.803 ( -0.870 1.781 -3.168) 3.737 1.891 ( -3.983 -2.178 -3.188) 5.547 2.076 ( -2.605 1.387 2.122) 3.635 2.212 ( 2.794 -3.431 -4.397) 6.238 2.243 ( -1.541 2.195 -1.434) 3.041 2.377 ( 9.615 3.135 11.285) 15.154 2.445 ( -1.100 -1.765 0.888) 2.261 2.609 ( 0.107 2.063 -0.234) 2.079 2.616 ( 2.267 -0.112 4.576) 5.108 2.690 ( 0.983 1.072 1.754) 2.278 2.835 ( 1.956 -2.681 1.850) 3.799 2.880 ( 1.612 0.428 -1.502) 2.245 2.971 ( -0.567 -0.407 0.388) 0.799 3.029 ( 0.715 1.166 -0.041) 1.368 3.087 ( 0.424 -0.283 1.854) 1.923 3.250 ( 2.346 -1.488 -0.881) 2.914 3.322 ( -1.252 -1.903 -2.120) 3.112 3.462 ( -3.864 0.265 -0.782) 3.952 3.525 ( 2.681 -0.467 1.282) 3.008 3.659 ( 1.129 -0.419 0.016) 1.204 3.712 ( -1.178 1.954 0.268) 2.297 3.787 ( -2.402 1.419 0.376) 2.815 3.930 ( 1.783 -2.488 -1.288) 3.320 3.945 ( -3.331 3.344 -1.335) 4.905 4.215 ( 0.216 1.909 1.481) 2.426 4.391 ( -0.095 -2.519 -2.614) 3.631 4.492 ( 0.463 -0.792 -0.024) 0.917 4.539 ( -2.431 1.977 -1.653) 3.543 4.722 ( 1.896 -1.357 0.752) 2.449 4.947 ( -2.893 0.239 -2.265) 3.682 5.107 ( 2.451 -0.789 3.000) 3.954 5.270 ( -2.512 -0.082 -3.222) 4.086 5.414 ( 1.876 0.011 1.960) 2.713 5.774 ( -2.766 0.492 -3.157) 4.226 5.946 ( 4.246 -0.339 4.534) 6.221 6.656 ( -0.214 -0.175 -0.164) 0.321 6.667 ( 0.115 0.503 0.149) 0.537 6.860 ( -2.144 -0.518 -2.499) 3.333 6.951 ( 1.352 -0.007 1.470) 1.997 7.243 ( -0.564 0.498 -0.245) 0.791 7.281 ( 0.534 0.020 0.519) 0.745 7.455 ( -0.986 0.167 -1.072) 1.466 7.514 ( 0.885 -0.189 0.865) 1.252 8.047 ( -0.027 -0.074 0.020) 0.082 8.049 ( 0.023 0.070 -0.026) 0.078 16.462 ( -0.365 0.181 -0.199) 0.454 16.471 ( -0.064 0.158 -0.273) 0.322 17.101 ( -0.455 0.003 1.102) 1.192 17.183 ( 0.530 -0.007 -0.826) 0.982 18.083 ( -0.384 -0.521 -0.105) 0.656 18.127 ( 0.351 0.418 0.122) 0.559 19.026 ( -1.783 0.616 -1.547) 2.439 19.117 ( 2.264 -0.628 1.965) 3.063 19.492 ( -1.640 0.109 -2.048) 2.626 19.584 ( 1.374 0.106 2.016) 2.442 20.155 ( -3.103 0.939 -1.973) 3.795 20.327 ( 2.980 -1.114 1.804) 3.657 ======================= Grid point 74 (27/93) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -11.938 6.463 -10.400) 17.101 0.889 ( -12.720 3.725 -5.569) 14.376 1.089 ( -3.106 -1.010 -6.275) 7.075 1.197 ( -1.834 -1.012 1.380) 2.508 1.388 ( -1.592 8.909 5.439) 10.559 1.427 ( 2.122 1.525 -1.017) 2.804 1.492 ( 1.024 -3.576 -1.295) 3.939 1.587 ( 3.879 -2.702 -0.676) 4.776 1.739 ( 2.262 -0.330 4.141) 4.730 1.751 ( 1.367 0.299 -1.093) 1.775 1.878 ( -4.542 -0.856 -3.022) 5.523 2.053 ( -2.786 -0.736 0.872) 3.010 2.178 ( -0.570 2.489 -0.810) 2.679 2.277 ( 0.149 -2.841 -3.998) 4.907 2.381 ( 2.241 3.570 3.164) 5.270 2.497 ( 2.604 -0.594 3.244) 4.202 2.558 ( -0.079 1.986 0.453) 2.039 2.643 ( -1.638 0.338 4.195) 4.517 2.733 ( 8.502 0.716 5.143) 9.962 2.858 ( -2.975 2.134 0.482) 3.693 2.883 ( 3.538 1.195 0.886) 3.838 2.995 ( -1.144 -2.425 2.645) 3.766 3.018 ( 0.517 -1.665 -3.524) 3.932 3.122 ( 2.025 -0.497 3.115) 3.749 3.290 ( -2.437 -2.050 -0.134) 3.187 3.338 ( -1.059 -2.596 -2.894) 4.029 3.419 ( -4.145 -0.315 -1.146) 4.312 3.534 ( 1.744 2.291 1.085) 3.078 3.654 ( -1.384 3.770 1.071) 4.156 3.667 ( -1.094 -0.634 -0.342) 1.310 3.717 ( -5.098 1.179 -1.104) 5.348 3.876 ( -0.155 1.359 -1.376) 1.941 4.022 ( 5.255 -4.111 0.394) 6.684 4.194 ( 1.350 1.084 0.534) 1.811 4.412 ( -3.043 -1.760 -2.559) 4.349 4.458 ( -4.019 1.785 -0.580) 4.435 4.574 ( 8.114 -2.395 0.154) 8.462 4.754 ( 0.434 -0.899 -0.837) 1.303 4.884 ( -1.388 3.785 -0.813) 4.113 5.130 ( 2.096 1.700 1.979) 3.346 5.236 ( -1.406 0.152 -2.854) 3.185 5.437 ( 1.597 -0.041 1.517) 2.203 5.749 ( -1.221 -0.807 -1.496) 2.092 6.000 ( 2.842 -0.167 2.830) 4.014 6.653 ( 0.236 0.927 0.277) 0.996 6.662 ( 0.377 -0.294 -0.196) 0.517 6.840 ( -2.097 -0.296 -2.128) 3.002 6.969 ( 0.511 -0.522 0.967) 1.212 7.232 ( -0.531 0.161 -0.083) 0.561 7.287 ( 0.278 -0.084 0.384) 0.482 7.445 ( -0.562 -0.206 -0.699) 0.920 7.530 ( 0.646 -0.351 0.496) 0.887 8.049 ( -0.180 -0.180 -0.043) 0.258 8.050 ( -0.174 -0.340 0.037) 0.384 16.445 ( -0.397 1.035 -0.216) 1.129 16.461 ( -0.055 0.859 -0.414) 0.955 17.117 ( -0.868 -1.674 1.104) 2.186 17.200 ( 0.144 -1.864 -0.829) 2.045 18.079 ( -0.599 0.481 0.047) 0.770 18.108 ( -0.760 1.367 -0.079) 1.566 18.995 ( -1.436 0.552 -0.833) 1.749 19.163 ( 2.288 -1.409 1.330) 2.998 19.456 ( -2.208 0.968 -1.539) 2.860 19.586 ( -0.745 0.700 1.681) 1.967 20.118 ( -0.673 0.579 -1.025) 1.356 20.397 ( 4.197 -2.133 0.859) 4.786 ======================= Grid point 75 (28/93) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -10.898 6.449 -0.524) 12.674 0.649 ( -13.507 8.327 -1.307) 15.921 1.009 ( -4.376 7.309 -2.132) 8.782 1.126 ( -7.556 9.615 4.767) 13.124 1.246 ( -0.333 -4.358 0.736) 4.432 1.431 ( 3.072 0.887 -6.024) 6.820 1.581 ( 3.726 -4.339 0.577) 5.748 1.685 ( 3.069 -1.474 -5.785) 6.713 1.704 ( 0.748 1.026 -0.715) 1.457 1.823 ( -1.913 -0.478 4.332) 4.760 1.861 ( 5.391 -2.925 1.537) 6.323 2.045 ( -4.945 -1.568 -1.874) 5.515 2.133 ( 0.277 2.101 -1.615) 2.664 2.266 ( 1.176 2.154 -2.741) 3.679 2.348 ( -2.816 1.345 2.694) 4.123 2.494 ( 0.891 2.618 0.814) 2.883 2.592 ( 0.740 -1.966 8.046) 8.316 2.638 ( -2.488 -1.187 1.686) 3.232 2.744 ( -2.567 6.117 -0.697) 6.671 2.796 ( 3.819 0.507 -0.110) 3.854 2.886 ( 1.282 1.565 0.343) 2.052 3.021 ( -1.011 -1.367 0.134) 1.706 3.077 ( 1.579 -2.832 0.490) 3.279 3.173 ( -0.659 -2.496 3.655) 4.475 3.275 ( -3.005 -0.693 -1.790) 3.565 3.357 ( -2.331 -1.674 -4.486) 5.326 3.413 ( -0.324 -0.714 -0.771) 1.100 3.502 ( 0.693 1.681 0.643) 1.928 3.576 ( -2.472 2.853 2.967) 4.801 3.630 ( -5.619 0.538 -2.793) 6.298 3.702 ( 0.456 -1.726 2.776) 3.301 3.861 ( 1.189 1.164 -0.071) 1.665 4.161 ( 6.289 -4.516 1.551) 7.897 4.209 ( 4.349 0.306 0.327) 4.372 4.389 ( -4.883 -1.151 -1.793) 5.327 4.411 ( -3.191 0.348 1.863) 3.711 4.678 ( 9.688 -0.243 -2.997) 10.143 4.763 ( -0.389 -0.343 -1.839) 1.911 4.780 ( 0.436 5.681 0.410) 5.713 5.099 ( 1.282 3.288 0.312) 3.543 5.220 ( 0.278 0.002 -1.553) 1.578 5.454 ( 0.781 -0.077 0.468) 0.913 5.763 ( 0.021 -1.445 -0.188) 1.457 6.023 ( 0.839 0.129 0.693) 1.096 6.635 ( 0.173 1.230 0.427) 1.313 6.678 ( 1.144 -0.652 0.139) 1.324 6.816 ( -1.661 0.195 -1.428) 2.200 6.986 ( -0.233 -0.749 0.234) 0.819 7.228 ( -0.338 -0.075 0.412) 0.538 7.293 ( 0.191 -0.182 0.630) 0.683 7.446 ( -0.071 -0.359 -0.083) 0.375 7.542 ( 0.303 -0.370 -0.014) 0.479 8.052 ( -0.226 -0.306 -0.050) 0.384 8.056 ( -0.260 -0.440 0.042) 0.513 16.420 ( -0.208 1.222 0.085) 1.242 16.436 ( 0.080 1.450 -0.071) 1.454 17.152 ( -1.120 -2.339 1.022) 2.787 17.240 ( 0.010 -2.472 -0.883) 2.624 18.056 ( -1.184 1.456 0.477) 1.936 18.071 ( -0.971 1.206 -0.706) 1.702 18.975 ( -0.739 0.389 0.093) 0.840 19.215 ( 2.065 -1.636 0.044) 2.634 19.410 ( -2.047 1.310 -0.611) 2.506 19.570 ( -2.579 -0.055 1.719) 3.100 20.110 ( 1.107 0.446 0.714) 1.391 20.474 ( 3.840 -2.201 -0.993) 4.536 ======================= Grid point 76 (29/93) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( -3.922 8.175 10.220) 13.662 0.368 ( -8.761 9.131 8.045) 14.995 0.677 ( -8.023 17.337 14.690) 24.099 1.073 ( -2.355 -1.515 -0.502) 2.845 1.351 ( 2.811 -4.532 1.398) 5.513 1.372 ( -2.634 1.262 -11.569) 11.932 1.623 ( 5.090 3.838 5.046) 8.130 1.702 ( 4.512 -2.944 -2.477) 5.929 1.759 ( 2.107 -4.161 -2.805) 5.443 1.854 ( -3.695 -3.371 -0.616) 5.039 1.963 ( -2.089 2.541 -2.644) 4.221 2.003 ( 2.338 -2.288 2.203) 3.944 2.104 ( 0.433 0.349 -1.947) 2.025 2.209 ( 2.335 4.987 0.944) 5.587 2.317 ( -2.362 0.144 3.660) 4.358 2.451 ( 0.195 3.476 1.322) 3.724 2.607 ( -1.538 2.976 -1.040) 3.508 2.635 ( -1.881 -0.151 2.879) 3.442 2.711 ( -2.874 -5.226 2.325) 6.401 2.806 ( -0.730 -1.333 -0.451) 1.585 2.839 ( -3.024 2.012 -2.443) 4.378 3.017 ( -2.530 -0.095 -0.758) 2.643 3.160 ( 2.491 -3.364 2.349) 4.800 3.177 ( -3.682 0.214 -2.343) 4.369 3.283 ( -2.510 -1.239 -3.606) 4.565 3.330 ( -4.226 -0.676 -4.853) 6.470 3.387 ( -0.850 0.918 -3.707) 3.913 3.478 ( -0.284 1.273 0.689) 1.475 3.551 ( -2.910 -0.786 0.047) 3.014 3.607 ( 1.904 -0.175 4.683) 5.059 3.796 ( 1.762 -5.143 6.452) 8.437 3.846 ( -0.115 0.491 1.040) 1.155 4.241 ( 6.527 0.630 2.587) 7.049 4.304 ( 4.035 -4.066 1.790) 6.001 4.380 ( -2.253 -0.993 -1.033) 2.670 4.401 ( -2.274 -1.660 3.547) 4.529 4.637 ( 0.120 7.696 -1.201) 7.790 4.681 ( 7.339 7.115 -8.656) 13.394 4.790 ( 2.761 -0.019 0.696) 2.848 5.049 ( -0.094 2.187 -0.781) 2.324 5.225 ( 2.012 0.076 -0.075) 2.015 5.453 ( -0.895 -0.005 -1.171) 1.474 5.789 ( 0.478 -0.792 0.562) 1.083 6.024 ( -0.582 -0.441 -0.752) 1.048 6.618 ( 0.117 0.846 0.692) 1.099 6.699 ( 0.552 -0.557 -0.219) 0.814 6.803 ( 1.222 0.183 0.984) 1.580 6.992 ( -0.918 -0.475 -0.752) 1.278 7.232 ( -0.036 -0.128 1.047) 1.056 7.317 ( 1.816 -1.464 2.161) 3.179 7.455 ( 0.291 -0.296 0.611) 0.739 7.548 ( -0.040 -0.248 -0.464) 0.528 8.056 ( -0.105 -0.233 -0.011) 0.256 8.062 ( -0.230 -0.301 -0.000) 0.379 16.407 ( 0.320 0.704 0.997) 1.262 16.427 ( 3.365 -0.003 2.784) 4.367 17.187 ( -1.021 -1.654 0.923) 2.152 17.275 ( 0.103 -1.430 -1.048) 1.776 18.015 ( -1.809 1.255 0.282) 2.220 18.046 ( -0.096 0.694 -0.661) 0.963 18.971 ( 0.287 0.135 1.311) 1.348 19.243 ( 0.051 -0.444 -2.578) 2.617 19.377 ( -0.170 0.954 1.164) 1.515 19.570 ( -5.298 -2.695 0.484) 5.964 20.124 ( 1.570 0.192 2.794) 3.211 20.519 ( 1.791 -0.664 -3.430) 3.926 ======================= Grid point 78 (30/93) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 7.124 -0.000 15.496) 17.055 0.628 ( 11.337 -0.000 13.461) 17.599 1.023 ( 4.094 -0.000 -10.322) 11.104 1.103 ( 8.044 -0.000 -8.822) 11.938 1.268 ( 20.072 -0.000 17.097) 26.367 1.545 ( -13.440 0.000 -4.251) 14.096 1.583 ( -0.856 0.000 -5.155) 5.225 1.589 ( -0.255 0.000 0.735) 0.778 1.797 ( -3.390 0.000 -2.585) 4.263 1.839 ( 1.428 -0.000 1.780) 2.282 2.010 ( -2.595 0.000 -3.523) 4.375 2.039 ( 5.312 -0.000 -1.542) 5.531 2.211 ( 9.878 -0.000 10.019) 14.069 2.283 ( 0.131 -0.000 2.996) 2.999 2.318 ( -10.479 0.000 -7.310) 12.777 2.399 ( -0.959 0.000 -1.807) 2.045 2.474 ( -5.489 0.000 -2.997) 6.254 2.537 ( -3.226 0.000 2.514) 4.090 2.635 ( 1.686 -0.000 0.694) 1.823 2.732 ( -0.026 0.000 0.762) 0.762 2.816 ( 5.856 -0.000 4.272) 7.249 2.892 ( 1.281 -0.000 -2.330) 2.659 3.088 ( -7.425 0.000 0.519) 7.444 3.115 ( 0.322 -0.000 0.672) 0.745 3.266 ( 2.476 -0.000 -5.448) 5.985 3.320 ( 7.389 -0.000 3.469) 8.162 3.411 ( 6.523 -0.000 2.135) 6.864 3.422 ( 0.091 -0.000 -3.413) 3.414 3.624 ( -3.043 0.000 -3.482) 4.624 3.682 ( 6.066 -0.000 1.986) 6.383 3.858 ( -0.054 0.000 2.976) 2.976 3.876 ( -1.181 0.000 1.985) 2.310 4.267 ( -3.699 0.000 2.402) 4.411 4.345 ( -2.958 0.000 0.105) 2.960 4.397 ( -5.481 0.000 1.038) 5.579 4.407 ( -4.100 0.000 0.196) 4.104 4.585 ( 1.768 -0.000 -0.926) 1.995 4.609 ( 3.497 -0.000 -0.208) 3.503 4.927 ( -5.321 0.000 -3.846) 6.565 4.936 ( 3.010 -0.000 3.169) 4.370 5.314 ( 3.187 -0.000 3.845) 4.994 5.332 ( -5.455 0.000 -4.775) 7.250 5.864 ( 2.367 -0.000 3.595) 4.304 5.926 ( -3.148 0.000 -3.612) 4.792 6.627 ( -0.008 0.000 1.649) 1.649 6.674 ( -1.086 0.000 -0.962) 1.451 6.921 ( 3.451 -0.000 1.900) 3.939 6.921 ( -2.436 0.000 -3.444) 4.218 7.266 ( 0.649 -0.000 1.945) 2.051 7.343 ( -1.765 0.000 -1.392) 2.248 7.488 ( 0.917 -0.000 1.382) 1.659 7.523 ( -1.030 0.000 -1.328) 1.680 8.063 ( 0.187 -0.000 -0.127) 0.226 8.064 ( 0.508 -0.000 0.123) 0.522 16.409 ( -0.671 0.000 1.015) 1.217 16.513 ( -1.333 0.000 -2.551) 2.878 17.219 ( 0.616 -0.000 1.221) 1.368 17.287 ( 1.217 -0.000 -0.906) 1.518 18.004 ( 0.690 -0.000 -0.317) 0.760 18.056 ( 1.947 -0.000 -0.381) 1.984 19.055 ( 2.798 -0.000 3.972) 4.858 19.127 ( -3.058 0.000 -3.703) 4.802 19.470 ( 4.191 -0.000 2.783) 5.031 19.473 ( -0.453 0.000 -1.302) 1.378 20.207 ( -0.220 0.000 5.889) 5.893 20.398 ( -5.643 0.000 -5.586) 7.940 ======================= Grid point 79 (31/93) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 7.235 -5.498 10.324) 13.754 0.841 ( 8.334 -5.808 8.688) 13.366 1.026 ( 3.736 -3.428 -9.718) 10.961 1.157 ( 7.455 -2.800 -10.446) 13.135 1.385 ( -8.348 3.186 -3.281) 9.518 1.483 ( 1.170 1.397 -2.182) 2.843 1.525 ( 10.631 -0.561 5.203) 11.849 1.610 ( 2.155 4.265 5.482) 7.272 1.775 ( -2.119 -1.009 -1.550) 2.813 1.824 ( -0.747 1.505 1.796) 2.460 1.939 ( -5.820 -0.415 -6.504) 8.738 2.051 ( -4.908 1.062 -4.283) 6.600 2.187 ( -2.357 -0.588 -5.591) 6.096 2.291 ( -0.662 -0.177 1.562) 1.706 2.321 ( 5.084 0.039 7.111) 8.742 2.402 ( -1.035 -1.633 -1.452) 2.418 2.492 ( -1.918 -4.883 0.844) 5.314 2.577 ( 1.689 0.863 7.125) 7.373 2.618 ( 2.805 0.551 2.623) 3.879 2.770 ( 0.462 -1.821 -1.378) 2.331 2.870 ( 5.221 1.058 5.012) 7.314 2.943 ( 4.586 -1.166 1.111) 4.861 3.039 ( -3.465 0.477 0.735) 3.574 3.130 ( 1.673 -0.377 -0.405) 1.762 3.249 ( 1.781 0.609 -4.597) 4.968 3.363 ( 3.523 1.951 0.837) 4.113 3.428 ( 3.746 -0.316 -0.066) 3.760 3.490 ( 1.016 -0.990 -1.874) 2.350 3.607 ( 2.775 -2.689 -0.863) 3.959 3.705 ( 5.606 3.166 1.039) 6.522 3.848 ( -0.782 1.860 1.804) 2.706 3.877 ( -0.592 0.038 1.230) 1.366 4.218 ( -4.761 2.921 0.100) 5.586 4.278 ( -3.657 1.046 3.424) 5.117 4.391 ( -7.302 -2.248 -3.311) 8.327 4.414 ( -3.614 -3.201 0.581) 4.863 4.581 ( 2.216 0.646 2.598) 3.476 4.656 ( 1.346 -1.532 -2.562) 3.275 4.871 ( -5.716 -1.528 -4.478) 7.420 4.969 ( 1.567 -0.542 2.237) 2.784 5.265 ( -5.154 -0.611 -4.433) 6.826 5.366 ( 2.742 -0.561 3.445) 4.438 5.877 ( -3.044 0.735 -3.386) 4.612 5.899 ( 2.888 0.368 4.162) 5.079 6.639 ( 0.010 -0.299 1.718) 1.744 6.665 ( -0.750 -0.269 -0.694) 1.056 6.882 ( -2.572 0.067 -3.724) 4.526 6.952 ( 2.871 0.464 1.767) 3.403 7.277 ( 0.670 0.251 1.671) 1.818 7.312 ( -1.229 1.005 -1.044) 1.900 7.497 ( 0.001 0.484 0.302) 0.570 7.507 ( -0.317 0.070 -0.407) 0.521 8.061 ( 0.285 0.302 -0.116) 0.431 8.067 ( 0.584 0.327 0.110) 0.678 16.414 ( -0.834 -0.845 0.522) 1.297 16.484 ( -1.204 0.408 -1.602) 2.045 17.208 ( 0.635 2.180 1.223) 2.579 17.280 ( 1.515 1.558 -0.929) 2.363 18.017 ( 0.597 -0.886 -0.156) 1.080 18.081 ( 2.293 -0.820 -0.255) 2.449 19.084 ( -2.422 0.277 -3.054) 3.907 19.094 ( 2.628 0.375 3.591) 4.466 19.473 ( 0.392 -0.594 -1.808) 1.943 19.524 ( 4.393 -0.370 2.799) 5.222 20.227 ( -1.420 0.254 4.933) 5.139 20.317 ( -6.148 0.102 -4.964) 7.903 ======================= Grid point 80 (32/93) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 2.628 -6.072 1.587) 6.804 0.975 ( 0.686 -3.033 -3.195) 4.458 1.144 ( 6.809 -5.009 0.220) 8.456 1.182 ( -2.988 -0.830 -9.599) 10.088 1.298 ( 2.299 0.163 -3.074) 3.842 1.446 ( -1.281 2.302 0.168) 2.640 1.538 ( 1.002 2.430 0.397) 2.658 1.590 ( 0.913 1.118 1.650) 2.193 1.728 ( 2.142 3.949 2.148) 4.980 1.815 ( -9.151 -0.350 -10.492) 13.926 1.879 ( 2.933 -1.102 3.811) 4.933 2.037 ( -2.020 -3.620 -1.103) 4.289 2.159 ( -0.403 2.090 -0.592) 2.209 2.317 ( -1.124 -2.989 -0.178) 3.198 2.358 ( -2.419 1.143 -5.072) 5.735 2.430 ( 5.309 -1.685 8.481) 10.147 2.590 ( 3.178 1.355 8.700) 9.360 2.596 ( 0.866 -3.852 3.332) 5.166 2.714 ( 6.649 -0.950 4.609) 8.146 2.771 ( -2.513 -1.213 -2.852) 3.990 2.888 ( 1.025 2.174 1.647) 2.914 2.970 ( 2.149 1.205 0.960) 2.644 3.041 ( 2.252 -0.204 3.661) 4.303 3.138 ( 1.497 1.034 -1.706) 2.494 3.250 ( 2.889 -0.535 -3.819) 4.818 3.319 ( -1.915 2.577 -1.636) 3.603 3.454 ( 0.830 -0.485 -1.163) 1.508 3.501 ( 2.993 -0.575 1.302) 3.314 3.691 ( 4.996 2.937 -0.379) 5.808 3.739 ( 6.300 -4.038 1.317) 7.598 3.807 ( -0.555 2.368 1.290) 2.753 3.863 ( -1.750 -0.073 -1.288) 2.174 4.108 ( -4.271 4.381 0.076) 6.119 4.266 ( -2.329 -0.220 3.593) 4.288 4.327 ( -7.125 -0.526 -4.909) 8.668 4.438 ( -3.812 -2.552 -0.333) 4.599 4.598 ( -0.111 0.802 0.687) 1.062 4.669 ( 0.271 -0.811 -0.541) 1.012 4.861 ( -3.240 -3.665 -3.796) 6.192 5.021 ( 1.227 -2.568 2.206) 3.600 5.232 ( -3.697 -1.753 -3.433) 5.340 5.407 ( 1.778 -0.283 2.461) 3.050 5.817 ( -2.768 1.373 -2.955) 4.275 5.941 ( 3.237 0.025 4.212) 5.312 6.649 ( -0.174 -0.105 1.110) 1.129 6.665 ( -0.314 -0.473 -0.349) 0.666 6.846 ( -2.217 -0.236 -3.146) 3.856 6.968 ( 1.982 0.742 1.355) 2.513 7.275 ( -0.352 1.027 -0.055) 1.087 7.288 ( 0.307 0.342 0.440) 0.636 7.474 ( -1.059 0.681 -1.141) 1.699 7.513 ( 0.676 0.060 0.925) 1.147 8.056 ( 0.270 0.435 -0.070) 0.517 8.063 ( 0.487 0.543 0.063) 0.732 16.431 ( -0.594 -1.342 0.067) 1.469 16.469 ( -0.668 -0.207 -0.905) 1.144 17.168 ( 0.370 2.942 1.166) 3.186 17.248 ( 1.400 2.615 -0.878) 3.094 18.042 ( 0.383 -1.293 -0.021) 1.348 18.116 ( 1.979 -0.849 -0.099) 2.156 19.045 ( -1.920 0.367 -2.483) 3.160 19.121 ( 2.314 0.693 3.070) 3.906 19.480 ( 0.270 -0.592 -1.901) 2.009 19.578 ( 3.718 -0.245 2.439) 4.453 20.187 ( -5.586 0.976 -1.949) 5.997 20.289 ( -1.184 -1.129 1.651) 2.324 ======================= Grid point 81 (33/93) ======================= q-point: ( 0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -7.751 -1.209 -9.392) 12.238 1.003 ( -0.814 -1.160 -1.529) 2.085 1.077 ( -4.730 2.562 -5.835) 7.936 1.241 ( 5.623 1.292 -1.631) 5.995 1.344 ( 1.393 -2.894 -0.447) 3.242 1.405 ( 2.508 0.146 0.969) 2.692 1.507 ( -2.301 0.564 0.233) 2.380 1.627 ( 4.755 -0.487 2.392) 5.345 1.705 ( 2.275 1.390 1.218) 2.931 1.766 ( -2.749 -2.199 -2.867) 4.540 1.889 ( 0.332 2.466 1.762) 3.049 2.079 ( -3.939 -0.206 1.980) 4.413 2.115 ( -2.015 -2.576 -2.936) 4.395 2.292 ( 0.868 2.804 -3.112) 4.277 2.380 ( 1.047 -3.555 -0.646) 3.762 2.522 ( 1.741 -0.282 6.327) 6.568 2.647 ( 2.332 -1.341 6.239) 6.794 2.661 ( 1.295 3.195 -1.149) 3.634 2.703 ( 1.296 -0.861 1.827) 2.400 2.828 ( 0.982 -2.651 -0.713) 2.916 2.861 ( -1.075 1.085 3.684) 3.988 2.978 ( 3.137 0.702 2.247) 3.923 3.084 ( 1.964 2.172 0.969) 3.084 3.100 ( 0.986 0.367 0.220) 1.075 3.239 ( -1.902 0.570 -3.708) 4.206 3.287 ( 0.553 -0.916 -0.991) 1.459 3.448 ( -0.609 0.914 -0.611) 1.257 3.560 ( 4.852 -0.617 2.001) 5.285 3.677 ( 1.995 1.414 -1.264) 2.753 3.751 ( -0.029 2.623 0.120) 2.626 3.793 ( -1.894 1.188 -0.027) 2.236 3.903 ( 5.318 -3.014 -0.864) 6.173 3.984 ( -4.409 4.814 -0.388) 6.540 4.253 ( -2.331 1.188 2.743) 3.791 4.301 ( -2.652 -3.259 -3.918) 5.745 4.453 ( -1.846 -2.653 -0.169) 3.236 4.549 ( -2.144 2.025 -1.973) 3.548 4.697 ( -0.736 -1.857 0.553) 2.073 4.904 ( 0.069 -2.721 -0.831) 2.846 5.090 ( 0.014 -2.989 1.264) 3.245 5.230 ( -1.307 -1.302 -1.938) 2.676 5.430 ( 0.816 -0.199 1.325) 1.569 5.759 ( -1.825 1.235 -2.004) 2.979 5.988 ( 2.693 -0.399 3.182) 4.188 6.650 ( -0.356 -0.028 0.240) 0.430 6.670 ( -0.082 -0.219 -0.121) 0.263 6.826 ( -1.393 -0.469 -1.854) 2.366 6.972 ( 1.018 0.659 0.812) 1.459 7.252 ( -0.342 0.889 -0.357) 1.017 7.290 ( 0.385 0.225 0.538) 0.698 7.450 ( -0.691 0.486 -0.840) 1.191 7.521 ( 0.473 -0.058 0.636) 0.795 8.050 ( 0.147 0.332 -0.015) 0.364 8.056 ( 0.264 0.526 0.009) 0.588 16.450 ( -0.335 -0.995 -0.079) 1.053 16.467 ( -0.264 -0.286 -0.477) 0.616 17.125 ( -0.054 2.156 1.093) 2.418 17.207 ( 0.938 2.188 -0.837) 2.523 18.067 ( 0.111 -0.985 0.056) 0.992 18.138 ( 1.068 -0.002 -0.032) 1.068 19.016 ( -1.270 0.413 -1.300) 1.864 19.138 ( 1.581 0.315 1.740) 2.372 19.478 ( -0.197 0.067 -1.458) 1.473 19.611 ( 1.926 0.464 1.576) 2.532 20.124 ( -3.980 -0.020 -1.847) 4.387 20.323 ( 0.623 -1.756 1.596) 2.453 ======================= Grid point 82 (34/93) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -6.128 3.739 -5.608) 9.110 0.926 ( -3.643 5.747 0.453) 6.819 1.029 ( -1.335 -1.001 -2.643) 3.126 1.214 ( 1.142 3.191 0.688) 3.458 1.404 ( 0.470 -3.826 -5.163) 6.443 1.454 ( 4.717 -0.159 0.854) 4.796 1.524 ( 0.865 -0.069 4.760) 4.838 1.624 ( 2.350 3.648 -1.323) 4.537 1.732 ( -0.224 -2.640 0.904) 2.799 1.766 ( 0.921 1.445 -1.923) 2.575 1.854 ( -1.005 0.917 3.732) 3.972 2.026 ( -4.717 0.768 0.857) 4.855 2.183 ( 0.005 -4.734 -1.212) 4.887 2.229 ( -0.383 2.797 -2.106) 3.522 2.444 ( 2.474 -0.557 0.603) 2.607 2.537 ( 0.337 1.019 4.180) 4.315 2.578 ( -1.012 1.942 -3.695) 4.295 2.688 ( 1.248 2.105 3.901) 4.605 2.783 ( 2.833 -2.422 1.281) 3.941 2.832 ( -5.508 -1.190 -0.261) 5.641 2.874 ( 0.814 -1.960 -0.703) 2.236 3.006 ( -1.286 1.150 -4.200) 4.540 3.022 ( 4.385 2.864 5.111) 7.318 3.136 ( 0.999 -0.696 1.220) 1.724 3.211 ( -3.713 -2.007 -2.064) 4.698 3.311 ( 1.036 -0.922 -0.387) 1.440 3.409 ( -0.311 2.200 -0.289) 2.241 3.602 ( 4.324 1.159 0.117) 4.478 3.645 ( -3.303 0.726 -1.583) 3.734 3.696 ( -0.997 2.826 0.095) 2.998 3.751 ( -0.548 3.358 2.374) 4.148 3.882 ( -1.827 1.181 -1.031) 2.407 4.015 ( 7.617 -2.840 1.073) 8.199 4.223 ( -1.782 0.773 1.492) 2.449 4.315 ( -3.907 -2.661 -3.154) 5.683 4.470 ( -1.846 1.779 0.039) 2.564 4.553 ( 3.676 -4.585 -0.393) 5.890 4.720 ( -1.665 -1.655 -0.676) 2.443 4.929 ( 0.842 0.834 0.228) 1.207 5.140 ( -0.389 -1.982 0.777) 2.164 5.230 ( 0.403 0.362 -0.942) 1.087 5.443 ( 0.161 -0.391 0.313) 0.526 5.730 ( -0.399 0.111 -0.594) 0.724 6.021 ( 0.913 -0.303 0.915) 1.327 6.652 ( -0.047 -0.468 -0.012) 0.471 6.669 ( -0.007 0.314 0.059) 0.320 6.819 ( -0.497 -0.154 -0.641) 0.826 6.971 ( 0.176 0.190 0.232) 0.348 7.235 ( -0.207 0.542 -0.021) 0.581 7.291 ( 0.088 0.093 0.248) 0.279 7.438 ( -0.116 0.083 -0.243) 0.282 7.529 ( 0.152 -0.240 0.133) 0.313 8.047 ( -0.008 0.060 0.021) 0.064 8.050 ( 0.050 0.284 -0.024) 0.290 16.455 ( -0.232 0.248 0.041) 0.342 16.468 ( 0.058 0.021 -0.162) 0.173 17.103 ( -0.487 0.371 1.009) 1.180 17.184 ( 0.479 0.353 -0.851) 1.038 18.079 ( -0.077 -0.183 0.087) 0.217 18.131 ( 0.010 1.240 -0.060) 1.241 18.995 ( -0.652 0.565 -0.156) 0.877 19.157 ( 0.841 -0.815 0.243) 1.196 19.460 ( -0.374 1.021 -0.508) 1.201 19.606 ( -0.293 1.277 0.614) 1.447 20.107 ( -0.865 -0.711 -0.002) 1.120 20.376 ( 1.290 -2.580 -0.070) 2.885 ======================= Grid point 83 (35/93) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 5.040 5.823 9.794) 12.460 0.760 ( -2.773 9.607 1.818) 10.164 1.025 ( 0.986 0.636 -0.381) 1.233 1.194 ( 0.146 -0.075 2.261) 2.267 1.380 ( -3.593 11.483 1.752) 12.159 1.412 ( -0.108 0.790 -7.011) 7.056 1.523 ( 1.626 -3.627 -1.839) 4.380 1.669 ( 4.260 -2.281 0.951) 4.924 1.743 ( 2.897 0.872 0.274) 3.038 1.779 ( -1.852 -2.597 -1.547) 3.545 1.875 ( 1.583 -0.461 6.559) 6.763 1.980 ( -3.898 -0.207 -2.015) 4.393 2.164 ( -1.370 2.063 -1.318) 2.806 2.267 ( 2.572 -2.695 0.581) 3.771 2.415 ( -1.081 4.244 3.631) 5.689 2.535 ( -0.663 -0.342 -0.628) 0.975 2.587 ( 3.825 -1.397 -0.449) 4.097 2.641 ( -2.058 3.343 2.522) 4.666 2.744 ( -7.726 1.566 -1.967) 8.125 2.854 ( 1.616 -0.401 -1.768) 2.429 2.896 ( -0.116 1.419 -5.810) 5.982 2.960 ( -3.734 -3.032 -0.869) 4.887 3.050 ( 2.248 -0.636 2.676) 3.553 3.154 ( -1.057 -0.609 1.700) 2.092 3.225 ( -0.809 -1.810 -2.031) 2.838 3.304 ( -1.476 0.103 -5.286) 5.490 3.392 ( 0.402 -0.115 1.502) 1.559 3.567 ( -0.285 3.119 -1.967) 3.699 3.607 ( -0.057 2.043 1.228) 2.384 3.653 ( -0.224 3.719 2.851) 4.691 3.695 ( -0.170 -0.300 3.454) 3.471 3.880 ( 0.860 0.197 -0.924) 1.278 4.139 ( 5.370 -3.831 1.537) 6.774 4.226 ( -0.876 -1.791 0.735) 2.125 4.322 ( -0.808 -1.370 -0.188) 1.601 4.425 ( -1.141 1.938 3.441) 4.111 4.673 ( 3.969 -4.398 -3.478) 6.869 4.731 ( -0.787 -1.483 -1.134) 2.026 4.885 ( 0.345 4.275 0.469) 4.314 5.147 ( -0.768 1.228 -0.814) 1.662 5.226 ( 1.687 0.287 0.781) 1.881 5.448 ( -0.648 -0.381 -0.881) 1.158 5.741 ( 0.631 -1.075 0.671) 1.416 6.021 ( -1.191 -0.048 -1.560) 1.963 6.658 ( -0.010 0.846 0.250) 0.882 6.668 ( 0.284 -0.899 0.075) 0.945 6.817 ( 0.702 0.318 0.571) 0.959 6.970 ( -0.551 -0.337 -0.503) 0.818 7.229 ( -0.028 0.119 0.531) 0.545 7.292 ( -0.064 -0.200 0.237) 0.317 7.442 ( 0.369 -0.256 0.416) 0.612 7.534 ( -0.194 -0.387 -0.424) 0.606 8.047 ( -0.053 -0.064 -0.001) 0.083 8.048 ( -0.073 -0.214 -0.004) 0.226 16.443 ( 0.171 0.949 0.577) 1.124 16.461 ( 0.281 0.829 0.213) 0.901 17.112 ( -0.762 -1.387 0.911) 1.827 17.196 ( 0.290 -1.637 -0.931) 1.905 18.073 ( -0.131 0.742 0.112) 0.762 18.095 ( -0.476 2.067 -0.143) 2.126 18.984 ( 0.129 0.534 0.911) 1.064 19.184 ( -0.174 -1.835 -1.533) 2.398 19.433 ( 0.288 1.677 0.816) 1.887 19.572 ( -1.645 1.457 0.072) 2.199 20.125 ( 0.974 -0.462 1.865) 2.154 20.435 ( 0.666 -3.044 -2.032) 3.720 ======================= Grid point 84 (36/93) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 0.868 11.472 3.863) 12.136 0.641 ( 12.896 8.222 15.535) 21.800 0.995 ( 2.518 8.593 5.223) 10.367 1.097 ( -0.383 7.149 3.150) 7.822 1.305 ( 2.867 -2.824 0.996) 4.146 1.339 ( -0.381 1.557 -7.137) 7.315 1.584 ( -4.565 -5.428 -4.143) 8.214 1.701 ( -4.001 -0.833 -2.977) 5.056 1.759 ( 5.300 1.391 3.878) 6.713 1.820 ( 3.781 -1.049 1.603) 4.238 1.963 ( 2.795 -1.846 0.502) 3.387 1.966 ( 0.187 -2.384 2.667) 3.582 2.101 ( -2.747 1.594 -4.048) 5.145 2.322 ( 1.165 3.265 4.834) 5.949 2.350 ( 1.909 0.957 3.982) 4.518 2.535 ( 0.686 2.920 1.804) 3.500 2.587 ( -2.953 -2.179 -1.068) 3.822 2.608 ( -8.526 0.874 -4.748) 9.798 2.647 ( 0.722 0.607 1.047) 1.409 2.791 ( -3.257 2.375 -5.159) 6.547 2.852 ( -1.405 1.588 -2.739) 3.464 2.974 ( -1.027 -1.360 -2.883) 3.349 3.120 ( 0.837 -3.003 1.468) 3.446 3.151 ( -2.086 0.148 1.603) 2.635 3.224 ( -2.404 -0.763 -2.727) 3.714 3.268 ( -0.387 -0.549 -7.574) 7.604 3.408 ( 1.208 0.690 1.392) 1.968 3.510 ( 0.761 1.037 -0.483) 1.375 3.545 ( -1.309 3.363 1.024) 3.751 3.644 ( 2.707 0.422 1.867) 3.315 3.759 ( 0.943 -2.971 4.836) 5.753 3.862 ( -0.419 1.070 -0.264) 1.179 4.258 ( 1.699 -3.420 0.964) 3.939 4.265 ( -3.590 -4.314 2.049) 5.974 4.341 ( 4.517 1.143 1.909) 5.035 4.425 ( 1.371 0.299 5.233) 5.418 4.710 ( -2.707 0.374 -7.390) 7.879 4.737 ( 1.071 1.375 -2.515) 3.060 4.821 ( 2.627 1.940 3.209) 4.579 5.084 ( -1.960 2.895 -2.473) 4.282 5.252 ( 2.974 0.078 2.019) 3.595 5.432 ( -2.162 0.157 -2.438) 3.262 5.779 ( 1.146 -1.339 1.672) 2.429 5.996 ( -2.497 -0.256 -2.992) 3.905 6.640 ( -0.095 1.047 0.595) 1.208 6.685 ( -0.178 -0.724 -0.323) 0.813 6.832 ( 2.687 0.073 2.016) 3.360 6.967 ( -1.272 -0.515 -1.512) 2.042 7.235 ( 0.270 -0.202 1.231) 1.276 7.305 ( 0.126 -1.102 0.616) 1.268 7.456 ( 0.627 -0.356 0.962) 1.202 7.536 ( -0.494 -0.434 -0.873) 1.093 8.051 ( 0.063 -0.278 0.028) 0.286 8.053 ( -0.060 -0.372 -0.037) 0.379 16.431 ( 0.200 1.063 0.922) 1.421 16.458 ( 1.590 0.100 1.397) 2.119 17.146 ( -0.625 -2.233 0.925) 2.497 17.234 ( 0.389 -2.358 -1.074) 2.620 18.042 ( -0.588 2.056 0.213) 2.149 18.064 ( 0.696 1.177 -0.287) 1.397 18.989 ( 1.128 0.210 2.103) 2.396 19.197 ( -1.986 -1.524 -3.576) 4.365 19.418 ( 1.928 1.477 2.099) 3.210 19.531 ( -2.279 1.003 -0.257) 2.503 20.153 ( 1.197 -0.050 3.677) 3.867 20.471 ( -1.295 -2.369 -4.103) 4.911 ======================= Grid point 87 (37/93) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 7.020 -0.000 14.066) 15.721 0.875 ( 4.468 -0.000 -2.959) 5.359 1.003 ( 7.329 -0.000 3.057) 7.941 1.138 ( 5.857 -0.000 -10.916) 12.388 1.315 ( -8.814 0.000 -1.566) 8.952 1.493 ( 4.756 -0.000 -8.041) 9.342 1.563 ( -4.057 0.000 -7.742) 8.740 1.684 ( -0.772 0.000 4.230) 4.300 1.811 ( 9.404 -0.000 9.636) 13.464 1.818 ( -8.723 0.000 -7.771) 11.682 1.871 ( -0.195 0.000 -1.017) 1.036 2.064 ( 2.997 -0.000 -2.601) 3.968 2.085 ( -4.208 0.000 -4.683) 6.296 2.303 ( 2.091 -0.000 1.667) 2.674 2.334 ( -1.549 0.000 -3.823) 4.125 2.383 ( -1.463 0.000 5.119) 5.324 2.430 ( -1.248 0.000 1.129) 1.683 2.661 ( 8.430 -0.000 6.775) 10.815 2.679 ( -1.350 0.000 2.337) 2.699 2.762 ( 4.052 -0.000 4.973) 6.415 2.949 ( 2.663 -0.000 5.971) 6.538 3.002 ( 8.083 -0.000 6.431) 10.329 3.028 ( -0.754 0.000 0.267) 0.800 3.132 ( 1.475 -0.000 -1.933) 2.431 3.237 ( -0.224 0.000 -4.649) 4.654 3.423 ( -0.852 0.000 -0.195) 0.874 3.434 ( 5.185 -0.000 -4.005) 6.551 3.505 ( 3.491 -0.000 0.513) 3.528 3.608 ( 5.609 -0.000 1.482) 5.801 3.783 ( 3.426 -0.000 -0.755) 3.508 3.867 ( -0.602 0.000 0.887) 1.072 3.874 ( -0.111 0.000 0.726) 0.734 4.211 ( -4.521 0.000 1.227) 4.684 4.275 ( -5.577 0.000 -1.455) 5.764 4.312 ( -5.981 0.000 2.208) 6.375 4.315 ( -4.886 0.000 -0.834) 4.956 4.596 ( 0.851 -0.000 -0.751) 1.135 4.662 ( 3.459 -0.000 -0.802) 3.551 4.782 ( -6.296 0.000 -4.098) 7.512 4.977 ( -0.337 0.000 1.422) 1.462 5.190 ( -5.453 0.000 -4.294) 6.941 5.399 ( 2.333 -0.000 3.174) 3.939 5.846 ( -2.652 0.000 -2.559) 3.685 5.942 ( 2.237 -0.000 3.640) 4.272 6.648 ( 0.351 -0.000 2.205) 2.232 6.652 ( -0.641 0.000 -0.761) 0.994 6.842 ( -2.528 0.000 -3.793) 4.559 6.986 ( 2.262 -0.000 1.376) 2.648 7.292 ( 0.528 -0.000 1.306) 1.409 7.305 ( -1.157 0.000 -1.187) 1.657 7.490 ( -1.193 0.000 -1.286) 1.754 7.514 ( 0.687 -0.000 1.075) 1.276 8.067 ( 0.385 -0.000 -0.107) 0.399 8.076 ( 0.672 -0.000 0.103) 0.680 16.399 ( -0.988 0.000 0.179) 1.004 16.465 ( -1.472 0.000 -1.859) 2.371 17.242 ( 0.648 -0.000 1.093) 1.271 17.306 ( 1.813 -0.000 -0.849) 2.002 18.014 ( 0.712 -0.000 0.011) 0.712 18.093 ( 2.556 -0.000 -0.252) 2.568 19.053 ( -1.919 0.000 -2.805) 3.399 19.140 ( 2.504 -0.000 3.663) 4.437 19.466 ( 1.065 -0.000 -1.845) 2.131 19.574 ( 4.648 -0.000 2.888) 5.472 20.230 ( -7.446 0.000 -5.288) 9.133 20.242 ( -1.892 0.000 5.101) 5.441 ======================= Grid point 88 (38/93) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 3.868 0.163 6.969) 7.972 0.895 ( -0.147 -3.362 -5.320) 6.295 1.127 ( 3.389 -0.380 -2.606) 4.292 1.154 ( 6.819 -2.239 2.984) 7.772 1.277 ( -0.695 -2.100 -0.938) 2.402 1.436 ( -5.829 1.415 -7.118) 9.309 1.514 ( -0.547 -1.347 -5.812) 5.991 1.642 ( -4.134 -0.375 -5.573) 6.949 1.752 ( 2.184 3.368 1.667) 4.347 1.835 ( 0.258 2.877 0.063) 2.890 1.915 ( 5.139 0.728 3.374) 6.190 1.970 ( -1.957 0.325 -0.195) 1.993 2.172 ( 3.187 -1.757 -2.081) 4.193 2.285 ( -2.162 1.240 0.936) 2.662 2.347 ( 1.961 0.127 -3.587) 4.090 2.398 ( -0.379 -3.843 2.998) 4.889 2.516 ( 0.876 -6.550 3.694) 7.570 2.651 ( -1.840 1.174 2.636) 3.422 2.719 ( -1.097 -0.627 -2.093) 2.445 2.845 ( 8.815 1.731 9.112) 12.796 2.961 ( 1.240 2.667 2.891) 4.124 3.023 ( 1.197 1.119 3.447) 3.817 3.106 ( 5.780 0.330 6.190) 8.475 3.138 ( 1.645 -0.340 -3.971) 4.312 3.220 ( -0.611 -1.200 -2.778) 3.087 3.355 ( -2.677 3.704 -1.636) 4.854 3.461 ( 3.927 0.252 -2.494) 4.659 3.536 ( 3.215 0.124 1.370) 3.497 3.719 ( 7.225 -4.268 1.498) 8.524 3.773 ( 0.623 1.206 -1.412) 1.959 3.852 ( 0.763 1.890 0.017) 2.038 3.862 ( 0.318 2.117 -0.836) 2.298 4.148 ( -2.714 2.748 -0.620) 3.912 4.225 ( -5.833 0.050 -3.246) 6.676 4.251 ( -5.131 -1.185 2.871) 5.998 4.336 ( -5.544 -3.574 0.023) 6.596 4.599 ( -0.036 0.342 -1.330) 1.374 4.678 ( 0.589 0.706 0.848) 1.251 4.756 ( -1.207 -3.453 -2.731) 4.565 4.988 ( -1.127 -1.524 0.854) 2.079 5.151 ( -3.604 -1.891 -2.562) 4.809 5.427 ( 1.133 -0.020 1.836) 2.158 5.808 ( -2.035 0.900 -1.776) 2.847 5.974 ( 1.547 -0.267 2.655) 3.084 6.649 ( -0.336 -0.543 -0.630) 0.897 6.658 ( 0.112 0.244 1.449) 1.473 6.810 ( -1.647 -0.258 -2.441) 2.956 7.001 ( 1.441 0.592 0.908) 1.803 7.285 ( -0.582 0.651 -0.885) 1.243 7.299 ( 0.324 0.164 0.692) 0.782 7.471 ( -0.876 0.442 -0.969) 1.379 7.523 ( 0.392 0.058 0.736) 0.836 8.066 ( 0.374 0.344 -0.055) 0.511 8.078 ( 0.568 0.420 0.051) 0.708 16.402 ( -0.655 -1.006 -0.069) 1.202 16.451 ( -0.832 -0.360 -1.270) 1.560 17.228 ( 0.422 2.268 1.037) 2.529 17.300 ( 1.631 1.765 -0.846) 2.548 18.028 ( 0.609 -0.739 0.276) 0.996 18.119 ( 2.179 -0.603 -0.278) 2.278 19.027 ( -1.093 0.198 -1.906) 2.206 19.166 ( 1.555 0.650 2.551) 3.057 19.471 ( 1.234 -0.219 -1.424) 1.897 19.622 ( 3.911 0.183 2.339) 4.560 20.138 ( -6.396 0.719 -3.529) 7.340 20.260 ( -2.257 -1.468 3.106) 4.111 ======================= Grid point 89 (39/93) ======================= q-point: ( 0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -0.953 2.539 0.721) 2.806 0.942 ( -1.149 -3.375 -0.859) 3.667 1.087 ( -0.096 2.752 -3.243) 4.255 1.274 ( 6.390 -2.586 -0.856) 6.946 1.331 ( -0.042 0.002 -3.611) 3.611 1.384 ( 0.363 -3.515 2.712) 4.454 1.515 ( 0.773 0.827 -0.747) 1.357 1.633 ( -2.590 -3.659 0.023) 4.482 1.738 ( 7.444 2.866 1.941) 8.210 1.773 ( -1.027 3.052 -1.255) 3.456 1.934 ( 2.120 0.160 -0.164) 2.132 1.999 ( -1.249 -2.771 0.803) 3.144 2.116 ( -4.586 4.109 0.665) 6.193 2.298 ( 0.654 -1.386 -2.175) 2.661 2.363 ( 5.089 -0.632 -1.943) 5.484 2.485 ( -1.482 -3.818 2.467) 4.781 2.636 ( -4.057 -0.628 -0.846) 4.191 2.663 ( 0.627 -4.740 1.029) 4.891 2.686 ( -0.660 -0.456 1.569) 1.762 2.857 ( 1.034 3.461 -0.439) 3.639 2.921 ( -0.034 3.452 3.368) 4.823 3.060 ( 3.820 -0.039 5.554) 6.741 3.096 ( -0.582 2.272 -5.377) 5.867 3.146 ( 2.861 1.353 2.596) 4.093 3.228 ( -1.000 0.972 -3.697) 3.951 3.278 ( -0.364 0.570 3.135) 3.208 3.472 ( 2.551 0.796 -1.203) 2.931 3.578 ( 1.954 -1.409 2.206) 3.267 3.746 ( 2.518 3.500 -2.181) 4.832 3.768 ( -3.044 1.570 -1.718) 3.832 3.835 ( 3.475 2.714 -0.436) 4.431 3.886 ( 6.942 -4.911 0.344) 8.510 4.044 ( -3.580 5.107 -0.016) 6.237 4.189 ( -4.951 -1.339 -2.853) 5.869 4.255 ( -2.059 -1.886 2.047) 3.461 4.364 ( -3.978 -4.050 0.148) 5.679 4.565 ( -0.593 1.907 -1.393) 2.435 4.667 ( -1.417 -0.220 0.903) 1.694 4.841 ( 1.924 -4.525 -0.088) 4.918 5.025 ( -1.391 -3.209 0.402) 3.520 5.175 ( -0.693 -2.964 -0.606) 3.103 5.436 ( -0.021 0.022 0.481) 0.482 5.766 ( -0.877 1.371 -0.803) 1.815 6.001 ( 0.476 -0.662 1.040) 1.322 6.652 ( -0.535 0.371 -0.032) 0.652 6.658 ( -0.104 -0.731 -0.455) 0.867 6.805 ( -0.092 -0.462 -0.057) 0.475 6.998 ( 0.578 0.965 0.358) 1.180 7.264 ( -0.161 0.856 -0.569) 1.040 7.299 ( 0.074 0.256 0.205) 0.337 7.453 ( -0.264 0.566 -0.418) 0.752 7.526 ( 0.049 0.051 0.298) 0.306 8.060 ( 0.253 0.527 0.008) 0.584 8.071 ( 0.331 0.691 -0.009) 0.766 16.423 ( -0.246 -1.509 -0.029) 1.529 16.453 ( -0.210 -0.687 -0.662) 0.977 17.182 ( 0.012 3.153 1.016) 3.313 17.262 ( 1.117 2.924 -0.883) 3.253 18.051 ( 0.387 -1.008 0.483) 1.183 18.143 ( 1.263 -0.422 -0.379) 1.385 19.010 ( -0.317 0.295 -0.730) 0.849 19.166 ( 0.367 0.903 0.905) 1.330 19.478 ( 1.085 0.072 -0.551) 1.219 19.646 ( 1.806 0.843 0.923) 2.196 20.078 ( -3.467 -0.374 -1.233) 3.699 20.288 ( -1.541 -2.217 1.105) 2.918 ======================= Grid point 90 (40/93) ======================= q-point: ( 0.62 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 4.544 2.638 6.508) 8.364 0.988 ( 0.185 -0.625 2.829) 2.903 1.018 ( 1.143 2.805 -0.376) 3.052 1.315 ( 0.071 -0.902 -2.091) 2.278 1.323 ( 4.401 2.379 -4.894) 6.999 1.481 ( 1.743 -2.236 4.818) 5.590 1.512 ( -0.386 -1.099 1.017) 1.546 1.662 ( -1.129 0.375 -1.708) 2.082 1.724 ( -0.418 0.436 0.984) 1.155 1.782 ( 4.683 -0.421 2.399) 5.279 1.909 ( 0.308 3.082 0.415) 3.125 2.010 ( -4.997 2.304 -0.736) 5.552 2.081 ( 1.001 -5.289 0.636) 5.420 2.272 ( -0.407 2.656 -1.739) 3.200 2.440 ( 4.238 -2.695 -0.015) 5.022 2.529 ( -3.082 -1.878 1.404) 3.872 2.569 ( -3.007 0.530 -6.357) 7.053 2.708 ( -0.271 -1.580 1.591) 2.259 2.760 ( -1.239 -1.905 1.812) 2.906 2.803 ( -0.074 1.927 0.339) 1.958 2.860 ( -2.327 0.913 -1.328) 2.831 2.986 ( -4.731 2.705 -7.019) 8.886 3.105 ( 2.009 -0.457 -2.492) 3.234 3.166 ( -1.907 -0.042 -0.441) 1.958 3.169 ( 3.055 3.440 6.085) 7.629 3.307 ( 1.184 -0.313 1.987) 2.334 3.461 ( 1.599 1.968 -0.096) 2.537 3.615 ( -1.931 -0.852 0.006) 2.110 3.664 ( 2.669 3.174 -2.070) 4.635 3.754 ( 0.455 1.063 -0.509) 1.263 3.809 ( 2.849 2.384 1.908) 4.176 3.915 ( -3.025 4.727 0.650) 5.649 4.037 ( 8.206 -3.391 0.147) 8.881 4.148 ( -8.202 -1.627 -1.510) 8.497 4.285 ( 1.325 -0.644 0.769) 1.661 4.434 ( -0.989 -5.401 -0.310) 5.500 4.527 ( 0.687 1.404 0.669) 1.700 4.676 ( -0.987 -1.355 0.431) 1.730 4.921 ( 0.692 -2.387 0.043) 2.486 5.086 ( -0.346 -3.442 1.045) 3.614 5.222 ( 0.764 -1.702 0.133) 1.870 5.434 ( -0.786 -0.230 -0.642) 1.040 5.741 ( 0.620 0.990 0.493) 1.268 6.010 ( -1.370 -0.573 -1.402) 2.042 6.645 ( -0.319 -0.230 -0.149) 0.421 6.667 ( -0.037 -0.396 -0.286) 0.490 6.819 ( 0.988 -0.174 1.293) 1.636 6.981 ( -0.194 0.877 -0.251) 0.932 7.247 ( 0.049 0.778 -0.141) 0.792 7.293 ( -0.227 0.210 -0.174) 0.355 7.444 ( 0.383 0.382 0.277) 0.608 7.525 ( -0.312 -0.065 -0.248) 0.404 8.052 ( 0.095 0.447 0.046) 0.459 8.059 ( 0.098 0.658 -0.042) 0.666 16.447 ( -0.023 -1.011 0.144) 1.021 16.462 ( 0.131 -0.546 -0.227) 0.606 17.131 ( -0.413 2.391 0.962) 2.610 17.212 ( 0.625 2.468 -0.910) 2.704 18.073 ( 0.209 -0.671 0.588) 0.916 18.147 ( 0.266 0.475 -0.488) 0.731 19.003 ( 0.353 0.415 0.431) 0.695 19.153 ( -0.629 0.297 -0.706) 0.991 19.480 ( 1.047 0.705 0.528) 1.368 19.630 ( -0.531 1.439 -0.501) 1.613 20.083 ( 0.005 -1.440 1.219) 1.887 20.325 ( -0.986 -2.766 -0.944) 3.085 ======================= Grid point 91 (41/93) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 12.695 2.911 13.722) 18.919 0.930 ( 2.179 6.898 2.143) 7.544 1.060 ( 5.095 -0.502 4.073) 6.542 1.248 ( 0.365 3.643 2.110) 4.226 1.349 ( 0.536 -1.500 -6.587) 6.777 1.471 ( -2.102 0.505 -2.816) 3.550 1.514 ( -4.504 2.688 0.905) 5.323 1.657 ( -2.261 -0.430 2.159) 3.155 1.744 ( 3.639 -1.662 0.948) 4.111 1.805 ( 2.862 2.334 0.850) 3.790 1.895 ( 0.184 -1.200 4.957) 5.103 1.946 ( -1.797 0.608 -1.973) 2.738 2.161 ( -0.725 -0.323 -5.055) 5.117 2.238 ( 1.107 -2.006 4.138) 4.730 2.481 ( -0.621 1.313 2.075) 2.533 2.508 ( -0.962 -0.102 -3.547) 3.677 2.549 ( -4.400 -1.880 -5.732) 7.467 2.674 ( -0.356 2.335 0.032) 2.363 2.755 ( -2.171 1.029 0.734) 2.512 2.802 ( -3.550 -2.493 -1.943) 4.753 2.866 ( -2.065 2.767 -4.887) 5.984 2.887 ( 1.564 -3.170 -1.678) 3.913 3.111 ( -1.128 2.008 0.247) 2.316 3.118 ( -0.028 -1.577 -1.992) 2.540 3.186 ( 0.023 0.629 1.441) 1.572 3.304 ( 0.508 1.674 -1.875) 2.565 3.433 ( 1.088 1.980 2.303) 3.226 3.583 ( -0.911 1.163 -2.233) 2.678 3.674 ( 2.139 -0.460 1.847) 2.863 3.710 ( 1.825 3.959 1.132) 4.504 3.761 ( -1.907 4.589 3.340) 5.988 3.881 ( 1.568 -0.348 0.115) 1.611 4.106 ( -4.698 -2.148 -0.124) 5.167 4.153 ( 2.119 -3.272 -1.095) 4.049 4.332 ( 4.186 -1.206 3.074) 5.332 4.480 ( 1.162 1.166 2.484) 2.980 4.562 ( -1.225 -4.896 -2.569) 5.663 4.702 ( 0.548 -1.704 -0.676) 1.913 4.941 ( 0.470 0.918 1.164) 1.555 5.131 ( -1.353 -1.257 -0.874) 2.043 5.253 ( 2.129 -0.266 1.808) 2.806 5.426 ( -1.386 -0.409 -1.679) 2.215 5.747 ( 1.809 0.053 1.894) 2.620 5.986 ( -3.134 -0.352 -3.670) 4.839 6.655 ( 0.149 -0.780 0.236) 0.829 6.667 ( -0.115 0.191 -0.093) 0.242 6.838 ( 1.812 0.137 1.915) 2.640 6.962 ( -0.886 0.416 -1.012) 1.408 7.237 ( 0.219 0.410 0.458) 0.653 7.287 ( -0.401 -0.048 -0.354) 0.537 7.448 ( 0.789 0.058 0.894) 1.193 7.521 ( -0.626 -0.250 -0.808) 1.052 8.047 ( -0.004 0.159 0.036) 0.163 8.050 ( 0.009 0.333 -0.033) 0.334 16.458 ( 0.237 0.075 0.461) 0.524 16.470 ( 0.188 -0.124 0.046) 0.230 17.102 ( -0.634 0.543 0.890) 1.221 17.183 ( 0.431 0.508 -0.937) 1.150 18.083 ( 0.183 0.085 0.534) 0.571 18.126 ( -0.188 1.491 -0.484) 1.579 19.004 ( 0.963 0.540 1.406) 1.787 19.142 ( -1.389 -0.812 -2.043) 2.600 19.476 ( 1.537 1.295 1.582) 2.558 19.587 ( -1.413 1.611 -1.133) 2.424 20.128 ( 1.526 -1.314 2.830) 3.473 20.362 ( -1.395 -3.057 -2.714) 4.320 ======================= Grid point 92 (42/93) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 5.284 9.985 1.946) 11.464 0.964 ( 13.644 5.882 11.832) 18.994 1.121 ( 6.151 1.008 2.448) 6.696 1.213 ( 0.175 3.176 -0.854) 3.293 1.307 ( 1.858 1.053 -3.285) 3.918 1.402 ( -1.681 4.746 3.511) 6.138 1.460 ( -2.221 -1.708 -0.850) 2.928 1.615 ( -8.731 -0.644 -2.770) 9.182 1.791 ( -0.376 -1.147 2.461) 2.741 1.832 ( 0.960 -1.032 1.383) 1.974 1.953 ( 3.872 -1.837 -0.351) 4.300 1.987 ( 5.643 -2.232 8.262) 10.251 2.090 ( -1.180 2.254 -5.826) 6.357 2.340 ( 0.205 -4.197 2.637) 4.961 2.386 ( -8.434 2.742 -4.024) 9.739 2.486 ( -4.560 0.993 -2.452) 5.272 2.527 ( 2.176 -1.962 -1.407) 3.250 2.634 ( -0.629 4.159 0.310) 4.217 2.699 ( -4.418 2.364 -0.313) 5.020 2.764 ( 1.032 0.158 -2.615) 2.816 2.851 ( 1.669 -0.170 -2.194) 2.762 2.941 ( 0.399 -1.290 -1.996) 2.410 3.096 ( 0.359 -1.051 1.546) 1.904 3.118 ( -5.246 0.093 0.116) 5.248 3.194 ( 2.318 -2.668 -3.761) 5.161 3.255 ( 2.396 2.597 -3.593) 5.040 3.443 ( 1.810 0.410 3.534) 3.992 3.531 ( -1.625 1.770 -0.920) 2.573 3.639 ( 0.529 4.901 0.656) 4.973 3.692 ( 2.355 2.116 0.320) 3.182 3.739 ( 0.260 -1.727 4.145) 4.498 3.879 ( 0.805 1.102 -0.823) 1.594 4.140 ( -5.560 -5.127 1.729) 7.758 4.220 ( 1.096 -2.566 1.090) 2.996 4.407 ( 4.995 -0.575 2.463) 5.599 4.480 ( 1.839 1.499 4.339) 4.945 4.600 ( -4.841 -3.307 -5.317) 7.914 4.731 ( 0.308 -1.091 -2.798) 3.019 4.920 ( 2.426 3.144 3.881) 5.553 5.093 ( -3.130 1.793 -3.498) 5.024 5.291 ( 2.890 -0.081 3.143) 4.270 5.403 ( -2.339 0.218 -2.860) 3.701 5.784 ( 2.566 -0.704 3.164) 4.134 5.944 ( -3.779 -0.539 -4.587) 5.968 6.658 ( -0.272 0.669 0.254) 0.765 6.671 ( 0.032 -0.630 0.092) 0.637 6.865 ( 2.676 -0.036 2.309) 3.535 6.941 ( -1.549 -0.027 -1.982) 2.515 7.241 ( 0.471 -0.106 1.159) 1.255 7.288 ( -0.413 -0.600 -0.325) 0.797 7.462 ( 0.889 -0.208 1.258) 1.555 7.517 ( -0.827 -0.425 -1.207) 1.524 8.047 ( 0.027 -0.148 -0.003) 0.150 8.048 ( 0.104 -0.127 -0.000) 0.164 16.454 ( 0.139 0.803 0.614) 1.021 16.472 ( 0.462 0.100 0.405) 0.623 17.110 ( -0.460 -1.394 0.940) 1.743 17.194 ( 0.599 -1.590 -0.998) 1.971 18.072 ( -0.261 1.400 0.088) 1.427 18.096 ( 0.849 1.414 -0.126) 1.654 19.016 ( 1.663 0.249 2.370) 2.906 19.136 ( -2.232 -1.219 -3.130) 4.033 19.476 ( 2.524 1.419 2.327) 3.715 19.540 ( -1.240 1.552 -1.398) 2.429 20.175 ( 1.245 -0.579 4.006) 4.235 20.384 ( -2.822 -2.736 -4.168) 5.729 ======================= Grid point 96 (43/93) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.092 -0.000 -5.190) 5.190 0.893 ( 1.320 -0.000 7.204) 7.324 1.139 ( 4.150 -0.000 -5.392) 6.804 1.218 ( 2.789 -0.000 1.254) 3.058 1.257 ( 4.700 -0.000 6.154) 7.743 1.355 ( -7.353 0.000 -4.952) 8.865 1.448 ( -1.297 0.000 -0.616) 1.436 1.606 ( 1.174 -0.000 -5.464) 5.589 1.762 ( -3.577 0.000 -3.064) 4.710 1.909 ( 5.078 -0.000 4.493) 6.780 1.924 ( -1.155 0.000 2.810) 3.038 2.066 ( 3.700 -0.000 -1.155) 3.876 2.129 ( 4.223 -0.000 -2.631) 4.976 2.304 ( 1.203 -0.000 -1.846) 2.203 2.354 ( 0.261 -0.000 -1.233) 1.260 2.411 ( 1.819 -0.000 6.678) 6.921 2.426 ( -0.456 0.000 0.863) 0.976 2.625 ( -5.947 0.000 0.570) 5.974 2.717 ( 1.019 -0.000 -2.691) 2.877 2.932 ( 1.809 -0.000 -1.211) 2.177 3.011 ( 1.224 -0.000 3.555) 3.760 3.054 ( -1.287 0.000 2.953) 3.222 3.092 ( -1.240 0.000 -4.435) 4.605 3.213 ( 2.363 -0.000 2.405) 3.371 3.219 ( 7.478 -0.000 7.268) 10.428 3.363 ( -3.834 0.000 -1.176) 4.010 3.494 ( 5.067 -0.000 -3.225) 6.007 3.566 ( 2.182 -0.000 0.679) 2.285 3.733 ( 4.848 -0.000 2.509) 5.458 3.753 ( -2.935 0.000 -1.406) 3.254 3.871 ( 0.065 -0.000 -1.334) 1.336 3.916 ( 5.641 -0.000 -1.623) 5.870 4.153 ( -2.705 0.000 -0.205) 2.712 4.156 ( -3.207 0.000 -4.277) 5.346 4.221 ( -7.413 0.000 1.966) 7.670 4.240 ( -4.071 0.000 0.331) 4.084 4.610 ( 1.084 -0.000 0.354) 1.140 4.688 ( -1.999 0.000 0.525) 2.066 4.714 ( 3.422 -0.000 -1.044) 3.577 4.961 ( -2.177 0.000 0.150) 2.182 5.095 ( -2.163 0.000 -0.755) 2.291 5.438 ( 0.078 -0.000 0.564) 0.569 5.797 ( -1.093 0.000 -0.744) 1.322 5.986 ( 0.086 -0.000 1.008) 1.011 6.638 ( -0.155 0.000 -0.750) 0.766 6.663 ( -0.665 0.000 -0.251) 0.710 6.795 ( 0.095 -0.000 0.356) 0.369 7.020 ( 0.718 -0.000 0.457) 0.851 7.283 ( -0.262 0.000 -0.893) 0.931 7.304 ( 0.032 -0.000 0.205) 0.207 7.466 ( -0.394 0.000 -0.531) 0.661 7.528 ( 0.045 -0.000 0.368) 0.371 8.073 ( 0.357 -0.000 0.003) 0.357 8.087 ( 0.443 -0.000 -0.005) 0.443 16.387 ( -0.378 0.000 -0.066) 0.384 16.435 ( -0.385 0.000 -1.071) 1.138 17.258 ( 0.164 -0.000 0.891) 0.906 17.327 ( 1.448 -0.000 -0.844) 1.676 18.028 ( 0.542 -0.000 0.600) 0.808 18.128 ( 1.718 -0.000 -0.466) 1.780 19.018 ( -0.057 0.000 -0.915) 0.916 19.189 ( 0.230 -0.000 1.124) 1.148 19.478 ( 1.749 -0.000 -0.480) 1.814 19.664 ( 2.775 -0.000 1.459) 3.135 20.081 ( -4.451 0.000 -2.658) 5.185 20.233 ( -3.170 0.000 2.372) 3.959 ======================= Grid point 97 (44/93) ======================= q-point: ( 0.50 0.38 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.300 -0.938 0.856) 1.305 0.882 ( -2.869 -0.827 1.005) 3.151 1.141 ( 4.120 2.604 -2.106) 5.309 1.234 ( -1.254 -2.064 -5.094) 5.638 1.285 ( 0.185 -3.201 -1.492) 3.536 1.394 ( 6.540 -0.484 10.832) 12.663 1.529 ( 4.775 -2.727 6.499) 8.514 1.579 ( -0.518 0.433 -2.703) 2.786 1.731 ( -2.836 -1.740 -5.658) 6.563 1.880 ( 0.754 3.424 2.685) 4.417 1.971 ( 0.911 0.084 0.993) 1.350 2.009 ( 4.126 4.176 1.686) 6.108 2.179 ( -1.081 4.259 -0.879) 4.481 2.253 ( -0.066 -2.278 -0.490) 2.331 2.393 ( 5.518 -0.125 -1.450) 5.706 2.424 ( -0.815 -2.055 -0.557) 2.280 2.548 ( -2.073 -6.762 3.854) 8.055 2.576 ( -4.912 -0.595 -1.278) 5.110 2.697 ( 0.534 0.693 -1.694) 1.907 2.891 ( -2.013 2.051 -4.599) 5.423 2.971 ( -6.268 1.490 -4.911) 8.101 3.039 ( -1.139 1.297 1.594) 2.350 3.093 ( -0.307 -2.366 -6.511) 6.935 3.243 ( 3.914 3.239 7.609) 9.150 3.271 ( 0.175 2.986 0.225) 3.000 3.317 ( 1.810 0.392 6.223) 6.493 3.507 ( 3.446 1.125 -1.774) 4.035 3.580 ( 0.536 -0.123 1.149) 1.273 3.733 ( -1.879 -0.628 -0.812) 2.141 3.815 ( 0.715 -1.174 -1.814) 2.275 3.844 ( 1.782 -0.596 0.509) 1.947 3.928 ( 6.818 2.924 -2.462) 7.816 4.096 ( -3.607 3.226 -0.408) 4.856 4.139 ( -0.763 -0.616 -2.271) 2.474 4.190 ( -2.987 -2.777 1.104) 4.225 4.251 ( -3.971 -3.733 0.343) 5.461 4.600 ( 0.988 1.811 0.198) 2.072 4.677 ( -0.380 1.040 2.342) 2.591 4.775 ( 1.833 -3.806 -0.407) 4.244 4.963 ( -1.332 -2.218 0.059) 2.588 5.118 ( 0.649 -2.589 1.370) 3.000 5.432 ( -1.021 0.066 -0.866) 1.341 5.784 ( 0.272 0.826 0.309) 0.924 5.986 ( -1.252 -0.464 -0.746) 1.530 6.641 ( 0.014 -0.610 -0.757) 0.972 6.647 ( -1.179 0.105 -1.538) 1.940 6.813 ( 1.613 -0.085 2.801) 3.234 7.017 ( -0.067 0.680 -0.085) 0.688 7.274 ( 0.116 0.495 -0.652) 0.827 7.301 ( -0.295 0.144 -0.282) 0.433 7.461 ( 0.303 0.349 0.074) 0.468 7.526 ( -0.325 0.079 -0.078) 0.344 8.072 ( 0.225 0.389 0.071) 0.455 8.085 ( 0.188 0.472 -0.070) 0.513 16.396 ( -0.070 -1.088 0.088) 1.093 16.436 ( 0.210 -0.575 -0.666) 0.905 17.239 ( -0.237 2.290 0.864) 2.459 17.315 ( 0.930 1.936 -0.903) 2.330 18.042 ( 0.325 -0.646 0.886) 1.144 18.141 ( 0.792 -0.420 -0.713) 1.145 19.017 ( 0.847 0.277 0.230) 0.920 19.180 ( -1.098 0.644 -0.532) 1.380 19.492 ( 1.712 0.110 0.619) 1.823 19.673 ( 0.021 0.728 -0.407) 0.834 20.053 ( -0.386 -0.083 0.153) 0.423 20.231 ( -2.919 -1.856 0.316) 3.473 ======================= Grid point 98 (45/93) ======================= q-point: (-0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 1.621 -1.173 6.130) 6.449 0.956 ( 0.833 -4.429 2.906) 5.362 1.107 ( 3.275 2.607 0.527) 4.219 1.267 ( 3.502 -1.590 -0.740) 3.917 1.360 ( 1.852 -2.294 -2.633) 3.953 1.475 ( -0.705 0.719 3.869) 3.998 1.538 ( 3.710 1.244 1.937) 4.366 1.628 ( -1.652 -1.610 -0.630) 2.391 1.726 ( 0.255 0.090 2.642) 2.656 1.853 ( 1.783 1.906 3.140) 4.083 1.948 ( 0.582 1.699 -2.123) 2.781 2.005 ( -2.346 0.046 1.627) 2.855 2.077 ( 1.995 3.106 1.683) 4.057 2.302 ( 1.124 0.544 -1.051) 1.632 2.404 ( 0.006 -2.228 -1.632) 2.762 2.455 ( -2.053 -2.101 -3.085) 4.259 2.521 ( -2.883 0.086 -3.048) 4.197 2.667 ( -2.292 -4.781 0.994) 5.395 2.720 ( 1.951 -1.400 1.535) 2.850 2.802 ( -5.573 0.419 -7.685) 9.502 2.834 ( -6.924 2.914 -4.997) 9.022 3.004 ( 0.583 2.912 1.789) 3.467 3.093 ( 0.053 -0.864 -6.050) 6.112 3.165 ( -2.507 3.030 -1.013) 4.061 3.284 ( 3.122 2.244 7.236) 8.194 3.352 ( 2.536 1.546 5.034) 5.845 3.500 ( 1.273 1.197 -0.324) 1.777 3.582 ( -2.365 -0.507 -0.263) 2.432 3.734 ( 1.115 0.501 -1.351) 1.822 3.749 ( 0.155 2.314 -1.765) 2.915 3.905 ( 2.988 2.265 -0.670) 3.809 3.942 ( 0.272 -2.074 -1.456) 2.549 4.004 ( -4.615 1.596 1.574) 5.131 4.115 ( 1.121 0.803 -1.114) 1.773 4.270 ( 2.437 -3.190 0.883) 4.111 4.312 ( -1.472 -5.472 -0.002) 5.667 4.580 ( 2.335 1.925 1.320) 3.301 4.661 ( -1.151 0.352 0.595) 1.342 4.865 ( 1.091 -4.048 1.253) 4.376 5.019 ( -0.407 -3.813 0.184) 3.839 5.193 ( 2.260 -2.726 2.345) 4.247 5.414 ( -1.753 -0.157 -2.018) 2.677 5.778 ( 1.858 1.160 1.566) 2.692 5.970 ( -2.857 -0.444 -2.872) 4.075 6.633 ( -0.634 -0.360 -0.883) 1.145 6.653 ( 0.140 -0.788 -0.626) 1.017 6.843 ( 2.091 0.162 3.287) 3.899 6.994 ( -0.809 1.062 -0.747) 1.529 7.262 ( 0.283 0.749 -0.268) 0.844 7.292 ( -0.545 0.199 -0.617) 0.847 7.460 ( 0.883 0.477 0.712) 1.231 7.519 ( -0.669 0.088 -0.590) 0.896 8.064 ( 0.059 0.591 0.111) 0.605 8.073 ( -0.054 0.725 -0.105) 0.734 16.423 ( 0.058 -1.544 0.191) 1.557 16.451 ( 0.483 -0.767 -0.359) 0.975 17.185 ( -0.653 3.204 0.905) 3.392 17.267 ( 0.454 3.065 -0.959) 3.243 18.063 ( 0.106 -0.882 1.065) 1.387 18.147 ( -0.096 -0.240 -0.902) 0.938 19.023 ( 1.526 0.481 1.239) 2.024 19.147 ( -1.964 0.722 -1.742) 2.723 19.506 ( 1.491 0.405 1.491) 2.147 19.639 ( -2.071 1.116 -1.765) 2.941 20.079 ( 2.673 -0.813 2.526) 3.766 20.252 ( -2.032 -2.786 -1.713) 3.850 ======================= Grid point 99 (46/93) ======================= q-point: (-0.25 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 4.633 -3.149 3.935) 6.846 1.054 ( 2.694 0.152 3.875) 4.722 1.131 ( 7.745 -0.801 5.999) 9.830 1.307 ( -2.082 2.667 -2.889) 4.450 1.333 ( 3.293 0.710 1.807) 3.823 1.478 ( -3.110 -1.656 1.494) 3.827 1.492 ( -1.466 3.395 -1.715) 4.076 1.638 ( -4.885 0.837 2.158) 5.406 1.736 ( -0.039 -1.296 -0.375) 1.350 1.868 ( 1.334 1.183 3.292) 3.744 1.892 ( -0.609 1.052 0.112) 1.221 1.985 ( 3.407 1.944 2.283) 4.539 2.120 ( 2.972 -2.232 -1.856) 4.155 2.259 ( -0.509 2.540 0.554) 2.649 2.404 ( -7.275 -1.458 -8.027) 10.931 2.468 ( -0.899 -2.137 -4.805) 5.335 2.504 ( -0.825 -0.841 1.507) 1.912 2.673 ( -5.990 -1.966 -2.533) 6.795 2.725 ( 0.462 -0.136 -1.060) 1.164 2.752 ( -1.771 1.015 -0.322) 2.067 2.815 ( 1.540 -3.820 -1.291) 4.316 2.952 ( 2.284 4.410 0.230) 4.971 3.083 ( 0.173 -0.546 -2.735) 2.794 3.101 ( -3.389 0.944 -0.755) 3.598 3.271 ( 1.389 3.960 2.945) 5.127 3.348 ( 1.891 2.345 1.384) 3.315 3.483 ( 0.568 1.408 1.817) 2.367 3.565 ( -2.759 -0.541 -2.076) 3.495 3.701 ( 1.474 1.509 0.357) 2.139 3.749 ( -0.988 -0.426 -1.143) 1.570 3.839 ( -3.142 4.291 2.116) 5.724 3.924 ( 3.321 2.034 0.616) 3.943 3.994 ( -6.542 -3.136 -0.699) 7.288 4.142 ( 4.270 -0.978 -1.624) 4.672 4.344 ( 2.300 -2.507 2.061) 3.978 4.414 ( 1.201 -4.706 -1.065) 4.972 4.575 ( 1.946 1.782 2.317) 3.512 4.664 ( -0.206 -1.572 -1.391) 2.109 4.947 ( 1.723 -2.058 3.158) 4.144 5.073 ( -1.978 -2.840 -1.683) 3.848 5.268 ( 2.922 -1.427 3.143) 4.523 5.393 ( -1.942 -0.547 -2.705) 3.374 5.790 ( 3.194 0.883 3.004) 4.473 5.928 ( -4.135 -0.235 -4.589) 6.182 6.641 ( 0.050 -0.868 0.042) 0.871 6.663 ( 0.046 -0.404 -0.467) 0.619 6.871 ( 2.217 0.324 2.984) 3.732 6.960 ( -1.442 0.965 -1.511) 2.301 7.251 ( 0.243 0.606 0.245) 0.697 7.281 ( -0.531 0.106 -0.725) 0.905 7.465 ( 1.027 0.375 1.146) 1.584 7.508 ( -0.820 -0.027 -1.033) 1.319 8.054 ( -0.042 0.493 0.098) 0.505 8.058 ( -0.142 0.612 -0.091) 0.635 16.450 ( 0.106 -1.150 0.210) 1.174 16.466 ( 0.350 -0.500 -0.169) 0.633 17.128 ( -0.824 2.383 0.937) 2.690 17.211 ( 0.284 2.470 -0.949) 2.662 18.083 ( 0.000 -0.578 1.012) 1.165 18.138 ( -0.455 0.425 -0.886) 1.083 19.034 ( 1.840 0.673 1.850) 2.695 19.111 ( -2.136 0.046 -2.299) 3.139 19.517 ( 1.581 0.670 2.078) 2.696 19.590 ( -2.326 1.020 -2.117) 3.306 20.138 ( 2.895 -1.094 3.330) 4.546 20.280 ( -1.463 -2.743 -2.896) 4.249 ======================= Grid point 100 (47/93) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 5.155 6.450 -0.101) 8.257 1.076 ( 4.744 -3.980 -1.658) 6.411 1.180 ( -2.945 3.765 -0.960) 4.875 1.304 ( 6.802 -0.522 8.706) 11.060 1.331 ( 0.312 1.190 -3.741) 3.938 1.424 ( -0.556 1.786 -0.781) 2.027 1.501 ( -0.019 0.859 8.267) 8.312 1.531 ( -7.968 2.062 -3.460) 8.928 1.723 ( -7.835 -1.938 -0.282) 8.076 1.834 ( -0.457 0.308 -1.451) 1.552 1.957 ( 2.850 -0.678 0.875) 3.058 2.046 ( 10.275 -1.301 8.125) 13.164 2.109 ( -0.298 1.786 -5.164) 5.472 2.256 ( -3.356 -2.889 -1.321) 4.621 2.300 ( -4.939 0.863 -5.937) 7.771 2.481 ( -1.160 -1.445 -0.377) 1.891 2.539 ( 1.463 0.259 4.128) 4.388 2.647 ( -4.926 -0.301 -1.255) 5.093 2.703 ( -1.373 0.657 -0.658) 1.658 2.766 ( 4.020 0.241 0.058) 4.027 2.881 ( 0.960 -1.248 -2.183) 2.692 2.916 ( 4.681 0.523 -0.581) 4.746 3.062 ( -3.787 -0.189 0.334) 3.807 3.092 ( -1.123 -0.871 0.062) 1.423 3.211 ( 2.762 3.132 -1.319) 4.379 3.317 ( 2.400 2.633 -0.870) 3.667 3.482 ( 0.808 0.822 3.028) 3.240 3.531 ( -2.546 0.665 -1.746) 3.158 3.687 ( -2.773 2.166 -1.086) 3.683 3.720 ( -0.831 -0.608 1.766) 2.044 3.781 ( 1.166 2.124 1.798) 3.017 3.918 ( 2.354 1.809 -0.606) 3.030 4.011 ( -4.774 -4.064 0.632) 6.301 4.191 ( 1.641 -1.971 0.237) 2.576 4.411 ( 0.384 -2.172 -0.197) 2.215 4.478 ( 0.695 -1.783 -1.091) 2.203 4.568 ( 0.514 0.948 2.064) 2.329 4.691 ( 0.664 -1.382 -2.127) 2.622 4.993 ( 1.565 0.491 3.435) 3.806 5.069 ( -2.410 -0.050 -2.627) 3.566 5.318 ( 1.073 -0.409 1.985) 2.293 5.377 ( -0.723 -0.247 -1.928) 2.074 5.827 ( 4.048 0.293 4.323) 5.929 5.875 ( -4.313 -0.523 -4.983) 6.611 6.659 ( 0.011 -0.558 0.166) 0.583 6.664 ( -0.029 -0.066 -0.088) 0.114 6.897 ( 2.021 0.140 2.258) 3.034 6.923 ( -1.648 0.552 -2.064) 2.699 7.248 ( 0.146 0.034 0.685) 0.701 7.275 ( -0.235 -0.151 -0.521) 0.591 7.472 ( 0.382 0.037 0.835) 0.919 7.499 ( -0.349 -0.144 -0.842) 0.923 8.047 ( -0.023 0.165 0.035) 0.170 8.050 ( -0.018 0.186 -0.035) 0.190 16.465 ( 0.083 -0.089 0.205) 0.238 16.473 ( 0.064 -0.250 -0.064) 0.266 17.100 ( -0.596 0.393 0.988) 1.219 17.182 ( 0.482 0.372 -0.914) 1.098 18.089 ( -0.225 0.412 0.400) 0.617 18.121 ( 0.257 0.738 -0.360) 0.860 19.047 ( 1.575 0.390 1.948) 2.536 19.090 ( -1.622 -0.478 -2.174) 2.754 19.528 ( 1.697 0.771 2.017) 2.746 19.545 ( -1.298 0.985 -1.789) 2.420 20.189 ( 0.902 -0.904 2.852) 3.125 20.299 ( -1.281 -1.969 -2.826) 3.675 ======================= Grid point 105 (48/93) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -9.797 0.000 -1.732) 9.949 0.847 ( 4.682 -0.000 0.267) 4.690 1.146 ( -5.421 0.000 -2.916) 6.156 1.241 ( -0.113 0.000 -0.204) 0.233 1.258 ( 10.607 -0.000 3.544) 11.184 1.529 ( 9.047 -0.000 12.268) 15.243 1.553 ( -1.280 0.000 -1.722) 2.145 1.586 ( 2.909 -0.000 -1.094) 3.108 1.697 ( 4.949 -0.000 5.434) 7.350 1.883 ( -4.201 0.000 -2.264) 4.772 1.983 ( -2.321 0.000 1.166) 2.597 2.125 ( 2.831 -0.000 1.733) 3.319 2.175 ( 4.024 -0.000 -0.087) 4.025 2.309 ( -1.838 0.000 -4.068) 4.464 2.321 ( -1.465 0.000 0.807) 1.673 2.461 ( -5.155 0.000 5.066) 7.228 2.468 ( 6.233 -0.000 1.790) 6.485 2.525 ( -4.089 0.000 -1.435) 4.334 2.690 ( 0.596 -0.000 -4.287) 4.328 2.821 ( -11.223 0.000 -12.894) 17.094 2.898 ( -3.596 0.000 -5.554) 6.617 3.036 ( -0.046 0.000 -3.545) 3.545 3.070 ( -0.154 0.000 2.894) 2.898 3.254 ( -5.394 0.000 -4.677) 7.139 3.347 ( 2.739 -0.000 8.523) 8.953 3.389 ( 4.201 -0.000 7.344) 8.461 3.553 ( 3.450 -0.000 -0.391) 3.472 3.579 ( -1.381 0.000 -0.269) 1.407 3.715 ( 0.543 -0.000 -0.717) 0.899 3.769 ( -2.847 0.000 -0.098) 2.849 3.864 ( 0.749 -0.000 -0.850) 1.133 4.010 ( 6.299 -0.000 -2.610) 6.818 4.076 ( -7.661 0.000 -0.644) 7.688 4.128 ( 3.771 -0.000 -2.841) 4.722 4.143 ( -0.677 0.000 0.823) 1.066 4.195 ( -0.806 0.000 0.138) 0.818 4.631 ( 0.277 -0.000 1.273) 1.303 4.715 ( 1.858 -0.000 4.357) 4.737 4.738 ( 0.103 -0.000 -1.431) 1.434 4.925 ( -0.726 0.000 -1.249) 1.445 5.124 ( 3.500 -0.000 4.200) 5.468 5.412 ( -2.092 0.000 -2.430) 3.207 5.804 ( 1.659 -0.000 1.357) 2.143 5.960 ( -2.392 0.000 -2.102) 3.184 6.627 ( -1.262 0.000 -2.029) 2.389 6.632 ( 0.348 -0.000 -0.810) 0.882 6.848 ( 2.393 -0.000 4.251) 4.878 7.018 ( -0.842 0.000 -0.652) 1.065 7.279 ( 0.470 -0.000 -0.557) 0.728 7.296 ( -0.682 0.000 -0.710) 0.984 7.471 ( 0.924 -0.000 0.568) 1.085 7.522 ( -0.661 0.000 -0.479) 0.817 8.077 ( 0.081 -0.000 0.139) 0.161 8.089 ( -0.077 0.000 -0.137) 0.158 16.386 ( 0.069 -0.000 0.230) 0.240 16.432 ( 0.787 -0.000 -0.593) 0.985 17.262 ( -0.642 0.000 0.745) 0.983 17.335 ( 0.446 -0.000 -0.897) 1.002 18.042 ( 0.081 -0.000 1.207) 1.210 18.136 ( -0.056 0.000 -1.000) 1.001 19.035 ( 1.762 -0.000 1.261) 2.167 19.165 ( -2.294 0.000 -1.876) 2.964 19.513 ( 1.532 -0.000 1.705) 2.292 19.663 ( -2.614 0.000 -1.884) 3.222 20.074 ( 4.123 -0.000 1.893) 4.537 20.184 ( -3.208 0.000 -0.871) 3.324 ======================= Grid point 106 (49/93) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -6.806 -5.954 1.277) 9.132 0.900 ( 0.337 -2.068 -0.206) 2.105 1.129 ( 1.111 -1.307 2.674) 3.177 1.269 ( 1.064 -2.754 -2.085) 3.614 1.370 ( 9.234 0.371 7.340) 11.802 1.503 ( -2.056 1.683 -5.196) 5.836 1.561 ( -2.567 0.200 -5.540) 6.109 1.644 ( 6.960 0.911 9.998) 12.216 1.772 ( -0.942 2.539 -0.320) 2.727 1.887 ( 4.442 -3.535 7.636) 9.515 1.949 ( -3.696 0.289 -1.335) 3.940 2.047 ( -2.706 7.176 2.715) 8.136 2.185 ( 3.233 4.298 0.238) 5.383 2.288 ( 2.669 -2.752 2.337) 4.490 2.346 ( -4.330 -1.814 -1.343) 4.884 2.430 ( -2.949 0.641 -6.176) 6.874 2.506 ( 0.986 1.513 2.603) 3.168 2.543 ( -3.337 -4.994 1.737) 6.253 2.659 ( -10.505 -1.225 -12.709) 16.534 2.713 ( 2.818 -2.562 -1.695) 4.169 2.827 ( -3.116 1.901 -4.416) 5.730 3.039 ( -0.436 -1.159 -1.742) 2.138 3.073 ( 0.937 1.164 2.166) 2.631 3.175 ( -4.133 1.233 -4.245) 6.051 3.375 ( 0.754 2.103 6.998) 7.346 3.437 ( 2.917 1.522 5.830) 6.694 3.532 ( -0.380 1.753 0.215) 1.807 3.559 ( -2.705 0.893 -0.915) 2.992 3.721 ( -0.228 -0.187 -1.748) 1.773 3.773 ( -0.078 -1.445 -2.301) 2.718 3.848 ( -2.359 -0.148 -0.081) 2.365 3.983 ( -9.274 1.606 0.325) 9.418 4.021 ( 6.324 2.560 -3.154) 7.516 4.129 ( 1.266 -0.320 -1.290) 1.835 4.227 ( 2.485 -2.526 0.854) 3.645 4.236 ( 5.019 -4.723 0.021) 6.892 4.627 ( -0.778 0.887 0.884) 1.474 4.680 ( 0.429 2.397 0.192) 2.443 4.817 ( 2.455 -3.919 3.418) 5.750 4.945 ( -0.387 -2.713 -1.780) 3.268 5.199 ( 4.603 -1.476 5.077) 7.010 5.378 ( -2.835 -0.224 -3.713) 4.677 5.826 ( 3.031 0.667 2.442) 3.949 5.924 ( -3.285 -0.041 -3.358) 4.697 6.614 ( -0.627 -0.458 -1.211) 1.439 6.639 ( 0.544 -0.591 -0.770) 1.113 6.885 ( 2.405 0.319 4.239) 4.884 6.996 ( -1.596 0.687 -1.358) 2.206 7.275 ( 0.271 0.539 -0.443) 0.749 7.286 ( -0.571 0.027 -0.834) 1.011 7.481 ( 1.286 0.337 0.959) 1.639 7.511 ( -0.904 0.103 -0.880) 1.265 8.074 ( -0.092 0.406 0.177) 0.452 8.082 ( -0.314 0.453 -0.174) 0.578 16.398 ( 0.081 -1.070 0.247) 1.101 16.442 ( 1.025 -0.478 -0.648) 1.303 17.236 ( -1.060 2.245 0.781) 2.603 17.314 ( 0.006 1.953 -0.916) 2.157 18.054 ( -0.202 -0.615 1.406) 1.548 18.131 ( -0.768 -0.428 -1.164) 1.459 19.056 ( 2.363 0.384 2.070) 3.165 19.127 ( -2.937 0.452 -2.611) 3.956 19.532 ( 1.008 0.211 2.407) 2.619 19.618 ( -3.795 0.494 -2.499) 4.570 20.122 ( 4.251 0.469 2.335) 4.873 20.182 ( -0.184 -2.294 -1.507) 2.751 ======================= Grid point 107 (50/93) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -2.082 -5.428 -1.980) 6.142 0.965 ( -3.673 -9.720 5.357) 11.691 1.211 ( 6.492 0.050 5.628) 8.592 1.297 ( 0.230 -0.518 -7.624) 7.645 1.396 ( -2.691 4.151 -5.066) 7.081 1.462 ( 2.971 -0.708 5.427) 6.228 1.506 ( -3.435 0.948 1.615) 3.912 1.649 ( -5.053 3.080 -0.108) 5.918 1.716 ( -0.219 0.980 -1.069) 1.467 1.864 ( -8.309 1.181 -2.455) 8.745 1.962 ( 4.300 1.831 2.792) 5.444 2.036 ( 5.039 -2.374 8.051) 9.790 2.151 ( 3.769 2.931 0.398) 4.791 2.289 ( -8.609 3.234 -11.234) 14.518 2.330 ( 2.637 0.370 2.872) 3.917 2.401 ( 1.377 -3.229 1.084) 3.674 2.476 ( -3.342 0.878 -0.180) 3.460 2.596 ( 0.048 -3.090 0.352) 3.110 2.642 ( -2.450 -4.779 -3.891) 6.632 2.751 ( -2.505 1.003 -0.617) 2.768 2.801 ( 4.484 -2.465 -0.678) 5.162 3.043 ( -1.334 0.517 -1.518) 2.086 3.054 ( 0.530 2.108 4.296) 4.815 3.111 ( -0.725 1.409 -3.427) 3.776 3.353 ( -0.415 2.865 3.453) 4.506 3.432 ( 1.423 3.158 2.988) 4.574 3.507 ( -4.419 -0.220 -1.827) 4.787 3.518 ( 0.709 0.565 2.145) 2.329 3.701 ( -3.386 -0.808 -3.137) 4.686 3.749 ( 0.052 2.317 -2.036) 3.085 3.850 ( -4.887 0.065 -0.871) 4.964 3.889 ( -6.091 -1.688 1.359) 6.465 4.004 ( 4.635 3.147 -1.232) 5.736 4.151 ( 1.547 -1.102 -1.628) 2.502 4.319 ( 5.409 -2.658 1.515) 6.214 4.370 ( 5.160 -4.156 0.275) 6.631 4.582 ( -4.143 0.461 -1.685) 4.496 4.680 ( 4.097 0.948 1.731) 4.548 4.923 ( 1.010 -3.551 2.629) 4.532 4.987 ( -0.706 -3.336 -1.438) 3.701 5.286 ( 3.622 -1.293 4.094) 5.618 5.347 ( -2.154 -0.942 -3.711) 4.393 5.855 ( 4.052 0.890 3.565) 5.470 5.874 ( -3.811 0.317 -4.160) 5.651 6.623 ( 0.037 -1.040 -0.208) 1.061 6.652 ( 0.495 -0.619 -0.666) 1.035 6.914 ( 2.056 0.617 3.449) 4.063 6.956 ( -2.143 1.008 -2.044) 3.128 7.260 ( -0.651 0.474 -0.534) 0.966 7.279 ( 0.247 0.271 -0.359) 0.513 7.484 ( 0.002 0.499 0.163) 0.525 7.500 ( 0.264 0.130 -0.183) 0.346 8.064 ( -0.196 0.588 0.161) 0.641 8.068 ( -0.383 0.627 -0.157) 0.751 16.425 ( 0.017 -1.520 0.135) 1.526 16.457 ( 0.613 -0.589 -0.748) 1.132 17.177 ( -1.238 3.046 0.941) 3.420 17.261 ( -0.103 2.947 -0.921) 3.089 18.072 ( -0.461 -0.879 1.332) 1.661 18.127 ( -0.981 -0.431 -1.113) 1.545 19.072 ( -0.081 0.768 0.119) 0.782 19.088 ( -0.136 0.263 -0.329) 0.442 19.544 ( -0.016 0.265 1.940) 1.958 19.568 ( -2.875 0.346 -1.829) 3.425 20.146 ( -0.193 -1.152 -0.421) 1.242 20.240 ( 4.873 -1.166 0.769) 5.069 ======================= Grid point 108 (51/93) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -3.883 -6.058 -4.739) 8.616 1.148 ( 2.909 -1.795 1.143) 3.604 1.209 ( -4.298 4.867 -1.844) 6.750 1.233 ( -6.991 -2.487 -8.260) 11.103 1.323 ( 2.356 -2.827 2.470) 4.432 1.453 ( -1.381 1.742 -1.535) 2.702 1.508 ( -3.764 1.239 -0.040) 3.963 1.587 ( 2.161 1.062 8.906) 9.225 1.637 ( -6.719 1.356 -1.760) 7.077 1.809 ( -2.349 -0.616 -3.623) 4.362 1.998 ( 1.952 2.748 -0.562) 3.417 2.070 ( -4.878 -0.744 -5.225) 7.187 2.172 ( 6.400 -0.552 0.998) 6.501 2.203 ( 4.656 -1.193 8.017) 9.347 2.309 ( 0.647 3.601 -2.512) 4.438 2.441 ( -0.314 -1.639 1.978) 2.588 2.539 ( 2.523 -3.849 4.921) 6.738 2.605 ( -2.967 -0.397 -1.689) 3.437 2.667 ( -1.937 -0.490 0.914) 2.197 2.794 ( 5.288 -3.650 -1.016) 6.505 2.867 ( 2.469 -0.664 -0.022) 2.557 2.982 ( 0.128 3.293 1.612) 3.668 3.045 ( -1.865 1.017 0.756) 2.255 3.081 ( 0.725 0.156 -0.976) 1.226 3.295 ( 0.549 3.908 0.259) 3.955 3.382 ( -0.031 3.156 0.110) 3.158 3.485 ( -3.029 -0.983 -0.692) 3.259 3.523 ( 0.035 0.758 1.907) 2.053 3.675 ( -3.874 -0.871 -1.833) 4.374 3.703 ( -1.266 0.405 -0.866) 1.587 3.791 ( -3.760 0.126 1.183) 3.944 3.918 ( -2.383 -2.995 -1.181) 4.005 3.971 ( 2.121 2.840 -0.954) 3.671 4.177 ( 1.218 -1.171 -0.547) 1.776 4.401 ( 4.808 -0.181 0.168) 4.815 4.465 ( 3.243 -1.846 0.431) 3.756 4.544 ( -3.929 -1.095 -2.002) 4.543 4.709 ( 3.812 0.603 1.314) 4.077 4.963 ( -3.889 -2.457 -2.467) 5.220 5.056 ( 2.810 -1.914 2.978) 4.520 5.303 ( -2.192 -0.360 -2.821) 3.591 5.375 ( 2.790 -0.999 2.263) 3.729 5.816 ( -3.612 0.247 -4.025) 5.414 5.895 ( 4.569 0.652 4.484) 6.435 6.646 ( 0.278 -1.062 0.255) 1.127 6.661 ( 0.179 -0.206 -0.494) 0.565 6.904 ( -2.326 0.861 -2.326) 3.400 6.935 ( 1.598 0.517 2.219) 2.783 7.246 ( -0.772 0.067 -0.359) 0.854 7.277 ( 0.478 0.231 0.144) 0.550 7.469 ( -1.040 0.181 -0.967) 1.432 7.506 ( 1.114 0.269 0.838) 1.420 8.053 ( -0.172 0.441 0.098) 0.483 8.054 ( -0.242 0.421 -0.098) 0.495 16.451 ( -0.126 -1.176 -0.053) 1.184 16.467 ( 0.079 -0.481 -0.549) 0.734 17.122 ( -0.969 2.086 1.070) 2.537 17.206 ( 0.119 2.205 -0.872) 2.374 18.087 ( -0.554 -0.513 0.723) 1.046 18.122 ( -0.580 -0.273 -0.619) 0.891 19.042 ( -2.226 -0.152 -1.904) 2.933 19.101 ( 2.526 0.808 2.073) 3.366 19.520 ( -2.764 -0.017 -2.225) 3.548 19.565 ( 0.815 0.151 2.289) 2.435 20.160 ( -1.872 -1.623 -1.668) 2.987 20.298 ( 4.856 0.196 1.669) 5.138 ======================= Grid point 114 (52/93) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -10.459 0.000 0.781) 10.488 0.851 ( -7.279 0.000 -1.318) 7.398 1.164 ( 8.611 -0.000 0.976) 8.666 1.251 ( 0.731 -0.000 5.993) 6.038 1.463 ( -0.824 0.000 -8.305) 8.346 1.484 ( 4.936 -0.000 -7.514) 8.990 1.532 ( 0.415 -0.000 10.848) 10.856 1.700 ( -13.092 0.000 -9.503) 16.178 1.773 ( 6.526 -0.000 8.879) 11.019 1.861 ( -4.331 0.000 -3.760) 5.736 1.978 ( 4.663 -0.000 8.317) 9.535 2.223 ( -2.217 0.000 -7.183) 7.518 2.225 ( 3.870 -0.000 9.062) 9.853 2.241 ( 0.343 -0.000 1.390) 1.432 2.329 ( -12.012 0.000 -2.358) 12.241 2.331 ( 4.982 -0.000 4.163) 6.492 2.463 ( -2.482 0.000 -0.983) 2.670 2.505 ( -5.662 0.000 -6.488) 8.611 2.607 ( 5.456 -0.000 2.459) 5.985 2.678 ( 1.045 -0.000 -1.772) 2.058 2.795 ( -3.167 0.000 -4.873) 5.812 3.024 ( -0.648 0.000 0.901) 1.110 3.098 ( 0.101 -0.000 3.360) 3.362 3.117 ( -3.725 0.000 -5.990) 7.053 3.431 ( -0.519 0.000 6.146) 6.168 3.460 ( -3.828 0.000 -0.006) 3.828 3.548 ( 0.204 -0.000 1.803) 1.815 3.566 ( -1.913 0.000 0.741) 2.052 3.689 ( -4.071 0.000 -0.012) 4.071 3.757 ( 3.513 -0.000 -1.261) 3.733 3.837 ( -2.928 0.000 -2.045) 3.571 3.913 ( -9.570 0.000 -1.365) 9.667 4.056 ( 3.685 -0.000 -3.760) 5.265 4.181 ( 3.881 -0.000 -1.639) 4.213 4.198 ( 4.946 -0.000 1.019) 5.050 4.245 ( 5.884 -0.000 0.487) 5.904 4.631 ( -1.694 0.000 0.902) 1.919 4.696 ( -2.546 0.000 -1.653) 3.035 4.823 ( 5.279 -0.000 4.854) 7.171 4.912 ( 0.585 -0.000 -2.637) 2.701 5.256 ( 5.306 -0.000 5.862) 7.907 5.326 ( -3.668 0.000 -5.128) 6.305 5.874 ( 3.796 -0.000 3.070) 4.882 5.882 ( -3.070 0.000 -3.334) 4.532 6.600 ( -0.290 0.000 -0.862) 0.910 6.636 ( 0.992 -0.000 -0.719) 1.226 6.928 ( 2.157 -0.000 4.125) 4.655 6.978 ( -2.333 0.000 -2.053) 3.107 7.271 ( -1.198 0.000 -1.066) 1.604 7.287 ( 0.857 -0.000 -0.377) 0.936 7.498 ( -1.105 0.000 -1.158) 1.600 7.502 ( 1.513 -0.000 1.053) 1.843 8.077 ( -0.262 0.000 0.211) 0.336 8.082 ( -0.534 0.000 -0.210) 0.574 16.390 ( 0.050 -0.000 0.219) 0.224 16.445 ( 1.412 -0.000 -1.241) 1.880 17.250 ( -1.454 0.000 0.700) 1.613 17.327 ( -0.446 0.000 -0.823) 0.936 18.052 ( -0.484 0.000 1.594) 1.666 18.112 ( -1.327 0.000 -1.260) 1.830 19.091 ( -3.386 0.000 -2.975) 4.507 19.094 ( 2.815 -0.000 2.662) 3.874 19.553 ( 0.297 -0.000 3.283) 3.296 19.574 ( -4.593 0.000 -2.615) 5.285 20.122 ( -1.759 0.000 -2.776) 3.286 20.216 ( 8.571 -0.000 3.103) 9.115 ======================= Grid point 115 (53/93) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -7.410 -11.885 1.799) 14.120 0.785 ( -11.776 -3.185 -0.093) 12.200 1.236 ( 3.182 -1.289 -4.777) 5.882 1.327 ( 7.512 1.233 7.138) 10.436 1.393 ( -3.984 1.766 -7.672) 8.823 1.434 ( -4.456 -0.886 -3.486) 5.726 1.503 ( -13.630 0.006 -7.543) 15.578 1.643 ( 3.822 0.600 8.719) 9.539 1.768 ( 0.472 2.120 -1.493) 2.636 1.842 ( -4.028 4.459 -0.052) 6.009 1.960 ( -1.507 0.567 -0.311) 1.639 2.129 ( 1.386 3.077 2.020) 3.933 2.184 ( -5.975 1.011 -8.865) 10.738 2.233 ( -1.325 -0.090 -3.682) 3.914 2.338 ( 1.913 -3.693 5.366) 6.789 2.435 ( 7.597 0.793 10.263) 12.794 2.497 ( -3.026 -2.469 -0.708) 3.969 2.552 ( 3.902 -2.585 1.957) 5.073 2.565 ( 2.677 2.027 2.818) 4.384 2.736 ( -1.630 -0.910 1.016) 2.125 2.762 ( 1.108 -2.409 -3.085) 4.067 3.026 ( -1.728 -0.521 2.455) 3.047 3.087 ( -0.215 -0.934 -4.548) 4.648 3.114 ( 0.429 0.507 4.241) 4.292 3.387 ( -4.799 1.355 0.043) 4.987 3.451 ( -2.496 -0.011 1.474) 2.899 3.498 ( -3.596 2.462 0.365) 4.373 3.567 ( 0.046 0.172 2.494) 2.500 3.654 ( -2.830 2.038 -0.315) 3.502 3.761 ( -4.083 2.013 -3.597) 5.802 3.792 ( 0.157 -1.962 -2.558) 3.227 3.836 ( -6.763 -0.112 0.485) 6.782 4.090 ( 5.116 0.128 -2.570) 5.727 4.140 ( 2.281 2.446 -0.788) 3.437 4.328 ( 5.683 -4.670 0.186) 7.358 4.338 ( 7.625 -3.520 1.079) 8.467 4.566 ( -4.100 2.811 -1.265) 5.129 4.709 ( 0.071 -2.010 0.623) 2.106 4.875 ( 0.021 -0.201 -1.765) 1.777 4.942 ( 2.832 -3.069 1.591) 4.469 5.278 ( -2.722 -0.727 -4.762) 5.533 5.333 ( 4.456 -0.806 4.610) 6.462 5.839 ( -2.671 0.552 -3.033) 4.079 5.918 ( 4.004 0.394 3.444) 5.296 6.604 ( 0.126 -0.819 -0.207) 0.854 6.647 ( 1.185 -0.349 -0.581) 1.365 6.938 ( -2.803 0.697 -2.574) 3.869 6.958 ( 1.546 0.460 3.143) 3.533 7.254 ( -1.160 0.180 -0.868) 1.460 7.289 ( 0.673 0.288 -0.325) 0.801 7.481 ( -1.106 0.271 -1.215) 1.665 7.517 ( 1.376 0.210 0.942) 1.680 8.072 ( -0.416 0.394 0.113) 0.584 8.072 ( -0.524 0.365 -0.114) 0.649 16.401 ( -0.005 -1.030 0.130) 1.038 16.450 ( 0.868 -0.172 -1.928) 2.121 17.219 ( -1.645 2.078 0.855) 2.785 17.301 ( -0.532 1.813 -0.801) 2.053 18.059 ( -0.864 -0.515 1.441) 1.757 18.100 ( -1.405 -0.626 -1.161) 1.927 19.046 ( -3.177 0.220 -2.657) 4.147 19.128 ( 3.069 0.399 2.805) 4.176 19.520 ( -4.421 0.176 -2.365) 5.017 19.569 ( -0.298 0.116 3.531) 3.546 20.107 ( -0.864 -0.901 -2.658) 2.937 20.304 ( 8.496 -0.005 2.593) 8.883 ======================= Grid point 116 (54/93) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -10.377 -6.292 -3.954) 12.763 0.918 ( -8.643 -13.254 -0.335) 15.827 1.161 ( -6.825 1.044 -9.469) 11.719 1.252 ( -7.791 2.624 -1.825) 8.421 1.321 ( -3.461 1.291 -2.686) 4.568 1.406 ( -0.962 -2.123 -3.776) 4.437 1.506 ( 1.712 -0.388 5.701) 5.965 1.655 ( -1.084 5.602 1.845) 5.997 1.688 ( 4.421 2.253 4.373) 6.614 1.759 ( -0.729 -0.512 -3.348) 3.464 1.957 ( -7.827 -1.733 -7.351) 10.877 2.068 ( 2.659 1.415 -0.534) 3.059 2.156 ( -0.141 -0.687 -1.361) 1.531 2.257 ( 2.795 -2.446 1.795) 4.125 2.390 ( -1.263 4.976 -2.691) 5.796 2.466 ( 3.013 -0.630 8.896) 9.413 2.503 ( -0.277 -2.567 0.952) 2.751 2.607 ( 6.881 -0.087 5.887) 9.056 2.653 ( -1.533 -1.061 3.047) 3.572 2.775 ( 5.946 -3.198 1.909) 7.016 2.824 ( -1.185 -3.556 -0.463) 3.776 3.023 ( -0.964 1.024 1.690) 2.198 3.079 ( 0.987 0.863 -4.283) 4.479 3.112 ( 1.085 2.664 5.554) 6.255 3.338 ( -3.503 0.664 0.454) 3.594 3.422 ( -2.310 2.033 -0.407) 3.104 3.441 ( -2.001 -0.179 -0.018) 2.009 3.549 ( -4.134 3.088 -0.856) 5.231 3.595 ( -2.173 -2.954 0.471) 3.697 3.700 ( -1.407 1.183 -1.540) 2.398 3.761 ( -4.918 0.207 -1.554) 5.162 3.847 ( -0.638 -2.317 -0.245) 2.415 4.065 ( 4.355 4.428 -0.717) 6.252 4.159 ( 2.095 -1.374 -1.142) 2.754 4.427 ( 2.098 -1.701 -0.800) 2.816 4.482 ( 0.886 -0.996 0.152) 1.342 4.494 ( 4.925 -0.778 0.167) 4.989 4.748 ( 1.852 -0.536 0.990) 2.167 4.855 ( -4.346 -2.478 -4.284) 6.586 5.045 ( 3.165 -3.396 2.620) 5.331 5.257 ( -1.565 -0.773 -3.934) 4.304 5.399 ( 3.289 -0.662 3.270) 4.685 5.790 ( -2.059 1.047 -2.348) 3.294 5.960 ( 3.764 0.330 3.533) 5.173 6.627 ( 0.322 -1.270 0.252) 1.334 6.659 ( 0.965 -0.137 -0.395) 1.051 6.885 ( -3.045 0.759 -2.908) 4.278 6.969 ( 1.020 0.763 2.070) 2.431 7.239 ( -0.900 0.130 -0.436) 1.009 7.287 ( 0.384 0.274 0.065) 0.476 7.461 ( -0.922 0.326 -1.039) 1.427 7.526 ( 1.073 0.353 0.769) 1.367 8.059 ( -0.433 0.454 -0.109) 0.637 8.061 ( -0.324 0.523 0.106) 0.625 16.425 ( -0.124 -1.399 -0.021) 1.405 16.450 ( -0.185 -0.665 -1.588) 1.731 17.164 ( -1.381 2.677 1.097) 3.206 17.250 ( -0.238 2.678 -0.820) 2.810 18.069 ( -1.072 -0.939 0.887) 1.679 18.099 ( -1.235 -0.852 -0.842) 1.720 19.011 ( -2.369 -0.124 -1.795) 2.975 19.154 ( 3.092 0.971 2.353) 4.005 19.477 ( -3.642 -0.417 -2.189) 4.270 19.577 ( -0.785 0.036 2.895) 2.999 20.111 ( -0.550 -1.222 -1.998) 2.406 20.373 ( 6.966 1.030 1.829) 7.275 ======================= Grid point 123 (55/93) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -12.178 0.000 3.507) 12.673 0.633 ( -16.405 0.000 0.666) 16.419 1.206 ( -21.160 0.000 -10.215) 23.497 1.279 ( -2.334 0.000 -1.867) 2.989 1.307 ( -8.182 0.000 -6.897) 10.701 1.396 ( -0.045 0.000 -5.570) 5.570 1.489 ( 12.491 -0.000 10.850) 16.545 1.738 ( 0.582 -0.000 -5.001) 5.035 1.782 ( 5.754 -0.000 8.771) 10.490 1.843 ( -5.214 0.000 -3.054) 6.042 2.050 ( 1.074 -0.000 0.779) 1.327 2.063 ( -2.528 0.000 -11.128) 11.412 2.127 ( -4.468 0.000 -5.181) 6.842 2.218 ( -1.243 0.000 -1.221) 1.743 2.326 ( 2.264 -0.000 3.955) 4.557 2.391 ( -3.397 0.000 -1.142) 3.584 2.557 ( 3.051 -0.000 6.534) 7.211 2.615 ( 7.985 -0.000 10.040) 12.828 2.686 ( 3.382 -0.000 4.067) 5.290 2.695 ( 1.617 -0.000 2.749) 3.189 2.742 ( -0.119 0.000 2.410) 2.413 3.006 ( -1.659 0.000 2.953) 3.387 3.072 ( 2.212 -0.000 -1.727) 2.806 3.139 ( 0.238 -0.000 6.703) 6.708 3.335 ( -6.464 0.000 -3.000) 7.126 3.448 ( -1.543 0.000 1.050) 1.866 3.487 ( -6.595 0.000 -1.565) 6.778 3.522 ( -4.400 0.000 2.260) 4.946 3.713 ( -2.514 0.000 2.155) 3.311 3.728 ( -7.034 0.000 -3.503) 7.858 3.744 ( 0.465 -0.000 -2.670) 2.711 3.775 ( -1.889 0.000 -0.856) 2.074 4.109 ( 5.747 -0.000 -2.465) 6.253 4.240 ( 4.882 -0.000 -1.229) 5.035 4.303 ( 5.977 -0.000 0.714) 6.020 4.349 ( 5.034 -0.000 0.552) 5.064 4.585 ( -3.725 0.000 -1.343) 3.960 4.638 ( -2.545 0.000 -1.347) 2.879 4.868 ( -2.341 0.000 -4.637) 5.195 4.951 ( 4.656 -0.000 3.137) 5.615 5.226 ( -1.364 0.000 -4.505) 4.707 5.385 ( 3.984 -0.000 4.208) 5.795 5.815 ( -1.642 0.000 -1.942) 2.543 5.967 ( 3.217 -0.000 2.778) 4.250 6.597 ( 0.262 -0.000 0.049) 0.266 6.655 ( 1.782 -0.000 -0.312) 1.809 6.904 ( -3.282 0.000 -3.379) 4.710 6.987 ( 0.950 -0.000 2.476) 2.651 7.243 ( -1.028 0.000 -0.529) 1.157 7.294 ( 0.439 -0.000 -0.666) 0.797 7.469 ( -0.911 0.000 -1.121) 1.444 7.534 ( 1.138 -0.000 0.680) 1.326 8.070 ( -0.617 0.000 -0.179) 0.642 8.073 ( -0.439 0.000 0.177) 0.474 16.391 ( -0.002 0.000 0.171) 0.171 16.444 ( 0.661 -0.000 -3.698) 3.757 17.229 ( -1.806 0.000 0.839) 1.992 17.309 ( -0.754 0.000 -0.684) 1.018 18.053 ( -0.994 0.000 1.209) 1.565 18.075 ( -1.495 0.000 -1.120) 1.868 19.011 ( -2.798 0.000 -2.127) 3.515 19.171 ( 3.091 -0.000 2.797) 4.169 19.472 ( -4.673 0.000 -2.323) 5.219 19.589 ( -0.229 0.000 5.158) 5.163 20.085 ( 0.331 -0.000 -2.125) 2.151 20.387 ( 8.131 -0.000 1.730) 8.313 ======================= Grid point 124 (56/93) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -13.912 -6.676 -1.212) 15.479 0.580 ( -12.044 -12.419 2.649) 17.502 0.951 ( -27.352 -4.821 -4.986) 28.217 1.176 ( -7.069 2.413 -3.516) 8.255 1.337 ( 1.063 1.727 -3.934) 4.426 1.376 ( 3.703 -1.731 -1.039) 4.217 1.597 ( 5.761 2.564 5.619) 8.446 1.717 ( -0.207 -0.654 -7.952) 7.981 1.754 ( -3.013 1.755 -2.429) 4.249 1.817 ( 2.860 5.518 2.700) 6.776 1.883 ( 1.581 4.033 0.649) 4.380 2.087 ( -1.752 -0.911 -2.378) 3.091 2.105 ( 0.609 -2.099 -4.526) 5.026 2.220 ( -0.306 -2.147 -1.848) 2.849 2.383 ( -5.244 -1.929 2.135) 5.981 2.443 ( 0.440 -2.692 -1.476) 3.101 2.573 ( 4.154 0.700 3.639) 5.567 2.629 ( -2.046 1.222 7.122) 7.510 2.694 ( 1.790 1.259 1.748) 2.801 2.763 ( 1.763 -0.486 2.702) 3.262 2.808 ( 4.340 -1.898 7.137) 8.566 3.034 ( -0.149 -0.425 1.840) 1.894 3.091 ( 2.947 0.612 -0.242) 3.019 3.195 ( 2.562 1.371 7.776) 8.301 3.288 ( -3.853 -1.625 0.324) 4.194 3.412 ( -2.269 0.299 -1.423) 2.695 3.432 ( -3.197 0.668 -1.916) 3.786 3.511 ( -4.427 -1.121 0.504) 4.594 3.591 ( -5.046 3.200 -0.249) 5.981 3.686 ( -6.465 -1.166 -4.005) 7.694 3.725 ( 0.572 2.032 0.622) 2.200 3.817 ( 1.250 -2.004 1.874) 3.015 4.152 ( 4.590 -0.641 -1.736) 4.949 4.204 ( 5.532 4.847 0.021) 7.355 4.394 ( 1.953 -2.639 -0.617) 3.341 4.465 ( -2.426 0.433 0.706) 2.564 4.519 ( 8.042 -4.677 -0.953) 9.352 4.684 ( -1.774 -5.098 -1.352) 5.564 4.808 ( -2.462 1.294 -4.114) 4.966 5.021 ( 2.826 -2.479 1.594) 4.083 5.219 ( 0.496 -0.935 -3.040) 3.219 5.431 ( 2.599 -0.189 2.581) 3.668 5.791 ( -0.756 0.824 -0.938) 1.460 6.001 ( 2.230 -0.051 2.025) 3.013 6.610 ( 0.318 -0.925 0.347) 1.038 6.670 ( 1.861 0.070 0.065) 1.863 6.854 ( -3.454 0.435 -3.371) 4.846 6.995 ( 0.270 0.552 1.311) 1.448 7.233 ( -0.695 0.099 0.003) 0.702 7.292 ( 0.093 0.122 -0.026) 0.156 7.456 ( -0.528 0.243 -0.632) 0.858 7.542 ( 0.758 0.225 0.347) 0.863 8.061 ( -0.466 0.284 -0.119) 0.558 8.067 ( -0.401 0.341 0.115) 0.539 16.402 ( -0.040 -0.912 0.170) 0.928 16.425 ( -0.806 -0.375 -3.164) 3.287 17.200 ( -1.575 1.804 1.041) 2.612 17.285 ( -0.409 1.584 -0.742) 1.796 18.047 ( -1.620 -0.378 0.583) 1.763 18.067 ( -1.287 -0.737 -0.980) 1.778 18.984 ( -1.857 -0.071 -1.055) 2.137 19.205 ( 3.153 0.442 2.002) 3.761 19.427 ( -3.964 -0.403 -1.878) 4.405 19.594 ( -1.226 1.511 4.388) 4.801 20.090 ( 0.979 -0.577 -0.793) 1.386 20.454 ( 6.750 0.421 0.494) 6.781 ======================= Grid point 132 (57/93) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( -12.536 0.000 6.813) 14.267 0.361 ( -17.289 0.000 6.330) 18.411 0.617 ( -31.491 0.000 4.923) 31.873 1.137 ( -5.898 0.000 -2.103) 6.262 1.377 ( 2.198 -0.000 -1.563) 2.697 1.388 ( 6.193 -0.000 -0.691) 6.231 1.579 ( -6.468 0.000 -5.798) 8.687 1.706 ( 3.719 -0.000 -5.369) 6.531 1.810 ( 7.169 -0.000 2.781) 7.689 1.923 ( -0.061 0.000 2.144) 2.145 1.949 ( -3.781 0.000 -5.690) 6.832 2.036 ( -0.418 0.000 -3.575) 3.600 2.065 ( 2.058 -0.000 -1.205) 2.385 2.167 ( -2.753 0.000 -1.660) 3.215 2.322 ( -3.688 0.000 2.139) 4.263 2.391 ( 1.266 -0.000 1.959) 2.332 2.587 ( 0.004 -0.000 -1.714) 1.714 2.649 ( -0.015 0.000 -1.768) 1.768 2.766 ( 1.205 -0.000 -0.355) 1.256 2.806 ( -0.171 0.000 3.256) 3.260 2.892 ( 4.963 -0.000 9.258) 10.505 3.019 ( -1.402 0.000 1.082) 1.771 3.147 ( 3.360 -0.000 4.056) 5.268 3.223 ( -3.527 0.000 -2.744) 4.468 3.313 ( 7.057 -0.000 9.417) 11.768 3.381 ( -3.549 0.000 -5.168) 6.269 3.398 ( -0.878 0.000 -0.510) 1.016 3.472 ( -2.823 0.000 1.882) 3.393 3.592 ( -3.140 0.000 0.452) 3.173 3.596 ( -4.764 0.000 -0.768) 4.826 3.805 ( 6.922 -0.000 12.382) 14.185 3.813 ( 1.566 -0.000 2.474) 2.928 4.176 ( 4.608 -0.000 -2.280) 5.141 4.321 ( 5.169 -0.000 -0.474) 5.191 4.369 ( -0.396 0.000 -3.342) 3.365 4.419 ( 2.322 -0.000 1.200) 2.614 4.476 ( -5.368 0.000 0.025) 5.368 4.579 ( -2.756 0.000 -1.727) 3.252 4.789 ( -0.919 0.000 -2.126) 2.316 5.022 ( 1.543 -0.000 0.642) 1.671 5.210 ( 1.936 -0.000 -1.443) 2.414 5.454 ( 0.961 -0.000 0.745) 1.216 5.792 ( -0.201 0.000 0.071) 0.213 6.022 ( 1.452 -0.000 1.257) 1.921 6.605 ( 0.267 -0.000 0.557) 0.618 6.691 ( 2.137 -0.000 0.520) 2.199 6.813 ( -3.051 0.000 -2.726) 4.092 7.004 ( -0.431 0.000 0.286) 0.517 7.231 ( -0.371 0.000 0.593) 0.700 7.300 ( 1.271 -0.000 2.146) 2.494 7.455 ( -0.042 0.000 0.068) 0.080 7.550 ( 0.380 -0.000 -0.072) 0.387 8.060 ( -0.330 0.000 -0.068) 0.337 8.067 ( -0.364 0.000 0.065) 0.370 16.395 ( 0.075 -0.000 0.576) 0.581 16.398 ( -0.624 0.000 -1.304) 1.445 17.209 ( -1.413 0.000 0.977) 1.718 17.292 ( -0.459 0.000 -0.670) 0.812 18.031 ( -2.317 0.000 -0.900) 2.486 18.046 ( -0.726 0.000 -0.842) 1.112 18.969 ( -0.854 0.000 0.109) 0.861 19.237 ( 1.947 -0.000 0.837) 2.119 19.383 ( -3.178 0.000 -0.928) 3.311 19.650 ( 1.391 -0.000 2.492) 2.854 20.097 ( 1.724 -0.000 1.182) 2.090 20.499 ( 4.263 -0.000 -1.055) 4.391 ======================= Grid point 133 (58/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 0.928 -0.000 17.008) 17.033 0.657 ( 2.045 -0.000 15.627) 15.760 0.865 ( -0.520 0.000 -12.499) 12.509 0.935 ( -1.423 0.000 -11.195) 11.285 1.204 ( 8.932 -0.000 17.639) 19.772 1.530 ( -4.749 0.000 -11.998) 12.904 1.573 ( 5.830 -0.000 3.985) 7.062 1.690 ( -9.126 0.000 -5.627) 10.722 1.821 ( 3.148 -0.000 1.664) 3.560 1.833 ( -0.724 0.000 1.444) 1.615 1.954 ( 5.480 -0.000 3.354) 6.425 2.019 ( -2.890 0.000 -2.962) 4.139 2.151 ( 9.231 -0.000 10.464) 13.953 2.320 ( 0.889 -0.000 4.206) 4.299 2.341 ( 2.979 -0.000 -1.837) 3.500 2.426 ( -10.111 0.000 -9.699) 14.011 2.541 ( -2.765 0.000 1.037) 2.953 2.559 ( 2.218 -0.000 -0.897) 2.393 2.649 ( -3.018 0.000 -0.234) 3.027 2.715 ( -0.268 0.000 -4.120) 4.129 2.808 ( -3.393 0.000 1.675) 3.783 2.872 ( -3.945 0.000 -4.985) 6.357 3.135 ( -1.339 0.000 0.859) 1.590 3.175 ( 2.459 -0.000 -3.219) 4.051 3.228 ( 6.763 -0.000 2.521) 7.218 3.255 ( -10.258 0.000 -0.864) 10.294 3.335 ( 5.282 -0.000 3.207) 6.179 3.416 ( -3.747 0.000 -4.311) 5.712 3.611 ( 4.978 -0.000 2.304) 5.486 3.655 ( -3.714 0.000 -1.810) 4.131 3.885 ( 0.147 -0.000 1.897) 1.903 3.900 ( -0.292 0.000 0.053) 0.297 4.332 ( -1.342 0.000 1.619) 2.103 4.356 ( 0.946 -0.000 -0.995) 1.373 4.481 ( -2.316 0.000 1.669) 2.855 4.495 ( -3.359 0.000 1.289) 3.598 4.508 ( 5.411 -0.000 0.735) 5.461 4.540 ( 3.062 -0.000 -1.206) 3.291 4.905 ( 4.859 -0.000 3.693) 6.103 4.969 ( -3.531 0.000 -2.872) 4.551 5.288 ( 4.304 -0.000 3.455) 5.519 5.368 ( -4.170 0.000 -4.203) 5.920 5.862 ( 2.183 -0.000 3.474) 4.103 5.938 ( -3.018 0.000 -4.130) 5.115 6.642 ( 0.284 -0.000 1.666) 1.690 6.675 ( -0.607 0.000 -1.610) 1.721 6.881 ( 3.695 -0.000 2.562) 4.496 6.935 ( -2.846 0.000 -2.700) 3.923 7.282 ( 0.258 -0.000 2.504) 2.517 7.332 ( 0.233 -0.000 -2.476) 2.487 7.492 ( 0.622 -0.000 1.575) 1.694 7.522 ( -0.652 0.000 -1.458) 1.598 8.060 ( 0.177 -0.000 0.088) 0.197 8.061 ( -0.175 0.000 -0.090) 0.197 16.435 ( -0.461 0.000 1.986) 2.039 16.478 ( 1.861 -0.000 -2.216) 2.894 17.231 ( -0.355 0.000 1.586) 1.625 17.261 ( 0.400 -0.000 -1.407) 1.463 18.007 ( -0.864 0.000 0.756) 1.148 18.023 ( 0.960 -0.000 -0.868) 1.294 19.053 ( 2.398 -0.000 4.073) 4.726 19.137 ( -2.910 0.000 -4.290) 5.184 19.440 ( 2.684 -0.000 2.787) 3.869 19.493 ( -3.603 0.000 -2.597) 4.441 20.264 ( 1.688 -0.000 6.748) 6.956 20.397 ( -1.760 0.000 -6.513) 6.746 ======================= Grid point 134 (59/93) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 3.156 -2.597 15.892) 16.409 0.793 ( 0.542 -5.433 -5.087) 7.462 0.861 ( 7.486 -3.195 1.322) 8.246 0.925 ( 4.263 -4.216 -11.365) 12.849 1.410 ( 2.511 -1.888 3.686) 4.843 1.436 ( 1.651 -3.093 -2.639) 4.388 1.533 ( -7.801 3.542 -3.427) 9.228 1.605 ( 5.626 5.086 5.528) 9.385 1.823 ( -4.630 -1.116 -1.998) 5.165 1.858 ( -0.076 -0.983 0.722) 1.222 1.963 ( -4.000 0.894 -2.815) 4.973 2.031 ( 4.604 -0.884 0.721) 4.743 2.211 ( -10.177 2.600 -11.304) 15.431 2.272 ( 10.036 1.713 10.901) 14.916 2.353 ( -2.887 -2.608 2.888) 4.845 2.415 ( -1.292 -3.891 -3.308) 5.268 2.544 ( -3.190 -1.859 -0.366) 3.711 2.593 ( 2.629 -1.603 1.988) 3.665 2.627 ( 0.109 2.275 5.098) 5.583 2.705 ( 2.934 -0.937 -3.843) 4.925 2.829 ( 2.168 0.302 3.423) 4.063 2.876 ( 3.610 -1.802 -0.775) 4.108 3.115 ( -0.959 1.219 0.337) 1.587 3.141 ( -2.871 2.034 -1.965) 4.030 3.190 ( -2.216 0.188 0.137) 2.228 3.296 ( 7.070 1.113 2.051) 7.445 3.395 ( -1.263 -2.605 -1.231) 3.146 3.434 ( 3.603 -3.475 0.021) 5.006 3.596 ( -3.120 0.833 -2.827) 4.291 3.637 ( 4.596 2.428 2.244) 5.662 3.877 ( -0.777 1.497 0.852) 1.889 3.888 ( 0.151 0.864 0.278) 0.920 4.297 ( -3.924 2.332 0.030) 4.564 4.333 ( 0.234 1.218 0.832) 1.493 4.470 ( -4.409 -0.724 -1.323) 4.660 4.474 ( -2.325 -0.144 1.098) 2.575 4.567 ( 2.532 -2.239 3.016) 4.530 4.597 ( 1.396 -3.013 -3.847) 5.082 4.920 ( -4.975 -0.637 -3.931) 6.372 4.955 ( 3.326 -0.287 3.075) 4.539 5.309 ( -4.815 -0.290 -3.793) 6.136 5.346 ( 3.756 -0.444 3.319) 5.032 5.888 ( -2.804 0.731 -3.866) 4.832 5.894 ( 2.848 0.622 4.227) 5.135 6.655 ( 0.162 -0.235 1.625) 1.650 6.665 ( -0.499 -0.218 -1.320) 1.428 6.894 ( -3.043 0.109 -3.069) 4.323 6.920 ( 3.242 0.276 2.344) 4.011 7.290 ( 0.212 0.487 2.113) 2.179 7.309 ( -0.435 0.938 -2.194) 2.425 7.501 ( 0.323 0.338 1.101) 1.197 7.506 ( -0.490 0.279 -1.069) 1.208 8.058 ( 0.001 0.265 -0.083) 0.277 8.060 ( 0.337 0.273 0.080) 0.441 16.440 ( -1.093 -0.410 1.246) 1.708 16.471 ( 0.300 0.206 -2.055) 2.087 17.218 ( -0.080 1.875 1.627) 2.484 17.244 ( 1.050 1.573 -1.538) 2.438 18.016 ( -0.336 -1.075 0.587) 1.270 18.041 ( 1.666 -1.032 -0.711) 2.085 19.090 ( -1.345 0.352 -1.959) 2.402 19.091 ( 1.339 0.362 2.183) 2.586 19.465 ( -1.810 -0.628 -2.147) 2.878 19.485 ( 3.539 -0.530 2.821) 4.557 20.300 ( 0.050 0.514 6.223) 6.244 20.339 ( -3.117 0.534 -6.134) 6.902 ======================= Grid point 135 (60/93) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.756 -4.918 3.668) 6.182 0.855 ( 4.465 -4.741 -9.161) 11.240 1.024 ( 6.660 -3.952 0.499) 7.761 1.063 ( 5.761 -7.022 -2.575) 9.441 1.311 ( -6.776 1.625 -5.485) 8.868 1.449 ( -1.585 -2.517 -3.993) 4.979 1.544 ( 1.590 5.880 3.220) 6.890 1.617 ( 2.249 -2.328 6.450) 7.217 1.763 ( -5.865 1.360 -2.262) 6.431 1.847 ( -4.780 0.828 -6.858) 8.400 1.891 ( -1.730 -0.414 1.129) 2.107 2.036 ( -1.254 -0.278 -3.362) 3.599 2.128 ( 2.799 0.315 -0.518) 2.864 2.335 ( -2.711 0.205 -1.395) 3.056 2.409 ( -5.094 -3.128 -2.431) 6.453 2.429 ( 5.957 0.171 12.104) 13.491 2.580 ( 3.982 -1.516 1.175) 4.420 2.644 ( 3.138 0.612 5.919) 6.728 2.651 ( 1.752 -0.601 1.676) 2.498 2.750 ( 2.519 -2.228 -2.181) 4.008 2.845 ( 2.035 1.156 1.297) 2.676 2.938 ( 4.509 -0.433 1.727) 4.848 3.084 ( -2.395 -0.009 1.656) 2.911 3.106 ( 0.699 0.983 0.089) 1.209 3.167 ( 1.298 1.196 -1.416) 2.263 3.311 ( 3.750 2.969 0.639) 4.825 3.447 ( -0.875 -3.457 0.323) 3.581 3.475 ( -0.466 -0.677 -2.005) 2.167 3.616 ( 3.351 -1.104 -0.790) 3.615 3.653 ( 4.485 -1.930 1.523) 5.114 3.833 ( -1.426 2.140 -0.102) 2.573 3.868 ( -0.069 1.085 -0.804) 1.352 4.195 ( -5.860 3.800 -0.290) 6.990 4.325 ( 0.240 1.046 2.297) 2.535 4.383 ( -6.205 1.310 -6.318) 8.952 4.491 ( -1.682 -1.130 2.072) 2.898 4.608 ( -1.228 -0.167 -2.449) 2.745 4.647 ( 2.312 -1.441 2.781) 3.893 4.887 ( -4.707 -3.018 -4.904) 7.437 5.020 ( 2.468 -2.329 3.695) 5.017 5.266 ( -4.343 -1.071 -3.364) 5.597 5.396 ( 2.744 -0.301 2.760) 3.904 5.828 ( -2.555 1.360 -3.475) 4.523 5.930 ( 3.391 0.491 4.555) 5.700 6.663 ( -0.226 -0.144 0.174) 0.319 6.665 ( -0.151 -0.283 0.073) 0.329 6.856 ( -2.654 -0.201 -2.862) 3.908 6.947 ( 2.415 0.480 1.849) 3.079 7.277 ( -0.516 0.985 -1.403) 1.790 7.290 ( 0.363 0.552 1.188) 1.360 7.479 ( -1.097 0.616 -1.380) 1.867 7.512 ( 0.796 0.226 1.258) 1.506 8.052 ( 0.115 0.332 -0.044) 0.354 8.056 ( 0.371 0.412 0.041) 0.556 16.446 ( -1.026 -0.858 0.167) 1.348 16.465 ( -0.201 -0.305 -1.247) 1.300 17.180 ( -0.136 2.603 1.573) 3.044 17.210 ( 1.484 2.347 -1.409) 3.113 18.042 ( -0.138 -1.501 0.404) 1.560 18.078 ( 1.930 -1.456 -0.434) 2.456 19.048 ( -1.881 0.273 -3.205) 3.726 19.118 ( 2.220 0.861 3.750) 4.442 19.462 ( -0.773 -1.095 -2.115) 2.504 19.541 ( 3.595 -0.692 2.392) 4.373 20.249 ( -4.821 1.246 -4.393) 6.641 20.328 ( 0.109 0.494 4.394) 4.423 ======================= Grid point 136 (61/93) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -5.850 -2.798 -11.089) 12.846 0.950 ( 3.904 -3.529 -3.285) 6.204 1.077 ( -0.201 1.156 -4.031) 4.198 1.166 ( 0.683 -3.243 0.873) 3.427 1.298 ( 2.111 -3.314 -1.903) 4.366 1.430 ( -2.969 2.977 1.924) 4.624 1.544 ( 4.532 -2.378 1.884) 5.453 1.597 ( -8.360 -0.072 -4.230) 9.369 1.706 ( 0.120 1.198 2.405) 2.690 1.785 ( -2.003 -0.164 -2.438) 3.160 1.917 ( -0.045 0.147 3.316) 3.319 2.054 ( 3.298 -2.436 -3.754) 5.559 2.147 ( 0.811 0.611 1.646) 1.934 2.262 ( -3.039 1.792 -3.029) 4.650 2.412 ( -5.246 -3.148 -1.247) 6.244 2.534 ( 7.355 2.621 10.037) 12.717 2.633 ( 1.770 2.312 0.218) 2.920 2.658 ( 2.014 -2.138 1.834) 3.463 2.691 ( 3.098 -0.252 2.316) 3.876 2.801 ( 0.987 -1.259 1.459) 2.166 2.855 ( 3.066 -0.324 0.428) 3.113 2.977 ( 1.952 0.371 1.355) 2.404 3.066 ( 0.228 2.759 0.692) 2.853 3.102 ( -0.650 -0.740 1.318) 1.646 3.189 ( 3.825 -1.651 1.475) 4.420 3.279 ( 0.013 1.091 -2.051) 2.323 3.468 ( -1.293 -0.289 -2.149) 2.525 3.507 ( 1.505 -1.627 1.962) 2.961 3.637 ( 1.878 -0.395 0.128) 1.924 3.741 ( 1.189 0.230 -1.289) 1.769 3.812 ( 2.131 -2.235 0.274) 3.100 3.840 ( -1.851 0.362 -2.329) 2.997 4.062 ( -5.729 4.754 -0.438) 7.458 4.295 ( 0.753 2.473 0.471) 2.627 4.313 ( -3.665 -0.644 -2.460) 4.461 4.492 ( -2.561 -0.384 0.419) 2.624 4.562 ( -2.137 1.456 -2.683) 3.726 4.697 ( 1.860 -1.020 1.836) 2.805 4.907 ( -2.129 -3.240 -2.246) 4.480 5.102 ( 1.274 -2.563 2.949) 4.109 5.240 ( -2.809 -0.719 -2.752) 3.998 5.427 ( 1.507 -0.020 1.737) 2.300 5.768 ( -2.032 1.279 -2.562) 3.512 5.974 ( 3.242 -0.015 3.920) 5.087 6.660 ( -0.439 0.263 0.177) 0.541 6.669 ( -0.026 -0.268 -0.267) 0.379 6.833 ( -1.783 -0.502 -2.023) 2.743 6.961 ( 1.414 0.382 1.174) 1.877 7.252 ( -0.367 0.665 -0.871) 1.156 7.289 ( 0.433 0.326 0.709) 0.893 7.454 ( -0.943 0.469 -1.068) 1.500 7.520 ( 0.656 0.099 0.892) 1.111 8.048 ( 0.098 0.173 0.007) 0.199 8.052 ( 0.250 0.340 -0.010) 0.422 16.456 ( -0.486 -0.840 -0.211) 0.993 16.465 ( -0.245 -0.318 -0.625) 0.743 17.142 ( -0.331 1.803 1.494) 2.365 17.176 ( 1.281 1.766 -1.273) 2.526 18.068 ( -0.130 -1.176 0.215) 1.203 18.115 ( 1.381 -0.921 -0.170) 1.669 19.020 ( -1.152 0.111 -1.925) 2.246 19.133 ( 1.590 0.729 2.477) 3.032 19.466 ( -0.550 -0.798 -1.750) 2.001 19.589 ( 2.627 -0.495 1.608) 3.120 20.171 ( -4.083 0.931 -3.096) 5.208 20.338 ( 0.378 0.376 3.042) 3.089 ======================= Grid point 137 (62/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -7.887 0.704 -9.958) 12.722 0.987 ( -0.810 1.027 0.165) 1.319 1.026 ( -2.429 0.325 -2.925) 3.816 1.222 ( 0.669 -0.731 2.406) 2.602 1.349 ( 0.984 -1.378 -4.127) 4.461 1.403 ( 0.173 -1.217 1.053) 1.619 1.524 ( -2.048 0.044 -2.463) 3.203 1.605 ( 1.469 1.830 3.076) 3.869 1.734 ( -0.903 -1.398 -1.051) 1.968 1.754 ( 1.222 0.912 0.981) 1.814 1.917 ( -1.090 0.561 3.367) 3.584 2.103 ( -1.961 1.099 -1.226) 2.561 2.138 ( 2.821 -2.166 -1.049) 3.708 2.214 ( -1.047 0.708 -0.948) 1.579 2.417 ( -1.109 -0.277 -1.041) 1.546 2.538 ( 2.837 1.715 1.063) 3.482 2.622 ( -1.104 1.185 5.656) 5.883 2.707 ( 0.306 0.892 1.388) 1.678 2.728 ( 3.804 -1.126 1.060) 4.107 2.835 ( 0.590 -1.845 -2.432) 3.109 2.908 ( 3.824 -0.249 3.518) 5.202 2.961 ( -1.962 0.541 -1.022) 2.277 3.028 ( 0.592 1.346 0.995) 1.775 3.130 ( 1.518 -0.776 1.953) 2.593 3.246 ( -3.143 -1.160 -3.593) 4.913 3.280 ( 3.076 -1.781 2.392) 4.284 3.428 ( -2.772 0.981 -2.675) 3.975 3.548 ( 1.336 -0.279 0.772) 1.568 3.667 ( 1.150 -0.463 0.577) 1.367 3.710 ( -0.377 1.178 -0.091) 1.240 3.786 ( -3.352 1.156 -0.703) 3.615 3.909 ( 2.806 -1.839 -0.062) 3.355 3.931 ( -2.761 2.212 -0.411) 3.562 4.256 ( 0.227 3.330 2.700) 4.293 4.324 ( -0.438 -3.563 -3.750) 5.191 4.485 ( -0.134 -0.302 -0.491) 0.592 4.516 ( -0.876 0.626 -0.626) 1.246 4.728 ( 0.557 -0.563 -0.004) 0.792 4.923 ( -0.533 0.106 -0.306) 0.624 5.153 ( 0.609 -0.715 1.492) 1.763 5.217 ( -0.952 0.278 -1.792) 2.048 5.441 ( 0.709 -0.053 0.713) 1.007 5.732 ( -0.894 0.182 -1.091) 1.422 6.013 ( 1.821 -0.104 1.933) 2.658 6.653 ( -0.112 0.008 -0.080) 0.137 6.669 ( 0.051 0.227 0.084) 0.248 6.822 ( -0.969 -0.287 -1.150) 1.531 6.970 ( 0.437 -0.055 0.481) 0.652 7.238 ( -0.244 0.250 -0.194) 0.400 7.291 ( 0.237 0.063 0.377) 0.449 7.439 ( -0.423 0.073 -0.475) 0.640 7.527 ( 0.360 -0.084 0.342) 0.503 8.047 ( -0.031 -0.089 0.025) 0.098 8.049 ( 0.029 0.087 -0.029) 0.096 16.460 ( -0.315 0.186 0.033) 0.368 16.465 ( 0.052 0.034 -0.293) 0.300 17.127 ( -0.726 -0.001 1.431) 1.605 17.161 ( 0.771 -0.005 -1.273) 1.489 18.081 ( -0.220 -0.300 -0.056) 0.376 18.129 ( 0.199 0.238 0.064) 0.317 19.004 ( -0.685 0.249 -0.584) 0.934 19.146 ( 1.015 -0.261 0.870) 1.362 19.462 ( -0.729 0.080 -0.868) 1.137 19.613 ( 0.546 0.046 0.833) 0.997 20.124 ( -1.459 0.419 -0.919) 1.774 20.355 ( 1.373 -0.527 0.802) 1.674 ======================= Grid point 138 (63/93) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -1.750 1.253 3.911) 4.465 0.884 ( -7.648 5.656 2.447) 9.822 1.017 ( 0.182 -0.389 0.183) 0.467 1.231 ( -1.562 -0.112 1.890) 2.454 1.318 ( -0.848 1.683 -8.176) 8.390 1.457 ( 2.007 -0.266 -0.491) 2.083 1.514 ( -3.720 4.430 3.964) 7.012 1.557 ( 5.487 -1.093 -0.406) 5.610 1.706 ( 1.189 0.881 0.017) 1.480 1.798 ( -0.728 -1.990 -1.307) 2.490 1.915 ( 0.925 0.928 4.294) 4.490 2.042 ( -4.342 0.618 -1.960) 4.804 2.162 ( 0.133 1.641 -0.471) 1.712 2.227 ( 1.763 -1.654 -0.145) 2.422 2.400 ( 3.799 2.417 0.058) 4.503 2.577 ( -0.191 -3.358 1.655) 3.749 2.595 ( -3.148 2.232 4.928) 6.260 2.688 ( -1.147 0.559 -1.023) 1.636 2.761 ( 3.382 1.136 -1.415) 3.838 2.847 ( 0.132 -0.547 -2.751) 2.808 2.872 ( -6.905 1.354 -1.710) 7.242 2.989 ( 1.511 -1.144 0.098) 1.898 3.047 ( 0.937 -2.012 2.754) 3.537 3.160 ( -0.948 -1.488 -1.985) 2.656 3.230 ( -0.263 -0.681 -1.106) 1.326 3.288 ( -3.109 0.310 -4.905) 5.816 3.416 ( -0.595 -1.208 2.579) 2.909 3.539 ( 0.496 1.894 -0.828) 2.126 3.647 ( -3.382 0.707 -1.253) 3.675 3.700 ( -1.275 0.403 2.757) 3.064 3.747 ( -1.483 2.339 3.931) 4.809 3.850 ( 0.703 0.554 -1.245) 1.533 4.044 ( 6.200 -4.457 1.340) 7.752 4.228 ( 2.174 1.779 2.959) 4.080 4.356 ( -2.877 -2.726 -2.826) 4.868 4.478 ( -0.793 0.357 2.061) 2.237 4.548 ( 5.775 -1.157 -1.789) 6.155 4.730 ( -0.381 -0.152 -1.408) 1.467 4.884 ( 0.062 3.841 0.450) 3.868 5.141 ( 0.614 2.450 -0.930) 2.691 5.208 ( 0.750 0.207 0.244) 0.815 5.448 ( -0.028 -0.192 -0.367) 0.415 5.738 ( 0.407 -1.138 0.475) 1.299 6.022 ( -0.294 0.083 -0.700) 0.764 6.659 ( 0.371 -0.015 0.227) 0.435 6.663 ( 0.288 0.268 0.271) 0.478 6.814 ( -0.156 0.220 -0.267) 0.379 6.976 ( -0.474 -0.525 -0.245) 0.749 7.236 ( -0.137 -0.153 0.572) 0.607 7.295 ( 0.022 -0.210 0.186) 0.281 7.440 ( 0.212 -0.324 0.255) 0.464 7.532 ( 0.012 -0.239 -0.278) 0.367 8.048 ( -0.123 -0.156 -0.046) 0.204 8.051 ( -0.228 -0.361 0.041) 0.429 16.448 ( -0.011 0.982 0.464) 1.086 16.458 ( 0.275 0.794 0.121) 0.849 17.142 ( -1.197 -1.699 1.376) 2.492 17.178 ( 0.309 -1.852 -1.344) 2.309 18.075 ( -0.251 0.645 -0.389) 0.793 18.110 ( -1.086 1.346 0.281) 1.752 18.994 ( -0.200 0.380 0.689) 0.812 19.168 ( 0.354 -1.312 -0.882) 1.620 19.444 ( -0.753 0.961 0.348) 1.269 19.605 ( -1.791 0.343 0.082) 1.825 20.122 ( 1.535 0.042 1.509) 2.153 20.388 ( 2.151 -1.465 -1.693) 3.105 ======================= Grid point 139 (64/93) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -0.705 5.236 9.909) 11.230 0.709 ( -6.504 6.617 8.446) 12.547 1.028 ( -1.490 0.372 3.387) 3.719 1.180 ( -7.111 5.624 -6.555) 11.187 1.224 ( 0.339 1.812 -3.208) 3.701 1.347 ( 0.070 3.450 6.090) 7.000 1.581 ( 1.089 -5.670 0.018) 5.774 1.636 ( 8.454 -0.167 -0.351) 8.463 1.719 ( 4.602 2.332 3.405) 6.182 1.798 ( -2.549 -2.056 -3.050) 4.475 1.944 ( 1.852 -0.204 0.693) 1.988 1.996 ( -4.103 -1.281 -1.300) 4.491 2.125 ( -1.154 1.722 0.530) 2.139 2.265 ( 5.650 1.268 2.999) 6.521 2.384 ( 2.025 2.719 0.594) 3.442 2.541 ( -2.208 2.453 3.347) 4.701 2.643 ( -3.964 -2.945 -4.132) 6.439 2.654 ( -2.376 -0.327 -0.847) 2.544 2.719 ( 2.633 6.416 -1.573) 7.111 2.778 ( -9.496 -2.952 -2.321) 10.211 2.852 ( -0.138 -0.230 -0.837) 0.879 2.994 ( -3.723 -1.275 -2.752) 4.802 3.114 ( 1.692 -2.162 1.358) 3.063 3.149 ( -2.050 -0.898 -4.327) 4.871 3.199 ( -1.361 0.703 -6.168) 6.355 3.301 ( -2.118 -3.833 1.196) 4.539 3.411 ( -0.345 2.445 1.341) 2.810 3.493 ( -1.128 1.586 -1.611) 2.526 3.610 ( -4.632 1.456 0.087) 4.856 3.647 ( -0.923 0.903 2.579) 2.884 3.786 ( 1.325 -2.875 4.204) 5.263 3.858 ( 0.962 -0.049 0.189) 0.982 4.187 ( 6.152 -4.033 0.493) 7.373 4.261 ( 5.888 0.061 5.201) 7.856 4.360 ( -3.114 -1.769 -1.131) 3.755 4.482 ( -0.484 0.548 4.107) 4.171 4.593 ( 5.815 1.110 -3.808) 7.039 4.720 ( -0.926 0.709 -3.027) 3.244 4.808 ( 2.276 4.190 2.696) 5.478 5.080 ( -0.419 3.053 -2.194) 3.783 5.218 ( 2.912 0.687 1.311) 3.267 5.440 ( -1.326 -0.004 -1.675) 2.136 5.777 ( 1.134 -1.499 1.680) 2.521 6.004 ( -1.819 -0.121 -2.634) 3.204 6.648 ( 0.091 0.949 0.802) 1.246 6.678 ( 0.539 -0.663 -0.327) 0.915 6.814 ( 1.396 0.413 1.191) 1.881 6.976 ( -1.377 -0.646 -1.093) 1.873 7.246 ( 0.067 -0.425 1.394) 1.459 7.304 ( 0.235 -0.676 0.012) 0.716 7.455 ( 0.636 -0.505 0.950) 1.250 7.533 ( -0.275 -0.313 -0.830) 0.929 8.051 ( -0.152 -0.303 -0.006) 0.339 8.057 ( -0.334 -0.441 -0.001) 0.554 16.435 ( 0.766 0.883 1.132) 1.627 16.445 ( 0.732 0.992 0.697) 1.417 17.177 ( -1.456 -2.351 1.426) 3.112 17.216 ( 0.065 -2.489 -1.468) 2.891 18.053 ( -0.068 1.135 -0.689) 1.329 18.069 ( -1.863 1.766 0.508) 2.617 18.996 ( 0.615 0.173 1.995) 2.095 19.185 ( -0.815 -1.425 -2.825) 3.267 19.423 ( -0.060 1.260 1.642) 2.071 19.577 ( -3.379 -0.055 -1.047) 3.538 20.158 ( 3.065 -0.219 3.952) 5.006 20.421 ( 1.782 -1.482 -4.138) 4.742 ======================= Grid point 140 (65/93) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -4.963 5.302 12.551) 14.500 0.646 ( 0.916 6.186 14.426) 15.723 0.961 ( -5.126 4.343 -1.255) 6.835 1.015 ( -4.712 1.104 -6.984) 8.496 1.156 ( 2.245 4.663 4.869) 7.105 1.431 ( 6.670 -3.576 4.854) 8.991 1.641 ( -0.644 1.679 -6.145) 6.403 1.693 ( -4.373 -6.985 -3.093) 8.802 1.765 ( 7.363 0.657 7.036) 10.205 1.828 ( 1.716 -1.258 0.302) 2.149 1.915 ( 2.244 2.207 -0.946) 3.286 2.036 ( 0.997 -2.036 1.038) 2.493 2.087 ( -2.484 0.613 0.519) 2.611 2.300 ( 6.712 3.500 6.387) 9.904 2.341 ( 1.941 2.503 -0.270) 3.179 2.512 ( -2.172 0.675 2.128) 3.115 2.559 ( -4.485 0.681 -6.828) 8.198 2.606 ( 0.428 4.416 -1.722) 4.759 2.669 ( -5.446 -2.783 -1.588) 6.319 2.757 ( -4.415 -0.661 -5.660) 7.209 2.846 ( -4.848 -1.080 1.089) 5.085 2.948 ( -6.139 -0.335 -5.844) 8.483 3.132 ( -0.944 -1.014 -2.350) 2.728 3.154 ( 1.632 -1.036 -3.429) 3.936 3.190 ( 2.130 -0.668 0.204) 2.241 3.292 ( -4.033 0.947 1.554) 4.425 3.370 ( -2.197 2.405 -0.209) 3.264 3.471 ( -0.863 0.555 -1.682) 1.970 3.554 ( -0.035 -0.493 0.956) 1.076 3.665 ( -1.656 -1.549 0.200) 2.276 3.869 ( 0.138 -1.099 2.073) 2.350 3.871 ( 0.753 -2.049 1.235) 2.508 4.285 ( 4.118 -2.007 1.171) 4.728 4.350 ( 0.259 -1.537 -0.133) 1.565 4.389 ( 4.850 -2.476 4.049) 6.786 4.488 ( -0.503 0.016 4.169) 4.199 4.554 ( 2.941 4.816 -2.976) 6.380 4.622 ( -1.612 5.512 -1.965) 6.070 4.837 ( 5.146 -0.412 3.805) 6.413 5.015 ( -1.858 1.434 -2.587) 3.493 5.245 ( 4.135 0.565 2.202) 4.719 5.412 ( -2.745 -0.068 -2.926) 4.012 5.823 ( 1.634 -0.945 2.693) 3.289 5.976 ( -2.634 -0.471 -3.770) 4.623 6.638 ( 0.203 0.600 1.282) 1.430 6.684 ( -0.245 -0.255 -1.248) 1.297 6.839 ( 3.250 0.020 2.440) 4.064 6.964 ( -2.229 -0.368 -1.981) 3.005 7.264 ( 0.254 -0.393 2.140) 2.191 7.324 ( 0.755 -1.057 -1.089) 1.695 7.476 ( 0.703 -0.398 1.394) 1.612 7.531 ( -0.468 -0.253 -1.227) 1.338 8.056 ( -0.026 -0.243 0.050) 0.249 8.061 ( -0.311 -0.295 -0.054) 0.432 16.433 ( 0.101 0.539 1.732) 1.817 16.456 ( 2.813 -0.274 -0.018) 2.827 17.212 ( -1.125 -1.693 1.586) 2.578 17.250 ( 0.091 -1.629 -1.470) 2.197 18.026 ( -1.602 1.227 0.656) 2.122 18.031 ( 0.269 0.881 -0.778) 1.205 19.017 ( 1.622 -0.088 3.247) 3.631 19.175 ( -2.314 -0.596 -4.109) 4.753 19.418 ( 1.335 0.773 2.498) 2.935 19.540 ( -4.282 -0.243 -2.571) 5.000 20.212 ( 2.823 -0.301 5.839) 6.492 20.427 ( 0.217 -0.640 -5.809) 5.848 ======================= Grid point 142 (66/93) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 3.539 -0.000 -11.979) 12.491 0.745 ( 2.455 -0.000 9.050) 9.377 0.895 ( 11.016 -0.000 -5.260) 12.208 0.924 ( 9.015 -0.000 9.629) 13.191 1.310 ( 0.156 -0.000 -15.990) 15.991 1.460 ( -10.323 0.000 -4.072) 11.097 1.534 ( 5.517 -0.000 6.752) 8.720 1.731 ( 2.707 -0.000 5.740) 6.346 1.783 ( 0.545 -0.000 2.768) 2.821 1.842 ( -1.787 0.000 -2.762) 3.290 1.905 ( -7.159 0.000 -6.754) 9.842 2.037 ( 1.283 -0.000 1.164) 1.732 2.118 ( -5.571 0.000 -6.521) 8.577 2.289 ( -0.641 0.000 0.232) 0.681 2.322 ( -4.469 0.000 -6.617) 7.985 2.452 ( 4.061 -0.000 10.156) 10.938 2.492 ( -2.787 0.000 2.432) 3.699 2.590 ( 4.008 -0.000 0.853) 4.097 2.697 ( 2.102 -0.000 3.621) 4.188 2.713 ( 4.993 -0.000 1.481) 5.208 2.910 ( 8.722 -0.000 3.918) 9.561 2.922 ( 7.406 -0.000 6.022) 9.546 3.098 ( -6.230 0.000 -0.197) 6.233 3.123 ( -1.047 0.000 0.735) 1.279 3.203 ( 1.501 -0.000 -0.481) 1.577 3.329 ( -0.046 0.000 -5.744) 5.744 3.388 ( 6.934 -0.000 2.453) 7.355 3.452 ( 4.238 -0.000 2.389) 4.865 3.569 ( -1.534 0.000 -1.483) 2.134 3.711 ( 4.282 -0.000 0.549) 4.317 3.888 ( -1.013 0.000 -0.671) 1.215 3.891 ( -0.785 0.000 0.586) 0.979 4.300 ( -4.105 0.000 1.019) 4.230 4.339 ( -2.266 0.000 -0.824) 2.411 4.394 ( -7.032 0.000 -1.813) 7.262 4.428 ( -5.187 0.000 1.754) 5.476 4.562 ( 2.054 -0.000 -1.417) 2.495 4.587 ( 3.613 -0.000 -2.132) 4.195 4.849 ( -6.215 0.000 -3.893) 7.333 4.986 ( 1.492 -0.000 2.075) 2.556 5.242 ( -5.371 0.000 -3.820) 6.591 5.389 ( 3.039 -0.000 3.505) 4.639 5.859 ( -2.244 0.000 -3.062) 3.796 5.942 ( 2.538 -0.000 4.163) 4.875 6.651 ( -0.559 0.000 -1.393) 1.501 6.664 ( 0.304 -0.000 1.954) 1.977 6.853 ( -3.126 0.000 -3.260) 4.517 6.959 ( 2.809 -0.000 1.966) 3.428 7.302 ( -0.646 0.000 -2.450) 2.534 7.304 ( -0.141 0.000 1.792) 1.797 7.494 ( -0.954 0.000 -1.475) 1.757 7.517 ( 0.558 -0.000 1.441) 1.545 8.061 ( 0.175 -0.000 -0.085) 0.195 8.067 ( 0.517 -0.000 0.084) 0.524 16.428 ( -1.926 0.000 0.693) 2.046 16.460 ( -0.569 0.000 -2.594) 2.656 17.246 ( 0.361 -0.000 1.441) 1.486 17.264 ( 1.548 -0.000 -1.454) 2.124 18.009 ( 0.219 -0.000 0.687) 0.721 18.044 ( 2.338 -0.000 -0.758) 2.457 19.054 ( -2.169 0.000 -3.584) 4.189 19.138 ( 2.593 -0.000 4.326) 5.043 19.438 ( -0.503 0.000 -2.193) 2.250 19.530 ( 4.329 -0.000 3.347) 5.472 20.277 ( -4.943 0.000 -6.407) 8.092 20.332 ( -1.181 0.000 6.440) 6.548 ======================= Grid point 143 (67/93) ======================= q-point: ( 0.25 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 4.617 -3.102 -9.182) 10.736 0.803 ( 4.764 -2.500 -3.674) 6.515 1.023 ( 8.291 -2.263 6.088) 10.532 1.073 ( 8.932 -1.690 6.015) 10.900 1.268 ( 2.089 0.544 -9.024) 9.278 1.372 ( -2.938 -2.013 -4.711) 5.905 1.547 ( -7.257 -1.462 -1.792) 7.617 1.686 ( -4.972 2.558 -2.855) 6.278 1.737 ( -3.251 3.456 -5.681) 7.402 1.823 ( 3.527 3.280 4.276) 6.440 1.895 ( 2.254 -1.319 4.112) 4.871 2.020 ( -2.592 0.533 -0.136) 2.650 2.115 ( 0.248 -2.998 -2.235) 3.747 2.270 ( -1.998 -0.921 -5.414) 5.844 2.326 ( 0.130 -1.650 0.426) 1.709 2.489 ( -3.713 -2.305 4.901) 6.567 2.542 ( 1.441 -3.884 4.542) 6.148 2.627 ( 2.976 -0.700 -2.087) 3.701 2.730 ( 0.143 -0.575 -0.886) 1.066 2.785 ( 8.834 1.347 9.369) 12.947 2.943 ( 5.088 4.400 0.958) 6.795 3.000 ( 5.084 1.038 4.108) 6.618 3.094 ( 1.181 -0.456 5.343) 5.491 3.115 ( -0.355 0.069 0.477) 0.599 3.197 ( 1.041 0.795 -0.714) 1.492 3.344 ( 1.795 -1.728 -2.216) 3.335 3.411 ( -0.576 1.506 -1.354) 2.106 3.483 ( 3.734 -0.225 1.036) 3.882 3.614 ( 6.430 -2.293 1.502) 6.990 3.712 ( 3.081 2.255 -1.165) 3.992 3.860 ( -1.366 1.666 -0.424) 2.196 3.874 ( -1.385 0.911 -1.446) 2.200 4.208 ( -5.338 2.982 -1.118) 6.216 4.297 ( -7.047 1.463 -4.304) 8.386 4.348 ( -2.745 -1.589 1.672) 3.586 4.431 ( -5.130 -2.552 1.333) 5.882 4.571 ( 0.675 -0.523 -3.616) 3.715 4.648 ( 3.325 -2.985 1.697) 4.780 4.785 ( -5.156 -0.796 -3.569) 6.321 5.010 ( 0.226 -1.237 1.759) 2.162 5.194 ( -4.411 -1.065 -2.408) 5.137 5.424 ( 1.812 -0.057 2.302) 2.930 5.820 ( -1.839 0.975 -2.339) 3.131 5.977 ( 1.896 0.099 3.382) 3.879 6.646 ( -0.357 -0.569 -1.126) 1.311 6.672 ( -0.045 0.258 1.352) 1.377 6.818 ( -2.201 -0.231 -2.384) 3.253 6.983 ( 2.034 0.492 1.409) 2.523 7.280 ( -0.447 0.597 -1.872) 2.015 7.305 ( -0.139 0.353 0.927) 1.002 7.475 ( -0.919 0.459 -1.262) 1.627 7.526 ( 0.388 0.129 1.092) 1.166 8.060 ( 0.302 0.281 -0.043) 0.414 8.068 ( 0.567 0.350 0.042) 0.667 16.419 ( -1.599 -0.703 -0.200) 1.758 16.447 ( -0.602 -0.394 -1.874) 2.007 17.235 ( 0.363 2.079 1.330) 2.494 17.257 ( 1.868 1.577 -1.300) 2.769 18.024 ( 0.451 -0.831 0.755) 1.210 18.072 ( 2.583 -0.935 -0.639) 2.820 19.024 ( -1.324 0.094 -2.711) 3.018 19.169 ( 1.765 0.733 3.502) 3.989 19.436 ( 0.633 -0.572 -1.904) 2.086 19.581 ( 4.118 0.099 2.910) 5.044 20.198 ( -5.554 0.530 -5.181) 7.614 20.344 ( -2.385 -0.102 5.055) 5.590 ======================= Grid point 144 (68/93) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 2.349 0.936 -5.308) 5.880 0.894 ( 5.060 -5.020 -4.128) 8.237 1.073 ( -1.378 1.210 -2.837) 3.378 1.177 ( 5.938 -1.147 5.082) 7.899 1.272 ( 3.204 -1.036 -1.092) 3.540 1.433 ( 0.490 -2.775 -1.472) 3.179 1.498 ( -4.658 -1.890 -1.781) 5.333 1.600 ( 4.140 3.954 -0.460) 5.743 1.685 ( -2.058 -2.594 -1.574) 3.666 1.791 ( -0.024 2.821 2.353) 3.674 1.922 ( -0.923 -0.526 -0.392) 1.133 2.027 ( 0.217 -1.197 1.263) 1.754 2.152 ( 0.215 -0.754 -1.302) 1.519 2.258 ( 1.686 0.660 -2.983) 3.489 2.326 ( -3.226 -1.418 0.665) 3.586 2.560 ( -2.973 -4.484 4.583) 7.068 2.634 ( 2.179 -2.659 -2.336) 4.156 2.668 ( 0.186 0.657 0.400) 0.792 2.713 ( -0.402 -1.224 0.355) 1.336 2.844 ( 2.186 2.051 3.159) 4.355 2.912 ( 6.302 2.522 1.654) 6.986 3.008 ( 1.170 1.901 0.796) 2.370 3.101 ( -0.916 0.814 -0.831) 1.481 3.143 ( 3.178 0.995 6.137) 6.982 3.196 ( 1.856 0.361 -0.023) 1.891 3.306 ( -1.039 2.705 0.111) 2.900 3.431 ( 0.816 -2.017 -0.761) 2.305 3.537 ( 4.956 -0.536 1.766) 5.288 3.670 ( 2.729 2.001 -1.478) 3.693 3.745 ( 6.396 -2.253 -1.109) 6.872 3.803 ( -0.936 1.418 -3.101) 3.536 3.831 ( -2.177 0.839 -0.268) 2.348 4.101 ( -4.337 4.275 -0.782) 6.140 4.219 ( -4.867 -1.589 -4.680) 6.936 4.350 ( -2.161 0.576 3.647) 4.279 4.437 ( -4.843 -2.341 0.713) 5.426 4.552 ( -0.788 0.787 -3.344) 3.525 4.701 ( -0.367 -0.083 2.045) 2.079 4.810 ( 0.425 -5.117 -1.266) 5.289 5.056 ( -1.005 -3.062 1.348) 3.493 5.188 ( -1.864 -1.836 -0.963) 2.788 5.441 ( 0.431 0.027 1.013) 1.101 5.773 ( -1.192 1.529 -1.414) 2.400 6.004 ( 1.065 -0.293 1.960) 2.250 6.654 ( -0.152 -0.839 -0.756) 1.139 6.664 ( -0.792 0.465 0.088) 0.923 6.807 ( -0.458 -0.440 -0.416) 0.759 6.989 ( 1.102 0.834 0.715) 1.556 7.258 ( -0.127 0.686 -1.130) 1.328 7.300 ( 0.001 0.342 0.257) 0.427 7.454 ( -0.530 0.582 -0.758) 1.092 7.529 ( 0.137 0.149 0.613) 0.645 8.055 ( 0.302 0.411 0.015) 0.510 8.064 ( 0.456 0.567 -0.013) 0.728 16.428 ( -0.608 -1.356 -0.284) 1.513 16.448 ( -0.306 -0.799 -1.014) 1.327 17.194 ( 0.109 2.884 1.373) 3.196 17.226 ( 1.630 2.603 -1.283) 3.328 18.050 ( 0.458 -1.096 0.778) 1.420 18.109 ( 2.016 -1.039 -0.580) 2.341 19.006 ( -0.452 -0.014 -1.471) 1.539 19.172 ( 0.563 1.204 1.854) 2.281 19.449 ( 1.194 -0.594 -1.074) 1.712 19.618 ( 2.899 0.321 1.360) 3.218 20.128 ( -4.412 0.039 -2.875) 5.266 20.344 ( -2.549 -0.250 2.853) 3.834 ======================= Grid point 145 (69/93) ======================= q-point: ( 0.50 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 4.613 2.844 1.192) 5.549 0.996 ( 2.435 -2.057 1.256) 3.426 1.020 ( -0.733 1.674 -2.194) 2.855 1.234 ( 1.195 -0.325 0.813) 1.481 1.304 ( 0.368 -1.030 -0.263) 1.125 1.445 ( 3.026 1.192 1.282) 3.496 1.518 ( 2.193 -1.315 1.759) 3.104 1.622 ( 2.256 -0.483 -3.290) 4.018 1.708 ( 2.015 -0.064 0.538) 2.087 1.776 ( -0.959 -0.090 1.516) 1.796 1.918 ( -0.953 -0.481 0.013) 1.067 2.068 ( -0.091 -2.362 -0.136) 2.367 2.117 ( -4.786 1.017 0.525) 4.921 2.242 ( 2.244 1.618 -0.957) 2.927 2.373 ( 1.825 -3.510 0.144) 3.959 2.579 ( -3.403 2.956 -4.090) 6.086 2.614 ( -4.266 -2.488 2.760) 5.658 2.690 ( 1.547 -3.271 -3.730) 5.197 2.758 ( 2.907 1.305 2.319) 3.942 2.822 ( -0.834 0.807 1.101) 1.600 2.913 ( -3.915 1.184 -0.420) 4.111 2.976 ( 1.540 1.244 -2.010) 2.821 3.058 ( -0.742 0.702 -2.709) 2.895 3.166 ( 1.402 2.201 1.269) 2.902 3.203 ( 0.027 -0.375 3.699) 3.718 3.301 ( 2.272 0.183 2.331) 3.260 3.437 ( 0.444 1.230 -0.444) 1.381 3.577 ( 4.589 1.198 -0.775) 4.806 3.656 ( -2.003 -0.629 -0.419) 2.141 3.737 ( 0.517 1.741 -1.415) 2.303 3.789 ( 0.854 0.344 0.133) 0.930 3.897 ( 7.311 -3.511 -0.027) 8.111 3.973 ( -3.825 4.830 -0.773) 6.209 4.223 ( -2.639 -3.371 -3.173) 5.329 4.317 ( -2.894 2.159 3.283) 4.880 4.455 ( -1.618 -2.428 0.501) 2.960 4.519 ( 0.301 0.785 -0.844) 1.191 4.708 ( -1.581 -0.876 0.726) 1.948 4.900 ( 1.511 -3.005 0.032) 3.363 5.112 ( -1.265 -3.184 1.094) 3.597 5.209 ( 0.512 -0.980 -0.183) 1.121 5.442 ( -0.598 -0.062 -0.163) 0.623 5.738 ( 0.008 1.092 -0.103) 1.097 6.017 ( -0.606 -0.343 -0.352) 0.781 6.651 ( -0.562 0.043 -0.106) 0.574 6.664 ( -0.103 -0.600 -0.426) 0.743 6.816 ( 0.690 -0.119 0.877) 1.122 6.980 ( 0.183 0.749 -0.003) 0.771 7.243 ( 0.067 0.495 -0.377) 0.626 7.295 ( -0.131 0.197 -0.121) 0.266 7.441 ( 0.121 0.362 -0.025) 0.383 7.528 ( -0.203 0.063 0.024) 0.214 8.050 ( 0.173 0.323 0.052) 0.370 8.056 ( 0.243 0.536 -0.048) 0.591 16.450 ( -0.090 -1.070 0.034) 1.075 16.458 ( -0.011 -0.627 -0.380) 0.734 17.151 ( -0.337 2.171 1.407) 2.609 17.184 ( 1.105 2.156 -1.364) 2.780 18.074 ( 0.351 -0.656 0.669) 1.000 18.132 ( 0.863 -0.269 -0.534) 1.050 19.001 ( 0.143 -0.020 -0.143) 0.203 19.157 ( -0.377 0.795 0.027) 0.880 19.463 ( 1.203 0.012 0.054) 1.204 19.627 ( 0.637 0.682 -0.088) 0.937 20.104 ( -1.426 -0.872 -0.025) 1.672 20.342 ( -1.724 -0.896 0.234) 1.957 ======================= Grid point 146 (70/93) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 9.982 2.563 10.976) 15.056 0.956 ( -1.894 4.463 1.990) 5.241 1.035 ( 2.524 0.356 3.425) 4.269 1.241 ( 1.305 0.494 -0.567) 1.506 1.306 ( -1.140 1.045 -0.836) 1.758 1.450 ( 2.155 0.309 -1.331) 2.551 1.585 ( -2.074 2.218 -2.334) 3.830 1.604 ( 7.319 -1.215 3.700) 8.291 1.732 ( -1.862 -1.007 -1.004) 2.343 1.758 ( 3.221 1.561 1.222) 3.782 1.937 ( 0.050 -1.138 2.125) 2.411 2.010 ( -6.687 1.743 -0.660) 6.942 2.147 ( -0.990 -2.096 -2.228) 3.215 2.238 ( 3.145 -0.005 2.483) 4.008 2.459 ( 4.113 -1.765 1.052) 4.597 2.500 ( -4.091 -0.399 -4.071) 5.785 2.611 ( -4.639 -0.424 0.926) 4.749 2.709 ( -4.346 -0.310 -5.374) 6.918 2.730 ( 2.586 3.340 -1.329) 4.428 2.810 ( -0.680 -0.444 0.450) 0.929 2.862 ( -2.218 -0.622 -2.178) 3.170 2.942 ( -6.370 -0.866 -2.083) 6.758 3.059 ( 3.138 0.036 -0.798) 3.238 3.129 ( -1.028 0.476 -1.619) 1.976 3.227 ( -0.442 0.191 3.347) 3.382 3.280 ( -0.872 2.741 -3.115) 4.240 3.433 ( 1.849 0.774 2.958) 3.573 3.570 ( 0.327 1.056 -2.069) 2.346 3.647 ( 0.999 0.895 1.063) 1.712 3.709 ( 0.229 0.809 0.979) 1.291 3.815 ( 1.007 1.703 3.577) 4.087 3.864 ( -1.152 2.414 -1.092) 2.889 4.028 ( 7.213 -3.753 0.090) 8.132 4.230 ( -6.287 -2.336 -1.304) 6.833 4.303 ( 2.667 -0.362 2.541) 3.702 4.489 ( 0.620 -0.738 1.165) 1.512 4.537 ( 1.674 -1.971 -0.329) 2.607 4.707 ( -1.812 -0.560 -0.776) 2.049 4.936 ( 1.346 0.614 0.930) 1.748 5.146 ( -1.459 -0.863 -0.970) 1.953 5.230 ( 2.370 -0.016 1.543) 2.828 5.434 ( -1.277 -0.282 -1.217) 1.786 5.738 ( 1.369 -0.133 1.479) 2.019 6.000 ( -2.564 -0.150 -2.924) 3.892 6.654 ( 0.151 -0.493 0.182) 0.547 6.669 ( -0.115 -0.063 -0.083) 0.155 6.828 ( 1.427 0.310 1.544) 2.125 6.966 ( -0.705 0.306 -0.749) 1.073 7.238 ( 0.186 0.119 0.423) 0.477 7.290 ( -0.366 -0.062 -0.388) 0.538 7.443 ( 0.729 -0.025 0.699) 1.010 7.524 ( -0.549 -0.108 -0.608) 0.826 8.047 ( -0.002 0.075 0.044) 0.087 8.049 ( 0.048 0.274 -0.041) 0.281 16.460 ( 0.056 0.036 0.433) 0.438 16.466 ( 0.273 -0.188 -0.028) 0.333 17.127 ( -0.794 0.398 1.389) 1.648 17.160 ( 0.646 0.354 -1.446) 1.623 18.084 ( 0.304 0.240 0.406) 0.561 18.126 ( -0.345 0.909 -0.371) 1.040 19.005 ( 0.561 0.186 1.130) 1.275 19.142 ( -0.992 -0.333 -1.639) 1.945 19.467 ( 1.152 0.869 1.188) 1.869 19.603 ( -1.488 1.068 -0.880) 2.032 20.132 ( 1.441 -1.266 2.385) 3.060 20.352 ( -0.864 -1.808 -2.267) 3.025 ======================= Grid point 147 (71/93) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -0.740 6.928 5.271) 8.736 0.893 ( 7.847 5.673 10.718) 14.444 1.061 ( 2.589 1.451 1.840) 3.492 1.192 ( -2.554 5.788 -7.159) 9.554 1.268 ( 3.233 0.133 4.803) 5.791 1.475 ( -2.645 4.977 2.540) 6.182 1.478 ( -0.420 -2.563 -1.395) 2.948 1.695 ( 0.215 0.369 -0.572) 0.714 1.755 ( 6.489 -2.483 1.093) 7.033 1.788 ( 2.878 -0.232 3.374) 4.441 1.928 ( -2.720 0.166 -2.702) 3.837 1.983 ( 1.961 -0.756 4.498) 4.964 2.112 ( -4.542 0.750 -2.358) 5.172 2.322 ( 5.544 -2.103 2.362) 6.382 2.476 ( 1.069 2.661 1.217) 3.115 2.484 ( -7.066 -4.105 -6.414) 10.389 2.564 ( -5.932 0.262 -1.850) 6.219 2.649 ( -2.800 1.431 -1.939) 3.694 2.667 ( 1.626 2.352 -0.677) 2.938 2.809 ( -3.436 2.937 -2.828) 5.332 2.837 ( 0.700 -1.450 -0.171) 1.619 2.918 ( -4.296 -2.087 -2.969) 5.623 3.083 ( 1.615 -0.738 0.463) 1.835 3.141 ( 1.273 -2.143 -1.266) 2.796 3.186 ( -0.393 3.531 -5.074) 6.194 3.223 ( -4.743 -1.224 0.764) 4.957 3.448 ( 1.504 0.587 3.635) 3.978 3.534 ( 0.224 2.178 -1.489) 2.648 3.629 ( 1.388 2.811 0.747) 3.223 3.692 ( -2.149 3.481 0.769) 4.163 3.777 ( 0.434 -0.567 4.063) 4.125 3.858 ( 0.341 -0.137 -1.335) 1.385 4.162 ( 5.831 -4.346 0.611) 7.298 4.246 ( -4.197 -4.238 1.112) 6.068 4.355 ( 4.552 0.184 3.258) 5.600 4.511 ( 0.456 0.156 3.494) 3.527 4.585 ( 0.633 -2.374 -3.252) 4.076 4.697 ( -0.572 -0.442 -2.901) 2.990 4.919 ( 2.390 3.437 3.324) 5.345 5.104 ( -2.419 2.038 -3.552) 4.756 5.266 ( 3.630 0.293 3.037) 4.742 5.415 ( -2.239 -0.036 -2.377) 3.265 5.776 ( 2.187 -1.055 2.875) 3.763 5.959 ( -3.569 -0.322 -4.408) 5.681 6.664 ( -0.055 0.382 0.324) 0.504 6.669 ( 0.238 -0.507 -0.069) 0.564 6.846 ( 2.314 0.348 2.176) 3.196 6.950 ( -1.604 -0.125 -1.590) 2.262 7.247 ( 0.348 -0.333 1.221) 1.313 7.289 ( -0.396 -0.537 -0.627) 0.915 7.459 ( 1.009 -0.334 1.248) 1.639 7.518 ( -0.786 -0.311 -1.152) 1.428 8.047 ( 0.005 -0.070 -0.006) 0.070 8.048 ( -0.129 -0.203 0.005) 0.240 16.458 ( 0.304 0.558 0.800) 1.022 16.467 ( 0.471 0.433 0.188) 0.667 17.136 ( -1.023 -1.411 1.479) 2.286 17.170 ( 0.476 -1.577 -1.579) 2.282 18.075 ( 0.445 1.084 0.059) 1.173 18.092 ( -0.989 1.807 -0.080) 2.062 19.017 ( 1.162 0.111 2.365) 2.638 19.135 ( -1.630 -1.088 -3.110) 3.676 19.464 ( 1.524 1.408 2.058) 2.923 19.559 ( -2.487 1.181 -1.359) 3.070 20.188 ( 2.526 -1.102 4.327) 5.130 20.369 ( -0.908 -2.186 -4.428) 5.021 ======================= Grid point 148 (72/93) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -0.032 7.197 10.593) 12.807 0.874 ( 7.014 6.850 5.777) 11.379 0.969 ( -3.419 6.187 -10.442) 12.610 1.035 ( 1.329 5.535 -4.042) 6.981 1.361 ( 8.619 2.716 11.571) 14.681 1.428 ( 1.249 -1.592 4.704) 5.121 1.519 ( -3.981 -4.269 -2.191) 6.235 1.605 ( -7.631 2.383 -7.101) 10.693 1.841 ( 3.109 -0.870 2.625) 4.161 1.849 ( 2.486 -0.385 1.301) 2.832 1.959 ( 6.209 -1.460 1.637) 6.585 2.017 ( -5.029 0.025 -3.469) 6.109 2.092 ( 6.926 -1.061 9.066) 11.459 2.324 ( -10.184 -1.108 -10.713) 14.823 2.437 ( 0.947 3.534 5.340) 6.473 2.483 ( 1.794 1.185 -1.533) 2.641 2.543 ( 1.325 -1.349 -0.556) 1.971 2.565 ( -5.604 -1.095 -2.197) 6.118 2.657 ( -2.951 2.987 1.947) 4.628 2.719 ( 1.581 1.441 -3.444) 4.054 2.843 ( -2.644 0.979 1.564) 3.224 2.900 ( 0.313 0.267 -3.996) 4.017 3.105 ( -0.319 -0.564 -1.266) 1.422 3.125 ( 0.399 -0.239 -3.457) 3.488 3.205 ( 4.493 -1.928 1.045) 4.999 3.214 ( -5.888 -2.150 0.354) 6.278 3.450 ( 0.214 3.072 2.475) 3.951 3.495 ( 1.574 2.097 -1.699) 3.125 3.573 ( 0.733 1.999 2.307) 3.140 3.627 ( -1.421 0.813 -2.673) 3.135 3.836 ( 0.270 -2.396 2.764) 3.668 3.864 ( 0.257 -0.861 -0.220) 0.925 4.273 ( 1.696 -2.646 1.165) 3.352 4.292 ( -2.990 -3.415 -0.306) 4.549 4.419 ( 5.263 -0.686 5.496) 7.640 4.511 ( -1.395 0.219 -0.323) 1.449 4.592 ( -0.986 0.647 -0.536) 1.295 4.669 ( -0.393 1.774 -4.497) 4.851 4.911 ( 4.334 1.993 5.377) 7.188 5.013 ( -3.492 2.516 -4.666) 6.348 5.305 ( 3.941 0.611 3.255) 5.147 5.373 ( -3.550 0.456 -3.457) 4.976 5.834 ( 2.667 -1.177 3.847) 4.827 5.919 ( -3.418 -0.788 -4.508) 5.712 6.656 ( -0.039 0.546 0.952) 1.098 6.674 ( -0.105 -0.124 -0.796) 0.812 6.877 ( 3.107 -0.072 2.535) 4.011 6.927 ( -2.442 -0.243 -2.441) 3.462 7.266 ( 0.433 -0.610 1.834) 1.981 7.298 ( -0.265 -1.101 -1.193) 1.645 7.481 ( 0.916 -0.415 1.552) 1.849 7.512 ( -0.849 -0.445 -1.486) 1.769 8.051 ( 0.102 -0.305 0.053) 0.326 8.053 ( -0.100 -0.343 -0.056) 0.361 16.451 ( -0.230 0.707 1.093) 1.321 16.468 ( 0.998 0.032 -0.378) 1.068 17.172 ( -0.761 -2.330 1.689) 2.977 17.206 ( 0.658 -2.335 -1.666) 2.943 18.048 ( -1.014 1.814 0.395) 2.115 18.056 ( 1.053 1.482 -0.453) 1.873 19.045 ( 1.985 -0.288 3.532) 4.061 19.121 ( -2.364 -0.848 -4.036) 4.753 19.465 ( 2.405 1.239 2.490) 3.677 19.509 ( -2.568 0.999 -1.857) 3.322 20.250 ( 1.899 -0.794 5.909) 6.257 20.370 ( -1.941 -1.598 -6.006) 6.511 ======================= Grid point 151 (73/93) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 5.712 -0.000 -9.220) 10.846 0.821 ( 9.796 -0.000 -4.931) 10.967 1.100 ( 0.812 -0.000 7.998) 8.039 1.166 ( 7.967 -0.000 5.555) 9.713 1.288 ( -4.940 0.000 0.004) 4.940 1.313 ( 14.471 -0.000 -8.153) 16.610 1.458 ( -7.972 0.000 -0.280) 7.977 1.563 ( -7.170 0.000 -7.181) 10.148 1.798 ( -3.061 0.000 -1.810) 3.556 1.909 ( 1.438 -0.000 5.429) 5.616 1.949 ( 4.630 -0.000 3.810) 5.997 2.014 ( -1.141 0.000 -3.463) 3.646 2.045 ( 1.386 -0.000 0.318) 1.422 2.241 ( 1.660 -0.000 -4.035) 4.363 2.314 ( 1.873 -0.000 -0.404) 1.916 2.480 ( -2.098 0.000 3.309) 3.918 2.490 ( -2.122 0.000 5.228) 5.642 2.639 ( 3.412 -0.000 -4.498) 5.646 2.714 ( -3.001 0.000 1.007) 3.165 2.879 ( 4.336 -0.000 0.983) 4.446 3.030 ( 1.030 -0.000 3.104) 3.271 3.043 ( 0.807 -0.000 -5.526) 5.585 3.113 ( -0.427 0.000 5.486) 5.503 3.189 ( 6.592 -0.000 10.098) 12.059 3.199 ( 2.428 -0.000 3.295) 4.093 3.351 ( 6.718 -0.000 -3.915) 7.775 3.410 ( -3.173 0.000 -1.161) 3.378 3.520 ( 4.033 -0.000 0.910) 4.134 3.661 ( 6.824 -0.000 2.968) 7.441 3.738 ( 1.316 -0.000 -3.698) 3.925 3.862 ( -0.630 0.000 -1.475) 1.604 3.867 ( -1.654 0.000 -1.216) 2.053 4.192 ( -7.485 0.000 -6.392) 9.843 4.220 ( -5.118 0.000 0.128) 5.120 4.311 ( -3.680 0.000 0.010) 3.680 4.353 ( -5.972 0.000 1.282) 6.108 4.586 ( 2.159 -0.000 0.276) 2.176 4.629 ( 4.254 -0.000 -2.424) 4.896 4.737 ( -3.304 0.000 -0.200) 3.310 4.998 ( -1.483 0.000 0.554) 1.583 5.138 ( -3.789 0.000 -0.828) 3.878 5.442 ( 0.577 -0.000 1.166) 1.301 5.807 ( -1.294 0.000 -1.377) 1.890 5.998 ( 0.266 -0.000 1.775) 1.795 6.632 ( -0.293 0.000 -1.207) 1.242 6.676 ( -0.967 0.000 0.020) 0.967 6.797 ( -0.228 0.000 -0.048) 0.233 7.008 ( 1.385 -0.000 0.874) 1.637 7.274 ( -0.220 0.000 -1.709) 1.723 7.309 ( -0.356 0.000 0.261) 0.442 7.468 ( -0.648 0.000 -0.944) 1.144 7.533 ( 0.037 -0.000 0.725) 0.726 8.066 ( 0.439 -0.000 0.004) 0.439 8.077 ( 0.618 -0.000 -0.003) 0.618 16.397 ( -1.201 0.000 -0.422) 1.273 16.429 ( -0.494 0.000 -1.713) 1.783 17.265 ( 0.359 -0.000 1.297) 1.346 17.283 ( 2.142 -0.000 -1.399) 2.558 18.025 ( 0.721 -0.000 1.018) 1.248 18.083 ( 2.723 -0.000 -0.671) 2.804 19.007 ( -0.337 0.000 -1.756) 1.789 19.200 ( 0.479 -0.000 2.153) 2.206 19.435 ( 2.067 -0.000 -1.061) 2.324 19.630 ( 3.475 -0.000 2.691) 4.395 20.132 ( -5.391 0.000 -4.367) 6.938 20.334 ( -4.306 0.000 4.043) 5.907 ======================= Grid point 152 (74/93) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 5.972 -5.464 -3.708) 8.903 0.885 ( 9.402 1.655 -0.527) 9.561 1.073 ( -3.837 1.184 -1.461) 4.274 1.212 ( 0.486 -0.788 0.476) 1.041 1.281 ( -0.021 0.163 -0.654) 0.675 1.414 ( 6.562 -0.815 3.607) 7.532 1.446 ( 2.806 -1.459 -0.184) 3.168 1.577 ( 1.483 -4.040 4.078) 5.929 1.742 ( -2.550 0.270 -3.264) 4.151 1.841 ( 1.862 6.709 -0.239) 6.967 1.955 ( 2.610 2.849 1.265) 4.066 2.005 ( -1.171 -0.752 2.544) 2.900 2.122 ( 2.783 -2.342 -3.154) 4.814 2.267 ( 2.664 -1.985 -1.654) 3.711 2.330 ( -0.455 1.938 1.932) 2.774 2.452 ( -2.816 -3.013 2.187) 4.668 2.583 ( 0.982 -3.824 0.354) 3.964 2.660 ( -0.492 -0.823 -0.451) 1.060 2.669 ( -3.891 -0.770 -1.264) 4.163 2.879 ( -0.802 0.932 -2.611) 2.886 3.006 ( 1.990 1.867 -4.543) 5.300 3.029 ( -1.807 0.829 -0.958) 2.206 3.079 ( -4.262 0.396 -2.340) 4.878 3.251 ( 5.878 2.155 9.230) 11.153 3.260 ( 2.717 3.043 3.836) 5.599 3.351 ( -0.271 1.703 2.162) 2.765 3.412 ( 4.432 -1.515 -1.865) 5.041 3.564 ( 3.371 -0.938 1.668) 3.876 3.725 ( 3.645 0.571 -1.405) 3.948 3.758 ( 5.381 -2.001 0.182) 5.744 3.809 ( -2.006 3.632 -4.539) 6.150 3.839 ( 0.463 0.793 -0.737) 1.177 4.124 ( -2.222 -1.013 -2.665) 3.615 4.144 ( -5.040 2.767 -2.597) 6.309 4.309 ( -5.253 -2.352 2.095) 6.125 4.337 ( -6.200 -3.176 0.219) 6.970 4.572 ( 2.021 2.073 -1.111) 3.101 4.713 ( 0.714 -0.109 2.948) 3.035 4.725 ( 1.737 -3.995 -0.762) 4.423 4.998 ( -2.255 -1.895 0.105) 2.947 5.135 ( -1.338 -1.964 0.904) 2.543 5.443 ( -0.807 0.049 -0.280) 0.856 5.786 ( -0.453 0.945 -0.360) 1.108 6.002 ( -0.934 -0.325 0.074) 0.992 6.632 ( -0.136 -0.756 -1.077) 1.323 6.657 ( -1.726 0.157 -1.175) 2.094 6.812 ( 1.652 -0.040 2.344) 2.868 7.013 ( 0.567 0.663 0.204) 0.896 7.263 ( 0.116 0.380 -1.166) 1.232 7.304 ( -0.321 0.173 -0.270) 0.454 7.458 ( -0.058 0.353 -0.348) 0.498 7.533 ( -0.307 0.111 0.245) 0.408 8.066 ( 0.445 0.340 0.068) 0.564 8.078 ( 0.498 0.424 -0.065) 0.657 16.399 ( -0.322 -1.042 -0.043) 1.092 16.426 ( -0.099 -0.697 -1.140) 1.340 17.252 ( 0.164 2.163 1.284) 2.521 17.278 ( 1.835 1.785 -1.403) 2.920 18.043 ( 0.730 -0.658 1.212) 1.560 18.107 ( 2.079 -0.638 -0.845) 2.333 19.002 ( 0.663 0.084 -0.549) 0.865 19.196 ( -0.935 0.774 0.298) 1.250 19.457 ( 2.774 -0.158 0.142) 2.782 19.655 ( 1.927 0.700 0.684) 2.161 20.079 ( -3.395 -0.285 -1.973) 3.937 20.314 ( -4.991 -0.596 2.084) 5.441 ======================= Grid point 153 (75/93) ======================= q-point: ( 0.50 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 6.926 1.956 6.289) 9.557 0.962 ( 4.301 -4.538 3.728) 7.279 1.033 ( 1.083 0.873 -3.274) 3.558 1.222 ( -1.306 -0.873 0.102) 1.574 1.305 ( 3.062 -2.071 0.334) 3.712 1.470 ( 2.327 0.209 -3.286) 4.032 1.522 ( 4.240 -1.553 8.953) 10.027 1.628 ( -1.420 0.396 -4.344) 4.588 1.755 ( 0.005 -0.936 1.199) 1.521 1.796 ( 8.581 2.128 4.481) 9.912 1.912 ( 0.644 2.144 -1.527) 2.710 2.030 ( -0.368 -1.913 1.540) 2.483 2.110 ( -3.360 2.488 -1.501) 4.442 2.291 ( 0.323 0.777 2.542) 2.678 2.334 ( 4.207 -1.815 -1.899) 4.959 2.506 ( -4.977 -4.157 -0.253) 6.490 2.562 ( -6.127 2.024 -4.188) 7.692 2.642 ( 2.315 -2.213 -2.289) 3.937 2.752 ( -0.680 -3.818 2.124) 4.422 2.826 ( -4.001 0.425 -4.098) 5.743 2.911 ( -5.358 3.541 -4.338) 7.750 2.986 ( -1.057 1.433 -4.948) 5.258 3.047 ( 0.126 0.298 -0.479) 0.578 3.191 ( -1.597 2.980 -1.151) 3.572 3.299 ( 4.616 2.175 8.232) 9.685 3.359 ( 2.629 2.111 4.384) 5.531 3.457 ( 2.679 -0.303 -0.062) 2.697 3.616 ( -0.651 -1.360 0.865) 1.739 3.669 ( 2.731 5.147 -4.244) 7.208 3.741 ( -0.373 -0.429 -1.226) 1.351 3.818 ( 3.918 0.527 -0.831) 4.040 3.893 ( 6.066 -3.461 0.432) 6.997 4.030 ( -2.446 4.403 -1.325) 5.208 4.144 ( -1.401 -1.949 -1.399) 2.778 4.299 ( -5.791 -1.425 2.029) 6.299 4.370 ( -3.898 -4.203 0.409) 5.747 4.549 ( 2.145 1.583 -0.275) 2.680 4.699 ( -1.464 0.871 1.866) 2.527 4.843 ( 2.619 -4.722 0.722) 5.448 5.038 ( -1.481 -3.737 0.401) 4.040 5.185 ( 1.127 -2.362 1.867) 3.214 5.427 ( -1.860 -0.097 -1.536) 2.414 5.767 ( 0.932 1.264 0.915) 1.818 5.990 ( -2.496 -0.344 -2.068) 3.260 6.640 ( -1.101 -0.295 -0.573) 1.276 6.645 ( -0.059 -1.001 -0.861) 1.321 6.839 ( 2.178 0.305 2.968) 3.695 6.997 ( -0.287 1.060 -0.565) 1.235 7.253 ( 0.365 0.498 -0.451) 0.765 7.295 ( -0.461 0.212 -0.574) 0.766 7.453 ( 0.648 0.420 0.403) 0.871 7.526 ( -0.677 0.157 -0.311) 0.761 8.061 ( 0.314 0.538 0.112) 0.633 8.070 ( 0.273 0.678 -0.105) 0.738 16.425 ( 0.039 -1.507 0.303) 1.538 16.440 ( 0.196 -1.038 -0.589) 1.210 17.207 ( -0.268 3.084 1.413) 3.403 17.238 ( 1.307 2.921 -1.510) 3.538 18.069 ( 0.595 -0.792 1.282) 1.620 18.128 ( 1.005 -0.569 -1.056) 1.565 19.009 ( 1.322 0.134 0.626) 1.468 19.163 ( -1.796 1.024 -1.141) 2.362 19.483 ( 2.628 0.141 1.084) 2.846 19.644 ( -0.248 1.076 -1.230) 1.653 20.077 ( -0.021 -1.281 1.081) 1.677 20.295 ( -4.316 -1.294 -0.407) 4.524 ======================= Grid point 154 (76/93) ======================= q-point: ( 0.62 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 5.827 0.862 7.055) 9.191 1.012 ( 1.736 1.986 -0.736) 2.738 1.094 ( 6.019 -1.954 8.077) 10.261 1.253 ( 2.885 -0.988 0.556) 3.099 1.350 ( 1.597 1.623 4.104) 4.693 1.470 ( 0.477 0.068 -3.226) 3.262 1.533 ( -3.809 -0.024 -3.089) 4.904 1.662 ( 7.482 -1.745 5.406) 9.395 1.739 ( -1.605 1.708 -1.344) 2.702 1.835 ( 4.359 2.425 -0.260) 4.995 1.904 ( -0.127 -0.921 1.664) 1.906 2.007 ( -4.580 3.206 0.750) 5.641 2.086 ( 0.165 -2.634 0.247) 2.651 2.285 ( 1.755 1.312 3.002) 3.717 2.386 ( -2.289 -2.209 -8.534) 9.108 2.470 ( -3.847 -0.045 -3.193) 5.000 2.533 ( -2.657 -2.940 0.622) 4.011 2.676 ( -0.121 0.052 -3.213) 3.215 2.750 ( -4.210 -3.084 -4.574) 6.940 2.803 ( -2.851 -1.370 -0.994) 3.315 2.828 ( -0.099 2.266 1.717) 2.845 2.902 ( -2.601 3.637 -2.806) 5.279 3.057 ( 1.246 -0.731 -0.235) 1.464 3.132 ( -1.502 1.295 -1.797) 2.677 3.297 ( 0.647 4.336 4.472) 6.262 3.328 ( 0.892 3.294 -0.294) 3.425 3.477 ( 2.161 0.567 1.881) 2.920 3.573 ( -1.332 0.831 -2.396) 2.865 3.674 ( 3.000 -0.301 1.633) 3.429 3.740 ( 0.747 0.409 -0.955) 1.279 3.849 ( 3.400 0.276 1.950) 3.930 3.923 ( -2.086 4.110 0.066) 4.610 4.019 ( 6.909 -3.349 -1.519) 7.827 4.125 ( -7.076 -1.110 -0.810) 7.208 4.320 ( 1.904 -1.733 2.318) 3.465 4.423 ( -2.769 -4.380 -0.817) 5.246 4.554 ( 2.883 0.671 1.920) 3.529 4.678 ( -2.496 -0.198 -0.716) 2.604 4.941 ( 2.588 -2.437 2.522) 4.359 5.090 ( -2.019 -2.853 -1.475) 3.794 5.249 ( 2.911 -1.397 2.958) 4.379 5.404 ( -2.382 -0.435 -2.380) 3.395 5.770 ( 2.506 0.733 2.490) 3.608 5.952 ( -3.968 -0.102 -4.139) 5.735 6.644 ( -0.214 -0.717 0.212) 0.777 6.658 ( -0.071 -0.753 -0.579) 0.952 6.863 ( 2.268 0.582 2.847) 3.686 6.966 ( -1.111 0.979 -1.357) 2.009 7.248 ( 0.498 0.360 0.351) 0.707 7.283 ( -0.666 0.117 -0.814) 1.058 7.457 ( 1.147 0.251 1.035) 1.566 7.513 ( -0.998 0.079 -0.886) 1.337 8.054 ( 0.127 0.484 0.108) 0.512 8.058 ( 0.068 0.622 -0.100) 0.633 16.452 ( 0.056 -1.086 0.348) 1.142 16.458 ( 0.286 -0.816 -0.203) 0.888 17.155 ( -0.701 2.419 1.489) 2.926 17.187 ( 0.878 2.433 -1.558) 3.019 18.091 ( 0.470 -0.303 1.152) 1.281 18.132 ( -0.014 0.175 -1.051) 1.066 19.023 ( 1.600 0.229 1.581) 2.261 19.124 ( -2.061 0.524 -2.073) 2.970 19.504 ( 2.281 0.658 1.785) 2.970 19.605 ( -1.813 1.165 -1.861) 2.847 20.129 ( 2.292 -1.834 3.191) 4.336 20.287 ( -3.103 -2.026 -2.727) 4.601 ======================= Grid point 155 (77/93) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 2.889 5.322 2.144) 6.424 1.003 ( 1.221 0.252 -1.344) 1.833 1.188 ( 6.475 3.039 6.477) 9.649 1.264 ( -0.247 3.689 -2.364) 4.388 1.331 ( 2.325 0.683 6.535) 6.970 1.426 ( -1.839 1.274 -2.048) 3.033 1.546 ( 2.908 0.058 3.898) 4.863 1.653 ( -7.962 1.250 -3.927) 8.965 1.783 ( 3.932 -2.179 2.803) 5.298 1.819 ( 1.065 0.661 -0.386) 1.311 1.917 ( 1.882 -0.204 0.947) 2.117 1.972 ( -0.282 -1.143 -0.890) 1.475 2.104 ( 0.314 0.487 3.675) 3.720 2.295 ( -5.979 -0.054 -11.412) 12.883 2.339 ( -1.072 -2.955 3.594) 4.775 2.438 ( -1.512 -1.887 -4.863) 5.431 2.582 ( 0.348 0.225 4.970) 4.988 2.663 ( 1.477 0.374 -1.924) 2.454 2.766 ( -3.544 -0.074 0.239) 3.553 2.774 ( -4.495 2.492 -0.792) 5.200 2.807 ( 3.096 0.357 -0.896) 3.242 2.838 ( 1.067 -2.070 -2.849) 3.680 3.091 ( 1.023 -1.872 -0.229) 2.145 3.102 ( -1.078 -0.060 -0.801) 1.344 3.217 ( -2.402 4.161 1.653) 5.081 3.257 ( 1.792 4.176 -2.452) 5.164 3.493 ( 1.724 0.760 3.175) 3.692 3.544 ( -1.258 0.680 -2.059) 2.507 3.711 ( 1.682 0.106 1.547) 2.287 3.725 ( 0.374 2.227 0.157) 2.264 3.818 ( -2.438 3.569 2.621) 5.055 3.864 ( 1.964 1.606 -1.839) 3.134 4.115 ( -4.652 -4.191 0.893) 6.325 4.133 ( 3.651 -4.265 -0.912) 5.688 4.396 ( 3.863 -1.654 3.346) 5.371 4.464 ( -2.688 -3.177 -3.551) 5.471 4.582 ( 2.170 0.373 4.076) 4.633 4.661 ( -1.443 -0.932 -3.476) 3.878 4.997 ( 2.891 0.584 4.272) 5.191 5.082 ( -3.116 -0.014 -3.843) 4.947 5.310 ( 3.355 -0.522 3.607) 4.953 5.378 ( -2.682 -0.354 -3.115) 4.126 5.805 ( 3.554 -0.087 3.994) 5.347 5.897 ( -4.354 -0.273 -5.044) 6.669 6.660 ( 0.191 -0.683 0.272) 0.760 6.665 ( -0.175 -0.252 -0.199) 0.366 6.884 ( 2.361 0.489 2.572) 3.525 6.931 ( -1.835 0.586 -2.077) 2.833 7.252 ( 0.521 -0.029 1.065) 1.186 7.274 ( -0.625 -0.210 -1.000) 1.197 7.471 ( 1.193 -0.019 1.417) 1.853 7.499 ( -1.092 -0.134 -1.357) 1.747 8.048 ( -0.008 0.215 0.058) 0.222 8.049 ( 0.011 0.282 -0.055) 0.288 16.466 ( 0.102 -0.199 0.347) 0.413 16.470 ( 0.150 -0.310 -0.075) 0.352 17.126 ( -0.886 0.556 1.542) 1.863 17.158 ( 0.763 0.533 -1.556) 1.813 18.097 ( 0.292 0.552 0.829) 1.038 18.113 ( -0.295 1.090 -0.798) 1.383 19.042 ( 1.674 0.188 2.407) 2.938 19.094 ( -1.902 -0.289 -2.741) 3.349 19.515 ( 2.252 1.152 2.190) 3.345 19.556 ( -2.200 1.250 -1.967) 3.205 20.202 ( 2.363 -1.694 4.427) 5.296 20.290 ( -2.290 -2.368 -4.360) 5.464 ======================= Grid point 156 (78/93) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 3.103 6.722 6.209) 9.662 0.959 ( 2.314 3.059 -10.395) 11.080 1.100 ( -2.261 6.452 0.274) 6.842 1.180 ( 5.405 7.387 -1.923) 9.353 1.359 ( -5.186 -0.778 -1.745) 5.527 1.419 ( 4.096 -2.077 2.920) 5.442 1.541 ( -7.846 0.970 -3.290) 8.564 1.591 ( 4.295 2.186 8.428) 9.709 1.812 ( -5.698 -1.898 -2.893) 6.666 1.835 ( 0.726 -1.641 0.876) 1.997 1.933 ( -4.042 -0.603 -4.111) 5.797 2.013 ( 6.869 -0.955 1.100) 7.022 2.164 ( -4.879 -0.263 -4.952) 6.956 2.206 ( 7.347 -1.101 7.510) 10.563 2.397 ( -5.104 -3.764 1.359) 6.485 2.486 ( 1.588 -1.667 -0.776) 2.430 2.573 ( 2.149 2.195 5.052) 5.913 2.596 ( -0.025 4.196 -3.008) 5.163 2.697 ( -3.825 1.339 -1.234) 4.236 2.758 ( 4.008 1.766 1.901) 4.774 2.834 ( -0.194 -0.812 0.214) 0.862 2.893 ( 3.755 -1.763 -1.409) 4.381 3.101 ( -1.439 -0.662 -1.262) 2.026 3.125 ( 0.285 2.720 0.126) 2.738 3.136 ( -2.676 -1.847 0.121) 3.254 3.230 ( 5.308 0.186 -0.103) 5.313 3.497 ( -0.654 1.728 1.489) 2.373 3.510 ( -0.666 0.318 -1.283) 1.480 3.638 ( -2.234 3.605 -0.379) 4.258 3.694 ( 4.031 4.450 0.206) 6.008 3.808 ( -1.188 -1.266 2.332) 2.907 3.852 ( 1.413 -0.166 -1.871) 2.351 4.164 ( -5.974 -4.918 0.501) 7.754 4.246 ( 3.184 -4.037 1.133) 5.265 4.440 ( -4.426 -1.387 -3.533) 5.830 4.476 ( 2.623 -0.425 1.568) 3.085 4.605 ( -0.655 -0.303 3.266) 3.345 4.655 ( 0.808 -0.139 -3.538) 3.632 4.998 ( -2.882 2.434 -1.597) 4.096 5.024 ( 2.270 2.478 1.780) 3.803 5.330 ( -3.486 0.341 -2.496) 4.301 5.363 ( 3.042 0.233 2.103) 3.706 5.851 ( -3.597 -0.934 -4.600) 5.914 5.865 ( 3.907 -0.578 4.836) 6.244 6.664 ( -0.312 0.062 0.315) 0.448 6.670 ( 0.114 -0.135 -0.197) 0.265 6.894 ( -2.369 0.250 -2.497) 3.451 6.912 ( 2.457 0.009 2.129) 3.251 7.266 ( 0.003 -0.596 0.818) 1.012 7.274 ( 0.028 -0.553 -0.587) 0.807 7.484 ( -0.859 -0.400 -0.407) 1.032 7.494 ( 0.777 -0.235 0.351) 0.885 8.047 ( -0.013 -0.121 0.000) 0.122 8.048 ( 0.141 -0.149 -0.003) 0.205 16.464 ( -0.318 0.539 0.328) 0.706 16.472 ( 0.157 0.100 -0.405) 0.446 17.136 ( -0.682 -1.490 1.640) 2.319 17.168 ( 1.030 -1.505 -1.536) 2.384 18.075 ( -0.718 1.580 0.102) 1.739 18.093 ( 1.251 1.320 -0.120) 1.822 19.068 ( -0.156 -0.566 0.382) 0.701 19.076 ( 0.235 -0.296 -0.356) 0.519 19.506 ( -1.782 1.302 -2.057) 3.017 19.522 ( 2.741 1.260 2.262) 3.771 20.260 ( -1.347 -1.591 2.494) 3.250 20.297 ( -0.235 -1.613 -2.537) 3.015 ======================= Grid point 160 (79/93) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 6.541 -0.000 -2.878) 7.146 0.983 ( -4.955 0.000 4.541) 6.721 1.038 ( 9.389 -0.000 -5.443) 10.853 1.191 ( -1.669 0.000 -0.038) 1.669 1.266 ( -2.908 0.000 0.940) 3.057 1.479 ( 7.600 -0.000 -4.236) 8.701 1.512 ( 6.815 -0.000 11.629) 13.479 1.588 ( -1.482 0.000 1.123) 1.859 1.689 ( 2.882 -0.000 6.231) 6.865 1.933 ( -4.373 0.000 -3.252) 5.450 1.979 ( 3.135 -0.000 -0.350) 3.154 2.077 ( 4.859 -0.000 3.757) 6.142 2.101 ( 3.893 -0.000 -0.424) 3.916 2.267 ( 4.732 -0.000 -1.110) 4.861 2.303 ( -1.457 0.000 -2.579) 2.962 2.484 ( -1.692 0.000 4.441) 4.753 2.537 ( 1.862 -0.000 4.287) 4.674 2.607 ( -7.627 0.000 -2.383) 7.991 2.633 ( 0.128 -0.000 -4.229) 4.231 2.842 ( -4.881 0.000 -8.124) 9.477 2.969 ( -9.504 0.000 -4.568) 10.544 2.983 ( 0.377 -0.000 -5.709) 5.721 3.084 ( 1.051 -0.000 1.012) 1.459 3.285 ( -4.119 0.000 -4.548) 6.136 3.370 ( 4.824 -0.000 7.896) 9.253 3.398 ( 3.691 -0.000 6.743) 7.687 3.449 ( 7.261 -0.000 0.548) 7.281 3.582 ( 1.623 -0.000 0.979) 1.895 3.727 ( -1.492 0.000 -1.190) 1.908 3.775 ( 2.694 -0.000 0.204) 2.701 3.839 ( 1.229 -0.000 -0.333) 1.273 3.868 ( 5.719 -0.000 -2.943) 6.432 4.061 ( -1.239 0.000 -4.524) 4.690 4.149 ( -3.320 0.000 -0.058) 3.321 4.237 ( -4.139 0.000 -0.603) 4.183 4.244 ( -7.496 0.000 0.535) 7.515 4.629 ( 1.491 -0.000 1.401) 2.046 4.684 ( 3.860 -0.000 -1.838) 4.275 4.745 ( 0.678 -0.000 4.738) 4.786 4.950 ( -3.293 0.000 -1.358) 3.562 5.122 ( 1.163 -0.000 3.364) 3.560 5.426 ( -2.104 0.000 -1.933) 2.857 5.796 ( 0.565 -0.000 0.698) 0.898 5.982 ( -2.251 0.000 -1.384) 2.642 6.618 ( 0.046 -0.000 -1.154) 1.154 6.635 ( -1.869 0.000 -1.465) 2.375 6.847 ( 2.681 -0.000 3.864) 4.703 7.021 ( -0.187 0.000 -0.489) 0.523 7.264 ( 0.421 -0.000 -0.867) 0.964 7.299 ( -0.506 0.000 -0.618) 0.799 7.463 ( 0.552 -0.000 0.203) 0.588 7.530 ( -0.680 0.000 -0.190) 0.706 8.074 ( 0.441 -0.000 0.136) 0.462 8.085 ( 0.359 -0.000 -0.133) 0.383 16.389 ( 0.024 -0.000 0.465) 0.466 16.415 ( 0.282 -0.000 -1.001) 1.040 17.280 ( -0.128 0.000 1.270) 1.276 17.304 ( 1.707 -0.000 -1.487) 2.264 18.049 ( 0.693 -0.000 1.499) 1.652 18.112 ( 1.434 -0.000 -1.154) 1.841 19.014 ( 1.751 -0.000 0.569) 1.841 19.187 ( -2.149 0.000 -1.273) 2.498 19.486 ( 3.355 -0.000 1.339) 3.612 19.670 ( -0.178 0.000 -1.062) 1.077 20.053 ( -0.417 0.000 -0.069) 0.422 20.265 ( -6.118 0.000 0.766) 6.166 ======================= Grid point 161 (80/93) ======================= q-point: ( 0.50 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 5.137 -5.538 0.651) 7.582 0.936 ( -8.059 -2.633 3.421) 9.142 1.118 ( 11.457 2.653 -1.086) 11.810 1.184 ( -2.085 -1.310 0.723) 2.566 1.291 ( 3.247 -2.665 2.387) 4.831 1.492 ( 0.083 1.254 -2.453) 2.756 1.548 ( -2.394 -1.188 -4.722) 5.426 1.626 ( 7.597 0.317 10.872) 13.267 1.785 ( 2.026 1.930 3.627) 4.581 1.895 ( 2.268 -1.119 3.738) 4.514 1.961 ( 0.803 1.712 -1.582) 2.465 2.070 ( 3.832 4.077 3.791) 6.759 2.133 ( 1.665 1.951 -2.687) 3.715 2.275 ( 1.149 -1.298 1.472) 2.274 2.357 ( 0.028 -2.179 -2.409) 3.249 2.435 ( -1.768 2.638 2.996) 4.366 2.530 ( -4.080 1.161 -2.804) 5.085 2.609 ( 2.756 -2.769 -1.024) 4.039 2.662 ( -2.788 -4.628 0.546) 5.430 2.715 ( -11.721 -0.296 -13.797) 18.106 2.886 ( -5.519 0.666 0.289) 5.566 2.970 ( 1.809 -0.251 -6.296) 6.555 3.082 ( 1.096 1.351 1.757) 2.472 3.207 ( -4.028 1.495 -3.955) 5.839 3.414 ( 3.579 2.358 6.421) 7.720 3.444 ( 2.775 1.637 5.449) 6.330 3.492 ( 4.777 1.214 0.704) 4.979 3.594 ( -1.767 -0.212 -0.127) 1.784 3.707 ( -1.088 -0.117 -1.774) 2.085 3.756 ( -0.475 1.946 -3.107) 3.697 3.866 ( 4.742 0.111 0.508) 4.770 3.888 ( 4.092 0.074 -0.189) 4.097 4.067 ( 0.560 0.815 -2.395) 2.591 4.108 ( -1.504 -0.365 -0.636) 1.673 4.213 ( -4.609 -2.734 1.114) 5.473 4.253 ( -3.871 -4.193 -0.240) 5.711 4.611 ( 2.951 2.455 0.851) 3.932 4.708 ( -2.673 0.872 -0.428) 2.843 4.800 ( 3.758 -3.314 3.795) 6.285 4.951 ( -2.426 -3.358 -1.606) 4.443 5.179 ( 3.491 -1.539 4.756) 6.097 5.392 ( -3.081 -0.159 -3.329) 4.539 5.805 ( 1.998 0.718 1.890) 2.842 5.949 ( -3.402 -0.052 -2.874) 4.454 6.620 ( -1.122 -0.444 -0.656) 1.374 6.623 ( 0.141 -0.775 -1.032) 1.299 6.885 ( 2.714 0.434 3.975) 4.832 7.005 ( -1.014 0.726 -1.334) 1.826 7.263 ( 0.653 0.291 -0.306) 0.778 7.290 ( -0.727 0.130 -0.797) 1.087 7.470 ( 1.121 0.251 0.767) 1.381 7.519 ( -1.019 0.141 -0.658) 1.221 8.074 ( 0.294 0.403 0.181) 0.531 8.082 ( 0.119 0.456 -0.177) 0.503 16.402 ( 0.031 -1.023 0.678) 1.228 16.422 ( 0.520 -0.767 -0.809) 1.230 17.262 ( -0.529 2.170 1.374) 2.623 17.290 ( 1.220 1.993 -1.538) 2.798 18.068 ( 0.476 -0.565 1.667) 1.824 18.119 ( 0.539 -0.467 -1.459) 1.624 19.034 ( 2.422 0.264 1.548) 2.887 19.151 ( -2.803 0.577 -2.169) 3.591 19.520 ( 3.048 0.262 2.045) 3.680 19.644 ( -2.025 0.752 -2.393) 3.224 20.076 ( 2.943 -0.760 2.022) 3.651 20.224 ( -5.638 -1.125 -1.060) 5.847 ======================= Grid point 162 (81/93) ======================= q-point: (-0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -3.063 -2.695 4.021) 5.728 1.018 ( 1.880 -5.034 -0.346) 5.385 1.155 ( 6.686 0.711 4.418) 8.046 1.223 ( -0.138 -3.712 -1.427) 3.979 1.401 ( 4.186 -0.957 1.158) 4.447 1.425 ( -3.202 0.199 -4.416) 5.458 1.549 ( 2.097 0.812 4.042) 4.626 1.691 ( -1.665 0.212 -3.857) 4.206 1.743 ( 0.533 1.035 5.840) 5.955 1.877 ( -0.470 2.001 -5.248) 5.636 1.991 ( 1.814 4.787 7.463) 9.050 2.065 ( 2.231 -1.383 2.884) 3.900 2.072 ( 2.580 3.919 1.923) 5.071 2.283 ( -4.142 -0.735 -10.524) 11.334 2.347 ( 0.652 2.325 4.745) 5.324 2.430 ( -2.648 -0.401 0.506) 2.725 2.476 ( 1.131 -1.260 -1.254) 2.107 2.583 ( -7.204 -2.688 -9.596) 12.296 2.693 ( 0.562 -2.923 1.076) 3.165 2.720 ( -0.364 -3.311 -1.372) 3.603 2.843 ( -4.899 0.937 3.979) 6.381 2.953 ( 3.745 1.448 -6.415) 7.568 3.081 ( 1.434 1.303 3.338) 3.860 3.135 ( -2.828 1.640 -2.070) 3.870 3.395 ( 0.235 4.114 3.633) 5.493 3.422 ( 1.542 4.367 1.441) 4.851 3.511 ( 2.510 0.407 1.536) 2.971 3.552 ( -3.206 0.294 -2.281) 3.946 3.708 ( 2.579 0.505 -0.514) 2.678 3.720 ( -1.818 -0.418 -1.419) 2.344 3.902 ( 2.532 -0.101 0.462) 2.576 3.918 ( -0.591 -0.950 -1.041) 1.528 4.037 ( -2.933 1.178 1.920) 3.698 4.079 ( 0.958 0.751 -2.273) 2.578 4.291 ( 2.877 -4.085 1.129) 5.123 4.308 ( -2.205 -4.693 -0.494) 5.209 4.613 ( 3.855 1.380 1.910) 4.519 4.650 ( -3.806 0.864 -1.609) 4.221 4.922 ( 3.502 -3.871 4.010) 6.582 4.994 ( -2.736 -3.993 -2.764) 5.574 5.265 ( 4.026 -1.592 4.638) 6.345 5.354 ( -3.403 -0.707 -4.027) 5.319 5.825 ( 3.499 0.842 3.236) 4.840 5.899 ( -4.145 0.267 -4.072) 5.816 6.626 ( -0.389 -0.979 0.218) 1.076 6.638 ( 0.246 -0.999 -0.837) 1.326 6.912 ( 2.384 0.836 3.404) 4.239 6.967 ( -1.743 1.098 -2.135) 2.967 7.262 ( 0.577 0.401 0.384) 0.801 7.276 ( -0.743 0.185 -0.927) 1.202 7.479 ( 1.351 0.334 1.158) 1.810 7.502 ( -1.212 0.203 -1.092) 1.644 8.067 ( 0.093 0.632 0.178) 0.663 8.070 ( -0.089 0.682 -0.174) 0.710 16.429 ( -0.080 -1.428 0.497) 1.514 16.441 ( 0.428 -1.089 -0.620) 1.324 17.210 ( -0.940 3.128 1.547) 3.614 17.242 ( 0.814 3.080 -1.578) 3.555 18.090 ( 0.174 -0.661 1.641) 1.777 18.123 ( -0.164 -0.416 -1.534) 1.598 19.057 ( 2.592 0.525 2.163) 3.417 19.104 ( -2.837 0.623 -2.457) 3.805 19.545 ( 2.451 0.588 2.403) 3.482 19.595 ( -2.795 0.867 -2.543) 3.877 20.141 ( 3.783 -1.290 3.453) 5.282 20.205 ( -3.440 -2.058 -2.991) 5.002 ======================= Grid point 163 (82/93) ======================= q-point: (-0.25 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -2.919 -1.694 0.403) 3.399 1.055 ( 4.114 2.282 -3.196) 5.687 1.240 ( -2.586 -0.235 -1.952) 3.249 1.268 ( 0.547 -1.961 -1.815) 2.727 1.355 ( -1.524 -2.347 6.814) 7.367 1.435 ( 0.623 1.546 -3.921) 4.260 1.578 ( -8.177 1.704 -5.705) 10.115 1.623 ( 4.400 0.237 7.862) 9.013 1.750 ( -5.485 -0.467 0.493) 5.527 1.824 ( -1.177 1.449 -2.923) 3.468 1.957 ( 2.428 1.152 2.288) 3.530 2.004 ( 3.873 3.242 -3.994) 6.439 2.154 ( 1.623 -0.143 7.330) 7.509 2.198 ( -1.686 -0.692 -5.790) 6.070 2.322 ( -2.912 1.434 2.360) 4.013 2.416 ( 4.255 -0.807 -0.732) 4.392 2.554 ( -1.338 -3.855 1.929) 4.514 2.631 ( 4.192 -3.786 -1.286) 5.793 2.698 ( -5.509 -1.132 0.263) 5.631 2.782 ( -0.399 0.131 2.114) 2.156 2.808 ( 1.352 -0.409 1.344) 1.950 2.921 ( 5.235 3.633 -3.438) 7.240 3.079 ( -2.033 0.803 -0.593) 2.265 3.088 ( 0.111 0.161 1.571) 1.583 3.307 ( -1.030 5.354 1.271) 5.598 3.350 ( 2.157 4.629 -1.192) 5.244 3.519 ( -2.237 -0.146 -1.336) 2.610 3.533 ( 1.046 0.338 1.516) 1.873 3.713 ( -2.395 -1.406 -1.980) 3.411 3.719 ( -0.077 0.157 0.875) 0.892 3.867 ( -3.630 2.289 0.453) 4.316 3.926 ( 2.734 2.094 -0.368) 3.463 3.994 ( -6.880 -2.857 0.757) 7.488 4.120 ( 5.738 -1.283 -0.427) 5.895 4.358 ( -1.337 -3.033 -1.071) 3.484 4.406 ( 4.252 -3.274 0.621) 5.402 4.593 ( -3.963 -0.170 -1.406) 4.208 4.651 ( 4.335 0.367 1.228) 4.520 5.004 ( -3.373 -2.389 -1.790) 4.505 5.036 ( 2.751 -2.204 2.099) 4.102 5.319 ( -2.915 -0.833 -2.491) 3.924 5.347 ( 3.147 -1.077 2.219) 3.999 5.838 ( -4.031 0.283 -4.321) 5.916 5.864 ( 4.443 0.464 4.439) 6.298 6.647 ( 0.075 -1.023 0.481) 1.133 6.653 ( 0.098 -0.710 -0.562) 0.911 6.918 ( -2.065 0.982 -2.231) 3.195 6.928 ( 1.835 0.845 2.189) 2.978 7.257 ( -0.772 0.125 -0.113) 0.790 7.269 ( 0.643 0.174 0.096) 0.673 7.480 ( -1.255 0.161 -0.807) 1.501 7.494 ( 1.279 0.185 0.744) 1.491 8.056 ( -0.046 0.559 0.123) 0.574 8.056 ( -0.143 0.548 -0.124) 0.580 16.454 ( -0.142 -1.101 0.184) 1.125 16.460 ( 0.145 -0.852 -0.387) 0.947 17.154 ( -1.071 2.401 1.604) 3.080 17.186 ( 0.693 2.443 -1.500) 2.950 18.105 ( -0.481 -0.091 0.874) 1.002 18.118 ( 0.040 -0.007 -0.834) 0.835 19.061 ( -2.165 0.201 -1.709) 2.766 19.081 ( 2.272 0.546 1.754) 2.922 19.544 ( -2.664 0.717 -2.091) 3.462 19.563 ( 2.042 0.849 2.168) 3.097 20.187 ( -2.810 -2.153 -0.876) 3.647 20.235 ( 3.906 -1.495 0.851) 4.268 ======================= Grid point 164 (83/93) ======================= q-point: (-0.12 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -1.291 0.069 -6.234) 6.367 1.015 ( 2.049 3.674 -1.865) 4.602 1.124 ( -6.485 2.580 -4.405) 8.253 1.249 ( -4.784 0.756 -5.153) 7.072 1.365 ( 0.093 3.424 -2.971) 4.534 1.433 ( -1.451 1.886 -0.819) 2.516 1.502 ( 1.521 -2.380 6.055) 6.682 1.675 ( 0.502 0.293 4.405) 4.443 1.686 ( -8.280 -0.225 -2.480) 8.646 1.798 ( -1.905 -1.271 -2.024) 3.056 1.916 ( -0.920 1.054 -0.726) 1.576 2.057 ( 7.611 -0.014 -1.367) 7.733 2.127 ( -1.230 -0.157 -2.006) 2.358 2.261 ( -0.308 -0.641 1.771) 1.909 2.350 ( 6.292 -3.036 9.876) 12.097 2.477 ( 1.069 -0.795 0.367) 1.382 2.583 ( -0.888 -1.159 -1.991) 2.469 2.662 ( -1.183 2.690 5.191) 5.965 2.695 ( 0.999 -1.070 -0.414) 1.521 2.792 ( 2.268 0.052 2.804) 3.607 2.841 ( 1.427 0.091 -1.687) 2.211 2.918 ( 6.888 0.150 0.621) 6.918 3.056 ( -2.813 -0.877 -0.725) 3.034 3.104 ( -0.083 -0.630 1.023) 1.204 3.213 ( 0.944 4.669 1.892) 5.125 3.290 ( 2.438 2.629 -1.999) 4.105 3.491 ( -1.873 0.125 -2.443) 3.081 3.534 ( -0.150 1.197 1.982) 2.320 3.667 ( -2.971 2.003 -0.949) 3.707 3.729 ( -0.831 -1.329 -0.748) 1.737 3.823 ( -0.387 1.044 2.333) 2.585 3.884 ( 1.625 2.991 -2.646) 4.311 4.022 ( -6.016 -4.736 0.494) 7.673 4.205 ( 3.536 -3.243 1.082) 4.918 4.368 ( -2.270 -0.515 -3.384) 4.108 4.483 ( 1.574 -1.584 1.024) 2.457 4.567 ( -2.932 -1.090 -2.164) 3.804 4.683 ( 3.432 0.543 1.330) 3.721 4.978 ( -3.747 0.265 -3.170) 4.915 5.095 ( 2.932 0.339 3.633) 4.680 5.286 ( -3.480 -0.252 -3.461) 4.914 5.398 ( 2.662 -0.308 2.362) 3.572 5.788 ( -3.129 -0.399 -3.660) 4.831 5.920 ( 4.443 0.055 4.862) 6.586 6.658 ( -0.256 -0.295 -0.191) 0.435 6.666 ( 0.179 -0.513 0.172) 0.571 6.871 ( -2.277 0.645 -2.590) 3.508 6.941 ( 1.674 0.353 1.762) 2.456 7.250 ( -0.704 -0.302 -0.611) 0.980 7.277 ( 0.743 -0.082 0.795) 1.091 7.463 ( -1.280 -0.143 -1.206) 1.764 7.507 ( 1.140 0.040 1.042) 1.545 8.048 ( -0.046 0.222 0.031) 0.228 8.049 ( 0.000 0.132 -0.036) 0.136 16.466 ( -0.264 -0.213 -0.040) 0.342 16.469 ( -0.071 -0.280 -0.343) 0.448 17.126 ( -0.822 0.385 1.565) 1.809 17.158 ( 0.891 0.382 -1.366) 1.675 18.091 ( -0.704 0.800 -0.221) 1.089 18.119 ( 0.725 0.407 0.229) 0.863 19.037 ( -1.676 -0.294 -1.989) 2.617 19.101 ( 2.117 0.224 2.342) 3.165 19.501 ( -1.919 0.747 -2.063) 2.915 19.574 ( 2.148 0.886 2.003) 3.068 20.189 ( -3.487 -1.948 -2.857) 4.910 20.298 ( 2.954 -0.877 2.730) 4.117 ======================= Grid point 169 (84/93) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -10.373 0.000 2.848) 10.757 0.858 ( 6.926 -0.000 0.458) 6.941 1.146 ( -4.823 0.000 2.377) 5.377 1.248 ( 11.780 -0.000 -6.055) 13.245 1.285 ( 1.555 -0.000 5.457) 5.674 1.428 ( -4.011 0.000 -8.172) 9.103 1.584 ( 4.508 -0.000 7.071) 8.386 1.745 ( 5.137 -0.000 6.469) 8.261 1.776 ( -4.857 0.000 -5.439) 7.292 1.906 ( -3.836 0.000 -3.028) 4.887 1.988 ( 5.525 -0.000 10.259) 11.653 2.153 ( 2.143 -0.000 -4.987) 5.427 2.229 ( 7.984 -0.000 9.730) 12.587 2.258 ( -0.752 0.000 1.787) 1.939 2.315 ( -0.589 0.000 -2.007) 2.092 2.502 ( -1.856 0.000 2.056) 2.770 2.504 ( -14.862 0.000 -13.618) 20.157 2.542 ( 4.329 -0.000 3.225) 5.398 2.561 ( -6.582 0.000 -2.614) 7.082 2.597 ( 3.437 -0.000 -3.850) 5.161 2.855 ( -4.547 0.000 2.591) 5.233 2.963 ( 3.104 -0.000 -5.386) 6.216 3.111 ( 1.498 -0.000 1.500) 2.120 3.154 ( -4.979 0.000 -3.918) 6.336 3.486 ( 1.685 -0.000 4.768) 5.057 3.504 ( 1.577 -0.000 3.324) 3.679 3.559 ( 2.918 -0.000 0.838) 3.036 3.568 ( -2.482 0.000 -0.587) 2.551 3.700 ( 1.575 -0.000 -0.149) 1.582 3.734 ( -3.133 0.000 -3.010) 4.345 3.880 ( -1.206 0.000 2.533) 2.806 3.945 ( 4.322 -0.000 -3.701) 5.690 4.067 ( -7.647 0.000 -0.103) 7.648 4.081 ( 6.057 -0.000 -1.655) 6.279 4.165 ( -0.411 0.000 1.279) 1.343 4.187 ( -0.085 0.000 -0.854) 0.858 4.663 ( 0.187 -0.000 1.894) 1.903 4.702 ( 0.066 -0.000 -2.053) 2.054 4.808 ( 1.932 -0.000 4.632) 5.018 4.884 ( -1.399 0.000 -3.027) 3.335 5.229 ( 4.988 -0.000 6.035) 7.829 5.340 ( -4.075 0.000 -4.901) 6.374 5.844 ( 3.135 -0.000 2.751) 4.171 5.905 ( -3.630 0.000 -3.247) 4.870 6.604 ( -0.856 0.000 -0.197) 0.879 6.614 ( 0.594 -0.000 -0.948) 1.119 6.931 ( 2.514 -0.000 3.908) 4.647 6.991 ( -1.802 0.000 -2.212) 2.853 7.271 ( 0.826 -0.000 -0.010) 0.826 7.280 ( -0.972 0.000 -0.793) 1.255 7.487 ( 1.427 -0.000 0.996) 1.740 7.507 ( -1.249 0.000 -0.977) 1.586 8.081 ( 0.129 -0.000 0.224) 0.259 8.086 ( -0.127 0.000 -0.223) 0.257 16.396 ( -0.134 0.000 0.798) 0.809 16.415 ( 0.699 -0.000 -1.063) 1.272 17.283 ( -0.947 0.000 1.364) 1.661 17.312 ( 0.817 -0.000 -1.455) 1.668 18.073 ( 0.158 -0.000 1.840) 1.846 18.109 ( -0.137 0.000 -1.700) 1.706 19.070 ( 3.002 -0.000 2.270) 3.764 19.119 ( -3.299 0.000 -2.638) 4.224 19.559 ( 2.681 -0.000 2.774) 3.857 19.615 ( -3.333 0.000 -2.842) 4.380 20.118 ( 5.848 -0.000 2.333) 6.296 20.158 ( -5.365 0.000 -1.736) 5.639 ======================= Grid point 170 (85/93) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -7.537 -6.746 3.135) 10.590 0.937 ( 0.317 -2.960 3.172) 4.350 1.136 ( -2.030 -2.478 -2.873) 4.303 1.249 ( 5.938 2.505 -2.986) 7.103 1.368 ( -2.605 -0.832 -4.672) 5.413 1.395 ( 3.981 -2.921 1.157) 5.072 1.622 ( -6.065 2.373 -3.149) 7.233 1.663 ( 3.463 1.334 4.131) 5.553 1.798 ( -4.795 1.888 -0.411) 5.169 1.862 ( 2.125 -0.395 0.166) 2.167 2.046 ( -5.497 1.931 1.718) 6.074 2.117 ( 1.190 0.163 -0.935) 1.522 2.194 ( -0.873 3.554 -0.340) 3.675 2.215 ( -1.651 4.422 -4.941) 6.834 2.391 ( -5.335 -4.346 -2.207) 7.227 2.420 ( 5.791 0.116 9.931) 11.496 2.477 ( 2.963 1.119 0.590) 3.222 2.513 ( 3.654 2.082 -1.572) 4.490 2.584 ( -5.188 -4.386 0.627) 6.823 2.684 ( 4.931 -4.108 -0.883) 6.478 2.835 ( -4.306 0.467 5.366) 6.896 2.969 ( 4.200 -0.029 -5.466) 6.893 3.108 ( -3.571 -0.212 -1.146) 3.756 3.134 ( 1.952 0.486 2.982) 3.598 3.465 ( -3.206 2.322 1.115) 4.113 3.500 ( -0.919 1.159 0.134) 1.485 3.526 ( -2.375 2.499 -1.608) 3.804 3.565 ( 3.015 1.631 2.422) 4.197 3.690 ( -2.404 0.454 -0.786) 2.570 3.731 ( 2.407 -0.146 -0.979) 2.603 3.853 ( -5.607 0.133 0.552) 5.635 3.935 ( -1.402 0.161 -3.462) 3.739 4.022 ( -2.009 0.420 1.878) 2.783 4.108 ( 2.241 0.144 -0.652) 2.338 4.230 ( 3.606 -2.948 -0.469) 4.681 4.244 ( 4.507 -4.710 0.573) 6.544 4.629 ( -4.293 2.260 -0.682) 4.899 4.688 ( 3.363 0.826 0.950) 3.591 4.874 ( -1.972 -2.920 -1.289) 3.752 4.907 ( 2.908 -3.536 1.060) 4.699 5.284 ( -4.052 -0.666 -5.165) 6.599 5.306 ( 4.519 -0.723 4.974) 6.759 5.857 ( -3.344 0.433 -3.275) 4.701 5.885 ( 3.992 0.398 3.436) 5.282 6.607 ( -0.327 -0.792 0.379) 0.937 6.622 ( 0.821 -0.627 -0.710) 1.254 6.954 ( -2.313 0.697 -2.691) 3.616 6.961 ( 1.847 0.613 2.925) 3.513 7.266 ( -1.051 0.189 -0.538) 1.195 7.277 ( 0.770 0.172 0.253) 0.829 7.489 ( -1.325 0.214 -1.089) 1.729 7.502 ( 1.451 0.181 0.957) 1.747 8.078 ( -0.132 0.433 0.146) 0.475 8.078 ( -0.277 0.424 -0.147) 0.528 16.407 ( -0.246 -0.966 0.627) 1.178 16.422 ( 0.476 -0.751 -1.225) 1.514 17.259 ( -1.355 2.108 1.509) 2.925 17.290 ( 0.430 2.034 -1.435) 2.526 18.086 ( -0.345 -0.499 1.735) 1.838 18.102 ( -0.561 -0.516 -1.674) 1.839 19.075 ( -3.244 0.349 -2.477) 4.097 19.103 ( 3.109 0.440 2.540) 4.039 19.566 ( -3.737 0.467 -2.487) 4.513 19.588 ( 1.948 0.453 2.943) 3.558 20.120 ( -3.789 -1.107 -2.093) 4.468 20.192 ( 7.048 -0.700 2.015) 7.364 ======================= Grid point 171 (86/93) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -7.541 -3.245 2.736) 8.654 1.031 ( -1.868 -7.090 -0.919) 7.389 1.120 ( -4.321 -0.465 -10.152) 11.043 1.266 ( 3.908 -0.624 -1.479) 4.225 1.316 ( -4.172 0.123 -0.620) 4.220 1.451 ( -2.318 1.151 -2.224) 3.412 1.534 ( -0.743 -0.687 0.932) 1.376 1.682 ( -1.276 1.855 -1.352) 2.626 1.713 ( -2.709 0.911 2.247) 3.636 1.824 ( -6.030 2.771 0.196) 6.639 2.003 ( -0.771 -2.246 1.081) 2.609 2.017 ( -3.720 4.119 -8.189) 9.892 2.128 ( 0.730 -0.352 -3.449) 3.543 2.246 ( 3.331 -1.213 7.203) 8.028 2.370 ( -1.156 4.957 -3.250) 6.039 2.464 ( 4.726 -0.065 4.755) 6.705 2.489 ( 3.965 -2.862 2.512) 5.498 2.614 ( -3.342 -2.158 0.545) 4.015 2.657 ( 9.370 -2.810 7.350) 12.236 2.773 ( 0.027 -1.758 0.850) 1.953 2.817 ( -1.181 -0.285 4.393) 4.558 2.983 ( 4.720 0.596 -3.885) 6.142 3.067 ( -2.837 1.045 -1.302) 3.292 3.141 ( 1.512 2.398 3.854) 4.784 3.388 ( -2.345 3.303 -0.450) 4.076 3.436 ( -0.714 4.337 -2.720) 5.169 3.471 ( -3.395 -0.868 -1.425) 3.783 3.574 ( 2.562 1.728 3.006) 4.311 3.652 ( -4.559 -0.362 -1.192) 4.726 3.725 ( -1.006 0.595 -0.035) 1.170 3.824 ( -4.645 -1.632 -1.337) 5.102 3.903 ( -5.780 -1.353 -0.285) 5.943 4.002 ( 2.873 3.281 1.140) 4.507 4.133 ( 1.021 -1.564 -0.195) 1.878 4.327 ( 6.481 -2.071 -0.650) 6.834 4.374 ( 4.739 -4.311 0.053) 6.407 4.554 ( -4.247 0.907 -0.899) 4.435 4.709 ( 3.821 1.101 0.886) 4.074 4.891 ( -4.553 -3.856 -3.711) 7.026 5.018 ( 3.086 -3.796 2.430) 5.463 5.251 ( -3.010 -1.410 -4.491) 5.587 5.375 ( 3.631 -0.699 3.593) 5.156 5.804 ( -2.710 0.908 -2.819) 4.014 5.930 ( 4.227 0.325 3.828) 5.712 6.628 ( 0.081 -1.236 0.665) 1.406 6.640 ( 0.763 -0.659 -0.454) 1.105 6.902 ( -2.724 0.891 -3.171) 4.274 6.971 ( 1.333 0.998 2.138) 2.709 7.251 ( -0.950 0.219 -0.296) 1.019 7.281 ( 0.681 0.232 0.573) 0.920 7.468 ( -1.238 0.297 -1.068) 1.662 7.514 ( 1.283 0.269 0.853) 1.564 8.064 ( -0.366 0.575 -0.167) 0.702 8.067 ( -0.218 0.639 0.162) 0.694 16.430 ( -0.271 -1.342 0.307) 1.403 16.438 ( 0.063 -1.181 -0.925) 1.501 17.204 ( -1.485 2.970 1.618) 3.694 17.237 ( 0.326 2.981 -1.402) 3.310 18.093 ( -1.034 -0.485 -0.323) 1.187 18.107 ( -0.428 -0.793 0.282) 0.944 19.034 ( -2.571 0.162 -1.879) 3.188 19.128 ( 2.862 0.879 2.300) 3.775 19.516 ( -3.517 0.274 -2.147) 4.129 19.603 ( 1.142 0.747 2.678) 3.006 20.113 ( -2.319 -1.850 -2.238) 3.716 20.273 ( 6.562 -0.516 1.775) 6.817 ======================= Grid point 172 (87/93) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -10.367 -1.634 -6.536) 12.364 1.014 ( -6.625 0.281 -6.047) 8.974 1.064 ( -2.987 -0.740 -5.093) 5.950 1.240 ( -0.937 1.784 0.122) 2.019 1.359 ( -0.414 -1.529 -3.201) 3.572 1.443 ( 0.700 -2.572 0.939) 2.826 1.515 ( -0.569 1.851 4.700) 5.083 1.594 ( -6.323 0.762 -3.436) 7.236 1.727 ( -0.213 -0.406 -0.454) 0.645 1.766 ( -0.791 0.562 3.199) 3.343 1.913 ( -2.283 0.477 -2.438) 3.374 2.078 ( 0.641 -2.510 1.537) 3.012 2.129 ( 4.640 0.615 -2.887) 5.500 2.258 ( -2.530 2.383 -1.866) 3.944 2.365 ( 2.016 -4.108 3.021) 5.483 2.503 ( 3.694 1.738 4.039) 5.743 2.571 ( 1.411 -1.321 3.235) 3.769 2.656 ( 2.894 -3.043 1.348) 4.410 2.731 ( -2.436 2.270 4.953) 5.969 2.819 ( 5.508 -2.257 3.260) 6.786 2.862 ( 3.292 -0.019 0.390) 3.315 2.977 ( 2.214 1.529 -1.938) 3.316 3.026 ( -1.778 0.528 0.147) 1.861 3.125 ( 1.200 1.506 3.007) 3.570 3.313 ( 0.149 3.752 1.223) 3.949 3.327 ( -2.333 3.055 -5.441) 6.662 3.458 ( -2.440 -0.321 -2.152) 3.269 3.552 ( -1.960 0.699 1.096) 2.352 3.654 ( 0.310 -1.338 -0.122) 1.379 3.706 ( -1.797 0.378 1.288) 2.243 3.804 ( -4.608 -1.063 -0.613) 4.768 3.897 ( -4.559 -2.765 -0.315) 5.342 3.961 ( 2.432 3.613 0.099) 4.357 4.183 ( 1.420 -2.485 1.065) 3.054 4.375 ( 4.088 1.423 -2.416) 4.957 4.468 ( 2.979 -1.820 -0.428) 3.517 4.518 ( -3.053 -0.619 -0.648) 3.182 4.721 ( 2.511 0.408 -0.246) 2.556 4.912 ( -3.146 -3.016 -1.709) 4.681 5.111 ( 2.375 -2.449 1.737) 3.828 5.235 ( -2.217 -0.788 -2.987) 3.803 5.422 ( 2.208 -0.259 1.869) 2.905 5.756 ( -1.838 0.729 -2.010) 2.819 5.977 ( 3.596 0.081 3.498) 5.018 6.651 ( 0.308 -0.318 -0.111) 0.456 6.655 ( 0.259 -0.911 0.366) 1.015 6.853 ( -2.244 0.585 -2.575) 3.465 6.969 ( 0.771 0.795 1.165) 1.607 7.241 ( -0.615 0.060 -0.136) 0.633 7.286 ( 0.519 0.120 0.655) 0.844 7.449 ( -0.905 0.205 -0.842) 1.253 7.522 ( 0.892 0.218 0.628) 1.113 8.052 ( -0.211 0.355 -0.098) 0.424 8.055 ( -0.206 0.507 0.089) 0.555 16.451 ( -0.366 -1.047 -0.016) 1.109 16.457 ( 0.028 -0.926 -0.333) 0.984 17.149 ( -1.209 2.115 1.538) 2.881 17.183 ( 0.470 2.185 -1.308) 2.590 18.089 ( -0.785 -0.149 -0.616) 1.008 18.120 ( -0.405 -0.651 0.544) 0.940 19.011 ( -1.527 -0.277 -1.109) 1.908 19.140 ( 2.141 0.994 1.615) 2.860 19.480 ( -2.453 -0.045 -1.605) 2.932 19.607 ( 0.509 0.515 1.787) 1.928 20.122 ( -1.462 -1.614 -1.711) 2.769 20.331 ( 4.374 0.081 1.326) 4.572 ======================= Grid point 178 (88/93) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -10.096 0.000 3.630) 10.729 0.910 ( -8.727 0.000 6.408) 10.827 1.097 ( 4.279 -0.000 -5.622) 7.065 1.275 ( 1.125 -0.000 -8.543) 8.617 1.334 ( 0.727 -0.000 -5.741) 5.787 1.432 ( 6.699 -0.000 9.283) 11.448 1.513 ( -13.312 0.000 -6.726) 14.915 1.721 ( -6.886 0.000 -9.221) 11.508 1.782 ( 6.551 -0.000 11.290) 13.053 1.898 ( -1.249 0.000 2.317) 2.632 2.007 ( -6.341 0.000 -13.435) 14.856 2.076 ( -1.815 0.000 2.596) 3.167 2.179 ( -7.468 0.000 -6.564) 9.943 2.259 ( -4.103 0.000 0.275) 4.112 2.292 ( 1.888 -0.000 -0.534) 1.963 2.483 ( -2.966 0.000 5.097) 5.897 2.530 ( 3.522 -0.000 2.784) 4.489 2.580 ( 11.620 -0.000 14.758) 18.784 2.604 ( 3.713 -0.000 -5.152) 6.351 2.643 ( 4.077 -0.000 0.818) 4.159 2.847 ( -2.077 0.000 8.058) 8.321 2.977 ( 4.342 -0.000 -4.649) 6.362 3.075 ( -2.666 0.000 1.402) 3.012 3.176 ( 2.809 -0.000 5.086) 5.810 3.430 ( -7.094 0.000 -1.830) 7.327 3.485 ( -2.862 0.000 -1.277) 3.134 3.542 ( -3.374 0.000 -4.039) 5.263 3.586 ( -0.527 0.000 1.034) 1.161 3.702 ( 2.321 -0.000 1.314) 2.667 3.746 ( 0.855 -0.000 0.861) 1.213 3.822 ( -6.773 0.000 1.058) 6.855 3.874 ( -7.265 0.000 -2.450) 7.667 4.014 ( 2.252 -0.000 -0.062) 2.253 4.156 ( 3.759 -0.000 -0.826) 3.849 4.220 ( 4.503 -0.000 1.103) 4.636 4.249 ( 6.758 -0.000 -0.031) 6.758 4.651 ( -3.320 0.000 1.315) 3.571 4.661 ( -1.996 0.000 -1.817) 2.699 4.842 ( -0.424 0.000 -4.553) 4.573 4.904 ( 4.456 -0.000 3.329) 5.562 5.215 ( -3.651 0.000 -5.728) 6.792 5.361 ( 4.142 -0.000 4.584) 6.178 5.825 ( -2.180 0.000 -2.299) 3.168 5.936 ( 3.781 -0.000 3.051) 4.859 6.599 ( -0.100 0.000 0.652) 0.660 6.624 ( 1.399 -0.000 -0.276) 1.426 6.923 ( -2.990 0.000 -3.583) 4.667 6.994 ( 1.279 -0.000 2.407) 2.726 7.257 ( -1.019 0.000 -0.220) 1.042 7.287 ( 0.597 -0.000 0.458) 0.752 7.475 ( -1.176 0.000 -1.047) 1.574 7.520 ( 1.294 -0.000 0.768) 1.505 8.078 ( -0.508 0.000 -0.216) 0.552 8.082 ( -0.290 0.000 0.212) 0.359 16.398 ( -0.287 0.000 0.656) 0.716 16.411 ( 0.192 -0.000 -1.755) 1.765 17.273 ( -1.751 0.000 1.515) 2.315 17.305 ( -0.001 0.000 -1.289) 1.289 18.082 ( -0.977 0.000 -1.705) 1.965 18.084 ( -0.831 0.000 1.616) 1.817 19.040 ( -3.071 0.000 -2.073) 3.706 19.147 ( 3.099 -0.000 2.604) 4.048 19.525 ( -4.251 0.000 -2.394) 4.879 19.623 ( 1.352 -0.000 3.478) 3.732 20.074 ( -1.913 0.000 -1.958) 2.738 20.260 ( 8.085 -0.000 1.324) 8.193 ======================= Grid point 179 (89/93) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -9.343 -8.376 2.694) 12.833 0.849 ( -14.358 -2.839 3.906) 15.148 1.105 ( 2.776 2.166 -6.450) 7.348 1.252 ( 0.719 -1.415 -4.589) 4.856 1.308 ( 0.150 1.344 -3.788) 4.022 1.367 ( -12.924 -1.600 -0.498) 13.032 1.568 ( 6.297 -0.900 7.744) 10.021 1.630 ( -3.071 -0.040 -9.648) 10.125 1.781 ( -2.060 2.990 -3.324) 4.923 1.843 ( -6.245 5.012 -1.331) 8.118 1.915 ( -1.675 0.060 1.631) 2.339 2.061 ( 0.501 1.694 -1.187) 2.128 2.090 ( -2.582 -1.279 -2.428) 3.767 2.242 ( -1.814 -1.540 1.253) 2.689 2.390 ( 2.158 -4.133 -2.688) 5.382 2.471 ( -0.237 2.133 1.001) 2.368 2.536 ( -1.115 -2.276 1.297) 2.847 2.610 ( 8.103 2.318 3.937) 9.303 2.701 ( 0.436 -3.419 0.357) 3.465 2.771 ( 7.612 -1.377 8.037) 11.155 2.850 ( -0.978 1.909 9.086) 9.336 3.008 ( 5.133 0.102 -1.531) 5.357 3.064 ( -1.213 0.454 0.805) 1.525 3.219 ( 2.792 1.723 5.269) 6.207 3.366 ( -5.618 -0.273 -1.123) 5.736 3.436 ( -3.294 0.807 -2.860) 4.437 3.454 ( -4.135 1.944 -6.183) 7.689 3.589 ( -3.136 -1.196 -0.154) 3.360 3.697 ( -3.626 5.879 2.997) 7.529 3.720 ( 0.620 0.279 1.149) 1.334 3.753 ( -4.710 -1.127 -0.350) 4.856 3.840 ( -3.197 -1.028 -0.294) 3.371 4.073 ( 3.714 -1.946 1.057) 4.324 4.129 ( 2.793 3.360 -0.091) 4.370 4.328 ( 4.849 -4.206 -0.196) 6.421 4.346 ( 8.180 -3.539 -0.375) 8.921 4.557 ( -3.800 3.041 0.358) 4.880 4.715 ( -1.602 -4.033 0.220) 4.345 4.796 ( -1.955 0.753 -4.946) 5.371 4.985 ( 3.224 -2.910 1.612) 4.633 5.185 ( -1.150 -1.392 -4.062) 4.445 5.412 ( 3.029 -0.183 2.950) 4.232 5.795 ( -1.188 0.824 -1.335) 1.967 5.978 ( 3.058 -0.027 2.387) 3.879 6.612 ( 0.142 -0.904 0.846) 1.246 6.640 ( 1.679 -0.260 0.204) 1.711 6.874 ( -3.128 0.440 -3.578) 4.773 7.003 ( 0.498 0.677 1.363) 1.601 7.248 ( -0.776 0.168 0.274) 0.840 7.292 ( 0.425 0.122 0.639) 0.778 7.460 ( -0.797 0.242 -0.656) 1.060 7.531 ( 0.978 0.171 0.431) 1.082 8.069 ( -0.525 0.351 -0.165) 0.653 8.075 ( -0.416 0.410 0.158) 0.605 16.407 ( -0.275 -0.839 0.218) 0.909 16.412 ( -0.154 -0.955 -1.018) 1.405 17.245 ( -1.905 1.955 1.578) 3.153 17.280 ( -0.131 1.910 -1.258) 2.291 18.070 ( -1.087 -0.490 -1.301) 1.765 18.088 ( -1.415 -0.674 0.983) 1.850 19.008 ( -2.289 0.068 -1.172) 2.572 19.177 ( 2.753 0.623 1.999) 3.459 19.477 ( -4.074 0.026 -1.834) 4.468 19.636 ( 0.217 0.913 2.667) 2.827 20.069 ( 0.141 -0.890 -0.918) 1.286 20.333 ( 7.452 -0.112 0.230) 7.456 ======================= Grid point 180 (90/93) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -12.860 -1.290 0.041) 12.925 0.858 ( -10.997 -6.335 -1.338) 12.761 1.038 ( -0.930 1.262 -2.029) 2.564 1.257 ( -2.242 0.996 -1.112) 2.694 1.306 ( 2.121 -3.640 -1.869) 4.609 1.354 ( -6.427 -4.500 2.672) 8.289 1.555 ( -0.449 0.977 -4.877) 4.994 1.585 ( -0.772 4.049 -0.838) 4.207 1.711 ( -3.076 1.073 -1.603) 3.631 1.792 ( 4.605 -0.978 2.244) 5.215 1.889 ( -1.625 0.712 1.201) 2.142 2.063 ( 1.029 -0.337 -1.097) 1.541 2.120 ( -0.183 -2.465 -0.112) 2.474 2.253 ( -3.375 -0.518 -1.348) 3.671 2.350 ( 2.534 1.029 -1.711) 3.226 2.548 ( -2.195 -2.318 4.703) 5.684 2.596 ( 4.770 -0.880 2.623) 5.515 2.648 ( 5.853 -0.452 -0.273) 5.877 2.735 ( -3.573 -1.058 1.627) 4.066 2.821 ( -0.009 -0.668 3.224) 3.293 2.896 ( 0.980 -0.749 4.237) 4.413 3.011 ( 1.980 2.387 -0.720) 3.184 3.054 ( 1.923 1.231 1.592) 2.784 3.196 ( 0.973 2.914 2.048) 3.693 3.299 ( -4.050 1.622 -5.715) 7.190 3.353 ( -3.413 2.054 -5.325) 6.650 3.428 ( -1.215 -1.448 -0.320) 1.917 3.546 ( -5.084 1.379 1.067) 5.375 3.636 ( -0.484 -0.712 1.979) 2.158 3.718 ( -3.761 0.463 1.592) 4.110 3.731 ( -2.546 -0.642 1.559) 3.053 3.840 ( -0.082 -0.578 -0.721) 0.928 4.077 ( 4.875 4.665 1.511) 6.915 4.158 ( 2.654 -2.278 1.305) 3.733 4.403 ( 1.164 -0.651 -1.761) 2.209 4.471 ( 4.884 -1.453 -1.820) 5.411 4.501 ( 0.834 0.072 1.368) 1.604 4.740 ( 0.834 0.806 -1.977) 2.292 4.802 ( -2.576 -5.457 -0.485) 6.054 5.072 ( 2.000 -3.531 0.011) 4.058 5.196 ( 0.133 -1.244 -1.873) 2.253 5.443 ( 1.496 -0.028 1.007) 1.804 5.763 ( -0.359 1.397 -0.418) 1.502 6.010 ( 1.823 -0.196 1.303) 2.249 6.638 ( 0.196 -1.188 0.767) 1.427 6.658 ( 1.382 0.096 0.305) 1.418 6.830 ( -2.170 0.192 -2.366) 3.216 6.993 ( -0.128 0.931 0.415) 1.028 7.240 ( -0.450 0.253 0.577) 0.774 7.295 ( 0.319 0.208 0.616) 0.724 7.448 ( -0.301 0.398 -0.186) 0.533 7.535 ( 0.547 0.259 0.077) 0.611 8.056 ( -0.366 0.417 -0.095) 0.563 8.063 ( -0.393 0.561 0.086) 0.691 16.424 ( -0.255 -1.323 -0.038) 1.348 16.434 ( 0.125 -1.329 0.223) 1.354 17.191 ( -1.671 2.660 1.495) 3.479 17.228 ( 0.034 2.726 -1.282) 3.013 18.069 ( -0.812 -0.756 -0.967) 1.472 18.095 ( -1.665 -1.190 0.663) 2.152 18.992 ( -1.142 -0.225 -0.110) 1.169 19.185 ( 1.858 1.291 0.606) 2.342 19.445 ( -2.833 -0.554 -0.824) 3.002 19.621 ( -1.447 0.793 1.190) 2.034 20.094 ( 1.372 -0.949 0.426) 1.722 20.382 ( 5.289 0.659 -0.864) 5.399 ======================= Grid point 187 (91/93) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -10.458 0.000 5.833) 11.975 0.712 ( -16.811 0.000 5.260) 17.615 1.102 ( -13.509 0.000 1.969) 13.651 1.203 ( -3.036 0.000 -2.396) 3.867 1.266 ( 0.444 -0.000 0.144) 0.467 1.320 ( 1.484 -0.000 -2.427) 2.845 1.572 ( 1.441 -0.000 -9.266) 9.377 1.613 ( -4.302 0.000 -6.801) 8.047 1.728 ( 4.982 -0.000 2.053) 5.388 1.935 ( -0.433 0.000 -0.119) 0.449 1.947 ( 2.042 -0.000 4.689) 5.114 2.043 ( -4.535 0.000 -4.905) 6.680 2.050 ( -1.332 0.000 -0.073) 1.334 2.202 ( -2.442 0.000 0.251) 2.455 2.318 ( 1.067 -0.000 -1.532) 1.867 2.479 ( -2.691 0.000 6.438) 6.978 2.550 ( 1.072 -0.000 -3.513) 3.672 2.627 ( -0.643 0.000 -3.216) 3.279 2.712 ( 5.842 -0.000 1.094) 5.943 2.835 ( 2.151 -0.000 5.144) 5.576 2.921 ( 1.540 -0.000 7.356) 7.515 3.053 ( -0.379 0.000 1.170) 1.230 3.088 ( 6.802 -0.000 3.262) 7.544 3.301 ( 3.346 -0.000 4.703) 5.771 3.301 ( -6.458 0.000 -0.038) 6.458 3.392 ( -6.321 0.000 -9.123) 11.098 3.400 ( -2.309 0.000 -3.777) 4.427 3.542 ( -4.166 0.000 -0.914) 4.265 3.677 ( -5.307 0.000 0.995) 5.399 3.692 ( -6.504 0.000 -0.386) 6.515 3.810 ( 2.249 -0.000 3.707) 4.336 3.818 ( 1.535 -0.000 4.184) 4.457 4.086 ( 5.147 -0.000 1.893) 5.484 4.224 ( 5.235 -0.000 -0.423) 5.252 4.310 ( 4.502 -0.000 0.097) 4.503 4.358 ( 5.584 -0.000 0.349) 5.595 4.584 ( -5.567 0.000 1.564) 5.783 4.610 ( -2.587 0.000 -1.598) 3.041 4.776 ( -1.189 0.000 -4.009) 4.182 4.993 ( 2.978 -0.000 1.145) 3.191 5.156 ( 1.505 -0.000 -2.463) 2.886 5.442 ( 1.740 -0.000 1.396) 2.231 5.795 ( -0.188 0.000 -0.163) 0.249 6.005 ( 1.820 -0.000 0.970) 2.062 6.609 ( 0.236 -0.000 1.016) 1.043 6.659 ( 2.301 -0.000 0.901) 2.471 6.835 ( -3.010 0.000 -3.217) 4.405 7.015 ( -0.338 0.000 0.418) 0.538 7.247 ( -0.489 0.000 0.923) 1.045 7.301 ( 0.547 -0.000 0.891) 1.045 7.457 ( -0.218 0.000 0.021) 0.219 7.540 ( 0.618 -0.000 -0.026) 0.619 8.067 ( -0.528 0.000 -0.115) 0.540 8.076 ( -0.528 0.000 0.111) 0.539 16.394 ( -0.172 0.000 -0.736) 0.756 16.402 ( 0.007 -0.000 0.954) 0.954 17.254 ( -2.101 0.000 1.538) 2.604 17.290 ( -0.399 0.000 -1.171) 1.237 18.050 ( -0.994 0.000 -1.389) 1.708 18.070 ( -2.224 0.000 0.658) 2.319 18.989 ( -1.448 0.000 -0.072) 1.450 19.211 ( 2.133 -0.000 1.011) 2.360 19.435 ( -3.960 0.000 -1.141) 4.121 19.658 ( -0.261 0.000 0.771) 0.814 20.074 ( 2.390 -0.000 1.279) 2.711 20.390 ( 6.622 -0.000 -1.434) 6.776 ======================= Grid point 188 (92/93) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -10.285 -5.468 6.362) 13.273 0.646 ( -12.247 -4.673 6.565) 14.660 1.019 ( -11.623 -2.473 9.121) 14.980 1.156 ( -8.012 -1.365 1.186) 8.213 1.271 ( -0.555 -0.366 -11.001) 11.021 1.313 ( 2.555 1.633 0.822) 3.142 1.559 ( 5.861 -0.352 -3.554) 6.863 1.605 ( 1.949 -3.087 -1.177) 3.835 1.726 ( -0.686 6.147 -0.334) 6.195 1.889 ( 5.008 4.239 0.665) 6.595 1.918 ( -1.082 1.857 1.347) 2.537 2.025 ( -2.143 -3.128 -0.870) 3.891 2.084 ( 1.169 -1.386 0.221) 1.827 2.200 ( -1.768 -1.729 0.704) 2.571 2.356 ( -1.167 -1.560 -2.514) 3.181 2.511 ( -2.506 -1.518 5.677) 6.389 2.555 ( 5.104 -4.162 -2.104) 6.914 2.657 ( -2.042 -3.406 -3.108) 5.043 2.722 ( 1.432 2.208 -0.028) 2.632 2.856 ( -0.866 0.235 2.256) 2.428 2.905 ( -3.664 3.747 4.044) 6.620 3.041 ( -0.889 0.611 -0.894) 1.401 3.128 ( 3.803 2.325 2.212) 4.976 3.222 ( -4.041 1.709 -2.183) 4.901 3.267 ( -5.373 1.438 -10.360) 11.759 3.345 ( -3.360 -4.103 -3.541) 6.377 3.378 ( 2.034 2.899 2.140) 4.138 3.509 ( -4.015 -0.636 -1.144) 4.223 3.641 ( -6.769 -0.700 -0.179) 6.808 3.649 ( -1.628 1.096 3.902) 4.368 3.811 ( 3.018 3.506 5.174) 6.940 3.847 ( 1.271 0.287 0.948) 1.611 4.164 ( 5.646 -1.060 3.053) 6.506 4.220 ( 6.538 4.095 1.974) 7.964 4.378 ( 1.360 -2.034 -1.103) 2.684 4.468 ( 6.067 -3.427 -2.038) 7.260 4.506 ( -2.223 0.122 2.203) 3.132 4.667 ( -2.648 -6.078 -0.420) 6.643 4.756 ( 1.621 0.654 -0.782) 1.915 5.032 ( 1.372 -1.930 -0.369) 2.397 5.179 ( 2.555 -0.919 -0.813) 2.835 5.451 ( 0.085 0.021 -0.406) 0.415 5.789 ( 0.499 0.964 0.763) 1.326 6.017 ( 0.423 -0.050 -0.566) 0.708 6.624 ( 0.241 -0.825 1.030) 1.342 6.679 ( 1.764 0.329 0.537) 1.873 6.805 ( -1.185 -0.158 -1.182) 1.681 7.003 ( -0.987 0.582 -0.442) 1.228 7.247 ( -0.194 0.244 1.344) 1.380 7.308 ( 0.810 0.378 0.712) 1.143 7.456 ( 0.293 0.343 0.604) 0.754 7.541 ( 0.212 0.180 -0.447) 0.526 8.060 ( -0.372 0.274 -0.051) 0.465 8.068 ( -0.496 0.355 0.044) 0.612 16.406 ( 0.922 -0.794 0.812) 1.463 16.417 ( 0.304 -0.900 1.067) 1.429 17.226 ( -1.929 1.767 1.460) 2.996 17.264 ( -0.262 1.728 -1.263) 2.156 18.043 ( -0.668 -0.684 -1.129) 1.480 18.059 ( -2.555 -0.914 0.530) 2.765 18.985 ( -0.314 -0.067 1.125) 1.170 19.217 ( 0.783 0.823 -1.049) 1.546 19.410 ( -2.381 -0.593 0.372) 2.482 19.627 ( -2.666 1.480 -1.128) 3.251 20.113 ( 3.333 -0.202 3.089) 4.549 20.427 ( 4.682 0.312 -3.059) 5.602 ======================= Grid point 196 (93/93) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -7.790 0.000 11.640) 14.006 0.556 ( -8.678 0.000 13.213) 15.808 0.918 ( -12.929 0.000 18.388) 22.478 1.087 ( -6.630 0.000 -4.884) 8.235 1.183 ( -4.498 0.000 -14.808) 15.476 1.386 ( 7.132 -0.000 2.561) 7.578 1.608 ( 7.080 -0.000 -3.712) 7.994 1.633 ( 9.850 -0.000 8.947) 13.307 1.827 ( 2.258 -0.000 0.752) 2.380 1.876 ( -7.101 0.000 -4.895) 8.625 1.909 ( -5.408 0.000 -5.037) 7.391 2.045 ( 5.119 -0.000 3.713) 6.324 2.064 ( 0.656 -0.000 -0.666) 0.935 2.190 ( 1.965 -0.000 4.882) 5.262 2.302 ( 0.304 -0.000 -1.484) 1.515 2.506 ( -2.335 0.000 6.718) 7.113 2.543 ( 1.473 -0.000 -2.538) 2.935 2.588 ( 0.546 -0.000 -4.481) 4.514 2.746 ( -0.230 0.000 -1.701) 1.716 2.806 ( -6.761 0.000 -3.176) 7.470 2.952 ( -6.263 0.000 0.897) 6.327 3.021 ( -3.363 0.000 -2.141) 3.986 3.173 ( -3.028 0.000 -10.039) 10.486 3.204 ( -4.035 0.000 0.098) 4.036 3.206 ( -2.276 0.000 -8.007) 8.324 3.225 ( 2.634 -0.000 3.964) 4.759 3.413 ( -4.508 0.000 -0.528) 4.539 3.483 ( 0.232 -0.000 -0.424) 0.484 3.578 ( -4.769 0.000 -1.498) 4.999 3.678 ( -0.217 0.000 4.280) 4.286 3.859 ( 0.559 -0.000 2.053) 2.127 3.899 ( 1.873 -0.000 -0.610) 1.970 4.277 ( 9.954 -0.000 6.695) 11.995 4.313 ( 4.884 -0.000 -0.444) 4.904 4.357 ( 2.999 -0.000 0.996) 3.160 4.443 ( 3.849 -0.000 0.643) 3.903 4.530 ( -3.341 0.000 3.446) 4.800 4.547 ( -2.444 0.000 -0.707) 2.544 4.789 ( 3.974 -0.000 1.909) 4.409 5.018 ( -0.140 0.000 -1.068) 1.077 5.199 ( 3.841 -0.000 0.574) 3.884 5.441 ( -1.296 0.000 -1.769) 2.193 5.811 ( 1.026 -0.000 1.785) 2.059 6.011 ( -0.849 0.000 -2.391) 2.538 6.624 ( 0.287 -0.000 1.264) 1.296 6.693 ( 0.446 -0.000 -0.723) 0.849 6.805 ( 1.788 -0.000 1.331) 2.229 6.992 ( -1.728 0.000 -1.283) 2.152 7.257 ( 0.063 -0.000 1.961) 1.962 7.327 ( 1.715 -0.000 -0.203) 1.727 7.468 ( 0.652 -0.000 1.138) 1.312 7.540 ( -0.103 0.000 -0.880) 0.886 8.060 ( -0.230 0.000 0.010) 0.230 8.068 ( -0.463 0.000 -0.014) 0.463 16.417 ( 0.264 -0.000 1.690) 1.711 16.426 ( 3.629 -0.000 1.182) 3.817 17.234 ( -1.702 0.000 1.484) 2.258 17.273 ( -0.282 0.000 -1.228) 1.260 18.027 ( -0.282 0.000 -1.055) 1.092 18.029 ( -2.592 0.000 0.589) 2.658 18.994 ( 0.760 -0.000 2.370) 2.488 19.213 ( -1.238 0.000 -3.013) 3.257 19.395 ( -0.513 0.000 1.888) 1.957 19.602 ( -4.292 0.000 -4.012) 5.875 20.162 ( 3.597 -0.000 4.977) 6.141 20.443 ( 2.684 -0.000 -4.556) 5.288 =================== 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 3/21120 10.0 33.963 17.766 26.901 -0.000 7.367 -0.000 3/21120 20.0 8.916 4.138 7.005 -0.000 2.743 -0.000 3/21120 30.0 4.438 1.931 3.504 -0.000 1.506 -0.000 3/21120 40.0 2.875 1.215 2.291 -0.000 1.024 -0.000 3/21120 50.0 2.130 0.886 1.710 -0.000 0.779 -0.000 3/21120 60.0 1.702 0.702 1.373 -0.000 0.634 -0.000 3/21120 70.0 1.425 0.584 1.153 -0.000 0.537 -0.000 3/21120 80.0 1.230 0.502 0.998 -0.000 0.468 -0.000 3/21120 90.0 1.084 0.441 0.882 -0.000 0.416 -0.000 3/21120 100.0 0.971 0.393 0.792 -0.000 0.376 -0.000 3/21120 110.0 0.880 0.356 0.719 -0.000 0.343 -0.000 3/21120 120.0 0.806 0.325 0.659 -0.000 0.315 -0.000 3/21120 130.0 0.743 0.299 0.609 -0.000 0.292 -0.000 3/21120 140.0 0.690 0.277 0.566 -0.000 0.272 -0.000 3/21120 150.0 0.644 0.258 0.528 -0.000 0.255 -0.000 3/21120 160.0 0.604 0.242 0.496 -0.000 0.240 -0.000 3/21120 170.0 0.569 0.227 0.467 -0.000 0.227 -0.000 3/21120 180.0 0.538 0.215 0.442 -0.000 0.215 -0.000 3/21120 190.0 0.510 0.203 0.419 -0.000 0.204 -0.000 3/21120 200.0 0.484 0.193 0.399 -0.000 0.194 -0.000 3/21120 210.0 0.462 0.184 0.380 -0.000 0.186 -0.000 3/21120 220.0 0.441 0.175 0.364 -0.000 0.178 -0.000 3/21120 230.0 0.422 0.168 0.348 -0.000 0.170 -0.000 3/21120 240.0 0.405 0.161 0.334 -0.000 0.164 -0.000 3/21120 250.0 0.389 0.154 0.321 -0.000 0.157 -0.000 3/21120 260.0 0.374 0.148 0.309 -0.000 0.152 -0.000 3/21120 270.0 0.361 0.143 0.298 -0.000 0.146 -0.000 3/21120 280.0 0.348 0.138 0.288 -0.000 0.141 -0.000 3/21120 290.0 0.336 0.133 0.278 -0.000 0.137 -0.000 3/21120 300.0 0.325 0.129 0.269 -0.000 0.132 -0.000 3/21120 310.0 0.315 0.125 0.260 -0.000 0.128 -0.000 3/21120 320.0 0.305 0.121 0.253 -0.000 0.124 -0.000 3/21120 330.0 0.296 0.117 0.245 -0.000 0.121 -0.000 3/21120 340.0 0.288 0.114 0.238 -0.000 0.117 -0.000 3/21120 350.0 0.280 0.110 0.232 -0.000 0.114 -0.000 3/21120 360.0 0.272 0.107 0.225 -0.000 0.111 -0.000 3/21120 370.0 0.265 0.104 0.219 -0.000 0.108 -0.000 3/21120 380.0 0.258 0.102 0.214 -0.000 0.106 -0.000 3/21120 390.0 0.251 0.099 0.208 -0.000 0.103 -0.000 3/21120 400.0 0.245 0.097 0.203 -0.000 0.101 -0.000 3/21120 410.0 0.239 0.094 0.198 -0.000 0.098 -0.000 3/21120 420.0 0.234 0.092 0.194 -0.000 0.096 -0.000 3/21120 430.0 0.228 0.090 0.189 -0.000 0.094 -0.000 3/21120 440.0 0.223 0.088 0.185 -0.000 0.092 -0.000 3/21120 450.0 0.218 0.086 0.181 -0.000 0.090 -0.000 3/21120 460.0 0.214 0.084 0.177 -0.000 0.088 -0.000 3/21120 470.0 0.209 0.082 0.174 -0.000 0.086 -0.000 3/21120 480.0 0.205 0.081 0.170 -0.000 0.084 -0.000 3/21120 490.0 0.201 0.079 0.167 -0.000 0.083 -0.000 3/21120 500.0 0.197 0.077 0.164 -0.000 0.081 -0.000 3/21120 510.0 0.193 0.076 0.160 -0.000 0.080 -0.000 3/21120 520.0 0.190 0.075 0.157 -0.000 0.078 -0.000 3/21120 530.0 0.186 0.073 0.155 -0.000 0.077 -0.000 3/21120 540.0 0.183 0.072 0.152 -0.000 0.075 -0.000 3/21120 550.0 0.179 0.071 0.149 -0.000 0.074 -0.000 3/21120 560.0 0.176 0.069 0.146 -0.000 0.073 -0.000 3/21120 570.0 0.173 0.068 0.144 -0.000 0.072 -0.000 3/21120 580.0 0.170 0.067 0.142 -0.000 0.070 -0.000 3/21120 590.0 0.167 0.066 0.139 -0.000 0.069 -0.000 3/21120 600.0 0.165 0.065 0.137 -0.000 0.068 -0.000 3/21120 610.0 0.162 0.064 0.135 -0.000 0.067 -0.000 3/21120 620.0 0.160 0.063 0.133 -0.000 0.066 -0.000 3/21120 630.0 0.157 0.062 0.131 -0.000 0.065 -0.000 3/21120 640.0 0.155 0.061 0.129 -0.000 0.064 -0.000 3/21120 650.0 0.152 0.060 0.127 -0.000 0.063 -0.000 3/21120 660.0 0.150 0.059 0.125 -0.000 0.062 -0.000 3/21120 670.0 0.148 0.058 0.123 -0.000 0.061 -0.000 3/21120 680.0 0.146 0.057 0.121 -0.000 0.060 -0.000 3/21120 690.0 0.144 0.056 0.119 -0.000 0.060 -0.000 3/21120 700.0 0.142 0.056 0.118 -0.000 0.059 -0.000 3/21120 710.0 0.140 0.055 0.116 -0.000 0.058 -0.000 3/21120 720.0 0.138 0.054 0.115 -0.000 0.057 -0.000 3/21120 730.0 0.136 0.053 0.113 -0.000 0.056 -0.000 3/21120 740.0 0.134 0.053 0.112 -0.000 0.056 -0.000 3/21120 750.0 0.132 0.052 0.110 -0.000 0.055 -0.000 3/21120 760.0 0.131 0.051 0.109 -0.000 0.054 -0.000 3/21120 770.0 0.129 0.051 0.107 -0.000 0.054 -0.000 3/21120 780.0 0.127 0.050 0.106 -0.000 0.053 -0.000 3/21120 790.0 0.126 0.049 0.105 -0.000 0.052 -0.000 3/21120 800.0 0.124 0.049 0.103 -0.000 0.052 -0.000 3/21120 810.0 0.123 0.048 0.102 -0.000 0.051 -0.000 3/21120 820.0 0.121 0.047 0.101 -0.000 0.050 -0.000 3/21120 830.0 0.120 0.047 0.100 -0.000 0.050 -0.000 3/21120 840.0 0.118 0.046 0.099 -0.000 0.049 -0.000 3/21120 850.0 0.117 0.046 0.097 -0.000 0.049 -0.000 3/21120 860.0 0.116 0.045 0.096 -0.000 0.048 -0.000 3/21120 870.0 0.114 0.045 0.095 -0.000 0.048 -0.000 3/21120 880.0 0.113 0.044 0.094 -0.000 0.047 -0.000 3/21120 890.0 0.112 0.044 0.093 -0.000 0.047 -0.000 3/21120 900.0 0.111 0.043 0.092 -0.000 0.046 -0.000 3/21120 910.0 0.109 0.043 0.091 -0.000 0.046 -0.000 3/21120 920.0 0.108 0.042 0.090 -0.000 0.045 -0.000 3/21120 930.0 0.107 0.042 0.089 -0.000 0.045 -0.000 3/21120 940.0 0.106 0.041 0.088 -0.000 0.044 -0.000 3/21120 950.0 0.105 0.041 0.087 -0.000 0.044 -0.000 3/21120 960.0 0.104 0.041 0.087 -0.000 0.043 -0.000 3/21120 970.0 0.103 0.040 0.086 -0.000 0.043 -0.000 3/21120 980.0 0.102 0.040 0.085 -0.000 0.042 -0.000 3/21120 990.0 0.101 0.039 0.084 -0.000 0.042 -0.000 3/21120 1000.0 0.100 0.039 0.083 -0.000 0.042 -0.000 3/21120 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:39:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|