----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:28:49]------------------------- 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: Cmcm (63) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.339827340000000 -2.852793440000001 0.000000000000000 b 5.339827340000000 2.852793440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.935210870000001 Atomic positions (fractional): *1 Na 0.67940877955271 0.32059122044729 0.94017602501285 22.990 2 Na 0.67940877955271 0.32059122044729 0.55982397498715 22.990 3 Na 0.32059122044729 0.67940877955271 0.44017602501285 22.990 *4 Na 0.16638653689940 0.42969014930169 0.25000000000000 22.990 *5 Na 0.78088173587005 0.78088173587005 0.00000000000000 22.990 6 Na 0.57030985069831 0.83361346310060 0.25000000000000 22.990 7 Na 0.21911826412995 0.21911826412995 0.50000000000000 22.990 8 Na 0.32059122044729 0.67940877955271 0.05982397498715 22.990 9 Na 0.42969014930169 0.16638653689941 0.75000000000000 22.990 10 Na 0.21911826412995 0.21911826412995 0.00000000000000 22.990 11 Na 0.78088173587005 0.78088173587005 0.50000000000000 22.990 12 Na 0.83361346310059 0.57030985069831 0.75000000000000 22.990 *13 Pb 0.79275426807528 0.20724573192472 0.25000000000000 207.200 14 Pb 0.20724573192472 0.79275426807528 0.75000000000000 207.200 *15 O 0.83413612258208 0.16586387741792 0.75000000000000 15.999 *16 O 0.83431388108270 0.44441975910590 0.11388945271604 15.999 17 O 0.55558024089410 0.16568611891730 0.38611054728396 15.999 18 O 0.83431388108270 0.44441975910590 0.38611054728396 15.999 19 O 0.16568611891730 0.55558024089410 0.61388945271604 15.999 20 O 0.16568611891730 0.55558024089410 0.88611054728396 15.999 21 O 0.55558024089410 0.16568611891730 0.11388945271604 15.999 22 O 0.44441975910590 0.83431388108270 0.88611054728396 15.999 23 O 0.16586387741792 0.83413612258208 0.25000000000000 15.999 24 O 0.44441975910590 0.83431388108270 0.61388945271604 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.679654680000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.705586880000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.935210870000001 Atomic positions (fractional): *1 Na 0.00000000000000 0.32059122044729 0.94017602501285 22.990 > 1 2 Na 0.00000000000000 0.32059122044729 0.55982397498715 22.990 > 2 3 Na 0.00000000000000 0.67940877955271 0.44017602501285 22.990 > 3 *4 Na 0.29803834310055 0.13165180620114 0.25000000000000 22.990 > 4 *5 Na 0.28088173587005 0.50000000000000 0.00000000000000 22.990 > 5 6 Na 0.20196165689945 0.63165180620114 0.25000000000000 22.990 > 6 7 Na 0.21911826412995 0.00000000000000 0.50000000000000 22.990 > 7 8 Na 0.00000000000000 0.67940877955271 0.05982397498715 22.990 > 8 9 Na 0.29803834310055 0.86834819379886 0.75000000000000 22.990 > 9 10 Na 0.21911826412995 0.00000000000000 0.00000000000000 22.990 > 10 11 Na 0.28088173587005 0.50000000000000 0.50000000000000 22.990 > 11 12 Na 0.20196165689945 0.36834819379886 0.75000000000000 22.990 > 12 13 Na 0.50000000000000 0.82059122044729 0.94017602501285 22.990 > 1 14 Na 0.50000000000000 0.82059122044729 0.55982397498715 22.990 > 2 15 Na 0.50000000000000 0.17940877955271 0.44017602501285 22.990 > 3 16 Na 0.79803834310055 0.63165180620114 0.25000000000000 22.990 > 4 17 Na 0.78088173587005 0.00000000000000 0.00000000000000 22.990 > 5 18 Na 0.70196165689945 0.13165180620114 0.25000000000000 22.990 > 6 19 Na 0.71911826412995 0.50000000000000 0.50000000000000 22.990 > 7 20 Na 0.50000000000000 0.17940877955271 0.05982397498715 22.990 > 8 21 Na 0.79803834310055 0.36834819379886 0.75000000000000 22.990 > 9 22 Na 0.71911826412995 0.50000000000000 0.00000000000000 22.990 > 10 23 Na 0.78088173587005 0.00000000000000 0.50000000000000 22.990 > 11 24 Na 0.70196165689945 0.86834819379886 0.75000000000000 22.990 > 12 *25 Pb 0.00000000000000 0.20724573192472 0.25000000000000 207.200 > 13 26 Pb 0.00000000000000 0.79275426807528 0.75000000000000 207.200 > 14 27 Pb 0.50000000000000 0.70724573192472 0.25000000000000 207.200 > 13 28 Pb 0.50000000000000 0.29275426807528 0.75000000000000 207.200 > 14 *29 O 0.00000000000000 0.16586387741792 0.75000000000000 15.999 > 15 *30 O 0.13936682009430 0.30505293901160 0.11388945271604 15.999 > 16 31 O 0.36063317990570 0.80505293901160 0.38611054728396 15.999 > 17 32 O 0.13936682009430 0.30505293901160 0.38611054728396 15.999 > 18 33 O 0.36063317990570 0.19494706098840 0.61388945271604 15.999 > 19 34 O 0.36063317990570 0.19494706098840 0.88611054728396 15.999 > 20 35 O 0.36063317990570 0.80505293901160 0.11388945271604 15.999 > 21 36 O 0.13936682009430 0.69494706098840 0.88611054728396 15.999 > 22 37 O 0.00000000000000 0.83413612258208 0.25000000000000 15.999 > 23 38 O 0.13936682009430 0.69494706098840 0.61388945271604 15.999 > 24 39 O 0.50000000000000 0.66586387741792 0.75000000000000 15.999 > 15 40 O 0.63936682009430 0.80505293901160 0.11388945271604 15.999 > 16 41 O 0.86063317990570 0.30505293901160 0.38611054728396 15.999 > 17 42 O 0.63936682009430 0.80505293901160 0.38611054728396 15.999 > 18 43 O 0.86063317990570 0.69494706098840 0.61388945271604 15.999 > 19 44 O 0.86063317990570 0.69494706098840 0.88611054728396 15.999 > 20 45 O 0.86063317990570 0.30505293901160 0.11388945271604 15.999 > 21 46 O 0.63936682009430 0.19494706098840 0.88611054728396 15.999 > 22 47 O 0.50000000000000 0.33413612258208 0.25000000000000 15.999 > 23 48 O 0.63936682009430 0.19494706098840 0.61388945271604 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.679654680000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.411173760000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.935210870000001 Atomic positions (fractional): *1 Na 0.00000000000000 0.16029561022364 0.94017602501285 22.990 > 1 2 Na 0.00000000000000 0.66029561022364 0.94017602501285 22.990 > 1 3 Na 0.00000000000000 0.16029561022364 0.55982397498715 22.990 > 2 4 Na 0.00000000000000 0.66029561022364 0.55982397498715 22.990 > 2 5 Na 0.00000000000000 0.33970438977636 0.44017602501285 22.990 > 3 6 Na 0.00000000000000 0.83970438977636 0.44017602501285 22.990 > 3 *7 Na 0.29803834310055 0.06582590310057 0.25000000000000 22.990 > 4 8 Na 0.29803834310055 0.56582590310057 0.25000000000000 22.990 > 4 *9 Na 0.28088173587005 0.25000000000000 0.00000000000000 22.990 > 5 10 Na 0.28088173587005 0.75000000000000 0.00000000000000 22.990 > 5 11 Na 0.20196165689945 0.31582590310057 0.25000000000000 22.990 > 6 12 Na 0.20196165689945 0.81582590310057 0.25000000000000 22.990 > 6 13 Na 0.21911826412995 0.00000000000000 0.50000000000000 22.990 > 7 14 Na 0.21911826412995 0.50000000000000 0.50000000000000 22.990 > 7 15 Na 0.00000000000000 0.33970438977636 0.05982397498715 22.990 > 8 16 Na 0.00000000000000 0.83970438977636 0.05982397498715 22.990 > 8 17 Na 0.29803834310055 0.43417409689943 0.75000000000000 22.990 > 9 18 Na 0.29803834310055 0.93417409689943 0.75000000000000 22.990 > 9 19 Na 0.21911826412995 0.00000000000000 0.00000000000000 22.990 > 10 20 Na 0.21911826412995 0.50000000000000 0.00000000000000 22.990 > 10 21 Na 0.28088173587005 0.25000000000000 0.50000000000000 22.990 > 11 22 Na 0.28088173587005 0.75000000000000 0.50000000000000 22.990 > 11 23 Na 0.20196165689945 0.18417409689943 0.75000000000000 22.990 > 12 24 Na 0.20196165689945 0.68417409689943 0.75000000000000 22.990 > 12 25 Na 0.50000000000000 0.41029561022364 0.94017602501285 22.990 > 1 26 Na 0.50000000000000 0.91029561022364 0.94017602501285 22.990 > 1 27 Na 0.50000000000000 0.41029561022364 0.55982397498715 22.990 > 2 28 Na 0.50000000000000 0.91029561022364 0.55982397498715 22.990 > 2 29 Na 0.50000000000000 0.08970438977636 0.44017602501285 22.990 > 3 30 Na 0.50000000000000 0.58970438977636 0.44017602501285 22.990 > 3 31 Na 0.79803834310055 0.31582590310057 0.25000000000000 22.990 > 4 32 Na 0.79803834310055 0.81582590310057 0.25000000000000 22.990 > 4 33 Na 0.78088173587005 0.00000000000000 0.00000000000000 22.990 > 5 34 Na 0.78088173587005 0.50000000000000 0.00000000000000 22.990 > 5 35 Na 0.70196165689945 0.06582590310057 0.25000000000000 22.990 > 6 36 Na 0.70196165689945 0.56582590310057 0.25000000000000 22.990 > 6 37 Na 0.71911826412995 0.25000000000000 0.50000000000000 22.990 > 7 38 Na 0.71911826412995 0.75000000000000 0.50000000000000 22.990 > 7 39 Na 0.50000000000000 0.08970438977636 0.05982397498715 22.990 > 8 40 Na 0.50000000000000 0.58970438977636 0.05982397498715 22.990 > 8 41 Na 0.79803834310055 0.18417409689943 0.75000000000000 22.990 > 9 42 Na 0.79803834310055 0.68417409689943 0.75000000000000 22.990 > 9 43 Na 0.71911826412995 0.25000000000000 0.00000000000000 22.990 > 10 44 Na 0.71911826412995 0.75000000000000 0.00000000000000 22.990 > 10 45 Na 0.78088173587005 0.00000000000000 0.50000000000000 22.990 > 11 46 Na 0.78088173587005 0.50000000000000 0.50000000000000 22.990 > 11 47 Na 0.70196165689945 0.43417409689943 0.75000000000000 22.990 > 12 48 Na 0.70196165689945 0.93417409689943 0.75000000000000 22.990 > 12 *49 Pb 0.00000000000000 0.10362286596236 0.25000000000000 207.200 > 13 50 Pb 0.00000000000000 0.60362286596236 0.25000000000000 207.200 > 13 51 Pb 0.00000000000000 0.39637713403764 0.75000000000000 207.200 > 14 52 Pb 0.00000000000000 0.89637713403764 0.75000000000000 207.200 > 14 53 Pb 0.50000000000000 0.35362286596236 0.25000000000000 207.200 > 13 54 Pb 0.50000000000000 0.85362286596236 0.25000000000000 207.200 > 13 55 Pb 0.50000000000000 0.14637713403764 0.75000000000000 207.200 > 14 56 Pb 0.50000000000000 0.64637713403764 0.75000000000000 207.200 > 14 *57 O 0.00000000000000 0.08293193870896 0.75000000000000 15.999 > 15 58 O 0.00000000000000 0.58293193870896 0.75000000000000 15.999 > 15 *59 O 0.13936682009430 0.15252646950580 0.11388945271604 15.999 > 16 60 O 0.13936682009430 0.65252646950580 0.11388945271604 15.999 > 16 61 O 0.36063317990570 0.40252646950580 0.38611054728396 15.999 > 17 62 O 0.36063317990570 0.90252646950580 0.38611054728396 15.999 > 17 63 O 0.13936682009430 0.15252646950580 0.38611054728396 15.999 > 18 64 O 0.13936682009430 0.65252646950580 0.38611054728396 15.999 > 18 65 O 0.36063317990570 0.09747353049420 0.61388945271604 15.999 > 19 66 O 0.36063317990570 0.59747353049420 0.61388945271604 15.999 > 19 67 O 0.36063317990570 0.09747353049420 0.88611054728396 15.999 > 20 68 O 0.36063317990570 0.59747353049420 0.88611054728396 15.999 > 20 69 O 0.36063317990570 0.40252646950580 0.11388945271604 15.999 > 21 70 O 0.36063317990570 0.90252646950580 0.11388945271604 15.999 > 21 71 O 0.13936682009430 0.34747353049420 0.88611054728396 15.999 > 22 72 O 0.13936682009430 0.84747353049420 0.88611054728396 15.999 > 22 73 O 0.00000000000000 0.41706806129104 0.25000000000000 15.999 > 23 74 O 0.00000000000000 0.91706806129104 0.25000000000000 15.999 > 23 75 O 0.13936682009430 0.34747353049420 0.61388945271604 15.999 > 24 76 O 0.13936682009430 0.84747353049420 0.61388945271604 15.999 > 24 77 O 0.50000000000000 0.33293193870896 0.75000000000000 15.999 > 15 78 O 0.50000000000000 0.83293193870896 0.75000000000000 15.999 > 15 79 O 0.63936682009430 0.40252646950580 0.11388945271604 15.999 > 16 80 O 0.63936682009430 0.90252646950580 0.11388945271604 15.999 > 16 81 O 0.86063317990570 0.15252646950580 0.38611054728396 15.999 > 17 82 O 0.86063317990570 0.65252646950580 0.38611054728396 15.999 > 17 83 O 0.63936682009430 0.40252646950580 0.38611054728396 15.999 > 18 84 O 0.63936682009430 0.90252646950580 0.38611054728396 15.999 > 18 85 O 0.86063317990570 0.34747353049420 0.61388945271604 15.999 > 19 86 O 0.86063317990570 0.84747353049420 0.61388945271604 15.999 > 19 87 O 0.86063317990570 0.34747353049420 0.88611054728396 15.999 > 20 88 O 0.86063317990570 0.84747353049420 0.88611054728396 15.999 > 20 89 O 0.86063317990570 0.15252646950580 0.11388945271604 15.999 > 21 90 O 0.86063317990570 0.65252646950580 0.11388945271604 15.999 > 21 91 O 0.63936682009430 0.09747353049420 0.88611054728396 15.999 > 22 92 O 0.63936682009430 0.59747353049420 0.88611054728396 15.999 > 22 93 O 0.50000000000000 0.16706806129104 0.25000000000000 15.999 > 23 94 O 0.50000000000000 0.66706806129104 0.25000000000000 15.999 > 23 95 O 0.63936682009430 0.09747353049420 0.61388945271604 15.999 > 24 96 O 0.63936682009430 0.59747353049420 0.61388945271604 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8022838 0.0000000 0.0000000 0.0000000 3.6696036 0.0000000 0.0000000 0.0000000 3.8689298 -------------------------- Born effective charges -------------------------- 1 Na 0.8456799 -0.0000000 0.0000000 0.0000000 1.0728007 0.0732814 0.0000000 -0.0827342 1.1301234 2 Na 0.8456799 -0.0000000 0.0000000 0.0000000 1.0728007 -0.0732814 0.0000000 0.0827342 1.1301234 3 Na 0.8456799 -0.0000000 0.0000000 0.0000000 1.0728007 -0.0732814 0.0000000 0.0827342 1.1301234 4 Na 1.1457084 -0.1892143 0.0000000 0.0238839 1.0500450 0.0000000 0.0000000 0.0000000 0.7995696 5 Na 1.0711851 -0.0000000 0.0000000 0.0000000 0.9066410 0.0061765 0.0000000 0.0125836 1.1063129 6 Na 1.1457084 0.1892143 0.0000000 -0.0238839 1.0500450 0.0000000 0.0000000 0.0000000 0.7995696 7 Na 1.0711851 -0.0000000 0.0000000 0.0000000 0.9066410 -0.0061765 0.0000000 -0.0125836 1.1063129 8 Na 0.8456799 -0.0000000 0.0000000 0.0000000 1.0728007 0.0732814 0.0000000 -0.0827342 1.1301234 9 Na 1.1457084 0.1892143 0.0000000 -0.0238839 1.0500450 0.0000000 0.0000000 0.0000000 0.7995696 10 Na 1.0711851 -0.0000000 0.0000000 0.0000000 0.9066410 0.0061765 0.0000000 0.0125836 1.1063129 11 Na 1.0711851 -0.0000000 0.0000000 0.0000000 0.9066410 -0.0061765 0.0000000 -0.0125836 1.1063129 12 Na 1.1457084 -0.1892143 0.0000000 0.0238839 1.0500450 0.0000000 0.0000000 0.0000000 0.7995696 13 Pb 3.2160870 -0.0000000 0.0000000 0.0000000 2.8946822 0.0000000 0.0000000 0.0000000 3.1686224 14 Pb 3.2160870 -0.0000000 0.0000000 0.0000000 2.8946822 0.0000000 0.0000000 0.0000000 3.1686224 15 O -1.5643053 -0.0000000 0.0000000 0.0000000 -2.6502481 0.0000000 0.0000000 0.0000000 -1.4256971 16 O -1.9442321 -0.0922262 0.4148824 -0.1587514 -1.5758519 0.1320657 0.4323696 0.1821393 -1.9537343 17 O -1.9442321 0.0922262 0.4148824 0.1587514 -1.5758519 -0.1320657 0.4323696 -0.1821393 -1.9537343 18 O -1.9442321 -0.0922262 -0.4148824 -0.1587514 -1.5758519 -0.1320657 -0.4323696 -0.1821393 -1.9537343 19 O -1.9442321 -0.0922262 -0.4148824 -0.1587514 -1.5758519 -0.1320657 -0.4323696 -0.1821393 -1.9537343 20 O -1.9442321 -0.0922262 0.4148824 -0.1587514 -1.5758519 0.1320657 0.4323696 0.1821393 -1.9537343 21 O -1.9442321 0.0922262 -0.4148824 0.1587514 -1.5758519 0.1320657 -0.4323696 0.1821393 -1.9537343 22 O -1.9442321 0.0922262 -0.4148824 0.1587514 -1.5758519 0.1320657 -0.4323696 0.1821393 -1.9537343 23 O -1.5643053 -0.0000000 0.0000000 0.0000000 -2.6502481 0.0000000 0.0000000 0.0000000 -1.4256971 24 O -1.9442321 0.0922262 0.4148824 0.1587514 -1.5758519 -0.1320657 0.4323696 -0.1821393 -1.9537343 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 12672/12672 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1442 Number of blocks in projector: 1442 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: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 228 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 218 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 218 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 218 Use standard eigh solver. Tree of FC basis block matrices: - (1442, 1412), data: False |-- (218, 212), data: True |-- (218, 212), data: True |-- (218, 212), data: True |-- (228, 226), data: True |-- (276, 272), data: True |-- (284, 278), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.639 Solver_block: 200 / 400 - Time: 1.612 Solver_block: 300 / 400 - Time: 1.608 Solver_block: 400 / 400 - Time: 1.611 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.503 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 12672/12672 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1442 Number of blocks in projector: 1442 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: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 228 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 218 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 218 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 218 Use standard eigh solver. Tree of FC basis block matrices: - (1442, 1412), data: False |-- (218, 212), data: True |-- (218, 212), data: True |-- (218, 212), data: True |-- (228, 226), data: True |-- (276, 272), data: True |-- (284, 278), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:29:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:29:10]------------------------- 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: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.339827340000000 -2.852793440000001 0.000000000000000 b 5.339827340000000 2.852793440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.935210870000001 Atomic positions (fractional): 1 Na 0.67940877955271 0.32059122044729 0.94017602501285 22.990 2 Na 0.67940877955271 0.32059122044729 0.55982397498715 22.990 3 Na 0.32059122044729 0.67940877955271 0.44017602501285 22.990 4 Na 0.16638653689940 0.42969014930169 0.25000000000000 22.990 5 Na 0.78088173587005 0.78088173587005 0.00000000000000 22.990 6 Na 0.57030985069831 0.83361346310060 0.25000000000000 22.990 7 Na 0.21911826412995 0.21911826412995 0.50000000000000 22.990 8 Na 0.32059122044729 0.67940877955271 0.05982397498715 22.990 9 Na 0.42969014930169 0.16638653689941 0.75000000000000 22.990 10 Na 0.21911826412995 0.21911826412995 0.00000000000000 22.990 11 Na 0.78088173587005 0.78088173587005 0.50000000000000 22.990 12 Na 0.83361346310059 0.57030985069831 0.75000000000000 22.990 13 Pb 0.79275426807528 0.20724573192472 0.25000000000000 207.200 14 Pb 0.20724573192472 0.79275426807528 0.75000000000000 207.200 15 O 0.83413612258208 0.16586387741792 0.75000000000000 15.999 16 O 0.83431388108270 0.44441975910590 0.11388945271604 15.999 17 O 0.55558024089410 0.16568611891730 0.38611054728396 15.999 18 O 0.83431388108270 0.44441975910590 0.38611054728396 15.999 19 O 0.16568611891730 0.55558024089410 0.61388945271604 15.999 20 O 0.16568611891730 0.55558024089410 0.88611054728396 15.999 21 O 0.55558024089410 0.16568611891730 0.11388945271604 15.999 22 O 0.44441975910590 0.83431388108270 0.88611054728396 15.999 23 O 0.16586387741792 0.83413612258208 0.25000000000000 15.999 24 O 0.44441975910590 0.83431388108270 0.61388945271604 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.679654680000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.411173760000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.935210870000001 Atomic positions (fractional): 1 Na 0.00000000000000 0.16029561022364 0.94017602501285 22.990 > 1 2 Na 0.00000000000000 0.66029561022364 0.94017602501285 22.990 > 1 3 Na 0.00000000000000 0.16029561022364 0.55982397498715 22.990 > 3 4 Na 0.00000000000000 0.66029561022364 0.55982397498715 22.990 > 3 5 Na 0.00000000000000 0.33970438977636 0.44017602501285 22.990 > 5 6 Na 0.00000000000000 0.83970438977636 0.44017602501285 22.990 > 5 7 Na 0.29803834310055 0.06582590310057 0.25000000000000 22.990 > 7 8 Na 0.29803834310055 0.56582590310057 0.25000000000000 22.990 > 7 9 Na 0.28088173587005 0.25000000000000 0.00000000000000 22.990 > 9 10 Na 0.28088173587005 0.75000000000000 0.00000000000000 22.990 > 9 11 Na 0.20196165689945 0.31582590310057 0.25000000000000 22.990 > 11 12 Na 0.20196165689945 0.81582590310057 0.25000000000000 22.990 > 11 13 Na 0.21911826412995 0.00000000000000 0.50000000000000 22.990 > 13 14 Na 0.21911826412995 0.50000000000000 0.50000000000000 22.990 > 13 15 Na 0.00000000000000 0.33970438977636 0.05982397498715 22.990 > 15 16 Na 0.00000000000000 0.83970438977636 0.05982397498715 22.990 > 15 17 Na 0.29803834310055 0.43417409689943 0.75000000000000 22.990 > 17 18 Na 0.29803834310055 0.93417409689943 0.75000000000000 22.990 > 17 19 Na 0.21911826412995 0.00000000000000 0.00000000000000 22.990 > 19 20 Na 0.21911826412995 0.50000000000000 0.00000000000000 22.990 > 19 21 Na 0.28088173587005 0.25000000000000 0.50000000000000 22.990 > 21 22 Na 0.28088173587005 0.75000000000000 0.50000000000000 22.990 > 21 23 Na 0.20196165689945 0.18417409689943 0.75000000000000 22.990 > 23 24 Na 0.20196165689945 0.68417409689943 0.75000000000000 22.990 > 23 25 Na 0.50000000000000 0.41029561022364 0.94017602501285 22.990 > 1 26 Na 0.50000000000000 0.91029561022364 0.94017602501285 22.990 > 1 27 Na 0.50000000000000 0.41029561022364 0.55982397498715 22.990 > 3 28 Na 0.50000000000000 0.91029561022364 0.55982397498715 22.990 > 3 29 Na 0.50000000000000 0.08970438977636 0.44017602501285 22.990 > 5 30 Na 0.50000000000000 0.58970438977636 0.44017602501285 22.990 > 5 31 Na 0.79803834310055 0.31582590310057 0.25000000000000 22.990 > 7 32 Na 0.79803834310055 0.81582590310057 0.25000000000000 22.990 > 7 33 Na 0.78088173587005 0.00000000000000 0.00000000000000 22.990 > 9 34 Na 0.78088173587005 0.50000000000000 0.00000000000000 22.990 > 9 35 Na 0.70196165689945 0.06582590310057 0.25000000000000 22.990 > 11 36 Na 0.70196165689945 0.56582590310057 0.25000000000000 22.990 > 11 37 Na 0.71911826412995 0.25000000000000 0.50000000000000 22.990 > 13 38 Na 0.71911826412995 0.75000000000000 0.50000000000000 22.990 > 13 39 Na 0.50000000000000 0.08970438977636 0.05982397498715 22.990 > 15 40 Na 0.50000000000000 0.58970438977636 0.05982397498715 22.990 > 15 41 Na 0.79803834310055 0.18417409689943 0.75000000000000 22.990 > 17 42 Na 0.79803834310055 0.68417409689943 0.75000000000000 22.990 > 17 43 Na 0.71911826412995 0.25000000000000 0.00000000000000 22.990 > 19 44 Na 0.71911826412995 0.75000000000000 0.00000000000000 22.990 > 19 45 Na 0.78088173587005 0.00000000000000 0.50000000000000 22.990 > 21 46 Na 0.78088173587005 0.50000000000000 0.50000000000000 22.990 > 21 47 Na 0.70196165689945 0.43417409689943 0.75000000000000 22.990 > 23 48 Na 0.70196165689945 0.93417409689943 0.75000000000000 22.990 > 23 49 Pb 0.00000000000000 0.10362286596236 0.25000000000000 207.200 > 49 50 Pb 0.00000000000000 0.60362286596236 0.25000000000000 207.200 > 49 51 Pb 0.00000000000000 0.39637713403764 0.75000000000000 207.200 > 51 52 Pb 0.00000000000000 0.89637713403764 0.75000000000000 207.200 > 51 53 Pb 0.50000000000000 0.35362286596236 0.25000000000000 207.200 > 49 54 Pb 0.50000000000000 0.85362286596236 0.25000000000000 207.200 > 49 55 Pb 0.50000000000000 0.14637713403764 0.75000000000000 207.200 > 51 56 Pb 0.50000000000000 0.64637713403764 0.75000000000000 207.200 > 51 57 O 0.00000000000000 0.08293193870896 0.75000000000000 15.999 > 57 58 O 0.00000000000000 0.58293193870896 0.75000000000000 15.999 > 57 59 O 0.13936682009430 0.15252646950580 0.11388945271604 15.999 > 59 60 O 0.13936682009430 0.65252646950580 0.11388945271604 15.999 > 59 61 O 0.36063317990570 0.40252646950580 0.38611054728396 15.999 > 61 62 O 0.36063317990570 0.90252646950580 0.38611054728396 15.999 > 61 63 O 0.13936682009430 0.15252646950580 0.38611054728396 15.999 > 63 64 O 0.13936682009430 0.65252646950580 0.38611054728396 15.999 > 63 65 O 0.36063317990570 0.09747353049420 0.61388945271604 15.999 > 65 66 O 0.36063317990570 0.59747353049420 0.61388945271604 15.999 > 65 67 O 0.36063317990570 0.09747353049420 0.88611054728396 15.999 > 67 68 O 0.36063317990570 0.59747353049420 0.88611054728396 15.999 > 67 69 O 0.36063317990570 0.40252646950580 0.11388945271604 15.999 > 69 70 O 0.36063317990570 0.90252646950580 0.11388945271604 15.999 > 69 71 O 0.13936682009430 0.34747353049420 0.88611054728396 15.999 > 71 72 O 0.13936682009430 0.84747353049420 0.88611054728396 15.999 > 71 73 O 0.00000000000000 0.41706806129104 0.25000000000000 15.999 > 73 74 O 0.00000000000000 0.91706806129104 0.25000000000000 15.999 > 73 75 O 0.13936682009430 0.34747353049420 0.61388945271604 15.999 > 75 76 O 0.13936682009430 0.84747353049420 0.61388945271604 15.999 > 75 77 O 0.50000000000000 0.33293193870896 0.75000000000000 15.999 > 57 78 O 0.50000000000000 0.83293193870896 0.75000000000000 15.999 > 57 79 O 0.63936682009430 0.40252646950580 0.11388945271604 15.999 > 59 80 O 0.63936682009430 0.90252646950580 0.11388945271604 15.999 > 59 81 O 0.86063317990570 0.15252646950580 0.38611054728396 15.999 > 61 82 O 0.86063317990570 0.65252646950580 0.38611054728396 15.999 > 61 83 O 0.63936682009430 0.40252646950580 0.38611054728396 15.999 > 63 84 O 0.63936682009430 0.90252646950580 0.38611054728396 15.999 > 63 85 O 0.86063317990570 0.34747353049420 0.61388945271604 15.999 > 65 86 O 0.86063317990570 0.84747353049420 0.61388945271604 15.999 > 65 87 O 0.86063317990570 0.34747353049420 0.88611054728396 15.999 > 67 88 O 0.86063317990570 0.84747353049420 0.88611054728396 15.999 > 67 89 O 0.86063317990570 0.15252646950580 0.11388945271604 15.999 > 69 90 O 0.86063317990570 0.65252646950580 0.11388945271604 15.999 > 69 91 O 0.63936682009430 0.09747353049420 0.88611054728396 15.999 > 71 92 O 0.63936682009430 0.59747353049420 0.88611054728396 15.999 > 71 93 O 0.50000000000000 0.16706806129104 0.25000000000000 15.999 > 73 94 O 0.50000000000000 0.66706806129104 0.25000000000000 15.999 > 73 95 O 0.63936682009430 0.09747353049420 0.61388945271604 15.999 > 75 96 O 0.63936682009430 0.59747353049420 0.61388945271604 15.999 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8022838 0.0000000 0.0000000 0.0000000 3.6696036 0.0000000 0.0000000 0.0000000 3.8689298 -------------------------- Born effective charges -------------------------- 1 Na 0.8456799 -0.0000000 0.0000000 0.0000000 1.0728007 0.0732814 0.0000000 -0.0827342 1.1301234 2 Na 0.8456799 -0.0000000 0.0000000 0.0000000 1.0728007 -0.0732814 0.0000000 0.0827342 1.1301234 3 Na 0.8456799 -0.0000000 0.0000000 0.0000000 1.0728007 -0.0732814 0.0000000 0.0827342 1.1301234 4 Na 1.1457084 -0.1892143 0.0000000 0.0238839 1.0500450 0.0000000 0.0000000 0.0000000 0.7995696 5 Na 1.0711851 -0.0000000 0.0000000 0.0000000 0.9066410 0.0061765 0.0000000 0.0125836 1.1063129 6 Na 1.1457084 0.1892143 0.0000000 -0.0238839 1.0500450 0.0000000 0.0000000 0.0000000 0.7995696 7 Na 1.0711851 -0.0000000 0.0000000 0.0000000 0.9066410 -0.0061765 0.0000000 -0.0125836 1.1063129 8 Na 0.8456799 -0.0000000 0.0000000 0.0000000 1.0728007 0.0732814 0.0000000 -0.0827342 1.1301234 9 Na 1.1457084 0.1892143 0.0000000 -0.0238839 1.0500450 0.0000000 0.0000000 0.0000000 0.7995696 10 Na 1.0711851 -0.0000000 0.0000000 0.0000000 0.9066410 0.0061765 0.0000000 0.0125836 1.1063129 11 Na 1.0711851 -0.0000000 0.0000000 0.0000000 0.9066410 -0.0061765 0.0000000 -0.0125836 1.1063129 12 Na 1.1457084 -0.1892143 0.0000000 0.0238839 1.0500450 0.0000000 0.0000000 0.0000000 0.7995696 13 Pb 3.2160870 -0.0000000 0.0000000 0.0000000 2.8946822 0.0000000 0.0000000 0.0000000 3.1686224 14 Pb 3.2160870 -0.0000000 0.0000000 0.0000000 2.8946822 0.0000000 0.0000000 0.0000000 3.1686224 15 O -1.5643053 -0.0000000 0.0000000 0.0000000 -2.6502481 0.0000000 0.0000000 0.0000000 -1.4256971 16 O -1.9442321 -0.0922262 0.4148824 -0.1587514 -1.5758519 0.1320657 0.4323696 0.1821393 -1.9537343 17 O -1.9442321 0.0922262 0.4148824 0.1587514 -1.5758519 -0.1320657 0.4323696 -0.1821393 -1.9537343 18 O -1.9442321 -0.0922262 -0.4148824 -0.1587514 -1.5758519 -0.1320657 -0.4323696 -0.1821393 -1.9537343 19 O -1.9442321 -0.0922262 -0.4148824 -0.1587514 -1.5758519 -0.1320657 -0.4323696 -0.1821393 -1.9537343 20 O -1.9442321 -0.0922262 0.4148824 -0.1587514 -1.5758519 0.1320657 0.4323696 0.1821393 -1.9537343 21 O -1.9442321 0.0922262 -0.4148824 0.1587514 -1.5758519 0.1320657 -0.4323696 0.1821393 -1.9537343 22 O -1.9442321 0.0922262 -0.4148824 0.1587514 -1.5758519 0.1320657 -0.4323696 0.1821393 -1.9537343 23 O -1.5643053 -0.0000000 0.0000000 0.0000000 -2.6502481 0.0000000 0.0000000 0.0000000 -1.4256971 24 O -1.9442321 0.0922262 0.4148824 0.1587514 -1.5758519 -0.1320657 0.4323696 -0.1821393 -1.9537343 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000010 (yyy) -0.00000010 (yyy) -0.00000010 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:29:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:29:27]------------------------- 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: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.339827340000000 -2.852793440000001 0.000000000000000 b 5.339827340000000 2.852793440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.935210870000001 Atomic positions (fractional): 1 Na 0.67940877955271 0.32059122044729 0.94017602501285 22.990 2 Na 0.67940877955271 0.32059122044729 0.55982397498715 22.990 3 Na 0.32059122044729 0.67940877955271 0.44017602501285 22.990 4 Na 0.16638653689940 0.42969014930169 0.25000000000000 22.990 5 Na 0.78088173587005 0.78088173587005 0.00000000000000 22.990 6 Na 0.57030985069831 0.83361346310060 0.25000000000000 22.990 7 Na 0.21911826412995 0.21911826412995 0.50000000000000 22.990 8 Na 0.32059122044729 0.67940877955271 0.05982397498715 22.990 9 Na 0.42969014930169 0.16638653689941 0.75000000000000 22.990 10 Na 0.21911826412995 0.21911826412995 0.00000000000000 22.990 11 Na 0.78088173587005 0.78088173587005 0.50000000000000 22.990 12 Na 0.83361346310059 0.57030985069831 0.75000000000000 22.990 13 Pb 0.79275426807528 0.20724573192472 0.25000000000000 207.200 14 Pb 0.20724573192472 0.79275426807528 0.75000000000000 207.200 15 O 0.83413612258208 0.16586387741792 0.75000000000000 15.999 16 O 0.83431388108270 0.44441975910590 0.11388945271604 15.999 17 O 0.55558024089410 0.16568611891730 0.38611054728396 15.999 18 O 0.83431388108270 0.44441975910590 0.38611054728396 15.999 19 O 0.16568611891730 0.55558024089410 0.61388945271604 15.999 20 O 0.16568611891730 0.55558024089410 0.88611054728396 15.999 21 O 0.55558024089410 0.16568611891730 0.11388945271604 15.999 22 O 0.44441975910590 0.83431388108270 0.88611054728396 15.999 23 O 0.16586387741792 0.83413612258208 0.25000000000000 15.999 24 O 0.44441975910590 0.83431388108270 0.61388945271604 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.679654680000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.411173760000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.935210870000001 Atomic positions (fractional): 1 Na 0.00000000000000 0.16029561022364 0.94017602501285 22.990 > 1 2 Na 0.00000000000000 0.66029561022364 0.94017602501285 22.990 > 1 3 Na 0.00000000000000 0.16029561022364 0.55982397498715 22.990 > 3 4 Na 0.00000000000000 0.66029561022364 0.55982397498715 22.990 > 3 5 Na 0.00000000000000 0.33970438977636 0.44017602501285 22.990 > 5 6 Na 0.00000000000000 0.83970438977636 0.44017602501285 22.990 > 5 7 Na 0.29803834310055 0.06582590310057 0.25000000000000 22.990 > 7 8 Na 0.29803834310055 0.56582590310057 0.25000000000000 22.990 > 7 9 Na 0.28088173587005 0.25000000000000 0.00000000000000 22.990 > 9 10 Na 0.28088173587005 0.75000000000000 0.00000000000000 22.990 > 9 11 Na 0.20196165689945 0.31582590310057 0.25000000000000 22.990 > 11 12 Na 0.20196165689945 0.81582590310057 0.25000000000000 22.990 > 11 13 Na 0.21911826412995 0.00000000000000 0.50000000000000 22.990 > 13 14 Na 0.21911826412995 0.50000000000000 0.50000000000000 22.990 > 13 15 Na 0.00000000000000 0.33970438977636 0.05982397498715 22.990 > 15 16 Na 0.00000000000000 0.83970438977636 0.05982397498715 22.990 > 15 17 Na 0.29803834310055 0.43417409689943 0.75000000000000 22.990 > 17 18 Na 0.29803834310055 0.93417409689943 0.75000000000000 22.990 > 17 19 Na 0.21911826412995 0.00000000000000 0.00000000000000 22.990 > 19 20 Na 0.21911826412995 0.50000000000000 0.00000000000000 22.990 > 19 21 Na 0.28088173587005 0.25000000000000 0.50000000000000 22.990 > 21 22 Na 0.28088173587005 0.75000000000000 0.50000000000000 22.990 > 21 23 Na 0.20196165689945 0.18417409689943 0.75000000000000 22.990 > 23 24 Na 0.20196165689945 0.68417409689943 0.75000000000000 22.990 > 23 25 Na 0.50000000000000 0.41029561022364 0.94017602501285 22.990 > 1 26 Na 0.50000000000000 0.91029561022364 0.94017602501285 22.990 > 1 27 Na 0.50000000000000 0.41029561022364 0.55982397498715 22.990 > 3 28 Na 0.50000000000000 0.91029561022364 0.55982397498715 22.990 > 3 29 Na 0.50000000000000 0.08970438977636 0.44017602501285 22.990 > 5 30 Na 0.50000000000000 0.58970438977636 0.44017602501285 22.990 > 5 31 Na 0.79803834310055 0.31582590310057 0.25000000000000 22.990 > 7 32 Na 0.79803834310055 0.81582590310057 0.25000000000000 22.990 > 7 33 Na 0.78088173587005 0.00000000000000 0.00000000000000 22.990 > 9 34 Na 0.78088173587005 0.50000000000000 0.00000000000000 22.990 > 9 35 Na 0.70196165689945 0.06582590310057 0.25000000000000 22.990 > 11 36 Na 0.70196165689945 0.56582590310057 0.25000000000000 22.990 > 11 37 Na 0.71911826412995 0.25000000000000 0.50000000000000 22.990 > 13 38 Na 0.71911826412995 0.75000000000000 0.50000000000000 22.990 > 13 39 Na 0.50000000000000 0.08970438977636 0.05982397498715 22.990 > 15 40 Na 0.50000000000000 0.58970438977636 0.05982397498715 22.990 > 15 41 Na 0.79803834310055 0.18417409689943 0.75000000000000 22.990 > 17 42 Na 0.79803834310055 0.68417409689943 0.75000000000000 22.990 > 17 43 Na 0.71911826412995 0.25000000000000 0.00000000000000 22.990 > 19 44 Na 0.71911826412995 0.75000000000000 0.00000000000000 22.990 > 19 45 Na 0.78088173587005 0.00000000000000 0.50000000000000 22.990 > 21 46 Na 0.78088173587005 0.50000000000000 0.50000000000000 22.990 > 21 47 Na 0.70196165689945 0.43417409689943 0.75000000000000 22.990 > 23 48 Na 0.70196165689945 0.93417409689943 0.75000000000000 22.990 > 23 49 Pb 0.00000000000000 0.10362286596236 0.25000000000000 207.200 > 49 50 Pb 0.00000000000000 0.60362286596236 0.25000000000000 207.200 > 49 51 Pb 0.00000000000000 0.39637713403764 0.75000000000000 207.200 > 51 52 Pb 0.00000000000000 0.89637713403764 0.75000000000000 207.200 > 51 53 Pb 0.50000000000000 0.35362286596236 0.25000000000000 207.200 > 49 54 Pb 0.50000000000000 0.85362286596236 0.25000000000000 207.200 > 49 55 Pb 0.50000000000000 0.14637713403764 0.75000000000000 207.200 > 51 56 Pb 0.50000000000000 0.64637713403764 0.75000000000000 207.200 > 51 57 O 0.00000000000000 0.08293193870896 0.75000000000000 15.999 > 57 58 O 0.00000000000000 0.58293193870896 0.75000000000000 15.999 > 57 59 O 0.13936682009430 0.15252646950580 0.11388945271604 15.999 > 59 60 O 0.13936682009430 0.65252646950580 0.11388945271604 15.999 > 59 61 O 0.36063317990570 0.40252646950580 0.38611054728396 15.999 > 61 62 O 0.36063317990570 0.90252646950580 0.38611054728396 15.999 > 61 63 O 0.13936682009430 0.15252646950580 0.38611054728396 15.999 > 63 64 O 0.13936682009430 0.65252646950580 0.38611054728396 15.999 > 63 65 O 0.36063317990570 0.09747353049420 0.61388945271604 15.999 > 65 66 O 0.36063317990570 0.59747353049420 0.61388945271604 15.999 > 65 67 O 0.36063317990570 0.09747353049420 0.88611054728396 15.999 > 67 68 O 0.36063317990570 0.59747353049420 0.88611054728396 15.999 > 67 69 O 0.36063317990570 0.40252646950580 0.11388945271604 15.999 > 69 70 O 0.36063317990570 0.90252646950580 0.11388945271604 15.999 > 69 71 O 0.13936682009430 0.34747353049420 0.88611054728396 15.999 > 71 72 O 0.13936682009430 0.84747353049420 0.88611054728396 15.999 > 71 73 O 0.00000000000000 0.41706806129104 0.25000000000000 15.999 > 73 74 O 0.00000000000000 0.91706806129104 0.25000000000000 15.999 > 73 75 O 0.13936682009430 0.34747353049420 0.61388945271604 15.999 > 75 76 O 0.13936682009430 0.84747353049420 0.61388945271604 15.999 > 75 77 O 0.50000000000000 0.33293193870896 0.75000000000000 15.999 > 57 78 O 0.50000000000000 0.83293193870896 0.75000000000000 15.999 > 57 79 O 0.63936682009430 0.40252646950580 0.11388945271604 15.999 > 59 80 O 0.63936682009430 0.90252646950580 0.11388945271604 15.999 > 59 81 O 0.86063317990570 0.15252646950580 0.38611054728396 15.999 > 61 82 O 0.86063317990570 0.65252646950580 0.38611054728396 15.999 > 61 83 O 0.63936682009430 0.40252646950580 0.38611054728396 15.999 > 63 84 O 0.63936682009430 0.90252646950580 0.38611054728396 15.999 > 63 85 O 0.86063317990570 0.34747353049420 0.61388945271604 15.999 > 65 86 O 0.86063317990570 0.84747353049420 0.61388945271604 15.999 > 65 87 O 0.86063317990570 0.34747353049420 0.88611054728396 15.999 > 67 88 O 0.86063317990570 0.84747353049420 0.88611054728396 15.999 > 67 89 O 0.86063317990570 0.15252646950580 0.11388945271604 15.999 > 69 90 O 0.86063317990570 0.65252646950580 0.11388945271604 15.999 > 69 91 O 0.63936682009430 0.09747353049420 0.88611054728396 15.999 > 71 92 O 0.63936682009430 0.59747353049420 0.88611054728396 15.999 > 71 93 O 0.50000000000000 0.16706806129104 0.25000000000000 15.999 > 73 94 O 0.50000000000000 0.66706806129104 0.25000000000000 15.999 > 73 95 O 0.63936682009430 0.09747353049420 0.61388945271604 15.999 > 75 96 O 0.63936682009430 0.59747353049420 0.61388945271604 15.999 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8022838 0.0000000 0.0000000 0.0000000 3.6696036 0.0000000 0.0000000 0.0000000 3.8689298 -------------------------- Born effective charges -------------------------- 1 Na 0.8456799 -0.0000000 0.0000000 0.0000000 1.0728007 0.0732814 0.0000000 -0.0827342 1.1301234 2 Na 0.8456799 -0.0000000 0.0000000 0.0000000 1.0728007 -0.0732814 0.0000000 0.0827342 1.1301234 3 Na 0.8456799 -0.0000000 0.0000000 0.0000000 1.0728007 -0.0732814 0.0000000 0.0827342 1.1301234 4 Na 1.1457084 -0.1892143 0.0000000 0.0238839 1.0500450 0.0000000 0.0000000 0.0000000 0.7995696 5 Na 1.0711851 -0.0000000 0.0000000 0.0000000 0.9066410 0.0061765 0.0000000 0.0125836 1.1063129 6 Na 1.1457084 0.1892143 0.0000000 -0.0238839 1.0500450 0.0000000 0.0000000 0.0000000 0.7995696 7 Na 1.0711851 -0.0000000 0.0000000 0.0000000 0.9066410 -0.0061765 0.0000000 -0.0125836 1.1063129 8 Na 0.8456799 -0.0000000 0.0000000 0.0000000 1.0728007 0.0732814 0.0000000 -0.0827342 1.1301234 9 Na 1.1457084 0.1892143 0.0000000 -0.0238839 1.0500450 0.0000000 0.0000000 0.0000000 0.7995696 10 Na 1.0711851 -0.0000000 0.0000000 0.0000000 0.9066410 0.0061765 0.0000000 0.0125836 1.1063129 11 Na 1.0711851 -0.0000000 0.0000000 0.0000000 0.9066410 -0.0061765 0.0000000 -0.0125836 1.1063129 12 Na 1.1457084 -0.1892143 0.0000000 0.0238839 1.0500450 0.0000000 0.0000000 0.0000000 0.7995696 13 Pb 3.2160870 -0.0000000 0.0000000 0.0000000 2.8946822 0.0000000 0.0000000 0.0000000 3.1686224 14 Pb 3.2160870 -0.0000000 0.0000000 0.0000000 2.8946822 0.0000000 0.0000000 0.0000000 3.1686224 15 O -1.5643053 -0.0000000 0.0000000 0.0000000 -2.6502481 0.0000000 0.0000000 0.0000000 -1.4256971 16 O -1.9442321 -0.0922262 0.4148824 -0.1587514 -1.5758519 0.1320657 0.4323696 0.1821393 -1.9537343 17 O -1.9442321 0.0922262 0.4148824 0.1587514 -1.5758519 -0.1320657 0.4323696 -0.1821393 -1.9537343 18 O -1.9442321 -0.0922262 -0.4148824 -0.1587514 -1.5758519 -0.1320657 -0.4323696 -0.1821393 -1.9537343 19 O -1.9442321 -0.0922262 -0.4148824 -0.1587514 -1.5758519 -0.1320657 -0.4323696 -0.1821393 -1.9537343 20 O -1.9442321 -0.0922262 0.4148824 -0.1587514 -1.5758519 0.1320657 0.4323696 0.1821393 -1.9537343 21 O -1.9442321 0.0922262 -0.4148824 0.1587514 -1.5758519 0.1320657 -0.4323696 0.1821393 -1.9537343 22 O -1.9442321 0.0922262 -0.4148824 0.1587514 -1.5758519 0.1320657 -0.4323696 0.1821393 -1.9537343 23 O -1.5643053 -0.0000000 0.0000000 0.0000000 -2.6502481 0.0000000 0.0000000 0.0000000 -1.4256971 24 O -1.9442321 0.0922262 0.4148824 0.1587514 -1.5758519 -0.1320657 0.4323696 -0.1821393 -1.9537343 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000010 (yyy) -0.00000010 (yyy) -0.00000010 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 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: 0.60, Number of G-points: 305, Lambda: 0.12 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 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 1.875 ( 0.000 0.000 0.000) 0.000 2.040 ( 0.000 0.000 0.000) 0.000 2.233 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.088 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.545 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.514 ( 0.000 0.000 0.000) 0.000 5.537 ( 0.000 0.000 0.000) 0.000 5.573 ( 0.000 0.000 0.000) 0.000 5.787 ( 0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 5.931 ( 0.000 0.000 0.000) 0.000 5.983 ( 0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 0.000) 0.000 6.113 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.787 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 6.831 ( 0.000 0.000 0.000) 0.000 6.874 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.385 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 7.575 ( 0.000 0.000 0.000) 0.000 7.770 ( 0.000 0.000 0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 8.034 ( 0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 8.294 ( 0.000 0.000 0.000) 0.000 8.436 ( 0.000 0.000 0.000) 0.000 8.449 ( 0.000 0.000 0.000) 0.000 8.542 ( 0.000 0.000 0.000) 0.000 8.817 ( 0.000 0.000 0.000) 0.000 8.967 ( 0.000 0.000 0.000) 0.000 9.043 ( 0.000 0.000 0.000) 0.000 9.188 ( 0.000 0.000 0.000) 0.000 9.226 ( 0.000 0.000 0.000) 0.000 9.464 ( 0.000 0.000 0.000) 0.000 9.674 ( 0.000 0.000 0.000) 0.000 10.503 ( 0.000 0.000 0.000) 0.000 10.801 ( 0.000 0.000 0.000) 0.000 11.143 ( 0.000 0.000 0.000) 0.000 11.578 ( 0.000 0.000 0.000) 0.000 12.441 ( 0.000 0.000 0.000) 0.000 12.494 ( 0.000 0.000 0.000) 0.000 13.663 ( 0.000 0.000 0.000) 0.000 14.013 ( 0.000 0.000 0.000) 0.000 14.027 ( 0.000 0.000 0.000) 0.000 14.151 ( 0.000 0.000 0.000) 0.000 14.159 ( 0.000 0.000 0.000) 0.000 15.856 ( 0.000 0.000 0.000) 0.000 15.864 ( 0.000 0.000 0.000) 0.000 15.932 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 17.282 -19.952 0.000) 26.396 0.562 ( 9.557 -26.965 0.000) 28.608 0.879 ( 22.153 -37.182 0.000) 43.282 1.944 ( 2.724 -3.704 0.000) 4.597 2.132 ( 7.408 -7.693 0.000) 10.680 2.251 ( 3.421 0.788 0.000) 3.510 2.722 ( 1.937 17.199 0.000) 17.308 3.076 ( -4.415 7.518 0.000) 8.719 3.234 ( -2.629 -0.466 0.000) 2.670 3.290 ( 0.263 0.174 0.000) 0.316 3.332 ( -0.763 -4.207 0.000) 4.275 3.539 ( -0.742 0.912 0.000) 1.176 3.555 ( 5.826 0.193 0.000) 5.829 3.969 ( -4.367 -0.698 0.000) 4.423 4.077 ( -8.273 -15.476 0.000) 17.549 4.309 ( 1.488 1.490 0.000) 2.106 4.360 ( 3.962 1.951 0.000) 4.416 4.479 ( -2.597 4.288 0.000) 5.013 4.521 ( -3.480 -1.573 0.000) 3.819 4.727 ( -0.155 -6.527 0.000) 6.529 5.010 ( -0.470 0.057 0.000) 0.473 5.130 ( 3.224 -4.134 0.000) 5.242 5.213 ( -21.804 -12.469 0.000) 25.118 5.463 ( 0.114 5.124 0.000) 5.125 5.586 ( 4.645 -2.526 0.000) 5.287 5.621 ( 0.355 14.102 0.000) 14.107 5.633 ( -10.880 -4.207 0.000) 11.664 5.935 ( -3.420 -1.766 0.000) 3.849 5.979 ( -0.235 -1.797 0.000) 1.812 6.040 ( 10.372 8.814 0.000) 13.611 6.067 ( -2.439 -0.773 0.000) 2.559 6.116 ( 2.215 0.378 0.000) 2.247 6.214 ( 3.240 -4.900 0.000) 5.874 6.548 ( -5.801 15.025 0.000) 16.106 6.836 ( -1.084 -1.891 0.000) 2.180 6.907 ( -0.216 -3.118 0.000) 3.125 6.969 ( 2.227 0.621 0.000) 2.312 7.020 ( -4.543 10.935 0.000) 11.841 7.296 ( 9.888 -5.108 0.000) 11.130 7.417 ( 7.405 -0.954 0.000) 7.466 7.488 ( -1.835 6.517 0.000) 6.771 7.553 ( 5.641 4.234 0.000) 7.053 7.807 ( 12.451 17.474 0.000) 21.456 8.013 ( 6.248 2.095 0.000) 6.590 8.050 ( -1.067 -1.307 0.000) 1.687 8.100 ( -5.819 4.469 0.000) 7.337 8.138 ( 6.062 4.422 0.000) 7.503 8.177 ( 1.798 4.442 0.000) 4.792 8.381 ( -0.554 6.709 0.000) 6.732 8.596 ( -0.700 -5.999 0.000) 6.040 8.618 ( -0.283 -11.068 0.000) 11.072 8.947 ( -1.070 1.127 0.000) 1.554 8.988 ( -7.209 -2.113 0.000) 7.512 9.209 ( 4.372 1.039 0.000) 4.493 9.255 ( -0.827 -2.833 0.000) 2.951 9.640 ( 1.487 -15.315 0.000) 15.387 9.675 ( 0.129 -0.364 0.000) 0.387 10.405 ( -3.060 -2.202 0.000) 3.770 10.528 ( -0.252 -2.899 0.000) 2.910 10.792 ( 2.357 2.325 0.000) 3.311 11.525 ( -23.082 -8.640 0.000) 24.646 11.556 ( -0.734 2.146 0.000) 2.268 12.300 ( 2.046 8.062 0.000) 8.318 12.711 ( 2.408 -13.928 0.000) 14.135 13.678 ( 2.682 -0.382 0.000) 2.709 13.957 ( 3.257 5.656 0.000) 6.527 14.128 ( -0.454 -2.659 0.000) 2.697 14.186 ( 4.628 -3.424 0.000) 5.757 15.633 ( 6.499 6.772 0.000) 9.386 15.786 ( -2.726 6.297 0.000) 6.861 15.895 ( 1.279 -2.240 0.000) 2.579 16.017 ( -2.962 -0.279 0.000) 2.975 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 15.854 -18.938 0.000) 24.698 1.120 ( 10.730 -25.619 0.000) 27.775 1.693 ( 21.502 -31.417 0.000) 38.070 2.017 ( -1.506 -4.436 0.000) 4.685 2.215 ( 0.419 6.022 0.000) 6.037 2.407 ( 13.065 -9.908 0.000) 16.397 2.502 ( 9.290 12.731 0.000) 15.760 2.888 ( -2.691 6.958 0.000) 7.460 3.223 ( -1.471 -0.580 0.000) 1.582 3.302 ( 5.814 1.812 0.000) 6.090 3.389 ( -2.183 -3.108 0.000) 3.798 3.540 ( 0.554 -2.530 0.000) 2.590 3.562 ( -1.096 3.613 0.000) 3.775 3.948 ( -8.303 -3.686 0.000) 9.085 4.177 ( -9.630 -6.785 0.000) 11.780 4.220 ( -8.268 6.106 0.000) 10.278 4.327 ( -2.229 3.919 0.000) 4.508 4.423 ( 10.671 4.020 0.000) 11.403 4.602 ( -2.267 -10.589 0.000) 10.829 4.884 ( -2.173 -11.613 0.000) 11.815 4.963 ( -2.299 4.806 0.000) 5.328 5.132 ( -10.623 6.664 0.000) 12.540 5.264 ( 5.451 -4.940 0.000) 7.356 5.371 ( 4.419 5.934 0.000) 7.398 5.436 ( -0.154 4.379 0.000) 4.382 5.599 ( -6.637 -0.793 0.000) 6.685 5.692 ( 5.547 -3.379 0.000) 6.495 5.819 ( -5.167 7.146 0.000) 8.818 6.008 ( -5.112 -2.681 0.000) 5.773 6.045 ( 7.402 1.515 0.000) 7.556 6.057 ( -4.352 -1.914 0.000) 4.754 6.142 ( 3.573 -0.050 0.000) 3.574 6.282 ( -0.617 9.793 0.000) 9.813 6.381 ( 5.982 -8.998 0.000) 10.805 6.710 ( -3.679 18.364 0.000) 18.729 6.819 ( -6.915 0.538 0.000) 6.936 6.954 ( -1.203 -2.254 0.000) 2.555 6.983 ( 3.483 0.071 0.000) 3.484 7.274 ( -3.610 13.882 0.000) 14.344 7.374 ( 0.239 -1.091 0.000) 1.117 7.494 ( 10.419 16.554 0.000) 19.560 7.525 ( 7.766 6.864 0.000) 10.365 7.592 ( 7.845 5.975 0.000) 9.861 7.979 ( -4.556 1.897 0.000) 4.935 7.985 ( 1.028 2.621 0.000) 2.816 8.054 ( -4.105 -1.956 0.000) 4.547 8.174 ( 0.275 -0.930 0.000) 0.970 8.198 ( 4.547 -3.288 0.000) 5.611 8.296 ( 4.385 2.758 0.000) 5.181 8.716 ( -2.541 -8.444 0.000) 8.818 8.747 ( -1.661 -4.127 0.000) 4.449 8.934 ( -0.950 -1.227 0.000) 1.552 8.986 ( -8.537 -5.038 0.000) 9.912 9.242 ( 3.385 -1.112 0.000) 3.563 9.275 ( -3.569 -1.283 0.000) 3.793 9.699 ( 1.606 -1.554 0.000) 2.235 9.935 ( 2.088 -15.274 0.000) 15.416 10.420 ( -0.637 -1.564 0.000) 1.689 10.598 ( -0.588 -5.490 0.000) 5.522 10.766 ( 4.529 4.174 0.000) 6.159 11.432 ( -13.597 -0.587 0.000) 13.609 11.490 ( -1.019 4.369 0.000) 4.486 12.215 ( 3.990 5.124 0.000) 6.494 12.980 ( 0.949 -13.902 0.000) 13.935 13.741 ( 6.871 -2.459 0.000) 7.298 13.898 ( 1.719 3.774 0.000) 4.147 14.153 ( -0.790 -1.797 0.000) 1.963 14.333 ( 4.705 -7.465 0.000) 8.824 15.553 ( 0.631 6.261 0.000) 6.292 15.596 ( -4.903 11.002 0.000) 12.045 15.946 ( 0.438 -2.029 0.000) 2.075 16.001 ( -1.675 -1.122 0.000) 2.016 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 13.358 -15.811 0.000) 20.699 1.646 ( 10.600 -22.194 0.000) 24.595 2.057 ( -2.887 -3.661 0.000) 4.662 2.101 ( 2.205 7.020 0.000) 7.358 2.360 ( 18.359 -20.661 0.000) 27.639 2.429 ( 11.607 6.945 0.000) 13.527 2.645 ( 8.711 -4.582 0.000) 9.842 2.810 ( 0.551 0.809 0.000) 0.979 3.227 ( -0.738 -0.970 0.000) 1.219 3.309 ( -4.371 2.593 0.000) 5.082 3.433 ( 4.292 8.198 0.000) 9.254 3.434 ( 0.207 -4.627 0.000) 4.632 3.632 ( 0.428 -6.035 0.000) 6.050 3.894 ( -12.585 0.438 0.000) 12.592 4.071 ( -7.073 -1.229 0.000) 7.179 4.140 ( -12.492 0.657 0.000) 12.509 4.251 ( 1.810 1.793 0.000) 2.548 4.500 ( 12.458 0.746 0.000) 12.480 4.775 ( -6.659 -12.917 0.000) 14.532 4.792 ( -2.913 11.038 0.000) 11.415 4.866 ( -0.302 14.786 0.000) 14.789 5.044 ( -5.661 -9.295 0.000) 10.883 5.299 ( 5.111 1.400 0.000) 5.299 5.386 ( -9.177 -0.553 0.000) 9.194 5.450 ( 9.394 -2.355 0.000) 9.685 5.512 ( -7.133 2.153 0.000) 7.451 5.682 ( -0.886 4.932 0.000) 5.011 5.786 ( 2.936 -2.578 0.000) 3.907 5.935 ( -5.525 2.210 0.000) 5.951 6.067 ( -5.271 -4.868 0.000) 7.175 6.104 ( 5.553 0.582 0.000) 5.583 6.180 ( 4.098 -0.001 0.000) 4.098 6.225 ( 3.715 0.795 0.000) 3.799 6.313 ( 0.325 21.401 0.000) 21.403 6.656 ( 8.793 -9.752 0.000) 13.131 6.707 ( -7.795 2.799 0.000) 8.283 6.891 ( -4.709 6.725 0.000) 8.210 6.990 ( -4.478 12.084 0.000) 12.887 7.034 ( 7.568 1.178 0.000) 7.660 7.259 ( 5.246 10.775 0.000) 11.984 7.370 ( -3.253 0.640 0.000) 3.316 7.453 ( 5.504 7.732 0.000) 9.491 7.577 ( 1.324 3.469 0.000) 3.713 7.946 ( -2.611 -1.391 0.000) 2.958 7.970 ( 1.934 1.030 0.000) 2.192 8.053 ( -4.100 -2.056 0.000) 4.586 8.162 ( -2.543 2.001 0.000) 3.235 8.311 ( 6.640 -2.828 0.000) 7.217 8.372 ( 9.640 -3.133 0.000) 10.136 8.768 ( 0.721 -0.545 0.000) 0.904 8.810 ( -4.930 -5.551 0.000) 7.424 8.953 ( -2.911 -2.057 0.000) 3.565 8.986 ( -8.322 -3.961 0.000) 9.216 9.239 ( -4.552 0.470 0.000) 4.576 9.316 ( 1.657 -4.306 0.000) 4.613 9.751 ( 2.266 -1.820 0.000) 2.906 10.190 ( 1.491 -11.338 0.000) 11.436 10.445 ( -0.751 -1.735 0.000) 1.890 10.704 ( -0.802 -7.134 0.000) 7.179 10.739 ( 6.672 4.401 0.000) 7.993 11.300 ( -10.137 2.643 0.000) 10.475 11.388 ( -0.777 6.137 0.000) 6.186 12.185 ( 4.051 2.842 0.000) 4.949 13.180 ( -2.194 -9.029 0.000) 9.292 13.856 ( 0.838 2.380 0.000) 2.524 13.916 ( 11.276 -7.918 0.000) 13.779 14.181 ( 0.075 -1.746 0.000) 1.747 14.524 ( 4.775 -9.019 0.000) 10.205 15.323 ( -6.531 13.604 0.000) 15.091 15.423 ( -2.320 7.583 0.000) 7.930 15.966 ( -0.865 -1.173 0.000) 1.458 16.032 ( 0.156 -2.373 0.000) 2.378 ======================= Grid point 4 (5/93) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 9.089 -9.170 0.000) 12.911 1.931 ( 1.088 1.723 0.000) 2.038 2.077 ( -3.644 -2.459 0.000) 4.396 2.173 ( 10.752 -14.092 0.000) 17.726 2.451 ( 9.748 3.553 0.000) 10.375 2.726 ( 11.951 -4.099 0.000) 12.635 2.748 ( 2.248 -2.422 0.000) 3.305 2.886 ( 3.230 -6.586 0.000) 7.336 3.078 ( -12.544 8.818 0.000) 15.333 3.258 ( 1.170 -3.508 0.000) 3.698 3.391 ( 5.461 7.100 0.000) 8.957 3.526 ( 1.383 -3.151 0.000) 3.441 3.721 ( -3.481 -3.723 0.000) 5.096 3.795 ( -9.758 -3.216 0.000) 10.274 3.992 ( -8.779 2.530 0.000) 9.136 4.061 ( -1.710 -0.167 0.000) 1.718 4.264 ( 2.114 -0.143 0.000) 2.119 4.561 ( 1.214 6.325 0.000) 6.440 4.612 ( 3.704 0.707 0.000) 3.771 4.697 ( 6.520 7.758 0.000) 10.134 4.914 ( -4.625 -8.086 0.000) 9.315 5.116 ( -7.753 -8.787 0.000) 11.718 5.268 ( -10.878 0.744 0.000) 10.904 5.371 ( 5.815 -1.752 0.000) 6.073 5.429 ( -6.022 1.667 0.000) 6.248 5.515 ( 2.406 1.216 0.000) 2.696 5.615 ( 3.612 2.922 0.000) 4.646 5.846 ( 1.790 -1.176 0.000) 2.141 5.897 ( 2.382 2.556 0.000) 3.494 5.931 ( 3.654 20.031 0.000) 20.361 6.028 ( -8.488 3.732 0.000) 9.273 6.166 ( -3.197 -7.777 0.000) 8.409 6.214 ( 4.221 0.619 0.000) 4.266 6.301 ( 6.821 -2.896 0.000) 7.411 6.630 ( -4.279 0.782 0.000) 4.349 6.691 ( 0.223 10.348 0.000) 10.350 6.721 ( -3.111 4.788 0.000) 5.710 6.927 ( 5.167 -1.570 0.000) 5.400 7.080 ( 6.539 0.682 0.000) 6.574 7.199 ( -1.475 0.713 0.000) 1.638 7.299 ( -4.921 1.895 0.000) 5.273 7.425 ( 5.555 -1.045 0.000) 5.652 7.540 ( 0.159 1.257 0.000) 1.267 7.958 ( -0.680 -1.253 0.000) 1.425 7.971 ( 1.391 0.669 0.000) 1.543 8.009 ( -8.555 2.968 0.000) 9.055 8.082 ( 0.252 2.567 0.000) 2.580 8.405 ( 5.289 -1.443 0.000) 5.482 8.533 ( 9.581 -3.045 0.000) 10.053 8.809 ( 3.361 -1.815 0.000) 3.820 8.822 ( -4.482 -1.756 0.000) 4.813 8.938 ( -4.260 -0.051 0.000) 4.261 8.969 ( -7.134 -2.238 0.000) 7.477 9.192 ( -2.929 0.595 0.000) 2.989 9.405 ( 0.490 -4.028 0.000) 4.058 9.794 ( 1.437 -0.968 0.000) 1.733 10.349 ( 1.017 -5.427 0.000) 5.522 10.456 ( -1.958 -0.741 0.000) 2.093 10.754 ( 7.099 1.227 0.000) 7.204 10.822 ( -0.624 -6.649 0.000) 6.678 11.164 ( -6.977 3.170 0.000) 7.664 11.271 ( -0.332 6.103 0.000) 6.112 12.182 ( 2.472 1.225 0.000) 2.759 13.264 ( -2.176 -3.565 0.000) 4.176 13.831 ( 0.336 1.137 0.000) 1.186 14.206 ( 11.187 -11.846 0.000) 16.294 14.209 ( 0.317 -1.100 0.000) 1.145 14.729 ( 4.457 -8.878 0.000) 9.934 15.011 ( -7.546 13.778 0.000) 15.709 15.253 ( -3.555 8.072 0.000) 8.820 15.980 ( -0.419 -0.984 0.000) 1.070 16.068 ( 0.142 -1.429 0.000) 1.436 ======================= Grid point 5 (6/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 0.000 -0.000 0.000) 0.000 1.920 ( -0.000 -0.000 0.000) 0.000 2.083 ( 0.000 -0.000 0.000) 0.000 2.409 ( -0.000 0.000 0.000) 0.000 2.499 ( 0.000 -0.000 0.000) 0.000 2.785 ( 0.000 -0.000 0.000) 0.000 2.788 ( 0.000 -0.000 0.000) 0.000 2.810 ( -0.000 -0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 -0.000 0.000) 0.000 3.335 ( 0.000 -0.000 0.000) 0.000 3.558 ( 0.000 -0.000 0.000) 0.000 3.711 ( -0.000 0.000 0.000) 0.000 3.761 ( 0.000 -0.000 0.000) 0.000 3.928 ( 0.000 -0.000 0.000) 0.000 4.070 ( 0.000 -0.000 0.000) 0.000 4.278 ( 0.000 -0.000 0.000) 0.000 4.510 ( 0.000 -0.000 0.000) 0.000 4.635 ( -0.000 -0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 -0.000 0.000) 0.000 5.203 ( 0.000 0.000 0.000) 0.000 5.212 ( 0.000 -0.000 0.000) 0.000 5.367 ( -0.000 -0.000 0.000) 0.000 5.397 ( -0.000 -0.000 0.000) 0.000 5.527 ( 0.000 -0.000 0.000) 0.000 5.637 ( -0.000 -0.000 0.000) 0.000 5.706 ( 0.000 -0.000 0.000) 0.000 5.816 ( 0.000 -0.000 0.000) 0.000 5.884 ( -0.000 -0.000 0.000) 0.000 5.987 ( 0.000 -0.000 0.000) 0.000 6.224 ( -0.000 -0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.395 ( 0.000 -0.000 0.000) 0.000 6.520 ( -0.000 0.000 0.000) 0.000 6.647 ( 0.000 -0.000 0.000) 0.000 6.657 ( 0.000 -0.000 0.000) 0.000 6.944 ( 0.000 -0.000 0.000) 0.000 7.128 ( -0.000 -0.000 0.000) 0.000 7.163 ( 0.000 -0.000 0.000) 0.000 7.257 ( 0.000 -0.000 0.000) 0.000 7.521 ( 0.000 -0.000 0.000) 0.000 7.531 ( 0.000 -0.000 0.000) 0.000 7.889 ( -0.000 0.000 0.000) 0.000 7.967 ( -0.000 -0.000 0.000) 0.000 7.972 ( 0.000 -0.000 0.000) 0.000 8.068 ( 0.000 -0.000 0.000) 0.000 8.447 ( 0.000 -0.000 0.000) 0.000 8.610 ( -0.000 -0.000 0.000) 0.000 8.816 ( -0.000 -0.000 0.000) 0.000 8.876 ( 0.000 -0.000 0.000) 0.000 8.884 ( 0.000 -0.000 0.000) 0.000 8.947 ( 0.000 -0.000 0.000) 0.000 9.172 ( -0.000 -0.000 0.000) 0.000 9.445 ( 0.000 -0.000 0.000) 0.000 9.809 ( 0.000 -0.000 0.000) 0.000 10.404 ( 0.000 -0.000 0.000) 0.000 10.445 ( -0.000 -0.000 0.000) 0.000 10.791 ( -0.000 -0.000 0.000) 0.000 10.890 ( 0.000 -0.000 0.000) 0.000 11.093 ( 0.000 -0.000 0.000) 0.000 11.204 ( 0.000 0.000 0.000) 0.000 12.183 ( 0.000 -0.000 0.000) 0.000 13.282 ( 0.000 -0.000 0.000) 0.000 13.822 ( 0.000 -0.000 0.000) 0.000 14.221 ( 0.000 -0.000 0.000) 0.000 14.431 ( -0.000 -0.000 0.000) 0.000 14.789 ( 0.000 -0.000 0.000) 0.000 14.861 ( 0.000 -0.000 0.000) 0.000 15.133 ( 0.000 -0.000 0.000) 0.000 15.988 ( 0.000 -0.000 0.000) 0.000 16.082 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/93) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 24.025 0.000 0.000) 24.025 0.444 ( 24.773 0.000 0.000) 24.773 0.936 ( 48.815 0.000 0.000) 48.815 2.023 ( 14.512 0.000 0.000) 14.512 2.122 ( 8.489 0.000 0.000) 8.489 2.312 ( 6.474 0.000 0.000) 6.474 2.935 ( -0.653 -0.000 0.000) 0.653 3.105 ( 1.180 0.000 0.000) 1.180 3.175 ( -3.681 -0.000 0.000) 3.681 3.196 ( -8.109 -0.000 0.000) 8.109 3.288 ( 0.953 0.000 0.000) 0.953 3.531 ( -2.055 -0.000 0.000) 2.055 3.719 ( 12.542 0.000 0.000) 12.542 3.810 ( -8.263 -0.000 0.000) 8.263 3.921 ( -6.228 -0.000 0.000) 6.228 4.253 ( -5.411 -0.000 0.000) 5.411 4.406 ( 1.180 0.000 0.000) 1.180 4.458 ( -5.689 -0.000 0.000) 5.689 4.502 ( 7.681 0.000 0.000) 7.681 4.677 ( 0.871 0.000 0.000) 0.871 4.862 ( -2.212 -0.000 0.000) 2.212 5.002 ( -0.861 -0.000 0.000) 0.861 5.126 ( 5.234 0.000 0.000) 5.234 5.508 ( 0.451 0.000 0.000) 0.451 5.548 ( -2.049 -0.000 0.000) 2.049 5.630 ( 8.288 0.000 0.000) 8.288 5.714 ( -7.317 -0.000 0.000) 7.317 5.922 ( 0.281 0.000 0.000) 0.281 5.933 ( -0.761 -0.000 0.000) 0.761 6.031 ( -3.776 -0.000 0.000) 3.776 6.154 ( 3.930 0.000 0.000) 3.930 6.182 ( 0.980 0.000 0.000) 0.980 6.209 ( 5.756 0.000 0.000) 5.756 6.546 ( -14.706 -0.000 0.000) 14.706 6.853 ( -1.608 -0.000 0.000) 1.608 6.992 ( -0.139 -0.000 0.000) 0.139 7.010 ( 5.325 0.000 0.000) 5.325 7.051 ( -8.670 -0.000 0.000) 8.670 7.205 ( 5.003 0.000 0.000) 5.003 7.476 ( 9.120 0.000 0.000) 9.120 7.539 ( -0.146 -0.000 0.000) 0.146 7.633 ( 4.840 0.000 0.000) 4.840 8.011 ( 5.425 0.000 0.000) 5.425 8.027 ( -0.860 -0.000 0.000) 0.860 8.071 ( -9.119 -0.000 0.000) 9.119 8.181 ( -11.609 -0.000 0.000) 11.609 8.188 ( 0.823 0.000 0.000) 0.823 8.279 ( -1.390 -0.000 0.000) 1.390 8.480 ( 2.817 0.000 0.000) 2.817 8.497 ( -4.533 -0.000 0.000) 4.533 8.824 ( 0.931 0.000 0.000) 0.931 8.864 ( -4.577 -0.000 0.000) 4.577 8.933 ( -3.399 -0.000 0.000) 3.399 9.228 ( 0.060 0.000 0.000) 0.060 9.291 ( 8.627 0.000 0.000) 8.627 9.481 ( 1.865 0.000 0.000) 1.865 9.668 ( -0.494 -0.000 0.000) 0.494 10.247 ( 0.555 0.000 0.000) 0.555 10.499 ( -0.395 -0.000 0.000) 0.395 10.851 ( 4.796 0.000 0.000) 4.796 11.112 ( -3.329 -0.000 0.000) 3.329 11.568 ( -0.629 -0.000 0.000) 0.629 12.379 ( -6.291 -0.000 0.000) 6.291 12.647 ( 15.291 0.000 0.000) 15.291 13.705 ( 4.088 0.000 0.000) 4.088 13.984 ( -4.304 -0.000 0.000) 4.304 14.154 ( 0.392 0.000 0.000) 0.392 14.165 ( 0.590 0.000 0.000) 0.590 15.804 ( -5.351 -0.000 0.000) 5.351 15.841 ( -1.776 -0.000 0.000) 1.776 15.930 ( -0.202 -0.000 0.000) 0.202 15.934 ( 2.030 0.000 0.000) 2.030 ======================= Grid point 13 (8/93) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 18.464 -16.599 0.000) 24.828 0.863 ( 20.714 -18.254 0.000) 27.610 1.546 ( 41.167 -17.540 0.000) 44.748 2.073 ( 11.241 5.210 0.000) 12.390 2.325 ( 2.433 4.184 0.000) 4.840 2.360 ( 15.084 -9.976 0.000) 18.084 2.797 ( 5.681 11.478 0.000) 12.807 3.010 ( -0.969 7.576 0.000) 7.637 3.164 ( -4.498 -2.459 0.000) 5.126 3.248 ( -4.239 -6.317 0.000) 7.608 3.311 ( -2.415 -2.382 0.000) 3.392 3.519 ( -1.218 -0.944 0.000) 1.541 3.719 ( 8.855 5.728 0.000) 10.546 3.849 ( -7.338 0.319 0.000) 7.345 3.895 ( -8.369 -9.425 0.000) 12.605 4.200 ( -10.249 1.103 0.000) 10.308 4.341 ( -7.940 1.784 0.000) 8.138 4.472 ( -0.366 -3.221 0.000) 3.242 4.571 ( 9.252 1.587 0.000) 9.387 4.739 ( 2.184 -5.396 0.000) 5.821 4.941 ( -7.383 -8.952 0.000) 11.603 4.984 ( -2.417 1.032 0.000) 2.628 5.231 ( 6.929 -4.343 0.000) 8.178 5.493 ( 4.028 2.926 0.000) 4.978 5.521 ( -3.245 1.550 0.000) 3.597 5.584 ( -6.744 5.274 0.000) 8.561 5.724 ( 8.803 -0.991 0.000) 8.858 5.869 ( -2.668 3.987 0.000) 4.798 5.941 ( -3.168 -0.764 0.000) 3.259 5.997 ( -4.675 -0.520 0.000) 4.704 6.154 ( 3.180 2.965 0.000) 4.348 6.190 ( 5.408 0.613 0.000) 5.442 6.313 ( 6.699 -4.912 0.000) 8.307 6.376 ( -8.124 5.035 0.000) 9.558 6.810 ( -1.593 3.998 0.000) 4.304 6.886 ( -8.616 8.096 0.000) 11.823 6.913 ( -0.773 1.371 0.000) 1.574 7.051 ( 5.616 0.315 0.000) 5.625 7.337 ( -0.126 -4.489 0.000) 4.490 7.453 ( -2.468 9.242 0.000) 9.566 7.608 ( 8.450 -3.686 0.000) 9.219 7.678 ( 6.530 0.974 0.000) 6.603 7.907 ( -0.971 11.531 0.000) 11.572 7.940 ( -9.536 0.884 0.000) 9.577 8.035 ( -1.765 2.217 0.000) 2.834 8.061 ( -6.979 10.073 0.000) 12.254 8.173 ( 5.437 -3.624 0.000) 6.534 8.175 ( -1.655 3.494 0.000) 3.867 8.475 ( 0.345 1.649 0.000) 1.684 8.613 ( 0.026 -7.856 0.000) 7.856 8.631 ( 8.368 7.707 0.000) 11.376 8.867 ( -3.958 -1.756 0.000) 4.330 8.908 ( -3.058 -0.962 0.000) 3.206 9.230 ( -1.692 -0.374 0.000) 1.733 9.294 ( 4.987 3.293 0.000) 5.976 9.679 ( 0.284 -1.701 0.000) 1.725 9.694 ( 4.017 -14.797 0.000) 15.333 10.346 ( -2.048 -5.739 0.000) 6.094 10.520 ( -0.508 -2.822 0.000) 2.868 10.873 ( 5.535 2.590 0.000) 6.111 11.192 ( -12.165 -9.383 0.000) 15.363 11.544 ( -0.166 2.383 0.000) 2.389 12.287 ( -4.924 2.399 0.000) 5.477 12.872 ( 15.491 -6.257 0.000) 16.707 13.763 ( 5.852 -1.713 0.000) 6.097 13.928 ( -4.769 1.136 0.000) 4.902 14.136 ( 0.839 0.053 0.000) 0.841 14.254 ( 2.231 -6.296 0.000) 6.680 15.690 ( -7.291 6.042 0.000) 9.469 15.717 ( 1.852 9.454 0.000) 9.633 15.935 ( 2.701 -0.644 0.000) 2.777 15.962 ( -2.194 -0.988 0.000) 2.406 ======================= Grid point 14 (9/93) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 14.929 -16.999 0.000) 22.624 1.392 ( 17.481 -20.720 0.000) 27.109 2.082 ( 8.235 2.895 0.000) 8.729 2.233 ( 32.307 -18.162 0.000) 37.062 2.255 ( 3.644 5.286 0.000) 6.420 2.644 ( 11.220 -6.322 0.000) 12.878 2.664 ( 6.828 10.014 0.000) 12.121 2.918 ( 6.020 6.379 0.000) 8.771 3.170 ( -4.661 -2.972 0.000) 5.528 3.263 ( -7.852 -1.217 0.000) 7.945 3.329 ( -4.647 -4.342 0.000) 6.360 3.558 ( 1.131 -3.554 0.000) 3.730 3.659 ( 9.089 9.490 0.000) 13.140 3.790 ( -7.242 -1.104 0.000) 7.325 3.943 ( -14.071 -6.951 0.000) 15.694 4.034 ( -10.196 4.705 0.000) 11.229 4.246 ( -6.532 0.099 0.000) 6.533 4.530 ( -5.771 -6.449 0.000) 8.654 4.630 ( 9.410 1.506 0.000) 9.529 4.885 ( 2.894 -7.047 0.000) 7.618 4.896 ( -4.714 5.579 0.000) 7.304 4.965 ( -5.956 -0.576 0.000) 5.984 5.341 ( 3.824 -1.650 0.000) 4.165 5.375 ( -7.862 8.006 0.000) 11.221 5.473 ( -5.690 1.271 0.000) 5.830 5.534 ( 11.377 0.468 0.000) 11.386 5.770 ( 1.255 4.669 0.000) 4.835 5.803 ( 5.395 0.044 0.000) 5.396 5.885 ( -7.076 1.808 0.000) 7.304 5.961 ( -5.434 -1.599 0.000) 5.664 6.168 ( 3.090 -1.212 0.000) 3.319 6.232 ( 5.762 0.752 0.000) 5.811 6.291 ( 3.006 2.329 0.000) 3.802 6.500 ( 6.000 -6.307 0.000) 8.705 6.673 ( 0.969 8.063 0.000) 8.121 6.702 ( -4.178 4.784 0.000) 6.351 6.894 ( -2.471 0.068 0.000) 2.472 7.107 ( 5.952 -0.293 0.000) 5.960 7.181 ( -6.855 15.236 0.000) 16.707 7.336 ( -4.926 1.997 0.000) 5.316 7.621 ( 1.651 9.936 0.000) 10.072 7.665 ( 1.368 14.237 0.000) 14.303 7.668 ( 6.367 8.974 0.000) 11.003 7.882 ( -4.816 -2.602 0.000) 5.474 7.908 ( -7.480 -3.672 0.000) 8.333 7.958 ( -6.035 -0.413 0.000) 6.049 8.156 ( -2.198 -0.767 0.000) 2.328 8.322 ( 7.154 -5.503 0.000) 9.026 8.460 ( 7.419 3.027 0.000) 8.013 8.675 ( 1.352 -4.274 0.000) 4.483 8.707 ( -2.329 -4.786 0.000) 5.323 8.881 ( -1.350 -2.329 0.000) 2.692 8.906 ( -1.980 -1.041 0.000) 2.237 9.201 ( -3.771 0.456 0.000) 3.799 9.311 ( 4.969 -0.070 0.000) 4.970 9.732 ( 1.680 -2.821 0.000) 3.284 9.986 ( 3.118 -13.924 0.000) 14.269 10.399 ( -1.492 -2.533 0.000) 2.940 10.588 ( -0.394 -5.364 0.000) 5.378 10.870 ( 5.739 3.621 0.000) 6.786 11.181 ( -12.475 -3.407 0.000) 12.932 11.482 ( 0.211 4.736 0.000) 4.740 12.216 ( -4.559 0.703 0.000) 4.613 13.108 ( 13.056 -4.623 0.000) 13.851 13.867 ( -4.361 0.805 0.000) 4.435 13.890 ( 8.355 -5.577 0.000) 10.045 14.160 ( 1.186 -1.427 0.000) 1.856 14.416 ( 3.613 -8.772 0.000) 9.487 15.467 ( -8.531 10.596 0.000) 13.604 15.563 ( 0.340 9.590 0.000) 9.596 15.944 ( -0.500 -0.316 0.000) 0.591 15.994 ( 0.939 -2.366 0.000) 2.546 ======================= Grid point 15 (10/93) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 12.331 -13.110 0.000) 17.998 1.880 ( 13.923 -15.949 0.000) 21.171 2.093 ( 6.350 3.014 0.000) 7.029 2.204 ( 8.638 6.434 0.000) 10.771 2.639 ( 9.970 2.614 0.000) 10.307 2.730 ( 13.312 -6.751 0.000) 14.926 2.773 ( 9.302 -2.766 0.000) 9.704 2.863 ( 4.537 3.915 0.000) 5.992 3.121 ( -10.597 7.127 0.000) 12.771 3.185 ( -4.389 -4.552 0.000) 6.324 3.400 ( -4.517 -7.970 0.000) 9.161 3.591 ( 6.926 8.680 0.000) 11.105 3.629 ( -1.324 -1.466 0.000) 1.975 3.725 ( -3.332 0.489 0.000) 3.367 3.881 ( -13.550 -3.392 0.000) 13.968 3.958 ( -3.880 -4.897 0.000) 6.248 4.228 ( -4.469 -2.982 0.000) 5.373 4.602 ( -11.142 -11.616 0.000) 16.096 4.672 ( 1.393 2.957 0.000) 3.269 4.721 ( 0.132 7.953 0.000) 7.954 4.885 ( 0.093 4.971 0.000) 4.972 4.987 ( -0.464 -2.806 0.000) 2.844 5.169 ( -10.189 3.847 0.000) 10.891 5.400 ( -4.669 2.201 0.000) 5.162 5.407 ( 5.706 -1.398 0.000) 5.875 5.580 ( 2.521 3.833 0.000) 4.588 5.712 ( 1.033 3.643 0.000) 3.787 5.830 ( -3.117 -2.966 0.000) 4.302 5.854 ( 5.549 -1.015 0.000) 5.641 6.003 ( -0.472 -6.835 0.000) 6.852 6.177 ( 2.153 8.756 0.000) 9.017 6.270 ( 5.462 0.766 0.000) 5.515 6.297 ( 3.575 -1.847 0.000) 4.024 6.386 ( 7.390 18.365 0.000) 19.796 6.609 ( -3.262 1.264 0.000) 3.499 6.777 ( 0.828 1.626 0.000) 1.825 6.850 ( 1.118 4.542 0.000) 4.677 6.919 ( -0.199 -0.455 0.000) 0.496 7.157 ( 1.673 2.088 0.000) 2.675 7.186 ( -7.310 2.777 0.000) 7.820 7.386 ( 2.580 11.887 0.000) 12.163 7.525 ( 1.783 8.703 0.000) 8.884 7.573 ( -0.419 1.949 0.000) 1.994 7.903 ( -5.381 -2.076 0.000) 5.768 7.918 ( -6.177 -3.340 0.000) 7.022 7.934 ( -4.381 -2.755 0.000) 5.175 8.126 ( -1.605 1.900 0.000) 2.487 8.437 ( 0.289 -2.570 0.000) 2.586 8.514 ( 3.557 -2.238 0.000) 4.203 8.757 ( 2.185 -2.945 0.000) 3.667 8.772 ( -0.554 -4.753 0.000) 4.786 8.893 ( -3.086 -0.177 0.000) 3.091 8.923 ( 3.948 -1.381 0.000) 4.182 9.156 ( -3.924 0.207 0.000) 3.930 9.389 ( 7.143 -1.988 0.000) 7.414 9.793 ( 2.126 -1.730 0.000) 2.741 10.223 ( 1.871 -10.139 0.000) 10.310 10.412 ( -2.643 -1.298 0.000) 2.944 10.697 ( 0.118 -7.048 0.000) 7.049 10.859 ( 4.983 3.370 0.000) 6.016 11.105 ( -9.885 -0.645 0.000) 9.906 11.385 ( 0.356 6.465 0.000) 6.474 12.170 ( -5.473 -0.658 0.000) 5.513 13.266 ( 10.820 -0.866 0.000) 10.855 13.821 ( -3.998 -0.047 0.000) 3.998 14.115 ( 9.777 -9.862 0.000) 13.887 14.198 ( 1.471 -1.325 0.000) 1.980 14.619 ( 4.827 -9.625 0.000) 10.768 15.171 ( -9.515 13.236 0.000) 16.301 15.384 ( -1.626 10.072 0.000) 10.202 15.955 ( -0.199 -1.223 0.000) 1.240 16.041 ( 0.699 -1.987 0.000) 2.107 ======================= Grid point 16 (11/93) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 5.923 -1.447 0.000) 6.097 2.007 ( 7.236 7.521 0.000) 10.436 2.128 ( 8.288 -0.369 0.000) 8.296 2.395 ( 11.562 -11.023 0.000) 15.974 2.580 ( 3.193 10.941 0.000) 11.398 2.743 ( -2.955 1.396 0.000) 3.268 2.871 ( -7.149 8.866 0.000) 11.389 2.872 ( 1.998 3.444 0.000) 3.981 2.989 ( 5.769 -9.688 0.000) 11.275 3.323 ( 6.064 -8.052 0.000) 10.080 3.418 ( -2.927 11.800 0.000) 12.157 3.481 ( -9.956 -9.715 0.000) 13.911 3.579 ( -0.922 1.813 0.000) 2.034 3.726 ( -3.176 -1.288 0.000) 3.427 3.879 ( -2.162 -4.213 0.000) 4.735 4.061 ( 0.442 -4.466 0.000) 4.488 4.234 ( -5.231 -2.301 0.000) 5.715 4.542 ( -0.864 4.542 0.000) 4.623 4.664 ( 0.146 4.702 0.000) 4.704 4.755 ( -11.988 -18.257 0.000) 21.841 4.826 ( 5.938 5.660 0.000) 8.204 5.000 ( -3.785 -2.155 0.000) 4.355 5.091 ( -6.742 -4.003 0.000) 7.841 5.328 ( -4.182 -0.938 0.000) 4.286 5.441 ( -1.251 2.430 0.000) 2.733 5.549 ( 5.264 0.074 0.000) 5.264 5.704 ( 5.694 1.380 0.000) 5.858 5.894 ( 3.027 2.522 0.000) 3.940 5.895 ( -2.485 -5.956 0.000) 6.454 5.953 ( 0.241 13.214 0.000) 13.217 6.087 ( 9.714 21.693 0.000) 23.769 6.130 ( -0.567 -5.117 0.000) 5.148 6.333 ( 8.950 0.049 0.000) 8.950 6.384 ( 1.674 -2.106 0.000) 2.690 6.540 ( -3.737 2.342 0.000) 4.411 6.663 ( -2.253 2.166 0.000) 3.126 6.754 ( 4.103 8.325 0.000) 9.281 6.985 ( 0.651 3.205 0.000) 3.271 7.070 ( -5.976 -1.288 0.000) 6.114 7.203 ( 3.794 1.186 0.000) 3.975 7.269 ( -0.174 2.002 0.000) 2.009 7.495 ( 1.115 -2.534 0.000) 2.768 7.553 ( 1.425 1.262 0.000) 1.903 7.830 ( -9.365 -1.026 0.000) 9.421 7.906 ( -7.404 -2.717 0.000) 7.887 7.963 ( 1.007 -1.140 0.000) 1.521 8.087 ( 0.240 1.313 0.000) 1.334 8.438 ( -5.812 -0.848 0.000) 5.874 8.547 ( -3.528 -1.036 0.000) 3.678 8.819 ( 3.563 -1.278 0.000) 3.785 8.845 ( -3.358 -1.586 0.000) 3.714 8.878 ( 1.948 -2.376 0.000) 3.073 9.005 ( 9.292 -0.353 0.000) 9.299 9.131 ( -3.403 -1.527 0.000) 3.730 9.489 ( 9.021 0.128 0.000) 9.022 9.825 ( 1.710 0.251 0.000) 1.729 10.371 ( 1.113 -4.809 0.000) 4.936 10.403 ( -3.562 -1.724 0.000) 3.958 10.825 ( -1.275 3.480 0.000) 3.706 10.827 ( 1.026 -6.629 0.000) 6.708 11.059 ( -2.544 -1.992 0.000) 3.230 11.271 ( 0.267 6.314 0.000) 6.320 12.133 ( -6.760 -1.519 0.000) 6.928 13.354 ( 10.545 1.872 0.000) 10.710 13.794 ( -3.732 -0.919 0.000) 3.843 14.227 ( 1.278 -0.294 0.000) 1.311 14.380 ( 7.153 -8.815 0.000) 11.352 14.828 ( 5.673 -7.625 0.000) 9.504 14.851 ( -9.124 11.076 0.000) 14.350 15.190 ( -2.977 8.625 0.000) 9.124 15.977 ( 0.082 -1.111 0.000) 1.114 16.073 ( 0.348 -1.086 0.000) 1.140 ======================= Grid point 17 (12/93) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -2.259 8.014 0.000) 8.326 1.959 ( 5.908 4.039 0.000) 7.157 2.205 ( 9.878 2.945 0.000) 10.308 2.348 ( -5.190 13.606 0.000) 14.563 2.426 ( -5.977 8.382 0.000) 10.294 2.669 ( -7.878 0.780 0.000) 7.916 2.792 ( -2.652 4.534 0.000) 5.252 2.902 ( 5.837 -6.582 0.000) 8.797 3.109 ( 3.844 1.659 0.000) 4.187 3.266 ( -2.303 -1.236 0.000) 2.613 3.330 ( 0.055 5.559 0.000) 5.560 3.550 ( -0.854 2.048 0.000) 2.219 3.739 ( -2.036 -7.199 0.000) 7.481 3.750 ( 2.746 -15.461 0.000) 15.703 3.974 ( 4.175 -5.769 0.000) 7.121 4.047 ( -1.673 1.927 0.000) 2.552 4.209 ( -6.473 -1.507 0.000) 6.646 4.512 ( -0.655 0.696 0.000) 0.956 4.574 ( -2.293 2.590 0.000) 3.459 4.717 ( 1.411 11.089 0.000) 11.178 4.941 ( -1.927 -5.745 0.000) 6.060 5.063 ( -10.550 -15.286 0.000) 18.574 5.203 ( -0.392 -12.540 0.000) 12.546 5.360 ( -2.293 3.621 0.000) 4.286 5.397 ( 2.569 -6.612 0.000) 7.093 5.616 ( 7.144 2.534 0.000) 7.580 5.647 ( 1.049 8.464 0.000) 8.528 5.762 ( 3.024 9.003 0.000) 9.497 5.840 ( 1.613 0.644 0.000) 1.737 5.934 ( 4.570 5.802 0.000) 7.386 6.040 ( 6.206 -8.748 0.000) 10.726 6.162 ( -2.701 -1.279 0.000) 2.988 6.295 ( -7.904 5.567 0.000) 9.668 6.364 ( 8.252 7.408 0.000) 11.089 6.577 ( 2.855 -3.719 0.000) 4.688 6.668 ( 0.881 2.745 0.000) 2.883 6.684 ( 3.338 -2.865 0.000) 4.399 6.896 ( -5.109 1.904 0.000) 5.453 7.026 ( -4.463 0.984 0.000) 4.570 7.212 ( 1.812 0.766 0.000) 1.967 7.309 ( 4.152 -2.972 0.000) 5.106 7.425 ( -8.474 5.362 0.000) 10.028 7.547 ( 1.675 1.304 0.000) 2.123 7.880 ( -8.981 -3.218 0.000) 9.540 7.907 ( 0.359 -9.109 0.000) 9.116 7.995 ( 3.245 -1.473 0.000) 3.564 8.081 ( 0.965 0.279 0.000) 1.005 8.374 ( -8.452 0.015 0.000) 8.452 8.487 ( -5.640 2.454 0.000) 6.150 8.801 ( -3.737 1.196 0.000) 3.924 8.878 ( 5.485 -0.567 0.000) 5.514 8.959 ( 3.765 -1.843 0.000) 4.192 9.084 ( 8.341 1.234 0.000) 8.432 9.157 ( -1.473 -4.147 0.000) 4.401 9.525 ( 8.020 5.407 0.000) 9.672 9.816 ( 0.624 1.897 0.000) 1.997 10.387 ( -1.169 -0.150 0.000) 1.178 10.450 ( 0.362 -2.557 0.000) 2.583 10.711 ( -7.339 3.968 0.000) 8.343 10.909 ( 1.872 0.382 0.000) 1.910 11.132 ( 3.143 -5.288 0.000) 6.152 11.206 ( 0.204 -0.227 0.000) 0.305 12.097 ( -7.551 -2.179 0.000) 7.860 13.406 ( 11.571 4.045 0.000) 12.258 13.783 ( -3.548 -1.727 0.000) 3.946 14.231 ( 0.824 0.891 0.000) 1.214 14.325 ( -9.758 12.931 0.000) 16.200 14.839 ( 3.857 -11.701 0.000) 12.320 14.870 ( 0.802 8.847 0.000) 8.883 15.145 ( 1.142 -6.879 0.000) 6.973 15.991 ( 0.331 -0.201 0.000) 0.387 16.083 ( 0.149 0.222 0.000) 0.268 ======================= Grid point 18 (13/93) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -8.470 15.019 0.000) 17.243 1.926 ( -1.307 12.924 0.000) 12.990 2.041 ( -2.065 5.962 0.000) 6.309 2.221 ( 9.977 5.582 0.000) 11.432 2.264 ( -8.639 0.834 0.000) 8.679 2.517 ( -8.197 9.931 0.000) 12.877 2.659 ( -7.189 5.950 0.000) 9.332 2.865 ( 0.861 5.645 0.000) 5.711 3.249 ( -8.103 -0.849 0.000) 8.148 3.256 ( 0.554 2.871 0.000) 2.924 3.314 ( 11.078 -9.951 0.000) 14.891 3.488 ( -2.529 3.276 0.000) 4.139 3.706 ( -0.677 2.754 0.000) 2.836 4.050 ( 12.678 0.573 0.000) 12.691 4.091 ( 0.871 -7.701 0.000) 7.750 4.134 ( 1.082 -6.709 0.000) 6.796 4.195 ( -0.067 -2.717 0.000) 2.718 4.447 ( -5.315 5.195 0.000) 7.433 4.554 ( -7.939 -6.308 0.000) 10.139 4.643 ( 1.899 -9.347 0.000) 9.538 4.965 ( 1.491 1.966 0.000) 2.468 5.185 ( -1.134 -2.617 0.000) 2.852 5.283 ( -4.096 2.066 0.000) 4.587 5.449 ( 7.223 -8.049 0.000) 10.815 5.484 ( 2.027 12.299 0.000) 12.465 5.524 ( 2.460 1.053 0.000) 2.676 5.591 ( 2.446 -7.816 0.000) 8.189 5.810 ( -1.889 -1.025 0.000) 2.149 5.861 ( -0.534 -3.342 0.000) 3.384 5.957 ( 3.657 -11.911 0.000) 12.460 6.110 ( -8.110 5.501 0.000) 9.799 6.147 ( -2.484 -0.065 0.000) 2.485 6.247 ( 9.087 -0.135 0.000) 9.088 6.262 ( 5.991 9.962 0.000) 11.625 6.649 ( -2.256 -10.270 0.000) 10.514 6.729 ( -4.634 5.149 0.000) 6.927 6.743 ( 3.407 -6.374 0.000) 7.228 6.852 ( 0.285 -5.994 0.000) 6.001 6.971 ( -4.574 0.299 0.000) 4.583 7.198 ( 2.247 2.877 0.000) 3.651 7.311 ( -5.842 -2.133 0.000) 6.219 7.397 ( 2.777 -1.809 0.000) 3.315 7.531 ( -1.073 1.061 0.000) 1.509 7.862 ( -8.078 -4.463 0.000) 9.229 7.975 ( 0.960 -0.570 0.000) 1.117 8.077 ( -0.024 -0.770 0.000) 0.771 8.141 ( 4.893 -4.949 0.000) 6.959 8.291 ( -7.450 0.708 0.000) 7.484 8.379 ( -2.914 4.615 0.000) 5.457 8.753 ( -2.347 0.438 0.000) 2.387 8.923 ( 4.862 1.820 0.000) 5.191 9.002 ( 2.392 0.239 0.000) 2.404 9.116 ( 5.815 2.352 0.000) 6.273 9.236 ( 1.685 -4.071 0.000) 4.406 9.450 ( 4.450 9.276 0.000) 10.288 9.773 ( -0.761 2.761 0.000) 2.864 10.345 ( 0.944 6.253 0.000) 6.324 10.476 ( 0.159 0.939 0.000) 0.953 10.604 ( -7.932 -2.438 0.000) 8.298 10.844 ( 1.366 7.242 0.000) 7.369 11.281 ( 4.898 -6.959 0.000) 8.510 11.284 ( 0.963 -6.431 0.000) 6.503 12.073 ( -6.966 -3.052 0.000) 7.605 13.418 ( 12.757 8.345 0.000) 15.244 13.788 ( -3.306 -2.485 0.000) 4.136 13.968 ( -14.028 12.313 0.000) 18.665 14.214 ( 0.573 1.593 0.000) 1.693 14.670 ( -1.807 11.409 0.000) 11.551 15.123 ( 4.172 -14.668 0.000) 15.250 15.313 ( 2.467 -8.295 0.000) 8.654 15.991 ( 0.630 0.646 0.000) 0.902 16.068 ( 0.063 1.613 0.000) 1.615 ======================= Grid point 19 (14/93) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -8.912 19.415 0.000) 21.362 1.504 ( -4.120 25.133 0.000) 25.468 2.098 ( -4.274 24.172 0.000) 24.547 2.113 ( 3.036 -7.604 0.000) 8.188 2.220 ( 8.494 11.479 0.000) 14.280 2.238 ( -7.962 -5.700 0.000) 9.792 2.447 ( -11.672 7.839 0.000) 14.060 2.841 ( 2.819 -1.256 0.000) 3.086 3.182 ( -7.537 -1.391 0.000) 7.664 3.230 ( -0.138 0.413 0.000) 0.436 3.423 ( -0.504 1.233 0.000) 1.332 3.539 ( 5.720 -5.550 0.000) 7.970 3.639 ( 0.882 6.481 0.000) 6.540 4.107 ( 8.911 2.534 0.000) 9.265 4.186 ( 4.133 -2.498 0.000) 4.830 4.188 ( -2.939 -4.595 0.000) 5.454 4.281 ( -9.636 1.592 0.000) 9.767 4.319 ( 5.317 -3.804 0.000) 6.538 4.783 ( -1.647 -18.582 0.000) 18.654 4.855 ( 2.142 12.825 0.000) 13.003 4.908 ( 1.987 -16.009 0.000) 16.132 5.163 ( 5.863 12.784 0.000) 14.065 5.234 ( -1.606 -4.580 0.000) 4.854 5.288 ( -7.146 5.225 0.000) 8.852 5.470 ( 1.081 2.924 0.000) 3.117 5.628 ( 4.053 -5.403 0.000) 6.755 5.735 ( -1.814 4.997 0.000) 5.316 5.786 ( 8.303 -1.585 0.000) 8.453 5.968 ( -6.965 -0.364 0.000) 6.975 5.999 ( 0.097 -13.217 0.000) 13.218 6.122 ( -1.609 0.380 0.000) 1.654 6.162 ( 3.688 6.057 0.000) 7.091 6.200 ( 0.716 7.246 0.000) 7.281 6.339 ( 1.576 -23.483 0.000) 23.536 6.508 ( -5.517 10.032 0.000) 11.449 6.818 ( 2.391 -4.987 0.000) 5.530 6.915 ( -3.876 0.209 0.000) 3.882 7.017 ( 4.755 -17.656 0.000) 18.285 7.060 ( 2.598 -13.277 0.000) 13.529 7.164 ( 0.938 1.984 0.000) 2.194 7.351 ( -4.006 -6.094 0.000) 7.292 7.398 ( -2.475 1.160 0.000) 2.734 7.477 ( -6.523 1.159 0.000) 6.625 7.900 ( -2.501 -5.107 0.000) 5.687 7.995 ( 1.958 -0.378 0.000) 1.994 8.083 ( 0.074 -0.391 0.000) 0.398 8.209 ( 1.638 1.089 0.000) 1.967 8.215 ( -3.861 2.086 0.000) 4.388 8.291 ( 0.109 3.279 0.000) 3.281 8.756 ( -0.446 -1.980 0.000) 2.030 8.879 ( 2.080 6.996 0.000) 7.299 8.992 ( 1.089 2.855 0.000) 3.056 9.131 ( 5.032 1.336 0.000) 5.206 9.302 ( -0.172 9.436 0.000) 9.437 9.308 ( 2.226 -1.465 0.000) 2.665 9.716 ( -1.184 2.338 0.000) 2.621 10.172 ( -0.386 12.838 0.000) 12.844 10.441 ( -0.708 1.353 0.000) 1.527 10.644 ( -2.764 -5.730 0.000) 6.362 10.719 ( 0.589 7.506 0.000) 7.529 11.408 ( 0.953 -6.101 0.000) 6.175 11.453 ( 4.977 -6.898 0.000) 8.506 12.083 ( -4.293 -4.448 0.000) 6.181 13.293 ( 6.771 17.634 0.000) 18.889 13.717 ( -8.293 2.772 0.000) 8.744 13.809 ( -2.594 -3.140 0.000) 4.073 14.191 ( 0.639 1.575 0.000) 1.700 14.459 ( -1.865 10.468 0.000) 10.632 15.408 ( 2.343 -13.952 0.000) 14.148 15.458 ( 1.075 -6.084 0.000) 6.179 15.980 ( 0.430 1.414 0.000) 1.478 16.035 ( 0.324 1.838 0.000) 1.866 ======================= Grid point 20 (15/93) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 0.000 22.114 0.000) 22.114 1.016 ( 0.000 27.751 0.000) 27.751 1.498 ( 0.000 38.074 0.000) 38.074 2.087 ( 0.000 10.841 0.000) 10.841 2.224 ( -0.000 -1.341 0.000) 1.341 2.229 ( 0.000 8.289 0.000) 8.289 2.394 ( -0.000 -17.345 0.000) 17.345 2.947 ( -0.000 -8.210 0.000) 8.210 3.196 ( -0.000 -4.660 0.000) 4.660 3.235 ( -0.000 -0.739 0.000) 0.739 3.412 ( 0.000 2.428 0.000) 2.428 3.537 ( 0.000 2.735 0.000) 2.735 3.595 ( 0.000 1.902 0.000) 1.902 4.048 ( 0.000 5.806 0.000) 5.806 4.255 ( -0.000 -2.492 0.000) 2.492 4.264 ( -0.000 -4.844 0.000) 4.844 4.347 ( -0.000 -10.407 0.000) 10.407 4.351 ( 0.000 5.438 0.000) 5.438 4.624 ( 0.000 11.087 0.000) 11.087 4.919 ( 0.000 14.617 0.000) 14.617 4.983 ( -0.000 -4.598 0.000) 4.598 5.188 ( 0.000 3.970 0.000) 3.970 5.264 ( -0.000 -22.004 0.000) 22.004 5.343 ( -0.000 -7.493 0.000) 7.493 5.414 ( 0.000 3.997 0.000) 3.997 5.633 ( 0.000 4.909 0.000) 4.909 5.767 ( 0.000 2.101 0.000) 2.101 5.786 ( -0.000 -8.735 0.000) 8.735 5.986 ( -0.000 -1.783 0.000) 1.783 6.058 ( 0.000 7.329 0.000) 7.329 6.106 ( 0.000 2.497 0.000) 2.497 6.107 ( 0.000 0.339 0.000) 0.339 6.294 ( -0.000 -16.206 0.000) 16.206 6.314 ( 0.000 8.263 0.000) 8.263 6.755 ( -0.000 -20.810 0.000) 20.810 6.870 ( 0.000 1.351 0.000) 1.351 6.905 ( -0.000 -3.424 0.000) 3.424 7.068 ( 0.000 7.603 0.000) 7.603 7.275 ( 0.000 0.886 0.000) 0.886 7.320 ( -0.000 -13.750 0.000) 13.750 7.407 ( 0.000 1.590 0.000) 1.590 7.430 ( -0.000 -5.283 0.000) 5.283 7.481 ( -0.000 -17.815 0.000) 17.815 7.961 ( -0.000 -2.770 0.000) 2.770 8.025 ( -0.000 -2.150 0.000) 2.150 8.103 ( -0.000 -1.681 0.000) 1.681 8.131 ( 0.000 4.781 0.000) 4.781 8.160 ( 0.000 3.898 0.000) 3.898 8.298 ( -0.000 -3.784 0.000) 3.784 8.740 ( 0.000 9.034 0.000) 9.034 8.763 ( 0.000 3.347 0.000) 3.347 8.943 ( 0.000 1.628 0.000) 1.628 9.124 ( 0.000 8.435 0.000) 8.435 9.169 ( -0.000 -0.909 0.000) 0.909 9.313 ( 0.000 2.151 0.000) 2.151 9.682 ( 0.000 0.837 0.000) 0.837 9.915 ( 0.000 15.798 0.000) 15.798 10.424 ( 0.000 0.432 0.000) 0.432 10.604 ( 0.000 5.653 0.000) 5.653 10.722 ( -0.000 -4.355 0.000) 4.355 11.505 ( -0.000 -4.223 0.000) 4.223 11.594 ( -0.000 -5.446 0.000) 5.446 12.157 ( -0.000 -6.368 0.000) 6.368 12.990 ( 0.000 18.048 0.000) 18.048 13.669 ( 0.000 0.251 0.000) 0.251 13.854 ( -0.000 -3.744 0.000) 3.744 14.172 ( 0.000 1.110 0.000) 1.110 14.277 ( 0.000 8.969 0.000) 8.969 15.545 ( -0.000 -3.641 0.000) 3.641 15.643 ( -0.000 -11.210 0.000) 11.210 15.940 ( 0.000 3.041 0.000) 3.041 16.024 ( -0.000 -0.138 0.000) 0.138 ======================= Grid point 23 (16/93) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 25.164 0.000 0.000) 25.164 0.927 ( 26.359 0.000 0.000) 26.359 1.804 ( 43.076 0.000 0.000) 43.076 2.340 ( 14.027 0.000 0.000) 14.027 2.350 ( 18.623 0.000 0.000) 18.623 2.370 ( -2.418 -0.000 0.000) 2.418 2.948 ( 2.059 0.000 0.000) 2.059 3.031 ( -5.984 -0.000 0.000) 5.984 3.089 ( -5.907 -0.000 0.000) 5.907 3.186 ( 3.983 0.000 0.000) 3.983 3.261 ( -3.964 -0.000 0.000) 3.964 3.486 ( -2.670 -0.000 0.000) 2.670 3.690 ( -2.692 -0.000 0.000) 2.692 3.791 ( -6.662 -0.000 0.000) 6.662 3.927 ( 8.563 0.000 0.000) 8.563 4.106 ( -10.057 -0.000 0.000) 10.057 4.255 ( -11.352 -0.000 0.000) 11.352 4.453 ( -0.464 -0.000 0.000) 0.464 4.666 ( 8.772 0.000 0.000) 8.772 4.715 ( 3.490 0.000 0.000) 3.490 4.835 ( -0.314 -0.000 0.000) 0.314 4.970 ( -2.434 -0.000 0.000) 2.434 5.275 ( 10.804 0.000 0.000) 10.804 5.508 ( -2.630 -0.000 0.000) 2.630 5.541 ( -10.306 -0.000 0.000) 10.306 5.553 ( 4.729 0.000 0.000) 4.729 5.805 ( 9.478 0.000 0.000) 9.478 5.876 ( -4.577 -0.000 0.000) 4.577 5.921 ( -0.652 -0.000 0.000) 0.652 5.948 ( -4.772 -0.000 0.000) 4.772 6.192 ( 0.056 0.000 0.000) 0.056 6.248 ( 5.709 0.000 0.000) 5.709 6.332 ( -7.576 -0.000 0.000) 7.576 6.343 ( 7.936 0.000 0.000) 7.936 6.834 ( -0.260 -0.000 0.000) 0.260 6.849 ( -12.104 -0.000 0.000) 12.104 6.970 ( -2.294 -0.000 0.000) 2.294 7.086 ( 3.616 0.000 0.000) 3.616 7.278 ( 2.757 0.000 0.000) 2.757 7.537 ( -0.000 -0.000 0.000) 0.000 7.647 ( 6.864 0.000 0.000) 6.864 7.693 ( -1.002 -0.000 0.000) 1.002 7.865 ( -10.612 -0.000 0.000) 10.612 7.881 ( -19.736 -0.000 0.000) 19.736 7.994 ( -2.874 -0.000 0.000) 2.874 8.111 ( 2.786 0.000 0.000) 2.786 8.252 ( -1.163 -0.000 0.000) 1.163 8.261 ( 8.427 0.000 0.000) 8.427 8.394 ( -5.781 -0.000 0.000) 5.781 8.548 ( 4.480 0.000 0.000) 4.480 8.794 ( -2.841 -0.000 0.000) 2.841 8.850 ( -5.271 -0.000 0.000) 5.271 8.873 ( 5.344 0.000 0.000) 5.344 9.224 ( -0.515 -0.000 0.000) 0.515 9.460 ( 8.798 0.000 0.000) 8.798 9.536 ( 4.017 0.000 0.000) 4.017 9.658 ( -0.574 -0.000 0.000) 0.574 10.272 ( 2.166 0.000 0.000) 2.166 10.490 ( -0.543 -0.000 0.000) 0.543 10.953 ( 5.389 0.000 0.000) 5.389 11.015 ( -7.124 -0.000 0.000) 7.124 11.568 ( 0.715 0.000 0.000) 0.715 12.229 ( -9.036 -0.000 0.000) 9.036 13.013 ( 22.427 0.000 0.000) 22.427 13.798 ( 5.419 0.000 0.000) 5.419 13.880 ( -6.377 -0.000 0.000) 6.377 14.165 ( 0.693 0.000 0.000) 0.693 14.178 ( 0.721 0.000 0.000) 0.721 15.667 ( -8.969 -0.000 0.000) 8.969 15.808 ( -1.651 -0.000 0.000) 1.651 15.927 ( 0.044 0.000 0.000) 0.044 15.974 ( 2.068 0.000 0.000) 2.068 ======================= Grid point 24 (17/93) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 22.031 -9.350 0.000) 23.932 1.287 ( 23.495 -12.293 0.000) 26.517 2.247 ( 27.314 -3.012 0.000) 27.480 2.310 ( -3.604 0.767 0.000) 3.685 2.375 ( 24.661 1.711 0.000) 24.720 2.639 ( 13.568 -7.180 0.000) 15.351 2.891 ( 3.445 8.067 0.000) 8.772 3.022 ( -0.791 -2.282 0.000) 2.415 3.053 ( -7.734 -2.853 0.000) 8.243 3.189 ( 0.544 2.407 0.000) 2.467 3.223 ( -6.770 -1.420 0.000) 6.917 3.492 ( -2.062 -3.560 0.000) 4.114 3.726 ( -3.816 -3.565 0.000) 5.222 3.734 ( -3.766 0.193 0.000) 3.771 3.914 ( 5.502 7.828 0.000) 9.568 3.994 ( -11.261 1.754 0.000) 11.397 4.155 ( -10.183 -0.720 0.000) 10.209 4.429 ( -4.571 -0.125 0.000) 4.573 4.718 ( 4.964 1.433 0.000) 5.167 4.827 ( 7.181 -6.194 0.000) 9.483 4.880 ( -0.494 -3.339 0.000) 3.375 4.926 ( -3.356 2.415 0.000) 4.134 5.373 ( 8.090 0.899 0.000) 8.139 5.396 ( -10.898 5.130 0.000) 12.045 5.470 ( -2.713 1.056 0.000) 2.911 5.632 ( 10.364 -1.762 0.000) 10.512 5.824 ( -2.223 1.945 0.000) 2.953 5.878 ( 6.989 1.349 0.000) 7.118 5.901 ( -5.223 0.182 0.000) 5.227 5.906 ( -0.342 2.206 0.000) 2.233 6.139 ( -3.070 1.338 0.000) 3.349 6.305 ( 6.442 0.329 0.000) 6.450 6.320 ( 0.773 -2.338 0.000) 2.463 6.444 ( 6.736 -4.435 0.000) 8.065 6.730 ( -7.363 1.119 0.000) 7.447 6.793 ( -0.535 5.702 0.000) 5.727 6.893 ( -0.931 2.363 0.000) 2.539 7.137 ( 3.440 -1.246 0.000) 3.659 7.315 ( -2.857 0.075 0.000) 2.858 7.373 ( -6.811 13.534 0.000) 15.151 7.646 ( -11.142 2.578 0.000) 11.436 7.737 ( -5.577 -6.924 0.000) 8.891 7.748 ( -4.381 -4.617 0.000) 6.365 7.782 ( -1.502 1.271 0.000) 1.967 7.996 ( -2.659 0.570 0.000) 2.719 8.002 ( 0.127 14.064 0.000) 14.064 8.134 ( -1.926 6.841 0.000) 7.107 8.299 ( 2.053 -0.717 0.000) 2.174 8.440 ( 0.448 -5.326 0.000) 5.345 8.625 ( 1.151 -2.723 0.000) 2.956 8.767 ( 2.468 2.018 0.000) 3.188 8.841 ( -3.678 -3.599 0.000) 5.146 8.895 ( 9.576 2.659 0.000) 9.939 9.198 ( -1.554 1.795 0.000) 2.374 9.414 ( 8.045 5.034 0.000) 9.490 9.684 ( 0.188 -3.204 0.000) 3.210 9.779 ( 4.834 -13.407 0.000) 14.252 10.334 ( 0.497 -3.355 0.000) 3.392 10.511 ( -0.402 -2.925 0.000) 2.953 10.951 ( -2.339 0.282 0.000) 2.356 11.012 ( -3.609 -2.481 0.000) 4.380 11.554 ( 1.126 2.675 0.000) 2.902 12.148 ( -8.615 -0.444 0.000) 8.626 13.234 ( 21.269 -0.688 0.000) 21.280 13.820 ( -6.194 -0.028 0.000) 6.195 13.878 ( 6.059 -3.391 0.000) 6.943 14.153 ( 0.959 -0.264 0.000) 0.995 14.282 ( 1.062 -8.063 0.000) 8.133 15.526 ( -9.795 5.789 0.000) 11.377 15.726 ( -0.341 7.237 0.000) 7.245 15.938 ( -0.459 -0.412 0.000) 0.617 15.984 ( 2.383 -0.032 0.000) 2.383 ======================= Grid point 25 (18/93) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 17.928 -12.039 0.000) 21.595 1.743 ( 19.029 -15.920 0.000) 24.811 2.293 ( 13.090 8.490 0.000) 15.602 2.340 ( 5.182 -2.673 0.000) 5.831 2.761 ( 15.369 -5.146 0.000) 16.208 2.768 ( 4.685 8.000 0.000) 9.271 2.815 ( 11.877 -3.597 0.000) 12.410 3.024 ( -11.194 -4.209 0.000) 11.959 3.046 ( 3.662 3.605 0.000) 5.138 3.112 ( -4.807 3.972 0.000) 6.236 3.233 ( -3.750 -6.298 0.000) 7.330 3.578 ( 1.533 -6.098 0.000) 6.288 3.678 ( -13.544 -0.849 0.000) 13.570 3.716 ( -0.797 0.321 0.000) 0.860 3.812 ( 6.115 8.268 0.000) 10.284 3.872 ( -6.206 0.139 0.000) 6.208 4.108 ( -7.108 -2.914 0.000) 7.682 4.391 ( -8.639 -2.896 0.000) 9.112 4.720 ( 0.102 1.606 0.000) 1.610 4.813 ( -4.399 5.364 0.000) 6.937 4.872 ( -6.507 1.301 0.000) 6.635 4.988 ( 7.645 -1.711 0.000) 7.834 5.212 ( -3.888 5.370 0.000) 6.630 5.419 ( 4.132 -1.314 0.000) 4.336 5.434 ( 0.063 2.227 0.000) 2.228 5.680 ( -0.916 5.275 0.000) 5.354 5.719 ( -6.995 4.815 0.000) 8.492 5.861 ( 4.239 2.668 0.000) 5.008 5.907 ( 8.124 -0.580 0.000) 8.144 5.919 ( 3.625 -3.506 0.000) 5.043 6.180 ( 0.641 -5.437 0.000) 5.474 6.343 ( 5.660 1.563 0.000) 5.872 6.374 ( 3.696 0.560 0.000) 3.738 6.603 ( 5.309 -1.532 0.000) 5.526 6.650 ( -2.239 7.447 0.000) 7.776 6.745 ( 5.415 -7.762 0.000) 9.464 6.886 ( 2.048 -0.670 0.000) 2.155 7.014 ( -10.535 16.521 0.000) 19.595 7.156 ( -13.022 6.063 0.000) 14.365 7.192 ( 2.173 -0.765 0.000) 2.303 7.563 ( -4.666 -1.521 0.000) 4.908 7.698 ( -3.837 4.983 0.000) 6.289 7.706 ( 1.608 18.823 0.000) 18.892 7.790 ( -4.779 -3.645 0.000) 6.011 7.831 ( -5.761 1.498 0.000) 5.952 7.862 ( 1.526 0.965 0.000) 1.806 8.097 ( -3.847 -2.385 0.000) 4.526 8.325 ( -5.081 -3.474 0.000) 6.155 8.516 ( 0.381 -2.325 0.000) 2.357 8.671 ( -1.339 -3.866 0.000) 4.092 8.786 ( 5.145 0.149 0.000) 5.148 8.862 ( -2.653 -1.209 0.000) 2.915 8.973 ( 10.555 -0.059 0.000) 10.555 9.146 ( -2.039 1.834 0.000) 2.743 9.466 ( 12.240 0.146 0.000) 12.241 9.759 ( 1.187 -3.982 0.000) 4.155 10.045 ( 2.921 -12.270 0.000) 12.613 10.367 ( -1.985 -1.124 0.000) 2.282 10.585 ( 0.077 -5.659 0.000) 5.659 10.911 ( -7.068 -0.457 0.000) 7.083 11.010 ( -0.608 -0.080 0.000) 0.614 11.495 ( 1.076 5.167 0.000) 5.277 12.084 ( -8.128 -1.119 0.000) 8.205 13.410 ( 17.158 1.371 0.000) 17.212 13.769 ( -5.386 -0.450 0.000) 5.405 14.041 ( 7.677 -7.866 0.000) 10.992 14.184 ( 1.273 -1.748 0.000) 2.162 14.466 ( 1.855 -11.028 0.000) 11.183 15.288 ( -10.213 10.477 0.000) 14.631 15.566 ( 0.082 10.535 0.000) 10.535 15.940 ( 0.087 -0.433 0.000) 0.442 16.019 ( 1.511 -1.423 0.000) 2.076 ======================= Grid point 26 (19/93) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 15.196 -8.451 0.000) 17.388 2.152 ( 14.526 -9.013 0.000) 17.095 2.257 ( 9.949 7.011 0.000) 12.171 2.403 ( 11.800 3.705 0.000) 12.368 2.764 ( -2.201 2.659 0.000) 3.451 2.773 ( 3.715 0.270 0.000) 3.725 2.912 ( -6.317 1.585 0.000) 6.513 2.935 ( -0.937 8.611 0.000) 8.662 2.978 ( -0.798 4.494 0.000) 4.564 3.101 ( -1.181 -11.020 0.000) 11.083 3.332 ( -0.658 -6.591 0.000) 6.624 3.519 ( -13.027 4.306 0.000) 13.720 3.617 ( -0.663 2.404 0.000) 2.494 3.726 ( 3.165 1.224 0.000) 3.394 3.801 ( 4.060 -1.474 0.000) 4.319 3.950 ( 2.455 -8.537 0.000) 8.883 4.108 ( -6.865 -4.199 0.000) 8.047 4.386 ( -11.512 -8.407 0.000) 14.255 4.589 ( -8.767 4.413 0.000) 9.815 4.754 ( 0.518 3.765 0.000) 3.801 4.783 ( -5.672 -2.945 0.000) 6.391 5.002 ( 1.233 3.473 0.000) 3.686 5.152 ( 5.368 4.313 0.000) 6.886 5.332 ( -2.654 7.728 0.000) 8.171 5.469 ( 0.129 1.466 0.000) 1.471 5.598 ( 2.370 0.144 0.000) 2.374 5.661 ( -3.850 -6.121 0.000) 7.232 5.873 ( 4.968 1.739 0.000) 5.263 5.945 ( 2.493 -0.508 0.000) 2.544 6.079 ( 7.944 -2.648 0.000) 8.374 6.194 ( 0.203 9.881 0.000) 9.883 6.371 ( 3.897 -0.615 0.000) 3.945 6.381 ( 6.005 0.155 0.000) 6.007 6.535 ( -4.375 2.251 0.000) 4.920 6.551 ( 7.028 17.536 0.000) 18.892 6.683 ( -5.045 3.502 0.000) 6.141 6.885 ( -7.308 6.194 0.000) 9.579 6.998 ( 5.585 -7.105 0.000) 9.038 7.001 ( 2.519 -4.216 0.000) 4.911 7.236 ( 2.282 -1.037 0.000) 2.506 7.410 ( 0.182 14.964 0.000) 14.965 7.522 ( -1.660 7.460 0.000) 7.643 7.566 ( -1.124 -1.324 0.000) 1.737 7.711 ( -11.636 -0.034 0.000) 11.636 7.781 ( -7.312 -2.018 0.000) 7.586 7.935 ( 1.002 -3.281 0.000) 3.430 8.094 ( -1.767 -0.394 0.000) 1.810 8.316 ( -8.412 -2.670 0.000) 8.825 8.531 ( -1.440 -0.131 0.000) 1.446 8.754 ( -0.856 -6.035 0.000) 6.095 8.842 ( 4.742 -1.030 0.000) 4.852 8.843 ( -2.515 -0.697 0.000) 2.610 9.075 ( 8.557 -0.983 0.000) 8.613 9.101 ( -1.960 1.212 0.000) 2.304 9.610 ( 16.057 -0.244 0.000) 16.059 9.828 ( 1.546 -2.064 0.000) 2.579 10.254 ( 1.386 -9.234 0.000) 9.337 10.345 ( -4.779 -0.430 0.000) 4.798 10.707 ( 0.812 -7.566 0.000) 7.609 10.832 ( -8.500 1.081 0.000) 8.568 11.018 ( 1.499 -0.676 0.000) 1.645 11.397 ( 0.761 6.899 0.000) 6.941 12.033 ( -7.709 -1.472 0.000) 7.849 13.515 ( 13.646 2.719 0.000) 13.914 13.736 ( -4.444 -0.969 0.000) 4.548 14.226 ( 1.283 -1.339 0.000) 1.855 14.281 ( 7.987 -10.257 0.000) 13.000 14.692 ( 2.838 -11.928 0.000) 12.261 14.977 ( -10.748 13.374 0.000) 17.157 15.366 ( -0.369 12.042 0.000) 12.047 15.957 ( 0.234 -1.177 0.000) 1.200 16.055 ( 0.790 -1.379 0.000) 1.589 ======================= Grid point 27 (20/93) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 8.623 9.524 0.000) 12.848 2.187 ( 11.233 11.503 0.000) 16.078 2.309 ( 9.279 -1.945 0.000) 9.481 2.519 ( 0.143 2.938 0.000) 2.941 2.578 ( -2.853 16.264 0.000) 16.512 2.637 ( -7.679 4.719 0.000) 9.013 2.828 ( -4.903 2.005 0.000) 5.297 2.841 ( 4.503 -4.061 0.000) 6.063 3.091 ( 4.301 -6.282 0.000) 7.613 3.302 ( -6.822 -16.022 0.000) 17.414 3.320 ( -5.981 6.862 0.000) 9.103 3.449 ( 5.091 -3.939 0.000) 6.437 3.575 ( -0.853 1.036 0.000) 1.342 3.713 ( 3.254 0.617 0.000) 3.312 3.899 ( 2.633 -5.404 0.000) 6.011 4.005 ( -6.998 0.312 0.000) 7.005 4.106 ( -6.448 -2.572 0.000) 6.942 4.526 ( -10.979 -20.400 0.000) 23.167 4.538 ( 0.707 -1.182 0.000) 1.377 4.662 ( 0.259 6.780 0.000) 6.784 4.881 ( 0.281 -8.797 0.000) 8.801 4.950 ( -1.866 0.912 0.000) 2.077 5.024 ( -1.430 10.274 0.000) 10.373 5.294 ( 0.513 -5.360 0.000) 5.385 5.408 ( -0.918 3.269 0.000) 3.395 5.661 ( 4.988 -0.897 0.000) 5.068 5.822 ( 6.268 -3.516 0.000) 7.187 5.876 ( 0.476 -3.436 0.000) 3.469 5.955 ( -0.275 11.820 0.000) 11.823 5.956 ( 3.556 3.594 0.000) 5.056 6.113 ( -0.356 3.118 0.000) 3.139 6.203 ( 0.686 14.378 0.000) 14.394 6.332 ( -5.428 5.555 0.000) 7.766 6.528 ( 10.108 -0.208 0.000) 10.110 6.547 ( 2.935 -3.889 0.000) 4.872 6.687 ( 5.332 -0.730 0.000) 5.382 6.719 ( -6.499 3.942 0.000) 7.601 6.956 ( -3.076 10.060 0.000) 10.520 7.085 ( 4.733 6.559 0.000) 8.088 7.248 ( 4.143 -1.157 0.000) 4.302 7.283 ( 1.075 -1.077 0.000) 1.521 7.438 ( -6.719 4.536 0.000) 8.107 7.582 ( 0.266 -0.696 0.000) 0.745 7.704 ( -3.378 -11.479 0.000) 11.966 7.730 ( -9.951 -1.586 0.000) 10.077 7.991 ( 1.624 -2.073 0.000) 2.634 8.086 ( -0.399 0.027 0.000) 0.399 8.270 ( -8.228 -1.437 0.000) 8.352 8.497 ( -2.240 1.815 0.000) 2.884 8.781 ( -2.521 0.027 0.000) 2.522 8.907 ( 4.204 -1.442 0.000) 4.444 8.923 ( 2.045 -6.869 0.000) 7.167 9.071 ( -2.724 -0.809 0.000) 2.842 9.156 ( 5.713 -0.347 0.000) 5.723 9.723 ( 13.789 4.791 0.000) 14.598 9.853 ( 1.210 0.709 0.000) 1.402 10.323 ( -4.412 -3.132 0.000) 5.411 10.392 ( 0.921 -5.236 0.000) 5.316 10.715 ( -7.936 3.513 0.000) 8.679 10.854 ( 1.528 -7.336 0.000) 7.493 11.070 ( 1.843 -3.565 0.000) 4.013 11.278 ( 0.338 6.739 0.000) 6.748 11.992 ( -6.690 -1.679 0.000) 6.898 13.582 ( 11.675 2.874 0.000) 12.023 13.720 ( -3.410 -1.436 0.000) 3.700 14.249 ( 0.901 -0.007 0.000) 0.901 14.458 ( 0.670 4.902 0.000) 4.948 14.701 ( -5.587 -0.771 0.000) 5.640 14.922 ( 3.959 -9.797 0.000) 10.566 15.146 ( -1.747 11.139 0.000) 11.275 15.981 ( 0.210 -1.150 0.000) 1.169 16.080 ( 0.335 -0.764 0.000) 0.835 ======================= Grid point 28 (21/93) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -0.151 16.983 0.000) 16.983 2.090 ( 6.667 8.972 0.000) 11.178 2.269 ( -2.366 15.847 0.000) 16.023 2.302 ( -6.356 10.841 0.000) 12.567 2.368 ( 5.064 2.571 0.000) 5.679 2.564 ( -1.109 0.253 0.000) 1.137 2.706 ( -5.443 6.392 0.000) 8.395 2.969 ( 1.974 2.427 0.000) 3.129 3.182 ( -1.149 -1.784 0.000) 2.122 3.251 ( 3.777 -4.764 0.000) 6.080 3.351 ( 1.710 5.276 0.000) 5.546 3.520 ( -2.119 3.231 0.000) 3.863 3.712 ( -0.245 -17.318 0.000) 17.319 3.767 ( -0.770 -3.093 0.000) 3.187 4.010 ( -2.169 -5.548 0.000) 5.957 4.035 ( 0.228 -13.858 0.000) 13.860 4.125 ( 0.021 -4.915 0.000) 4.915 4.483 ( -1.253 11.551 0.000) 11.618 4.567 ( 0.297 -0.764 0.000) 0.820 4.722 ( -0.253 16.151 0.000) 16.153 4.856 ( -5.032 -23.239 0.000) 23.778 4.950 ( -1.550 -2.630 0.000) 3.053 5.205 ( 0.284 -19.523 0.000) 19.525 5.339 ( -0.284 4.449 0.000) 4.458 5.441 ( 1.559 -9.043 0.000) 9.176 5.664 ( 0.460 10.777 0.000) 10.787 5.715 ( 2.268 -2.065 0.000) 3.068 5.815 ( 2.975 15.654 0.000) 15.934 5.876 ( 2.041 2.276 0.000) 3.057 5.987 ( 0.393 4.701 0.000) 4.718 6.128 ( -0.862 0.282 0.000) 0.907 6.147 ( -3.385 3.539 0.000) 4.897 6.192 ( 4.573 -13.936 0.000) 14.667 6.529 ( 8.576 11.458 0.000) 14.312 6.559 ( -3.400 5.370 0.000) 6.356 6.681 ( 0.775 -4.341 0.000) 4.410 6.764 ( -7.380 3.304 0.000) 8.086 6.774 ( 4.077 -2.628 0.000) 4.851 6.970 ( -1.875 4.245 0.000) 4.641 7.273 ( -5.867 4.030 0.000) 7.118 7.302 ( 5.922 1.675 0.000) 6.154 7.364 ( 2.506 -2.057 0.000) 3.243 7.583 ( 1.677 2.556 0.000) 3.057 7.682 ( -10.092 -5.930 0.000) 11.705 7.903 ( -0.323 -8.900 0.000) 8.906 8.058 ( 2.781 -3.124 0.000) 4.182 8.089 ( -0.452 -1.797 0.000) 1.853 8.227 ( -4.744 -0.877 0.000) 4.825 8.433 ( -1.215 3.388 0.000) 3.599 8.751 ( -1.431 1.086 0.000) 1.796 8.963 ( 2.601 -0.989 0.000) 2.783 9.016 ( 1.997 -0.521 0.000) 2.064 9.126 ( -1.414 -8.019 0.000) 8.143 9.187 ( 2.702 1.361 0.000) 3.025 9.679 ( 5.856 10.146 0.000) 11.715 9.827 ( 0.378 2.984 0.000) 3.007 10.383 ( 0.922 -4.828 0.000) 4.915 10.458 ( 0.700 -1.681 0.000) 1.821 10.564 ( -6.814 5.631 0.000) 8.840 10.944 ( 1.308 0.675 0.000) 1.472 11.179 ( 1.464 -7.043 0.000) 7.193 11.210 ( 0.171 -0.758 0.000) 0.777 11.972 ( -4.235 -2.119 0.000) 4.736 13.636 ( 10.236 2.619 0.000) 10.566 13.723 ( -2.045 -1.860 0.000) 2.764 14.127 ( -9.052 19.105 0.000) 21.142 14.244 ( 0.402 1.135 0.000) 1.204 14.883 ( 0.444 13.174 0.000) 13.181 14.895 ( 1.690 -14.313 0.000) 14.413 15.165 ( 0.685 -10.365 0.000) 10.388 15.997 ( 0.206 -0.420 0.000) 0.468 16.086 ( 0.106 0.357 0.000) 0.372 ======================= Grid point 29 (22/93) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 0.000 19.065 0.000) 19.065 1.899 ( 0.000 21.162 0.000) 21.162 2.043 ( 0.000 1.026 0.000) 1.026 2.176 ( 0.000 1.377 0.000) 1.377 2.345 ( 0.000 4.878 0.000) 4.878 2.500 ( 0.000 8.921 0.000) 8.921 2.504 ( 0.000 11.074 0.000) 11.074 2.888 ( 0.000 4.688 0.000) 4.688 3.150 ( 0.000 1.406 0.000) 1.406 3.265 ( 0.000 4.033 0.000) 4.033 3.437 ( -0.000 -9.308 0.000) 9.308 3.456 ( 0.000 2.772 0.000) 2.772 3.709 ( 0.000 1.795 0.000) 1.795 4.060 ( -0.000 -14.080 0.000) 14.080 4.080 ( -0.000 -5.120 0.000) 5.120 4.243 ( 0.000 11.009 0.000) 11.009 4.246 ( -0.000 -6.739 0.000) 6.739 4.393 ( -0.000 -21.583 0.000) 21.583 4.437 ( 0.000 15.157 0.000) 15.157 4.664 ( -0.000 -11.192 0.000) 11.192 4.978 ( -0.000 -0.229 0.000) 0.229 5.156 ( -0.000 -10.862 0.000) 10.862 5.240 ( 0.000 5.574 0.000) 5.574 5.515 ( -0.000 -11.488 0.000) 11.488 5.524 ( 0.000 17.778 0.000) 17.778 5.534 ( 0.000 4.696 0.000) 4.696 5.646 ( -0.000 -15.737 0.000) 15.737 5.790 ( -0.000 -0.602 0.000) 0.602 5.886 ( -0.000 -2.207 0.000) 2.207 5.977 ( 0.000 8.277 0.000) 8.277 5.997 ( -0.000 -10.629 0.000) 10.629 6.122 ( 0.000 0.085 0.000) 0.085 6.342 ( 0.000 11.831 0.000) 11.831 6.378 ( 0.000 10.045 0.000) 10.045 6.597 ( -0.000 -21.431 0.000) 21.431 6.645 ( 0.000 7.757 0.000) 7.757 6.776 ( -0.000 -5.938 0.000) 5.938 6.879 ( -0.000 -8.151 0.000) 8.151 6.917 ( 0.000 1.251 0.000) 1.251 7.245 ( -0.000 -3.343 0.000) 3.343 7.297 ( 0.000 5.570 0.000) 5.570 7.358 ( -0.000 -1.019 0.000) 1.019 7.522 ( 0.000 4.307 0.000) 4.307 7.772 ( -0.000 -7.606 0.000) 7.606 7.985 ( -0.000 -2.033 0.000) 2.033 8.077 ( -0.000 -0.106 0.000) 0.106 8.188 ( -0.000 -4.920 0.000) 4.920 8.213 ( 0.000 0.132 0.000) 0.132 8.361 ( 0.000 4.140 0.000) 4.140 8.730 ( -0.000 -0.010 0.000) 0.010 8.972 ( 0.000 2.026 0.000) 2.026 9.024 ( 0.000 0.397 0.000) 0.397 9.167 ( 0.000 1.681 0.000) 1.681 9.252 ( -0.000 -5.890 0.000) 5.890 9.507 ( 0.000 11.832 0.000) 11.832 9.766 ( 0.000 3.709 0.000) 3.709 10.375 ( 0.000 10.149 0.000) 10.149 10.457 ( 0.000 0.650 0.000) 0.650 10.520 ( -0.000 -6.495 0.000) 6.495 10.860 ( 0.000 7.615 0.000) 7.615 11.296 ( -0.000 -6.812 0.000) 6.812 11.330 ( -0.000 -8.683 0.000) 8.683 11.996 ( -0.000 -3.100 0.000) 3.100 13.680 ( 0.000 0.453 0.000) 0.453 13.700 ( 0.000 21.618 0.000) 21.618 13.749 ( -0.000 -2.336 0.000) 2.336 14.221 ( 0.000 1.543 0.000) 1.543 14.655 ( 0.000 12.496 0.000) 12.496 15.163 ( -0.000 -14.932 0.000) 14.932 15.337 ( -0.000 -8.445 0.000) 8.445 15.998 ( 0.000 0.433 0.000) 0.433 16.069 ( 0.000 1.613 0.000) 1.613 ======================= Grid point 34 (23/93) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 25.409 0.000 0.000) 25.409 1.408 ( 24.229 0.000 0.000) 24.229 2.233 ( -10.398 -0.000 0.000) 10.398 2.499 ( 27.446 0.000 0.000) 27.446 2.637 ( 19.593 0.000 0.000) 19.593 2.666 ( 13.584 0.000 0.000) 13.584 2.946 ( -3.046 -0.000 0.000) 3.046 2.948 ( -8.925 -0.000 0.000) 8.925 2.974 ( 0.360 0.000 0.000) 0.360 3.146 ( -7.501 -0.000 0.000) 7.501 3.272 ( 4.824 0.000 0.000) 4.824 3.417 ( -5.073 -0.000 0.000) 5.073 3.708 ( 1.216 0.000 0.000) 1.216 3.719 ( 0.173 0.000 0.000) 0.173 3.895 ( -11.762 -0.000 0.000) 11.762 4.017 ( 1.044 0.000 0.000) 1.044 4.058 ( -7.146 -0.000 0.000) 7.146 4.410 ( -3.761 -0.000 0.000) 3.761 4.775 ( 0.528 0.000 0.000) 0.528 4.816 ( 7.375 0.000 0.000) 7.375 4.842 ( 0.692 0.000 0.000) 0.692 4.925 ( -1.858 -0.000 0.000) 1.858 5.389 ( -3.175 -0.000 0.000) 3.175 5.423 ( -6.330 -0.000 0.000) 6.330 5.524 ( 14.618 0.000 0.000) 14.618 5.679 ( 8.038 0.000 0.000) 8.038 5.834 ( 0.915 0.000 0.000) 0.915 5.861 ( -3.926 -0.000 0.000) 3.926 5.892 ( -2.316 -0.000 0.000) 2.316 5.961 ( 6.794 0.000 0.000) 6.794 6.191 ( -0.036 -0.000 0.000) 0.036 6.241 ( -2.867 -0.000 0.000) 2.867 6.349 ( 4.268 0.000 0.000) 4.268 6.485 ( 6.665 0.000 0.000) 6.665 6.629 ( -10.257 -0.000 0.000) 10.257 6.835 ( -0.168 -0.000 0.000) 0.168 6.915 ( -3.064 -0.000 0.000) 3.064 7.151 ( 3.200 0.000 0.000) 3.200 7.317 ( 1.627 0.000 0.000) 1.627 7.477 ( -22.259 -0.000 0.000) 22.259 7.493 ( -16.663 -0.000 0.000) 16.663 7.542 ( 0.702 0.000 0.000) 0.702 7.709 ( 0.186 0.000 0.000) 0.186 7.783 ( -1.186 -0.000 0.000) 1.186 7.918 ( -5.023 -0.000 0.000) 5.023 8.130 ( 0.283 0.000 0.000) 0.283 8.244 ( 0.392 0.000 0.000) 0.392 8.300 ( -4.053 -0.000 0.000) 4.053 8.410 ( 5.125 0.000 0.000) 5.125 8.643 ( 5.262 0.000 0.000) 5.262 8.745 ( -5.625 -0.000 0.000) 5.625 8.754 ( -1.556 -0.000 0.000) 1.556 9.054 ( 13.062 0.000 0.000) 13.062 9.209 ( -0.926 -0.000 0.000) 0.926 9.607 ( 6.686 0.000 0.000) 6.686 9.640 ( 7.618 0.000 0.000) 7.618 9.648 ( -0.531 -0.000 0.000) 0.531 10.323 ( 3.038 0.000 0.000) 3.038 10.480 ( -0.433 -0.000 0.000) 0.433 10.844 ( -11.072 -0.000 0.000) 11.072 11.038 ( 3.474 0.000 0.000) 3.474 11.591 ( 1.493 0.000 0.000) 1.493 12.063 ( -8.184 -0.000 0.000) 8.184 13.439 ( 21.940 0.000 0.000) 21.940 13.762 ( -5.859 -0.000 0.000) 5.859 13.894 ( 4.501 0.000 0.000) 4.501 14.179 ( 0.765 0.000 0.000) 0.765 14.191 ( 0.671 0.000 0.000) 0.671 15.484 ( -10.093 -0.000 0.000) 10.093 15.781 ( -1.244 -0.000 0.000) 1.244 15.932 ( 0.395 0.000 0.000) 0.395 16.009 ( 1.670 0.000 0.000) 1.670 ======================= Grid point 35 (24/93) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 23.229 -4.510 0.000) 23.663 1.704 ( 19.885 -9.044 0.000) 21.845 2.216 ( -5.744 -8.698 0.000) 10.424 2.583 ( 13.407 8.581 0.000) 15.917 2.805 ( 5.057 -2.462 0.000) 5.624 2.858 ( -11.129 -0.705 0.000) 11.151 2.890 ( 16.565 -3.397 0.000) 16.909 2.927 ( 0.343 4.002 0.000) 4.016 2.966 ( -2.274 -2.543 0.000) 3.412 3.122 ( -0.473 -3.807 0.000) 3.837 3.265 ( 5.408 5.573 0.000) 7.766 3.445 ( -1.181 -8.088 0.000) 8.174 3.638 ( -7.851 4.899 0.000) 9.254 3.722 ( -0.723 1.100 0.000) 1.316 3.810 ( -5.290 -1.461 0.000) 5.489 3.969 ( 0.666 5.086 0.000) 5.129 4.033 ( -1.223 -0.297 0.000) 1.258 4.321 ( -6.349 3.056 0.000) 7.046 4.729 ( -5.978 1.337 0.000) 6.125 4.838 ( -3.266 2.408 0.000) 4.058 4.873 ( -1.503 3.428 0.000) 3.743 4.997 ( 10.475 -8.314 0.000) 13.373 5.277 ( -1.681 5.109 0.000) 5.379 5.438 ( 1.148 -1.148 0.000) 1.624 5.521 ( 7.122 8.441 0.000) 11.044 5.716 ( -6.560 3.644 0.000) 7.504 5.800 ( -0.579 6.307 0.000) 6.333 5.901 ( -0.592 -1.730 0.000) 1.828 5.938 ( 13.614 -5.774 0.000) 14.787 5.984 ( 4.532 2.624 0.000) 5.237 6.122 ( 1.792 -0.027 0.000) 1.792 6.328 ( -0.590 -6.021 0.000) 6.050 6.415 ( 4.932 -0.621 0.000) 4.971 6.539 ( 2.306 -6.223 0.000) 6.637 6.631 ( -2.652 -5.360 0.000) 5.981 6.773 ( -1.969 6.213 0.000) 6.517 6.889 ( 0.496 -0.381 0.000) 0.625 7.153 ( -12.518 7.238 0.000) 14.460 7.188 ( -12.151 13.016 0.000) 17.806 7.195 ( 0.404 -0.172 0.000) 0.439 7.430 ( -5.701 -6.116 0.000) 8.361 7.625 ( -3.560 -4.438 0.000) 5.690 7.717 ( -2.082 -1.655 0.000) 2.660 7.762 ( -2.901 -0.875 0.000) 3.030 7.934 ( -3.306 -4.631 0.000) 5.690 8.008 ( 0.375 13.162 0.000) 13.167 8.123 ( 0.456 11.878 0.000) 11.887 8.260 ( -3.146 0.206 0.000) 3.153 8.471 ( 1.008 -2.555 0.000) 2.747 8.639 ( -0.250 0.782 0.000) 0.821 8.778 ( -0.049 -3.095 0.000) 3.095 8.790 ( -1.231 -4.687 0.000) 4.846 9.128 ( 11.499 4.205 0.000) 12.244 9.174 ( -1.032 2.522 0.000) 2.725 9.607 ( 12.646 1.952 0.000) 12.796 9.686 ( 0.024 -4.331 0.000) 4.332 9.868 ( 4.761 -11.048 0.000) 12.030 10.349 ( 0.549 0.182 0.000) 0.578 10.505 ( -0.190 -3.203 0.000) 3.209 10.763 ( -12.076 -3.085 0.000) 12.464 11.053 ( 2.487 1.256 0.000) 2.786 11.579 ( 1.325 2.909 0.000) 3.197 11.997 ( -6.885 -0.524 0.000) 6.905 13.609 ( 17.386 2.353 0.000) 17.545 13.714 ( -4.760 -0.292 0.000) 4.769 13.984 ( 5.246 -5.526 0.000) 7.620 14.170 ( 0.801 -0.579 0.000) 0.989 14.298 ( 0.631 -8.575 0.000) 8.598 15.340 ( -9.602 5.837 0.000) 11.237 15.716 ( -0.588 6.099 0.000) 6.128 15.938 ( 0.256 -0.132 0.000) 0.288 16.022 ( 1.596 -0.110 0.000) 1.599 ======================= Grid point 36 (25/93) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 19.340 -7.422 0.000) 20.715 2.066 ( 14.259 -13.219 0.000) 19.444 2.431 ( 3.692 -14.869 0.000) 15.321 2.523 ( 9.107 10.018 0.000) 13.539 2.723 ( -11.908 -0.582 0.000) 11.923 2.833 ( -4.881 0.383 0.000) 4.896 2.837 ( 2.692 7.035 0.000) 7.533 2.963 ( -4.436 0.383 0.000) 4.452 3.028 ( 2.970 -1.808 0.000) 3.477 3.178 ( 4.078 10.941 0.000) 11.677 3.223 ( 1.866 -5.384 0.000) 5.698 3.440 ( -11.279 4.777 0.000) 12.249 3.619 ( -1.132 -1.596 0.000) 1.956 3.742 ( 6.939 -9.353 0.000) 11.646 3.850 ( 3.443 -2.780 0.000) 4.426 3.883 ( 1.464 4.822 0.000) 5.039 4.025 ( -1.010 -0.439 0.000) 1.101 4.227 ( -8.212 -0.145 0.000) 8.213 4.549 ( -16.254 6.607 0.000) 17.545 4.756 ( 0.233 1.993 0.000) 2.007 4.813 ( -0.491 3.046 0.000) 3.085 5.143 ( 7.851 6.298 0.000) 10.065 5.235 ( 3.227 1.458 0.000) 3.541 5.458 ( 2.127 0.805 0.000) 2.274 5.481 ( 2.067 -1.923 0.000) 2.823 5.579 ( -6.155 1.559 0.000) 6.349 5.607 ( -4.428 9.902 0.000) 10.847 5.936 ( 3.146 -0.544 0.000) 3.193 5.970 ( 2.789 1.954 0.000) 3.406 6.161 ( 14.384 -2.078 0.000) 14.533 6.220 ( 3.283 -4.446 0.000) 5.527 6.402 ( -0.509 -2.777 0.000) 2.823 6.434 ( 3.832 1.195 0.000) 4.014 6.610 ( -1.903 9.607 0.000) 9.794 6.663 ( -2.700 -0.986 0.000) 2.875 6.775 ( -3.985 -5.648 0.000) 6.913 6.882 ( -13.218 6.896 0.000) 14.909 6.896 ( 2.789 2.615 0.000) 3.823 6.957 ( 4.513 -5.059 0.000) 6.780 7.232 ( 1.771 -1.371 0.000) 2.240 7.475 ( -4.734 -4.278 0.000) 6.381 7.603 ( -4.549 1.964 0.000) 4.954 7.710 ( -1.505 6.669 0.000) 6.837 7.711 ( -6.056 6.955 0.000) 9.222 7.734 ( -0.678 10.872 0.000) 10.893 7.910 ( 2.012 3.288 0.000) 3.855 8.030 ( -2.783 -3.981 0.000) 4.857 8.229 ( -4.071 -0.315 0.000) 4.084 8.505 ( -0.911 -1.256 0.000) 1.552 8.659 ( -0.051 -3.597 0.000) 3.597 8.815 ( -2.045 -0.125 0.000) 2.049 8.840 ( 1.456 -2.934 0.000) 3.275 9.122 ( -0.652 2.241 0.000) 2.334 9.153 ( 6.852 1.990 0.000) 7.135 9.759 ( 17.600 -1.584 0.000) 17.671 9.776 ( 0.621 -4.858 0.000) 4.897 10.090 ( 1.927 -10.533 0.000) 10.708 10.307 ( -5.366 1.876 0.000) 5.685 10.588 ( 0.225 -6.183 0.000) 6.187 10.719 ( -9.575 -3.113 0.000) 10.069 11.049 ( 1.932 1.281 0.000) 2.318 11.515 ( 0.866 5.475 0.000) 5.543 11.951 ( -5.402 -0.726 0.000) 5.450 13.684 ( -3.380 -0.648 0.000) 3.441 13.686 ( 10.986 3.392 0.000) 11.498 14.176 ( 6.426 -9.363 0.000) 11.356 14.204 ( 0.786 -2.048 0.000) 2.194 14.490 ( 0.782 -12.222 0.000) 12.247 15.104 ( -8.614 11.128 0.000) 14.073 15.567 ( 0.009 10.264 0.000) 10.264 15.944 ( 0.271 -0.482 0.000) 0.553 16.044 ( 1.001 -0.846 0.000) 1.311 ======================= Grid point 37 (26/93) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 14.018 -5.452 0.000) 15.041 2.377 ( 7.460 -7.380 0.000) 10.494 2.420 ( 5.571 9.675 0.000) 11.164 2.619 ( 10.860 6.871 0.000) 12.851 2.683 ( -7.547 7.614 0.000) 10.721 2.702 ( -8.333 -7.274 0.000) 11.062 2.786 ( -3.608 4.548 0.000) 5.806 2.871 ( -0.899 5.214 0.000) 5.291 2.996 ( -1.889 -1.230 0.000) 2.255 3.072 ( -1.769 -4.088 0.000) 4.454 3.318 ( -5.682 1.489 0.000) 5.874 3.357 ( 1.705 -8.194 0.000) 8.369 3.593 ( -1.281 0.832 0.000) 1.527 3.840 ( 8.096 4.871 0.000) 9.448 3.859 ( 0.804 -1.129 0.000) 1.386 3.970 ( -2.992 0.375 0.000) 3.016 4.046 ( 1.845 -0.704 0.000) 1.975 4.187 ( -8.986 -7.016 0.000) 11.400 4.404 ( -6.608 -9.086 0.000) 11.235 4.750 ( 0.554 1.116 0.000) 1.246 4.761 ( -0.289 0.961 0.000) 1.004 5.015 ( 0.197 7.909 0.000) 7.911 5.244 ( 3.169 1.425 0.000) 3.475 5.302 ( -0.680 14.363 0.000) 14.379 5.460 ( -0.230 3.417 0.000) 3.424 5.610 ( -1.393 -11.740 0.000) 11.822 5.651 ( 2.010 -5.684 0.000) 6.029 5.960 ( 3.388 1.647 0.000) 3.767 5.971 ( 0.626 -0.528 0.000) 0.819 6.189 ( -0.671 10.919 0.000) 10.940 6.231 ( 7.509 5.404 0.000) 9.251 6.408 ( -5.776 10.574 0.000) 12.049 6.409 ( -0.169 7.348 0.000) 7.350 6.492 ( 0.501 -4.147 0.000) 4.178 6.547 ( 1.392 -2.723 0.000) 3.058 6.696 ( -7.295 2.790 0.000) 7.810 6.753 ( 4.491 1.557 0.000) 4.753 7.100 ( 4.805 -1.530 0.000) 5.043 7.146 ( 6.401 -8.922 0.000) 10.981 7.278 ( 3.440 -1.496 0.000) 3.751 7.403 ( -0.699 17.019 0.000) 17.033 7.483 ( -2.470 6.951 0.000) 7.377 7.485 ( -6.858 -2.857 0.000) 7.429 7.514 ( -6.985 -0.181 0.000) 6.987 7.698 ( -1.322 1.205 0.000) 1.789 7.946 ( 0.155 -3.662 0.000) 3.665 8.069 ( -0.703 -1.745 0.000) 1.881 8.196 ( -3.546 -0.340 0.000) 3.562 8.501 ( -1.054 0.465 0.000) 1.151 8.757 ( 1.238 -4.024 0.000) 4.210 8.795 ( -2.515 -3.320 0.000) 4.165 8.901 ( 1.518 -2.356 0.000) 2.803 9.080 ( -0.459 2.127 0.000) 2.176 9.189 ( 3.265 -0.355 0.000) 3.284 9.848 ( 0.588 -2.408 0.000) 2.479 9.932 ( 16.175 2.555 0.000) 16.375 10.216 ( -9.424 -1.883 0.000) 9.610 10.272 ( 0.495 -8.616 0.000) 8.631 10.679 ( -5.408 -0.059 0.000) 5.408 10.720 ( 0.478 -8.233 0.000) 8.247 11.053 ( 1.171 -0.288 0.000) 1.206 11.408 ( 0.365 7.168 0.000) 7.177 11.923 ( -3.303 -0.836 0.000) 3.407 13.674 ( -1.827 -0.989 0.000) 2.077 13.713 ( 6.106 2.526 0.000) 6.608 14.243 ( 0.490 -1.412 0.000) 1.494 14.411 ( 5.192 -10.902 0.000) 12.075 14.726 ( 0.864 -13.417 0.000) 13.445 14.796 ( -7.079 15.337 0.000) 16.892 15.364 ( 0.041 12.737 0.000) 12.737 15.961 ( 0.141 -1.118 0.000) 1.127 16.067 ( 0.357 -0.998 0.000) 1.060 ======================= Grid point 38 (27/93) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 0.000 17.820 0.000) 17.820 2.354 ( 0.000 12.556 0.000) 12.556 2.406 ( -0.000 -2.244 0.000) 2.244 2.481 ( 0.000 15.672 0.000) 15.672 2.513 ( 0.000 11.320 0.000) 11.320 2.539 ( 0.000 1.408 0.000) 1.408 2.761 ( 0.000 0.503 0.000) 0.503 2.921 ( -0.000 -7.281 0.000) 7.281 3.134 ( -0.000 -5.934 0.000) 5.934 3.236 ( -0.000 -17.052 0.000) 17.052 3.249 ( 0.000 2.852 0.000) 2.852 3.497 ( -0.000 -4.225 0.000) 4.225 3.562 ( 0.000 2.481 0.000) 2.481 3.836 ( -0.000 -1.826 0.000) 1.826 3.843 ( 0.000 4.461 0.000) 4.461 3.917 ( -0.000 -4.238 0.000) 4.238 4.057 ( -0.000 -1.671 0.000) 1.671 4.405 ( -0.000 -21.658 0.000) 21.658 4.553 ( -0.000 -3.555 0.000) 3.555 4.665 ( 0.000 7.572 0.000) 7.572 4.877 ( -0.000 -14.879 0.000) 14.879 4.932 ( 0.000 1.529 0.000) 1.529 5.011 ( 0.000 16.584 0.000) 16.584 5.309 ( -0.000 -6.001 0.000) 6.001 5.403 ( 0.000 3.192 0.000) 3.192 5.710 ( -0.000 -0.442 0.000) 0.442 5.874 ( -0.000 -16.415 0.000) 16.415 5.917 ( 0.000 16.653 0.000) 16.653 5.941 ( 0.000 1.371 0.000) 1.371 6.002 ( -0.000 -1.600 0.000) 1.600 6.119 ( 0.000 15.447 0.000) 15.447 6.175 ( 0.000 5.180 0.000) 5.180 6.266 ( 0.000 7.770 0.000) 7.770 6.595 ( -0.000 -5.326 0.000) 5.326 6.627 ( 0.000 2.435 0.000) 2.435 6.657 ( -0.000 -5.309 0.000) 5.309 6.744 ( 0.000 2.806 0.000) 2.806 6.925 ( 0.000 15.250 0.000) 15.250 7.117 ( 0.000 13.071 0.000) 13.071 7.284 ( -0.000 -3.455 0.000) 3.455 7.343 ( 0.000 6.893 0.000) 6.893 7.436 ( 0.000 1.646 0.000) 1.646 7.445 ( -0.000 -10.376 0.000) 10.376 7.655 ( 0.000 2.936 0.000) 2.936 7.679 ( -0.000 -14.936 0.000) 14.936 8.010 ( -0.000 -3.327 0.000) 3.327 8.079 ( -0.000 -0.094 0.000) 0.094 8.187 ( -0.000 -0.838 0.000) 0.838 8.474 ( 0.000 1.962 0.000) 1.962 8.757 ( 0.000 0.513 0.000) 0.513 8.945 ( -0.000 -10.299 0.000) 10.299 8.947 ( -0.000 -1.934 0.000) 1.934 9.042 ( 0.000 1.635 0.000) 1.635 9.211 ( -0.000 -0.081 0.000) 0.081 9.865 ( 0.000 0.797 0.000) 0.797 9.887 ( 0.000 9.407 0.000) 9.407 10.266 ( -0.000 -7.066 0.000) 7.066 10.404 ( -0.000 -5.619 0.000) 5.619 10.620 ( 0.000 3.680 0.000) 3.680 10.870 ( -0.000 -7.868 0.000) 7.868 11.090 ( -0.000 -3.566 0.000) 3.566 11.281 ( 0.000 6.949 0.000) 6.949 11.924 ( -0.000 -1.230 0.000) 1.230 13.686 ( -0.000 -1.358 0.000) 1.358 13.710 ( 0.000 1.421 0.000) 1.421 14.257 ( 0.000 0.056 0.000) 0.056 14.441 ( 0.000 19.666 0.000) 19.666 14.658 ( -0.000 -13.335 0.000) 13.335 14.962 ( -0.000 -12.656 0.000) 12.656 15.128 ( 0.000 13.891 0.000) 13.891 15.983 ( -0.000 -1.172 0.000) 1.172 16.084 ( -0.000 -0.634 0.000) 0.634 ======================= Grid point 45 (28/93) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 15.724 0.000 0.000) 15.724 1.843 ( 24.036 0.000 0.000) 24.036 2.045 ( -8.298 -0.000 0.000) 8.298 2.703 ( -13.071 -0.000 0.000) 13.071 2.793 ( 9.603 0.000 0.000) 9.603 2.804 ( -4.325 -0.000 0.000) 4.325 2.910 ( -1.027 -0.000 0.000) 1.027 2.989 ( 2.017 0.000 0.000) 2.017 3.025 ( 12.633 0.000 0.000) 12.633 3.101 ( 5.162 0.000 0.000) 5.162 3.344 ( 0.472 0.000 0.000) 0.472 3.356 ( 3.828 0.000 0.000) 3.828 3.598 ( -10.699 -0.000 0.000) 10.699 3.686 ( -10.022 -0.000 0.000) 10.022 3.790 ( 6.094 0.000 0.000) 6.094 3.990 ( -2.781 -0.000 0.000) 2.781 4.079 ( 6.819 0.000 0.000) 6.819 4.326 ( -4.972 -0.000 0.000) 4.972 4.652 ( -11.089 -0.000 0.000) 11.089 4.860 ( 1.366 0.000 0.000) 1.366 4.905 ( -0.629 -0.000 0.000) 0.629 4.978 ( 9.002 0.000 0.000) 9.002 5.309 ( -4.933 -0.000 0.000) 4.933 5.469 ( 9.358 0.000 0.000) 9.358 5.653 ( -3.807 -0.000 0.000) 3.807 5.822 ( 6.329 0.000 0.000) 6.329 5.848 ( -1.815 -0.000 0.000) 1.815 5.874 ( 2.092 0.000 0.000) 2.092 5.933 ( 13.359 0.000 0.000) 13.359 6.055 ( 3.271 0.000 0.000) 3.271 6.181 ( -1.453 -0.000 0.000) 1.453 6.213 ( -0.334 -0.000 0.000) 0.334 6.362 ( -3.222 -0.000 0.000) 3.222 6.524 ( -0.542 -0.000 0.000) 0.542 6.580 ( 3.418 0.000 0.000) 3.418 6.796 ( -4.286 -0.000 0.000) 4.286 6.882 ( -0.279 -0.000 0.000) 0.279 7.106 ( -15.109 -0.000 0.000) 15.109 7.173 ( -15.820 -0.000 0.000) 15.820 7.202 ( 2.203 0.000 0.000) 2.203 7.340 ( 0.806 0.000 0.000) 0.806 7.562 ( 1.246 0.000 0.000) 1.246 7.680 ( -2.408 -0.000 0.000) 2.408 7.761 ( -1.080 -0.000 0.000) 1.080 7.824 ( -4.419 -0.000 0.000) 4.419 8.135 ( 0.333 0.000 0.000) 0.333 8.245 ( -1.887 -0.000 0.000) 1.887 8.261 ( 1.157 0.000 0.000) 1.157 8.458 ( 0.930 0.000 0.000) 0.930 8.650 ( -4.116 -0.000 0.000) 4.116 8.728 ( 3.410 0.000 0.000) 3.410 8.733 ( -0.685 -0.000 0.000) 0.685 9.193 ( -0.699 -0.000 0.000) 0.699 9.271 ( 8.150 0.000 0.000) 8.150 9.639 ( -0.357 -0.000 0.000) 0.357 9.704 ( 3.570 0.000 0.000) 3.570 9.838 ( 13.138 0.000 0.000) 13.138 10.375 ( 2.226 0.000 0.000) 2.226 10.474 ( -0.217 -0.000 0.000) 0.217 10.610 ( -13.275 -0.000 0.000) 13.275 11.082 ( 1.387 0.000 0.000) 1.387 11.617 ( 1.080 0.000 0.000) 1.080 11.938 ( -4.776 -0.000 0.000) 4.776 13.673 ( -3.386 -0.000 0.000) 3.386 13.793 ( 14.573 0.000 0.000) 14.573 13.960 ( 2.465 0.000 0.000) 2.465 14.191 ( 0.509 0.000 0.000) 0.509 14.202 ( 0.415 0.000 0.000) 0.415 15.310 ( -7.736 -0.000 0.000) 7.736 15.763 ( -0.671 -0.000 0.000) 0.671 15.940 ( 0.380 0.000 0.000) 0.380 16.034 ( 0.938 0.000 0.000) 0.938 ======================= Grid point 46 (29/93) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 9.398 -8.220 0.000) 12.485 2.070 ( 20.262 -1.873 0.000) 20.348 2.120 ( -4.076 -15.012 0.000) 15.556 2.539 ( -16.946 1.584 0.000) 17.020 2.753 ( 0.544 2.233 0.000) 2.298 2.835 ( 3.540 2.613 0.000) 4.400 2.904 ( -1.030 0.400 0.000) 1.105 2.992 ( 2.853 2.374 0.000) 3.711 3.050 ( 0.771 2.213 0.000) 2.343 3.180 ( 3.152 -2.542 0.000) 4.049 3.352 ( 3.405 4.069 0.000) 5.306 3.454 ( -8.743 5.796 0.000) 10.490 3.523 ( 6.562 -12.816 0.000) 14.398 3.609 ( -5.849 -1.703 0.000) 6.092 3.867 ( 5.126 -1.938 0.000) 5.480 3.959 ( -1.077 1.489 0.000) 1.837 4.085 ( 4.740 6.549 0.000) 8.084 4.208 ( -5.325 4.182 0.000) 6.771 4.523 ( -10.080 4.141 0.000) 10.898 4.832 ( 0.605 5.107 0.000) 5.143 4.862 ( -0.026 2.654 0.000) 2.654 5.188 ( 8.287 -11.706 0.000) 14.342 5.249 ( -1.379 0.623 0.000) 1.513 5.529 ( 5.527 3.378 0.000) 6.477 5.556 ( -7.568 9.725 0.000) 12.322 5.618 ( 2.608 11.008 0.000) 11.313 5.788 ( -0.770 10.143 0.000) 10.172 5.891 ( -0.198 -4.974 0.000) 4.978 6.045 ( 1.961 3.006 0.000) 3.589 6.185 ( 3.920 -3.426 0.000) 5.206 6.233 ( 15.310 -6.910 0.000) 16.798 6.291 ( -3.205 -6.187 0.000) 6.967 6.460 ( -3.655 -11.744 0.000) 12.300 6.509 ( -1.894 -1.107 0.000) 2.194 6.624 ( 0.221 -2.150 0.000) 2.161 6.714 ( -3.557 4.409 0.000) 5.665 6.900 ( 0.175 -0.917 0.000) 0.934 6.931 ( -6.004 5.620 0.000) 8.224 6.986 ( -6.968 5.971 0.000) 9.177 7.226 ( 1.275 -0.837 0.000) 1.525 7.378 ( -1.167 -3.051 0.000) 3.267 7.608 ( 1.446 -1.822 0.000) 2.326 7.676 ( -1.605 -1.530 0.000) 2.217 7.683 ( -4.480 2.317 0.000) 5.044 7.894 ( -0.935 -6.995 0.000) 7.057 8.013 ( 0.159 13.007 0.000) 13.008 8.135 ( 0.500 13.203 0.000) 13.212 8.218 ( -1.166 1.237 0.000) 1.700 8.477 ( 0.034 -1.283 0.000) 1.283 8.621 ( -0.942 -0.721 0.000) 1.186 8.776 ( -0.051 -4.356 0.000) 4.356 8.788 ( 0.346 -2.260 0.000) 2.287 9.161 ( -0.350 2.499 0.000) 2.524 9.267 ( 3.460 4.954 0.000) 6.043 9.686 ( -0.016 -4.953 0.000) 4.953 9.812 ( 5.608 -7.231 0.000) 9.150 9.992 ( 8.975 -4.042 0.000) 9.844 10.321 ( -4.381 5.242 0.000) 6.832 10.503 ( -0.046 -3.431 0.000) 3.431 10.566 ( -6.583 -5.439 0.000) 8.539 11.082 ( 0.722 0.958 0.000) 1.199 11.598 ( 0.553 3.029 0.000) 3.079 11.906 ( -2.578 -0.203 0.000) 2.586 13.651 ( -1.752 -0.308 0.000) 1.779 13.834 ( 5.881 4.473 0.000) 7.389 14.072 ( 3.527 -7.777 0.000) 8.539 14.181 ( 0.318 -0.753 0.000) 0.818 14.306 ( 0.224 -8.690 0.000) 8.693 15.196 ( -4.662 6.230 0.000) 7.782 15.707 ( -0.242 5.645 0.000) 5.650 15.943 ( 0.179 -0.042 0.000) 0.184 16.043 ( 0.567 -0.254 0.000) 0.621 ======================= Grid point 47 (30/93) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -0.000 -12.093 0.000) 12.093 2.244 ( -0.000 -3.624 0.000) 3.624 2.434 ( -0.000 -3.206 0.000) 3.206 2.458 ( -0.000 -23.042 0.000) 23.042 2.712 ( 0.000 5.061 0.000) 5.061 2.758 ( 0.000 6.946 0.000) 6.946 2.856 ( 0.000 5.346 0.000) 5.346 2.948 ( 0.000 4.184 0.000) 4.184 3.028 ( -0.000 -0.718 0.000) 0.718 3.193 ( 0.000 15.999 0.000) 15.999 3.254 ( -0.000 -4.502 0.000) 4.502 3.328 ( 0.000 2.501 0.000) 2.501 3.580 ( -0.000 -0.694 0.000) 0.694 3.853 ( -0.000 -15.057 0.000) 15.057 3.890 ( 0.000 4.616 0.000) 4.616 3.924 ( -0.000 -0.591 0.000) 0.591 4.040 ( -0.000 -1.538 0.000) 1.538 4.126 ( 0.000 3.334 0.000) 3.334 4.336 ( 0.000 8.132 0.000) 8.132 4.762 ( 0.000 2.017 0.000) 2.017 4.813 ( 0.000 3.061 0.000) 3.061 5.232 ( 0.000 15.758 0.000) 15.758 5.271 ( -0.000 -1.411 0.000) 1.411 5.483 ( -0.000 -13.287 0.000) 13.287 5.486 ( 0.000 0.606 0.000) 0.606 5.525 ( 0.000 4.127 0.000) 4.127 5.564 ( 0.000 14.078 0.000) 14.078 5.968 ( -0.000 -2.635 0.000) 2.635 6.000 ( 0.000 2.827 0.000) 2.827 6.265 ( -0.000 -0.722 0.000) 0.722 6.365 ( 0.000 2.210 0.000) 2.210 6.385 ( -0.000 -6.849 0.000) 6.849 6.481 ( -0.000 -1.841 0.000) 1.841 6.517 ( 0.000 4.316 0.000) 4.316 6.585 ( 0.000 8.996 0.000) 8.996 6.747 ( 0.000 7.763 0.000) 7.763 6.766 ( -0.000 -6.059 0.000) 6.059 6.944 ( -0.000 -8.779 0.000) 8.779 7.009 ( -0.000 -8.168 0.000) 8.168 7.256 ( -0.000 -1.845 0.000) 1.845 7.415 ( -0.000 -2.173 0.000) 2.173 7.561 ( 0.000 5.333 0.000) 5.333 7.640 ( 0.000 6.249 0.000) 6.249 7.691 ( 0.000 0.624 0.000) 0.624 7.731 ( 0.000 16.932 0.000) 16.932 7.928 ( 0.000 5.513 0.000) 5.513 8.003 ( -0.000 -5.289 0.000) 5.289 8.189 ( 0.000 1.053 0.000) 1.053 8.495 ( -0.000 -0.647 0.000) 0.647 8.661 ( -0.000 -4.327 0.000) 4.327 8.794 ( 0.000 1.115 0.000) 1.115 8.853 ( -0.000 -3.863 0.000) 3.863 9.117 ( 0.000 2.255 0.000) 2.255 9.217 ( 0.000 2.120 0.000) 2.120 9.782 ( -0.000 -5.200 0.000) 5.200 10.004 ( -0.000 -9.000 0.000) 9.000 10.132 ( -0.000 -6.817 0.000) 6.817 10.168 ( 0.000 7.053 0.000) 7.053 10.591 ( -0.000 -6.446 0.000) 6.446 10.621 ( -0.000 -3.536 0.000) 3.536 11.067 ( 0.000 1.015 0.000) 1.015 11.524 ( 0.000 5.579 0.000) 5.579 11.898 ( -0.000 -0.359 0.000) 0.359 13.651 ( -0.000 -0.622 0.000) 0.622 13.791 ( 0.000 3.381 0.000) 3.381 14.212 ( -0.000 -2.154 0.000) 2.154 14.248 ( -0.000 -9.941 0.000) 9.941 14.497 ( -0.000 -12.551 0.000) 12.551 15.012 ( 0.000 12.001 0.000) 12.001 15.567 ( 0.000 10.042 0.000) 10.042 15.947 ( -0.000 -0.475 0.000) 0.475 16.054 ( -0.000 -0.692 0.000) 0.692 ======================= Grid point 58 (31/93) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -0.000 -0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 2.180 ( -0.000 -0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 2.902 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.464 ( 0.000 0.000 0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.241 ( -0.000 -0.000 0.000) 0.000 4.510 ( 0.000 0.000 0.000) 0.000 4.885 ( -0.000 -0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.582 ( -0.000 -0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 5.893 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.214 ( 0.000 0.000 0.000) 0.000 6.307 ( -0.000 -0.000 0.000) 0.000 6.531 ( 0.000 0.000 0.000) 0.000 6.612 ( 0.000 0.000 0.000) 0.000 6.730 ( 0.000 0.000 0.000) 0.000 6.884 ( 0.000 0.000 0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 7.577 ( 0.000 0.000 0.000) 0.000 7.652 ( 0.000 0.000 0.000) 0.000 7.750 ( 0.000 0.000 0.000) 0.000 7.777 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.227 ( 0.000 0.000 0.000) 0.000 8.275 ( 0.000 0.000 0.000) 0.000 8.465 ( 0.000 0.000 0.000) 0.000 8.608 ( 0.000 0.000 0.000) 0.000 8.727 ( 0.000 0.000 0.000) 0.000 8.761 ( 0.000 0.000 0.000) 0.000 9.186 ( 0.000 0.000 0.000) 0.000 9.344 ( 0.000 0.000 0.000) 0.000 9.635 ( 0.000 0.000 0.000) 0.000 9.738 ( 0.000 0.000 0.000) 0.000 10.020 ( 0.000 0.000 0.000) 0.000 10.397 ( 0.000 0.000 0.000) 0.000 10.434 ( -0.000 -0.000 0.000) 0.000 10.472 ( 0.000 0.000 0.000) 0.000 11.094 ( 0.000 0.000 0.000) 0.000 11.627 ( 0.000 0.000 0.000) 0.000 11.892 ( 0.000 0.000 0.000) 0.000 13.641 ( 0.000 0.000 0.000) 0.000 13.938 ( 0.000 0.000 0.000) 0.000 13.983 ( 0.000 0.000 0.000) 0.000 14.196 ( 0.000 0.000 0.000) 0.000 14.206 ( 0.000 0.000 0.000) 0.000 15.230 ( 0.000 0.000 0.000) 0.000 15.756 ( 0.000 0.000 0.000) 0.000 15.944 ( 0.000 0.000 0.000) 0.000 16.043 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 0.000 0.000 25.825) 25.825 0.526 ( 0.000 0.000 28.566) 28.566 1.019 ( 0.000 0.000 54.370) 54.370 1.729 ( 0.000 0.000 -14.849) 14.849 1.887 ( 0.000 0.000 -15.709) 15.709 2.357 ( 0.000 0.000 12.558) 12.558 3.024 ( 0.000 0.000 -7.412) 7.412 3.061 ( 0.000 0.000 1.153) 1.153 3.091 ( 0.000 0.000 -9.174) 9.174 3.264 ( 0.000 0.000 2.530) 2.530 3.413 ( 0.000 0.000 -13.393) 13.393 3.497 ( 0.000 0.000 -4.949) 4.949 3.558 ( 0.000 0.000 14.972) 14.972 4.004 ( 0.000 0.000 5.971) 5.971 4.104 ( 0.000 0.000 11.264) 11.264 4.140 ( 0.000 0.000 -10.135) 10.135 4.285 ( 0.000 0.000 -2.144) 2.144 4.498 ( 0.000 0.000 5.595) 5.595 4.651 ( 0.000 0.000 2.842) 2.842 4.654 ( 0.000 0.000 -1.849) 1.849 4.735 ( 0.000 0.000 -14.645) 14.645 4.852 ( 0.000 0.000 -3.940) 3.940 5.355 ( 0.000 0.000 15.909) 15.909 5.472 ( 0.000 0.000 -4.351) 4.351 5.497 ( 0.000 0.000 -7.159) 7.159 5.526 ( 0.000 0.000 0.563) 0.563 5.860 ( 0.000 0.000 5.419) 5.419 5.888 ( 0.000 0.000 -4.787) 4.787 5.927 ( 0.000 0.000 0.690) 0.690 5.990 ( 0.000 0.000 1.060) 1.060 5.996 ( 0.000 0.000 -4.875) 4.875 6.092 ( 0.000 0.000 -1.899) 1.899 6.101 ( 0.000 0.000 -4.050) 4.050 6.693 ( 0.000 0.000 -14.632) 14.632 6.821 ( 0.000 0.000 3.349) 3.349 6.891 ( 0.000 0.000 1.887) 1.887 6.975 ( 0.000 0.000 -3.166) 3.166 7.039 ( 0.000 0.000 15.256) 15.256 7.274 ( 0.000 0.000 -3.438) 3.438 7.379 ( 0.000 0.000 10.506) 10.506 7.569 ( 0.000 0.000 2.389) 2.389 7.744 ( 0.000 0.000 12.502) 12.502 7.767 ( 0.000 0.000 0.163) 0.163 7.980 ( 0.000 0.000 -0.551) 0.551 8.018 ( 0.000 0.000 -2.834) 2.834 8.127 ( 0.000 0.000 2.496) 2.496 8.271 ( 0.000 0.000 5.765) 5.765 8.415 ( 0.000 0.000 -2.211) 2.211 8.424 ( 0.000 0.000 -12.248) 12.248 8.466 ( 0.000 0.000 2.009) 2.009 8.702 ( 0.000 0.000 -2.894) 2.894 8.829 ( 0.000 0.000 1.326) 1.326 8.903 ( 0.000 0.000 -11.897) 11.897 9.066 ( 0.000 0.000 -8.404) 8.404 9.305 ( 0.000 0.000 5.478) 5.478 9.458 ( 0.000 0.000 -0.688) 0.688 9.516 ( 0.000 0.000 7.167) 7.167 9.671 ( 0.000 0.000 -0.382) 0.382 10.845 ( 0.000 0.000 4.537) 4.537 11.121 ( 0.000 0.000 -2.383) 2.383 11.376 ( 0.000 0.000 2.028) 2.028 11.555 ( 0.000 0.000 -2.459) 2.459 12.445 ( 0.000 0.000 0.426) 0.426 12.488 ( 0.000 0.000 -0.634) 0.634 14.015 ( 0.000 0.000 0.235) 0.235 14.027 ( 0.000 0.000 -0.046) 0.046 14.151 ( 0.000 0.000 0.046) 0.046 14.158 ( 0.000 0.000 -0.122) 0.122 15.837 ( 0.000 0.000 0.094) 0.094 15.854 ( 0.000 0.000 -0.254) 0.254 15.872 ( 0.000 0.000 0.787) 0.787 15.926 ( 0.000 0.000 -0.618) 0.618 ======================= Grid point 106 (33/93) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 7.623 -13.535 18.563) 24.205 0.770 ( 19.362 -14.836 16.918) 29.685 1.334 ( 9.027 -25.909 39.741) 48.292 1.802 ( 4.755 -3.457 -14.256) 15.421 1.939 ( 3.298 -4.450 -17.175) 18.046 2.401 ( 6.655 -1.224 13.024) 14.677 2.777 ( 1.643 16.141 2.377) 16.398 3.052 ( -4.289 3.448 -4.557) 7.145 3.095 ( -0.233 0.705 -4.937) 4.993 3.311 ( 1.056 -1.724 -2.391) 3.131 3.423 ( -4.386 -6.557 -1.947) 8.125 3.493 ( -1.941 -0.072 0.488) 2.002 3.586 ( 8.536 2.769 5.575) 10.564 3.984 ( -4.387 0.078 2.408) 5.005 4.114 ( -2.047 -0.680 -5.644) 6.042 4.232 ( -0.846 -10.082 6.923) 12.259 4.342 ( -4.969 0.096 -7.722) 9.183 4.498 ( 3.953 1.258 4.518) 6.133 4.575 ( -2.292 2.000 3.116) 4.355 4.712 ( -1.569 -5.317 -2.370) 6.029 4.777 ( 4.262 -2.413 -12.089) 13.043 5.085 ( -11.556 -17.756 -10.940) 23.843 5.356 ( -3.791 -1.925 11.180) 11.961 5.427 ( -0.440 4.592 -3.778) 5.962 5.520 ( 0.787 1.519 -0.645) 1.828 5.543 ( 2.358 -0.748 -5.209) 5.767 5.714 ( 1.957 8.236 4.309) 9.499 5.894 ( -5.450 1.409 -2.530) 6.171 5.958 ( -1.315 -2.297 -0.981) 2.823 5.984 ( 1.652 -0.264 -4.581) 4.876 6.016 ( 4.304 1.654 -2.627) 5.306 6.091 ( 5.569 1.565 -4.219) 7.160 6.171 ( 3.829 -2.424 -2.162) 5.021 6.519 ( -6.724 9.006 -4.291) 12.031 6.882 ( -4.102 -1.935 0.828) 4.610 6.927 ( 0.747 4.706 -2.371) 5.323 6.934 ( 0.366 -1.923 -1.293) 2.347 7.105 ( 7.228 -0.034 14.378) 16.093 7.254 ( 2.254 2.255 -6.660) 7.384 7.342 ( 4.711 5.620 5.434) 9.128 7.561 ( 5.790 4.834 2.302) 7.886 7.712 ( 1.893 4.442 9.805) 10.929 7.773 ( 4.654 4.626 0.716) 6.601 8.026 ( 2.562 -1.684 -5.054) 5.911 8.048 ( -0.683 -2.704 -0.743) 2.886 8.090 ( 0.494 1.857 7.793) 8.026 8.184 ( -4.977 5.731 4.991) 9.084 8.309 ( -4.093 8.024 4.759) 10.188 8.376 ( 3.442 7.535 1.044) 8.350 8.474 ( 0.897 -3.197 -10.543) 11.053 8.634 ( 0.123 -7.763 0.228) 7.767 8.873 ( -4.058 -1.089 -10.224) 11.054 8.903 ( -0.721 0.153 -3.881) 3.950 9.099 ( 3.301 0.439 -10.290) 10.816 9.334 ( -2.495 -4.308 6.278) 8.012 9.607 ( -1.037 -11.888 -2.922) 12.286 9.702 ( 2.325 -5.006 2.136) 5.919 9.912 ( 5.651 -23.035 -13.127) 27.108 10.819 ( -0.179 3.563 5.225) 6.326 10.957 ( -1.176 8.846 11.112) 14.252 11.407 ( -12.133 -5.854 -6.032) 14.761 11.528 ( -1.199 2.268 -2.954) 3.912 12.357 ( 6.287 7.214 4.601) 10.618 12.690 ( 6.635 -11.203 -3.749) 13.549 13.867 ( -11.226 4.904 9.101) 15.261 14.013 ( -0.115 2.941 4.760) 5.597 14.124 ( 0.871 -1.795 -0.262) 2.013 14.185 ( 3.791 -2.448 -0.172) 4.516 15.671 ( 1.937 9.367 2.862) 9.985 15.776 ( -2.576 6.733 -1.071) 7.288 15.901 ( 0.831 -2.044 0.730) 2.324 15.985 ( -1.578 -1.819 -2.320) 3.344 ======================= Grid point 107 (34/93) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 9.332 -19.070 7.101) 22.387 1.246 ( 18.380 -18.206 10.661) 27.981 1.880 ( -0.168 -3.995 -11.212) 11.903 1.938 ( 13.994 -26.083 20.807) 36.181 2.066 ( 7.791 -3.063 -12.765) 15.265 2.514 ( 8.598 -1.904 9.879) 13.235 2.580 ( 6.987 10.739 6.471) 14.353 2.922 ( -2.206 4.980 2.809) 6.128 3.082 ( 0.446 -0.115 -8.568) 8.581 3.329 ( -3.899 -0.094 -3.564) 5.284 3.492 ( -1.471 -2.692 0.845) 3.182 3.515 ( 3.261 -3.529 6.631) 8.189 3.586 ( 3.282 3.326 2.454) 5.278 3.941 ( -7.574 -1.862 -0.642) 7.826 4.089 ( -3.363 1.941 -6.643) 7.695 4.222 ( -1.901 5.917 -7.655) 9.860 4.325 ( -9.974 -4.876 7.722) 13.523 4.491 ( 5.811 5.173 4.078) 8.784 4.613 ( -4.452 -9.200 -0.206) 10.223 4.807 ( 3.308 -3.197 -5.343) 7.051 4.895 ( 2.943 -7.050 -4.965) 9.112 5.135 ( -11.780 0.750 -0.029) 11.804 5.304 ( -3.227 4.574 -6.452) 8.542 5.358 ( -4.053 -2.222 3.858) 6.020 5.446 ( 4.816 5.007 1.861) 7.192 5.575 ( 0.376 0.338 0.445) 0.673 5.713 ( 4.843 -1.995 0.527) 5.265 5.763 ( -5.560 5.058 -2.329) 7.869 5.972 ( -4.569 -1.467 -3.041) 5.681 6.009 ( -1.434 -1.313 -5.147) 5.502 6.031 ( 4.920 0.521 -2.445) 5.519 6.125 ( 5.251 0.856 -1.953) 5.668 6.210 ( 1.304 2.679 -4.338) 5.263 6.394 ( 1.440 -1.820 0.051) 2.321 6.704 ( -0.897 17.995 -0.343) 18.021 6.824 ( -6.784 2.908 -1.219) 7.481 6.968 ( -3.937 -2.115 1.066) 4.594 7.118 ( 3.508 1.869 12.013) 12.653 7.232 ( 2.025 10.924 2.301) 11.346 7.301 ( 9.345 2.004 -10.102) 13.906 7.456 ( 8.447 14.426 -1.485) 16.783 7.586 ( -2.952 6.039 11.366) 13.204 7.793 ( 7.462 3.479 8.797) 12.048 7.959 ( -1.965 3.455 -2.664) 4.785 8.023 ( -5.061 3.002 4.068) 7.154 8.081 ( -2.803 -2.510 3.640) 5.235 8.179 ( 1.251 -2.782 1.589) 3.439 8.229 ( 1.521 -1.848 2.423) 3.406 8.325 ( 4.824 2.134 4.273) 6.788 8.573 ( -0.820 -7.049 -11.592) 13.592 8.763 ( -2.947 -6.365 -2.212) 7.355 8.854 ( -4.356 0.149 -7.732) 8.876 8.900 ( -0.872 -2.407 -6.282) 6.783 9.131 ( 4.345 -0.603 -9.897) 10.825 9.380 ( -5.732 -4.900 8.181) 11.126 9.707 ( -2.532 -4.711 -0.271) 5.355 9.938 ( 4.961 -13.285 1.063) 14.221 10.257 ( 3.938 -12.431 -9.445) 16.101 10.723 ( -1.408 4.819 7.115) 8.708 10.873 ( 1.884 2.975 8.895) 9.567 11.344 ( -11.222 -0.112 -6.815) 13.129 11.459 ( -1.818 3.866 -3.559) 5.561 12.315 ( 7.192 4.866 9.487) 12.861 12.952 ( 5.865 -11.143 -5.424) 13.711 13.742 ( -3.685 1.825 4.156) 5.846 13.999 ( 0.499 -1.013 6.207) 6.309 14.150 ( 0.205 -1.488 0.077) 1.504 14.314 ( 4.655 -6.781 -1.998) 8.464 15.545 ( 0.031 7.208 -0.642) 7.237 15.583 ( -4.446 10.985 -1.237) 11.915 15.947 ( 0.405 -2.039 0.236) 2.092 15.993 ( -1.130 -1.484 -0.784) 2.023 ======================= Grid point 108 (35/93) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 9.611 -16.803 2.050) 19.465 1.728 ( 14.845 -18.121 7.200) 24.507 1.922 ( -1.350 -2.929 -9.613) 10.139 2.161 ( 6.916 -0.606 -0.383) 6.953 2.457 ( 6.580 6.291 2.962) 9.574 2.482 ( 14.293 -15.033 11.169) 23.559 2.630 ( 6.915 -0.670 3.036) 7.582 2.874 ( 0.746 -0.022 4.683) 4.742 3.105 ( 0.977 -0.816 -7.959) 8.060 3.262 ( -6.849 1.935 -5.047) 8.725 3.512 ( -1.190 -0.498 4.865) 5.033 3.549 ( 7.306 2.926 8.416) 11.523 3.635 ( 1.225 -5.239 1.612) 5.617 3.878 ( -11.242 -0.037 -1.226) 11.308 3.986 ( -9.057 -1.159 -4.928) 10.375 4.172 ( -0.363 3.349 -6.572) 7.385 4.278 ( -5.469 -1.822 9.388) 11.016 4.490 ( 9.161 2.780 -1.260) 9.656 4.660 ( -1.117 2.208 -7.310) 7.718 4.857 ( -2.299 0.243 2.834) 3.657 4.935 ( -4.938 4.580 6.457) 9.330 5.055 ( -3.425 -8.504 -0.167) 9.170 5.223 ( -2.928 1.287 -7.630) 8.273 5.401 ( -2.940 -5.311 -1.463) 6.245 5.442 ( 3.916 1.428 1.638) 4.478 5.509 ( -5.655 2.111 0.031) 6.037 5.678 ( 2.151 3.806 1.187) 4.530 5.792 ( 2.082 -1.999 0.442) 2.920 5.890 ( -7.378 2.006 -4.060) 8.657 6.030 ( -1.956 -3.387 -3.579) 5.302 6.088 ( 4.412 -1.597 -4.421) 6.447 6.132 ( 2.281 3.918 -4.696) 6.527 6.211 ( 5.177 -0.852 1.925) 5.588 6.313 ( 1.418 21.337 0.569) 21.392 6.567 ( 5.332 -5.696 -5.938) 9.805 6.667 ( -3.743 6.990 -6.744) 10.409 6.904 ( -4.397 5.666 1.821) 7.399 7.005 ( -3.422 9.593 2.199) 10.419 7.139 ( 6.233 4.398 7.892) 10.977 7.277 ( 5.049 8.094 1.289) 9.626 7.339 ( 5.280 2.349 -3.650) 6.836 7.502 ( -4.519 1.114 10.548) 11.529 7.700 ( -0.280 7.045 6.096) 9.320 7.909 ( -2.753 1.194 -3.480) 4.595 8.006 ( 1.407 -0.585 3.762) 4.059 8.093 ( -2.120 -1.282 4.481) 5.120 8.211 ( -0.978 -1.235 5.477) 5.699 8.323 ( 6.478 -2.176 0.293) 6.840 8.392 ( 6.735 -3.370 3.498) 8.303 8.677 ( -3.166 -6.074 -10.744) 12.742 8.782 ( 0.118 0.852 -0.823) 1.191 8.830 ( -7.115 -3.858 -12.192) 14.634 8.943 ( -1.003 -2.438 -2.045) 3.336 9.190 ( 3.162 -1.164 -8.170) 8.838 9.408 ( -6.425 -5.378 9.670) 12.795 9.758 ( -1.592 -3.339 0.037) 3.700 10.193 ( 4.040 -10.359 0.889) 11.154 10.453 ( 2.344 -6.519 -1.395) 7.067 10.653 ( 1.303 2.595 1.233) 3.155 10.858 ( 1.558 0.529 7.019) 7.209 11.219 ( -9.061 3.129 -6.665) 11.676 11.363 ( -1.885 5.014 -3.269) 6.275 12.313 ( 6.050 2.697 12.740) 14.359 13.163 ( 2.120 -8.016 -5.139) 9.755 13.707 ( 0.480 1.014 -3.228) 3.418 14.059 ( 0.075 -5.128 2.844) 5.864 14.198 ( 3.617 -2.583 3.969) 5.959 14.494 ( 4.568 -8.446 -3.095) 10.089 15.323 ( -5.610 12.805 0.092) 13.980 15.404 ( -2.067 7.991 -1.934) 8.478 15.973 ( -0.554 -1.391 0.732) 1.667 16.026 ( 0.132 -2.304 -0.603) 2.385 ======================= Grid point 109 (36/93) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 7.664 -10.103 0.372) 12.686 1.932 ( -1.287 -1.123 -1.238) 2.109 2.103 ( 4.065 -3.790 4.170) 6.948 2.225 ( 7.762 -8.708 4.263) 12.420 2.470 ( 8.804 3.425 1.030) 9.503 2.632 ( 2.964 -1.728 -8.241) 8.926 2.801 ( 7.424 -3.379 6.818) 10.631 2.912 ( 1.018 -1.262 1.497) 2.207 3.075 ( -5.978 1.211 -2.096) 6.449 3.180 ( 0.371 0.349 -3.817) 3.851 3.508 ( 2.093 1.641 7.752) 8.195 3.575 ( 1.420 0.543 4.778) 5.014 3.720 ( -0.305 -2.594 0.001) 2.612 3.802 ( -11.332 -3.656 1.329) 11.981 3.944 ( -5.969 -1.746 -3.610) 7.191 4.040 ( -2.322 7.110 -2.905) 8.024 4.335 ( 4.751 -3.267 7.482) 9.446 4.549 ( 4.723 -1.310 -2.723) 5.607 4.592 ( 3.203 4.304 -3.896) 6.631 4.707 ( -0.773 8.230 4.457) 9.391 4.961 ( -4.245 -5.345 4.236) 8.033 5.136 ( -8.114 -7.906 1.786) 11.469 5.217 ( -5.175 -4.314 -5.862) 8.930 5.405 ( -0.823 0.926 2.302) 2.615 5.434 ( -2.729 1.986 0.514) 3.414 5.486 ( 0.064 -2.002 -1.623) 2.578 5.650 ( 3.804 1.528 1.710) 4.442 5.799 ( 1.819 4.927 -3.653) 6.397 5.854 ( -0.984 0.438 -3.376) 3.544 5.965 ( 1.891 13.045 1.003) 13.219 5.967 ( -2.137 9.769 -2.536) 10.317 6.119 ( -1.235 -3.743 -6.380) 7.499 6.166 ( 3.292 -2.285 -3.546) 5.351 6.304 ( 5.842 -2.822 1.943) 6.772 6.550 ( 1.643 4.575 -10.688) 11.742 6.661 ( -1.776 2.838 -1.195) 3.554 6.742 ( -3.034 4.129 0.751) 5.179 6.844 ( -0.906 4.673 -3.350) 5.821 7.136 ( 4.530 1.670 2.733) 5.548 7.244 ( 0.771 0.649 4.978) 5.079 7.378 ( 3.444 -2.679 -1.684) 4.677 7.434 ( -3.707 1.643 10.242) 11.016 7.607 ( 1.023 4.115 4.324) 6.056 7.870 ( -2.973 0.554 -4.766) 5.645 8.002 ( -0.967 1.294 3.469) 3.827 8.085 ( -1.587 -0.168 3.283) 3.650 8.203 ( -0.369 0.807 12.410) 12.441 8.411 ( 4.842 -1.384 0.302) 5.045 8.524 ( 7.463 -2.399 -0.747) 7.875 8.710 ( -3.283 -2.946 -10.792) 11.659 8.813 ( -5.056 -2.464 -6.951) 8.941 8.828 ( 1.711 -1.968 -2.306) 3.481 8.950 ( -2.315 -0.102 0.748) 2.435 9.214 ( 0.735 0.228 -4.427) 4.493 9.454 ( -3.579 -4.707 7.408) 9.479 9.791 ( -0.829 -1.706 -0.860) 2.083 10.365 ( 3.084 -5.405 1.957) 6.523 10.504 ( -2.648 -0.133 5.107) 5.754 10.686 ( 6.887 -1.324 -5.142) 8.696 10.888 ( -0.198 -3.093 3.923) 4.999 11.078 ( -6.331 4.332 -6.642) 10.147 11.259 ( -1.359 4.639 -2.274) 5.342 12.325 ( 3.430 1.147 14.550) 14.993 13.269 ( -0.329 -3.496 -2.773) 4.474 13.702 ( 1.019 0.620 -7.052) 7.152 14.135 ( -0.605 -2.896 -6.182) 6.854 14.345 ( 6.980 -8.355 9.055) 14.160 14.676 ( 3.372 -6.862 -4.468) 8.855 15.051 ( -5.354 11.001 3.444) 12.710 15.233 ( -3.153 8.251 -2.165) 9.094 15.991 ( -0.301 -1.046 1.141) 1.577 16.062 ( 0.126 -1.411 -0.712) 1.585 ======================= Grid point 110 (37/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -0.000 -0.000 0.523) 0.523 1.929 ( 0.000 -0.000 2.383) 2.383 2.106 ( 0.000 -0.000 3.231) 3.231 2.419 ( -0.000 0.000 0.020) 0.020 2.495 ( 0.000 -0.000 -0.822) 0.822 2.644 ( 0.000 -0.000 -8.089) 8.089 2.850 ( 0.000 -0.000 6.608) 6.608 2.863 ( -0.000 -0.000 1.042) 1.042 3.123 ( 0.000 0.000 2.100) 2.100 3.169 ( 0.000 -0.000 -6.148) 6.148 3.495 ( 0.000 -0.000 9.992) 9.992 3.581 ( 0.000 -0.000 2.484) 2.484 3.720 ( -0.000 0.000 1.032) 1.032 3.738 ( 0.000 -0.000 -2.060) 2.060 3.939 ( 0.000 0.000 0.950) 0.950 3.986 ( -0.000 -0.000 -5.206) 5.206 4.417 ( -0.000 -0.000 11.472) 11.472 4.567 ( 0.000 -0.000 -1.893) 1.893 4.598 ( -0.000 -0.000 3.740) 3.740 4.608 ( 0.000 0.000 -5.971) 5.971 4.988 ( 0.000 -0.000 3.151) 3.151 5.203 ( -0.000 0.000 -1.302) 1.302 5.215 ( 0.000 -0.000 1.049) 1.049 5.398 ( -0.000 -0.000 -1.985) 1.985 5.403 ( 0.000 0.000 3.178) 3.178 5.523 ( 0.000 -0.000 1.046) 1.046 5.655 ( 0.000 -0.000 -4.444) 4.444 5.711 ( -0.000 0.000 6.139) 6.139 5.736 ( 0.000 -0.000 -5.865) 5.865 5.881 ( 0.000 -0.000 -2.499) 2.499 5.949 ( 0.000 -0.000 -2.046) 2.046 6.149 ( -0.000 -0.000 -7.402) 7.402 6.215 ( 0.000 -0.000 -2.803) 2.803 6.380 ( 0.000 -0.000 -0.062) 0.062 6.486 ( 0.000 -0.000 -9.680) 9.680 6.591 ( -0.000 -0.000 2.155) 2.155 6.702 ( 0.000 -0.000 3.384) 3.384 6.811 ( -0.000 -0.000 -10.507) 10.507 7.146 ( -0.000 -0.000 0.453) 0.453 7.238 ( -0.000 -0.000 6.704) 6.704 7.399 ( 0.000 -0.000 12.048) 12.048 7.457 ( 0.000 -0.000 -5.771) 5.771 7.563 ( 0.000 0.000 2.888) 2.888 7.841 ( 0.000 -0.000 -3.128) 3.128 7.977 ( 0.000 -0.000 4.696) 4.696 8.079 ( 0.000 -0.000 1.779) 1.779 8.192 ( -0.000 -0.000 14.897) 14.897 8.448 ( 0.000 -0.000 -0.263) 0.263 8.579 ( -0.000 -0.000 -3.366) 3.366 8.756 ( -0.000 0.000 -4.341) 4.341 8.766 ( 0.000 -0.000 -13.746) 13.746 8.895 ( -0.000 0.000 1.578) 1.578 8.913 ( 0.000 -0.000 2.416) 2.416 9.212 ( 0.000 -0.000 -2.881) 2.881 9.482 ( 0.000 -0.000 5.961) 5.961 9.803 ( 0.000 -0.000 -1.287) 1.287 10.442 ( 0.000 -0.000 4.393) 4.393 10.469 ( -0.000 0.000 2.751) 2.751 10.749 ( -0.000 -0.000 -4.002) 4.002 10.940 ( 0.000 -0.000 4.747) 4.747 10.979 ( 0.000 -0.000 -10.122) 10.122 11.204 ( 0.000 -0.000 -1.443) 1.443 12.332 ( 0.000 -0.000 15.131) 15.131 13.295 ( 0.000 -0.000 -1.645) 1.645 13.701 ( 0.000 -0.000 -7.850) 7.850 14.155 ( 0.000 -0.000 -7.455) 7.455 14.519 ( 0.000 -0.000 7.093) 7.093 14.711 ( 0.000 -0.000 -3.955) 3.955 14.942 ( 0.000 -0.000 4.795) 4.795 15.111 ( 0.000 -0.000 -2.173) 2.173 16.000 ( 0.000 -0.000 1.239) 1.239 16.075 ( -0.000 -0.000 -0.735) 0.735 ======================= Grid point 117 (38/93) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 14.852 0.000 21.443) 26.084 0.871 ( 22.970 0.000 22.331) 32.036 1.233 ( 27.363 0.000 36.420) 45.553 1.891 ( 15.640 0.000 -13.430) 20.615 1.930 ( 5.022 0.000 -16.957) 17.685 2.470 ( 9.440 0.000 13.491) 16.465 2.993 ( -4.943 -0.000 -11.637) 12.644 3.017 ( -2.220 -0.000 5.039) 5.506 3.072 ( 1.544 0.000 -3.293) 3.637 3.266 ( -1.315 -0.000 0.456) 1.392 3.343 ( -3.311 -0.000 -0.452) 3.341 3.451 ( -3.331 -0.000 -5.214) 6.187 3.730 ( 12.666 0.000 4.415) 13.414 3.929 ( -6.859 -0.000 6.847) 9.691 3.988 ( -7.791 -0.000 8.099) 11.239 4.233 ( -5.493 -0.000 -2.218) 5.924 4.262 ( 6.879 0.000 -7.349) 10.066 4.496 ( -4.399 -0.000 3.327) 5.515 4.615 ( 2.414 0.000 5.962) 6.432 4.638 ( -0.911 -0.000 -3.579) 3.693 4.767 ( 1.753 0.000 -12.748) 12.868 4.852 ( 1.812 0.000 -4.551) 4.898 5.295 ( -5.098 -0.000 7.068) 8.715 5.466 ( -0.100 -0.000 -4.770) 4.771 5.538 ( 3.157 0.000 1.443) 3.472 5.571 ( 2.720 0.000 -1.234) 2.986 5.791 ( -4.585 -0.000 3.818) 5.966 5.842 ( -5.526 -0.000 -4.471) 7.108 5.925 ( 0.791 0.000 0.549) 0.962 5.980 ( 1.816 0.000 -7.475) 7.692 6.102 ( 5.971 0.000 -3.608) 6.976 6.167 ( 4.053 0.000 1.223) 4.233 6.204 ( 5.078 0.000 -3.001) 5.899 6.490 ( -14.521 -0.000 -8.010) 16.584 6.888 ( 1.006 0.000 3.356) 3.504 6.922 ( 3.759 0.000 -2.420) 4.471 6.969 ( -0.291 -0.000 -3.019) 3.033 7.162 ( 3.410 0.000 16.168) 16.524 7.310 ( 6.539 0.000 -6.591) 9.284 7.425 ( 2.860 0.000 10.282) 10.672 7.594 ( 0.062 0.000 4.770) 4.770 7.762 ( 3.143 0.000 9.214) 9.736 7.972 ( 6.721 0.000 -8.757) 11.039 7.980 ( -0.941 -0.000 -3.354) 3.484 8.029 ( 2.184 0.000 -5.163) 5.606 8.110 ( -2.192 -0.000 4.251) 4.783 8.219 ( -2.611 -0.000 3.183) 4.117 8.272 ( -10.601 -0.000 -2.371) 10.863 8.420 ( -1.998 -0.000 -9.733) 9.936 8.523 ( 5.092 0.000 4.763) 6.973 8.742 ( 1.076 0.000 -7.853) 7.926 8.827 ( -0.042 -0.000 0.460) 0.462 8.830 ( -4.786 -0.000 -11.150) 12.134 9.148 ( 6.503 0.000 -10.002) 11.930 9.297 ( 1.389 0.000 5.328) 5.506 9.475 ( 1.760 0.000 -0.791) 1.929 9.673 ( 0.316 0.000 0.453) 0.552 9.726 ( 15.890 0.000 -7.889) 17.741 10.848 ( -1.079 -0.000 4.658) 4.781 11.091 ( -3.245 -0.000 -2.235) 3.940 11.123 ( -14.211 -0.000 16.251) 21.588 11.536 ( -1.315 -0.000 -3.425) 3.669 12.525 ( 1.050 0.000 7.682) 7.753 12.643 ( 15.255 0.000 -0.445) 15.262 13.813 ( -8.871 -0.000 7.072) 11.345 13.977 ( -4.983 -0.000 -0.815) 5.050 14.155 ( 0.398 0.000 0.052) 0.401 14.164 ( 0.536 0.000 -0.181) 0.566 15.802 ( -5.321 -0.000 -0.275) 5.328 15.817 ( -1.963 -0.000 -1.927) 2.751 15.902 ( 2.554 0.000 -0.979) 2.735 15.925 ( -0.037 -0.000 -0.460) 0.461 ======================= Grid point 118 (39/93) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 16.584 -9.153 12.562) 22.729 1.176 ( 19.152 -11.662 20.517) 30.393 1.726 ( 31.152 -18.349 20.640) 41.630 1.926 ( 8.437 3.778 -14.355) 17.074 2.110 ( 13.660 -3.312 -14.203) 19.982 2.570 ( 9.054 -1.628 13.391) 16.247 2.842 ( 5.050 10.560 2.333) 11.936 2.975 ( -3.395 1.161 -3.934) 5.324 3.077 ( -0.446 2.466 -3.674) 4.447 3.290 ( -4.643 0.039 -1.968) 5.043 3.346 ( -3.250 -7.730 1.947) 8.609 3.459 ( -1.913 -3.122 -3.463) 5.040 3.775 ( 9.603 6.343 5.257) 12.653 3.869 ( -5.983 0.695 2.387) 6.479 3.989 ( -7.989 -6.653 7.629) 12.895 4.167 ( -9.121 0.682 -1.854) 9.332 4.279 ( -2.061 2.168 -5.689) 6.427 4.475 ( -3.797 -2.885 1.160) 4.908 4.622 ( 5.508 3.289 3.656) 7.384 4.711 ( 2.121 -7.234 -2.756) 8.027 4.859 ( 0.086 -6.556 -9.059) 11.182 4.921 ( -0.631 -4.654 -3.855) 6.076 5.266 ( -3.979 -1.571 -0.502) 4.307 5.425 ( 0.467 5.162 -5.951) 7.892 5.542 ( 0.323 1.682 2.696) 3.194 5.579 ( -1.966 0.378 2.601) 3.282 5.753 ( 2.663 0.941 1.913) 3.411 5.773 ( -3.954 1.994 -5.356) 6.950 5.931 ( -0.854 -0.164 -0.471) 0.989 5.992 ( -1.270 0.810 -4.473) 4.720 6.120 ( 5.586 2.768 -4.244) 7.541 6.201 ( 1.141 0.379 2.422) 2.704 6.231 ( 3.849 0.345 -7.401) 8.349 6.364 ( -3.919 0.277 -1.391) 4.167 6.852 ( 0.115 4.107 3.420) 5.346 6.899 ( -4.842 7.171 0.600) 8.674 6.936 ( 0.750 0.606 3.030) 3.180 7.173 ( 2.726 0.519 10.608) 10.965 7.376 ( 2.471 0.937 2.434) 3.593 7.432 ( 8.167 3.289 -5.408) 10.332 7.563 ( -4.249 3.200 9.645) 11.015 7.792 ( 1.373 4.952 -2.042) 5.529 7.871 ( 4.841 1.677 3.775) 6.363 7.966 ( -9.950 2.747 -0.014) 10.322 8.024 ( -2.329 0.302 -1.287) 2.678 8.068 ( -8.029 7.750 1.074) 11.211 8.167 ( 4.358 -2.658 -0.083) 5.106 8.204 ( 0.114 0.577 2.166) 2.244 8.435 ( -1.058 -3.690 -6.496) 7.545 8.551 ( 7.909 9.648 -2.472) 12.718 8.640 ( 0.715 -2.982 -0.470) 3.102 8.792 ( -3.190 -1.725 -5.284) 6.409 8.883 ( -1.002 -1.445 -3.468) 3.888 9.179 ( 4.690 1.561 -9.634) 10.828 9.289 ( -1.107 -0.151 4.403) 4.542 9.597 ( 0.330 -5.669 -5.324) 7.784 9.764 ( 3.917 -10.790 4.204) 12.224 10.054 ( 7.898 -15.309 -11.406) 20.661 10.775 ( -4.814 3.915 9.023) 10.950 10.956 ( 1.689 3.882 7.433) 8.554 11.165 ( -10.987 -6.065 -1.010) 12.591 11.505 ( -0.704 2.412 -4.150) 4.851 12.449 ( -0.337 4.740 13.134) 13.967 12.878 ( 14.219 -6.823 -0.488) 15.779 13.753 ( -0.336 1.483 0.669) 1.661 13.942 ( -5.481 -1.911 0.028) 5.804 14.144 ( 1.079 -0.254 1.016) 1.504 14.242 ( 1.999 -5.744 -1.245) 6.208 15.684 ( -6.597 6.508 -0.574) 9.285 15.700 ( 0.333 8.583 -1.387) 8.700 15.930 ( 2.055 -0.941 -0.314) 2.282 15.953 ( -1.271 -1.682 -0.674) 2.213 ======================= Grid point 119 (40/93) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 14.394 -15.333 3.217) 21.275 1.592 ( 17.208 -15.150 14.140) 26.937 1.939 ( 7.169 1.812 -11.985) 14.082 2.241 ( 11.744 -1.075 -4.836) 12.746 2.351 ( 25.606 -17.454 12.359) 33.362 2.654 ( 7.113 6.291 4.602) 10.552 2.741 ( 7.271 3.379 5.748) 9.866 2.939 ( 4.445 4.734 1.639) 6.698 3.057 ( -2.876 -3.277 -8.222) 9.307 3.217 ( -8.302 1.330 -3.399) 9.069 3.425 ( -4.991 -5.281 4.012) 8.301 3.531 ( -0.031 -5.814 -1.855) 6.102 3.731 ( 7.157 6.070 6.953) 11.680 3.802 ( -4.833 1.486 1.298) 5.220 3.931 ( -10.468 3.691 -3.306) 11.581 4.103 ( -11.851 -4.062 9.300) 15.603 4.212 ( -2.325 0.043 -4.293) 4.882 4.515 ( -5.338 -5.975 -1.285) 8.114 4.620 ( 6.629 2.955 -0.585) 7.281 4.847 ( 0.293 -1.773 -2.276) 2.900 4.941 ( -4.342 -5.194 -2.106) 7.090 4.949 ( -1.688 -1.391 3.666) 4.269 5.238 ( -1.705 5.526 -13.874) 15.031 5.333 ( -0.092 0.486 -1.991) 2.052 5.490 ( -6.281 2.916 1.793) 7.154 5.543 ( 3.321 1.066 1.690) 3.876 5.740 ( 3.227 0.988 -0.126) 3.378 5.793 ( 2.533 -0.075 -0.818) 2.663 5.876 ( -3.873 3.235 -1.013) 5.147 5.950 ( -3.635 -0.767 -2.356) 4.399 6.141 ( 4.645 -0.032 -7.755) 9.040 6.211 ( 1.578 -1.504 2.210) 3.104 6.251 ( 6.316 3.349 -4.429) 8.410 6.436 ( 2.795 -5.157 -3.039) 6.607 6.671 ( -2.425 11.390 1.524) 11.745 6.764 ( 0.606 6.048 2.334) 6.511 6.924 ( -0.462 1.891 3.138) 3.693 7.164 ( -1.042 7.174 2.424) 7.643 7.252 ( 1.262 7.496 8.989) 11.772 7.417 ( -3.254 2.975 0.640) 4.455 7.495 ( 1.307 2.221 2.572) 3.641 7.601 ( 3.808 17.029 -4.689) 18.069 7.784 ( -7.464 3.547 1.107) 8.338 7.897 ( -4.329 4.520 1.484) 6.432 7.962 ( -1.774 -4.025 5.152) 6.774 8.003 ( -5.016 -2.603 4.902) 7.482 8.187 ( -0.271 -1.287 4.128) 4.332 8.317 ( 4.721 -5.504 -0.807) 7.296 8.470 ( 7.308 2.757 1.863) 8.030 8.553 ( 1.287 -4.244 -10.424) 11.328 8.694 ( -3.094 -4.114 -7.398) 9.013 8.802 ( -0.740 -0.506 -1.959) 2.155 8.898 ( 0.110 -1.135 -1.971) 2.277 9.208 ( 3.339 -0.172 -6.998) 7.756 9.297 ( -0.794 -2.413 5.505) 6.063 9.679 ( -0.073 -4.499 -5.187) 6.867 10.030 ( 4.597 -12.708 4.460) 14.231 10.327 ( 2.991 -10.171 -4.499) 11.516 10.684 ( -2.359 1.925 6.472) 7.152 10.922 ( 2.727 3.099 4.689) 6.248 11.126 ( -10.951 -1.782 -3.893) 11.758 11.440 ( -0.179 4.517 -4.477) 6.362 12.379 ( -2.080 2.032 15.386) 15.658 13.109 ( 11.961 -4.995 -1.679) 13.070 13.735 ( 0.581 1.349 -5.181) 5.386 13.966 ( -1.013 -4.780 0.190) 4.890 14.182 ( 2.196 -2.354 2.872) 4.315 14.392 ( 3.416 -8.234 -2.437) 9.241 15.467 ( -7.436 10.392 0.110) 12.779 15.545 ( -0.253 9.344 -1.762) 9.512 15.949 ( -0.196 -0.749 0.491) 0.917 15.989 ( 0.781 -2.292 -0.508) 2.474 ======================= Grid point 120 (41/93) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 11.929 -13.825 -0.813) 18.278 1.924 ( 7.072 -3.080 -2.609) 8.143 2.064 ( 14.972 -9.321 4.576) 18.220 2.304 ( 8.540 5.740 6.003) 11.913 2.603 ( 7.486 1.657 -3.347) 8.366 2.732 ( 6.877 6.979 -0.243) 9.802 2.800 ( 13.410 -7.135 5.980) 16.325 2.910 ( 3.100 0.485 2.743) 4.167 3.066 ( -5.482 1.822 -4.675) 7.432 3.139 ( -4.896 -2.955 -3.727) 6.826 3.453 ( -5.812 -4.279 4.822) 8.680 3.618 ( -1.148 -1.828 -1.111) 2.428 3.697 ( 0.992 5.394 8.353) 9.993 3.720 ( -2.261 1.147 -0.113) 2.538 3.816 ( -6.961 -3.074 -3.799) 8.506 4.041 ( -7.096 -1.154 4.723) 8.602 4.257 ( -1.897 -5.944 4.329) 7.594 4.573 ( -6.434 -6.696 -2.404) 9.592 4.640 ( 4.878 2.257 -3.795) 6.579 4.783 ( -5.973 1.611 5.483) 8.267 4.861 ( -1.591 4.741 0.264) 5.008 5.010 ( -6.250 -1.465 0.030) 6.420 5.125 ( -0.852 1.248 -5.358) 5.567 5.373 ( -1.857 -2.005 -2.935) 4.011 5.416 ( -0.230 0.359 -0.554) 0.699 5.529 ( -0.090 3.091 -2.536) 3.999 5.736 ( 0.309 3.821 -0.339) 3.849 5.777 ( 0.116 -0.800 -0.882) 1.196 5.847 ( 4.966 -0.272 -0.243) 4.979 6.002 ( -0.257 -6.209 -1.227) 6.334 6.167 ( 2.774 11.778 -4.060) 12.763 6.203 ( 5.749 -0.263 -6.606) 8.761 6.279 ( 1.842 -3.916 1.171) 4.484 6.382 ( 6.331 15.960 -0.240) 17.171 6.579 ( -0.638 -0.272 -1.585) 1.730 6.709 ( 2.493 2.694 -6.404) 7.381 6.843 ( -1.209 6.399 0.576) 6.538 6.926 ( -4.898 8.887 0.413) 10.156 7.240 ( 1.525 2.502 4.483) 5.355 7.280 ( -3.351 4.417 6.283) 8.380 7.397 ( 1.707 5.631 1.353) 6.038 7.466 ( 1.667 4.264 1.900) 4.957 7.686 ( -0.870 4.216 6.675) 7.943 7.813 ( -6.708 -0.864 -4.717) 8.246 7.981 ( -3.855 -1.533 3.920) 5.708 8.022 ( -3.589 -3.491 5.468) 7.414 8.189 ( -2.418 -0.257 8.373) 8.719 8.415 ( -2.603 -3.680 -2.742) 5.276 8.516 ( 4.435 -0.749 -0.031) 4.498 8.652 ( 3.939 -4.103 -8.688) 10.384 8.739 ( -1.083 -3.291 -8.724) 9.387 8.816 ( 2.203 -1.328 -3.523) 4.362 8.913 ( -1.582 -0.887 1.656) 2.456 9.217 ( -0.964 0.147 -0.742) 1.225 9.384 ( 6.428 -3.851 3.320) 8.196 9.753 ( 1.176 -3.136 -4.233) 5.398 10.264 ( 3.352 -9.357 4.416) 10.876 10.452 ( -2.286 -3.159 3.643) 5.336 10.689 ( 2.213 -3.173 -1.169) 4.042 10.890 ( 0.475 2.367 2.184) 3.255 11.044 ( -8.055 0.324 -4.122) 9.054 11.347 ( 0.033 5.797 -4.097) 7.099 12.332 ( -4.225 0.126 16.111) 16.656 13.266 ( 9.271 -1.605 -2.613) 9.765 13.712 ( -1.398 0.690 -6.582) 6.764 14.073 ( 2.667 -5.015 -5.462) 7.881 14.278 ( 4.504 -5.689 6.747) 9.908 14.583 ( 4.579 -8.819 -3.569) 10.559 15.194 ( -7.918 12.080 2.427) 14.646 15.366 ( -1.776 9.931 -1.903) 10.267 15.966 ( -0.108 -1.350 1.091) 1.739 16.034 ( 0.622 -1.974 -0.714) 2.190 ======================= Grid point 121 (42/93) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 5.571 -1.912 -0.579) 5.918 1.991 ( 8.219 -0.458 -1.871) 8.442 2.189 ( 6.286 6.535 6.317) 11.051 2.415 ( 9.679 -6.190 1.040) 11.536 2.603 ( 4.584 9.706 1.410) 10.826 2.641 ( -1.273 1.182 -7.234) 7.440 2.873 ( -1.181 2.545 3.821) 4.740 2.929 ( -0.127 5.713 1.340) 5.870 3.028 ( 2.621 -6.746 2.839) 7.775 3.232 ( 4.676 -3.169 -6.365) 8.510 3.473 ( -7.739 -6.599 2.947) 10.589 3.547 ( -7.216 2.052 5.551) 9.332 3.591 ( -1.948 1.213 1.877) 2.965 3.712 ( -3.216 -0.424 -1.042) 3.407 3.878 ( -0.690 -4.820 -0.218) 4.874 4.023 ( -0.614 0.392 -1.663) 1.815 4.351 ( -4.108 -5.008 9.431) 11.441 4.568 ( -0.855 2.367 0.639) 2.596 4.609 ( 0.051 1.799 -2.779) 3.311 4.777 ( 4.547 6.249 -2.174) 8.028 4.832 ( -8.029 -13.921 5.845) 17.100 4.995 ( -6.786 -7.271 -0.600) 9.963 5.133 ( -1.163 -0.695 2.735) 3.053 5.343 ( -4.201 -1.086 1.846) 4.716 5.415 ( -0.801 2.253 -3.882) 4.559 5.503 ( 1.850 -1.383 -3.304) 4.031 5.724 ( 3.610 -1.444 -1.949) 4.349 5.807 ( -0.157 -1.027 -4.119) 4.248 5.871 ( 0.880 9.049 -0.749) 9.122 5.955 ( 4.362 6.152 -2.730) 8.020 6.091 ( 0.674 2.721 -3.819) 4.737 6.107 ( 6.905 14.576 2.147) 16.271 6.284 ( 8.296 0.287 -4.227) 9.315 6.359 ( 0.331 -2.225 -0.866) 2.410 6.581 ( -0.132 -1.147 1.966) 2.280 6.610 ( -2.044 9.083 -5.032) 10.583 6.700 ( -0.619 3.140 -3.564) 4.790 6.845 ( 0.849 2.476 -8.154) 8.564 7.149 ( -3.026 2.338 2.939) 4.823 7.267 ( 1.810 3.063 5.593) 6.628 7.387 ( 0.309 -2.219 7.910) 8.221 7.436 ( 1.299 -1.152 -1.380) 2.218 7.602 ( -2.749 4.959 3.374) 6.597 7.787 ( -5.144 -3.328 -2.080) 6.470 7.967 ( -1.801 -0.551 4.722) 5.084 8.049 ( -1.988 -2.439 3.694) 4.853 8.165 ( -2.914 -0.440 11.275) 11.654 8.409 ( -8.083 -2.048 -3.672) 9.111 8.548 ( 0.083 -0.093 0.431) 0.448 8.743 ( 2.221 -2.116 -6.854) 7.509 8.807 ( 5.676 -2.380 -10.572) 12.233 8.874 ( -1.747 -2.584 -0.529) 3.164 8.902 ( 1.511 0.506 1.720) 2.344 9.203 ( -1.333 -0.135 -0.210) 1.356 9.514 ( 10.034 -1.289 4.280) 10.985 9.808 ( 2.552 -1.109 -2.101) 3.487 10.413 ( 0.920 -4.080 4.591) 6.211 10.437 ( -3.461 -1.124 3.796) 5.258 10.766 ( -0.455 0.850 -4.313) 4.419 10.869 ( -1.727 -4.306 -0.302) 4.649 10.994 ( -0.732 0.298 -3.232) 3.328 11.250 ( 0.208 4.871 -2.717) 5.582 12.290 ( -6.294 -0.873 15.997) 17.213 13.346 ( 7.499 1.140 -4.518) 8.828 13.690 ( -1.769 -0.001 -5.612) 5.884 14.153 ( 2.208 -1.537 -7.478) 7.947 14.463 ( 5.716 -8.023 6.599) 11.857 14.743 ( 2.817 -1.207 -4.461) 5.412 14.944 ( -5.262 4.547 5.445) 8.832 15.173 ( -3.062 8.665 -1.876) 9.380 15.989 ( 0.072 -1.121 1.236) 1.670 16.066 ( 0.312 -1.105 -0.767) 1.381 ======================= Grid point 122 (43/93) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -1.054 6.961 1.613) 7.222 2.002 ( 5.604 4.716 3.242) 8.010 2.183 ( 5.830 3.627 -0.891) 6.924 2.382 ( -5.005 14.531 2.405) 15.556 2.416 ( -3.557 2.843 -1.037) 4.670 2.652 ( -2.461 2.799 -5.411) 6.571 2.796 ( -2.780 2.649 4.850) 6.186 2.916 ( 3.661 -2.009 2.379) 4.806 3.141 ( 2.092 -2.312 1.064) 3.295 3.175 ( 0.829 6.106 -4.746) 7.778 3.466 ( -2.362 0.311 9.340) 9.639 3.576 ( -0.873 1.038 2.473) 2.820 3.714 ( -2.197 -7.884 -2.416) 8.534 3.731 ( 0.599 -15.262 -1.800) 15.379 3.943 ( -1.950 -3.082 -3.674) 5.177 3.994 ( 2.569 0.373 -1.343) 2.923 4.294 ( -8.364 0.918 4.590) 9.585 4.511 ( -4.076 4.464 -3.182) 6.831 4.635 ( 3.367 -2.494 9.773) 10.634 4.686 ( 3.203 8.422 -1.220) 9.093 4.997 ( 0.697 -2.587 4.845) 5.537 5.113 ( -8.142 -13.628 4.363) 16.463 5.190 ( -0.651 -10.243 -1.590) 10.386 5.345 ( -2.429 -1.682 -1.127) 3.162 5.435 ( 1.290 -5.890 2.178) 6.411 5.542 ( 1.995 3.377 -3.918) 5.544 5.662 ( -0.993 3.064 -6.491) 7.246 5.754 ( 4.419 9.222 4.978) 11.373 5.832 ( 8.284 5.464 -3.138) 10.408 5.920 ( 2.866 -1.330 -4.235) 5.284 5.962 ( 2.023 -0.452 -1.885) 2.802 6.121 ( -1.015 -0.923 -4.872) 5.061 6.283 ( -0.567 6.207 -2.088) 6.574 6.317 ( 0.097 5.554 -1.906) 5.873 6.475 ( -1.992 1.048 -9.908) 10.161 6.651 ( 4.063 -2.490 1.374) 4.959 6.743 ( 3.841 -4.670 1.712) 6.284 6.783 ( -1.178 3.123 -7.338) 8.061 7.096 ( -3.619 0.732 4.134) 5.542 7.240 ( 0.092 0.616 3.098) 3.160 7.417 ( -4.651 5.792 -3.221) 8.097 7.430 ( 2.054 -2.304 10.870) 11.300 7.533 ( -1.084 -3.010 0.906) 3.325 7.827 ( -3.501 -4.274 -1.545) 5.737 7.979 ( 0.303 -1.455 4.877) 5.099 8.069 ( -1.015 -1.535 1.866) 2.621 8.172 ( -0.136 -2.490 12.284) 12.535 8.351 ( -9.600 -0.963 -2.689) 10.016 8.516 ( -2.134 2.354 3.562) 4.773 8.780 ( 3.767 0.915 -8.792) 9.608 8.834 ( -3.567 1.667 2.954) 4.923 8.900 ( 7.095 -0.706 -12.081) 14.028 8.950 ( 1.747 -1.892 -1.234) 2.856 9.197 ( -1.430 -0.397 -3.087) 3.425 9.592 ( 10.182 3.606 7.188) 12.975 9.836 ( 3.243 1.112 1.405) 3.705 10.387 ( -3.630 0.521 0.327) 3.682 10.501 ( 1.544 -2.584 5.521) 6.288 10.656 ( -8.217 3.938 -5.377) 10.580 10.957 ( 1.512 1.289 4.253) 4.694 11.021 ( 2.967 -5.330 -9.015) 10.885 11.217 ( 1.337 -1.256 -0.927) 2.056 12.245 ( -7.637 -1.415 15.095) 16.976 13.367 ( 5.235 3.506 -9.381) 11.300 13.682 ( -0.264 -0.350 -2.372) 2.412 14.178 ( 1.865 0.668 -5.962) 6.283 14.448 ( -6.369 10.492 9.790) 15.700 14.758 ( 4.019 -0.232 -4.365) 5.938 14.941 ( -0.350 -1.828 3.726) 4.165 15.119 ( 0.756 -6.741 -2.660) 7.286 16.002 ( 0.245 -0.142 1.156) 1.191 16.076 ( 0.133 0.199 -0.752) 0.789 ======================= Grid point 123 (44/93) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -6.537 14.432 3.927) 16.323 1.949 ( -4.263 14.342 2.455) 15.162 2.016 ( 1.292 7.535 -4.060) 8.656 2.171 ( -2.682 5.311 -0.465) 5.968 2.353 ( -0.707 0.115 3.729) 3.797 2.553 ( -3.463 4.778 0.764) 5.950 2.680 ( -5.829 7.290 6.829) 11.565 2.902 ( 0.371 3.200 3.653) 4.870 3.104 ( -2.310 2.050 -7.271) 7.900 3.268 ( 7.146 -4.729 -3.855) 9.397 3.442 ( -3.785 -0.328 11.264) 11.888 3.543 ( -1.626 1.168 4.011) 4.483 3.684 ( -0.969 2.133 -1.931) 3.036 3.998 ( 3.490 -1.401 -4.846) 6.134 4.039 ( 2.550 -7.699 -3.158) 8.703 4.098 ( 5.933 -5.607 -3.659) 8.946 4.241 ( -2.532 -2.236 2.476) 4.188 4.434 ( -7.174 -3.377 -4.194) 8.970 4.517 ( -2.084 4.872 1.078) 5.408 4.757 ( 2.096 -7.504 11.109) 13.569 5.011 ( 1.196 0.638 4.384) 4.588 5.212 ( -0.144 -0.287 -2.135) 2.159 5.270 ( 0.746 1.872 -0.996) 2.248 5.400 ( -1.163 7.195 -4.366) 8.496 5.484 ( 5.220 -8.558 3.600) 10.651 5.574 ( 6.309 -2.647 2.258) 7.205 5.604 ( -0.498 5.456 1.908) 5.802 5.762 ( -1.617 -6.488 -2.708) 7.214 5.899 ( -0.184 1.200 1.103) 1.641 5.909 ( 2.020 -13.800 -4.041) 14.521 6.065 ( -2.296 -1.585 -7.883) 8.362 6.115 ( 2.607 5.120 -2.437) 6.240 6.164 ( -4.125 0.779 -0.746) 4.263 6.215 ( 5.554 6.360 -4.864) 9.744 6.521 ( -2.751 -9.805 -12.810) 16.365 6.618 ( -5.121 4.818 -8.189) 10.793 6.816 ( 4.519 -4.681 4.824) 8.099 6.895 ( 2.939 -7.667 4.155) 9.202 7.056 ( -2.715 0.021 5.773) 6.379 7.221 ( -0.977 1.132 2.029) 2.520 7.296 ( -3.670 2.658 0.381) 4.548 7.511 ( 3.023 -2.866 9.008) 9.925 7.583 ( -1.738 -4.278 3.780) 5.967 7.848 ( -5.815 -3.712 -1.412) 7.042 8.003 ( 1.055 -0.516 3.662) 3.846 8.084 ( -1.054 -1.193 1.474) 2.170 8.240 ( 3.280 -2.116 8.625) 9.468 8.272 ( -7.595 0.433 -1.564) 7.767 8.439 ( -1.326 4.316 6.751) 8.121 8.765 ( -2.525 1.886 1.306) 3.411 8.791 ( 3.539 2.474 -12.568) 13.289 8.954 ( 4.139 0.405 -9.811) 10.656 8.984 ( 4.101 1.585 -5.081) 6.719 9.179 ( -2.956 0.562 -7.395) 7.984 9.582 ( 7.821 6.571 10.987) 15.002 9.829 ( 2.666 2.685 4.969) 6.245 10.313 ( -1.917 6.256 -3.065) 7.225 10.506 ( -5.099 3.443 -2.534) 6.654 10.570 ( -1.974 -3.973 2.941) 5.323 10.895 ( 0.573 4.583 3.722) 5.931 11.177 ( 3.667 -7.525 -6.406) 10.541 11.302 ( 2.932 -5.041 -1.625) 6.054 12.202 ( -7.504 -2.004 13.294) 15.396 13.307 ( 1.345 7.378 -15.694) 17.394 13.702 ( 2.849 -0.577 3.080) 4.235 14.148 ( -1.893 6.356 4.394) 7.955 14.214 ( -4.683 4.228 5.455) 8.340 14.632 ( -1.335 10.784 -3.903) 11.546 15.131 ( 2.999 -13.428 0.922) 13.789 15.284 ( 2.146 -8.500 -2.904) 9.235 15.999 ( 0.438 0.833 0.843) 1.263 16.061 ( 0.057 1.573 -0.700) 1.722 ======================= Grid point 124 (45/93) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -6.933 18.006 7.590) 20.734 1.518 ( -5.637 23.609 2.741) 24.427 1.994 ( 4.029 3.562 -12.171) 13.306 2.051 ( -3.988 3.315 -9.180) 10.544 2.300 ( -4.664 21.052 16.759) 27.310 2.402 ( 0.673 -4.019 8.280) 9.228 2.498 ( -6.506 4.690 8.207) 11.475 2.887 ( 1.649 -0.999 4.145) 4.571 3.057 ( -2.974 0.084 -7.073) 7.673 3.354 ( 2.975 -0.875 -3.965) 5.034 3.422 ( -4.655 -2.182 10.636) 11.814 3.523 ( 0.063 0.659 -0.713) 0.973 3.664 ( 2.759 3.384 0.816) 4.442 4.020 ( 1.102 -0.771 -7.599) 7.717 4.123 ( 0.353 2.685 -3.921) 4.765 4.135 ( 5.905 -1.047 -3.828) 7.114 4.322 ( -6.383 -7.849 1.508) 10.228 4.422 ( 4.895 -0.694 8.161) 9.542 4.632 ( -2.280 -11.650 -12.827) 17.477 4.919 ( 3.068 7.290 6.823) 10.446 4.985 ( 1.233 -9.177 7.542) 11.942 5.101 ( -0.832 11.425 -7.641) 13.770 5.240 ( 1.060 -1.794 0.827) 2.242 5.374 ( 0.534 -3.155 5.220) 6.123 5.470 ( -1.801 3.963 0.835) 4.432 5.602 ( 5.074 1.296 -2.225) 5.690 5.715 ( 4.044 -3.146 -2.268) 5.603 5.757 ( -1.091 5.667 -1.678) 6.010 5.976 ( 1.194 -9.220 -2.606) 9.655 5.991 ( -4.060 -1.268 -0.177) 4.257 6.084 ( -2.551 -0.299 -1.400) 2.925 6.085 ( 1.813 4.741 -5.313) 7.348 6.161 ( 0.703 5.189 -4.065) 6.629 6.309 ( 0.223 -23.804 -1.714) 23.867 6.444 ( -5.056 5.473 -5.541) 9.286 6.786 ( 5.551 -12.486 -10.454) 17.205 6.974 ( 2.172 -10.243 2.749) 10.825 7.041 ( -3.532 -5.873 7.521) 10.175 7.053 ( 0.740 -3.247 1.850) 3.810 7.188 ( -1.297 2.188 3.789) 4.563 7.239 ( -4.376 -1.135 -2.565) 5.198 7.560 ( 1.957 -1.326 9.986) 10.262 7.642 ( -6.006 -5.251 10.007) 12.798 7.886 ( -1.263 -5.174 -1.585) 5.557 8.032 ( 2.954 -0.990 3.993) 5.065 8.091 ( -1.203 -0.992 1.658) 2.276 8.203 ( -3.818 0.955 -1.192) 4.112 8.265 ( 2.475 2.785 6.237) 7.265 8.348 ( -0.388 4.673 6.609) 8.104 8.692 ( -0.437 5.219 -8.707) 10.161 8.796 ( 0.955 -0.946 -5.527) 5.688 8.948 ( 0.544 4.082 -4.345) 5.987 8.988 ( 7.558 2.948 -12.580) 14.969 9.112 ( -5.312 2.365 -10.876) 12.333 9.528 ( 4.523 5.973 12.244) 14.354 9.795 ( 1.621 3.422 7.288) 8.213 10.126 ( -2.429 11.865 -4.528) 12.930 10.391 ( -2.784 6.153 -6.988) 9.718 10.642 ( -0.086 -4.832 5.556) 7.363 10.842 ( -0.309 1.144 7.563) 7.655 11.337 ( 2.877 -6.896 -6.202) 9.710 11.420 ( 3.194 -4.520 -3.600) 6.602 12.184 ( -5.089 -3.023 10.508) 12.061 13.129 ( -1.698 12.214 -16.135) 20.308 13.758 ( 5.331 -1.493 8.686) 10.300 13.989 ( -6.295 3.503 12.164) 14.138 14.182 ( 0.903 1.050 -1.255) 1.869 14.429 ( -1.985 10.122 -3.280) 10.824 15.395 ( 1.973 -13.478 -1.120) 13.667 15.435 ( 1.027 -6.809 -2.229) 7.238 15.982 ( 0.259 1.648 0.276) 1.691 16.029 ( 0.238 1.926 -0.681) 2.057 ======================= Grid point 125 (46/93) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.000 18.814 12.527) 22.603 1.061 ( 0.000 24.396 7.353) 25.480 1.805 ( 0.000 29.489 27.882) 40.584 1.896 ( 0.000 7.619 -15.400) 17.182 2.007 ( 0.000 3.857 -17.990) 18.398 2.398 ( 0.000 2.251 13.674) 13.858 2.521 ( -0.000 -10.437 7.835) 13.050 2.970 ( -0.000 -6.813 2.001) 7.101 3.056 ( -0.000 -1.488 -7.492) 7.638 3.373 ( 0.000 2.781 -5.272) 5.960 3.443 ( -0.000 -4.039 13.676) 14.260 3.498 ( 0.000 1.025 -1.224) 1.596 3.596 ( 0.000 5.545 -2.068) 5.918 4.038 ( 0.000 3.833 -0.325) 3.847 4.067 ( -0.000 -2.967 -10.239) 10.660 4.271 ( -0.000 -8.170 -6.624) 10.518 4.408 ( -0.000 -5.098 5.000) 7.140 4.455 ( 0.000 3.305 8.796) 9.396 4.667 ( 0.000 14.299 4.413) 14.965 4.749 ( -0.000 -2.601 -15.320) 15.539 4.871 ( 0.000 10.872 -3.929) 11.560 5.303 ( -0.000 -17.627 4.846) 18.281 5.327 ( -0.000 -6.198 -2.023) 6.520 5.365 ( 0.000 7.061 -5.200) 8.770 5.417 ( 0.000 0.666 15.204) 15.219 5.612 ( 0.000 6.000 -13.671) 14.929 5.629 ( -0.000 -0.096 -0.563) 0.571 5.807 ( -0.000 -6.534 1.776) 6.771 5.978 ( -0.000 -0.302 -2.133) 2.154 6.009 ( 0.000 4.273 -3.273) 5.383 6.057 ( 0.000 4.418 -4.058) 5.999 6.072 ( 0.000 0.458 -3.752) 3.780 6.167 ( -0.000 -3.096 -5.930) 6.689 6.386 ( -0.000 -5.398 1.769) 5.680 6.707 ( -0.000 -18.322 -2.761) 18.529 6.940 ( -0.000 -2.248 -2.205) 3.149 7.016 ( 0.000 3.534 4.474) 5.701 7.090 ( 0.000 4.509 8.454) 9.581 7.177 ( -0.000 -7.203 -3.465) 7.994 7.188 ( -0.000 -6.603 -3.107) 7.298 7.335 ( -0.000 -13.951 -0.860) 13.977 7.625 ( -0.000 -4.412 12.091) 12.871 7.683 ( -0.000 -4.338 9.076) 10.060 7.976 ( -0.000 -4.500 -1.233) 4.666 8.079 ( -0.000 -1.331 4.924) 5.100 8.102 ( 0.000 0.119 4.172) 4.174 8.165 ( 0.000 0.676 2.086) 2.193 8.214 ( 0.000 1.972 6.313) 6.614 8.305 ( -0.000 -1.137 1.450) 1.843 8.577 ( 0.000 7.122 -12.859) 14.699 8.788 ( 0.000 6.322 -0.436) 6.337 8.882 ( -0.000 -0.147 -5.966) 5.968 8.959 ( 0.000 5.437 -13.093) 14.177 9.063 ( -0.000 -1.180 -10.102) 10.171 9.447 ( 0.000 5.974 9.777) 11.457 9.744 ( 0.000 3.325 6.039) 6.894 9.876 ( 0.000 14.780 -4.151) 15.352 10.212 ( 0.000 13.297 -12.049) 17.944 10.734 ( -0.000 -5.570 7.031) 8.970 10.857 ( -0.000 -3.088 10.342) 10.794 11.457 ( -0.000 -4.690 -6.038) 7.646 11.500 ( -0.000 -2.143 -5.928) 6.303 12.224 ( -0.000 -4.613 7.145) 8.504 12.883 ( 0.000 13.691 -10.608) 17.320 13.850 ( -0.000 -4.911 14.386) 15.201 13.925 ( -0.000 -0.379 6.660) 6.670 14.173 ( 0.000 0.721 -0.088) 0.726 14.252 ( 0.000 8.521 -2.743) 8.952 15.543 ( -0.000 -5.627 0.007) 5.627 15.627 ( -0.000 -11.279 -1.643) 11.399 15.942 ( 0.000 2.732 0.340) 2.753 16.009 ( 0.000 0.690 -1.428) 1.586 ======================= Grid point 128 (47/93) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 21.135 0.000 12.756) 24.686 1.231 ( 19.361 0.000 25.639) 32.128 1.899 ( 34.827 0.000 10.305) 36.320 2.065 ( 10.365 0.000 -15.503) 18.649 2.237 ( 19.353 0.000 -11.415) 22.469 2.618 ( 4.933 0.000 14.142) 14.977 2.895 ( -4.454 -0.000 -7.854) 9.029 3.006 ( 0.982 0.000 4.860) 4.958 3.136 ( 4.191 0.000 -2.870) 5.079 3.205 ( -4.996 -0.000 1.265) 5.154 3.278 ( -4.253 -0.000 1.199) 4.419 3.383 ( -3.820 -0.000 -6.482) 7.524 3.805 ( -5.756 -0.000 4.076) 7.053 3.876 ( -2.613 -0.000 12.507) 12.777 3.942 ( 8.478 0.000 2.228) 8.766 4.087 ( -9.492 -0.000 -2.014) 9.704 4.259 ( -8.379 -0.000 0.168) 8.380 4.436 ( 0.028 0.000 -0.144) 0.146 4.639 ( 1.265 0.000 -5.673) 5.812 4.719 ( 7.218 0.000 4.098) 8.300 4.777 ( 0.616 0.000 -8.563) 8.585 4.946 ( 5.315 0.000 -2.646) 5.937 5.226 ( 0.732 0.000 -4.204) 4.267 5.482 ( 0.540 0.000 -7.542) 7.561 5.524 ( -6.071 -0.000 -0.376) 6.083 5.558 ( -2.793 -0.000 5.115) 5.828 5.762 ( -0.770 -0.000 -4.577) 4.641 5.787 ( 3.888 0.000 -0.813) 3.972 5.925 ( -0.745 -0.000 -0.115) 0.754 5.984 ( -5.978 -0.000 -1.552) 6.176 6.154 ( -1.911 -0.000 -8.755) 8.961 6.236 ( 8.002 0.000 -2.259) 8.314 6.265 ( 2.562 0.000 -1.201) 2.830 6.358 ( 1.604 0.000 2.577) 3.035 6.907 ( 1.117 0.000 6.231) 6.330 6.917 ( -6.209 -0.000 5.332) 8.184 6.954 ( -0.198 -0.000 -0.292) 0.352 7.182 ( 1.416 0.000 6.881) 7.025 7.366 ( -0.981 -0.000 9.750) 9.799 7.531 ( 7.284 0.000 -4.294) 8.455 7.586 ( -0.510 -0.000 4.609) 4.637 7.776 ( -7.248 -0.000 2.685) 7.730 7.863 ( -17.879 -0.000 -2.035) 17.994 7.904 ( -4.041 -0.000 4.304) 5.904 7.987 ( -2.600 -0.000 -1.040) 2.800 8.092 ( 0.236 0.000 -1.923) 1.937 8.175 ( -1.220 -0.000 -6.281) 6.399 8.270 ( 8.274 0.000 1.377) 8.387 8.364 ( -3.576 -0.000 -7.191) 8.031 8.631 ( 5.719 0.000 8.392) 10.155 8.692 ( -4.221 -0.000 -3.544) 5.512 8.784 ( -1.571 -0.000 -10.800) 10.913 8.850 ( 3.713 0.000 -2.345) 4.392 9.226 ( 1.574 0.000 -3.393) 3.741 9.390 ( 7.589 0.000 -2.810) 8.092 9.523 ( 3.271 0.000 -1.315) 3.525 9.688 ( 1.586 0.000 3.011) 3.403 9.989 ( 11.756 0.000 -12.411) 17.095 10.752 ( -7.082 -0.000 10.775) 12.894 10.996 ( -6.931 -0.000 -1.957) 7.202 11.032 ( 1.493 0.000 8.787) 8.913 11.526 ( 0.293 0.000 -4.619) 4.628 12.437 ( -8.480 -0.000 18.353) 20.217 12.996 ( 20.769 0.000 -2.066) 20.871 13.784 ( 3.452 0.000 -1.094) 3.621 13.860 ( -6.822 -0.000 -2.110) 7.141 14.165 ( 0.715 0.000 0.069) 0.719 14.175 ( 0.695 0.000 -0.253) 0.740 15.670 ( -8.307 -0.000 0.363) 8.315 15.779 ( -1.967 -0.000 -2.952) 3.547 15.927 ( 0.266 0.000 -0.042) 0.269 15.950 ( 2.430 0.000 -1.690) 2.960 ======================= Grid point 129 (48/93) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 21.031 -4.926 7.356) 22.818 1.528 ( 19.391 -10.767 19.424) 29.482 2.062 ( 7.386 2.224 -13.887) 15.886 2.348 ( 22.375 -3.709 0.923) 22.700 2.405 ( 23.913 -3.838 0.231) 24.221 2.696 ( 4.156 -4.057 7.433) 9.433 2.910 ( -3.113 -5.242 -4.940) 7.847 2.937 ( 3.791 8.472 4.143) 10.164 3.115 ( 3.120 5.402 -0.584) 6.266 3.155 ( -8.283 0.859 -1.991) 8.562 3.268 ( -5.129 -5.188 2.188) 7.617 3.416 ( -2.691 -5.635 -4.766) 7.856 3.749 ( -3.838 0.515 2.002) 4.359 3.877 ( -3.807 0.362 10.058) 10.760 3.940 ( 1.446 4.778 1.852) 5.325 3.991 ( -5.298 2.064 3.143) 6.496 4.162 ( -8.306 0.209 0.206) 8.311 4.422 ( -3.012 -0.430 -0.360) 3.063 4.702 ( 3.325 -0.461 -2.773) 4.354 4.793 ( 3.847 -4.305 -2.667) 6.360 4.826 ( 0.774 -2.890 -5.288) 6.076 4.956 ( -0.148 1.629 3.674) 4.022 5.288 ( 6.411 -0.432 -9.771) 11.694 5.380 ( -7.110 5.338 -2.236) 9.168 5.505 ( -0.195 2.443 -1.529) 2.888 5.526 ( -1.489 -1.938 -2.584) 3.556 5.771 ( 2.187 -0.373 -1.748) 2.824 5.844 ( 5.974 -0.293 -1.708) 6.220 5.857 ( -7.683 1.482 -3.890) 8.739 5.953 ( -0.817 -0.404 1.392) 1.663 6.131 ( -0.290 1.249 -5.770) 5.911 6.277 ( 6.760 2.726 0.691) 7.321 6.316 ( 3.835 -1.801 -5.953) 7.306 6.404 ( 4.537 -1.960 3.258) 5.920 6.781 ( -6.720 6.243 4.190) 10.084 6.866 ( 1.112 4.871 5.290) 7.276 6.952 ( 0.513 -0.416 5.882) 5.919 7.213 ( 0.890 0.005 3.044) 3.172 7.367 ( -3.892 -0.484 8.487) 9.350 7.427 ( -7.111 12.124 5.332) 15.033 7.581 ( 4.019 2.149 -4.185) 6.188 7.677 ( -15.881 -0.616 -1.678) 15.982 7.734 ( -6.426 -2.577 -1.427) 7.069 7.897 ( -2.142 -2.497 5.730) 6.607 7.970 ( -1.663 9.117 -0.950) 9.316 7.988 ( -2.402 0.391 -1.240) 2.732 8.173 ( -1.096 0.778 0.986) 1.667 8.285 ( 1.235 1.212 -0.842) 1.925 8.427 ( 2.246 -5.684 -3.093) 6.850 8.630 ( 0.345 2.017 -4.750) 5.172 8.655 ( -0.392 1.364 -1.682) 2.201 8.804 ( 4.741 -1.249 -3.851) 6.234 8.893 ( 3.269 0.143 -0.665) 3.339 9.227 ( 0.199 0.647 -0.844) 1.081 9.357 ( 8.664 4.686 -2.684) 10.209 9.619 ( 1.806 -3.199 -5.222) 6.385 9.844 ( 4.640 -12.586 5.507) 14.501 10.187 ( 6.335 -9.155 -7.889) 13.645 10.678 ( -4.717 1.142 9.365) 10.547 10.937 ( -7.846 -1.087 -2.369) 8.268 11.044 ( 0.659 0.813 5.243) 5.346 11.508 ( 0.845 2.659 -4.965) 5.696 12.347 ( -8.432 0.540 18.928) 20.728 13.202 ( 18.083 -1.501 -4.325) 18.653 13.761 ( -2.128 2.252 -3.467) 4.649 13.884 ( 1.995 -4.553 -1.289) 5.135 14.164 ( 1.085 -1.046 1.252) 1.959 14.269 ( 1.125 -7.381 -1.342) 7.585 15.537 ( -8.559 5.846 1.154) 10.429 15.696 ( -0.748 6.979 -3.064) 7.659 15.939 ( -0.095 -0.544 0.155) 0.574 15.973 ( 2.165 -0.675 -0.965) 2.465 ======================= Grid point 130 (49/93) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 17.906 -10.064 1.402) 20.589 1.909 ( 17.038 -11.373 11.648) 23.565 2.121 ( 11.187 0.057 -8.965) 14.336 2.450 ( 10.264 1.023 2.724) 10.669 2.775 ( 4.932 4.476 0.234) 6.664 2.794 ( 14.624 -4.273 1.310) 15.291 2.830 ( 5.988 -0.008 4.824) 7.690 2.984 ( -6.911 -4.620 -3.248) 8.925 3.007 ( -5.967 1.222 -1.863) 6.369 3.075 ( 3.796 6.060 -2.157) 7.469 3.321 ( -5.203 -5.494 4.818) 8.970 3.509 ( -2.298 -7.198 -4.550) 8.820 3.715 ( -3.439 1.441 0.146) 3.732 3.758 ( -6.355 4.459 3.337) 8.450 3.848 ( -0.280 4.564 3.367) 5.678 3.936 ( -2.223 -0.796 8.479) 8.802 4.134 ( -4.878 -3.177 2.479) 6.327 4.409 ( -6.022 -3.090 1.283) 6.889 4.719 ( 3.170 1.762 -0.681) 3.690 4.776 ( -7.476 2.180 -4.665) 9.078 4.857 ( -2.557 2.106 0.000) 3.312 4.969 ( 0.987 -1.312 0.015) 1.642 5.197 ( -1.612 4.643 -2.742) 5.628 5.358 ( 3.100 -0.011 -4.501) 5.465 5.458 ( 1.551 4.172 -7.398) 8.634 5.522 ( -4.354 -0.304 -2.439) 5.000 5.798 ( 0.805 -0.251 -1.605) 1.813 5.834 ( 4.604 3.068 2.799) 6.200 5.897 ( 2.271 0.817 0.402) 2.447 5.925 ( 4.528 -1.635 -1.135) 4.946 6.174 ( 0.747 -5.838 -1.741) 6.138 6.288 ( 4.716 1.642 -3.831) 6.294 6.348 ( 3.586 3.631 -5.604) 7.579 6.502 ( 3.768 -3.842 -1.773) 5.666 6.627 ( -1.667 6.896 -0.825) 7.142 6.809 ( 3.074 3.277 1.174) 4.644 6.949 ( 2.532 4.388 4.083) 6.506 7.057 ( -9.148 13.363 2.900) 16.452 7.189 ( -12.220 0.537 4.824) 13.148 7.317 ( 0.577 1.933 10.909) 11.094 7.549 ( 1.755 5.122 -2.828) 6.108 7.585 ( -6.837 1.082 -3.310) 7.673 7.691 ( 0.196 4.503 -3.285) 5.577 7.829 ( -3.107 5.272 5.627) 8.313 7.887 ( -6.392 0.477 5.517) 8.457 7.952 ( 0.191 -1.963 2.637) 3.293 8.152 ( -3.075 -0.966 6.857) 7.577 8.289 ( -5.332 -3.097 -3.274) 6.981 8.523 ( -0.010 -3.076 0.416) 3.104 8.638 ( 2.531 -1.885 -11.216) 11.651 8.659 ( -1.179 -3.113 -3.737) 5.005 8.856 ( 6.024 2.794 -7.102) 9.722 8.905 ( 1.292 -0.886 2.196) 2.698 9.213 ( -0.576 0.615 1.547) 1.761 9.441 ( 14.012 -1.303 -0.474) 14.080 9.704 ( 2.500 -4.181 -5.048) 7.015 10.107 ( 3.541 -11.916 5.985) 13.797 10.359 ( 0.231 -5.725 -0.309) 5.738 10.647 ( -1.372 -1.730 4.436) 4.956 10.872 ( -9.916 -0.749 -4.332) 10.847 11.024 ( 1.358 2.116 3.281) 4.133 11.449 ( 0.904 4.958 -5.002) 7.101 12.268 ( -7.894 -0.313 18.302) 19.934 13.361 ( 12.309 -0.145 -7.753) 14.548 13.710 ( -1.576 1.277 -2.405) 3.146 14.014 ( 4.989 -5.731 -3.889) 8.535 14.224 ( 2.288 -4.148 3.847) 6.102 14.442 ( 2.016 -10.348 -2.470) 10.828 15.315 ( -8.429 10.096 2.824) 13.452 15.539 ( -0.372 10.095 -2.888) 10.507 15.948 ( 0.174 -0.691 0.835) 1.097 16.011 ( 1.346 -1.514 -0.847) 2.196 ======================= Grid point 131 (50/93) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 14.671 -9.289 -1.894) 17.467 2.100 ( 11.210 3.601 -5.314) 12.917 2.347 ( 14.590 -7.977 8.481) 18.666 2.473 ( 8.806 7.391 5.129) 12.589 2.694 ( 1.796 5.836 -3.648) 7.113 2.804 ( 0.233 3.848 0.228) 3.861 2.884 ( -5.327 2.311 1.149) 5.919 2.957 ( 1.468 -3.178 -0.490) 3.535 3.005 ( -2.403 2.566 0.800) 3.606 3.091 ( 1.520 -7.289 -0.896) 7.499 3.341 ( -3.877 -2.146 2.235) 4.963 3.512 ( -12.660 1.827 -1.251) 12.852 3.616 ( -1.696 2.529 0.601) 3.104 3.713 ( 1.871 0.400 -1.312) 2.320 3.834 ( 3.694 -0.566 2.778) 4.657 3.988 ( 0.126 -3.487 3.543) 4.972 4.172 ( -6.001 -8.029 6.654) 12.031 4.434 ( -8.363 -7.276 3.829) 11.727 4.588 ( -8.544 3.198 -0.935) 9.170 4.771 ( 1.277 -1.308 2.246) 2.896 4.787 ( -3.473 0.604 1.395) 3.791 4.916 ( -0.871 4.879 -5.750) 7.591 5.186 ( 4.204 0.488 1.326) 4.435 5.340 ( -0.444 4.842 -1.424) 5.067 5.448 ( -2.293 -5.720 -9.379) 11.223 5.485 ( 2.185 5.002 0.262) 5.465 5.706 ( -1.654 3.657 -0.486) 4.043 5.839 ( 4.116 -0.554 0.720) 4.215 5.987 ( 6.051 0.459 1.504) 6.252 6.034 ( 5.146 -3.755 -3.429) 7.234 6.199 ( 0.959 13.464 -2.701) 13.766 6.288 ( -1.210 -2.911 -3.772) 4.916 6.331 ( 6.900 -1.432 -4.470) 8.345 6.524 ( 5.284 8.289 -3.245) 10.352 6.566 ( 2.482 1.492 2.902) 4.100 6.660 ( -6.360 7.863 -1.951) 10.300 6.805 ( -7.812 8.621 -4.739) 12.562 6.899 ( 5.377 0.069 -4.600) 7.076 7.164 ( -1.605 -0.485 7.417) 7.604 7.318 ( 1.895 -1.575 3.705) 4.449 7.418 ( 0.272 7.327 2.959) 7.906 7.488 ( 0.224 8.234 0.064) 8.237 7.646 ( -5.799 -4.180 3.349) 7.894 7.671 ( -5.800 6.245 1.532) 8.660 7.891 ( -4.983 -4.394 9.851) 11.882 7.995 ( 0.564 -2.208 1.240) 2.594 8.134 ( -3.178 -0.434 7.342) 8.011 8.277 ( -8.185 -2.678 -4.031) 9.509 8.545 ( -1.219 -0.674 1.676) 2.179 8.715 ( 1.121 -3.971 -10.200) 11.003 8.739 ( 0.167 -6.209 -4.082) 7.432 8.841 ( 0.348 0.897 -4.273) 4.380 8.947 ( 4.500 0.329 -1.791) 4.854 9.198 ( -0.265 0.565 1.571) 1.690 9.622 ( 17.036 -1.515 1.952) 17.215 9.800 ( 3.494 -3.244 -2.696) 5.477 10.313 ( 1.451 -8.460 5.569) 10.232 10.380 ( -4.934 -0.725 4.103) 6.458 10.725 ( 1.107 -5.391 0.197) 5.507 10.781 ( -9.594 -0.294 -5.338) 10.983 11.008 ( 1.959 1.225 0.846) 2.460 11.356 ( 0.723 6.218 -4.363) 7.630 12.207 ( -7.506 -0.780 17.574) 19.126 13.438 ( 5.965 0.947 -12.784) 14.139 13.690 ( 1.513 0.928 1.058) 2.066 14.138 ( 3.359 -3.201 -6.970) 8.373 14.368 ( 5.144 -8.413 6.024) 11.555 14.656 ( 3.143 -10.759 -3.485) 11.738 15.036 ( -8.645 12.105 5.655) 15.914 15.341 ( -0.923 11.673 -2.739) 12.025 15.968 ( 0.219 -1.267 1.158) 1.730 16.047 ( 0.705 -1.435 -0.883) 1.827 ======================= Grid point 132 (51/93) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 9.126 7.633 -0.545) 11.910 2.179 ( 10.462 0.924 -2.809) 10.871 2.310 ( 4.657 8.365 2.100) 9.802 2.477 ( -2.533 8.950 -3.060) 9.792 2.619 ( -1.646 14.473 1.562) 14.649 2.673 ( 2.455 -0.735 2.992) 3.940 2.835 ( -2.331 2.132 5.226) 6.107 2.911 ( 1.262 -0.770 4.094) 4.353 3.102 ( 3.807 -4.910 0.863) 6.273 3.283 ( -2.623 -7.793 -4.453) 9.351 3.310 ( -6.225 -4.221 0.498) 7.538 3.424 ( -3.844 -6.857 -1.601) 8.022 3.579 ( -0.670 0.724 0.755) 1.242 3.699 ( 2.495 2.197 -1.029) 3.481 3.876 ( -1.644 -0.470 -2.086) 2.697 3.989 ( -1.454 -0.382 0.427) 1.563 4.218 ( -7.692 -0.949 7.333) 10.670 4.498 ( -8.457 -14.586 3.383) 17.196 4.612 ( 3.273 2.320 -0.166) 4.015 4.754 ( -1.335 -4.962 9.581) 10.871 4.832 ( 1.361 2.329 -1.513) 3.092 4.892 ( -3.666 -11.960 -2.101) 12.684 5.153 ( 1.468 9.411 7.643) 12.212 5.303 ( 0.285 -4.418 1.256) 4.602 5.394 ( -0.659 3.463 -1.819) 3.966 5.545 ( 1.674 -3.315 -9.462) 10.165 5.746 ( -0.313 -8.488 -10.076) 13.178 5.858 ( 2.097 11.387 -6.262) 13.164 5.899 ( 4.994 7.154 4.077) 9.630 6.041 ( 3.435 1.771 1.544) 4.161 6.095 ( 1.367 0.518 -4.289) 4.532 6.195 ( -1.411 13.191 3.262) 13.662 6.312 ( -2.201 7.153 -1.174) 7.576 6.465 ( 8.540 1.282 -5.429) 10.200 6.542 ( -2.856 7.383 -3.460) 8.640 6.612 ( 2.002 -5.085 1.607) 5.696 6.681 ( -2.130 -1.112 -7.002) 7.403 6.927 ( 7.643 6.341 -4.816) 11.037 7.103 ( -0.544 2.922 2.027) 3.598 7.274 ( -1.278 5.074 2.887) 5.976 7.399 ( -0.024 -2.001 9.510) 9.718 7.449 ( -0.628 -1.918 -7.383) 7.654 7.502 ( -4.973 4.439 3.415) 7.490 7.684 ( -6.319 -5.317 3.788) 9.086 7.932 ( -1.659 -4.041 10.922) 11.763 8.035 ( 0.741 -1.594 0.143) 1.764 8.126 ( -1.209 -1.784 8.680) 8.944 8.238 ( -7.762 -1.780 -3.075) 8.537 8.530 ( -1.596 0.852 3.568) 4.000 8.782 ( -0.872 -3.044 -5.376) 6.240 8.829 ( 1.385 -0.041 -3.272) 3.553 8.875 ( 1.205 -6.541 -6.041) 8.985 8.964 ( 2.551 1.437 -4.949) 5.751 9.189 ( 0.034 0.443 -0.833) 0.944 9.768 ( 14.668 2.867 4.632) 15.647 9.876 ( 4.261 -0.970 2.067) 4.834 10.326 ( -6.128 -1.639 0.544) 6.367 10.451 ( 1.162 -4.858 6.267) 8.014 10.645 ( -8.907 3.287 -6.717) 11.630 10.881 ( 1.582 -7.971 0.643) 8.152 11.020 ( 1.892 -0.177 -2.812) 3.394 11.259 ( 0.594 4.824 -2.416) 5.428 12.155 ( -6.570 -0.869 16.624) 17.897 13.448 ( 1.502 1.637 -18.366) 18.500 13.704 ( 4.174 0.752 4.644) 6.290 14.193 ( 1.676 -0.783 -5.944) 6.226 14.554 ( 3.619 -0.791 7.507) 8.371 14.732 ( -3.746 3.265 3.220) 5.921 14.907 ( 1.404 -8.705 -1.138) 8.891 15.121 ( -2.454 10.857 -2.773) 11.472 15.992 ( 0.170 -1.128 1.189) 1.648 16.072 ( 0.296 -0.818 -0.848) 1.215 ======================= Grid point 133 (52/93) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 0.793 15.962 3.616) 16.385 2.115 ( 4.483 8.010 1.946) 9.383 2.222 ( 0.143 10.444 -4.905) 11.539 2.304 ( -4.853 14.896 2.744) 15.905 2.387 ( 1.005 1.085 -0.989) 1.779 2.611 ( 0.196 2.911 2.797) 4.042 2.736 ( -3.476 6.011 4.946) 8.525 2.973 ( 2.092 2.290 2.117) 3.755 3.138 ( -1.520 3.062 -4.202) 5.417 3.252 ( 4.791 -3.241 -0.090) 5.785 3.438 ( -0.270 -0.583 7.527) 7.554 3.546 ( -1.822 1.565 2.366) 3.371 3.682 ( -0.703 -18.368 -3.018) 18.628 3.728 ( -0.686 -2.765 -3.716) 4.682 3.864 ( -4.500 -8.674 -6.902) 11.963 4.057 ( 2.670 -6.184 -3.435) 7.561 4.181 ( -3.184 -2.989 3.505) 5.600 4.469 ( -0.485 11.668 -2.536) 11.950 4.660 ( -0.518 -5.933 11.672) 13.104 4.719 ( 0.920 11.165 2.109) 11.400 4.977 ( -2.588 -18.593 9.919) 21.231 5.020 ( -1.017 1.877 6.868) 7.192 5.198 ( 1.057 -19.474 -0.837) 19.520 5.315 ( -0.785 2.869 -3.828) 4.848 5.458 ( 0.937 -8.992 1.957) 9.250 5.577 ( 1.603 7.827 -7.110) 10.695 5.628 ( -2.105 -0.188 -7.977) 8.252 5.846 ( 4.671 5.135 0.314) 6.948 5.918 ( -0.953 11.063 1.142) 11.162 5.997 ( 6.009 -2.402 -5.755) 8.660 6.016 ( 2.652 3.488 -0.740) 4.444 6.123 ( -2.426 -0.022 -2.219) 3.288 6.175 ( -2.064 -1.419 -1.533) 2.937 6.379 ( -1.772 7.441 -9.454) 12.161 6.454 ( 3.466 6.723 -7.945) 10.969 6.641 ( -4.333 2.495 -7.949) 9.390 6.758 ( 1.205 -6.925 5.361) 8.841 6.891 ( 6.585 3.185 4.603) 8.642 7.045 ( -1.557 2.028 5.010) 5.625 7.222 ( -3.356 0.880 -3.414) 4.867 7.361 ( 1.673 4.226 1.432) 4.766 7.443 ( -0.513 -3.888 9.199) 10.000 7.540 ( 0.909 -2.335 -1.994) 3.203 7.704 ( -6.946 -5.052 2.631) 8.983 7.988 ( 0.390 -2.475 7.117) 7.545 8.059 ( -0.127 -0.807 -0.856) 1.183 8.187 ( -0.381 -3.518 4.237) 5.521 8.210 ( -2.782 -2.825 4.620) 6.088 8.488 ( -0.975 2.512 5.812) 6.406 8.783 ( -1.484 1.430 3.364) 3.945 8.840 ( 1.858 0.463 -11.253) 11.414 8.961 ( 0.584 0.166 -6.461) 6.489 9.005 ( 2.760 -5.209 -9.204) 10.930 9.170 ( -1.061 1.489 -3.908) 4.314 9.779 ( 7.256 7.558 9.308) 14.015 9.896 ( 1.995 1.854 6.641) 7.178 10.345 ( 0.134 -3.122 -4.040) 5.108 10.486 ( -6.923 4.045 -5.891) 9.949 10.525 ( -0.326 -1.481 5.152) 5.371 10.984 ( 0.985 2.536 3.095) 4.121 11.061 ( 1.159 -6.864 -7.875) 10.511 11.243 ( 0.976 -2.774 -0.221) 2.949 12.119 ( -4.248 -1.011 15.146) 15.762 13.410 ( -0.099 3.617 -22.980) 23.263 13.736 ( 4.087 0.142 6.756) 7.897 14.206 ( 0.921 0.514 -4.167) 4.299 14.328 ( -4.853 14.531 14.572) 21.144 14.833 ( 3.243 8.389 -3.925) 9.813 14.923 ( -1.453 -8.713 1.738) 9.003 15.133 ( 0.486 -10.301 -3.348) 10.842 16.007 ( 0.150 -0.288 1.019) 1.069 16.079 ( 0.093 0.317 -0.785) 0.852 ======================= Grid point 134 (53/93) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 0.000 17.885 5.896) 18.831 1.890 ( 0.000 20.289 -0.014) 20.289 2.065 ( 0.000 5.169 0.804) 5.232 2.108 ( 0.000 5.346 -7.234) 8.995 2.381 ( -0.000 -0.157 2.046) 2.052 2.559 ( 0.000 8.147 6.955) 10.712 2.577 ( 0.000 7.966 7.766) 11.125 2.915 ( 0.000 3.260 3.577) 4.840 3.066 ( 0.000 2.790 -6.030) 6.644 3.341 ( -0.000 -2.528 -5.568) 6.115 3.405 ( 0.000 2.080 11.420) 11.608 3.524 ( 0.000 0.048 2.591) 2.591 3.692 ( -0.000 -0.187 -1.764) 1.774 3.966 ( -0.000 -4.076 -7.921) 8.908 4.051 ( -0.000 -17.592 -1.954) 17.700 4.210 ( 0.000 2.739 -1.106) 2.954 4.256 ( 0.000 7.586 -1.023) 7.654 4.324 ( -0.000 -18.802 -10.266) 21.422 4.505 ( 0.000 10.046 7.505) 12.540 4.773 ( -0.000 -8.859 13.530) 16.172 5.015 ( -0.000 -0.604 3.919) 3.965 5.220 ( 0.000 5.563 -5.543) 7.853 5.251 ( -0.000 -10.810 6.233) 12.478 5.401 ( 0.000 10.746 -6.159) 12.385 5.533 ( -0.000 -12.764 2.119) 12.939 5.609 ( 0.000 14.307 2.811) 14.580 5.655 ( -0.000 -12.228 2.639) 12.509 5.747 ( -0.000 -7.407 -2.293) 7.754 5.924 ( 0.000 9.692 -4.874) 10.849 5.932 ( -0.000 -12.430 -5.514) 13.599 5.986 ( 0.000 2.154 4.953) 5.401 6.064 ( -0.000 -0.723 -3.394) 3.471 6.220 ( 0.000 8.218 -8.073) 11.520 6.313 ( 0.000 8.888 -6.064) 10.760 6.455 ( -0.000 -15.112 -14.008) 20.605 6.555 ( 0.000 1.253 -7.717) 7.818 6.869 ( -0.000 -5.357 7.940) 9.579 6.915 ( -0.000 -3.218 3.432) 4.704 7.039 ( -0.000 -1.144 7.908) 7.991 7.196 ( -0.000 -0.212 -1.700) 1.713 7.295 ( 0.000 5.411 1.067) 5.515 7.517 ( -0.000 -4.942 10.925) 11.991 7.564 ( -0.000 -0.365 3.014) 3.036 7.772 ( -0.000 -6.262 -0.034) 6.262 8.025 ( -0.000 -1.538 5.068) 5.297 8.068 ( -0.000 -0.626 -0.518) 0.812 8.190 ( -0.000 -0.224 -2.448) 2.458 8.287 ( -0.000 -2.535 10.051) 10.366 8.425 ( 0.000 4.054 6.797) 7.914 8.738 ( 0.000 2.097 1.021) 2.332 8.826 ( 0.000 2.255 -13.665) 13.850 8.968 ( -0.000 -0.347 -5.457) 5.468 9.085 ( -0.000 -1.032 -13.088) 13.128 9.113 ( 0.000 3.567 -6.173) 7.130 9.669 ( 0.000 7.686 12.618) 14.775 9.861 ( 0.000 3.062 9.134) 9.634 10.304 ( 0.000 9.420 -7.313) 11.925 10.418 ( -0.000 -1.150 -6.188) 6.294 10.567 ( -0.000 -3.236 7.029) 7.738 10.902 ( 0.000 5.164 3.130) 6.038 11.212 ( -0.000 -8.412 -5.675) 10.148 11.337 ( -0.000 -6.046 -1.609) 6.256 12.120 ( -0.000 -1.667 12.954) 13.061 13.308 ( 0.000 8.237 -23.984) 25.359 13.766 ( -0.000 -0.904 8.603) 8.651 14.073 ( 0.000 10.294 16.718) 19.633 14.201 ( 0.000 0.746 -2.498) 2.607 14.621 ( 0.000 12.403 -3.727) 12.951 15.159 ( -0.000 -14.189 -0.076) 14.190 15.306 ( -0.000 -8.686 -3.230) 9.268 16.004 ( 0.000 0.706 0.653) 0.962 16.062 ( 0.000 1.575 -0.714) 1.729 ======================= Grid point 139 (54/93) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 23.224 0.000 7.325) 24.352 1.616 ( 20.882 0.000 19.487) 28.562 2.112 ( 0.439 0.000 -10.561) 10.570 2.560 ( 24.247 0.000 4.904) 24.738 2.564 ( 14.796 0.000 -10.886) 18.369 2.688 ( 7.060 0.000 5.867) 9.180 2.828 ( -3.565 -0.000 -2.766) 4.512 3.032 ( 1.599 0.000 5.285) 5.521 3.066 ( -10.100 -0.000 1.600) 10.226 3.141 ( -4.051 -0.000 0.194) 4.056 3.267 ( 4.212 0.000 -1.170) 4.372 3.310 ( -4.106 -0.000 -7.573) 8.614 3.726 ( -1.762 -0.000 1.137) 2.097 3.874 ( -10.767 -0.000 -2.222) 10.994 3.896 ( 0.550 0.000 15.995) 16.004 4.051 ( 1.281 0.000 3.379) 3.614 4.085 ( -5.387 -0.000 2.586) 5.976 4.416 ( -2.431 -0.000 0.936) 2.605 4.689 ( 3.790 0.000 -7.821) 8.691 4.807 ( 2.551 0.000 -9.734) 10.063 4.830 ( 1.641 0.000 5.466) 5.708 4.968 ( -0.684 -0.000 5.388) 5.431 5.378 ( -2.693 -0.000 -0.852) 2.824 5.382 ( 8.343 0.000 -11.149) 13.925 5.469 ( -0.137 -0.000 1.611) 1.617 5.560 ( 3.955 0.000 -11.164) 11.844 5.751 ( -7.037 -0.000 -6.859) 9.827 5.833 ( -1.125 -0.000 -6.508) 6.604 5.847 ( 0.299 0.000 1.130) 1.169 5.941 ( 4.220 0.000 1.788) 4.583 6.188 ( 3.056 0.000 -6.261) 6.966 6.314 ( 2.462 0.000 -0.962) 2.644 6.378 ( 6.359 0.000 0.101) 6.360 6.423 ( 4.120 0.000 6.208) 7.451 6.750 ( -10.607 -0.000 11.509) 15.651 6.922 ( -2.183 -0.000 1.986) 2.951 6.924 ( -0.110 -0.000 6.003) 6.004 7.230 ( 3.188 0.000 0.660) 3.256 7.338 ( -2.734 -0.000 7.285) 7.781 7.474 ( -20.940 -0.000 -0.181) 20.941 7.523 ( -13.365 -0.000 4.083) 13.975 7.590 ( 0.265 0.000 4.628) 4.636 7.641 ( 2.303 0.000 -3.791) 4.436 7.850 ( -3.048 -0.000 4.443) 5.388 7.919 ( -4.661 -0.000 -0.012) 4.661 8.086 ( -0.605 -0.000 -4.309) 4.352 8.158 ( -0.431 -0.000 -7.164) 7.177 8.297 ( -3.432 -0.000 -5.457) 6.447 8.419 ( 5.037 0.000 1.202) 5.178 8.625 ( -2.826 -0.000 -4.551) 5.357 8.724 ( 4.590 0.000 8.152) 9.355 8.746 ( -2.321 -0.000 -4.395) 4.970 8.996 ( 10.746 0.000 -5.637) 12.135 9.238 ( 0.127 0.000 0.532) 0.547 9.528 ( 6.550 0.000 -5.931) 8.837 9.583 ( 2.593 0.000 -2.489) 3.594 9.757 ( 6.716 0.000 7.488) 10.058 10.177 ( 8.699 0.000 -8.621) 12.247 10.641 ( -4.723 -0.000 9.276) 10.409 10.832 ( -10.556 -0.000 -1.225) 10.626 11.076 ( 2.324 0.000 4.864) 5.390 11.543 ( 1.288 0.000 -5.217) 5.374 12.265 ( -8.895 -0.000 19.892) 21.790 13.353 ( 14.979 0.000 -9.607) 17.795 13.761 ( -1.903 -0.000 0.248) 1.919 13.873 ( 4.929 0.000 -2.155) 5.379 14.180 ( 0.814 0.000 0.125) 0.823 14.189 ( 0.714 0.000 -0.223) 0.748 15.507 ( -8.596 -0.000 2.486) 8.948 15.746 ( -1.487 -0.000 -3.622) 3.915 15.935 ( 0.542 0.000 0.342) 0.641 15.991 ( 1.901 0.000 -1.624) 2.500 ======================= Grid point 140 (55/93) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 21.991 -1.826 4.229) 22.468 1.891 ( 18.365 -8.690 16.200) 25.985 2.149 ( 1.875 -5.063 -6.704) 8.608 2.596 ( 8.546 5.133 1.127) 10.033 2.737 ( 2.281 -3.327 -8.432) 9.347 2.820 ( -5.443 -3.264 -0.878) 6.407 2.868 ( 9.784 -2.479 0.597) 10.110 2.956 ( -4.609 -0.113 -0.877) 4.694 3.007 ( 3.761 5.101 5.975) 8.710 3.168 ( -2.038 -5.847 2.197) 6.570 3.230 ( 3.711 4.295 -3.565) 6.703 3.369 ( -1.464 -6.141 -4.474) 7.738 3.702 ( -3.272 1.472 -0.392) 3.609 3.790 ( -4.235 1.598 1.739) 4.849 3.817 ( -7.145 1.736 9.450) 11.973 4.016 ( 0.522 4.236 4.433) 6.153 4.084 ( 1.839 0.338 5.340) 5.658 4.351 ( -4.080 1.963 2.932) 5.395 4.751 ( 1.527 0.476 -6.006) 6.215 4.782 ( -8.048 3.553 2.033) 9.030 4.838 ( 1.553 -1.909 -4.244) 4.906 4.977 ( 3.615 -1.154 0.747) 3.867 5.274 ( -0.333 5.992 -1.504) 6.187 5.451 ( 2.387 6.550 -5.802) 9.070 5.464 ( 1.921 -2.140 -3.871) 4.822 5.547 ( 0.132 2.335 -5.429) 5.911 5.773 ( 1.159 -1.791 -10.440) 10.656 5.831 ( 4.529 -5.669 -4.496) 8.535 5.932 ( 2.060 -3.309 0.687) 3.958 5.991 ( 6.199 0.477 1.998) 6.530 6.146 ( 1.068 4.548 1.685) 4.966 6.361 ( 1.187 0.483 1.687) 2.119 6.376 ( 2.537 0.797 -11.341) 11.648 6.478 ( 2.990 -1.764 5.992) 6.925 6.686 ( -2.839 -0.721 3.727) 4.740 6.886 ( 0.788 3.677 6.305) 7.341 6.932 ( -3.250 -4.442 5.826) 8.015 7.140 ( -10.465 7.727 -1.243) 13.068 7.191 ( -11.691 10.203 2.454) 15.710 7.340 ( -2.664 -0.217 8.172) 8.598 7.436 ( -5.197 -4.185 3.583) 7.574 7.630 ( -0.014 1.799 -1.639) 2.434 7.669 ( -0.712 -4.210 1.591) 4.557 7.834 ( -4.650 -1.485 4.318) 6.517 7.916 ( -2.979 -1.509 -2.051) 3.919 7.966 ( -0.686 8.141 -2.245) 8.472 8.157 ( -0.304 1.926 -1.632) 2.543 8.250 ( -2.825 2.485 0.069) 3.763 8.471 ( 1.195 -2.242 -0.388) 2.570 8.610 ( -1.635 -1.183 -7.504) 7.771 8.634 ( -1.249 2.627 -2.983) 4.166 8.871 ( 2.210 -5.111 4.441) 7.122 9.018 ( 7.200 7.039 -8.327) 13.066 9.229 ( 0.375 0.984 1.264) 1.645 9.561 ( 11.571 -0.348 -3.327) 12.045 9.658 ( 2.570 -3.735 -2.814) 5.336 9.942 ( 6.240 -10.141 7.295) 13.964 10.291 ( 4.548 -3.666 -3.848) 6.996 10.604 ( -3.296 -0.649 6.561) 7.371 10.742 ( -11.704 -1.619 -1.868) 11.962 11.080 ( 1.829 1.704 3.741) 4.500 11.529 ( 1.196 2.873 -5.358) 6.196 12.190 ( -7.409 -0.192 19.338) 20.710 13.452 ( 5.895 0.080 -15.315) 16.410 13.750 ( 4.261 2.220 2.986) 5.657 13.966 ( 4.945 -4.914 -2.250) 7.326 14.184 ( 1.066 -1.740 1.529) 2.550 14.287 ( 0.770 -7.981 -1.136) 8.098 15.379 ( -7.766 5.698 4.083) 10.462 15.680 ( -0.787 5.982 -3.760) 7.109 15.943 ( 0.374 -0.271 0.572) 0.735 16.009 ( 1.563 -0.383 -1.271) 2.051 ======================= Grid point 141 (56/93) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 17.886 -5.737 0.128) 18.784 2.212 ( 14.185 -8.025 9.271) 18.750 2.327 ( 10.209 -7.525 -5.762) 13.931 2.586 ( 2.625 -0.162 4.242) 4.991 2.718 ( -15.279 -1.203 -1.537) 15.403 2.778 ( -2.293 0.287 -3.721) 4.381 2.909 ( 2.629 1.059 0.087) 2.836 2.930 ( 2.851 4.591 3.924) 6.679 3.016 ( 0.946 0.396 -2.012) 2.259 3.163 ( 1.964 5.512 0.604) 5.882 3.267 ( 0.037 -4.209 1.601) 4.504 3.429 ( -7.305 1.178 -2.023) 7.671 3.626 ( -3.720 1.188 0.533) 3.941 3.730 ( 3.649 -2.284 0.545) 4.339 3.840 ( 1.249 -2.992 0.305) 3.256 3.950 ( 0.059 1.867 5.266) 5.588 4.083 ( 0.330 0.302 5.240) 5.259 4.300 ( -4.804 -0.954 6.288) 7.970 4.551 ( -14.654 7.518 -0.193) 16.471 4.751 ( 0.529 -0.192 0.734) 0.925 4.831 ( 0.408 2.457 1.662) 2.994 5.028 ( 4.022 4.766 -8.159) 10.269 5.211 ( 0.506 -0.465 -4.382) 4.436 5.352 ( -2.507 1.499 -6.223) 6.875 5.436 ( 1.502 4.517 -6.014) 7.670 5.602 ( 7.291 -0.184 4.500) 8.570 5.807 ( -0.697 0.368 3.353) 3.444 5.826 ( -1.249 7.476 2.981) 8.145 5.993 ( 5.499 -3.065 -5.598) 8.425 6.091 ( 10.419 -2.215 -2.023) 10.842 6.177 ( -1.440 -5.293 -0.820) 5.546 6.351 ( 2.064 -0.457 -5.134) 5.552 6.394 ( 1.644 2.942 -10.056) 10.606 6.538 ( 0.684 -2.605 4.287) 5.063 6.615 ( -2.199 6.078 -5.179) 8.283 6.847 ( 0.517 4.880 -3.276) 5.900 6.870 ( -9.871 11.509 1.954) 15.287 6.936 ( -3.198 3.400 2.855) 5.472 7.047 ( 0.034 -9.652 9.730) 13.706 7.339 ( 1.083 0.709 5.679) 5.824 7.455 ( -5.769 -2.287 0.220) 6.209 7.573 ( 1.489 4.385 1.246) 4.796 7.693 ( -0.600 5.348 -1.703) 5.645 7.756 ( -6.464 5.429 4.044) 9.360 7.788 ( -1.900 3.268 7.581) 8.471 7.967 ( 0.856 -2.455 -0.914) 2.756 8.097 ( -2.018 1.533 9.285) 9.625 8.191 ( -4.445 -0.066 -2.885) 5.300 8.508 ( -0.960 -1.762 0.265) 2.024 8.636 ( -0.711 -3.396 -5.021) 6.103 8.649 ( -0.668 -4.173 -10.738) 11.539 8.898 ( 0.413 3.620 -0.348) 3.660 8.987 ( 4.055 0.505 -6.048) 7.299 9.216 ( 0.722 1.050 1.056) 1.655 9.736 ( 10.721 -5.131 -1.439) 11.972 9.770 ( 8.861 -3.337 -0.880) 9.509 10.162 ( 2.384 -9.532 6.771) 11.933 10.330 ( -3.584 0.065 2.775) 4.533 10.633 ( -0.534 -5.033 2.450) 5.623 10.671 ( -9.715 -1.614 -4.144) 10.685 11.059 ( 1.533 2.195 2.146) 3.431 11.466 ( 0.816 5.225 -5.207) 7.421 12.134 ( -5.604 -0.356 18.603) 19.432 13.474 ( 0.327 0.208 -18.075) 18.079 13.758 ( 5.709 2.393 4.315) 7.546 14.103 ( 3.684 -4.654 -5.388) 8.017 14.271 ( 2.707 -6.609 4.298) 8.336 14.471 ( 1.034 -11.635 -2.035) 11.856 15.168 ( -6.600 10.548 6.294) 13.944 15.532 ( -0.251 10.050 -3.683) 10.707 15.953 ( 0.283 -0.648 0.934) 1.171 16.033 ( 0.910 -0.961 -1.111) 1.729 ======================= Grid point 142 (57/93) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 9.852 -6.300 -4.208) 12.428 2.314 ( 11.486 7.346 -5.184) 14.586 2.526 ( -4.656 10.065 1.120) 11.146 2.602 ( 8.004 -9.386 5.034) 13.323 2.703 ( 2.244 7.778 1.223) 8.187 2.719 ( -4.742 -7.304 2.746) 9.131 2.828 ( -0.897 7.052 4.805) 8.580 2.936 ( -2.583 2.884 4.357) 5.828 2.962 ( -1.537 -6.414 -3.905) 7.665 3.109 ( -0.937 0.391 3.782) 3.916 3.297 ( -6.551 1.685 -2.116) 7.087 3.320 ( -0.047 -2.351 -2.581) 3.492 3.591 ( -0.922 0.497 0.189) 1.064 3.798 ( 5.824 2.300 -4.372) 7.637 3.892 ( 1.765 0.358 0.520) 1.874 3.965 ( -3.438 -0.950 2.157) 4.168 4.104 ( 0.715 -5.518 5.419) 7.767 4.249 ( -10.150 1.180 6.880) 12.319 4.460 ( -3.049 -13.182 3.192) 13.901 4.770 ( 0.976 1.856 1.359) 2.499 4.786 ( -0.327 0.798 3.091) 3.209 4.913 ( -0.166 6.220 -5.742) 8.467 5.259 ( 2.960 -0.237 1.142) 3.182 5.349 ( 0.967 6.777 -1.366) 6.981 5.401 ( -1.671 -8.856 -11.114) 14.309 5.527 ( 0.527 11.095 8.058) 13.722 5.702 ( 0.970 1.138 -5.419) 5.622 5.913 ( 2.959 -5.436 2.218) 6.575 6.058 ( 4.534 0.300 -1.027) 4.659 6.158 ( 4.830 7.767 -3.475) 9.784 6.187 ( -6.159 -0.622 -0.108) 6.192 6.213 ( -1.532 12.690 -8.591) 15.401 6.448 ( 4.294 -6.003 -1.893) 7.619 6.543 ( -4.484 7.389 3.124) 9.190 6.564 ( 2.614 -0.703 -2.075) 3.411 6.635 ( -3.630 1.244 -3.476) 5.177 6.690 ( 0.490 9.818 -2.691) 10.192 7.019 ( 6.266 -5.508 -9.338) 12.522 7.179 ( 0.965 1.501 3.277) 3.732 7.333 ( 0.046 -2.210 -3.272) 3.948 7.406 ( -1.380 1.780 7.030) 7.382 7.470 ( -2.401 14.367 1.511) 14.644 7.515 ( -3.346 2.504 2.257) 4.750 7.606 ( -2.538 2.107 8.878) 9.471 7.825 ( -1.684 -5.276 12.105) 13.312 8.020 ( 1.480 -1.859 -1.620) 2.876 8.082 ( -1.886 -1.518 9.513) 9.817 8.160 ( -3.667 -0.798 -3.732) 5.293 8.519 ( -0.960 -0.577 1.985) 2.280 8.709 ( -0.382 -4.087 -8.732) 9.649 8.739 ( -0.379 -7.308 -4.328) 8.502 8.854 ( 0.573 1.240 -4.938) 5.124 9.007 ( 1.463 0.881 -3.429) 3.831 9.206 ( 0.633 0.831 -0.228) 1.069 9.860 ( 2.273 -3.665 1.547) 4.582 9.956 ( 17.120 -0.301 1.899) 17.227 10.223 ( -10.478 -1.002 1.262) 10.601 10.351 ( 0.538 -6.876 7.971) 10.541 10.607 ( -5.960 0.590 -7.003) 9.215 10.752 ( 0.625 -7.654 1.588) 7.842 11.040 ( 1.040 1.116 -0.020) 1.526 11.368 ( 0.382 6.388 -4.347) 7.736 12.098 ( -3.313 -0.326 17.866) 18.173 13.465 ( -0.613 0.445 -19.826) 19.840 13.768 ( 3.730 1.693 4.965) 6.437 14.181 ( 1.155 -2.131 -5.982) 6.454 14.457 ( 3.449 -10.460 4.104) 11.754 14.699 ( 1.352 -12.633 -2.719) 12.993 14.895 ( -5.199 13.947 9.119) 17.456 15.330 ( -0.261 12.618 -3.708) 13.154 15.972 ( 0.128 -1.190 1.140) 1.653 16.057 ( 0.316 -1.091 -1.018) 1.526 ======================= Grid point 143 (58/93) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 0.000 17.293 3.039) 17.558 2.264 ( 0.000 6.879 -6.204) 9.264 2.326 ( -0.000 -4.991 -6.698) 8.353 2.474 ( 0.000 15.685 -1.676) 15.774 2.561 ( 0.000 15.772 6.384) 17.015 2.689 ( 0.000 4.788 9.491) 10.630 2.802 ( 0.000 0.364 5.041) 5.054 2.964 ( -0.000 -4.784 4.058) 6.274 3.147 ( -0.000 -4.078 1.071) 4.216 3.222 ( -0.000 -18.123 -1.456) 18.182 3.241 ( 0.000 0.625 -0.878) 1.078 3.397 ( -0.000 -8.909 -9.335) 12.904 3.572 ( 0.000 1.783 1.149) 2.122 3.788 ( 0.000 3.366 -4.952) 5.987 3.789 ( 0.000 4.821 -0.230) 4.827 3.992 ( -0.000 -3.061 0.722) 3.145 4.137 ( 0.000 0.653 7.705) 7.732 4.397 ( -0.000 -20.402 5.277) 21.073 4.657 ( 0.000 8.739 -3.723) 9.498 4.737 ( -0.000 -11.488 13.838) 17.985 4.842 ( 0.000 3.298 -0.892) 3.416 4.859 ( -0.000 -12.748 -1.301) 12.814 5.164 ( 0.000 12.375 9.872) 15.830 5.321 ( -0.000 -6.025 1.577) 6.228 5.389 ( 0.000 4.899 -2.082) 5.323 5.559 ( -0.000 -5.092 -11.862) 12.909 5.743 ( -0.000 -7.773 -10.716) 13.238 5.861 ( 0.000 18.228 -6.882) 19.484 6.012 ( -0.000 -1.500 0.782) 1.692 6.075 ( 0.000 0.116 1.226) 1.231 6.095 ( 0.000 4.536 -1.829) 4.891 6.136 ( 0.000 3.734 2.761) 4.644 6.289 ( 0.000 14.997 3.119) 15.318 6.509 ( 0.000 8.708 -5.929) 10.535 6.601 ( 0.000 1.419 -11.012) 11.103 6.601 ( 0.000 -3.554 -6.010) 6.982 6.649 ( -0.000 -4.213 4.720) 6.327 7.025 ( 0.000 8.768 5.566) 10.386 7.172 ( -0.000 -4.508 -10.334) 11.275 7.184 ( 0.000 13.165 1.622) 13.265 7.402 ( -0.000 -0.657 9.576) 9.598 7.408 ( -0.000 -1.282 -3.902) 4.107 7.493 ( -0.000 -2.508 -1.266) 2.809 7.594 ( -0.000 -2.219 9.071) 9.338 7.918 ( -0.000 -5.453 12.965) 14.065 8.048 ( -0.000 -0.704 -2.932) 3.016 8.119 ( -0.000 -3.633 11.198) 11.772 8.157 ( -0.000 -1.128 -3.322) 3.509 8.512 ( 0.000 0.835 4.029) 4.115 8.764 ( -0.000 -2.471 -2.161) 3.283 8.853 ( -0.000 -0.051 -7.309) 7.309 8.884 ( -0.000 -8.585 -6.024) 10.488 8.985 ( 0.000 1.870 -4.785) 5.137 9.194 ( 0.000 1.090 -2.383) 2.621 9.913 ( -0.000 -0.844 4.874) 4.946 9.965 ( 0.000 8.113 7.883) 11.312 10.240 ( -0.000 -6.750 -3.092) 7.425 10.464 ( -0.000 -5.053 6.470) 8.209 10.538 ( 0.000 3.829 -8.189) 9.040 10.898 ( -0.000 -8.340 1.059) 8.407 11.040 ( -0.000 -0.103 -3.217) 3.219 11.266 ( 0.000 4.688 -2.144) 5.155 12.087 ( -0.000 -0.420 16.800) 16.805 13.448 ( 0.000 1.280 -22.010) 22.047 13.764 ( 0.000 0.794 5.777) 5.831 14.209 ( -0.000 -0.617 -5.185) 5.222 14.589 ( 0.000 16.612 12.541) 20.814 14.683 ( -0.000 -12.602 2.743) 12.897 14.932 ( -0.000 -12.399 -3.198) 12.805 15.093 ( 0.000 13.874 -3.826) 14.392 15.994 ( -0.000 -1.132 1.154) 1.616 16.075 ( -0.000 -0.703 -0.892) 1.136 ======================= Grid point 150 (59/93) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 23.055 0.000 4.125) 23.421 1.962 ( 13.919 0.000 16.519) 21.601 2.067 ( -2.915 -0.000 1.723) 3.386 2.687 ( -12.514 -0.000 -2.218) 12.709 2.707 ( 3.519 0.000 -5.929) 6.894 2.781 ( 6.249 0.000 -4.141) 7.497 2.870 ( -7.053 -0.000 -1.141) 7.144 2.982 ( 11.030 0.000 -2.791) 11.378 3.070 ( 1.806 0.000 3.928) 4.323 3.108 ( 0.905 0.000 -0.451) 1.011 3.242 ( -2.489 -0.000 -5.666) 6.189 3.340 ( 2.649 0.000 -1.745) 3.172 3.689 ( -8.080 -0.000 0.154) 8.081 3.742 ( 2.544 0.000 -3.101) 4.011 3.781 ( -6.903 -0.000 13.550) 15.207 4.031 ( -2.365 -0.000 3.651) 4.349 4.174 ( 9.671 0.000 9.282) 13.405 4.363 ( -2.553 -0.000 3.564) 4.385 4.715 ( -11.635 -0.000 6.894) 13.524 4.757 ( 2.721 0.000 -9.095) 9.494 4.869 ( 3.719 0.000 -5.121) 6.329 4.990 ( 2.899 0.000 1.300) 3.177 5.328 ( -3.209 -0.000 -1.472) 3.530 5.476 ( 10.483 0.000 0.907) 10.522 5.522 ( -8.746 -0.000 -7.667) 11.631 5.620 ( 2.182 0.000 -15.791) 15.941 5.759 ( 11.590 0.000 -7.491) 13.800 5.790 ( -1.998 -0.000 -6.536) 6.835 5.920 ( 6.044 0.000 -2.247) 6.448 6.044 ( 5.380 0.000 1.631) 5.621 6.246 ( 3.469 0.000 -0.771) 3.554 6.350 ( 1.271 0.000 -2.174) 2.519 6.438 ( -0.912 -0.000 2.490) 2.652 6.495 ( 2.849 0.000 4.699) 5.496 6.550 ( -10.238 -0.000 11.965) 15.747 6.866 ( -2.163 -0.000 -0.520) 2.225 6.927 ( -0.200 -0.000 7.067) 7.070 7.122 ( -14.686 -0.000 1.969) 14.817 7.162 ( -13.115 -0.000 0.288) 13.118 7.285 ( 2.318 0.000 -2.320) 3.279 7.399 ( -0.748 -0.000 13.705) 13.725 7.610 ( 1.365 0.000 4.879) 5.067 7.664 ( 0.072 0.000 -0.602) 0.606 7.791 ( -2.868 -0.000 2.586) 3.862 7.830 ( -4.200 -0.000 0.559) 4.237 8.077 ( -0.285 -0.000 -5.786) 5.793 8.161 ( 0.721 0.000 -7.275) 7.311 8.241 ( -2.504 -0.000 -6.384) 6.858 8.462 ( 0.600 0.000 0.444) 0.747 8.586 ( -1.406 -0.000 -4.185) 4.414 8.706 ( -1.718 -0.000 -0.926) 1.952 8.800 ( 3.103 0.000 7.350) 7.978 9.173 ( 6.698 0.000 -9.237) 11.410 9.237 ( -0.095 -0.000 2.108) 2.110 9.613 ( 0.856 0.000 -1.809) 2.001 9.624 ( 3.532 0.000 -6.523) 7.417 9.950 ( 13.087 0.000 9.628) 16.247 10.318 ( 6.143 0.000 -3.827) 7.238 10.567 ( -3.393 -0.000 5.906) 6.811 10.608 ( -12.923 -0.000 -0.090) 12.924 11.109 ( 1.099 0.000 3.687) 3.847 11.566 ( 0.999 0.000 -5.492) 5.582 12.128 ( -5.354 -0.000 19.276) 20.006 13.476 ( 0.100 0.000 -17.809) 17.809 13.846 ( 8.374 0.000 2.834) 8.841 13.948 ( 2.906 0.000 -1.196) 3.142 14.194 ( 0.561 0.000 0.224) 0.604 14.201 ( 0.541 0.000 -0.064) 0.545 15.365 ( -6.050 -0.000 5.531) 8.198 15.725 ( -0.802 -0.000 -4.036) 4.115 15.945 ( 0.442 0.000 0.560) 0.714 16.019 ( 1.059 0.000 -1.479) 1.819 ======================= Grid point 151 (60/93) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 15.362 0.125 4.838) 16.106 2.141 ( 1.529 -12.099 4.362) 12.952 2.192 ( 10.911 -7.920 10.744) 17.240 2.529 ( -17.244 0.637 -0.661) 17.268 2.690 ( 1.747 4.747 -9.033) 10.353 2.794 ( -1.479 0.448 2.083) 2.594 2.877 ( 3.948 -2.129 -3.882) 5.932 3.024 ( -0.630 0.984 -2.572) 2.825 3.074 ( 4.106 2.940 5.191) 7.242 3.142 ( -1.411 -1.889 -2.362) 3.337 3.290 ( 1.475 -3.592 -6.526) 7.594 3.356 ( -1.489 -1.685 -3.684) 4.316 3.609 ( -3.721 1.467 0.985) 4.119 3.726 ( -0.135 0.447 12.317) 12.326 3.799 ( 1.305 -2.906 -4.734) 5.706 4.005 ( -0.828 1.400 3.734) 4.073 4.164 ( 3.413 8.239 7.197) 11.460 4.312 ( 1.700 2.573 9.400) 9.893 4.555 ( -11.851 5.598 3.459) 13.555 4.772 ( 0.531 1.834 -5.271) 5.606 4.882 ( 2.098 1.831 1.766) 3.297 5.049 ( 2.455 -4.114 -8.325) 9.605 5.275 ( -0.098 6.622 -10.845) 12.707 5.402 ( -2.922 1.928 0.133) 3.503 5.541 ( 1.454 6.157 -8.715) 10.769 5.588 ( 4.608 -2.485 5.989) 7.954 5.798 ( 0.563 -1.333 -8.355) 8.479 5.929 ( 1.923 -4.061 -2.838) 5.315 6.009 ( 7.240 -0.863 -2.648) 7.757 6.116 ( 5.441 -3.227 -1.376) 6.474 6.139 ( -2.449 7.926 7.203) 10.986 6.356 ( -0.442 0.224 -4.477) 4.504 6.388 ( -0.672 -1.817 -14.583) 14.711 6.522 ( 1.738 -0.395 6.913) 7.139 6.622 ( -5.012 -6.493 6.994) 10.780 6.868 ( -0.512 -1.133 -2.019) 2.371 6.892 ( -1.000 1.034 9.305) 9.415 6.951 ( -6.465 6.181 2.756) 9.359 7.013 ( -5.371 4.478 2.760) 7.518 7.327 ( 0.149 -2.141 -3.383) 4.006 7.398 ( -0.418 -0.213 13.552) 13.561 7.648 ( 1.959 -0.728 3.839) 4.371 7.660 ( 0.157 -0.530 1.089) 1.221 7.733 ( -5.404 0.725 3.675) 6.576 7.881 ( -0.780 -5.597 -1.473) 5.840 7.956 ( -0.320 10.218 -4.016) 10.984 8.160 ( 0.343 1.546 -4.835) 5.088 8.209 ( -1.326 4.260 2.191) 4.971 8.478 ( -0.048 -1.211 0.107) 1.217 8.587 ( -0.687 -1.460 -3.950) 4.267 8.617 ( -0.499 2.619 -7.791) 8.235 8.899 ( 0.807 -4.047 6.907) 8.046 9.102 ( 1.869 8.517 -9.456) 12.863 9.241 ( 0.614 0.894 -0.447) 1.173 9.667 ( 1.122 -5.275 -1.374) 5.565 9.757 ( 4.666 -8.975 -4.615) 11.118 10.101 ( 10.022 -3.339 9.751) 14.376 10.330 ( -1.976 3.081 1.228) 3.861 10.530 ( -6.251 -3.592 -2.021) 7.487 10.565 ( -2.788 -2.794 3.074) 5.003 11.102 ( 0.593 1.485 3.052) 3.445 11.546 ( 0.520 2.978 -5.512) 6.287 12.090 ( -2.846 -0.106 18.893) 19.106 13.471 ( -0.764 0.017 -18.135) 18.151 13.859 ( 4.005 3.571 2.245) 5.816 14.043 ( 2.631 -5.503 -2.877) 6.744 14.202 ( 0.679 -2.639 1.912) 3.329 14.297 ( 0.307 -8.192 -0.900) 8.247 15.268 ( -3.483 5.908 6.990) 9.792 15.669 ( -0.308 5.569 -4.075) 6.908 15.949 ( 0.206 -0.153 0.710) 0.755 16.029 ( 0.569 -0.351 -1.347) 1.504 ======================= Grid point 152 (61/93) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -0.000 -2.558 -0.350) 2.582 2.420 ( -0.000 -4.805 -0.976) 4.904 2.437 ( -0.000 -7.807 12.170) 14.459 2.454 ( -0.000 -19.856 -0.558) 19.864 2.597 ( 0.000 5.146 -9.571) 10.866 2.740 ( 0.000 5.518 2.705) 6.145 2.935 ( -0.000 -0.921 0.816) 1.230 2.996 ( 0.000 1.530 -3.667) 3.973 3.006 ( 0.000 7.726 7.245) 10.592 3.149 ( 0.000 1.077 -0.953) 1.438 3.308 ( 0.000 2.671 -2.247) 3.491 3.311 ( 0.000 3.073 1.955) 3.643 3.582 ( -0.000 -0.176 0.523) 0.552 3.824 ( -0.000 -8.678 0.460) 8.690 3.841 ( -0.000 -0.912 -6.348) 6.413 3.941 ( 0.000 3.349 3.798) 5.063 4.108 ( -0.000 -0.162 4.887) 4.890 4.270 ( 0.000 4.496 12.339) 13.132 4.351 ( 0.000 5.941 1.044) 6.032 4.755 ( -0.000 -0.520 0.195) 0.555 4.844 ( 0.000 3.091 3.192) 4.444 5.075 ( 0.000 11.565 -11.740) 16.479 5.180 ( -0.000 -8.522 -10.058) 13.183 5.366 ( 0.000 4.154 0.094) 4.155 5.453 ( 0.000 4.898 -6.022) 7.762 5.688 ( -0.000 -5.121 7.638) 9.196 5.778 ( 0.000 14.808 15.364) 21.339 5.827 ( -0.000 -2.583 -7.008) 7.469 6.100 ( -0.000 -1.666 2.359) 2.888 6.101 ( -0.000 -2.953 -10.746) 11.144 6.218 ( -0.000 -2.446 -6.652) 7.087 6.374 ( -0.000 -2.784 -4.040) 4.906 6.409 ( 0.000 2.440 -12.224) 12.466 6.545 ( 0.000 6.236 -2.151) 6.597 6.554 ( -0.000 -2.334 5.835) 6.285 6.754 ( 0.000 9.872 2.003) 10.073 6.860 ( 0.000 7.878 3.322) 8.550 6.932 ( -0.000 -5.332 -7.210) 8.967 7.045 ( -0.000 -11.049 9.121) 14.328 7.355 ( -0.000 -0.385 -6.450) 6.461 7.394 ( 0.000 0.022 13.067) 13.067 7.626 ( 0.000 8.337 0.896) 8.385 7.635 ( 0.000 2.832 6.831) 7.395 7.695 ( 0.000 2.285 0.120) 2.288 7.772 ( 0.000 6.476 6.182) 8.953 7.974 ( -0.000 -4.497 -3.107) 5.466 8.083 ( 0.000 4.603 13.606) 14.364 8.143 ( 0.000 0.661 -5.217) 5.258 8.498 ( -0.000 -1.155 0.541) 1.275 8.632 ( -0.000 -4.295 -2.841) 5.150 8.638 ( -0.000 -3.687 -13.748) 14.234 8.902 ( 0.000 3.487 0.410) 3.511 9.023 ( 0.000 0.961 -6.515) 6.586 9.225 ( 0.000 1.033 -0.089) 1.037 9.781 ( -0.000 -6.185 0.483) 6.204 9.963 ( -0.000 -9.804 -3.845) 10.531 10.207 ( 0.000 5.873 4.107) 7.166 10.238 ( -0.000 -5.668 10.028) 11.519 10.562 ( -0.000 -2.390 -5.752) 6.229 10.634 ( -0.000 -5.885 2.652) 6.455 11.074 ( 0.000 1.945 1.714) 2.593 11.475 ( 0.000 5.305 -5.250) 7.464 12.079 ( -0.000 -0.138 18.514) 18.515 13.466 ( 0.000 0.104 -18.810) 18.810 13.823 ( 0.000 2.613 3.402) 4.290 14.138 ( -0.000 -3.666 -5.530) 6.635 14.304 ( -0.000 -8.136 3.658) 8.921 14.481 ( -0.000 -12.074 -1.762) 12.202 15.099 ( 0.000 11.143 8.345) 13.922 15.530 ( 0.000 9.953 -3.977) 10.718 15.956 ( -0.000 -0.616 0.951) 1.133 16.042 ( -0.000 -0.796 -1.207) 1.446 ======================= Grid point 163 (62/93) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 0.000 0.000 6.915) 6.915 2.124 ( 0.000 0.000 15.593) 15.593 2.227 ( -0.000 -0.000 5.028) 5.028 2.423 ( 0.000 0.000 -3.421) 3.421 2.752 ( 0.000 0.000 -10.845) 10.845 2.782 ( 0.000 0.000 3.059) 3.059 2.874 ( 0.000 0.000 -3.510) 3.510 3.042 ( 0.000 0.000 -3.625) 3.625 3.130 ( 0.000 0.000 -5.376) 5.376 3.133 ( 0.000 0.000 6.915) 6.915 3.185 ( 0.000 0.000 -11.171) 11.171 3.359 ( 0.000 0.000 -3.043) 3.043 3.608 ( 0.000 0.000 2.627) 2.627 3.731 ( 0.000 0.000 15.611) 15.611 3.774 ( 0.000 0.000 -7.173) 7.173 4.002 ( 0.000 0.000 3.968) 3.968 4.300 ( 0.000 0.000 5.915) 5.915 4.354 ( -0.000 -0.000 14.207) 14.207 4.540 ( 0.000 0.000 3.641) 3.641 4.781 ( 0.000 0.000 -9.595) 9.595 4.915 ( 0.000 0.000 3.353) 3.353 5.026 ( 0.000 0.000 -6.604) 6.604 5.352 ( 0.000 0.000 7.955) 7.955 5.363 ( -0.000 -0.000 -18.091) 18.091 5.610 ( 0.000 0.000 2.139) 2.139 5.636 ( 0.000 0.000 -17.919) 17.919 5.778 ( 0.000 0.000 -5.508) 5.508 5.859 ( 0.000 0.000 -0.078) 0.078 6.031 ( 0.000 0.000 -11.837) 11.837 6.103 ( 0.000 0.000 1.477) 1.477 6.352 ( -0.000 -0.000 -6.539) 6.539 6.355 ( 0.000 0.000 16.975) 16.975 6.360 ( 0.000 0.000 -6.898) 6.898 6.393 ( 0.000 0.000 6.498) 6.498 6.532 ( 0.000 0.000 6.751) 6.751 6.860 ( 0.000 0.000 -2.645) 2.645 6.917 ( 0.000 0.000 9.994) 9.994 6.979 ( 0.000 0.000 1.730) 1.730 7.016 ( 0.000 0.000 2.224) 2.224 7.308 ( 0.000 0.000 -4.439) 4.439 7.399 ( 0.000 0.000 15.812) 15.812 7.627 ( 0.000 0.000 5.186) 5.186 7.660 ( 0.000 0.000 1.416) 1.416 7.761 ( 0.000 0.000 1.197) 1.197 7.785 ( 0.000 0.000 0.673) 0.673 8.075 ( 0.000 0.000 -6.404) 6.404 8.175 ( 0.000 0.000 -5.875) 5.875 8.211 ( 0.000 0.000 -8.582) 8.582 8.465 ( 0.000 0.000 0.090) 0.090 8.573 ( 0.000 0.000 -3.438) 3.438 8.689 ( 0.000 0.000 -0.119) 0.119 8.830 ( 0.000 0.000 7.065) 7.065 9.235 ( 0.000 0.000 -10.362) 10.362 9.236 ( 0.000 0.000 2.621) 2.621 9.621 ( 0.000 0.000 -1.207) 1.207 9.658 ( 0.000 0.000 -6.630) 6.630 10.139 ( 0.000 0.000 10.955) 10.955 10.386 ( -0.000 -0.000 -0.737) 0.737 10.426 ( -0.000 -0.000 -0.880) 0.880 10.526 ( 0.000 0.000 3.367) 3.367 11.119 ( 0.000 0.000 3.463) 3.463 11.576 ( 0.000 0.000 -5.569) 5.569 12.076 ( 0.000 0.000 18.894) 18.894 13.467 ( 0.000 0.000 -17.918) 17.918 13.940 ( 0.000 0.000 0.176) 0.176 13.976 ( 0.000 0.000 -0.733) 0.733 14.199 ( 0.000 0.000 0.283) 0.283 14.207 ( 0.000 0.000 0.074) 0.074 15.304 ( 0.000 0.000 7.241) 7.241 15.717 ( 0.000 0.000 -4.178) 4.178 15.949 ( 0.000 0.000 0.626) 0.626 16.029 ( 0.000 0.000 -1.416) 1.416 ======================= Grid point 210 (63/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.000 0.000 25.040) 25.040 1.039 ( 0.000 0.000 27.323) 27.323 1.379 ( 0.000 0.000 -22.351) 22.351 1.513 ( 0.000 0.000 -23.845) 23.845 1.962 ( 0.000 0.000 47.458) 47.458 2.638 ( 0.000 0.000 16.400) 16.400 2.702 ( 0.000 0.000 -30.908) 30.908 2.905 ( 0.000 0.000 -12.144) 12.144 3.091 ( 0.000 0.000 2.370) 2.370 3.170 ( 0.000 0.000 -7.610) 7.610 3.332 ( 0.000 0.000 3.350) 3.350 3.405 ( 0.000 0.000 -4.646) 4.646 3.805 ( 0.000 0.000 11.134) 11.134 3.973 ( 0.000 0.000 -8.329) 8.329 4.123 ( 0.000 0.000 6.415) 6.415 4.224 ( 0.000 0.000 -4.489) 4.489 4.346 ( 0.000 0.000 13.913) 13.913 4.533 ( 0.000 0.000 -0.792) 0.792 4.549 ( 0.000 0.000 -4.825) 4.825 4.568 ( 0.000 0.000 -8.930) 8.930 4.717 ( 0.000 0.000 3.800) 3.800 4.777 ( 0.000 0.000 -3.237) 3.237 5.383 ( 0.000 0.000 -3.540) 3.540 5.389 ( 0.000 0.000 -3.566) 3.566 5.600 ( 0.000 0.000 7.372) 7.372 5.622 ( 0.000 0.000 13.231) 13.231 5.759 ( 0.000 0.000 -8.819) 8.819 5.830 ( 0.000 0.000 -8.686) 8.686 5.936 ( 0.000 0.000 0.292) 0.292 5.945 ( 0.000 0.000 -1.095) 1.095 6.031 ( 0.000 0.000 1.279) 1.279 6.057 ( 0.000 0.000 -1.708) 1.708 6.141 ( 0.000 0.000 10.777) 10.777 6.397 ( 0.000 0.000 -16.044) 16.044 6.891 ( 0.000 0.000 3.692) 3.692 6.942 ( 0.000 0.000 -1.849) 1.849 6.947 ( 0.000 0.000 4.304) 4.304 7.047 ( 0.000 0.000 -6.269) 6.269 7.519 ( 0.000 0.000 5.289) 5.289 7.538 ( 0.000 0.000 22.516) 22.516 7.584 ( 0.000 0.000 -1.549) 1.549 7.805 ( 0.000 0.000 4.367) 4.367 7.891 ( 0.000 0.000 -13.250) 13.250 7.905 ( 0.000 0.000 -5.770) 5.770 7.961 ( 0.000 0.000 10.775) 10.775 8.164 ( 0.000 0.000 -13.223) 13.223 8.254 ( 0.000 0.000 7.576) 7.576 8.357 ( 0.000 0.000 -4.169) 4.169 8.413 ( 0.000 0.000 10.899) 10.899 8.527 ( 0.000 0.000 4.598) 4.598 8.624 ( 0.000 0.000 -5.396) 5.396 8.657 ( 0.000 0.000 -14.362) 14.362 8.868 ( 0.000 0.000 2.920) 2.920 8.940 ( 0.000 0.000 -5.239) 5.239 9.389 ( 0.000 0.000 3.533) 3.533 9.436 ( 0.000 0.000 -1.789) 1.789 9.615 ( 0.000 0.000 3.581) 3.581 9.656 ( 0.000 0.000 -1.305) 1.305 10.949 ( 0.000 0.000 6.269) 6.269 11.054 ( 0.000 0.000 -4.860) 4.860 11.427 ( 0.000 0.000 3.464) 3.464 11.496 ( 0.000 0.000 -3.766) 3.766 12.457 ( 0.000 0.000 0.791) 0.791 12.473 ( 0.000 0.000 -0.919) 0.919 14.021 ( 0.000 0.000 0.287) 0.287 14.025 ( 0.000 0.000 -0.171) 0.171 14.152 ( 0.000 0.000 0.112) 0.112 14.155 ( 0.000 0.000 -0.159) 0.159 15.841 ( 0.000 0.000 0.302) 0.302 15.848 ( 0.000 0.000 -0.378) 0.378 15.890 ( 0.000 0.000 1.119) 1.119 15.911 ( 0.000 0.000 -1.038) 1.038 ======================= Grid point 211 (64/93) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 7.109 -5.945 22.741) 24.557 1.138 ( 10.716 -8.554 22.563) 26.402 1.471 ( 7.026 -4.186 -20.774) 22.326 1.563 ( 4.540 -4.480 -22.869) 23.742 2.093 ( 3.202 -12.821 39.680) 41.823 2.662 ( 1.218 2.550 -17.440) 17.667 2.676 ( 5.601 -0.421 13.922) 15.013 2.911 ( 1.111 1.261 -9.512) 9.659 3.072 ( -0.972 1.854 1.249) 2.438 3.171 ( -0.144 -0.007 -10.378) 10.379 3.388 ( -0.475 -6.893 1.441) 7.058 3.438 ( -1.099 -3.632 -3.429) 5.115 3.787 ( 4.181 3.964 11.012) 12.428 3.956 ( 2.072 3.014 -8.007) 8.803 4.079 ( -3.116 2.814 5.962) 7.292 4.203 ( -3.984 2.567 -7.188) 8.610 4.429 ( -5.789 -8.852 10.206) 14.697 4.521 ( 0.132 0.455 -1.569) 1.639 4.583 ( 4.765 -2.863 -3.812) 6.740 4.602 ( 1.159 -1.350 -1.558) 2.365 4.750 ( -2.005 -5.509 3.715) 6.941 4.880 ( -4.288 -12.465 -10.320) 16.741 5.350 ( -3.252 1.939 -2.110) 4.334 5.369 ( -2.673 0.677 -3.816) 4.708 5.580 ( 2.736 3.303 6.825) 8.061 5.667 ( 2.141 -1.799 11.898) 12.222 5.712 ( 2.274 5.344 -4.747) 7.501 5.867 ( -2.409 -0.298 -3.760) 4.475 5.884 ( -5.461 -0.869 -4.676) 7.241 5.905 ( -3.600 -0.582 -4.195) 5.559 6.002 ( 4.009 5.432 1.652) 6.950 6.030 ( 7.835 4.685 -1.181) 9.205 6.201 ( 1.659 -2.629 5.807) 6.587 6.367 ( -4.034 0.533 -10.692) 11.440 6.877 ( 0.824 3.073 0.811) 3.283 6.899 ( -1.000 4.077 -0.994) 4.314 6.979 ( 2.017 -1.700 4.258) 5.009 7.081 ( 5.366 0.107 -6.803) 8.665 7.432 ( 0.478 8.563 8.766) 12.263 7.506 ( 1.558 6.970 8.016) 10.736 7.564 ( 7.476 5.913 6.557) 11.569 7.801 ( -0.147 5.333 -2.698) 5.979 7.823 ( 3.295 0.019 1.637) 3.679 7.918 ( 2.105 -0.548 -6.124) 6.499 8.061 ( -1.655 -7.627 4.113) 8.822 8.192 ( -4.051 -2.796 -7.253) 8.765 8.239 ( -2.467 0.669 1.861) 3.162 8.294 ( -3.798 4.099 -2.260) 6.028 8.346 ( -4.983 0.067 9.846) 11.035 8.512 ( 1.571 5.045 5.056) 7.314 8.582 ( -1.228 -1.744 -5.319) 5.730 8.687 ( 5.467 -0.400 -7.406) 9.214 8.856 ( -0.467 1.522 -0.973) 1.866 8.911 ( 1.521 2.255 -7.984) 8.434 9.448 ( -3.115 -6.828 5.756) 9.458 9.540 ( -2.683 -9.652 -4.344) 10.919 9.750 ( 3.868 -9.305 2.944) 10.498 9.803 ( 4.886 -14.596 -3.022) 15.686 10.928 ( -0.525 2.244 6.351) 6.756 11.021 ( -0.760 2.938 -2.501) 3.932 11.381 ( -6.176 1.382 2.619) 6.849 11.456 ( -2.760 2.653 -4.611) 5.993 12.460 ( 8.259 1.967 6.568) 10.734 12.586 ( 8.500 -5.019 -6.882) 12.033 13.977 ( -7.341 0.218 4.482) 8.604 14.040 ( -5.965 -2.718 -1.954) 6.840 14.141 ( 2.385 0.476 2.015) 3.158 14.173 ( 2.271 -1.306 -1.258) 2.906 15.717 ( -1.201 9.273 2.111) 9.586 15.751 ( -2.209 7.922 -1.634) 8.385 15.920 ( 0.167 -1.935 1.328) 2.353 15.948 ( -0.500 -2.057 -1.735) 2.737 ======================= Grid point 212 (65/93) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 4.787 -12.029 15.762) 20.397 1.480 ( 18.108 -12.520 14.725) 26.486 1.590 ( 1.546 -5.968 -17.726) 18.768 1.772 ( 13.497 -7.852 -16.582) 22.777 2.419 ( 8.739 -15.370 23.890) 29.721 2.646 ( 5.402 4.917 -0.442) 7.319 2.726 ( 5.086 1.531 10.301) 11.590 2.908 ( 0.513 -1.799 -9.606) 9.787 3.000 ( -1.943 2.398 5.717) 6.497 3.186 ( -1.937 -0.813 -11.703) 11.890 3.493 ( -0.811 -4.413 0.817) 4.561 3.520 ( -1.258 -7.090 -2.169) 7.520 3.760 ( 6.488 4.347 10.616) 13.179 3.904 ( -1.199 3.183 -4.689) 5.792 4.007 ( -3.849 1.047 -0.680) 4.047 4.069 ( -4.886 5.445 -7.047) 10.157 4.468 ( -3.895 -2.659 5.193) 7.015 4.523 ( 1.613 1.655 -1.577) 2.797 4.594 ( -0.587 1.877 3.001) 3.588 4.716 ( 4.018 -4.304 -7.319) 9.393 4.885 ( -2.184 -11.056 6.263) 12.894 5.048 ( -10.151 -12.131 -9.526) 18.465 5.254 ( -6.197 3.683 2.083) 7.504 5.325 ( -5.375 -0.298 -4.804) 7.215 5.508 ( 4.617 6.713 5.525) 9.844 5.606 ( 0.922 7.214 -3.092) 7.903 5.753 ( 5.055 -2.938 8.229) 10.095 5.791 ( -3.780 1.026 3.773) 5.438 5.891 ( -2.752 -1.022 -6.528) 7.158 5.925 ( 2.428 0.176 -8.748) 9.080 5.956 ( -1.543 0.916 1.416) 2.285 6.026 ( 2.573 1.129 -5.702) 6.356 6.245 ( 3.590 -0.373 5.463) 6.548 6.350 ( 1.205 -1.398 -4.859) 5.198 6.716 ( 0.640 16.140 2.027) 16.279 6.772 ( -2.052 10.568 -3.582) 11.346 7.009 ( -0.773 -0.368 3.716) 3.813 7.107 ( 3.138 2.185 -6.930) 7.915 7.291 ( 3.700 9.388 5.838) 11.658 7.375 ( 4.865 9.463 -1.471) 10.741 7.499 ( 4.289 6.452 14.063) 16.056 7.701 ( -0.368 4.838 -2.680) 5.543 7.860 ( 1.960 3.398 0.832) 4.010 7.898 ( -1.920 2.992 -2.989) 4.645 8.110 ( -2.666 -0.103 4.739) 5.439 8.170 ( 0.018 -1.845 0.867) 2.038 8.212 ( 0.548 -3.804 4.257) 5.736 8.299 ( -3.652 -3.935 3.960) 6.671 8.373 ( -1.109 -4.374 -4.583) 6.432 8.496 ( 3.133 -1.056 11.835) 12.288 8.573 ( -6.614 -2.145 -12.919) 14.672 8.745 ( 1.491 1.174 -11.180) 11.340 8.835 ( 2.690 -1.942 3.035) 4.497 8.942 ( 4.803 -1.280 -8.878) 10.175 9.532 ( -7.156 -7.823 7.954) 13.255 9.656 ( -7.044 -8.686 -5.224) 12.343 9.999 ( 7.923 -11.086 5.385) 14.651 10.114 ( 7.002 -12.813 -6.868) 16.136 10.859 ( -1.946 4.133 7.576) 8.847 10.960 ( -0.512 3.054 -1.398) 3.398 11.281 ( -7.311 2.561 1.666) 7.924 11.368 ( -3.252 3.753 -5.914) 7.723 12.525 ( 10.629 1.171 12.996) 16.830 12.770 ( 10.870 -4.796 -12.946) 17.571 13.883 ( -9.727 0.473 9.018) 13.273 14.016 ( -7.700 -2.265 -4.515) 9.209 14.192 ( 4.295 -2.760 4.202) 6.612 14.264 ( 4.445 -5.136 -3.394) 7.593 15.540 ( -1.484 9.244 0.353) 9.369 15.557 ( -3.176 10.611 -1.364) 11.160 15.957 ( 0.183 -2.004 0.860) 2.189 15.976 ( -0.338 -1.866 -1.059) 2.172 ======================= Grid point 213 (66/93) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 5.221 -13.897 7.752) 16.747 1.731 ( 1.283 -8.393 -10.589) 13.573 1.879 ( 17.031 -13.475 9.142) 23.563 2.054 ( 14.208 -8.913 -9.278) 19.168 2.548 ( 2.067 9.063 6.221) 11.185 2.614 ( 4.974 5.080 0.845) 7.159 2.797 ( 5.770 -6.767 11.245) 14.337 2.943 ( -0.630 -1.072 -2.636) 2.915 3.008 ( 1.807 -1.934 3.570) 4.444 3.150 ( -4.349 0.659 -7.397) 8.606 3.573 ( 1.250 -4.326 1.934) 4.901 3.596 ( -0.663 -2.698 -0.393) 2.806 3.754 ( 4.692 2.696 7.605) 9.334 3.864 ( -4.743 -3.109 -2.402) 6.159 3.925 ( -8.815 -0.198 0.044) 8.817 4.015 ( 0.268 1.643 -8.196) 8.363 4.471 ( 8.291 7.793 2.950) 11.755 4.492 ( -1.520 -3.203 7.408) 8.213 4.551 ( 0.512 3.043 -0.650) 3.154 4.784 ( -1.411 -1.864 -13.943) 14.138 5.005 ( -5.316 -5.533 4.855) 9.080 5.077 ( -9.022 -3.135 -0.630) 9.572 5.173 ( -6.305 -2.529 4.949) 8.404 5.308 ( -3.624 -3.143 -7.585) 8.975 5.483 ( 2.670 0.924 2.335) 3.666 5.518 ( -1.704 1.255 -0.484) 2.172 5.726 ( -0.507 4.789 4.168) 6.369 5.822 ( -4.315 3.158 -3.830) 6.578 5.834 ( 2.671 -0.098 4.171) 4.954 5.940 ( 2.635 -0.405 -6.509) 7.034 5.990 ( -0.110 -4.665 -1.973) 5.067 6.033 ( -0.244 0.304 -5.069) 5.084 6.308 ( 4.851 -1.688 6.829) 8.545 6.357 ( 0.970 16.371 4.020) 16.885 6.457 ( 6.790 1.534 -5.798) 9.060 6.508 ( 1.286 16.062 -8.891) 18.404 6.959 ( -3.683 4.490 3.956) 7.027 7.025 ( -3.314 7.776 -1.856) 8.654 7.191 ( 3.540 4.828 2.439) 6.464 7.261 ( 2.486 6.375 -3.579) 7.722 7.467 ( 4.331 2.312 12.898) 13.801 7.637 ( 0.680 2.970 -1.041) 3.220 7.737 ( -4.624 4.781 2.118) 6.981 7.828 ( -3.896 2.229 -5.317) 6.958 8.132 ( 0.727 -0.863 9.771) 9.836 8.211 ( 3.268 0.154 6.217) 7.025 8.297 ( 7.136 -1.032 -1.768) 7.424 8.340 ( -2.875 -3.057 7.828) 8.882 8.421 ( -2.148 -3.599 -9.733) 10.597 8.531 ( -4.013 -2.782 -2.743) 5.601 8.617 ( -2.044 -7.559 -2.088) 8.104 8.745 ( -0.234 -2.808 -5.133) 5.855 8.920 ( 3.621 -2.273 0.996) 4.390 9.014 ( 5.513 -0.784 -8.961) 10.550 9.585 ( -8.061 -6.525 8.978) 13.717 9.717 ( -7.128 -6.014 -4.966) 10.566 10.248 ( 7.956 -8.322 5.288) 12.670 10.366 ( 7.618 -8.117 -6.732) 13.009 10.761 ( -2.780 4.151 8.567) 9.917 10.902 ( -1.627 2.572 -4.445) 5.387 11.165 ( -5.789 3.296 3.155) 7.371 11.271 ( -2.860 3.948 -6.348) 8.004 12.604 ( 8.909 0.622 18.027) 20.118 12.938 ( 8.892 -3.382 -17.300) 19.743 13.798 ( -7.034 0.104 10.214) 12.402 13.985 ( -6.395 -1.871 -8.612) 10.889 14.316 ( 5.057 -6.179 6.677) 10.409 14.420 ( 4.509 -7.498 -4.803) 9.981 15.332 ( -3.569 11.038 1.088) 11.652 15.363 ( -2.137 9.248 -2.168) 9.736 15.991 ( -0.108 -1.791 1.121) 2.116 16.011 ( 0.078 -2.109 -1.028) 2.347 ======================= Grid point 214 (67/93) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 4.454 -9.763 2.697) 11.064 1.881 ( 0.752 -6.744 -3.630) 7.696 2.213 ( 8.971 -5.157 6.410) 12.172 2.284 ( 6.615 -4.909 0.393) 8.247 2.454 ( 5.765 2.748 -0.336) 6.395 2.518 ( 0.879 4.664 -4.976) 6.877 2.906 ( 4.096 0.420 4.143) 5.841 2.958 ( -0.735 -1.308 0.860) 1.729 3.041 ( 0.408 -1.903 1.633) 2.540 3.116 ( -2.035 -0.825 -4.094) 4.645 3.614 ( -0.342 -1.357 3.224) 3.514 3.636 ( 0.016 -0.429 0.680) 0.804 3.768 ( 0.275 1.708 6.398) 6.628 3.841 ( -10.497 -0.747 1.476) 10.627 3.899 ( -3.954 -3.176 -1.065) 5.182 3.948 ( 3.194 4.299 -6.700) 8.577 4.453 ( 10.522 4.155 1.836) 11.460 4.501 ( 6.209 4.450 -4.366) 8.799 4.579 ( -3.018 -7.102 10.082) 12.696 4.757 ( -4.076 1.000 -3.995) 5.794 5.031 ( -3.578 -3.279 2.941) 5.675 5.085 ( -4.236 -5.128 -4.179) 7.855 5.197 ( -5.945 -6.670 4.214) 9.879 5.323 ( -2.495 -0.809 -8.711) 9.097 5.486 ( -2.672 0.197 4.816) 5.511 5.528 ( -3.835 -4.050 3.228) 6.444 5.639 ( 1.320 2.843 -1.358) 3.416 5.706 ( 0.215 7.637 -6.262) 9.879 5.852 ( 1.859 1.336 2.786) 3.606 5.923 ( -1.265 6.747 -1.568) 7.041 5.987 ( 0.039 -0.370 -3.571) 3.590 6.016 ( 2.115 9.738 -0.885) 10.004 6.137 ( 4.491 0.772 4.251) 6.232 6.320 ( 4.297 7.426 -12.917) 15.507 6.396 ( 4.144 -1.935 7.459) 8.749 6.550 ( 3.678 -2.667 -8.743) 9.853 6.795 ( -5.791 6.813 4.109) 9.841 6.838 ( -5.458 6.805 -0.196) 8.726 7.168 ( 2.007 1.181 2.221) 3.218 7.239 ( 1.799 -0.594 -4.777) 5.139 7.463 ( 2.877 2.321 9.328) 10.034 7.594 ( 1.233 3.129 -0.861) 3.471 7.640 ( -2.437 2.336 5.546) 6.493 7.773 ( -3.392 -0.000 -6.316) 7.170 8.134 ( -2.133 -0.865 11.141) 11.377 8.201 ( 0.484 2.867 8.910) 9.372 8.333 ( 1.557 1.427 -2.999) 3.668 8.363 ( 3.492 -0.216 -8.749) 9.423 8.488 ( 1.025 -3.739 -0.316) 3.890 8.556 ( -4.106 -3.622 -5.400) 7.690 8.725 ( -1.010 -5.811 5.387) 7.988 8.835 ( 0.553 -6.009 -1.581) 6.238 8.964 ( 2.144 0.407 1.192) 2.487 9.057 ( 3.942 1.168 -9.685) 10.522 9.614 ( -5.516 -4.112 8.513) 10.945 9.741 ( -4.569 -3.103 -4.963) 7.425 10.433 ( 6.839 -4.906 5.515) 10.063 10.545 ( 6.632 -4.625 -5.280) 9.657 10.667 ( -2.972 3.311 7.452) 8.679 10.834 ( -4.248 2.100 -9.011) 10.181 11.073 ( -2.684 2.189 5.620) 6.601 11.184 ( -1.891 3.083 -5.568) 6.640 12.662 ( 4.975 0.254 20.991) 21.574 13.046 ( 4.797 -1.601 -19.371) 20.020 13.748 ( -3.541 -0.043 10.136) 10.737 13.965 ( -3.430 -1.133 -11.770) 12.312 14.491 ( 4.610 -8.085 6.697) 11.466 14.593 ( 3.500 -6.966 -4.710) 9.108 15.117 ( -3.209 9.119 3.610) 10.320 15.181 ( -2.619 8.607 -3.301) 9.583 16.017 ( -0.082 -1.193 1.531) 1.943 16.043 ( 0.064 -1.335 -1.274) 1.847 ======================= Grid point 215 (68/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 0.000 -0.000 0.926) 0.926 1.952 ( -0.000 -0.000 -0.084) 0.084 2.217 ( 0.000 -0.000 8.256) 8.256 2.363 ( 0.000 -0.000 -6.392) 6.392 2.483 ( 0.000 -0.000 0.289) 0.289 2.526 ( 0.000 -0.000 -4.562) 4.562 2.909 ( -0.000 -0.000 4.450) 4.450 2.964 ( -0.000 -0.000 2.155) 2.155 3.087 ( 0.000 0.000 -1.176) 1.176 3.122 ( 0.000 -0.000 -2.052) 2.052 3.631 ( -0.000 -0.000 2.268) 2.268 3.637 ( 0.000 -0.000 3.761) 3.761 3.712 ( 0.000 -0.000 0.605) 0.605 3.739 ( -0.000 -0.000 0.136) 0.136 3.935 ( 0.000 -0.000 -0.378) 0.378 3.946 ( 0.000 -0.000 -0.544) 0.544 4.478 ( 0.000 -0.000 -3.118) 3.118 4.496 ( -0.000 -0.000 -4.545) 4.545 4.638 ( -0.000 0.000 10.703) 10.703 4.716 ( 0.000 -0.000 3.550) 3.550 5.050 ( 0.000 -0.000 3.205) 3.205 5.137 ( -0.000 0.000 -6.176) 6.176 5.246 ( 0.000 -0.000 2.743) 2.743 5.311 ( 0.000 -0.000 -4.655) 4.655 5.447 ( 0.000 -0.000 2.009) 2.009 5.532 ( 0.000 -0.000 -7.601) 7.601 5.595 ( 0.000 0.000 6.205) 6.205 5.686 ( -0.000 -0.000 -2.172) 2.172 5.805 ( 0.000 -0.000 3.072) 3.072 5.836 ( 0.000 0.000 -1.876) 1.876 5.937 ( 0.000 -0.000 2.168) 2.168 6.009 ( -0.000 -0.000 -5.993) 5.993 6.173 ( 0.000 -0.000 -0.233) 0.233 6.274 ( 0.000 -0.000 -10.687) 10.687 6.441 ( 0.000 -0.000 6.721) 6.721 6.598 ( 0.000 -0.000 -8.948) 8.948 6.694 ( -0.000 -0.000 3.606) 3.606 6.739 ( 0.000 -0.000 0.007) 0.007 7.171 ( -0.000 -0.000 3.117) 3.117 7.264 ( 0.000 -0.000 -5.622) 5.622 7.454 ( 0.000 -0.000 6.694) 6.694 7.561 ( 0.000 -0.000 -2.899) 2.899 7.612 ( 0.000 -0.000 9.460) 9.460 7.758 ( 0.000 -0.000 -6.191) 6.191 8.136 ( 0.000 0.000 11.596) 11.596 8.163 ( -0.000 -0.000 7.408) 7.408 8.329 ( 0.000 -0.000 -4.052) 4.052 8.380 ( -0.000 -0.000 -9.504) 9.504 8.533 ( -0.000 -0.000 0.584) 0.584 8.566 ( 0.000 0.000 -4.938) 4.938 8.778 ( 0.000 -0.000 8.723) 8.723 8.913 ( 0.000 0.000 -1.044) 1.044 8.955 ( 0.000 -0.000 2.098) 2.098 9.058 ( 0.000 -0.000 -10.955) 10.955 9.625 ( 0.000 -0.000 7.917) 7.917 9.746 ( 0.000 -0.000 -5.003) 5.003 10.545 ( 0.000 -0.000 5.338) 5.338 10.566 ( -0.000 -0.000 8.581) 8.581 10.659 ( -0.000 -0.000 -5.071) 5.071 10.772 ( 0.000 -0.000 -11.676) 11.676 11.043 ( 0.000 -0.000 5.987) 5.987 11.144 ( 0.000 -0.000 -4.742) 4.742 12.684 ( 0.000 -0.000 21.945) 21.945 13.083 ( 0.000 -0.000 -19.825) 19.825 13.732 ( 0.000 -0.000 10.010) 10.010 13.959 ( -0.000 -0.000 -12.968) 12.968 14.627 ( 0.000 -0.000 4.044) 4.044 14.670 ( 0.000 -0.000 -1.348) 1.348 15.012 ( 0.000 -0.000 2.995) 2.995 15.063 ( 0.000 -0.000 -2.815) 2.815 16.028 ( 0.000 -0.000 1.649) 1.649 16.056 ( -0.000 -0.000 -1.347) 1.347 ======================= Grid point 222 (69/93) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 7.797 0.000 24.634) 25.838 1.222 ( 23.752 0.000 18.932) 30.374 1.559 ( 5.508 0.000 -22.693) 23.352 1.582 ( 19.150 0.000 -19.019) 26.990 2.012 ( 7.208 0.000 42.315) 42.925 2.666 ( -1.240 -0.000 -27.012) 27.040 2.744 ( 8.642 0.000 15.166) 17.456 2.974 ( 4.538 0.000 -8.711) 9.822 3.083 ( -0.548 -0.000 3.057) 3.105 3.170 ( -0.038 -0.000 -7.610) 7.610 3.328 ( -0.734 -0.000 1.416) 1.595 3.372 ( -3.030 -0.000 -3.383) 4.541 3.880 ( 6.988 0.000 8.848) 11.275 4.000 ( -0.255 -0.000 -3.166) 3.176 4.074 ( -3.523 -0.000 4.709) 5.881 4.170 ( -5.644 -0.000 -4.637) 7.304 4.309 ( -1.013 -0.000 11.445) 11.490 4.536 ( -0.246 -0.000 -12.190) 12.192 4.541 ( -1.747 -0.000 1.045) 2.036 4.567 ( -0.424 -0.000 -3.183) 3.211 4.698 ( 0.465 0.000 3.910) 3.938 4.773 ( 0.465 0.000 -4.183) 4.209 5.317 ( -5.829 -0.000 -0.351) 5.840 5.363 ( -2.366 -0.000 -5.120) 5.640 5.633 ( 1.487 0.000 7.400) 7.548 5.676 ( 4.124 0.000 10.540) 11.318 5.808 ( -4.778 -0.000 -7.182) 8.626 5.813 ( -4.074 -0.000 -1.177) 4.241 5.815 ( 1.490 0.000 -2.194) 2.652 5.880 ( 1.782 0.000 -6.945) 7.170 6.107 ( -3.270 -0.000 4.387) 5.472 6.165 ( 2.019 0.000 -1.506) 2.519 6.178 ( 9.249 0.000 1.751) 9.414 6.302 ( -4.645 -0.000 -10.408) 11.398 6.908 ( 2.094 0.000 1.317) 2.474 6.936 ( 1.034 0.000 -1.467) 1.795 7.000 ( 4.099 0.000 7.070) 8.172 7.146 ( 6.428 0.000 -8.817) 10.911 7.507 ( 0.420 0.000 17.570) 17.575 7.645 ( 6.599 0.000 12.288) 13.948 7.660 ( 2.874 0.000 0.072) 2.875 7.852 ( 5.184 0.000 -2.343) 5.689 7.892 ( -2.539 -0.000 -2.867) 3.830 7.906 ( 1.459 0.000 -11.427) 11.520 7.950 ( 1.231 0.000 8.363) 8.453 8.137 ( -2.982 -0.000 -11.577) 11.955 8.195 ( -5.861 -0.000 4.263) 7.247 8.267 ( -7.844 -0.000 -4.362) 8.975 8.313 ( -5.522 -0.000 7.726) 9.497 8.510 ( -4.615 -0.000 -13.407) 14.179 8.643 ( 8.228 0.000 7.233) 10.955 8.738 ( 1.677 0.000 -3.027) 3.461 8.853 ( -1.457 -0.000 3.011) 3.345 8.966 ( 3.405 0.000 -9.089) 9.705 9.392 ( 0.837 0.000 4.252) 4.333 9.449 ( 1.402 0.000 -2.127) 2.547 9.682 ( 2.676 0.000 0.483) 2.719 9.688 ( 6.861 0.000 -0.174) 6.863 10.941 ( -1.471 -0.000 5.341) 5.540 11.031 ( -2.723 -0.000 -4.282) 5.075 11.320 ( -7.955 -0.000 8.006) 11.286 11.448 ( -3.596 -0.000 -6.057) 7.044 12.605 ( 11.613 0.000 2.216) 11.823 12.631 ( 14.690 0.000 -0.901) 14.717 13.906 ( -9.618 -0.000 3.485) 10.230 13.953 ( -6.940 -0.000 -1.837) 7.179 14.156 ( 0.405 0.000 0.136) 0.427 14.160 ( 0.446 0.000 -0.218) 0.496 15.796 ( -4.978 -0.000 -0.273) 4.985 15.796 ( -4.019 -0.000 -0.401) 4.039 15.902 ( 1.175 0.000 0.525) 1.286 15.914 ( 0.426 0.000 -0.709) 0.827 ======================= Grid point 223 (70/93) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 10.496 -2.718 19.800) 22.575 1.491 ( 17.756 -5.862 10.594) 21.491 1.613 ( 12.143 0.656 -14.060) 18.589 1.819 ( 19.446 -4.167 -16.396) 25.775 2.249 ( 14.133 -13.765 30.981) 36.730 2.718 ( 4.722 -4.294 -17.491) 18.619 2.817 ( 7.098 0.728 12.366) 14.277 2.939 ( 1.944 5.785 -0.922) 6.172 3.050 ( -0.767 4.284 0.643) 4.399 3.157 ( -2.047 -0.072 -10.530) 10.728 3.365 ( -2.413 -6.237 1.478) 6.848 3.405 ( -2.406 -4.967 -2.727) 6.156 3.901 ( 4.052 4.387 6.356) 8.721 3.936 ( -3.847 3.199 3.755) 6.255 4.026 ( -3.042 3.636 -0.673) 4.788 4.109 ( -2.289 1.181 -6.812) 7.283 4.317 ( -5.680 -2.661 10.405) 12.149 4.471 ( -4.390 -0.626 -4.011) 5.980 4.661 ( 4.730 -7.339 -0.692) 8.759 4.689 ( -0.336 0.441 4.212) 4.248 4.707 ( 2.003 -11.319 -6.097) 13.011 4.808 ( 1.195 -2.032 -7.860) 8.206 5.244 ( -6.545 1.869 1.139) 6.901 5.316 ( -2.875 2.373 -5.763) 6.864 5.608 ( -2.060 2.230 5.126) 5.957 5.676 ( -6.841 3.245 0.848) 7.619 5.747 ( 2.490 -1.126 5.115) 5.799 5.783 ( 1.173 0.114 1.785) 2.139 5.873 ( 3.547 -0.149 -5.762) 6.768 5.908 ( -0.525 -0.576 -4.293) 4.363 6.036 ( 0.106 4.101 -2.463) 4.785 6.084 ( -3.860 2.601 -6.489) 7.986 6.267 ( 6.036 -0.515 3.816) 7.159 6.329 ( 3.543 -1.225 -2.637) 4.583 6.892 ( 0.966 4.606 1.390) 4.907 6.909 ( 0.768 5.775 -0.200) 5.829 7.028 ( 2.547 0.853 6.961) 7.462 7.173 ( 2.523 1.786 -8.298) 8.855 7.466 ( 3.649 5.409 10.140) 12.058 7.555 ( 2.353 7.361 6.220) 9.919 7.688 ( 3.628 6.365 2.592) 7.771 7.767 ( -5.618 5.014 4.474) 8.759 7.901 ( -1.091 -0.761 -3.059) 3.336 7.909 ( -5.372 2.735 -6.603) 8.941 8.039 ( 0.714 -5.097 4.563) 6.878 8.104 ( -5.345 0.088 1.550) 5.566 8.145 ( -1.775 -3.638 -1.225) 4.229 8.231 ( -2.689 -3.520 -7.339) 8.572 8.287 ( 0.889 -1.374 4.251) 4.555 8.464 ( -0.854 1.176 -12.012) 12.100 8.669 ( 4.029 7.102 8.387) 11.705 8.778 ( 4.966 -3.145 -0.763) 5.928 8.830 ( -2.005 0.512 1.060) 2.325 8.974 ( 5.172 1.393 -11.393) 12.589 9.390 ( -1.752 -1.747 5.884) 6.383 9.496 ( -1.043 -3.684 -5.642) 6.819 9.847 ( 5.768 -12.611 4.700) 14.642 9.930 ( 7.566 -14.598 -4.580) 17.068 10.894 ( -3.609 2.568 5.620) 7.156 10.985 ( -3.545 1.418 -3.674) 5.299 11.245 ( -5.734 1.256 8.413) 10.258 11.397 ( -2.396 2.400 -7.476) 8.209 12.665 ( 9.728 2.787 10.101) 14.298 12.817 ( 13.886 -3.198 -6.206) 15.542 13.812 ( -7.393 0.834 5.106) 9.024 13.904 ( -7.581 -2.116 -4.082) 8.866 14.173 ( 1.332 -2.041 2.009) 3.158 14.211 ( 1.588 -4.227 -2.006) 4.941 15.675 ( -4.699 7.239 -0.218) 8.634 15.680 ( -3.162 7.383 -0.733) 8.065 15.931 ( 0.950 -1.477 0.361) 1.793 15.941 ( -0.037 -1.775 -0.653) 1.892 ======================= Grid point 224 (71/93) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 10.966 -8.885 11.651) 18.301 1.661 ( 7.375 -3.686 -12.881) 15.294 1.866 ( 20.296 -8.518 10.913) 24.568 2.078 ( 17.601 -5.476 -11.239) 21.589 2.648 ( 14.237 -13.113 16.871) 25.676 2.769 ( 6.676 10.308 5.498) 13.455 2.832 ( 5.707 3.149 2.079) 6.842 2.904 ( -1.166 -0.595 -8.081) 8.186 2.984 ( 1.185 -1.448 4.296) 4.686 3.121 ( -5.384 0.847 -7.684) 9.420 3.456 ( -3.606 -7.130 0.898) 8.040 3.489 ( -2.404 -6.841 -2.582) 7.697 3.808 ( -5.468 2.581 1.331) 6.191 3.842 ( -4.076 5.480 -1.883) 7.084 3.927 ( 2.169 4.506 7.784) 9.252 4.081 ( 1.912 3.264 -8.116) 8.954 4.326 ( -8.238 -6.837 11.767) 15.908 4.473 ( -5.700 -4.605 -4.284) 8.488 4.651 ( 4.440 4.481 5.652) 8.470 4.835 ( -1.411 -6.312 1.382) 6.614 4.848 ( -2.147 -3.505 -12.362) 13.028 4.896 ( 4.302 -4.322 -6.180) 8.683 5.129 ( -5.786 3.126 5.585) 8.628 5.255 ( -2.061 0.567 -6.388) 6.736 5.520 ( -8.747 3.327 1.480) 9.475 5.550 ( -2.916 3.268 -1.338) 4.580 5.778 ( 2.530 0.380 3.698) 4.497 5.826 ( 2.595 0.438 3.790) 4.614 5.882 ( 0.113 0.135 -3.634) 3.639 5.902 ( 1.039 -1.690 4.106) 4.560 5.989 ( 2.449 1.564 -7.055) 7.630 6.071 ( 2.904 0.511 -9.644) 10.084 6.321 ( 4.182 -0.244 4.961) 6.493 6.392 ( 3.114 -1.890 -2.822) 4.608 6.714 ( -1.057 12.704 2.843) 13.061 6.763 ( 0.812 11.514 -1.977) 11.710 7.010 ( 0.631 3.475 6.221) 7.154 7.134 ( -0.780 5.077 -6.167) 8.026 7.350 ( 1.339 10.554 4.947) 11.733 7.456 ( 2.602 9.837 -3.638) 10.806 7.570 ( 1.728 5.863 8.656) 10.597 7.650 ( -4.836 1.505 7.008) 8.647 7.744 ( -8.679 1.803 -2.527) 9.218 7.853 ( -2.193 4.796 -7.504) 9.172 8.091 ( -3.550 -1.973 8.360) 9.294 8.140 ( -3.598 -6.546 10.043) 12.516 8.244 ( -1.448 -5.850 -3.561) 7.000 8.307 ( 4.155 -4.278 2.833) 6.603 8.367 ( 2.299 -4.232 -7.942) 9.288 8.462 ( -0.868 -1.879 -12.716) 12.883 8.575 ( 2.810 4.528 8.840) 10.322 8.749 ( -0.923 3.415 -7.752) 8.522 8.908 ( 4.720 -3.485 4.992) 7.704 9.042 ( 5.938 -1.842 -9.051) 10.981 9.428 ( -2.337 -4.653 7.644) 9.249 9.564 ( -1.961 -5.565 -7.045) 9.189 10.134 ( 6.310 -12.276 6.352) 15.195 10.243 ( 6.198 -12.746 -5.254) 15.116 10.798 ( -4.338 3.592 6.471) 8.579 10.917 ( -4.918 1.964 -5.601) 7.709 11.167 ( -3.469 2.695 8.030) 9.153 11.324 ( -1.205 3.988 -7.998) 9.018 12.693 ( 4.486 1.678 17.405) 18.052 12.978 ( 9.837 -2.089 -12.630) 16.145 13.751 ( -3.385 0.365 6.288) 7.151 13.892 ( -4.021 -2.776 -7.252) 8.745 14.255 ( 2.737 -5.103 4.462) 7.310 14.333 ( 2.994 -6.999 -3.890) 8.549 15.477 ( -4.821 9.791 1.147) 10.974 15.508 ( -2.102 9.271 -2.037) 9.722 15.961 ( 0.238 -1.479 0.810) 1.703 15.976 ( 0.516 -2.008 -0.789) 2.218 ======================= Grid point 225 (72/93) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 9.878 -10.467 4.414) 15.053 1.810 ( 7.369 -4.802 -7.216) 11.377 2.202 ( 16.486 -8.734 7.712) 20.187 2.320 ( 13.260 -3.701 -4.427) 14.461 2.613 ( 4.298 10.864 5.194) 12.786 2.717 ( 5.176 11.968 -3.982) 13.634 2.903 ( 1.363 -5.004 4.462) 6.841 2.944 ( 3.990 -2.870 0.741) 4.970 3.031 ( -0.619 0.019 1.136) 1.294 3.071 ( -2.750 -1.434 -3.214) 4.466 3.530 ( -5.622 -5.022 3.260) 8.213 3.582 ( -3.316 -5.044 -2.629) 6.584 3.718 ( -4.185 0.243 1.304) 4.390 3.755 ( -6.456 0.108 -1.840) 6.714 3.881 ( 2.845 3.076 8.797) 9.744 4.025 ( -0.714 2.973 -6.017) 6.749 4.410 ( -4.326 -8.640 9.130) 13.293 4.514 ( -4.640 -4.924 -4.021) 7.870 4.623 ( 6.090 4.030 5.585) 9.194 4.840 ( 2.890 5.110 -8.755) 10.541 4.878 ( -7.258 -5.385 -2.218) 9.305 4.907 ( -6.120 -1.833 0.445) 6.404 5.111 ( 0.956 -2.077 6.074) 6.490 5.272 ( -0.646 -2.379 -8.684) 9.027 5.408 ( -7.254 -0.236 0.954) 7.320 5.462 ( -6.053 0.345 -4.548) 7.579 5.772 ( 3.626 7.504 4.755) 9.595 5.806 ( 2.445 2.190 1.329) 3.541 5.886 ( 4.560 -0.012 5.188) 6.907 5.963 ( 0.795 -2.476 -1.907) 3.224 6.045 ( 2.132 5.037 -6.790) 8.719 6.058 ( 5.670 -1.560 -7.881) 9.833 6.350 ( 0.062 -1.518 4.186) 4.453 6.383 ( 2.801 7.756 0.133) 8.248 6.551 ( 4.304 7.044 -1.074) 8.324 6.590 ( 4.135 7.672 -5.430) 10.269 6.886 ( -4.235 8.692 3.678) 10.345 6.932 ( -6.584 10.899 -0.551) 12.745 7.244 ( 1.497 4.313 -0.453) 4.588 7.279 ( -0.411 5.719 -3.530) 6.733 7.548 ( 3.017 3.938 11.821) 12.820 7.587 ( -3.433 -0.189 7.560) 8.305 7.710 ( -2.846 -2.305 -4.742) 5.991 7.731 ( -1.560 6.585 -5.749) 8.880 8.075 ( -5.011 -1.748 9.269) 10.681 8.195 ( -3.101 -2.536 12.384) 13.016 8.277 ( -7.121 -3.157 -9.267) 12.106 8.368 ( -1.596 -0.363 1.634) 2.312 8.467 ( 5.503 -3.146 -3.737) 7.358 8.530 ( 5.125 -3.433 -8.449) 10.461 8.603 ( -0.127 -4.605 3.841) 5.998 8.731 ( -1.139 -3.123 -7.143) 7.879 8.985 ( 2.826 -0.926 5.811) 6.528 9.111 ( 4.176 0.027 -7.619) 8.688 9.510 ( 2.004 -4.948 8.020) 9.634 9.648 ( 0.588 -4.767 -6.864) 8.378 10.374 ( 5.435 -8.643 6.979) 12.367 10.479 ( 3.606 -8.411 -2.824) 9.578 10.698 ( -3.301 3.232 4.184) 6.233 10.822 ( -7.073 2.338 -7.734) 10.738 11.094 ( -1.375 2.769 7.680) 8.279 11.240 ( -0.539 4.439 -7.419) 8.662 12.691 ( -0.678 0.544 21.507) 21.525 13.068 ( 4.002 -0.739 -18.040) 18.494 13.734 ( 0.423 0.122 8.165) 8.176 13.921 ( 0.477 -2.145 -10.467) 10.695 14.399 ( 4.120 -7.453 6.176) 10.520 14.502 ( 4.183 -8.072 -5.078) 10.414 15.252 ( -4.910 10.495 3.617) 12.138 15.317 ( -2.692 9.861 -3.302) 10.742 15.991 ( 0.130 -1.631 1.452) 2.187 16.016 ( 0.409 -1.872 -1.229) 2.276 ======================= Grid point 226 (73/93) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 6.005 -3.849 1.024) 7.206 1.950 ( 6.951 -4.095 -2.217) 8.366 2.324 ( 4.368 8.844 7.166) 12.192 2.408 ( 4.919 2.007 -2.000) 5.677 2.551 ( 3.210 1.879 -1.674) 4.079 2.583 ( 6.134 7.056 -3.518) 9.989 2.954 ( 1.100 1.213 4.449) 4.741 2.983 ( 2.134 0.885 3.320) 4.045 3.058 ( 1.955 -2.939 0.742) 3.607 3.114 ( 1.683 -3.617 -6.010) 7.214 3.533 ( -9.580 -5.630 3.151) 11.550 3.574 ( -6.791 -2.953 -1.057) 7.481 3.668 ( -5.742 1.341 3.646) 6.933 3.700 ( -3.746 0.400 -0.531) 3.805 3.904 ( 1.008 -1.973 3.867) 4.457 3.988 ( 0.437 1.590 -3.600) 3.960 4.452 ( -6.720 0.890 1.544) 6.952 4.510 ( -1.365 1.779 -4.983) 5.464 4.680 ( 7.057 -3.785 10.649) 13.325 4.805 ( 5.628 3.182 0.949) 6.534 4.921 ( -5.592 -9.348 3.018) 11.303 4.965 ( -7.278 -11.527 -2.795) 13.916 5.158 ( 1.564 -1.412 1.867) 2.815 5.273 ( -1.007 0.385 -9.481) 9.542 5.402 ( -4.375 -4.567 4.146) 7.562 5.471 ( -3.378 -4.154 -1.666) 5.607 5.650 ( -1.266 3.463 -0.990) 3.818 5.724 ( 0.452 10.457 -6.414) 12.275 5.904 ( 1.759 5.117 1.598) 5.642 5.948 ( 5.721 2.663 3.539) 7.235 5.995 ( 1.070 0.661 -2.925) 3.184 6.098 ( 6.342 7.484 -5.973) 11.485 6.269 ( 8.669 8.280 5.180) 13.059 6.402 ( 2.345 -0.590 -0.363) 2.445 6.438 ( 2.275 8.549 -3.120) 9.381 6.569 ( -1.779 -1.398 -8.723) 9.011 6.700 ( -3.669 3.330 5.377) 7.312 6.768 ( -1.561 3.546 -2.111) 4.412 7.183 ( -0.589 2.015 2.213) 3.050 7.258 ( 0.077 -0.048 -5.406) 5.407 7.470 ( -2.125 2.964 7.997) 8.789 7.588 ( -2.139 2.979 -0.018) 3.668 7.608 ( -1.330 0.831 5.420) 5.642 7.740 ( 0.422 -1.793 -4.708) 5.055 8.075 ( -3.473 -2.940 8.501) 9.642 8.180 ( -1.261 0.728 9.762) 9.870 8.261 ( -7.226 -2.724 -7.254) 10.595 8.346 ( -3.552 -0.685 -2.151) 4.208 8.548 ( 4.483 -0.286 0.476) 4.517 8.624 ( 6.274 -0.781 -6.961) 9.404 8.690 ( -2.315 -6.131 4.297) 7.837 8.816 ( -2.331 -6.999 -5.911) 9.453 8.988 ( 0.417 2.369 5.960) 6.427 9.112 ( 1.216 2.541 -7.353) 7.874 9.631 ( 7.792 -2.948 6.932) 10.838 9.742 ( 4.917 -2.878 -5.015) 7.590 10.531 ( -6.587 0.974 6.712) 9.455 10.538 ( 4.204 -4.986 7.566) 9.989 10.670 ( -2.453 1.982 -5.499) 6.339 10.738 ( -1.555 -2.699 -10.231) 10.694 11.053 ( 0.315 1.135 6.439) 6.546 11.170 ( 0.264 2.844 -5.758) 6.428 12.660 ( -4.683 0.080 23.002) 23.474 13.082 ( -1.258 0.458 -21.490) 21.531 13.751 ( 3.688 0.150 10.036) 10.693 13.967 ( 3.263 -0.982 -12.100) 12.570 14.577 ( 4.783 -7.089 5.613) 10.229 14.667 ( 4.389 -4.471 -4.263) 7.578 15.040 ( -4.936 6.693 5.013) 9.710 15.122 ( -3.695 8.217 -3.727) 9.749 16.017 ( 0.105 -1.138 1.671) 2.024 16.046 ( 0.211 -1.135 -1.388) 1.806 ======================= Grid point 227 (74/93) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 1.209 5.888 3.659) 7.037 2.005 ( 4.377 5.193 -2.947) 7.403 2.237 ( 0.361 3.505 6.329) 7.244 2.357 ( -2.031 2.642 -5.683) 6.588 2.432 ( -2.245 9.057 3.932) 10.126 2.534 ( 0.783 5.284 -6.628) 8.513 2.903 ( -0.522 3.330 6.921) 7.698 3.005 ( 3.732 1.345 1.462) 4.228 3.080 ( -1.060 2.588 -0.933) 2.948 3.142 ( 2.601 0.069 -2.698) 3.749 3.608 ( -1.657 -3.144 3.788) 5.194 3.626 ( -1.908 0.109 3.103) 3.645 3.670 ( -3.667 -10.988 -1.069) 11.634 3.701 ( -2.979 -11.132 -1.442) 11.614 3.913 ( -3.011 -0.809 0.922) 3.252 3.961 ( 0.183 1.053 -3.070) 3.251 4.343 ( -7.661 1.751 2.562) 8.266 4.423 ( -4.604 4.100 -5.720) 8.410 4.758 ( 6.607 6.698 8.308) 12.551 4.827 ( 8.822 0.058 6.539) 10.981 5.047 ( -0.167 -3.814 0.404) 3.839 5.129 ( -1.150 -6.345 -5.418) 8.423 5.201 ( -3.002 -5.395 5.758) 8.443 5.298 ( -0.869 -6.861 -4.285) 8.136 5.425 ( -2.133 -2.328 -0.271) 3.169 5.514 ( -2.149 0.575 -8.460) 8.748 5.569 ( -1.310 -6.541 7.127) 9.762 5.723 ( 1.556 -6.271 -7.973) 10.262 5.835 ( 2.923 5.363 2.853) 6.742 5.877 ( 4.587 9.798 -0.791) 10.847 5.968 ( 2.960 3.835 2.445) 5.426 6.025 ( 1.195 2.339 -4.154) 4.915 6.216 ( 3.726 6.628 -1.556) 7.761 6.291 ( 1.113 6.541 -8.702) 10.943 6.389 ( -5.091 1.631 7.451) 9.170 6.556 ( -4.179 1.640 -9.798) 10.778 6.752 ( 6.104 -5.376 3.454) 8.837 6.785 ( 5.256 -3.979 0.454) 6.608 7.149 ( -2.566 0.599 3.019) 4.007 7.234 ( -3.389 1.009 -5.293) 6.365 7.425 ( -1.660 0.627 5.823) 6.087 7.523 ( -2.516 -1.345 -3.234) 4.313 7.631 ( 0.873 -1.602 9.864) 10.031 7.773 ( -0.131 -1.658 -5.314) 5.569 8.103 ( -3.564 -3.176 7.538) 8.923 8.170 ( 0.660 0.105 10.039) 10.061 8.238 ( -7.602 -2.656 -6.114) 10.110 8.338 ( -0.537 -1.120 -2.769) 3.034 8.565 ( 3.438 2.447 1.238) 4.398 8.673 ( 6.174 2.022 -6.746) 9.366 8.747 ( -2.514 -2.322 5.325) 6.330 8.896 ( -2.998 -4.313 -5.110) 7.328 8.917 ( -1.487 4.512 5.284) 7.105 9.060 ( -0.469 3.384 -9.791) 10.370 9.737 ( 10.662 1.180 7.348) 13.002 9.832 ( 8.503 0.180 -2.605) 8.895 10.425 ( -8.226 2.439 4.384) 9.636 10.537 ( -9.413 3.610 -7.033) 12.293 10.641 ( 2.767 -2.990 9.251) 10.108 10.827 ( 3.081 -2.943 -10.735) 11.549 11.062 ( 1.880 -1.258 6.022) 6.433 11.164 ( 1.832 -1.236 -4.612) 5.114 12.602 ( -7.177 0.225 22.688) 23.797 13.032 ( -4.781 1.861 -23.161) 23.722 13.795 ( 5.990 -0.002 11.171) 12.676 14.014 ( 4.594 -0.155 -11.431) 12.321 14.606 ( -1.924 8.314 6.732) 10.870 14.693 ( 2.167 4.704 -3.346) 6.167 14.999 ( -1.311 -4.800 2.942) 5.780 15.059 ( -0.363 -6.306 -3.573) 7.257 16.029 ( 0.123 -0.008 1.603) 1.608 16.057 ( 0.101 0.121 -1.358) 1.367 ======================= Grid point 228 (75/93) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -2.336 12.635 7.105) 14.683 1.897 ( 1.959 9.395 -7.699) 12.303 2.021 ( -9.301 15.920 5.226) 19.164 2.130 ( -9.144 12.304 -5.403) 16.254 2.430 ( 2.599 -4.766 6.510) 8.477 2.541 ( 3.435 -2.480 -3.534) 5.518 2.827 ( -4.661 3.027 7.660) 9.464 2.966 ( -1.268 2.728 -6.612) 7.264 3.040 ( 1.247 2.348 9.025) 9.409 3.185 ( 4.476 -0.105 -5.731) 7.272 3.593 ( -3.058 1.325 2.507) 4.171 3.617 ( 0.528 -0.184 1.872) 1.954 3.694 ( -4.795 0.652 7.784) 9.165 3.877 ( -3.988 -2.652 -9.202) 10.374 3.999 ( 4.234 -6.301 -0.505) 7.608 4.027 ( 7.598 -6.651 -3.141) 10.575 4.269 ( -6.861 -1.441 1.534) 7.177 4.326 ( -9.453 -2.854 -5.007) 11.072 4.659 ( 4.103 7.699 12.332) 15.106 4.888 ( 7.647 2.811 -6.337) 10.321 5.067 ( 0.951 -0.035 3.803) 3.921 5.134 ( 0.577 -0.308 2.238) 2.331 5.272 ( -0.005 -3.412 -1.448) 3.706 5.303 ( -2.227 3.174 -6.082) 7.213 5.552 ( 4.263 -9.765 4.072) 11.407 5.621 ( 5.058 9.496 2.479) 11.040 5.658 ( 4.420 0.473 0.848) 4.525 5.717 ( 0.782 -5.625 -2.263) 6.114 5.847 ( 0.256 -3.112 -0.405) 3.149 5.911 ( -2.511 -2.504 -6.421) 7.336 5.955 ( -3.485 -11.260 5.442) 12.983 6.055 ( 5.649 -2.274 -1.990) 6.407 6.121 ( 1.748 5.432 -2.916) 6.408 6.221 ( -5.847 -2.157 -6.487) 8.996 6.309 ( -4.704 -0.132 1.206) 4.858 6.454 ( -5.658 3.588 -9.274) 11.441 6.908 ( 5.986 -5.152 4.784) 9.234 6.957 ( 6.550 -6.837 0.742) 9.497 7.116 ( -3.261 -0.345 2.798) 4.311 7.191 ( -3.090 -0.550 -4.287) 5.313 7.413 ( -1.525 -0.454 9.719) 9.849 7.560 ( -1.250 -3.698 -4.854) 6.229 7.688 ( 1.128 -4.097 7.539) 8.654 7.799 ( -1.717 -2.502 -4.357) 5.310 8.104 ( -3.621 -1.186 5.629) 6.798 8.175 ( -1.757 -0.395 5.608) 5.890 8.213 ( -5.003 -1.988 0.749) 5.436 8.388 ( 4.112 -1.966 -1.361) 4.756 8.532 ( 3.494 4.910 -0.044) 6.026 8.653 ( 2.306 5.408 3.197) 6.692 8.729 ( 0.925 2.805 -4.619) 5.482 8.816 ( -0.473 4.819 0.238) 4.848 8.915 ( -2.856 -0.820 -3.206) 4.372 8.991 ( -2.902 2.815 -11.312) 12.013 9.778 ( 10.187 5.348 9.439) 14.882 9.886 ( 10.011 3.702 -1.001) 10.720 10.284 ( -8.942 5.088 1.795) 10.444 10.384 ( -9.452 3.438 -7.620) 12.618 10.715 ( 1.688 -3.350 9.641) 10.345 10.879 ( 1.020 -1.286 -6.810) 7.005 11.140 ( 3.617 -4.369 3.603) 6.719 11.235 ( 3.052 -3.692 -5.230) 7.092 12.522 ( -7.797 0.612 20.791) 22.213 12.930 ( -6.358 3.794 -22.822) 23.993 13.864 ( 7.414 -0.637 11.519) 13.713 14.060 ( 5.235 0.098 -8.886) 10.313 14.399 ( -5.096 9.535 9.377) 14.311 14.539 ( -2.184 10.166 -6.186) 12.099 15.161 ( 1.498 -11.185 2.451) 11.548 15.219 ( 1.466 -9.394 -3.752) 10.221 16.020 ( 0.157 1.177 1.309) 1.768 16.043 ( 0.056 1.436 -1.209) 1.878 ======================= Grid point 229 (76/93) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -2.580 14.620 12.671) 19.518 1.628 ( -7.242 18.022 9.093) 21.446 1.742 ( 1.216 10.004 -14.307) 17.500 1.838 ( -7.326 10.837 -12.777) 18.285 2.539 ( 0.503 -3.730 6.432) 7.452 2.560 ( -0.753 4.975 6.622) 8.317 2.713 ( -2.914 3.417 12.941) 13.698 2.916 ( -2.303 0.943 -9.058) 9.394 3.006 ( 0.904 1.812 10.334) 10.531 3.216 ( 2.180 0.182 -10.124) 10.357 3.540 ( -1.164 1.715 3.056) 3.693 3.621 ( 1.362 1.895 -2.636) 3.520 3.657 ( -3.766 -1.309 10.339) 11.081 3.859 ( -2.407 -1.125 -9.986) 10.333 4.073 ( 4.902 2.253 -0.918) 5.473 4.085 ( 5.329 4.100 -1.704) 6.937 4.330 ( -5.957 -10.570 0.818) 12.160 4.408 ( -4.263 -10.871 -8.339) 14.349 4.612 ( 2.819 1.848 10.974) 11.480 4.841 ( 2.450 7.266 -13.528) 15.550 5.081 ( 2.876 4.759 9.025) 10.601 5.204 ( 3.629 -4.221 2.181) 5.978 5.247 ( -0.634 -1.528 5.483) 5.727 5.367 ( 4.317 -2.612 -2.122) 5.474 5.473 ( -4.920 1.087 -1.806) 5.353 5.528 ( 7.086 12.547 -6.542) 15.825 5.758 ( -2.150 -0.167 7.869) 8.159 5.771 ( -0.400 -1.721 3.292) 3.736 5.878 ( -0.208 -2.976 -7.494) 8.066 5.903 ( -0.065 -2.840 -6.847) 7.413 6.025 ( 2.608 4.586 -0.359) 5.288 6.062 ( 2.511 5.034 -3.715) 6.741 6.188 ( -6.011 -1.346 7.378) 9.612 6.320 ( -5.105 -11.115 -4.041) 12.882 6.348 ( -0.697 -13.098 3.045) 13.466 6.532 ( 1.719 -18.088 -13.783) 22.806 7.024 ( 2.785 -2.808 2.125) 4.489 7.069 ( 1.647 0.024 -2.398) 2.909 7.128 ( -2.779 -5.430 5.998) 8.555 7.208 ( -2.204 -4.186 -2.227) 5.229 7.409 ( -1.594 -1.454 14.958) 15.113 7.617 ( -0.684 -4.201 -5.536) 6.983 7.773 ( -1.786 -4.254 5.020) 6.818 7.843 ( -0.377 -4.174 -2.999) 5.153 8.106 ( 0.449 -1.724 3.349) 3.793 8.158 ( -1.542 -0.803 -1.269) 2.152 8.216 ( -1.650 -0.847 9.731) 9.906 8.432 ( 2.937 1.942 3.018) 4.638 8.458 ( 3.333 7.259 -2.728) 8.441 8.543 ( -2.359 6.021 10.650) 12.459 8.692 ( 2.748 1.970 -10.740) 11.260 8.759 ( 2.770 3.557 -9.458) 10.477 8.870 ( -1.450 4.096 -3.119) 5.349 8.911 ( -5.057 0.907 -8.482) 9.917 9.741 ( 6.371 7.787 10.677) 14.671 9.884 ( 10.033 7.484 -2.184) 12.706 10.079 ( -9.893 7.721 3.665) 13.074 10.228 ( -5.534 6.864 -9.738) 13.137 10.795 ( 0.810 -4.360 9.074) 10.100 10.912 ( 0.018 -2.228 -1.722) 2.816 11.262 ( 3.314 -5.274 0.157) 6.231 11.331 ( 2.583 -3.853 -5.495) 7.191 12.444 ( -5.750 0.746 17.200) 18.151 12.788 ( -5.274 5.774 -19.695) 21.191 13.956 ( 7.897 -1.710 10.819) 13.503 14.107 ( 5.216 0.397 -4.544) 6.929 14.205 ( -6.203 5.989 8.195) 11.896 14.342 ( -3.267 8.921 -6.160) 11.323 15.379 ( 1.270 -11.802 -0.299) 11.874 15.393 ( 0.931 -9.033 -1.821) 9.261 15.993 ( 0.072 1.940 0.912) 2.145 16.012 ( 0.098 2.016 -1.074) 2.287 ======================= Grid point 230 (77/93) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 0.000 13.477 18.405) 22.812 1.293 ( 0.000 14.846 16.996) 22.567 1.573 ( 0.000 9.516 -19.129) 21.365 1.644 ( 0.000 7.297 -20.414) 21.679 2.338 ( 0.000 15.330 25.627) 29.862 2.594 ( -0.000 -2.825 -2.187) 3.573 2.669 ( 0.000 1.406 14.813) 14.879 2.902 ( -0.000 -0.197 -10.257) 10.259 3.023 ( -0.000 -3.016 5.041) 5.875 3.203 ( 0.000 2.352 -12.703) 12.919 3.501 ( 0.000 2.930 0.946) 3.079 3.534 ( 0.000 7.783 -3.091) 8.375 3.689 ( -0.000 -4.244 12.423) 13.128 3.888 ( -0.000 -3.106 -9.726) 10.210 4.057 ( -0.000 -0.460 2.715) 2.754 4.143 ( -0.000 -5.276 -6.472) 8.350 4.449 ( -0.000 -5.653 1.184) 5.776 4.525 ( -0.000 -4.148 -8.268) 9.250 4.606 ( 0.000 1.444 6.877) 7.027 4.701 ( 0.000 10.011 -3.106) 10.482 4.912 ( 0.000 11.986 10.938) 16.227 5.164 ( 0.000 11.839 -14.080) 18.396 5.330 ( 0.000 0.086 0.940) 0.944 5.402 ( 0.000 3.335 -7.540) 8.244 5.441 ( -0.000 -11.467 9.257) 14.737 5.578 ( -0.000 -8.320 -3.905) 9.191 5.687 ( 0.000 1.694 11.913) 12.032 5.840 ( -0.000 -3.113 1.677) 3.536 5.880 ( -0.000 -1.822 -7.089) 7.319 5.938 ( 0.000 1.157 -8.357) 8.437 5.975 ( 0.000 2.637 -0.319) 2.656 5.995 ( 0.000 3.515 -2.404) 4.258 6.197 ( -0.000 -1.742 6.998) 7.211 6.340 ( -0.000 -3.227 -6.708) 7.444 6.706 ( -0.000 -16.028 3.108) 16.326 6.809 ( -0.000 -9.682 -7.820) 12.446 7.026 ( 0.000 3.522 0.662) 3.584 7.061 ( 0.000 0.251 -3.234) 3.244 7.247 ( -0.000 -9.857 5.310) 11.196 7.317 ( -0.000 -10.616 -2.049) 10.812 7.451 ( -0.000 -3.959 18.836) 19.247 7.701 ( -0.000 -5.545 -5.751) 7.988 7.801 ( -0.000 -1.026 5.287) 5.386 7.901 ( -0.000 -1.618 -5.454) 5.689 8.183 ( 0.000 4.160 6.539) 7.750 8.185 ( -0.000 -5.489 1.968) 5.831 8.198 ( -0.000 -4.425 0.748) 4.488 8.334 ( 0.000 8.028 -9.467) 12.413 8.417 ( -0.000 -0.777 13.021) 13.045 8.427 ( 0.000 5.064 12.829) 13.792 8.688 ( 0.000 3.648 -13.000) 13.502 8.697 ( 0.000 4.581 -15.211) 15.885 8.811 ( -0.000 -1.397 0.973) 1.703 8.883 ( -0.000 -0.222 -7.230) 7.233 9.621 ( 0.000 9.226 8.986) 12.879 9.770 ( 0.000 12.286 -7.156) 14.218 9.878 ( 0.000 8.055 8.095) 11.420 10.031 ( 0.000 12.659 -8.669) 15.342 10.875 ( -0.000 -4.051 7.625) 8.634 10.962 ( -0.000 -3.479 -0.060) 3.480 11.365 ( -0.000 -3.902 -1.202) 4.083 11.410 ( -0.000 -3.702 -4.542) 5.860 12.405 ( 0.000 0.017 12.179) 12.179 12.649 ( 0.000 6.433 -13.864) 15.284 14.059 ( 0.000 4.195 7.323) 8.440 14.062 ( -0.000 -3.655 8.063) 8.852 14.154 ( -0.000 -0.646 -2.520) 2.602 14.177 ( 0.000 7.056 -5.371) 8.867 15.555 ( -0.000 -9.228 1.359) 9.327 15.589 ( -0.000 -11.071 -2.212) 11.290 15.956 ( 0.000 2.182 1.123) 2.454 15.981 ( 0.000 1.621 -1.529) 2.228 ======================= Grid point 233 (78/93) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 14.170 0.000 18.437) 23.253 1.596 ( 14.277 0.000 3.177) 14.626 1.759 ( 15.209 0.000 -4.069) 15.744 1.981 ( 21.016 0.000 -15.290) 25.989 2.284 ( 21.248 0.000 25.669) 33.322 2.700 ( 4.759 0.000 -16.416) 17.092 2.862 ( 2.331 0.000 11.801) 12.029 3.038 ( 2.091 0.000 -7.724) 8.002 3.086 ( 1.174 0.000 3.816) 3.993 3.159 ( -1.033 -0.000 -4.207) 4.332 3.283 ( -4.444 -0.000 -0.327) 4.456 3.299 ( -4.888 -0.000 -2.612) 5.542 3.891 ( -8.068 -0.000 5.359) 9.686 3.973 ( -3.568 -0.000 -2.039) 4.110 4.066 ( 0.608 0.000 1.775) 1.876 4.072 ( 2.527 0.000 4.779) 5.406 4.310 ( -2.681 -0.000 8.746) 9.147 4.476 ( -2.360 -0.000 3.853) 4.518 4.547 ( -1.575 -0.000 -7.480) 7.644 4.553 ( 1.264 0.000 -11.238) 11.309 4.777 ( 7.833 0.000 2.594) 8.251 4.853 ( 9.568 0.000 -6.055) 11.323 5.205 ( -5.274 -0.000 2.935) 6.036 5.320 ( -1.858 -0.000 -8.718) 8.913 5.567 ( -8.060 -0.000 4.662) 9.311 5.630 ( -8.552 -0.000 -0.044) 8.552 5.758 ( 1.332 0.000 3.370) 3.624 5.785 ( -0.205 -0.000 0.279) 0.346 5.914 ( 1.130 0.000 -0.720) 1.340 5.932 ( 5.849 0.000 -2.868) 6.514 6.008 ( -9.315 -0.000 -3.916) 10.104 6.074 ( 1.269 0.000 -8.875) 8.965 6.345 ( 8.727 0.000 4.072) 9.630 6.387 ( 7.339 0.000 -0.235) 7.343 6.952 ( 2.324 0.000 1.488) 2.759 6.972 ( 1.921 0.000 0.256) 1.938 7.056 ( 0.777 0.000 7.940) 7.978 7.192 ( -2.208 -0.000 -5.907) 6.307 7.550 ( 4.075 0.000 11.128) 11.851 7.662 ( -1.158 0.000 2.346) 2.616 7.662 ( -4.372 -0.000 13.074) 13.785 7.796 ( -7.082 -0.000 0.917) 7.141 7.799 ( -13.008 -0.000 -4.809) 13.869 7.924 ( 0.180 0.000 -7.758) 7.760 8.001 ( -0.952 -0.000 5.842) 5.919 8.057 ( -5.598 -0.000 -1.137) 5.712 8.069 ( -4.102 -0.000 -4.034) 5.753 8.155 ( -3.621 -0.000 -11.418) 11.978 8.334 ( 7.764 0.000 6.295) 9.995 8.520 ( 4.469 0.000 -13.721) 14.430 8.719 ( -1.928 -0.000 3.305) 3.827 8.780 ( 4.814 0.000 -1.190) 4.959 8.839 ( 2.139 0.000 9.678) 9.911 9.057 ( 5.278 0.000 -11.926) 13.042 9.428 ( 2.947 0.000 3.852) 4.850 9.488 ( 2.614 0.000 -2.566) 3.662 9.757 ( 5.552 0.000 4.352) 7.054 9.844 ( 9.552 0.000 -5.376) 10.961 10.874 ( -5.553 -0.000 4.584) 7.201 10.946 ( -6.282 -0.000 -3.422) 7.153 11.224 ( -1.888 -0.000 10.790) 10.954 11.404 ( -0.867 -0.000 -8.506) 8.550 12.749 ( 1.816 0.000 13.710) 13.830 12.926 ( 14.334 0.000 -6.127) 15.589 13.778 ( -2.000 -0.000 0.746) 2.135 13.812 ( -6.364 -0.000 -2.689) 6.909 14.167 ( 0.727 0.000 0.131) 0.738 14.171 ( 0.696 0.000 -0.242) 0.737 15.684 ( -6.388 -0.000 1.289) 6.517 15.721 ( -3.718 -0.000 -2.835) 4.676 15.927 ( 0.874 0.000 0.025) 0.875 15.930 ( 1.744 0.000 -0.495) 1.813 ======================= Grid point 234 (79/93) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 15.975 -1.103 14.033) 21.292 1.727 ( 12.209 -0.354 -10.601) 16.173 1.935 ( 17.132 -4.255 11.645) 21.148 2.184 ( 18.292 -2.119 -12.892) 22.479 2.591 ( 19.709 -9.763 14.577) 26.387 2.793 ( 0.760 -3.582 -4.383) 5.711 2.887 ( 0.485 -3.151 6.773) 7.486 3.000 ( 4.914 6.569 1.012) 8.266 3.067 ( -0.657 2.225 -4.258) 4.849 3.081 ( -2.587 4.743 -4.980) 7.347 3.288 ( -5.407 -6.258 1.748) 8.453 3.344 ( -3.996 -6.296 -3.634) 8.296 3.802 ( -5.789 1.772 3.491) 6.989 3.871 ( -7.363 3.555 -3.856) 9.040 4.049 ( 3.651 4.550 6.064) 8.415 4.127 ( 1.366 -0.570 -1.328) 1.989 4.207 ( -5.653 2.806 12.954) 14.410 4.402 ( -2.215 1.909 -4.537) 5.398 4.635 ( -2.057 -6.141 -3.384) 7.307 4.656 ( -2.560 -7.453 -5.931) 9.863 4.845 ( 9.813 1.015 4.713) 10.933 4.979 ( 12.175 -1.003 -6.583) 13.877 5.143 ( -3.434 2.636 1.999) 4.768 5.273 ( -1.444 2.876 -8.496) 9.085 5.475 ( -9.158 1.543 2.240) 9.553 5.534 ( -7.586 1.429 -2.505) 8.115 5.770 ( -1.592 -2.534 1.504) 3.350 5.795 ( -3.676 -2.619 -1.030) 4.629 5.891 ( 3.976 1.808 4.866) 6.539 5.972 ( 1.152 -1.088 2.249) 2.751 5.991 ( 4.296 0.733 -7.050) 8.288 6.102 ( 3.252 -0.335 -10.607) 11.099 6.394 ( 6.396 2.650 4.830) 8.442 6.442 ( 6.880 1.284 -0.187) 7.001 6.867 ( -4.199 8.760 5.060) 10.953 6.925 ( 0.643 6.677 0.040) 6.708 7.063 ( 1.276 0.102 5.674) 5.817 7.168 ( -2.331 0.175 -5.657) 6.121 7.515 ( -6.556 7.937 5.850) 11.841 7.580 ( -6.553 2.431 2.900) 7.567 7.599 ( 1.222 4.032 5.835) 7.197 7.645 ( -13.552 1.645 -1.715) 13.759 7.717 ( 0.155 2.491 4.919) 5.516 7.906 ( -0.111 2.135 -8.080) 8.358 7.996 ( -4.715 -3.875 6.955) 9.253 8.020 ( -3.801 -2.365 4.663) 6.464 8.115 ( -3.724 -5.111 -5.729) 8.533 8.183 ( -2.716 -7.030 -11.356) 13.630 8.397 ( 7.338 1.331 3.824) 8.381 8.521 ( 4.296 2.954 -9.125) 10.510 8.670 ( -2.185 4.410 6.693) 8.308 8.791 ( -0.358 2.393 -4.632) 5.226 8.908 ( 6.759 -2.506 7.208) 10.194 9.088 ( 5.987 0.675 -10.688) 12.269 9.410 ( 4.469 1.539 5.582) 7.314 9.517 ( 3.218 -0.750 -5.798) 6.673 9.959 ( 6.306 -12.806 6.565) 15.712 10.072 ( 7.531 -12.326 -5.741) 15.543 10.799 ( -5.995 1.904 4.733) 7.872 10.876 ( -7.738 0.571 -3.901) 8.684 11.197 ( -0.186 2.152 10.214) 10.440 11.378 ( 0.145 2.542 -8.944) 9.300 12.726 ( -2.886 1.152 20.356) 20.592 13.042 ( 8.047 -0.554 -13.399) 15.639 13.749 ( 0.257 1.037 2.445) 2.668 13.824 ( 0.940 -2.929 -4.644) 5.570 14.196 ( 1.232 -3.221 2.130) 4.053 14.236 ( 1.224 -5.591 -2.122) 6.104 15.570 ( -5.614 5.937 2.576) 8.567 15.629 ( -2.539 6.291 -3.722) 7.738 15.945 ( 0.643 -0.893 0.477) 1.200 15.957 ( 1.433 -1.111 -0.788) 1.977 ======================= Grid point 235 (80/93) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 15.675 -5.387 8.236) 18.508 1.858 ( 13.187 -1.306 -10.945) 17.187 2.213 ( 16.553 -8.169 11.913) 21.969 2.396 ( 15.961 -3.122 -7.550) 17.930 2.791 ( -5.459 -1.083 2.455) 6.082 2.835 ( 2.374 -1.345 -0.697) 2.816 2.901 ( 1.169 6.248 3.511) 7.261 2.973 ( 5.427 3.627 -1.342) 6.664 2.999 ( -3.074 -2.313 2.819) 4.770 3.047 ( 5.575 1.180 -0.477) 5.718 3.367 ( -4.961 -7.699 1.371) 9.261 3.422 ( -4.092 -7.260 -4.652) 9.544 3.725 ( -4.030 2.724 1.310) 5.038 3.759 ( -2.801 3.360 -1.764) 4.717 3.968 ( -1.203 5.032 7.389) 9.020 4.049 ( -3.524 2.540 0.167) 4.347 4.226 ( -2.594 -5.143 8.943) 10.637 4.383 ( -3.324 -2.619 -5.685) 7.087 4.694 ( -3.964 0.093 -1.502) 4.240 4.706 ( -0.955 -4.080 -1.408) 4.420 4.879 ( 2.040 2.132 4.287) 5.205 5.027 ( -0.210 7.387 -4.326) 8.563 5.087 ( 3.746 -2.685 1.850) 4.967 5.246 ( 0.944 -0.197 -8.302) 8.358 5.361 ( -5.692 2.424 0.173) 6.189 5.436 ( -4.888 2.631 -6.907) 8.861 5.828 ( 0.952 -2.312 2.548) 3.570 5.858 ( 1.385 -6.746 0.189) 6.890 5.934 ( 8.251 2.332 4.419) 9.646 5.965 ( 2.606 2.714 6.845) 7.811 6.071 ( 6.760 -3.963 -8.202) 11.344 6.128 ( 2.634 0.985 -10.258) 10.636 6.369 ( 0.373 3.621 4.805) 6.029 6.456 ( 3.121 3.258 -4.255) 6.202 6.680 ( -2.301 6.618 5.556) 8.942 6.778 ( 0.153 8.342 -4.237) 9.358 7.015 ( -0.927 7.753 3.432) 8.529 7.066 ( -6.466 9.834 -1.504) 11.865 7.290 ( -7.437 2.892 5.021) 9.428 7.381 ( -7.623 6.644 -4.424) 11.038 7.585 ( 2.211 1.399 3.104) 4.060 7.616 ( -0.888 -0.959 3.532) 3.766 7.666 ( 0.873 4.221 5.875) 7.287 7.844 ( 0.095 5.389 -6.841) 8.709 7.997 ( -5.289 -1.201 6.548) 8.503 8.068 ( -3.789 -7.086 12.997) 15.280 8.143 ( -6.688 -3.843 -7.246) 10.583 8.334 ( -1.340 -10.762 -6.581) 12.686 8.395 ( 1.111 3.750 1.003) 4.037 8.535 ( 4.173 -0.591 -7.724) 8.799 8.592 ( -1.186 0.988 4.713) 4.959 8.723 ( -1.323 2.790 -8.229) 8.789 8.995 ( 4.141 -1.276 7.349) 8.531 9.140 ( 3.373 -0.348 -7.534) 8.262 9.497 ( 10.058 -3.228 5.327) 11.831 9.602 ( 5.755 -3.857 -5.822) 9.049 10.234 ( 4.449 -11.882 7.163) 14.571 10.336 ( 3.557 -10.827 -3.228) 11.845 10.708 ( -4.962 2.174 2.946) 6.166 10.780 ( -8.924 1.491 -4.899) 10.289 11.147 ( 0.462 3.458 9.216) 9.854 11.320 ( 0.505 4.362 -8.787) 9.823 12.671 ( -5.175 0.593 23.879) 24.440 13.088 ( 1.239 0.065 -20.441) 20.478 13.759 ( 4.030 0.384 6.601) 7.743 13.901 ( 4.124 -2.628 -7.813) 9.218 14.303 ( 2.507 -6.870 4.504) 8.589 14.382 ( 2.304 -8.822 -3.963) 9.942 15.384 ( -4.899 9.447 4.480) 11.546 15.469 ( -1.976 9.421 -4.489) 10.622 15.968 ( 0.464 -1.186 1.245) 1.781 15.991 ( 0.921 -1.510 -1.240) 2.160 ======================= Grid point 236 (81/93) ======================= q-point: ( 0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 13.053 -5.944 2.357) 14.535 1.995 ( 11.599 -0.153 -5.545) 12.858 2.480 ( 12.505 -4.221 4.652) 13.994 2.522 ( 7.267 4.696 -0.209) 8.655 2.693 ( 4.160 10.380 4.365) 12.005 2.797 ( 3.602 7.839 -4.077) 9.542 2.870 ( -3.562 -5.737 1.002) 6.826 2.928 ( -4.277 -7.495 -3.305) 9.241 3.046 ( 0.104 0.554 3.747) 3.789 3.084 ( 3.730 -0.761 -0.298) 3.819 3.401 ( -6.819 -0.880 3.587) 7.755 3.466 ( -8.922 -1.119 -3.416) 9.619 3.642 ( -3.296 1.570 2.141) 4.233 3.685 ( -1.724 1.229 -1.983) 2.901 3.913 ( 0.687 1.146 5.784) 5.936 4.005 ( -1.235 1.146 -2.750) 3.225 4.323 ( -4.844 -10.122 8.442) 14.043 4.449 ( -2.311 -8.089 -4.249) 9.425 4.588 ( -8.530 2.721 4.245) 9.909 4.718 ( -6.639 -0.446 -7.697) 10.175 4.885 ( 4.210 -1.282 7.918) 9.059 4.937 ( 3.411 3.180 5.460) 7.180 5.161 ( 1.195 -2.410 -2.728) 3.831 5.268 ( -0.473 -1.747 -9.554) 9.724 5.310 ( -2.412 -1.644 -0.287) 2.933 5.389 ( 2.387 1.054 -7.417) 7.863 5.789 ( -0.899 11.482 7.721) 13.866 5.860 ( 2.748 2.110 0.130) 3.467 5.984 ( 1.198 -1.794 -0.858) 2.321 6.024 ( 6.656 2.012 0.583) 6.978 6.075 ( 2.633 7.067 -2.645) 7.992 6.207 ( 8.818 -1.158 -9.156) 12.765 6.340 ( -1.505 -2.984 4.814) 5.860 6.428 ( 0.562 -1.529 -5.261) 5.507 6.617 ( 3.233 3.916 1.376) 5.261 6.633 ( 1.398 10.527 -1.011) 10.668 6.777 ( -7.673 11.497 1.910) 13.954 6.832 ( -2.402 6.519 -3.048) 7.586 7.230 ( -1.908 3.451 1.162) 4.111 7.271 ( -0.905 1.310 -3.917) 4.228 7.527 ( -1.405 6.186 5.142) 8.166 7.604 ( -2.085 1.219 2.294) 3.331 7.610 ( -1.643 1.464 5.087) 5.543 7.749 ( 0.040 3.325 -1.694) 3.732 7.992 ( -3.105 -2.764 4.516) 6.138 8.135 ( -6.326 -2.832 -4.483) 8.254 8.141 ( -3.024 -4.271 11.012) 12.192 8.329 ( -1.513 2.162 4.322) 5.064 8.505 ( -0.616 -8.949 -7.243) 11.529 8.597 ( -0.925 -2.017 3.586) 4.217 8.610 ( 2.436 -3.849 -8.322) 9.487 8.709 ( -1.337 -2.658 -7.867) 8.411 9.026 ( 1.757 1.034 7.019) 7.309 9.150 ( 0.585 1.217 -5.702) 5.860 9.679 ( 14.264 -3.590 3.674) 15.161 9.743 ( 8.599 -4.256 -3.290) 10.143 10.432 ( -2.157 -6.474 6.925) 9.722 10.477 ( -0.979 -4.712 4.412) 6.529 10.658 ( -9.632 2.234 -5.345) 11.240 10.678 ( 1.134 -2.654 -5.175) 5.925 11.094 ( 0.811 2.934 7.703) 8.283 11.243 ( 0.652 4.654 -7.705) 9.025 12.611 ( -6.066 0.313 25.057) 25.782 13.073 ( -2.583 0.667 -24.257) 24.403 13.800 ( 5.581 0.298 9.032) 10.621 13.981 ( 4.412 -1.700 -9.885) 10.958 14.477 ( 4.146 -9.036 5.754) 11.487 14.576 ( 3.680 -9.758 -5.046) 11.586 15.155 ( -5.168 11.068 6.746) 13.954 15.267 ( -2.518 11.075 -5.233) 12.505 15.995 ( 0.280 -1.433 1.664) 2.214 16.025 ( 0.487 -1.500 -1.499) 2.176 ======================= Grid point 237 (82/93) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 8.636 2.691 1.384) 9.151 2.107 ( 8.707 -1.977 -3.838) 9.719 2.366 ( -1.738 11.794 3.407) 12.399 2.430 ( -1.273 10.518 -3.047) 11.025 2.632 ( 4.963 9.398 2.726) 10.972 2.697 ( 6.055 8.987 -2.353) 11.089 2.968 ( -0.259 -0.871 8.491) 8.539 3.018 ( 2.966 -2.510 6.484) 7.559 3.102 ( 2.837 -3.699 -1.466) 4.886 3.146 ( 0.386 -3.437 -9.101) 9.736 3.340 ( -9.671 -8.064 2.587) 12.855 3.392 ( -10.627 -8.257 -2.477) 13.683 3.614 ( -1.098 0.262 2.892) 3.105 3.668 ( 0.381 1.136 -2.582) 2.847 3.884 ( -3.104 2.045 3.314) 4.980 3.963 ( -2.455 1.186 -3.864) 4.729 4.343 ( -3.933 3.514 7.526) 9.190 4.500 ( 0.210 4.863 -8.825) 10.078 4.650 ( -6.262 -18.961 10.086) 22.371 4.803 ( -4.747 -18.639 -5.533) 20.014 4.916 ( 3.466 2.420 9.049) 9.988 4.987 ( 6.564 -1.738 8.642) 10.990 5.177 ( -0.096 0.550 -3.114) 3.164 5.310 ( 3.123 -0.100 -11.059) 11.492 5.360 ( 0.364 -3.649 3.841) 5.310 5.421 ( -0.750 -1.840 -0.344) 2.017 5.594 ( -4.105 2.118 -2.206) 5.119 5.706 ( -2.215 14.417 -9.603) 17.464 5.948 ( 2.706 3.846 1.293) 4.877 6.001 ( 0.858 0.524 -4.553) 4.663 6.078 ( 5.484 3.132 6.039) 8.739 6.226 ( 6.559 9.254 -6.941) 13.298 6.349 ( -3.587 0.914 7.873) 8.700 6.409 ( 2.893 10.132 2.195) 10.763 6.481 ( -1.210 12.081 -3.956) 12.769 6.514 ( -2.759 -2.855 -8.874) 9.722 6.712 ( 4.950 -4.520 6.048) 9.028 6.817 ( 8.188 -0.780 -5.715) 10.015 7.140 ( -3.917 2.958 2.297) 5.419 7.220 ( -4.881 2.745 -6.455) 8.546 7.436 ( -0.787 1.629 5.022) 5.338 7.511 ( -3.111 2.346 -2.270) 4.510 7.607 ( -0.714 -0.559 10.124) 10.165 7.730 ( -2.219 -0.882 -1.798) 2.989 8.023 ( -1.655 -2.903 3.260) 4.669 8.127 ( -5.375 -2.628 -6.187) 8.607 8.169 ( -0.485 -1.014 12.419) 12.469 8.311 ( -0.219 -1.258 2.825) 3.100 8.603 ( 1.205 -1.378 -0.240) 1.846 8.646 ( -2.006 -5.186 2.726) 6.193 8.703 ( 2.061 -3.965 -9.319) 10.335 8.772 ( -1.859 -5.484 -6.911) 9.016 8.990 ( 0.050 3.998 6.013) 7.221 9.114 ( -0.322 2.929 -6.479) 7.118 9.858 ( 14.235 -0.893 4.274) 14.889 9.902 ( 11.191 -2.830 -0.158) 11.544 10.370 ( -10.238 1.296 4.938) 11.441 10.500 ( -10.604 2.712 -8.373) 13.781 10.602 ( 1.803 -3.986 9.623) 10.571 10.782 ( 2.405 -5.017 -9.317) 10.851 11.070 ( 1.119 0.659 6.224) 6.358 11.184 ( 0.961 2.302 -5.566) 6.099 12.547 ( -5.780 0.636 24.918) 25.588 13.023 ( -3.753 1.642 -25.991) 26.312 13.850 ( 5.344 -0.063 10.082) 11.411 14.041 ( 3.540 -1.031 -10.104) 10.756 14.674 ( 5.515 -6.300 5.663) 10.108 14.756 ( 4.872 -2.766 -2.407) 6.098 14.936 ( -5.974 3.695 5.227) 8.756 15.044 ( -4.360 9.642 -5.468) 11.911 16.020 ( 0.139 -1.058 1.711) 2.017 16.050 ( 0.202 -0.941 -1.505) 1.786 ======================= Grid point 238 (83/93) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 3.063 13.415 6.367) 15.162 2.104 ( 5.692 10.483 -5.790) 13.260 2.176 ( -4.808 6.979 3.039) 9.004 2.267 ( -6.267 7.394 -5.772) 11.281 2.452 ( 2.521 7.158 7.636) 10.766 2.586 ( 3.393 5.443 -5.600) 8.515 2.873 ( -2.295 6.205 9.031) 11.195 3.032 ( -1.499 6.082 -7.503) 9.774 3.091 ( 2.683 0.492 8.997) 9.401 3.219 ( 4.082 -1.330 -4.161) 5.979 3.566 ( -2.472 -13.419 4.806) 14.467 3.589 ( -0.742 -0.913 2.650) 2.900 3.621 ( -1.296 -16.372 -2.876) 16.673 3.657 ( -1.324 -2.751 -3.754) 4.839 3.817 ( -5.140 -2.897 2.588) 6.443 3.934 ( -2.066 -1.301 -8.278) 8.631 4.266 ( -1.085 2.134 5.778) 6.255 4.381 ( -0.381 7.733 -6.317) 9.993 4.849 ( 2.870 7.734 11.541) 14.187 4.921 ( 0.423 -9.424 13.774) 16.695 5.081 ( 2.177 -5.096 -4.169) 6.934 5.101 ( 0.578 -6.928 -8.597) 11.056 5.186 ( 1.169 4.510 9.013) 10.146 5.271 ( -2.774 -12.764 4.273) 13.743 5.398 ( 0.596 2.686 -9.572) 9.960 5.455 ( -3.603 -2.013 -10.144) 10.952 5.554 ( -0.434 -11.348 6.934) 13.305 5.725 ( -0.463 -12.254 -10.424) 16.094 5.904 ( 2.798 4.152 0.613) 5.044 5.975 ( 5.067 11.031 -1.705) 12.258 6.025 ( 1.673 6.036 0.697) 6.302 6.039 ( 0.337 8.437 -1.392) 8.557 6.265 ( -0.049 8.278 0.929) 8.330 6.284 ( -3.734 4.113 6.208) 8.330 6.313 ( 1.514 6.300 -6.345) 9.069 6.466 ( -4.114 2.991 -10.219) 11.415 6.888 ( 6.701 -6.760 6.486) 11.518 6.929 ( 8.597 -0.904 0.937) 8.695 7.075 ( -4.523 -0.274 -0.190) 4.535 7.135 ( -6.661 -1.346 -5.926) 9.017 7.421 ( 0.869 0.906 5.400) 5.544 7.506 ( 0.593 -2.030 -3.023) 3.689 7.621 ( -1.435 -2.661 8.635) 9.149 7.724 ( -3.644 -2.075 -1.937) 4.620 8.053 ( -1.058 -1.932 2.168) 3.091 8.123 ( -3.365 -1.678 -4.609) 5.948 8.181 ( 0.308 -0.571 12.441) 12.458 8.364 ( 1.675 -3.512 -0.925) 3.999 8.617 ( 2.063 1.171 5.556) 6.041 8.682 ( -2.592 -0.595 3.402) 4.318 8.781 ( 3.742 -1.488 -11.026) 11.738 8.840 ( -2.359 -3.880 -7.457) 8.731 8.895 ( -0.968 5.680 5.564) 8.010 9.046 ( -0.618 4.203 -8.792) 9.764 9.960 ( 11.248 3.882 9.071) 14.963 10.021 ( 9.461 0.750 4.518) 10.511 10.262 ( -7.465 0.858 -2.795) 8.017 10.335 ( -11.139 3.376 -8.532) 14.432 10.675 ( 0.890 -2.809 9.727) 10.164 10.863 ( 0.893 -2.143 -10.489) 10.743 11.097 ( 1.268 -2.621 5.941) 6.616 11.197 ( 1.218 -2.466 -4.441) 5.224 12.484 ( -3.943 1.215 23.662) 24.019 12.948 ( -2.946 3.181 -26.257) 26.613 13.902 ( 3.845 -0.989 10.424) 11.154 14.085 ( 2.277 -0.951 -8.846) 9.183 14.569 ( -1.449 13.171 11.264) 17.391 14.735 ( 1.734 11.972 -7.018) 13.985 14.970 ( -1.266 -10.524 3.719) 11.233 15.053 ( -0.163 -10.358 -4.921) 11.469 16.031 ( 0.074 -0.028 1.531) 1.533 16.059 ( 0.066 0.190 -1.383) 1.398 ======================= Grid point 239 (84/93) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 0.000 14.894 10.136) 18.016 1.925 ( 0.000 17.868 3.967) 18.303 1.933 ( 0.000 10.756 -11.055) 15.425 2.019 ( 0.000 13.626 -5.245) 14.601 2.472 ( -0.000 -4.196 7.827) 8.881 2.602 ( -0.000 -1.400 -4.131) 4.362 2.758 ( 0.000 4.690 10.820) 11.792 2.938 ( 0.000 3.401 -8.391) 9.054 3.065 ( 0.000 3.306 11.468) 11.935 3.236 ( 0.000 0.926 -6.697) 6.761 3.561 ( 0.000 1.841 2.631) 3.211 3.633 ( 0.000 0.593 12.587) 12.601 3.636 ( -0.000 -0.379 -4.506) 4.522 3.826 ( -0.000 -2.005 -8.075) 8.320 4.025 ( -0.000 -18.380 0.250) 18.382 4.112 ( -0.000 -17.990 -9.856) 20.513 4.207 ( 0.000 5.526 0.656) 5.565 4.228 ( 0.000 8.413 -1.517) 8.549 4.702 ( 0.000 7.726 13.790) 15.807 4.990 ( 0.000 8.101 -16.486) 18.369 5.060 ( -0.000 -7.340 15.241) 16.917 5.122 ( 0.000 0.652 7.771) 7.798 5.262 ( -0.000 -7.588 -5.698) 9.489 5.283 ( 0.000 4.096 -8.571) 9.500 5.590 ( -0.000 -15.894 4.421) 16.497 5.692 ( -0.000 -14.805 -5.126) 15.667 5.694 ( 0.000 17.822 7.254) 19.242 5.798 ( -0.000 -2.301 9.567) 9.840 5.827 ( 0.000 14.304 -6.138) 15.565 5.846 ( -0.000 -12.078 -1.281) 12.145 5.918 ( -0.000 -6.835 -1.970) 7.113 6.117 ( -0.000 -9.215 -10.009) 13.605 6.141 ( 0.000 6.694 -0.303) 6.701 6.197 ( 0.000 7.345 -5.668) 9.278 6.225 ( -0.000 -3.445 2.769) 4.420 6.388 ( 0.000 2.249 -9.861) 10.114 6.989 ( -0.000 -2.542 4.763) 5.399 7.027 ( -0.000 -4.871 8.410) 9.719 7.073 ( -0.000 -1.577 -3.381) 3.730 7.149 ( -0.000 -2.465 -4.478) 5.112 7.406 ( 0.000 1.184 9.553) 9.626 7.553 ( -0.000 -2.813 -5.013) 5.748 7.683 ( -0.000 -4.819 6.711) 8.262 7.760 ( -0.000 -4.120 -1.913) 4.543 8.077 ( -0.000 -1.533 1.804) 2.367 8.131 ( -0.000 -1.146 -3.597) 3.775 8.194 ( -0.000 -0.799 13.115) 13.140 8.435 ( -0.000 -2.729 -5.660) 6.283 8.599 ( 0.000 3.170 11.719) 12.140 8.615 ( 0.000 5.618 2.741) 6.251 8.761 ( 0.000 5.561 -2.452) 6.077 8.836 ( 0.000 1.383 -13.730) 13.800 8.866 ( -0.000 -1.367 -2.273) 2.652 8.959 ( 0.000 5.114 -9.064) 10.407 9.906 ( 0.000 7.261 12.852) 14.761 10.058 ( 0.000 2.024 11.550) 11.726 10.129 ( 0.000 8.144 -11.268) 13.903 10.262 ( 0.000 0.673 -10.302) 10.324 10.730 ( -0.000 -3.302 9.695) 10.242 10.887 ( -0.000 -0.821 -6.058) 6.113 11.179 ( -0.000 -5.389 3.173) 6.253 11.270 ( -0.000 -4.390 -5.205) 6.809 12.439 ( 0.000 1.473 21.067) 21.118 12.861 ( 0.000 4.943 -24.394) 24.890 13.952 ( -0.000 -2.274 10.541) 10.784 14.117 ( -0.000 -1.217 -6.924) 7.030 14.336 ( 0.000 11.515 12.102) 16.704 14.517 ( 0.000 12.107 -7.714) 14.356 15.175 ( -0.000 -12.046 2.037) 12.217 15.234 ( -0.000 -9.785 -4.093) 10.607 16.021 ( 0.000 1.156 1.198) 1.665 16.044 ( 0.000 1.443 -1.204) 1.879 ======================= Grid point 244 (85/93) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 17.933 0.000 11.927) 21.537 1.846 ( 13.104 0.000 -8.902) 15.842 2.039 ( 14.556 0.000 15.154) 21.012 2.326 ( 15.843 0.000 -14.383) 21.398 2.684 ( 15.946 0.000 8.424) 18.034 2.794 ( 2.316 0.000 -2.759) 3.603 2.827 ( -3.186 -0.000 8.870) 9.425 3.004 ( -5.440 -0.000 -8.253) 9.885 3.118 ( 0.079 0.000 2.620) 2.621 3.129 ( -5.126 -0.000 -0.867) 5.198 3.208 ( -2.521 -0.000 -2.275) 3.396 3.230 ( 2.984 0.000 -2.423) 3.844 3.762 ( -5.297 -0.000 2.736) 5.962 3.820 ( -8.678 -0.000 -3.382) 9.314 4.116 ( 0.478 0.000 2.822) 2.862 4.129 ( -3.232 -0.000 1.507) 3.566 4.222 ( 2.313 0.000 18.510) 18.654 4.460 ( -0.676 -0.000 4.194) 4.248 4.539 ( 2.290 0.000 -12.699) 12.904 4.573 ( 1.200 0.000 -10.551) 10.619 4.953 ( 7.116 0.000 7.803) 10.561 5.076 ( 7.019 0.000 3.575) 7.877 5.161 ( 4.098 0.000 -6.947) 8.066 5.301 ( 0.785 0.000 -11.321) 11.348 5.418 ( -4.992 -0.000 1.342) 5.169 5.478 ( -5.412 -0.000 -2.692) 6.044 5.682 ( -7.982 -0.000 0.647) 8.008 5.735 ( -4.234 -0.000 -4.202) 5.965 5.923 ( 1.430 0.000 6.593) 6.746 5.972 ( 4.977 0.000 1.543) 5.210 6.067 ( 5.948 0.000 -5.097) 7.834 6.124 ( 2.584 0.000 -10.708) 11.015 6.500 ( 7.473 0.000 4.376) 8.660 6.512 ( 5.759 0.000 2.621) 6.327 6.950 ( -6.185 -0.000 8.029) 10.135 6.988 ( 0.044 0.000 5.761) 5.761 7.010 ( -4.132 -0.000 2.144) 4.655 7.134 ( -0.944 -0.000 -8.023) 8.079 7.466 ( -14.680 -0.000 2.323) 14.862 7.474 ( -18.222 -0.000 0.149) 18.223 7.633 ( 3.750 0.000 3.526) 5.147 7.670 ( 1.142 0.000 2.241) 2.515 7.705 ( -1.736 -0.000 14.949) 15.050 7.910 ( -2.175 -0.000 -2.133) 3.047 7.927 ( -3.948 -0.000 4.147) 5.726 7.993 ( -2.887 -0.000 -9.553) 9.980 7.998 ( -2.928 -0.000 -3.920) 4.893 8.094 ( -3.202 -0.000 -12.486) 12.890 8.463 ( 3.397 0.000 3.766) 5.072 8.557 ( -1.233 -0.000 -5.869) 5.997 8.729 ( 2.748 0.000 4.956) 5.667 8.846 ( 4.698 0.000 -4.511) 6.513 8.937 ( 5.626 0.000 8.624) 10.297 9.140 ( 3.306 0.000 -10.374) 10.888 9.494 ( 3.802 0.000 1.788) 4.201 9.539 ( 2.640 0.000 -2.514) 3.646 9.902 ( 10.017 0.000 7.926) 12.774 10.039 ( 10.991 0.000 -7.146) 13.109 10.754 ( -6.800 -0.000 3.639) 7.712 10.802 ( -8.991 -0.000 -2.007) 9.212 11.221 ( 0.750 0.000 10.114) 10.141 11.407 ( 0.803 0.000 -9.336) 9.370 12.689 ( -6.364 -0.000 24.071) 24.898 13.090 ( 2.443 0.000 -18.825) 18.983 13.780 ( 3.503 0.000 1.852) 3.963 13.824 ( 5.284 0.000 -2.806) 5.982 14.183 ( 0.876 0.000 0.126) 0.885 14.185 ( 0.829 0.000 -0.167) 0.845 15.571 ( -5.380 -0.000 4.368) 6.930 15.661 ( -2.642 -0.000 -5.203) 5.836 15.945 ( 0.995 0.000 0.738) 1.239 15.963 ( 1.635 0.000 -1.280) 2.077 ======================= Grid point 245 (86/93) ======================= q-point: ( 0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 18.528 -0.087 8.927) 20.567 1.972 ( 13.275 -0.901 -9.690) 16.460 2.229 ( 14.421 -5.713 16.592) 22.714 2.492 ( 14.576 -2.732 -11.947) 19.043 2.703 ( -7.842 0.653 4.148) 8.896 2.784 ( -8.488 -0.559 -3.666) 9.262 2.917 ( 7.056 -3.811 4.010) 8.967 2.954 ( -4.097 -0.115 0.592) 4.141 3.084 ( 1.707 1.376 1.341) 2.571 3.136 ( 1.713 -2.949 -4.335) 5.516 3.213 ( -0.581 -1.843 2.906) 3.489 3.292 ( -0.391 -3.228 -4.504) 5.555 3.708 ( -4.944 0.841 1.523) 5.241 3.753 ( -4.693 -0.359 -2.929) 5.544 4.019 ( -6.297 4.730 7.865) 11.130 4.080 ( -2.433 3.165 0.895) 4.091 4.236 ( 5.689 4.201 11.279) 13.312 4.392 ( 0.670 3.772 -1.377) 4.071 4.610 ( 0.024 -2.347 -4.899) 5.433 4.669 ( 4.009 -5.852 -8.593) 11.143 4.932 ( -4.115 3.581 9.882) 11.287 5.077 ( -0.278 1.661 9.599) 9.746 5.144 ( -2.589 5.214 -12.151) 13.473 5.284 ( 1.684 2.619 -11.361) 11.780 5.390 ( 2.778 2.600 1.099) 3.960 5.474 ( 6.099 1.573 -7.176) 9.548 5.696 ( -2.599 -8.411 3.395) 9.435 5.768 ( 0.225 -6.567 -3.518) 7.453 5.966 ( 2.314 -2.625 5.071) 6.161 6.031 ( 5.790 -0.810 1.172) 5.962 6.104 ( 5.847 1.296 -3.688) 7.033 6.148 ( 1.244 -0.608 -10.736) 10.825 6.476 ( 1.529 7.094 7.485) 10.426 6.561 ( 5.327 2.204 -0.357) 5.776 6.759 ( -6.152 7.182 6.694) 11.586 6.890 ( -5.301 7.006 -5.013) 10.115 7.072 ( -0.302 -4.478 5.838) 7.363 7.122 ( -2.363 3.915 -0.761) 4.636 7.247 ( -14.873 6.333 3.389) 16.517 7.320 ( -12.930 -0.558 -4.421) 13.676 7.635 ( 3.229 2.145 4.881) 6.233 7.661 ( 2.621 2.168 7.760) 8.473 7.723 ( 0.867 -0.156 5.410) 5.481 7.891 ( -2.081 0.550 -3.552) 4.154 7.922 ( -4.451 -3.449 7.064) 9.033 7.937 ( -3.118 -0.961 1.659) 3.660 8.039 ( -3.467 -2.427 -8.591) 9.577 8.134 ( -2.418 -8.430 -12.894) 15.594 8.481 ( 1.791 0.710 2.664) 3.287 8.545 ( -1.075 -0.591 -3.865) 4.055 8.639 ( -0.835 8.758 7.562) 11.601 8.826 ( 3.077 7.449 -10.891) 13.549 9.006 ( 3.592 -2.039 8.569) 9.512 9.166 ( 2.383 0.054 -7.574) 7.940 9.547 ( 8.480 -2.612 1.890) 9.072 9.600 ( 5.026 -3.305 -3.313) 6.868 10.092 ( 8.258 -8.865 8.084) 14.565 10.215 ( 7.723 -7.389 -5.114) 11.848 10.680 ( -6.763 0.965 2.066) 7.137 10.710 ( -9.703 0.417 -1.577) 9.839 11.207 ( 0.846 2.337 9.614) 9.930 11.391 ( 0.885 2.710 -9.430) 9.851 12.624 ( -6.330 0.319 26.091) 26.850 13.089 ( -1.728 0.237 -23.611) 23.676 13.818 ( 6.020 0.761 4.385) 7.486 13.902 ( 5.310 -2.374 -4.438) 7.316 14.220 ( 1.251 -4.108 2.159) 4.807 14.258 ( 1.070 -6.354 -1.925) 6.725 15.475 ( -4.315 5.516 6.037) 9.246 15.588 ( -1.800 5.654 -5.942) 8.397 15.959 ( 0.721 -0.542 1.109) 1.429 15.983 ( 1.224 -0.648 -1.468) 2.018 ======================= Grid point 246 (87/93) ======================= q-point: ( 0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 16.515 -2.219 5.977) 17.703 2.127 ( 14.744 -0.423 -9.116) 17.340 2.461 ( 7.131 -7.652 10.499) 14.820 2.625 ( -5.385 -2.529 -7.432) 9.520 2.667 ( 3.707 -1.475 4.062) 5.693 2.728 ( -3.249 -5.210 -2.028) 6.466 2.922 ( -2.812 0.550 0.615) 2.931 2.931 ( -0.425 5.206 -1.591) 5.460 3.080 ( 3.807 3.315 6.615) 8.321 3.168 ( 5.209 4.225 -1.740) 6.929 3.282 ( -4.635 -7.266 1.843) 8.814 3.357 ( -3.759 -4.550 -5.148) 7.831 3.649 ( -3.509 1.281 2.558) 4.527 3.712 ( -1.364 2.297 -3.386) 4.313 3.916 ( -2.144 0.770 6.916) 7.282 4.004 ( -2.279 1.701 -1.059) 3.035 4.201 ( -0.224 1.375 7.848) 7.971 4.337 ( -1.757 0.931 -4.770) 5.168 4.588 ( -5.438 4.140 6.696) 9.568 4.747 ( 2.704 2.176 -8.198) 8.902 4.853 ( -3.427 -2.059 7.633) 8.616 5.011 ( -0.579 3.609 -0.193) 3.660 5.072 ( -4.476 -3.317 -1.560) 5.785 5.256 ( 0.725 1.696 -11.151) 11.303 5.364 ( 4.737 4.189 3.584) 7.269 5.498 ( 8.306 3.595 -10.061) 13.533 5.848 ( 2.029 -6.326 4.302) 7.915 5.911 ( 3.989 -4.495 -2.912) 6.678 5.991 ( 0.259 4.590 7.156) 8.505 6.091 ( 5.082 0.013 2.263) 5.563 6.161 ( 2.550 -0.966 -5.675) 6.296 6.208 ( 6.231 -5.209 -4.337) 9.207 6.329 ( -3.972 3.757 3.623) 6.559 6.469 ( -2.435 10.004 -9.420) 13.955 6.655 ( 0.085 1.179 6.567) 6.673 6.767 ( -0.260 3.239 -5.441) 6.338 6.911 ( -8.137 11.391 2.845) 14.285 6.953 ( -5.731 10.278 -0.975) 11.809 7.188 ( -2.309 -4.814 4.943) 7.276 7.271 ( -3.710 -0.449 -5.419) 6.583 7.621 ( 2.196 3.342 3.931) 5.608 7.638 ( 1.858 3.119 6.141) 7.134 7.681 ( 0.352 6.072 4.551) 7.596 7.817 ( -3.492 4.574 -0.552) 5.781 7.922 ( -2.149 -2.516 0.121) 3.311 8.009 ( -2.317 -7.166 15.478) 17.213 8.037 ( -4.010 -2.019 -8.601) 9.702 8.302 ( -1.556 -11.580 -8.938) 14.710 8.412 ( 0.724 7.840 6.219) 10.033 8.550 ( -2.500 -1.471 2.913) 4.111 8.571 ( 0.373 -2.658 -4.722) 5.431 8.708 ( -0.440 5.144 -13.759) 14.695 9.054 ( 2.031 -0.210 7.102) 7.390 9.174 ( 0.909 0.757 -5.182) 5.316 9.727 ( 9.854 -6.336 0.577) 11.729 9.748 ( 10.310 -5.129 -1.375) 11.597 10.298 ( 2.086 -7.187 7.195) 10.381 10.378 ( 1.471 -5.389 0.092) 5.587 10.594 ( -9.225 0.708 -0.963) 9.302 10.637 ( -3.400 -1.324 -3.103) 4.790 11.161 ( 0.734 3.513 8.656) 9.370 11.333 ( 0.687 4.518 -9.028) 10.119 12.564 ( -4.989 0.363 26.737) 27.201 13.059 ( -2.740 0.581 -26.078) 26.228 13.859 ( 5.006 0.591 6.564) 8.276 13.987 ( 3.897 -2.077 -7.022) 8.295 14.349 ( 2.156 -8.486 4.123) 9.678 14.419 ( 1.572 -10.224 -3.471) 10.911 15.304 ( -3.379 9.799 7.835) 12.993 15.438 ( -1.242 9.702 -6.492) 11.740 15.977 ( 0.396 -0.956 1.549) 1.863 16.007 ( 0.657 -1.086 -1.653) 2.084 ======================= Grid point 247 (88/93) ======================= q-point: ( 0.60 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 8.074 -1.539 0.921) 8.270 2.203 ( 8.929 4.245 -5.724) 11.424 2.544 ( -3.664 6.686 3.040) 8.208 2.619 ( 1.773 3.955 -3.905) 5.834 2.761 ( -0.354 -9.665 4.950) 10.864 2.822 ( 4.651 0.791 6.603) 8.116 2.865 ( -1.633 -10.485 -5.936) 12.159 2.898 ( 3.895 5.008 -0.652) 6.378 3.037 ( -0.447 1.783 8.059) 8.266 3.149 ( 3.326 1.659 -1.895) 4.172 3.268 ( -10.223 3.716 0.118) 10.878 3.288 ( -4.661 2.998 -1.212) 5.673 3.616 ( 0.058 0.293 2.930) 2.945 3.700 ( 2.473 0.730 -5.671) 6.230 3.909 ( -0.850 1.171 2.224) 2.653 3.963 ( -2.797 1.351 -2.663) 4.091 4.257 ( -1.751 -11.538 10.182) 15.487 4.414 ( -1.387 -5.838 1.095) 6.099 4.438 ( -4.932 -2.079 3.671) 6.490 4.644 ( -1.737 7.158 -11.362) 13.541 4.933 ( 1.526 -5.778 11.085) 12.593 4.990 ( 0.980 0.936 10.473) 10.560 5.156 ( -0.266 -8.064 -10.601) 13.323 5.232 ( -1.560 0.355 -11.703) 11.812 5.341 ( 3.000 2.044 5.836) 6.873 5.501 ( 5.470 3.206 -10.542) 12.302 5.761 ( -1.578 16.024 11.648) 19.873 5.920 ( 3.900 4.880 -3.755) 7.289 5.994 ( -1.134 -0.224 -1.490) 1.886 6.034 ( -1.808 4.756 -6.311) 8.107 6.159 ( 2.044 3.695 4.113) 5.894 6.310 ( 0.208 -2.627 6.201) 6.737 6.331 ( 1.828 -0.159 -11.454) 11.600 6.417 ( 0.896 -6.560 -4.223) 7.854 6.641 ( -2.753 12.320 2.592) 12.888 6.663 ( 0.171 10.355 -0.274) 10.360 6.682 ( 0.550 -1.093 6.322) 6.439 6.838 ( 2.409 -3.325 -9.714) 10.546 7.201 ( -1.031 4.575 0.182) 4.693 7.235 ( -2.270 1.078 -4.026) 4.745 7.510 ( -0.584 9.065 2.541) 9.433 7.538 ( -1.909 4.791 -0.240) 5.162 7.615 ( -0.192 1.800 11.301) 11.446 7.731 ( -1.125 2.392 1.504) 3.041 7.963 ( -0.401 -3.043 -0.500) 3.109 8.046 ( -2.430 -2.460 -6.907) 7.725 8.107 ( -0.951 -5.300 17.093) 17.921 8.315 ( -0.164 2.663 7.717) 8.165 8.486 ( -0.812 -9.984 -8.710) 13.275 8.575 ( -0.907 -2.693 3.886) 4.814 8.641 ( 1.513 -3.810 -9.205) 10.077 8.676 ( -2.056 -2.929 -9.654) 10.296 9.050 ( 0.714 2.153 5.786) 6.214 9.156 ( 0.211 1.937 -4.912) 5.285 9.907 ( 6.725 -5.476 3.307) 9.281 9.961 ( 13.253 -5.181 -1.809) 14.344 10.295 ( -8.939 1.743 6.825) 11.381 10.444 ( -4.962 0.182 -7.830) 9.272 10.537 ( -1.119 -3.847 9.157) 9.995 10.702 ( 0.868 -5.650 -7.099) 9.114 11.109 ( 0.521 2.789 7.221) 7.759 11.255 ( 0.423 4.589 -7.690) 8.965 12.518 ( -2.952 0.684 26.560) 26.733 13.021 ( -1.948 1.198 -27.212) 27.308 13.889 ( 2.862 0.169 8.022) 8.519 14.045 ( 1.913 -1.476 -8.476) 8.813 14.542 ( 2.261 -10.813 4.967) 12.112 14.631 ( 1.783 -11.777 -4.504) 12.734 15.075 ( -2.699 12.832 9.662) 16.288 15.230 ( -1.143 12.491 -7.098) 14.412 15.999 ( 0.139 -1.291 1.758) 2.186 16.032 ( 0.218 -1.252 -1.686) 2.112 ======================= Grid point 248 (89/93) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 0.000 1.584 -1.469) 2.160 2.216 ( -0.000 -3.225 -4.316) 5.387 2.290 ( 0.000 16.372 5.836) 17.381 2.402 ( 0.000 15.742 -5.734) 16.754 2.692 ( 0.000 14.907 6.861) 16.411 2.776 ( 0.000 11.055 -1.061) 11.106 2.947 ( -0.000 -0.848 10.062) 10.097 3.080 ( -0.000 -3.770 8.286) 9.103 3.125 ( 0.000 0.372 -6.774) 6.785 3.199 ( -0.000 -17.830 0.294) 17.833 3.202 ( -0.000 -2.470 -4.104) 4.790 3.239 ( -0.000 -13.044 -5.119) 14.012 3.609 ( 0.000 1.021 3.105) 3.269 3.689 ( 0.000 1.924 -5.354) 5.689 3.834 ( 0.000 4.648 4.519) 6.483 3.931 ( 0.000 1.128 -5.414) 5.531 4.310 ( 0.000 4.000 10.594) 11.324 4.507 ( 0.000 6.955 -10.496) 12.591 4.578 ( -0.000 -22.621 11.518) 25.385 4.755 ( -0.000 -21.959 -7.051) 23.063 4.955 ( 0.000 2.964 11.091) 11.480 5.051 ( -0.000 -5.508 16.151) 17.064 5.179 ( 0.000 2.956 -10.619) 11.023 5.324 ( -0.000 -6.812 -12.931) 14.616 5.384 ( -0.000 -6.180 4.841) 7.850 5.446 ( 0.000 16.851 11.017) 20.133 5.535 ( -0.000 -5.761 -10.934) 12.358 5.671 ( 0.000 17.362 -12.371) 21.319 5.980 ( 0.000 2.848 -1.118) 3.060 6.010 ( -0.000 -0.164 -3.803) 3.806 6.136 ( 0.000 2.165 6.890) 7.223 6.304 ( 0.000 2.275 10.284) 10.532 6.305 ( 0.000 10.237 -7.774) 12.854 6.417 ( 0.000 7.755 -0.557) 7.775 6.455 ( 0.000 10.775 -1.897) 10.941 6.478 ( 0.000 0.114 -8.437) 8.438 6.793 ( -0.000 -7.798 9.790) 12.516 6.981 ( -0.000 -7.503 -10.456) 12.869 7.070 ( 0.000 6.790 0.758) 6.832 7.114 ( 0.000 7.949 -4.923) 9.350 7.434 ( 0.000 0.493 4.191) 4.220 7.489 ( -0.000 -0.049 -1.337) 1.337 7.592 ( 0.000 0.247 9.660) 9.663 7.695 ( 0.000 0.804 0.172) 0.822 8.011 ( -0.000 -2.489 0.472) 2.534 8.075 ( -0.000 -2.108 -5.111) 5.529 8.166 ( -0.000 -1.778 13.965) 14.078 8.314 ( -0.000 -2.244 4.266) 4.820 8.614 ( -0.000 -1.881 6.870) 7.123 8.620 ( -0.000 -5.399 -5.030) 7.379 8.723 ( -0.000 -5.040 -9.626) 10.866 8.752 ( -0.000 -5.268 -7.832) 9.439 8.991 ( 0.000 4.852 5.450) 7.297 9.111 ( 0.000 3.309 -6.376) 7.184 10.028 ( -0.000 -3.619 7.141) 8.006 10.145 ( 0.000 6.085 11.179) 12.728 10.154 ( -0.000 -5.698 -6.129) 8.368 10.354 ( 0.000 4.608 -11.225) 12.135 10.620 ( -0.000 -4.192 9.984) 10.828 10.805 ( -0.000 -4.964 -9.418) 10.646 11.083 ( 0.000 0.360 6.118) 6.128 11.195 ( 0.000 1.934 -5.418) 5.753 12.487 ( 0.000 1.120 25.609) 25.634 12.982 ( 0.000 2.138 -27.433) 27.517 13.906 ( -0.000 -0.476 9.145) 9.157 14.077 ( -0.000 -1.175 -8.879) 8.957 14.756 ( -0.000 -11.778 5.003) 12.796 14.815 ( 0.000 14.592 11.246) 18.422 14.852 ( -0.000 -11.885 -5.184) 12.966 14.988 ( 0.000 13.968 -7.642) 15.922 16.021 ( -0.000 -1.024 1.718) 2.000 16.052 ( -0.000 -0.863 -1.559) 1.782 ======================= Grid point 255 (90/93) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 19.391 0.000 5.854) 20.255 2.065 ( 9.527 0.000 -2.538) 9.860 2.309 ( 13.474 0.000 18.738) 23.079 2.587 ( 10.307 0.000 -10.569) 14.763 2.642 ( -8.193 -0.000 -0.712) 8.224 2.675 ( -12.109 -0.000 -4.258) 12.836 2.909 ( -4.378 -0.000 4.076) 5.982 2.955 ( 5.393 0.000 -0.007) 5.393 3.047 ( -3.821 -0.000 -3.896) 5.457 3.063 ( -1.380 -0.000 -3.978) 4.211 3.239 ( 1.771 0.000 3.378) 3.814 3.297 ( 1.981 0.000 -2.794) 3.425 3.684 ( -5.224 -0.000 -0.534) 5.252 3.690 ( -2.427 -0.000 -1.647) 2.933 4.008 ( -4.768 -0.000 8.932) 10.125 4.081 ( -2.790 -0.000 0.470) 2.829 4.393 ( 10.558 0.000 14.125) 17.635 4.450 ( 1.059 0.000 6.291) 6.380 4.586 ( 1.068 0.000 -8.958) 9.022 4.672 ( 10.053 0.000 -14.505) 17.649 4.895 ( -10.924 -0.000 12.228) 16.397 5.089 ( -2.670 -0.000 8.241) 8.663 5.146 ( -6.715 -0.000 -12.702) 14.367 5.325 ( -0.215 -0.000 -15.131) 15.132 5.516 ( 13.556 0.000 3.483) 13.996 5.547 ( -4.094 -0.000 5.891) 7.174 5.614 ( 14.792 0.000 -7.135) 16.423 5.665 ( -2.569 -0.000 -6.741) 7.214 5.951 ( 0.208 0.000 5.605) 5.608 6.069 ( 4.393 0.000 -0.964) 4.497 6.144 ( -0.626 -0.000 -8.585) 8.608 6.163 ( 4.259 0.000 -5.088) 6.635 6.593 ( 2.576 0.000 4.673) 5.336 6.605 ( 2.833 0.000 5.073) 5.810 6.776 ( -10.098 -0.000 9.164) 13.637 6.855 ( -7.883 -0.000 -0.765) 7.920 7.025 ( 1.138 0.000 4.902) 5.032 7.140 ( -1.769 -0.000 -5.360) 5.645 7.175 ( -12.092 -0.000 2.998) 12.458 7.212 ( -8.463 -0.000 -2.237) 8.754 7.692 ( 2.727 0.000 5.739) 6.354 7.701 ( 0.614 0.000 14.461) 14.474 7.709 ( 2.654 0.000 4.046) 4.839 7.846 ( -3.901 -0.000 1.838) 4.312 7.853 ( -4.157 -0.000 5.214) 6.668 7.950 ( -1.858 -0.000 -7.276) 7.509 7.970 ( -0.012 -0.000 -12.799) 12.799 8.038 ( -2.672 -0.000 -13.178) 13.446 8.479 ( -0.379 -0.000 1.568) 1.613 8.523 ( -1.569 -0.000 -3.194) 3.559 8.773 ( 1.498 0.000 8.115) 8.252 8.931 ( 3.356 0.000 -2.150) 3.986 9.021 ( 3.192 0.000 1.826) 3.678 9.182 ( 1.384 0.000 -8.260) 8.375 9.557 ( 2.566 0.000 -0.128) 2.569 9.580 ( 1.632 0.000 -1.822) 2.446 10.125 ( 13.256 0.000 8.444) 15.717 10.244 ( 10.477 0.000 -4.759) 11.507 10.612 ( -11.266 -0.000 0.632) 11.284 10.622 ( -7.293 -0.000 0.292) 7.299 11.236 ( 0.695 0.000 9.734) 9.759 11.423 ( 0.792 0.000 -9.680) 9.712 12.571 ( -5.101 -0.000 27.299) 27.771 13.069 ( -2.610 -0.000 -25.818) 25.949 13.887 ( 5.770 0.000 1.901) 6.075 13.920 ( 4.078 0.000 -1.748) 4.437 14.198 ( 0.670 0.000 0.186) 0.695 14.200 ( 0.693 0.000 -0.065) 0.696 15.489 ( -3.184 -0.000 7.488) 8.137 15.623 ( -1.400 -0.000 -6.777) 6.920 15.961 ( 0.662 0.000 1.202) 1.373 15.988 ( 0.981 0.000 -1.711) 1.972 ======================= Grid point 256 (91/93) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 18.137 1.375 4.994) 18.862 2.191 ( 8.708 -5.465 0.528) 10.295 2.412 ( -1.859 0.016 8.289) 8.495 2.529 ( -8.361 3.517 -7.460) 11.744 2.570 ( -5.021 -6.151 7.871) 11.180 2.748 ( 9.616 -3.765 -8.140) 13.149 2.882 ( -2.936 -0.461 4.378) 5.292 2.962 ( -1.286 1.236 -4.019) 4.397 3.083 ( -1.923 -5.424 0.150) 5.757 3.139 ( 1.071 -7.906 -4.280) 9.054 3.223 ( -1.137 1.653 3.050) 3.651 3.294 ( -0.393 1.205 -3.634) 3.848 3.634 ( -2.022 0.796 2.299) 3.164 3.701 ( -0.898 -1.670 -4.734) 5.100 3.944 ( -1.559 3.295 9.160) 9.859 4.039 ( -1.308 2.544 -1.138) 3.078 4.319 ( 1.693 9.381 9.061) 13.152 4.441 ( 4.826 7.195 -0.423) 8.674 4.617 ( -0.190 1.567 5.400) 5.625 4.775 ( -7.469 -0.617 8.203) 11.112 4.796 ( 8.415 -2.174 -10.539) 13.661 4.983 ( -10.363 2.636 -9.339) 14.197 5.087 ( 0.140 3.166 4.341) 5.374 5.301 ( 0.639 2.010 -14.236) 14.392 5.487 ( 2.891 3.231 5.681) 7.146 5.624 ( 3.916 2.266 -9.152) 10.209 5.720 ( 4.896 -8.333 7.378) 12.159 5.844 ( 7.879 -7.692 -5.642) 12.372 5.969 ( -2.569 -3.030 2.820) 4.872 6.113 ( 0.091 -1.277 -9.204) 9.293 6.150 ( 1.534 -1.876 -0.355) 2.450 6.206 ( 3.944 -1.354 -4.631) 6.231 6.432 ( -4.582 12.139 12.832) 18.248 6.612 ( -0.686 5.409 -4.574) 7.117 6.677 ( -2.046 2.105 6.073) 6.745 6.792 ( -2.040 1.229 -5.404) 5.906 7.009 ( -6.342 7.670 3.933) 10.701 7.050 ( -4.995 5.854 0.434) 7.708 7.077 ( -0.156 -4.942 7.767) 9.207 7.210 ( -0.880 -2.652 -7.375) 7.886 7.688 ( 0.689 1.818 14.302) 14.433 7.707 ( 4.130 1.411 4.152) 6.024 7.752 ( 1.698 -0.068 4.169) 4.502 7.810 ( -5.320 0.302 3.934) 6.624 7.853 ( -2.322 -3.201 0.221) 3.961 7.906 ( -0.865 -0.933 1.326) 1.838 8.001 ( -0.730 0.183 -11.616) 11.641 8.099 ( -1.085 -9.495 -13.353) 16.421 8.488 ( -0.272 -1.306 1.251) 1.828 8.526 ( -0.553 -1.627 -2.787) 3.274 8.633 ( -0.053 12.678 9.838) 16.047 8.869 ( 1.196 10.461 -14.117) 17.611 9.048 ( 1.047 -1.946 8.738) 9.013 9.191 ( 0.561 0.329 -5.862) 5.898 9.656 ( 2.535 -7.206 0.520) 7.657 9.686 ( 3.267 -9.048 -2.740) 10.002 10.274 ( 10.721 -2.379 7.622) 13.367 10.351 ( 5.815 -1.701 -0.530) 6.082 10.504 ( -10.930 -0.248 1.196) 10.998 10.568 ( -5.341 -1.574 -3.302) 6.473 11.220 ( 0.386 2.333 9.395) 9.688 11.404 ( 0.430 2.781 -9.636) 10.039 12.532 ( -2.750 0.186 27.664) 27.801 13.045 ( -1.701 0.299 -27.001) 27.056 13.912 ( 2.873 1.129 3.408) 4.598 13.979 ( 2.360 -2.160 -3.818) 4.981 14.240 ( 0.680 -4.886 2.047) 5.341 14.274 ( 0.493 -6.807 -1.632) 7.017 15.417 ( -1.689 5.510 8.615) 10.365 15.564 ( -0.656 5.441 -7.157) 9.014 15.969 ( 0.307 -0.368 1.414) 1.493 15.999 ( 0.473 -0.459 -1.798) 1.915 ======================= Grid point 257 (92/93) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 0.000 3.422 6.153) 7.040 2.364 ( 0.000 7.152 -10.283) 12.526 2.414 ( -0.000 -8.426 0.546) 8.444 2.436 ( -0.000 -14.160 -1.400) 14.229 2.725 ( -0.000 -9.429 12.843) 15.933 2.804 ( 0.000 6.067 4.452) 7.525 2.897 ( -0.000 -4.913 -5.407) 7.306 2.902 ( 0.000 4.922 -5.877) 7.666 3.138 ( 0.000 5.811 6.716) 8.881 3.191 ( -0.000 -5.978 4.803) 7.669 3.244 ( 0.000 3.650 -4.732) 5.977 3.284 ( -0.000 -3.237 -4.305) 5.387 3.617 ( 0.000 0.115 3.770) 3.771 3.719 ( -0.000 -0.449 -6.775) 6.790 3.893 ( 0.000 0.356 5.751) 5.762 3.973 ( 0.000 2.863 -1.621) 3.290 4.204 ( 0.000 3.771 6.372) 7.404 4.321 ( 0.000 4.069 -5.022) 6.464 4.522 ( 0.000 6.387 14.506) 15.850 4.778 ( 0.000 7.906 -12.574) 14.853 4.820 ( -0.000 -6.038 7.203) 9.399 4.986 ( -0.000 -8.236 -10.264) 13.160 5.033 ( 0.000 2.768 9.590) 9.981 5.266 ( 0.000 2.329 -13.572) 13.770 5.432 ( 0.000 5.031 6.604) 8.302 5.594 ( 0.000 3.828 -10.282) 10.971 5.886 ( -0.000 -7.359 6.665) 9.929 5.973 ( 0.000 1.584 4.498) 4.768 6.006 ( -0.000 -3.638 -7.153) 8.025 6.057 ( 0.000 8.353 1.377) 8.466 6.238 ( -0.000 -5.550 3.869) 6.765 6.240 ( 0.000 2.847 0.886) 2.982 6.303 ( -0.000 -6.504 -3.398) 7.338 6.420 ( 0.000 11.924 -10.808) 16.093 6.661 ( -0.000 -0.120 6.092) 6.093 6.788 ( -0.000 -1.271 -7.807) 7.910 6.817 ( 0.000 10.273 4.056) 11.044 6.874 ( 0.000 10.824 -1.541) 10.933 7.170 ( -0.000 -4.853 4.187) 6.409 7.241 ( -0.000 -0.805 -4.806) 4.873 7.653 ( 0.000 2.389 13.218) 13.432 7.659 ( 0.000 7.569 1.900) 7.804 7.687 ( 0.000 8.325 -1.043) 8.390 7.760 ( 0.000 1.395 4.502) 4.713 7.904 ( -0.000 -3.508 -2.756) 4.461 7.987 ( -0.000 -7.017 16.243) 17.694 8.001 ( -0.000 -1.159 -9.574) 9.644 8.286 ( -0.000 -11.506 -8.401) 14.247 8.420 ( 0.000 9.423 7.162) 11.836 8.522 ( -0.000 -2.522 2.115) 3.292 8.572 ( -0.000 -3.790 -3.244) 4.989 8.704 ( 0.000 6.788 -16.261) 17.621 9.072 ( -0.000 -0.052 6.628) 6.628 9.183 ( 0.000 0.949 -4.657) 4.753 9.814 ( -0.000 -8.226 3.089) 8.787 9.885 ( -0.000 -9.815 -4.372) 10.745 10.308 ( 0.000 3.191 6.635) 7.362 10.438 ( 0.000 0.190 -7.279) 7.281 10.443 ( -0.000 -4.708 11.143) 12.097 10.609 ( -0.000 -4.995 -5.978) 7.790 11.169 ( 0.000 3.454 8.471) 9.148 11.340 ( 0.000 4.540 -9.089) 10.160 12.514 ( 0.000 0.434 27.427) 27.430 13.028 ( 0.000 0.698 -27.432) 27.441 13.910 ( 0.000 0.620 5.815) 5.848 14.025 ( -0.000 -1.815 -6.526) 6.773 14.372 ( -0.000 -9.256 3.682) 9.962 14.435 ( -0.000 -10.811 -3.113) 11.251 15.270 ( 0.000 10.163 9.426) 13.861 15.425 ( 0.000 9.862 -7.306) 12.274 15.981 ( -0.000 -0.865 1.650) 1.863 16.013 ( -0.000 -0.937 -1.807) 2.036 ======================= Grid point 268 (93/93) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -0.000 -0.000 9.444) 9.444 2.326 ( -0.000 -0.000 -7.232) 7.232 2.358 ( 0.000 0.000 9.063) 9.063 2.460 ( 0.000 0.000 18.798) 18.798 2.546 ( 0.000 0.000 -11.171) 11.171 2.745 ( 0.000 0.000 -11.342) 11.342 2.862 ( 0.000 0.000 5.462) 5.462 2.966 ( 0.000 0.000 -4.992) 4.992 3.035 ( 0.000 0.000 -4.296) 4.296 3.037 ( 0.000 0.000 -3.569) 3.569 3.239 ( 0.000 0.000 4.571) 4.571 3.305 ( 0.000 0.000 -2.924) 2.924 3.638 ( 0.000 0.000 0.890) 0.890 3.672 ( 0.000 0.000 -3.577) 3.577 3.969 ( 0.000 0.000 9.313) 9.313 4.051 ( 0.000 0.000 0.044) 0.044 4.431 ( 0.000 0.000 8.031) 8.031 4.596 ( 0.000 0.000 -9.962) 9.962 4.646 ( -0.000 -0.000 16.991) 16.991 4.660 ( 0.000 0.000 9.465) 9.465 4.858 ( 0.000 0.000 -11.018) 11.018 4.935 ( -0.000 -0.000 -10.013) 10.013 5.120 ( -0.000 -0.000 1.519) 1.519 5.322 ( 0.000 0.000 -15.554) 15.554 5.499 ( 0.000 0.000 7.679) 7.679 5.624 ( 0.000 0.000 -4.652) 4.652 5.712 ( 0.000 0.000 2.956) 2.956 5.835 ( 0.000 0.000 -9.131) 9.131 5.913 ( -0.000 -0.000 6.375) 6.375 6.095 ( 0.000 0.000 -13.121) 13.121 6.135 ( 0.000 0.000 2.408) 2.408 6.211 ( 0.000 0.000 -6.348) 6.348 6.593 ( -0.000 -0.000 7.489) 7.489 6.604 ( 0.000 0.000 6.518) 6.518 6.676 ( 0.000 0.000 7.377) 7.377 6.790 ( 0.000 0.000 -4.990) 4.990 7.032 ( 0.000 0.000 6.344) 6.344 7.060 ( 0.000 0.000 3.799) 3.799 7.067 ( 0.000 0.000 2.394) 2.394 7.184 ( 0.000 0.000 -8.692) 8.692 7.707 ( 0.000 0.000 15.121) 15.121 7.735 ( 0.000 0.000 7.498) 7.498 7.752 ( -0.000 -0.000 7.725) 7.725 7.791 ( 0.000 0.000 -0.384) 0.384 7.794 ( 0.000 0.000 3.478) 3.478 7.933 ( 0.000 0.000 -8.245) 8.245 7.977 ( -0.000 -0.000 -14.185) 14.185 8.006 ( 0.000 0.000 -12.525) 12.525 8.473 ( 0.000 0.000 0.974) 0.974 8.508 ( 0.000 0.000 -2.956) 2.956 8.786 ( 0.000 0.000 9.606) 9.606 8.962 ( 0.000 0.000 -1.110) 1.110 9.052 ( 0.000 0.000 -0.995) 0.995 9.195 ( 0.000 0.000 -7.457) 7.457 9.582 ( 0.000 0.000 -0.774) 0.774 9.596 ( 0.000 0.000 -1.420) 1.420 10.354 ( 0.000 0.000 11.239) 11.239 10.384 ( -0.000 -0.000 0.657) 0.657 10.405 ( -0.000 -0.000 -1.329) 1.329 10.514 ( 0.000 0.000 -5.295) 5.295 11.243 ( 0.000 0.000 9.697) 9.697 11.431 ( 0.000 0.000 -9.792) 9.792 12.521 ( 0.000 0.000 27.943) 27.943 13.039 ( 0.000 0.000 -27.294) 27.294 13.946 ( 0.000 0.000 0.573) 0.573 13.960 ( 0.000 0.000 -0.908) 0.908 14.205 ( 0.000 0.000 0.255) 0.255 14.207 ( 0.000 0.000 -0.043) 0.043 15.458 ( 0.000 0.000 8.874) 8.874 15.610 ( 0.000 0.000 -7.340) 7.340 15.967 ( 0.000 0.000 1.358) 1.358 15.998 ( 0.000 0.000 -1.843) 1.843 =================== 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 3/36000 10.0 1837.717 1708.796 2054.017 0.000 0.000 0.000 3/36000 20.0 160.076 138.262 172.366 0.000 0.000 0.000 3/36000 30.0 54.135 43.688 55.492 0.000 0.000 0.000 3/36000 40.0 27.588 21.930 28.117 0.000 0.000 0.000 3/36000 50.0 17.079 13.632 17.475 0.000 0.000 0.000 3/36000 60.0 11.908 9.603 12.247 0.000 0.000 0.000 3/36000 70.0 8.982 7.329 9.282 0.000 0.000 0.000 3/36000 80.0 7.155 5.904 7.426 0.000 0.000 0.000 3/36000 90.0 5.927 4.941 6.177 0.000 0.000 0.000 3/36000 100.0 5.054 4.252 5.288 0.000 0.000 0.000 3/36000 110.0 4.406 3.736 4.627 0.000 0.000 0.000 3/36000 120.0 3.907 3.336 4.118 0.000 0.000 0.000 3/36000 130.0 3.512 3.017 3.714 0.000 0.000 0.000 3/36000 140.0 3.192 2.756 3.386 0.000 0.000 0.000 3/36000 150.0 2.927 2.539 3.115 0.000 0.000 0.000 3/36000 160.0 2.704 2.356 2.886 0.000 0.000 0.000 3/36000 170.0 2.514 2.199 2.690 0.000 0.000 0.000 3/36000 180.0 2.350 2.062 2.521 0.000 0.000 0.000 3/36000 190.0 2.206 1.942 2.373 0.000 0.000 0.000 3/36000 200.0 2.080 1.836 2.242 0.000 0.000 0.000 3/36000 210.0 1.968 1.742 2.125 0.000 0.000 0.000 3/36000 220.0 1.868 1.657 2.021 0.000 0.000 0.000 3/36000 230.0 1.778 1.581 1.927 0.000 0.000 0.000 3/36000 240.0 1.696 1.511 1.841 0.000 0.000 0.000 3/36000 250.0 1.622 1.448 1.763 0.000 0.000 0.000 3/36000 260.0 1.554 1.390 1.692 0.000 0.000 0.000 3/36000 270.0 1.492 1.336 1.626 0.000 0.000 0.000 3/36000 280.0 1.435 1.287 1.566 0.000 0.000 0.000 3/36000 290.0 1.382 1.241 1.509 0.000 0.000 0.000 3/36000 300.0 1.333 1.199 1.457 0.000 0.000 0.000 3/36000 310.0 1.288 1.159 1.409 0.000 0.000 0.000 3/36000 320.0 1.245 1.122 1.363 0.000 0.000 0.000 3/36000 330.0 1.205 1.087 1.321 0.000 0.000 0.000 3/36000 340.0 1.168 1.055 1.281 0.000 0.000 0.000 3/36000 350.0 1.133 1.024 1.243 0.000 0.000 0.000 3/36000 360.0 1.100 0.995 1.208 0.000 0.000 0.000 3/36000 370.0 1.069 0.968 1.175 0.000 0.000 0.000 3/36000 380.0 1.040 0.942 1.143 0.000 0.000 0.000 3/36000 390.0 1.012 0.917 1.113 0.000 0.000 0.000 3/36000 400.0 0.986 0.894 1.085 0.000 0.000 0.000 3/36000 410.0 0.961 0.872 1.058 0.000 0.000 0.000 3/36000 420.0 0.938 0.851 1.032 0.000 0.000 0.000 3/36000 430.0 0.915 0.831 1.008 0.000 0.000 0.000 3/36000 440.0 0.894 0.812 0.985 0.000 0.000 0.000 3/36000 450.0 0.873 0.794 0.963 0.000 0.000 0.000 3/36000 460.0 0.854 0.776 0.941 0.000 0.000 0.000 3/36000 470.0 0.835 0.760 0.921 0.000 0.000 0.000 3/36000 480.0 0.817 0.744 0.902 0.000 0.000 0.000 3/36000 490.0 0.800 0.729 0.883 0.000 0.000 0.000 3/36000 500.0 0.784 0.714 0.865 0.000 0.000 0.000 3/36000 510.0 0.768 0.700 0.848 0.000 0.000 0.000 3/36000 520.0 0.753 0.686 0.832 0.000 0.000 0.000 3/36000 530.0 0.739 0.673 0.816 0.000 0.000 0.000 3/36000 540.0 0.725 0.661 0.801 0.000 0.000 0.000 3/36000 550.0 0.711 0.649 0.786 0.000 0.000 0.000 3/36000 560.0 0.698 0.637 0.772 0.000 0.000 0.000 3/36000 570.0 0.686 0.626 0.758 0.000 0.000 0.000 3/36000 580.0 0.674 0.615 0.745 0.000 0.000 0.000 3/36000 590.0 0.662 0.605 0.732 0.000 0.000 0.000 3/36000 600.0 0.651 0.594 0.720 0.000 0.000 0.000 3/36000 610.0 0.640 0.585 0.708 0.000 0.000 0.000 3/36000 620.0 0.630 0.575 0.697 0.000 0.000 0.000 3/36000 630.0 0.620 0.566 0.685 0.000 0.000 0.000 3/36000 640.0 0.610 0.557 0.675 0.000 0.000 0.000 3/36000 650.0 0.600 0.549 0.664 0.000 0.000 0.000 3/36000 660.0 0.591 0.540 0.654 0.000 0.000 0.000 3/36000 670.0 0.582 0.532 0.644 0.000 0.000 0.000 3/36000 680.0 0.573 0.524 0.635 0.000 0.000 0.000 3/36000 690.0 0.565 0.517 0.626 0.000 0.000 0.000 3/36000 700.0 0.557 0.509 0.617 0.000 0.000 0.000 3/36000 710.0 0.549 0.502 0.608 0.000 0.000 0.000 3/36000 720.0 0.541 0.495 0.599 0.000 0.000 0.000 3/36000 730.0 0.534 0.488 0.591 0.000 0.000 0.000 3/36000 740.0 0.526 0.482 0.583 0.000 0.000 0.000 3/36000 750.0 0.519 0.475 0.575 0.000 0.000 0.000 3/36000 760.0 0.512 0.469 0.568 0.000 0.000 0.000 3/36000 770.0 0.506 0.463 0.560 0.000 0.000 0.000 3/36000 780.0 0.499 0.457 0.553 0.000 0.000 0.000 3/36000 790.0 0.493 0.451 0.546 0.000 0.000 0.000 3/36000 800.0 0.487 0.446 0.539 0.000 0.000 0.000 3/36000 810.0 0.481 0.440 0.533 0.000 0.000 0.000 3/36000 820.0 0.475 0.435 0.526 0.000 0.000 0.000 3/36000 830.0 0.469 0.429 0.520 0.000 0.000 0.000 3/36000 840.0 0.463 0.424 0.513 0.000 0.000 0.000 3/36000 850.0 0.458 0.419 0.507 0.000 0.000 0.000 3/36000 860.0 0.452 0.414 0.501 0.000 0.000 0.000 3/36000 870.0 0.447 0.410 0.496 0.000 0.000 0.000 3/36000 880.0 0.442 0.405 0.490 0.000 0.000 0.000 3/36000 890.0 0.437 0.400 0.485 0.000 0.000 0.000 3/36000 900.0 0.432 0.396 0.479 0.000 0.000 0.000 3/36000 910.0 0.427 0.392 0.474 0.000 0.000 0.000 3/36000 920.0 0.423 0.387 0.469 0.000 0.000 0.000 3/36000 930.0 0.418 0.383 0.464 0.000 0.000 0.000 3/36000 940.0 0.414 0.379 0.459 0.000 0.000 0.000 3/36000 950.0 0.409 0.375 0.454 0.000 0.000 0.000 3/36000 960.0 0.405 0.371 0.449 0.000 0.000 0.000 3/36000 970.0 0.401 0.367 0.444 0.000 0.000 0.000 3/36000 980.0 0.397 0.364 0.440 0.000 0.000 0.000 3/36000 990.0 0.393 0.360 0.435 0.000 0.000 0.000 3/36000 1000.0 0.389 0.356 0.431 0.000 0.000 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:32:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|