----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:20:48]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.063543165476602 -2.839596804999999 0.000000000000000 b 6.063543165476602 2.839596804999999 0.000000000000000 c -2.139342630984047 0.000000000000000 6.750716747348346 Atomic positions (fractional): *1 O 0.64497619585935 0.09631253847274 0.37759169125222 15.999 2 O 0.90368746152726 0.35502380414064 0.12240830874778 15.999 3 O 0.35502380414065 0.90368746152726 0.62240830874778 15.999 4 O 0.09631253847274 0.64497619585935 0.87759169125222 15.999 *5 O 0.45449369509110 0.54550630490890 0.25000000000000 15.999 6 O 0.54550630490890 0.45449369509110 0.75000000000000 15.999 *7 O 0.09727770211752 0.64393863574012 0.48996755315714 15.999 8 O 0.35606136425988 0.90272229788248 0.01003244684286 15.999 9 O 0.90272229788248 0.35606136425988 0.51003244684286 15.999 10 O 0.64393863574012 0.09727770211752 0.98996755315714 15.999 *11 Se 0.26436236048053 0.45437507770365 0.67971714183717 78.960 12 Se 0.54562492229635 0.73563763951947 0.82028285816283 78.960 13 Se 0.45437507770365 0.26436236048053 0.17971714183717 78.960 14 Se 0.73563763951947 0.54562492229635 0.32028285816283 78.960 *15 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 16 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.127086330953205 0.000000000000000 0.000000000000000 b 0.000000000000000 5.679193609999999 0.000000000000000 c -2.139342630984047 0.000000000000000 6.750716747348346 Atomic positions (fractional): *1 O 0.37064436716605 0.72566817130669 0.37759169125222 15.999 > 1 2 O 0.12935563283395 0.22566817130669 0.12240830874778 15.999 > 2 3 O 0.12935563283395 0.77433182869331 0.62240830874778 15.999 > 3 4 O 0.37064436716605 0.27433182869331 0.87759169125222 15.999 > 4 *5 O 0.00000000000000 0.54550630490890 0.25000000000000 15.999 > 5 6 O 0.00000000000000 0.45449369509110 0.75000000000000 15.999 > 6 *7 O 0.37060816892882 0.27333046681130 0.48996755315714 15.999 > 7 8 O 0.12939183107118 0.77333046681130 0.01003244684286 15.999 > 8 9 O 0.12939183107118 0.22666953318870 0.51003244684286 15.999 > 9 10 O 0.37060816892882 0.72666953318870 0.98996755315714 15.999 > 10 11 O 0.87064436716605 0.22566817130669 0.37759169125222 15.999 > 1 12 O 0.62935563283395 0.72566817130669 0.12240830874778 15.999 > 2 13 O 0.62935563283395 0.27433182869331 0.62240830874778 15.999 > 3 14 O 0.87064436716605 0.77433182869331 0.87759169125222 15.999 > 4 15 O 0.50000000000000 0.04550630490890 0.25000000000000 15.999 > 5 16 O 0.50000000000000 0.95449369509110 0.75000000000000 15.999 > 6 17 O 0.87060816892882 0.77333046681130 0.48996755315714 15.999 > 7 18 O 0.62939183107118 0.27333046681130 0.01003244684286 15.999 > 8 19 O 0.62939183107118 0.72666953318870 0.51003244684286 15.999 > 9 20 O 0.87060816892882 0.22666953318870 0.98996755315714 15.999 > 10 *21 Se 0.35936871909209 0.09500635861156 0.67971714183717 78.960 > 11 22 Se 0.14063128090791 0.59500635861156 0.82028285816283 78.960 > 12 23 Se 0.35936871909209 0.90499364138844 0.17971714183717 78.960 > 13 24 Se 0.14063128090791 0.40499364138844 0.32028285816283 78.960 > 14 25 Se 0.85936871909209 0.59500635861156 0.67971714183717 78.960 > 11 26 Se 0.64063128090791 0.09500635861156 0.82028285816283 78.960 > 12 27 Se 0.85936871909209 0.40499364138844 0.17971714183717 78.960 > 13 28 Se 0.64063128090791 0.90499364138844 0.32028285816283 78.960 > 14 *29 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 15 30 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 16 31 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 15 32 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.127086330953205 0.000000000000000 0.000000000000000 b 0.000000000000000 11.358387219999997 0.000000000000000 c -4.278685261968094 0.000000000000000 13.501433494696691 Atomic positions (fractional): *1 O 0.37064436716605 0.36283408565335 0.18879584562611 15.999 > 1 2 O 0.37064436716605 0.86283408565335 0.18879584562611 15.999 > 1 3 O 0.37064436716605 0.36283408565335 0.68879584562611 15.999 > 1 4 O 0.37064436716605 0.86283408565335 0.68879584562611 15.999 > 1 5 O 0.12935563283395 0.11283408565335 0.06120415437389 15.999 > 2 6 O 0.12935563283395 0.61283408565335 0.06120415437389 15.999 > 2 7 O 0.12935563283395 0.11283408565335 0.56120415437389 15.999 > 2 8 O 0.12935563283395 0.61283408565335 0.56120415437389 15.999 > 2 9 O 0.12935563283395 0.38716591434665 0.31120415437389 15.999 > 3 10 O 0.12935563283395 0.88716591434665 0.31120415437389 15.999 > 3 11 O 0.12935563283395 0.38716591434665 0.81120415437389 15.999 > 3 12 O 0.12935563283395 0.88716591434665 0.81120415437389 15.999 > 3 13 O 0.37064436716605 0.13716591434665 0.43879584562611 15.999 > 4 14 O 0.37064436716605 0.63716591434665 0.43879584562611 15.999 > 4 15 O 0.37064436716605 0.13716591434665 0.93879584562611 15.999 > 4 16 O 0.37064436716605 0.63716591434665 0.93879584562611 15.999 > 4 *17 O 0.00000000000000 0.27275315245445 0.12500000000000 15.999 > 5 18 O 0.00000000000000 0.77275315245445 0.12500000000000 15.999 > 5 19 O 0.00000000000000 0.27275315245445 0.62500000000000 15.999 > 5 20 O 0.00000000000000 0.77275315245445 0.62500000000000 15.999 > 5 21 O 0.00000000000000 0.22724684754555 0.37500000000000 15.999 > 6 22 O 0.00000000000000 0.72724684754555 0.37500000000000 15.999 > 6 23 O 0.00000000000000 0.22724684754555 0.87500000000000 15.999 > 6 24 O 0.00000000000000 0.72724684754555 0.87500000000000 15.999 > 6 *25 O 0.37060816892882 0.13666523340565 0.24498377657857 15.999 > 7 26 O 0.37060816892882 0.63666523340565 0.24498377657857 15.999 > 7 27 O 0.37060816892882 0.13666523340565 0.74498377657857 15.999 > 7 28 O 0.37060816892882 0.63666523340565 0.74498377657857 15.999 > 7 29 O 0.12939183107118 0.38666523340565 0.00501622342143 15.999 > 8 30 O 0.12939183107118 0.88666523340565 0.00501622342143 15.999 > 8 31 O 0.12939183107118 0.38666523340565 0.50501622342143 15.999 > 8 32 O 0.12939183107118 0.88666523340565 0.50501622342143 15.999 > 8 33 O 0.12939183107118 0.11333476659435 0.25501622342143 15.999 > 9 34 O 0.12939183107118 0.61333476659435 0.25501622342143 15.999 > 9 35 O 0.12939183107118 0.11333476659435 0.75501622342143 15.999 > 9 36 O 0.12939183107118 0.61333476659435 0.75501622342143 15.999 > 9 37 O 0.37060816892882 0.36333476659435 0.49498377657857 15.999 > 10 38 O 0.37060816892882 0.86333476659435 0.49498377657857 15.999 > 10 39 O 0.37060816892882 0.36333476659435 0.99498377657857 15.999 > 10 40 O 0.37060816892882 0.86333476659435 0.99498377657857 15.999 > 10 41 O 0.87064436716605 0.11283408565335 0.18879584562611 15.999 > 1 42 O 0.87064436716605 0.61283408565335 0.18879584562611 15.999 > 1 43 O 0.87064436716605 0.11283408565335 0.68879584562611 15.999 > 1 44 O 0.87064436716605 0.61283408565335 0.68879584562611 15.999 > 1 45 O 0.62935563283395 0.36283408565335 0.06120415437389 15.999 > 2 46 O 0.62935563283395 0.86283408565335 0.06120415437389 15.999 > 2 47 O 0.62935563283395 0.36283408565335 0.56120415437389 15.999 > 2 48 O 0.62935563283395 0.86283408565335 0.56120415437389 15.999 > 2 49 O 0.62935563283395 0.13716591434665 0.31120415437389 15.999 > 3 50 O 0.62935563283395 0.63716591434665 0.31120415437389 15.999 > 3 51 O 0.62935563283395 0.13716591434665 0.81120415437389 15.999 > 3 52 O 0.62935563283395 0.63716591434665 0.81120415437389 15.999 > 3 53 O 0.87064436716605 0.38716591434665 0.43879584562611 15.999 > 4 54 O 0.87064436716605 0.88716591434665 0.43879584562611 15.999 > 4 55 O 0.87064436716605 0.38716591434665 0.93879584562611 15.999 > 4 56 O 0.87064436716605 0.88716591434665 0.93879584562611 15.999 > 4 57 O 0.50000000000000 0.02275315245445 0.12500000000000 15.999 > 5 58 O 0.50000000000000 0.52275315245445 0.12500000000000 15.999 > 5 59 O 0.50000000000000 0.02275315245445 0.62500000000000 15.999 > 5 60 O 0.50000000000000 0.52275315245445 0.62500000000000 15.999 > 5 61 O 0.50000000000000 0.47724684754555 0.37500000000000 15.999 > 6 62 O 0.50000000000000 0.97724684754555 0.37500000000000 15.999 > 6 63 O 0.50000000000000 0.47724684754555 0.87500000000000 15.999 > 6 64 O 0.50000000000000 0.97724684754555 0.87500000000000 15.999 > 6 65 O 0.87060816892882 0.38666523340565 0.24498377657857 15.999 > 7 66 O 0.87060816892882 0.88666523340565 0.24498377657857 15.999 > 7 67 O 0.87060816892882 0.38666523340565 0.74498377657857 15.999 > 7 68 O 0.87060816892882 0.88666523340565 0.74498377657857 15.999 > 7 69 O 0.62939183107118 0.13666523340565 0.00501622342143 15.999 > 8 70 O 0.62939183107118 0.63666523340565 0.00501622342143 15.999 > 8 71 O 0.62939183107118 0.13666523340565 0.50501622342143 15.999 > 8 72 O 0.62939183107118 0.63666523340565 0.50501622342143 15.999 > 8 73 O 0.62939183107118 0.36333476659435 0.25501622342143 15.999 > 9 74 O 0.62939183107118 0.86333476659435 0.25501622342143 15.999 > 9 75 O 0.62939183107118 0.36333476659435 0.75501622342143 15.999 > 9 76 O 0.62939183107118 0.86333476659435 0.75501622342143 15.999 > 9 77 O 0.87060816892882 0.11333476659435 0.49498377657857 15.999 > 10 78 O 0.87060816892882 0.61333476659435 0.49498377657857 15.999 > 10 79 O 0.87060816892882 0.11333476659435 0.99498377657857 15.999 > 10 80 O 0.87060816892882 0.61333476659435 0.99498377657857 15.999 > 10 *81 Se 0.35936871909209 0.04750317930578 0.33985857091859 78.960 > 11 82 Se 0.35936871909209 0.54750317930578 0.33985857091859 78.960 > 11 83 Se 0.35936871909209 0.04750317930578 0.83985857091859 78.960 > 11 84 Se 0.35936871909209 0.54750317930578 0.83985857091859 78.960 > 11 85 Se 0.14063128090791 0.29750317930578 0.41014142908141 78.960 > 12 86 Se 0.14063128090791 0.79750317930578 0.41014142908141 78.960 > 12 87 Se 0.14063128090791 0.29750317930578 0.91014142908141 78.960 > 12 88 Se 0.14063128090791 0.79750317930578 0.91014142908141 78.960 > 12 89 Se 0.35936871909209 0.45249682069422 0.08985857091859 78.960 > 13 90 Se 0.35936871909209 0.95249682069422 0.08985857091859 78.960 > 13 91 Se 0.35936871909209 0.45249682069422 0.58985857091859 78.960 > 13 92 Se 0.35936871909209 0.95249682069422 0.58985857091859 78.960 > 13 93 Se 0.14063128090791 0.20249682069422 0.16014142908141 78.960 > 14 94 Se 0.14063128090791 0.70249682069422 0.16014142908141 78.960 > 14 95 Se 0.14063128090791 0.20249682069422 0.66014142908141 78.960 > 14 96 Se 0.14063128090791 0.70249682069422 0.66014142908141 78.960 > 14 97 Se 0.85936871909209 0.29750317930578 0.33985857091859 78.960 > 11 98 Se 0.85936871909209 0.79750317930578 0.33985857091859 78.960 > 11 99 Se 0.85936871909209 0.29750317930578 0.83985857091859 78.960 > 11 100 Se 0.85936871909209 0.79750317930578 0.83985857091859 78.960 > 11 101 Se 0.64063128090791 0.04750317930578 0.41014142908141 78.960 > 12 102 Se 0.64063128090791 0.54750317930578 0.41014142908141 78.960 > 12 103 Se 0.64063128090791 0.04750317930578 0.91014142908141 78.960 > 12 104 Se 0.64063128090791 0.54750317930578 0.91014142908141 78.960 > 12 105 Se 0.85936871909209 0.20249682069422 0.08985857091859 78.960 > 13 106 Se 0.85936871909209 0.70249682069422 0.08985857091859 78.960 > 13 107 Se 0.85936871909209 0.20249682069422 0.58985857091859 78.960 > 13 108 Se 0.85936871909209 0.70249682069422 0.58985857091859 78.960 > 13 109 Se 0.64063128090791 0.45249682069422 0.16014142908141 78.960 > 14 110 Se 0.64063128090791 0.95249682069422 0.16014142908141 78.960 > 14 111 Se 0.64063128090791 0.45249682069422 0.66014142908141 78.960 > 14 112 Se 0.64063128090791 0.95249682069422 0.66014142908141 78.960 > 14 *113 Pd 0.00000000000000 0.00000000000000 0.25000000000000 106.420 > 15 114 Pd 0.00000000000000 0.50000000000000 0.25000000000000 106.420 > 15 115 Pd 0.00000000000000 0.00000000000000 0.75000000000000 106.420 > 15 116 Pd 0.00000000000000 0.50000000000000 0.75000000000000 106.420 > 15 117 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 16 118 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 16 119 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 16 120 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 16 121 Pd 0.50000000000000 0.25000000000000 0.25000000000000 106.420 > 15 122 Pd 0.50000000000000 0.75000000000000 0.25000000000000 106.420 > 15 123 Pd 0.50000000000000 0.25000000000000 0.75000000000000 106.420 > 15 124 Pd 0.50000000000000 0.75000000000000 0.75000000000000 106.420 > 15 125 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 16 126 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 16 127 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 16 128 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6375618 0.0000000 -0.0288276 0.0000000 4.8261358 0.0000000 -0.0288278 0.0000000 5.2903531 -------------------------- Born effective charges -------------------------- 1 O -0.6872987 -0.3751064 0.3590113 0.3165905 -1.4771824 0.4521536 -0.2303226 1.0758983 -2.0293363 2 O -0.6872987 0.3751064 0.3590113 -0.3165905 -1.4771824 -0.4521536 -0.2303226 -1.0758983 -2.0293363 3 O -0.6872987 -0.3751064 0.3590113 0.3165905 -1.4771824 0.4521536 -0.2303226 1.0758983 -2.0293363 4 O -0.6872987 0.3751064 0.3590113 -0.3165905 -1.4771824 -0.4521536 -0.2303226 -1.0758983 -2.0293363 5 O -2.7111497 0.0000000 -0.6105101 0.0000000 -0.9320557 0.0000000 -0.5752205 0.0000000 -1.1530927 6 O -2.7111497 0.0000000 -0.6105101 0.0000000 -0.9320557 0.0000000 -0.5752205 0.0000000 -1.1530927 7 O -1.4370704 -0.2212218 -0.0340445 -0.5582217 -1.3082522 0.0090587 0.7062362 1.0916217 -1.8096379 8 O -1.4370704 0.2212218 -0.0340445 0.5582217 -1.3082522 -0.0090587 0.7062362 -1.0916217 -1.8096379 9 O -1.4370704 -0.2212218 -0.0340445 -0.5582217 -1.3082522 0.0090587 0.7062362 1.0916217 -1.8096379 10 O -1.4370704 0.2212218 -0.0340445 0.5582217 -1.3082522 -0.0090587 0.7062362 -1.0916217 -1.8096379 11 Se 2.8927571 -1.0289178 -0.0872485 -0.6917707 2.2134045 -0.0366462 -0.2835549 -0.4123635 4.1559471 12 Se 2.8927571 1.0289178 -0.0872485 0.6917707 2.2134045 0.0366462 -0.2835549 0.4123635 4.1559471 13 Se 2.8927571 1.0289178 -0.0872485 0.6917707 2.2134045 0.0366462 -0.2835549 0.4123635 4.1559471 14 Se 2.8927571 -1.0289178 -0.0872485 -0.6917707 2.2134045 -0.0366462 -0.2835549 -0.4123635 4.1559471 15 Pd 1.1743735 0.5559284 0.1350735 0.1472990 2.0761159 -0.3459305 0.1905028 -0.9365763 0.5191466 16 Pd 1.1743735 -0.5559284 0.1350735 -0.1472990 2.0761159 0.3459305 0.1905028 0.9365763 0.5191466 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 11568/11568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2411 Number of blocks in projector: 2411 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: 518 Use submatrix version of eigh solver. (1) Block: 518 / 518 (2) Block: 250 / 518 (2) 241 eigenvectors found. (2) Block: 518 / 518 (2) 261 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 510 Use submatrix version of eigh solver. (1) Block: 510 / 510 (2) Block: 250 / 510 (2) 242 eigenvectors found. (2) Block: 510 / 510 (2) 252 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 502 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 510 Use submatrix version of eigh solver. (1) Block: 510 / 510 (2) Block: 250 / 510 (2) 242 eigenvectors found. (2) Block: 510 / 510 (2) 252 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 502 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 291 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 291 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 291 Use standard eigh solver. Tree of FC basis block matrices: - (2411, 2371), data: False |-- (291, 286), data: True |-- (291, 286), data: True |-- (291, 286), data: True |-- (510, 502), data: False |-- (510, 502), data: False |-- (510, 8), data: (510, 16) @ (16, 8) |-- (260, 252), data: True |-- (250, 242), data: True |-- (510, 502), data: False |-- (510, 502), data: False |-- (510, 8), data: (510, 16) @ (16, 8) |-- (260, 252), data: True |-- (250, 242), data: True |-- (518, 509), data: False |-- (518, 509), data: False |-- (518, 7), data: (518, 16) @ (16, 7) |-- (268, 261), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.723 Solver_block: 200 / 480 - Time: 0.695 Solver_block: 300 / 480 - Time: 0.694 Solver_block: 400 / 480 - Time: 0.688 Solver_block: 480 / 480 - Time: 0.595 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.480 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 11568/11568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2411 Number of blocks in projector: 2411 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: 518 Use submatrix version of eigh solver. (1) Block: 518 / 518 (2) Block: 250 / 518 (2) 241 eigenvectors found. (2) Block: 518 / 518 (2) 261 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 510 Use submatrix version of eigh solver. (1) Block: 510 / 510 (2) Block: 250 / 510 (2) 242 eigenvectors found. (2) Block: 510 / 510 (2) 252 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 502 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 510 Use submatrix version of eigh solver. (1) Block: 510 / 510 (2) Block: 250 / 510 (2) 242 eigenvectors found. (2) Block: 510 / 510 (2) 252 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 502 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 291 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 291 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 291 Use standard eigh solver. Tree of FC basis block matrices: - (2411, 2371), data: False |-- (291, 286), data: True |-- (291, 286), data: True |-- (291, 286), data: True |-- (510, 502), data: False |-- (510, 502), data: False |-- (510, 8), data: (510, 16) @ (16, 8) |-- (260, 252), data: True |-- (250, 242), data: True |-- (510, 502), data: False |-- (510, 502), data: False |-- (510, 8), data: (510, 16) @ (16, 8) |-- (260, 252), data: True |-- (250, 242), data: True |-- (518, 509), data: False |-- (518, 509), data: False |-- (518, 7), data: (518, 16) @ (16, 7) |-- (268, 261), data: True |-- (250, 241), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:21:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:21:12]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.063543165476602 -2.839596804999999 0.000000000000000 b 6.063543165476602 2.839596804999999 0.000000000000000 c -2.139342630984047 0.000000000000000 6.750716747348346 Atomic positions (fractional): 1 O 0.64497619585935 0.09631253847274 0.37759169125222 15.999 2 O 0.90368746152726 0.35502380414064 0.12240830874778 15.999 3 O 0.35502380414065 0.90368746152726 0.62240830874778 15.999 4 O 0.09631253847274 0.64497619585935 0.87759169125222 15.999 5 O 0.45449369509110 0.54550630490890 0.25000000000000 15.999 6 O 0.54550630490890 0.45449369509110 0.75000000000000 15.999 7 O 0.09727770211752 0.64393863574012 0.48996755315714 15.999 8 O 0.35606136425988 0.90272229788248 0.01003244684286 15.999 9 O 0.90272229788248 0.35606136425988 0.51003244684286 15.999 10 O 0.64393863574012 0.09727770211752 0.98996755315714 15.999 11 Se 0.26436236048053 0.45437507770365 0.67971714183717 78.960 12 Se 0.54562492229635 0.73563763951947 0.82028285816283 78.960 13 Se 0.45437507770365 0.26436236048053 0.17971714183717 78.960 14 Se 0.73563763951947 0.54562492229635 0.32028285816283 78.960 15 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 16 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.127086330953205 0.000000000000000 0.000000000000000 b 0.000000000000000 11.358387219999997 0.000000000000000 c -4.278685261968094 0.000000000000000 13.501433494696691 Atomic positions (fractional): 1 O 0.37064436716605 0.36283408565335 0.18879584562611 15.999 > 1 2 O 0.37064436716605 0.86283408565335 0.18879584562611 15.999 > 1 3 O 0.37064436716605 0.36283408565335 0.68879584562611 15.999 > 1 4 O 0.37064436716605 0.86283408565335 0.68879584562611 15.999 > 1 5 O 0.12935563283395 0.11283408565335 0.06120415437389 15.999 > 5 6 O 0.12935563283395 0.61283408565335 0.06120415437389 15.999 > 5 7 O 0.12935563283395 0.11283408565335 0.56120415437389 15.999 > 5 8 O 0.12935563283395 0.61283408565335 0.56120415437389 15.999 > 5 9 O 0.12935563283395 0.38716591434665 0.31120415437389 15.999 > 9 10 O 0.12935563283395 0.88716591434665 0.31120415437389 15.999 > 9 11 O 0.12935563283395 0.38716591434665 0.81120415437389 15.999 > 9 12 O 0.12935563283395 0.88716591434665 0.81120415437389 15.999 > 9 13 O 0.37064436716605 0.13716591434665 0.43879584562611 15.999 > 13 14 O 0.37064436716605 0.63716591434665 0.43879584562611 15.999 > 13 15 O 0.37064436716605 0.13716591434665 0.93879584562611 15.999 > 13 16 O 0.37064436716605 0.63716591434665 0.93879584562611 15.999 > 13 17 O 0.00000000000000 0.27275315245445 0.12500000000000 15.999 > 17 18 O 0.00000000000000 0.77275315245445 0.12500000000000 15.999 > 17 19 O 0.00000000000000 0.27275315245445 0.62500000000000 15.999 > 17 20 O 0.00000000000000 0.77275315245445 0.62500000000000 15.999 > 17 21 O 0.00000000000000 0.22724684754555 0.37500000000000 15.999 > 21 22 O 0.00000000000000 0.72724684754555 0.37500000000000 15.999 > 21 23 O 0.00000000000000 0.22724684754555 0.87500000000000 15.999 > 21 24 O 0.00000000000000 0.72724684754555 0.87500000000000 15.999 > 21 25 O 0.37060816892882 0.13666523340565 0.24498377657857 15.999 > 25 26 O 0.37060816892882 0.63666523340565 0.24498377657857 15.999 > 25 27 O 0.37060816892882 0.13666523340565 0.74498377657857 15.999 > 25 28 O 0.37060816892882 0.63666523340565 0.74498377657857 15.999 > 25 29 O 0.12939183107118 0.38666523340565 0.00501622342143 15.999 > 29 30 O 0.12939183107118 0.88666523340565 0.00501622342143 15.999 > 29 31 O 0.12939183107118 0.38666523340565 0.50501622342143 15.999 > 29 32 O 0.12939183107118 0.88666523340565 0.50501622342143 15.999 > 29 33 O 0.12939183107118 0.11333476659435 0.25501622342143 15.999 > 33 34 O 0.12939183107118 0.61333476659435 0.25501622342143 15.999 > 33 35 O 0.12939183107118 0.11333476659435 0.75501622342143 15.999 > 33 36 O 0.12939183107118 0.61333476659435 0.75501622342143 15.999 > 33 37 O 0.37060816892882 0.36333476659435 0.49498377657857 15.999 > 37 38 O 0.37060816892882 0.86333476659435 0.49498377657857 15.999 > 37 39 O 0.37060816892882 0.36333476659435 0.99498377657857 15.999 > 37 40 O 0.37060816892882 0.86333476659435 0.99498377657857 15.999 > 37 41 O 0.87064436716605 0.11283408565335 0.18879584562611 15.999 > 1 42 O 0.87064436716605 0.61283408565335 0.18879584562611 15.999 > 1 43 O 0.87064436716605 0.11283408565335 0.68879584562611 15.999 > 1 44 O 0.87064436716605 0.61283408565335 0.68879584562611 15.999 > 1 45 O 0.62935563283395 0.36283408565335 0.06120415437389 15.999 > 5 46 O 0.62935563283395 0.86283408565335 0.06120415437389 15.999 > 5 47 O 0.62935563283395 0.36283408565335 0.56120415437389 15.999 > 5 48 O 0.62935563283395 0.86283408565335 0.56120415437389 15.999 > 5 49 O 0.62935563283395 0.13716591434665 0.31120415437389 15.999 > 9 50 O 0.62935563283395 0.63716591434665 0.31120415437389 15.999 > 9 51 O 0.62935563283395 0.13716591434665 0.81120415437389 15.999 > 9 52 O 0.62935563283395 0.63716591434665 0.81120415437389 15.999 > 9 53 O 0.87064436716605 0.38716591434665 0.43879584562611 15.999 > 13 54 O 0.87064436716605 0.88716591434665 0.43879584562611 15.999 > 13 55 O 0.87064436716605 0.38716591434665 0.93879584562611 15.999 > 13 56 O 0.87064436716605 0.88716591434665 0.93879584562611 15.999 > 13 57 O 0.50000000000000 0.02275315245445 0.12500000000000 15.999 > 17 58 O 0.50000000000000 0.52275315245445 0.12500000000000 15.999 > 17 59 O 0.50000000000000 0.02275315245445 0.62500000000000 15.999 > 17 60 O 0.50000000000000 0.52275315245445 0.62500000000000 15.999 > 17 61 O 0.50000000000000 0.47724684754555 0.37500000000000 15.999 > 21 62 O 0.50000000000000 0.97724684754555 0.37500000000000 15.999 > 21 63 O 0.50000000000000 0.47724684754555 0.87500000000000 15.999 > 21 64 O 0.50000000000000 0.97724684754555 0.87500000000000 15.999 > 21 65 O 0.87060816892882 0.38666523340565 0.24498377657857 15.999 > 25 66 O 0.87060816892882 0.88666523340565 0.24498377657857 15.999 > 25 67 O 0.87060816892882 0.38666523340565 0.74498377657857 15.999 > 25 68 O 0.87060816892882 0.88666523340565 0.74498377657857 15.999 > 25 69 O 0.62939183107118 0.13666523340565 0.00501622342143 15.999 > 29 70 O 0.62939183107118 0.63666523340565 0.00501622342143 15.999 > 29 71 O 0.62939183107118 0.13666523340565 0.50501622342143 15.999 > 29 72 O 0.62939183107118 0.63666523340565 0.50501622342143 15.999 > 29 73 O 0.62939183107118 0.36333476659435 0.25501622342143 15.999 > 33 74 O 0.62939183107118 0.86333476659435 0.25501622342143 15.999 > 33 75 O 0.62939183107118 0.36333476659435 0.75501622342143 15.999 > 33 76 O 0.62939183107118 0.86333476659435 0.75501622342143 15.999 > 33 77 O 0.87060816892882 0.11333476659435 0.49498377657857 15.999 > 37 78 O 0.87060816892882 0.61333476659435 0.49498377657857 15.999 > 37 79 O 0.87060816892882 0.11333476659435 0.99498377657857 15.999 > 37 80 O 0.87060816892882 0.61333476659435 0.99498377657857 15.999 > 37 81 Se 0.35936871909209 0.04750317930578 0.33985857091859 78.960 > 81 82 Se 0.35936871909209 0.54750317930578 0.33985857091859 78.960 > 81 83 Se 0.35936871909209 0.04750317930578 0.83985857091859 78.960 > 81 84 Se 0.35936871909209 0.54750317930578 0.83985857091859 78.960 > 81 85 Se 0.14063128090791 0.29750317930578 0.41014142908141 78.960 > 85 86 Se 0.14063128090791 0.79750317930578 0.41014142908141 78.960 > 85 87 Se 0.14063128090791 0.29750317930578 0.91014142908141 78.960 > 85 88 Se 0.14063128090791 0.79750317930578 0.91014142908141 78.960 > 85 89 Se 0.35936871909209 0.45249682069422 0.08985857091859 78.960 > 89 90 Se 0.35936871909209 0.95249682069422 0.08985857091859 78.960 > 89 91 Se 0.35936871909209 0.45249682069422 0.58985857091859 78.960 > 89 92 Se 0.35936871909209 0.95249682069422 0.58985857091859 78.960 > 89 93 Se 0.14063128090791 0.20249682069422 0.16014142908141 78.960 > 93 94 Se 0.14063128090791 0.70249682069422 0.16014142908141 78.960 > 93 95 Se 0.14063128090791 0.20249682069422 0.66014142908141 78.960 > 93 96 Se 0.14063128090791 0.70249682069422 0.66014142908141 78.960 > 93 97 Se 0.85936871909209 0.29750317930578 0.33985857091859 78.960 > 81 98 Se 0.85936871909209 0.79750317930578 0.33985857091859 78.960 > 81 99 Se 0.85936871909209 0.29750317930578 0.83985857091859 78.960 > 81 100 Se 0.85936871909209 0.79750317930578 0.83985857091859 78.960 > 81 101 Se 0.64063128090791 0.04750317930578 0.41014142908141 78.960 > 85 102 Se 0.64063128090791 0.54750317930578 0.41014142908141 78.960 > 85 103 Se 0.64063128090791 0.04750317930578 0.91014142908141 78.960 > 85 104 Se 0.64063128090791 0.54750317930578 0.91014142908141 78.960 > 85 105 Se 0.85936871909209 0.20249682069422 0.08985857091859 78.960 > 89 106 Se 0.85936871909209 0.70249682069422 0.08985857091859 78.960 > 89 107 Se 0.85936871909209 0.20249682069422 0.58985857091859 78.960 > 89 108 Se 0.85936871909209 0.70249682069422 0.58985857091859 78.960 > 89 109 Se 0.64063128090791 0.45249682069422 0.16014142908141 78.960 > 93 110 Se 0.64063128090791 0.95249682069422 0.16014142908141 78.960 > 93 111 Se 0.64063128090791 0.45249682069422 0.66014142908141 78.960 > 93 112 Se 0.64063128090791 0.95249682069422 0.66014142908141 78.960 > 93 113 Pd 0.00000000000000 0.00000000000000 0.25000000000000 106.420 > 113 114 Pd 0.00000000000000 0.50000000000000 0.25000000000000 106.420 > 113 115 Pd 0.00000000000000 0.00000000000000 0.75000000000000 106.420 > 113 116 Pd 0.00000000000000 0.50000000000000 0.75000000000000 106.420 > 113 117 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 117 118 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 117 119 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 117 120 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 117 121 Pd 0.50000000000000 0.25000000000000 0.25000000000000 106.420 > 113 122 Pd 0.50000000000000 0.75000000000000 0.25000000000000 106.420 > 113 123 Pd 0.50000000000000 0.25000000000000 0.75000000000000 106.420 > 113 124 Pd 0.50000000000000 0.75000000000000 0.75000000000000 106.420 > 113 125 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 117 126 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 117 127 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 117 128 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6375618 0.0000000 -0.0288276 0.0000000 4.8261358 0.0000000 -0.0288278 0.0000000 5.2903531 -------------------------- Born effective charges -------------------------- 1 O -0.6872987 -0.3751064 0.3590113 0.3165905 -1.4771824 0.4521536 -0.2303226 1.0758983 -2.0293363 2 O -0.6872987 0.3751064 0.3590113 -0.3165905 -1.4771824 -0.4521536 -0.2303226 -1.0758983 -2.0293363 3 O -0.6872987 -0.3751064 0.3590113 0.3165905 -1.4771824 0.4521536 -0.2303226 1.0758983 -2.0293363 4 O -0.6872987 0.3751064 0.3590113 -0.3165905 -1.4771824 -0.4521536 -0.2303226 -1.0758983 -2.0293363 5 O -2.7111497 0.0000000 -0.6105101 0.0000000 -0.9320557 0.0000000 -0.5752205 0.0000000 -1.1530927 6 O -2.7111497 0.0000000 -0.6105101 0.0000000 -0.9320557 0.0000000 -0.5752205 0.0000000 -1.1530927 7 O -1.4370704 -0.2212218 -0.0340445 -0.5582217 -1.3082522 0.0090587 0.7062362 1.0916217 -1.8096379 8 O -1.4370704 0.2212218 -0.0340445 0.5582217 -1.3082522 -0.0090587 0.7062362 -1.0916217 -1.8096379 9 O -1.4370704 -0.2212218 -0.0340445 -0.5582217 -1.3082522 0.0090587 0.7062362 1.0916217 -1.8096379 10 O -1.4370704 0.2212218 -0.0340445 0.5582217 -1.3082522 -0.0090587 0.7062362 -1.0916217 -1.8096379 11 Se 2.8927571 -1.0289178 -0.0872485 -0.6917707 2.2134045 -0.0366462 -0.2835549 -0.4123635 4.1559471 12 Se 2.8927571 1.0289178 -0.0872485 0.6917707 2.2134045 0.0366462 -0.2835549 0.4123635 4.1559471 13 Se 2.8927571 1.0289178 -0.0872485 0.6917707 2.2134045 0.0366462 -0.2835549 0.4123635 4.1559471 14 Se 2.8927571 -1.0289178 -0.0872485 -0.6917707 2.2134045 -0.0366462 -0.2835549 -0.4123635 4.1559471 15 Pd 1.1743735 0.5559284 0.1350735 0.1472990 2.0761159 -0.3459305 0.1905028 -0.9365763 0.5191466 16 Pd 1.1743735 -0.5559284 0.1350735 -0.1472990 2.0761159 0.3459305 0.1905028 0.9365763 0.5191466 ---------------------------------------------------------------------------- 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 81, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 113, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000007 (zy) 0.00000007 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:21:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:21:34]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.063543165476602 -2.839596804999999 0.000000000000000 b 6.063543165476602 2.839596804999999 0.000000000000000 c -2.139342630984047 0.000000000000000 6.750716747348346 Atomic positions (fractional): 1 O 0.64497619585935 0.09631253847274 0.37759169125222 15.999 2 O 0.90368746152726 0.35502380414064 0.12240830874778 15.999 3 O 0.35502380414065 0.90368746152726 0.62240830874778 15.999 4 O 0.09631253847274 0.64497619585935 0.87759169125222 15.999 5 O 0.45449369509110 0.54550630490890 0.25000000000000 15.999 6 O 0.54550630490890 0.45449369509110 0.75000000000000 15.999 7 O 0.09727770211752 0.64393863574012 0.48996755315714 15.999 8 O 0.35606136425988 0.90272229788248 0.01003244684286 15.999 9 O 0.90272229788248 0.35606136425988 0.51003244684286 15.999 10 O 0.64393863574012 0.09727770211752 0.98996755315714 15.999 11 Se 0.26436236048053 0.45437507770365 0.67971714183717 78.960 12 Se 0.54562492229635 0.73563763951947 0.82028285816283 78.960 13 Se 0.45437507770365 0.26436236048053 0.17971714183717 78.960 14 Se 0.73563763951947 0.54562492229635 0.32028285816283 78.960 15 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 16 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.127086330953205 0.000000000000000 0.000000000000000 b 0.000000000000000 11.358387219999997 0.000000000000000 c -4.278685261968094 0.000000000000000 13.501433494696691 Atomic positions (fractional): 1 O 0.37064436716605 0.36283408565335 0.18879584562611 15.999 > 1 2 O 0.37064436716605 0.86283408565335 0.18879584562611 15.999 > 1 3 O 0.37064436716605 0.36283408565335 0.68879584562611 15.999 > 1 4 O 0.37064436716605 0.86283408565335 0.68879584562611 15.999 > 1 5 O 0.12935563283395 0.11283408565335 0.06120415437389 15.999 > 5 6 O 0.12935563283395 0.61283408565335 0.06120415437389 15.999 > 5 7 O 0.12935563283395 0.11283408565335 0.56120415437389 15.999 > 5 8 O 0.12935563283395 0.61283408565335 0.56120415437389 15.999 > 5 9 O 0.12935563283395 0.38716591434665 0.31120415437389 15.999 > 9 10 O 0.12935563283395 0.88716591434665 0.31120415437389 15.999 > 9 11 O 0.12935563283395 0.38716591434665 0.81120415437389 15.999 > 9 12 O 0.12935563283395 0.88716591434665 0.81120415437389 15.999 > 9 13 O 0.37064436716605 0.13716591434665 0.43879584562611 15.999 > 13 14 O 0.37064436716605 0.63716591434665 0.43879584562611 15.999 > 13 15 O 0.37064436716605 0.13716591434665 0.93879584562611 15.999 > 13 16 O 0.37064436716605 0.63716591434665 0.93879584562611 15.999 > 13 17 O 0.00000000000000 0.27275315245445 0.12500000000000 15.999 > 17 18 O 0.00000000000000 0.77275315245445 0.12500000000000 15.999 > 17 19 O 0.00000000000000 0.27275315245445 0.62500000000000 15.999 > 17 20 O 0.00000000000000 0.77275315245445 0.62500000000000 15.999 > 17 21 O 0.00000000000000 0.22724684754555 0.37500000000000 15.999 > 21 22 O 0.00000000000000 0.72724684754555 0.37500000000000 15.999 > 21 23 O 0.00000000000000 0.22724684754555 0.87500000000000 15.999 > 21 24 O 0.00000000000000 0.72724684754555 0.87500000000000 15.999 > 21 25 O 0.37060816892882 0.13666523340565 0.24498377657857 15.999 > 25 26 O 0.37060816892882 0.63666523340565 0.24498377657857 15.999 > 25 27 O 0.37060816892882 0.13666523340565 0.74498377657857 15.999 > 25 28 O 0.37060816892882 0.63666523340565 0.74498377657857 15.999 > 25 29 O 0.12939183107118 0.38666523340565 0.00501622342143 15.999 > 29 30 O 0.12939183107118 0.88666523340565 0.00501622342143 15.999 > 29 31 O 0.12939183107118 0.38666523340565 0.50501622342143 15.999 > 29 32 O 0.12939183107118 0.88666523340565 0.50501622342143 15.999 > 29 33 O 0.12939183107118 0.11333476659435 0.25501622342143 15.999 > 33 34 O 0.12939183107118 0.61333476659435 0.25501622342143 15.999 > 33 35 O 0.12939183107118 0.11333476659435 0.75501622342143 15.999 > 33 36 O 0.12939183107118 0.61333476659435 0.75501622342143 15.999 > 33 37 O 0.37060816892882 0.36333476659435 0.49498377657857 15.999 > 37 38 O 0.37060816892882 0.86333476659435 0.49498377657857 15.999 > 37 39 O 0.37060816892882 0.36333476659435 0.99498377657857 15.999 > 37 40 O 0.37060816892882 0.86333476659435 0.99498377657857 15.999 > 37 41 O 0.87064436716605 0.11283408565335 0.18879584562611 15.999 > 1 42 O 0.87064436716605 0.61283408565335 0.18879584562611 15.999 > 1 43 O 0.87064436716605 0.11283408565335 0.68879584562611 15.999 > 1 44 O 0.87064436716605 0.61283408565335 0.68879584562611 15.999 > 1 45 O 0.62935563283395 0.36283408565335 0.06120415437389 15.999 > 5 46 O 0.62935563283395 0.86283408565335 0.06120415437389 15.999 > 5 47 O 0.62935563283395 0.36283408565335 0.56120415437389 15.999 > 5 48 O 0.62935563283395 0.86283408565335 0.56120415437389 15.999 > 5 49 O 0.62935563283395 0.13716591434665 0.31120415437389 15.999 > 9 50 O 0.62935563283395 0.63716591434665 0.31120415437389 15.999 > 9 51 O 0.62935563283395 0.13716591434665 0.81120415437389 15.999 > 9 52 O 0.62935563283395 0.63716591434665 0.81120415437389 15.999 > 9 53 O 0.87064436716605 0.38716591434665 0.43879584562611 15.999 > 13 54 O 0.87064436716605 0.88716591434665 0.43879584562611 15.999 > 13 55 O 0.87064436716605 0.38716591434665 0.93879584562611 15.999 > 13 56 O 0.87064436716605 0.88716591434665 0.93879584562611 15.999 > 13 57 O 0.50000000000000 0.02275315245445 0.12500000000000 15.999 > 17 58 O 0.50000000000000 0.52275315245445 0.12500000000000 15.999 > 17 59 O 0.50000000000000 0.02275315245445 0.62500000000000 15.999 > 17 60 O 0.50000000000000 0.52275315245445 0.62500000000000 15.999 > 17 61 O 0.50000000000000 0.47724684754555 0.37500000000000 15.999 > 21 62 O 0.50000000000000 0.97724684754555 0.37500000000000 15.999 > 21 63 O 0.50000000000000 0.47724684754555 0.87500000000000 15.999 > 21 64 O 0.50000000000000 0.97724684754555 0.87500000000000 15.999 > 21 65 O 0.87060816892882 0.38666523340565 0.24498377657857 15.999 > 25 66 O 0.87060816892882 0.88666523340565 0.24498377657857 15.999 > 25 67 O 0.87060816892882 0.38666523340565 0.74498377657857 15.999 > 25 68 O 0.87060816892882 0.88666523340565 0.74498377657857 15.999 > 25 69 O 0.62939183107118 0.13666523340565 0.00501622342143 15.999 > 29 70 O 0.62939183107118 0.63666523340565 0.00501622342143 15.999 > 29 71 O 0.62939183107118 0.13666523340565 0.50501622342143 15.999 > 29 72 O 0.62939183107118 0.63666523340565 0.50501622342143 15.999 > 29 73 O 0.62939183107118 0.36333476659435 0.25501622342143 15.999 > 33 74 O 0.62939183107118 0.86333476659435 0.25501622342143 15.999 > 33 75 O 0.62939183107118 0.36333476659435 0.75501622342143 15.999 > 33 76 O 0.62939183107118 0.86333476659435 0.75501622342143 15.999 > 33 77 O 0.87060816892882 0.11333476659435 0.49498377657857 15.999 > 37 78 O 0.87060816892882 0.61333476659435 0.49498377657857 15.999 > 37 79 O 0.87060816892882 0.11333476659435 0.99498377657857 15.999 > 37 80 O 0.87060816892882 0.61333476659435 0.99498377657857 15.999 > 37 81 Se 0.35936871909209 0.04750317930578 0.33985857091859 78.960 > 81 82 Se 0.35936871909209 0.54750317930578 0.33985857091859 78.960 > 81 83 Se 0.35936871909209 0.04750317930578 0.83985857091859 78.960 > 81 84 Se 0.35936871909209 0.54750317930578 0.83985857091859 78.960 > 81 85 Se 0.14063128090791 0.29750317930578 0.41014142908141 78.960 > 85 86 Se 0.14063128090791 0.79750317930578 0.41014142908141 78.960 > 85 87 Se 0.14063128090791 0.29750317930578 0.91014142908141 78.960 > 85 88 Se 0.14063128090791 0.79750317930578 0.91014142908141 78.960 > 85 89 Se 0.35936871909209 0.45249682069422 0.08985857091859 78.960 > 89 90 Se 0.35936871909209 0.95249682069422 0.08985857091859 78.960 > 89 91 Se 0.35936871909209 0.45249682069422 0.58985857091859 78.960 > 89 92 Se 0.35936871909209 0.95249682069422 0.58985857091859 78.960 > 89 93 Se 0.14063128090791 0.20249682069422 0.16014142908141 78.960 > 93 94 Se 0.14063128090791 0.70249682069422 0.16014142908141 78.960 > 93 95 Se 0.14063128090791 0.20249682069422 0.66014142908141 78.960 > 93 96 Se 0.14063128090791 0.70249682069422 0.66014142908141 78.960 > 93 97 Se 0.85936871909209 0.29750317930578 0.33985857091859 78.960 > 81 98 Se 0.85936871909209 0.79750317930578 0.33985857091859 78.960 > 81 99 Se 0.85936871909209 0.29750317930578 0.83985857091859 78.960 > 81 100 Se 0.85936871909209 0.79750317930578 0.83985857091859 78.960 > 81 101 Se 0.64063128090791 0.04750317930578 0.41014142908141 78.960 > 85 102 Se 0.64063128090791 0.54750317930578 0.41014142908141 78.960 > 85 103 Se 0.64063128090791 0.04750317930578 0.91014142908141 78.960 > 85 104 Se 0.64063128090791 0.54750317930578 0.91014142908141 78.960 > 85 105 Se 0.85936871909209 0.20249682069422 0.08985857091859 78.960 > 89 106 Se 0.85936871909209 0.70249682069422 0.08985857091859 78.960 > 89 107 Se 0.85936871909209 0.20249682069422 0.58985857091859 78.960 > 89 108 Se 0.85936871909209 0.70249682069422 0.58985857091859 78.960 > 89 109 Se 0.64063128090791 0.45249682069422 0.16014142908141 78.960 > 93 110 Se 0.64063128090791 0.95249682069422 0.16014142908141 78.960 > 93 111 Se 0.64063128090791 0.45249682069422 0.66014142908141 78.960 > 93 112 Se 0.64063128090791 0.95249682069422 0.66014142908141 78.960 > 93 113 Pd 0.00000000000000 0.00000000000000 0.25000000000000 106.420 > 113 114 Pd 0.00000000000000 0.50000000000000 0.25000000000000 106.420 > 113 115 Pd 0.00000000000000 0.00000000000000 0.75000000000000 106.420 > 113 116 Pd 0.00000000000000 0.50000000000000 0.75000000000000 106.420 > 113 117 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 117 118 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 117 119 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 117 120 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 117 121 Pd 0.50000000000000 0.25000000000000 0.25000000000000 106.420 > 113 122 Pd 0.50000000000000 0.75000000000000 0.25000000000000 106.420 > 113 123 Pd 0.50000000000000 0.25000000000000 0.75000000000000 106.420 > 113 124 Pd 0.50000000000000 0.75000000000000 0.75000000000000 106.420 > 113 125 Pd 0.50000000000000 0.25000000000000 0.00000000000000 106.420 > 117 126 Pd 0.50000000000000 0.75000000000000 0.00000000000000 106.420 > 117 127 Pd 0.50000000000000 0.25000000000000 0.50000000000000 106.420 > 117 128 Pd 0.50000000000000 0.75000000000000 0.50000000000000 106.420 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6375618 0.0000000 -0.0288276 0.0000000 4.8261358 0.0000000 -0.0288278 0.0000000 5.2903531 -------------------------- Born effective charges -------------------------- 1 O -0.6872987 -0.3751064 0.3590113 0.3165905 -1.4771824 0.4521536 -0.2303226 1.0758983 -2.0293363 2 O -0.6872987 0.3751064 0.3590113 -0.3165905 -1.4771824 -0.4521536 -0.2303226 -1.0758983 -2.0293363 3 O -0.6872987 -0.3751064 0.3590113 0.3165905 -1.4771824 0.4521536 -0.2303226 1.0758983 -2.0293363 4 O -0.6872987 0.3751064 0.3590113 -0.3165905 -1.4771824 -0.4521536 -0.2303226 -1.0758983 -2.0293363 5 O -2.7111497 0.0000000 -0.6105101 0.0000000 -0.9320557 0.0000000 -0.5752205 0.0000000 -1.1530927 6 O -2.7111497 0.0000000 -0.6105101 0.0000000 -0.9320557 0.0000000 -0.5752205 0.0000000 -1.1530927 7 O -1.4370704 -0.2212218 -0.0340445 -0.5582217 -1.3082522 0.0090587 0.7062362 1.0916217 -1.8096379 8 O -1.4370704 0.2212218 -0.0340445 0.5582217 -1.3082522 -0.0090587 0.7062362 -1.0916217 -1.8096379 9 O -1.4370704 -0.2212218 -0.0340445 -0.5582217 -1.3082522 0.0090587 0.7062362 1.0916217 -1.8096379 10 O -1.4370704 0.2212218 -0.0340445 0.5582217 -1.3082522 -0.0090587 0.7062362 -1.0916217 -1.8096379 11 Se 2.8927571 -1.0289178 -0.0872485 -0.6917707 2.2134045 -0.0366462 -0.2835549 -0.4123635 4.1559471 12 Se 2.8927571 1.0289178 -0.0872485 0.6917707 2.2134045 0.0366462 -0.2835549 0.4123635 4.1559471 13 Se 2.8927571 1.0289178 -0.0872485 0.6917707 2.2134045 0.0366462 -0.2835549 0.4123635 4.1559471 14 Se 2.8927571 -1.0289178 -0.0872485 -0.6917707 2.2134045 -0.0366462 -0.2835549 -0.4123635 4.1559471 15 Pd 1.1743735 0.5559284 0.1350735 0.1472990 2.0761159 -0.3459305 0.1905028 -0.9365763 0.5191466 16 Pd 1.1743735 -0.5559284 0.1350735 -0.1472990 2.0761159 0.3459305 0.1905028 0.9365763 0.5191466 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 7 ] 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: 0.68, Number of G-points: 299, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/196) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 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 2.036 ( 0.000 0.000 0.000) 0.000 2.677 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 4.204 ( 0.000 0.000 0.000) 0.000 4.271 ( 0.000 0.000 0.000) 0.000 4.511 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.619 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 0.000) 0.000 5.997 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 0.000) 0.000 8.363 ( 0.000 0.000 0.000) 0.000 8.437 ( 0.000 0.000 0.000) 0.000 8.979 ( 0.000 0.000 0.000) 0.000 9.658 ( 0.000 0.000 0.000) 0.000 9.874 ( 0.000 0.000 0.000) 0.000 10.011 ( 0.000 0.000 0.000) 0.000 10.025 ( 0.000 0.000 0.000) 0.000 10.256 ( 0.000 0.000 0.000) 0.000 11.303 ( 0.000 0.000 0.000) 0.000 12.550 ( 0.000 0.000 0.000) 0.000 12.665 ( 0.000 0.000 0.000) 0.000 12.879 ( 0.000 0.000 0.000) 0.000 13.213 ( 0.000 0.000 0.000) 0.000 13.229 ( 0.000 0.000 0.000) 0.000 14.011 ( 0.000 0.000 0.000) 0.000 15.107 ( 0.000 0.000 0.000) 0.000 15.176 ( 0.000 0.000 0.000) 0.000 15.284 ( 0.000 0.000 0.000) 0.000 16.427 ( 0.000 0.000 0.000) 0.000 16.862 ( 0.000 0.000 0.000) 0.000 20.432 ( 0.000 0.000 0.000) 0.000 21.164 ( 0.000 0.000 0.000) 0.000 21.299 ( 0.000 0.000 0.000) 0.000 22.447 ( 0.000 0.000 0.000) 0.000 23.120 ( 0.000 0.000 0.000) 0.000 23.168 ( 0.000 0.000 0.000) 0.000 23.319 ( 0.000 0.000 0.000) 0.000 23.876 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/196) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 5.790 -20.947 -1.093) 21.760 0.438 ( 4.964 -20.839 7.002) 22.537 0.569 ( 12.763 -24.899 0.721) 27.989 2.017 ( 0.423 2.490 0.725) 2.628 2.561 ( 1.258 12.193 -2.894) 12.595 2.661 ( -1.788 1.072 1.997) 2.886 2.959 ( 0.656 -2.083 -1.572) 2.690 3.042 ( -0.628 0.106 -0.890) 1.095 3.257 ( 11.185 -4.351 6.564) 13.679 3.350 ( -0.311 1.133 0.148) 1.184 4.180 ( -0.374 1.993 -0.220) 2.040 4.264 ( -0.438 0.610 0.041) 0.752 4.514 ( 0.682 0.017 0.028) 0.682 5.607 ( -3.033 -1.138 -0.788) 3.333 5.694 ( -0.905 -9.667 -0.384) 9.717 5.780 ( 1.583 2.517 0.757) 3.068 6.025 ( 1.149 -1.614 -0.827) 2.147 6.095 ( 0.054 2.593 2.196) 3.398 7.161 ( 2.593 1.676 1.024) 3.253 7.492 ( 4.677 -2.036 1.704) 5.378 8.311 ( 0.640 5.607 -8.157) 9.919 8.458 ( -1.727 -1.194 8.245) 8.508 8.999 ( -0.996 0.715 -0.780) 1.453 9.588 ( -0.070 13.945 4.197) 14.563 9.824 ( 1.298 8.274 -1.824) 8.572 9.865 ( 4.816 6.798 2.081) 8.587 10.433 ( -12.322 -13.659 2.422) 18.554 10.560 ( 4.251 -14.421 -4.780) 15.776 11.292 ( -0.478 1.013 0.201) 1.138 12.550 ( 0.291 0.359 0.437) 0.636 12.682 ( 4.333 2.302 -1.018) 5.011 12.896 ( -1.879 -2.724 0.885) 3.425 13.153 ( 0.987 5.050 0.227) 5.151 13.266 ( -0.541 -1.662 -0.382) 1.789 14.035 ( 0.062 -1.837 -1.945) 2.676 15.116 ( -0.147 -1.059 -0.105) 1.075 15.225 ( -3.692 -0.583 -1.833) 4.163 15.629 ( 10.322 6.691 5.149) 13.335 16.627 ( 29.554 16.581 13.695) 36.550 16.886 ( 4.805 -0.554 1.466) 5.054 20.469 ( 1.428 -3.935 -3.592) 5.516 21.096 ( -0.521 5.560 0.252) 5.590 21.360 ( -0.659 -5.269 -0.364) 5.322 22.438 ( 3.020 2.668 1.672) 4.363 23.168 ( -0.627 -0.705 -0.772) 1.219 23.276 ( -0.731 3.957 -1.206) 4.201 23.839 ( -5.641 1.273 2.632) 6.353 23.922 ( -12.796 -10.474 -3.705) 16.946 ======================= Grid point 2 (3/196) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 5.831 -20.102 -0.802) 20.946 0.843 ( 3.584 -18.813 7.627) 20.614 1.069 ( 10.917 -20.118 0.004) 22.889 1.969 ( 0.144 2.853 -1.566) 3.257 2.328 ( 2.091 13.558 -3.973) 14.282 2.636 ( -0.960 1.024 1.920) 2.378 2.973 ( -2.465 -0.100 -3.922) 4.633 3.049 ( 0.691 -0.540 -0.424) 0.974 3.324 ( -0.424 1.208 0.010) 1.280 3.434 ( 7.880 -4.652 4.641) 10.260 4.163 ( -0.932 -1.788 -0.020) 2.017 4.242 ( -0.274 1.466 -0.130) 1.497 4.522 ( 0.896 -0.215 -0.169) 0.937 5.593 ( -4.050 -1.032 -1.059) 4.311 5.740 ( 1.557 3.637 1.079) 4.100 5.925 ( -1.107 -16.048 -0.903) 16.111 5.965 ( 0.758 7.069 0.926) 7.170 6.135 ( 0.206 -5.120 0.404) 5.141 7.166 ( -1.874 -2.064 -1.124) 3.006 7.594 ( 6.105 -3.644 2.222) 7.449 8.150 ( 1.385 11.540 -5.392) 12.813 8.482 ( -2.951 -1.519 5.376) 6.318 8.965 ( -0.079 2.538 -0.217) 2.549 9.295 ( -2.118 16.463 0.537) 16.607 9.702 ( 0.184 5.655 -2.392) 6.143 9.814 ( 3.148 4.685 3.456) 6.618 10.570 ( -5.122 -10.575 0.046) 11.750 10.859 ( 1.617 -15.694 -0.420) 15.782 11.262 ( -0.904 1.684 0.228) 1.925 12.536 ( 0.681 1.989 0.588) 2.183 12.674 ( 2.075 1.373 -0.655) 2.573 12.946 ( -3.001 -4.092 1.621) 5.327 13.073 ( 1.779 4.356 0.244) 4.711 13.276 ( -0.554 -0.202 -0.485) 0.763 14.072 ( 0.614 -2.601 -2.914) 3.954 15.138 ( -0.388 -1.530 -0.371) 1.622 15.188 ( 0.430 2.778 -0.136) 2.815 15.603 ( 4.190 4.114 2.282) 6.300 16.595 ( 8.978 7.651 3.639) 12.345 16.973 ( 4.886 -4.239 0.961) 6.539 20.568 ( 0.483 -6.713 -1.125) 6.823 20.991 ( -0.899 5.351 0.162) 5.429 21.444 ( -0.861 -4.938 -0.377) 5.027 22.415 ( 4.543 4.163 3.668) 7.171 23.166 ( -1.347 2.716 0.658) 3.103 23.190 ( 1.192 2.057 -3.718) 4.413 23.752 ( -5.677 3.836 1.448) 7.003 24.004 ( -4.786 -7.434 -1.390) 8.950 ======================= Grid point 3 (4/196) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 1.329 -16.187 7.667) 17.960 1.211 ( 6.036 -17.580 -0.492) 18.594 1.441 ( 8.232 -12.814 0.162) 15.231 1.914 ( -1.478 2.114 -2.972) 3.936 2.122 ( 3.006 10.449 -5.599) 12.229 2.618 ( -0.388 1.214 2.821) 3.095 2.919 ( -2.274 2.431 -4.460) 5.566 3.026 ( 0.394 3.418 -0.868) 3.548 3.308 ( -0.632 0.035 0.573) 0.853 3.568 ( 6.403 -2.577 2.978) 7.517 4.186 ( -1.516 1.452 1.043) 2.343 4.279 ( -0.071 -9.489 -1.016) 9.544 4.535 ( 0.824 -0.566 -0.266) 1.034 5.575 ( -2.389 -0.270 -0.506) 2.457 5.678 ( -0.122 5.273 1.263) 5.424 5.794 ( 0.646 10.122 -0.053) 10.143 6.228 ( 0.343 -5.640 -0.468) 5.669 6.268 ( -1.387 -20.923 0.327) 20.971 7.195 ( -2.072 -3.273 -1.614) 4.197 7.721 ( 5.579 -4.329 1.949) 7.326 7.903 ( 1.678 16.536 -2.678) 16.836 8.485 ( -3.521 -0.660 2.322) 4.269 8.909 ( -0.216 3.573 0.421) 3.604 9.023 ( -1.621 12.038 -0.117) 12.147 9.610 ( -0.683 3.822 -1.861) 4.306 9.768 ( 2.104 3.771 2.626) 5.054 10.718 ( -1.859 -9.030 0.101) 9.220 11.114 ( 0.538 -11.786 -0.050) 11.798 11.223 ( -1.232 1.570 0.250) 2.011 12.497 ( 0.855 3.039 0.477) 3.193 12.664 ( 0.927 0.944 -0.161) 1.333 12.931 ( -0.493 3.888 0.882) 4.018 13.097 ( -0.338 -5.305 1.044) 5.417 13.265 ( -0.600 0.566 -0.498) 0.964 14.115 ( 0.693 -2.399 -2.923) 3.844 15.125 ( 0.983 3.354 -0.230) 3.503 15.173 ( 0.349 -1.030 0.229) 1.111 15.567 ( 1.637 3.041 1.092) 3.622 16.534 ( 4.010 5.717 1.116) 7.072 17.102 ( 2.582 -6.193 -0.202) 6.713 20.691 ( -0.303 -6.813 -0.167) 6.822 20.903 ( -0.629 3.687 -0.212) 3.747 21.513 ( -0.761 -3.650 -0.286) 3.740 22.390 ( 4.182 3.949 5.162) 7.729 23.069 ( -0.668 4.979 -1.441) 5.226 23.205 ( 2.895 -0.840 -2.460) 3.891 23.625 ( -6.672 4.756 0.730) 8.226 24.086 ( -2.014 -5.179 -0.595) 5.588 ======================= Grid point 4 (5/196) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -0.483 -11.911 8.351) 14.555 1.520 ( 4.938 -11.776 -4.316) 13.479 1.660 ( 5.399 -5.691 4.802) 9.198 1.849 ( -2.247 2.670 -4.563) 5.744 1.984 ( 1.697 5.821 -5.802) 8.392 2.595 ( -0.423 1.832 2.042) 2.776 2.836 ( -0.499 3.916 -2.333) 4.585 2.964 ( -0.346 2.519 -1.091) 2.767 3.314 ( -0.358 -0.889 0.275) 0.997 3.644 ( 3.648 -0.750 1.461) 4.001 4.143 ( -0.564 2.003 0.577) 2.159 4.486 ( -0.635 -10.986 -0.757) 11.031 4.560 ( 0.479 -3.086 -0.004) 3.123 5.490 ( 0.429 11.656 0.787) 11.690 5.590 ( -1.112 -0.130 0.818) 1.386 5.683 ( -0.293 3.214 -0.872) 3.343 6.302 ( 0.186 -2.847 0.087) 2.855 6.643 ( -1.368 -21.346 -0.265) 21.391 7.230 ( -1.133 -2.345 -1.230) 2.880 7.597 ( 1.534 18.390 -0.848) 18.473 7.834 ( 3.490 -3.227 1.191) 4.900 8.463 ( -2.579 0.407 0.593) 2.678 8.846 ( -0.824 3.123 2.133) 3.871 8.857 ( -0.325 5.483 -1.871) 5.802 9.551 ( -0.505 1.811 -0.977) 2.119 9.733 ( 1.051 2.162 1.414) 2.789 10.843 ( -0.266 -5.733 0.259) 5.745 11.177 ( -0.879 1.367 -0.475) 1.694 11.289 ( -0.094 -6.538 0.467) 6.555 12.455 ( 0.602 2.324 0.270) 2.416 12.656 ( 0.293 0.508 0.131) 0.601 12.863 ( 0.261 3.198 0.308) 3.223 13.191 ( -0.711 -4.665 0.858) 4.797 13.249 ( -0.306 0.610 -0.301) 0.746 14.147 ( 0.450 -1.354 -1.862) 2.346 15.077 ( 1.160 2.665 0.142) 2.910 15.195 ( 0.010 -1.005 -0.024) 1.005 15.533 ( 0.385 1.871 0.421) 1.956 16.478 ( 1.837 3.310 0.310) 3.799 17.213 ( 0.936 -4.295 -0.487) 4.423 20.771 ( -1.150 -2.067 0.643) 2.451 20.868 ( 0.404 -0.453 -0.911) 1.095 21.557 ( -0.448 -1.922 -0.141) 1.979 22.374 ( 2.429 2.297 4.194) 5.363 22.989 ( -0.200 3.028 -1.343) 3.319 23.250 ( 4.641 -1.447 -2.032) 5.268 23.489 ( -6.782 4.155 0.566) 7.974 24.144 ( -0.743 -2.684 -0.241) 2.795 ======================= Grid point 5 (6/196) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 0.000 -0.000 0.000) 0.000 1.636 ( 0.000 -0.000 0.000) 0.000 1.763 ( -0.000 0.000 -0.000) 0.000 1.784 ( 0.000 -0.000 0.000) 0.000 1.919 ( 0.000 -0.000 0.000) 0.000 2.572 ( 0.000 -0.000 0.000) 0.000 2.793 ( 0.000 -0.000 -0.000) 0.000 2.938 ( 0.000 -0.000 0.000) 0.000 3.323 ( 0.000 -0.000 -0.000) 0.000 3.667 ( 0.000 -0.000 0.000) 0.000 4.122 ( -0.000 -0.000 0.000) 0.000 4.541 ( 0.000 -0.000 -0.000) 0.000 4.659 ( 0.000 -0.000 0.000) 0.000 5.355 ( 0.000 -0.000 -0.000) 0.000 5.599 ( 0.000 -0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 6.329 ( 0.000 -0.000 -0.000) 0.000 6.886 ( 0.000 0.000 0.000) 0.000 7.245 ( 0.000 -0.000 0.000) 0.000 7.380 ( 0.000 -0.000 0.000) 0.000 7.882 ( 0.000 -0.000 0.000) 0.000 8.446 ( 0.000 -0.000 0.000) 0.000 8.805 ( 0.000 -0.000 -0.000) 0.000 8.817 ( 0.000 -0.000 0.000) 0.000 9.532 ( 0.000 -0.000 0.000) 0.000 9.720 ( 0.000 -0.000 0.000) 0.000 10.897 ( 0.000 -0.000 0.000) 0.000 11.157 ( 0.000 -0.000 0.000) 0.000 11.349 ( 0.000 -0.000 -0.000) 0.000 12.436 ( 0.000 -0.000 0.000) 0.000 12.653 ( 0.000 -0.000 0.000) 0.000 12.835 ( 0.000 -0.000 -0.000) 0.000 13.233 ( -0.000 -0.000 -0.000) 0.000 13.241 ( 0.000 0.000 0.000) 0.000 14.159 ( 0.000 -0.000 0.000) 0.000 15.058 ( 0.000 -0.000 0.000) 0.000 15.204 ( 0.000 -0.000 0.000) 0.000 15.517 ( 0.000 -0.000 0.000) 0.000 16.456 ( 0.000 -0.000 0.000) 0.000 17.255 ( 0.000 -0.000 0.000) 0.000 20.775 ( 0.000 -0.000 -0.000) 0.000 20.884 ( 0.000 -0.000 -0.000) 0.000 21.572 ( 0.000 -0.000 0.000) 0.000 22.370 ( 0.000 -0.000 0.000) 0.000 22.959 ( 0.000 -0.000 0.000) 0.000 23.299 ( 0.000 -0.000 -0.000) 0.000 23.404 ( 0.000 -0.000 0.000) 0.000 24.165 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/196) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.296 ( 15.131 -0.000 7.456) 16.869 0.319 ( 18.498 -0.000 2.653) 18.687 0.499 ( 27.414 -0.000 5.694) 27.999 2.051 ( 0.681 -0.000 1.311) 1.478 2.629 ( -0.688 0.000 -10.314) 10.337 2.684 ( -4.402 0.000 8.626) 9.685 2.975 ( 3.891 -0.000 -6.037) 7.183 3.017 ( -3.487 0.000 -1.050) 3.642 3.356 ( -0.121 0.000 0.549) 0.562 3.372 ( 1.979 -0.000 6.978) 7.253 4.196 ( -0.772 0.000 -0.410) 0.874 4.263 ( -0.994 0.000 0.039) 0.994 4.524 ( 1.337 -0.000 0.072) 1.339 5.574 ( -4.142 0.000 -1.038) 4.270 5.584 ( -1.218 0.000 -0.960) 1.551 5.816 ( 1.362 -0.000 0.851) 1.606 6.007 ( 1.214 -0.000 -0.647) 1.376 6.137 ( -1.563 0.000 2.660) 3.085 7.244 ( -6.550 0.000 -2.159) 6.896 7.542 ( 7.257 -0.000 2.573) 7.700 8.326 ( 1.695 -0.000 -15.540) 15.632 8.466 ( -2.889 0.000 15.924) 16.184 8.989 ( 1.328 -0.000 -0.029) 1.328 9.882 ( -0.630 0.000 4.954) 4.994 9.917 ( -4.559 0.000 16.963) 17.565 9.947 ( -5.226 0.000 -3.588) 6.340 10.226 ( 3.662 -0.000 -15.564) 15.989 10.287 ( 1.937 -0.000 1.958) 2.755 11.296 ( -0.911 0.000 0.429) 1.007 12.556 ( 0.484 -0.000 0.708) 0.858 12.754 ( 1.521 -0.000 -4.753) 4.991 12.833 ( -5.474 0.000 0.473) 5.495 13.242 ( 3.089 -0.000 0.842) 3.202 13.243 ( 1.463 -0.000 0.312) 1.496 14.015 ( 1.573 -0.000 -3.536) 3.870 15.104 ( -0.232 0.000 -0.146) 0.274 15.187 ( 1.070 -0.000 0.901) 1.399 15.758 ( -0.238 0.000 0.766) 0.802 16.807 ( -5.151 0.000 -4.009) 6.527 17.727 ( -2.795 0.000 13.807) 14.087 20.440 ( 5.447 -0.000 -16.204) 17.095 21.160 ( -0.768 0.000 1.011) 1.270 21.282 ( -1.713 0.000 -0.670) 1.839 22.505 ( 5.708 -0.000 3.245) 6.566 23.121 ( 0.065 -0.000 0.161) 0.174 23.275 ( -3.780 0.000 -1.002) 3.910 23.470 ( -0.246 0.000 12.773) 12.775 23.850 ( -3.007 0.000 -0.196) 3.014 ======================= Grid point 13 (8/196) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 12.382 -14.245 0.810) 18.891 0.621 ( 11.506 -13.757 6.859) 19.202 0.882 ( 20.432 -14.797 3.793) 25.510 2.027 ( 0.884 3.343 -1.477) 3.760 2.555 ( 0.035 10.334 -4.299) 11.193 2.621 ( -3.334 -1.259 -0.540) 3.604 2.941 ( -2.100 0.946 -2.174) 3.167 3.027 ( 1.174 -1.596 -3.967) 4.435 3.344 ( -0.563 1.307 0.656) 1.567 3.447 ( 7.029 -3.321 6.259) 9.981 4.167 ( -0.953 1.904 -0.212) 2.140 4.250 ( -1.262 0.329 -0.058) 1.305 4.532 ( 1.426 0.298 -0.244) 1.478 5.538 ( -3.920 -0.752 -0.869) 4.085 5.664 ( -2.111 -10.048 -1.358) 10.357 5.807 ( 0.636 2.127 0.975) 2.424 6.045 ( 1.684 -2.188 -0.729) 2.855 6.097 ( -1.213 2.983 1.953) 3.766 7.147 ( -3.398 2.182 -1.661) 4.367 7.620 ( 7.963 -1.177 2.885) 8.551 8.275 ( 2.379 3.508 -14.333) 14.947 8.466 ( -4.779 0.970 14.317) 15.125 8.998 ( 1.124 0.897 0.076) 1.440 9.581 ( -2.427 17.580 2.873) 17.978 9.845 ( 1.304 8.311 -0.443) 8.424 9.935 ( 1.434 6.801 0.790) 6.995 10.287 ( -5.732 -15.075 1.227) 16.174 10.576 ( 0.640 -17.398 -2.184) 17.547 11.279 ( -1.254 1.040 0.505) 1.706 12.561 ( 0.614 0.358 0.769) 1.047 12.724 ( 1.666 2.196 -2.231) 3.546 12.829 ( -6.267 -4.366 0.925) 7.694 13.190 ( 3.039 5.760 0.999) 6.589 13.281 ( 2.389 0.055 0.488) 2.439 14.034 ( 1.870 -1.567 -4.574) 5.184 15.111 ( -0.326 -0.966 -0.261) 1.052 15.210 ( 1.020 -0.468 0.723) 1.335 15.719 ( 1.245 4.145 1.111) 4.468 16.722 ( -6.019 2.760 -4.922) 8.251 17.323 ( 21.251 28.321 11.805) 37.323 20.476 ( 1.820 -3.731 -4.308) 5.982 21.082 ( -1.412 5.751 0.728) 5.966 21.337 ( -1.720 -5.737 -0.607) 6.020 22.544 ( 7.442 3.163 4.466) 9.238 23.150 ( -0.723 -1.805 -1.081) 2.225 23.236 ( -2.588 2.226 -2.815) 4.425 23.671 ( -8.485 -11.087 4.516) 14.673 23.823 ( -3.370 -2.543 -1.035) 4.347 ======================= Grid point 14 (9/196) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 9.224 -16.183 -1.191) 18.665 0.974 ( 7.207 -15.454 6.886) 18.390 1.294 ( 13.781 -14.007 2.781) 19.846 1.953 ( -0.507 4.125 -3.227) 5.262 2.332 ( 0.620 12.290 -5.527) 13.490 2.633 ( 0.426 -0.637 -0.117) 0.775 2.900 ( -3.711 0.243 -4.081) 5.521 3.052 ( 1.061 -0.534 -3.007) 3.233 3.315 ( -1.041 1.248 1.718) 2.365 3.585 ( 6.763 -3.274 4.932) 8.988 4.142 ( -1.523 -1.150 0.345) 1.939 4.232 ( -0.857 0.490 -0.395) 1.063 4.538 ( 1.170 0.084 -0.729) 1.381 5.529 ( -2.859 -1.583 -0.278) 3.280 5.752 ( -0.620 3.091 0.173) 3.157 5.895 ( -1.813 -15.925 -1.284) 16.079 5.976 ( -0.129 7.112 1.201) 7.214 6.144 ( 0.542 -5.168 0.342) 5.208 7.119 ( -2.664 -2.066 -1.966) 3.903 7.724 ( 7.537 -2.402 2.635) 8.338 8.150 ( 3.036 10.190 -8.706) 13.742 8.441 ( -6.279 -0.360 7.988) 10.167 8.972 ( 0.817 3.023 0.538) 3.177 9.265 ( -1.545 16.390 1.232) 16.509 9.697 ( 0.073 7.264 -2.154) 7.577 9.860 ( 0.411 4.274 2.299) 4.870 10.503 ( -2.718 -12.988 0.489) 13.278 10.871 ( -0.049 -15.772 -0.252) 15.774 11.244 ( -1.425 1.731 0.324) 2.265 12.547 ( 0.112 1.902 0.444) 1.956 12.698 ( 1.328 1.718 -1.274) 2.517 12.885 ( -5.356 -6.644 2.046) 8.775 13.109 ( 2.593 5.929 0.733) 6.513 13.288 ( 1.978 1.256 0.334) 2.366 14.074 ( 1.997 -2.336 -4.592) 5.525 15.128 ( -0.413 -1.310 -0.475) 1.454 15.214 ( 2.300 1.775 1.050) 3.090 15.651 ( 0.745 4.662 0.783) 4.786 16.605 ( -5.841 3.165 -4.970) 8.297 17.202 ( 16.518 8.881 6.928) 19.993 20.570 ( 0.460 -6.338 -0.942) 6.424 20.973 ( -1.489 5.131 0.349) 5.354 21.422 ( -1.482 -5.410 -0.461) 5.628 22.538 ( 6.719 5.639 6.008) 10.632 23.141 ( -1.313 4.091 -1.744) 4.637 23.191 ( 1.211 -1.948 -2.989) 3.767 23.641 ( -7.534 3.205 0.777) 8.225 23.932 ( -3.372 -9.343 0.245) 9.935 ======================= Grid point 15 (10/196) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 4.675 -13.332 2.601) 14.366 1.321 ( 6.710 -15.339 1.289) 16.792 1.596 ( 8.277 -8.903 2.944) 12.507 1.868 ( -1.616 3.263 -3.783) 5.251 2.125 ( 0.620 9.912 -6.952) 12.123 2.636 ( 1.441 1.518 0.795) 2.239 2.848 ( -3.255 1.154 -4.543) 5.707 3.031 ( 1.245 3.062 -1.782) 3.755 3.300 ( -1.087 -0.072 2.022) 2.297 3.678 ( 4.432 -0.418 3.385) 5.592 4.162 ( -1.884 -0.067 0.982) 2.126 4.272 ( -0.235 -8.466 -0.902) 8.517 4.546 ( 0.733 -0.362 -0.853) 1.182 5.544 ( -1.196 -1.856 0.376) 2.240 5.676 ( -0.812 5.273 0.772) 5.391 5.795 ( -0.261 10.477 -0.127) 10.481 6.226 ( -0.618 -14.454 -1.366) 14.532 6.246 ( -0.967 -12.218 0.897) 12.289 7.152 ( -1.941 -3.998 -1.851) 4.814 7.832 ( 6.190 -2.256 1.900) 6.856 7.921 ( 2.297 16.194 -3.464) 16.719 8.422 ( -5.451 -1.410 2.368) 6.108 8.911 ( 0.130 4.202 0.191) 4.209 9.009 ( -0.233 11.840 1.649) 11.957 9.589 ( -0.875 3.908 -1.973) 4.465 9.796 ( -0.031 3.625 1.720) 4.012 10.698 ( -0.500 -10.284 0.294) 10.300 11.117 ( -0.326 -11.932 0.211) 11.938 11.201 ( -1.404 1.598 0.132) 2.131 12.502 ( -0.677 2.749 0.138) 2.834 12.678 ( 0.955 1.364 -0.642) 1.784 12.936 ( -0.369 1.162 2.422) 2.712 13.071 ( -2.059 -3.219 -0.003) 3.821 13.278 ( 1.852 1.540 0.397) 2.441 14.119 ( 1.914 -2.095 -3.714) 4.674 15.140 ( 0.746 0.436 -0.191) 0.885 15.199 ( 2.521 2.145 1.163) 3.508 15.578 ( -0.842 3.520 0.071) 3.620 16.493 ( -6.875 1.891 -5.213) 8.833 17.251 ( 12.446 2.079 5.008) 13.576 20.686 ( -0.236 -6.296 0.051) 6.300 20.888 ( -1.007 3.019 -0.111) 3.184 21.496 ( -1.097 -4.174 -0.329) 4.328 22.495 ( 4.428 6.143 6.356) 9.887 23.047 ( -0.666 4.359 -2.716) 5.179 23.250 ( 3.963 -2.626 -2.371) 5.313 23.506 ( -7.467 4.592 0.096) 8.767 24.051 ( -2.128 -6.547 0.408) 6.896 ======================= Grid point 16 (11/196) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 2.239 -10.030 3.407) 10.826 1.587 ( 4.483 -7.668 -1.634) 9.032 1.765 ( 3.516 -3.972 4.644) 7.050 1.798 ( -0.184 2.212 -6.640) 7.001 1.957 ( -1.595 6.410 -4.111) 7.780 2.606 ( 1.080 2.766 -0.402) 2.996 2.785 ( -3.147 1.531 -3.026) 4.627 2.984 ( 2.241 2.995 0.990) 3.870 3.310 ( -0.524 -1.122 0.844) 1.498 3.692 ( 1.052 1.853 1.917) 2.866 4.134 ( -0.733 1.335 0.156) 1.531 4.476 ( -0.307 -11.765 -0.120) 11.769 4.562 ( 0.033 -2.261 -0.944) 2.451 5.500 ( 0.315 11.707 0.824) 11.740 5.586 ( -0.180 -1.147 1.455) 1.862 5.666 ( -0.947 3.171 -1.139) 3.499 6.306 ( 0.217 -2.631 0.003) 2.640 6.616 ( -1.585 -21.994 -0.433) 22.055 7.205 ( -1.066 -3.553 -1.101) 3.870 7.615 ( 1.216 18.574 -1.020) 18.642 7.900 ( 3.674 0.018 0.829) 3.767 8.418 ( -2.924 -1.872 0.198) 3.478 8.841 ( 0.278 3.120 -2.225) 3.842 8.862 ( 0.187 5.686 3.720) 6.797 9.534 ( -0.876 1.064 -1.348) 1.928 9.743 ( -0.446 2.465 0.843) 2.643 10.845 ( 0.316 -5.952 0.117) 5.961 11.165 ( -0.418 1.002 -0.040) 1.087 11.285 ( -0.620 -6.876 0.312) 6.911 12.450 ( -1.248 2.007 -0.097) 2.366 12.663 ( 0.600 0.903 -0.279) 1.119 12.882 ( 1.532 4.189 1.076) 4.588 13.145 ( -3.832 -5.916 0.157) 7.051 13.272 ( 1.840 0.961 0.552) 2.148 14.155 ( 1.623 -1.014 -2.170) 2.893 15.115 ( 2.929 3.848 1.017) 4.942 15.199 ( 0.484 -0.334 0.183) 0.616 15.521 ( -1.832 1.406 -0.491) 2.361 16.406 ( -7.623 -0.528 -4.917) 9.086 17.325 ( 9.724 2.089 4.479) 10.907 20.764 ( 0.058 -2.143 0.284) 2.163 20.861 ( -0.807 -0.984 -0.356) 1.322 21.547 ( -0.609 -2.479 -0.195) 2.560 22.432 ( 1.858 5.322 3.846) 6.824 22.975 ( -0.333 2.303 -2.258) 3.242 23.319 ( 3.355 0.285 -0.946) 3.498 23.387 ( -4.340 0.484 -0.131) 4.369 24.128 ( -1.240 -3.636 0.450) 3.868 ======================= Grid point 17 (12/196) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -1.183 5.500 -2.098) 6.004 1.646 ( 1.738 -2.149 1.776) 3.285 1.694 ( -2.182 8.392 -8.102) 11.867 1.823 ( 2.794 -2.107 -0.956) 3.627 1.931 ( -1.386 -2.336 6.838) 7.358 2.580 ( 1.374 0.301 -1.903) 2.366 2.753 ( -3.275 -2.444 -0.938) 4.193 2.976 ( 2.640 0.960 2.316) 3.641 3.323 ( -0.081 -0.250 0.256) 0.367 3.649 ( -2.029 2.745 0.445) 3.442 4.119 ( -0.111 -0.421 -0.368) 0.570 4.542 ( 0.040 0.082 0.276) 0.290 4.655 ( -0.207 -0.950 -0.614) 1.150 5.356 ( 0.032 0.949 0.157) 0.963 5.601 ( 0.116 0.406 0.176) 0.458 5.648 ( -0.008 -1.553 0.127) 1.558 6.329 ( 0.028 0.195 -0.096) 0.219 6.885 ( -0.115 -2.619 0.013) 2.621 7.244 ( -0.111 -1.432 0.002) 1.436 7.376 ( -0.389 2.119 -0.170) 2.161 7.884 ( 0.354 3.856 -0.313) 3.885 8.445 ( -0.109 -2.548 -0.262) 2.563 8.814 ( 1.498 -0.244 -2.852) 3.231 8.823 ( -0.246 0.045 3.822) 3.830 9.528 ( -0.331 -1.115 -0.481) 1.259 9.709 ( -1.094 0.774 -0.241) 1.362 10.898 ( 0.123 0.255 -0.261) 0.385 11.164 ( 0.648 -0.839 0.407) 1.136 11.345 ( -0.383 -0.187 -0.061) 0.430 12.421 ( -1.436 -0.255 -0.256) 1.480 12.655 ( 0.290 0.391 -0.286) 0.564 12.846 ( 0.999 1.050 0.466) 1.522 13.190 ( -2.717 -2.094 -0.195) 3.436 13.274 ( 1.524 0.736 0.411) 1.742 14.168 ( 1.147 0.386 -0.353) 1.260 15.077 ( 1.822 2.506 0.930) 3.235 15.206 ( 0.177 0.074 0.049) 0.198 15.499 ( -1.793 -0.803 -0.754) 2.104 16.366 ( -7.281 -3.391 -3.978) 8.963 17.342 ( 7.054 5.397 3.984) 9.735 20.785 ( 1.304 -0.508 -0.484) 1.481 20.874 ( -1.293 -0.319 0.583) 1.454 21.570 ( -0.134 -0.539 -0.065) 0.560 22.364 ( -0.470 3.291 -0.496) 3.362 22.956 ( -0.104 -0.810 -0.643) 1.039 23.253 ( -3.885 2.646 1.330) 4.885 23.461 ( 4.841 -4.441 -0.864) 6.625 24.161 ( -0.548 -0.863 0.507) 1.141 ======================= Grid point 18 (13/196) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -1.227 12.469 -6.734) 14.224 1.453 ( -3.891 13.975 -2.519) 14.724 1.598 ( -0.557 8.459 2.101) 8.734 1.908 ( 2.166 -2.512 2.743) 4.304 1.969 ( -2.651 -4.536 3.699) 6.425 2.596 ( 0.968 -0.949 -2.801) 3.112 2.831 ( -1.371 -7.965 1.451) 8.212 2.996 ( 1.757 -0.435 1.538) 2.376 3.318 ( 0.136 0.659 0.185) 0.698 3.570 ( -3.917 3.316 -0.856) 5.203 4.146 ( 0.260 -2.512 -0.519) 2.578 4.503 ( 0.769 10.889 1.097) 10.971 4.548 ( -0.673 3.137 -0.755) 3.296 5.479 ( -0.394 -11.413 -0.481) 11.430 5.612 ( 1.688 -1.737 -0.209) 2.431 5.682 ( -0.743 -2.315 0.409) 2.466 6.299 ( -0.088 3.004 -0.103) 3.007 6.661 ( 0.719 20.957 0.052) 20.969 7.252 ( 0.770 0.972 0.897) 1.530 7.578 ( -0.996 -18.504 0.461) 18.537 7.780 ( -2.124 6.311 -0.979) 6.730 8.492 ( 1.334 -1.865 -0.579) 2.365 8.852 ( 0.732 -2.986 -0.948) 3.217 8.879 ( 0.915 -5.705 1.447) 5.956 9.565 ( 0.661 -2.862 0.652) 3.009 9.697 ( -2.049 -1.168 -1.437) 2.762 10.849 ( 0.486 4.928 -0.226) 4.957 11.196 ( 0.931 -1.453 0.669) 1.851 11.284 ( -0.390 6.571 -0.535) 6.604 12.435 ( -1.189 -2.534 -0.318) 2.817 12.652 ( -0.037 -0.044 -0.310) 0.315 12.868 ( 0.652 -2.642 0.248) 2.732 13.166 ( -1.844 2.669 -0.750) 3.329 13.276 ( 1.514 0.296 0.450) 1.607 14.158 ( 0.591 1.749 0.967) 2.085 15.072 ( 0.219 -0.978 0.463) 1.104 15.197 ( 0.160 1.124 0.083) 1.139 15.509 ( -1.654 -1.927 -0.891) 2.691 16.382 ( -5.935 -5.402 -2.823) 8.507 17.268 ( 4.071 9.125 2.882) 10.399 20.792 ( 1.639 2.911 -0.848) 3.447 20.859 ( -1.181 -0.884 1.113) 1.848 21.563 ( 0.184 1.459 0.062) 1.472 22.317 ( -1.880 0.111 -2.809) 3.382 22.997 ( 0.181 -3.669 0.430) 3.699 23.199 ( -2.582 0.905 1.588) 3.164 23.583 ( 4.475 -5.055 -0.576) 6.776 24.154 ( 0.199 1.566 0.563) 1.677 ======================= Grid point 19 (14/196) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -2.201 17.197 -3.878) 17.766 1.137 ( -1.712 18.077 -1.631) 18.231 1.361 ( -2.211 17.398 1.960) 17.647 1.938 ( 0.207 -1.029 0.942) 1.410 2.107 ( -1.139 -10.567 2.392) 10.894 2.613 ( 0.388 -1.258 -1.741) 2.183 2.965 ( 0.797 -5.321 2.890) 6.107 3.022 ( -0.032 -1.460 -0.895) 1.713 3.314 ( 0.158 -0.164 0.313) 0.387 3.464 ( -3.577 4.827 -1.513) 6.196 4.198 ( 0.519 -2.812 -0.472) 2.899 4.285 ( 0.051 10.744 0.482) 10.755 4.525 ( -0.358 0.676 0.010) 0.765 5.616 ( 1.643 -3.647 0.788) 4.077 5.671 ( -0.114 -1.253 -1.001) 1.608 5.778 ( -0.920 -10.855 -0.058) 10.894 6.226 ( -0.121 5.040 0.107) 5.042 6.282 ( 0.480 21.437 -0.124) 21.442 7.230 ( 1.101 2.558 0.724) 2.878 7.642 ( -2.512 6.318 -0.957) 6.866 7.895 ( -0.543 -16.984 1.043) 17.024 8.513 ( 1.110 0.546 -1.031) 1.611 8.913 ( 0.216 -3.378 0.034) 3.385 9.049 ( 0.997 -12.328 0.203) 12.370 9.640 ( 1.878 -3.996 2.056) 4.870 9.707 ( -3.087 -2.892 -2.649) 4.991 10.747 ( 1.246 7.113 0.017) 7.221 11.104 ( -0.502 12.546 0.061) 12.556 11.237 ( 0.458 -1.775 -0.131) 1.838 12.480 ( -0.657 -3.215 -0.260) 3.291 12.653 ( -0.386 -0.218 -0.067) 0.448 12.944 ( 0.973 -4.877 0.113) 4.975 13.076 ( -1.310 5.260 -0.808) 5.480 13.287 ( 0.967 -0.028 0.395) 1.045 14.123 ( 0.170 2.678 1.100) 2.900 15.117 ( -0.223 -3.754 0.280) 3.771 15.173 ( 0.083 1.700 0.021) 1.702 15.527 ( -1.751 -1.733 -0.958) 2.644 16.431 ( -4.199 -4.991 -1.869) 6.785 17.116 ( 1.243 10.585 1.291) 10.736 20.696 ( 0.119 7.305 0.128) 7.307 20.911 ( 0.214 -4.250 0.103) 4.257 21.523 ( 0.256 3.295 0.117) 3.307 22.319 ( -1.760 -2.622 -2.001) 3.738 23.083 ( 0.388 -5.507 0.329) 5.530 23.181 ( -1.092 0.064 1.132) 1.574 23.702 ( 2.647 -5.058 -0.502) 5.731 24.116 ( 0.972 3.258 0.546) 3.443 ======================= Grid point 20 (15/196) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 0.000 20.736 0.000) 20.736 0.787 ( 0.000 20.524 0.000) 20.524 0.979 ( 0.000 24.325 0.000) 24.325 1.970 ( -0.000 -2.334 -0.000) 2.334 2.320 ( -0.000 -13.538 -0.000) 13.538 2.639 ( -0.000 -1.657 -0.000) 1.657 3.015 ( 0.000 1.594 0.000) 1.594 3.033 ( -0.000 -0.808 -0.000) 0.808 3.329 ( -0.000 -1.223 -0.000) 1.223 3.337 ( 0.000 7.298 0.000) 7.298 4.170 ( 0.000 2.084 0.000) 2.084 4.244 ( -0.000 -1.892 -0.000) 1.892 4.514 ( 0.000 0.375 0.000) 0.375 5.647 ( 0.000 1.477 0.000) 1.477 5.708 ( -0.000 -4.260 -0.000) 4.260 5.938 ( 0.000 17.205 0.000) 17.205 5.952 ( -0.000 -8.143 -0.000) 8.143 6.133 ( 0.000 5.080 0.000) 5.080 7.186 ( 0.000 2.929 0.000) 2.929 7.530 ( 0.000 4.606 0.000) 4.606 8.155 ( -0.000 -12.285 -0.000) 12.285 8.490 ( 0.000 2.136 0.000) 2.136 8.969 ( -0.000 -2.731 -0.000) 2.731 9.314 ( -0.000 -16.472 -0.000) 16.472 9.724 ( -0.000 -3.086 -0.000) 3.086 9.752 ( -0.000 -5.366 -0.000) 5.366 10.628 ( 0.000 7.011 0.000) 7.011 10.838 ( 0.000 16.915 0.000) 16.915 11.270 ( -0.000 -1.663 -0.000) 1.663 12.527 ( -0.000 -2.152 -0.000) 2.152 12.654 ( -0.000 -0.223 -0.000) 0.223 12.970 ( 0.000 5.075 0.000) 5.075 13.050 ( -0.000 -5.927 -0.000) 5.927 13.289 ( 0.000 0.513 0.000) 0.513 14.077 ( 0.000 2.653 0.000) 2.653 15.142 ( 0.000 1.703 0.000) 1.703 15.193 ( -0.000 -4.448 -0.000) 4.448 15.537 ( -0.000 -0.812 -0.000) 0.812 16.463 ( -0.000 -1.025 -0.000) 1.025 16.956 ( 0.000 7.350 0.000) 7.350 20.566 ( 0.000 6.888 0.000) 6.888 20.999 ( -0.000 -5.436 -0.000) 5.436 21.453 ( 0.000 4.730 0.000) 4.730 22.365 ( -0.000 -3.616 -0.000) 3.616 23.177 ( 0.000 0.165 0.000) 0.165 23.189 ( -0.000 -5.892 -0.000) 5.892 23.795 ( -0.000 -4.178 -0.000) 4.178 24.061 ( 0.000 3.740 0.000) 3.740 ======================= Grid point 23 (16/196) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 13.264 -0.000 7.144) 15.066 0.637 ( 18.283 -0.000 3.111) 18.546 0.948 ( 23.392 -0.000 4.366) 23.796 2.071 ( 1.592 -0.000 -1.632) 2.280 2.555 ( -3.223 0.000 -5.653) 6.507 2.621 ( -5.776 0.000 -0.325) 5.785 2.934 ( -5.256 0.000 -2.073) 5.650 3.018 ( 5.402 -0.000 -7.614) 9.335 3.359 ( -0.008 0.000 1.143) 1.143 3.470 ( 5.451 -0.000 6.812) 8.724 4.179 ( -0.868 0.000 -0.373) 0.945 4.238 ( -2.131 0.000 0.038) 2.131 4.548 ( 1.491 -0.000 -0.316) 1.524 5.502 ( -3.450 0.000 -0.570) 3.497 5.546 ( -2.487 0.000 -1.967) 3.171 5.829 ( -0.478 0.000 0.553) 0.731 6.028 ( 1.390 -0.000 0.056) 1.392 6.123 ( -1.219 0.000 1.053) 1.610 7.125 ( -6.023 0.000 -2.619) 6.568 7.685 ( 8.041 -0.000 2.912) 8.552 8.272 ( 1.363 -0.000 -14.856) 14.918 8.485 ( -4.677 0.000 14.468) 15.205 9.022 ( 2.374 -0.000 0.594) 2.448 9.841 ( -4.465 0.000 -3.639) 5.760 9.901 ( -0.221 0.000 4.596) 4.601 9.929 ( -2.265 0.000 8.690) 8.980 10.203 ( 1.423 -0.000 -8.591) 8.709 10.312 ( -0.254 0.000 1.262) 1.287 11.279 ( -1.508 0.000 0.706) 1.665 12.572 ( 0.777 -0.000 0.938) 1.218 12.719 ( -8.075 0.000 0.771) 8.112 12.756 ( 1.214 -0.000 -2.827) 3.077 13.277 ( 2.184 -0.000 0.809) 2.329 13.315 ( 4.839 -0.000 1.180) 4.980 14.025 ( 2.420 -0.000 -5.512) 6.020 15.099 ( -0.212 0.000 -0.151) 0.260 15.219 ( 1.955 -0.000 1.532) 2.483 15.757 ( -0.332 0.000 0.393) 0.515 16.664 ( -8.303 0.000 -6.662) 10.645 17.761 ( 0.997 -0.000 4.740) 4.844 20.447 ( 2.262 -0.000 -5.489) 5.936 21.150 ( -1.175 0.000 1.678) 2.048 21.239 ( -2.875 0.000 -0.980) 3.037 22.653 ( 8.939 -0.000 5.283) 10.384 23.124 ( 0.327 -0.000 0.247) 0.410 23.204 ( -3.431 0.000 -2.325) 4.144 23.532 ( 1.493 -0.000 6.501) 6.671 23.779 ( -5.137 0.000 -0.552) 5.167 ======================= Grid point 24 (17/196) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 11.396 -10.524 4.222) 16.076 0.869 ( 14.854 -7.762 3.992) 17.229 1.222 ( 17.558 -8.757 3.323) 19.900 2.027 ( 0.574 4.795 -2.899) 5.632 2.481 ( -7.035 7.077 -2.536) 10.296 2.581 ( 0.669 -4.298 -5.814) 7.261 2.867 ( -4.884 1.200 -2.361) 5.556 3.046 ( 3.759 -0.421 -5.535) 6.705 3.342 ( -0.322 1.859 1.633) 2.495 3.585 ( 6.276 -4.070 6.151) 9.685 4.150 ( -1.022 2.023 0.195) 2.275 4.220 ( -2.328 -0.192 -0.339) 2.361 4.552 ( 1.217 0.552 -0.816) 1.565 5.484 ( -2.039 -0.969 -0.039) 2.258 5.611 ( -3.015 -10.059 -2.327) 10.756 5.805 ( -1.386 1.718 0.567) 2.280 6.071 ( 1.528 -3.013 -0.143) 3.382 6.082 ( -1.216 3.556 1.107) 3.918 7.070 ( -4.030 -0.183 -2.284) 4.636 7.767 ( 7.763 -0.991 2.815) 8.317 8.239 ( 2.189 1.245 -14.390) 14.609 8.445 ( -6.493 3.336 13.345) 15.211 9.029 ( 2.013 1.795 0.785) 2.809 9.563 ( -0.797 17.210 1.906) 17.334 9.850 ( -0.674 9.177 -0.224) 9.204 9.928 ( -2.038 3.962 0.222) 4.460 10.246 ( -0.482 -13.040 1.111) 13.096 10.563 ( -1.150 -17.902 -1.129) 17.974 11.258 ( -1.564 1.056 0.623) 1.987 12.571 ( -0.208 0.912 0.057) 0.937 12.693 ( -5.624 -3.149 1.038) 6.529 12.760 ( -0.147 -1.012 -1.286) 1.643 13.251 ( 3.282 5.258 1.278) 6.328 13.339 ( 3.863 1.687 0.962) 4.324 14.045 ( 2.519 -1.503 -5.435) 6.176 15.105 ( -0.196 -0.782 -0.209) 0.833 15.246 ( 2.338 -0.361 1.543) 2.824 15.726 ( -0.423 3.161 0.270) 3.201 16.561 ( -8.718 1.399 -7.027) 11.285 17.603 ( 9.738 16.249 5.074) 19.611 20.483 ( 1.099 -3.568 -1.957) 4.216 21.059 ( -1.851 5.973 0.863) 6.313 21.301 ( -2.131 -6.339 -0.372) 6.698 22.709 ( 8.621 4.097 5.780) 11.159 23.136 ( -0.423 -1.957 -0.821) 2.164 23.178 ( -2.167 0.951 -2.654) 3.556 23.607 ( -3.094 -2.178 2.232) 4.393 23.760 ( -3.696 -5.118 0.669) 6.348 ======================= Grid point 25 (18/196) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 9.950 -13.557 0.354) 16.821 1.140 ( 9.507 -10.047 5.219) 14.784 1.511 ( 10.026 -9.426 2.068) 13.916 1.925 ( -0.660 5.251 -3.165) 6.166 2.271 ( -4.113 9.289 -6.033) 11.815 2.655 ( 2.581 -2.116 -2.396) 4.109 2.811 ( -4.322 -0.300 -4.012) 5.905 3.061 ( 2.230 0.295 -3.590) 4.237 3.310 ( -1.008 1.540 2.908) 3.441 3.706 ( 4.858 -2.057 4.854) 7.169 4.120 ( -1.407 -0.600 0.993) 1.824 4.207 ( -1.744 -0.711 -0.981) 2.123 4.549 ( 0.825 0.324 -1.278) 1.555 5.500 ( -0.843 -1.963 0.512) 2.197 5.727 ( -1.826 1.257 -0.871) 2.382 5.855 ( -2.254 -15.470 -1.088) 15.671 5.975 ( -0.728 7.333 1.190) 7.465 6.156 ( 0.724 -4.939 0.152) 4.994 7.066 ( -2.289 -2.930 -2.005) 4.224 7.858 ( 6.743 -1.596 2.268) 7.291 8.158 ( 4.110 8.510 -10.733) 14.301 8.361 ( -8.569 0.875 9.217) 12.615 8.991 ( 0.975 4.044 0.332) 4.173 9.269 ( 0.850 16.304 2.830) 16.570 9.674 ( -1.437 7.598 -2.336) 8.078 9.856 ( -1.574 3.250 1.111) 3.778 10.487 ( 0.167 -13.166 0.753) 13.189 10.857 ( -1.415 -16.375 -0.095) 16.436 11.222 ( -1.325 1.704 0.320) 2.182 12.534 ( -1.910 1.988 -0.415) 2.787 12.703 ( -0.067 0.201 -0.599) 0.635 12.816 ( -3.373 -7.131 1.603) 8.050 13.164 ( 3.201 7.638 1.146) 8.361 13.332 ( 2.669 2.253 0.758) 3.574 14.087 ( 2.418 -2.306 -4.479) 5.588 15.122 ( -0.029 -1.367 -0.256) 1.392 15.270 ( 3.334 1.055 1.656) 3.870 15.645 ( -1.368 4.981 -0.214) 5.170 16.440 ( -8.881 1.945 -6.791) 11.348 17.485 ( 12.923 9.292 5.245) 16.759 20.573 ( 0.258 -5.984 -0.210) 5.993 20.949 ( -1.579 4.860 0.424) 5.127 21.394 ( -1.564 -5.876 -0.312) 6.088 22.679 ( 5.953 7.513 6.305) 11.474 23.109 ( -1.014 3.981 -2.763) 4.951 23.199 ( 1.032 -4.642 -1.695) 5.048 23.532 ( -5.311 4.322 -0.704) 6.883 23.891 ( -2.294 -9.264 1.502) 9.661 ======================= Grid point 26 (19/196) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 7.859 -8.784 1.679) 11.905 1.431 ( 5.311 -13.607 1.508) 14.684 1.713 ( 3.691 -6.427 1.218) 7.511 1.829 ( -0.741 3.766 -3.005) 4.875 2.069 ( -2.554 8.677 -5.805) 10.747 2.658 ( 0.491 2.083 -1.338) 2.524 2.783 ( -1.140 0.641 -3.884) 4.098 3.050 ( 1.893 2.027 -1.112) 2.988 3.294 ( -1.067 -0.027 2.624) 2.832 3.746 ( 1.790 1.780 3.112) 4.007 4.139 ( -1.354 -0.511 0.731) 1.622 4.261 ( -0.530 -8.908 -0.723) 8.953 4.549 ( 0.318 -0.131 -1.163) 1.213 5.539 ( 0.053 -2.494 0.799) 2.620 5.660 ( -1.297 4.093 0.082) 4.295 5.790 ( -0.219 11.158 0.126) 11.160 6.195 ( -1.800 -22.026 -0.813) 22.114 6.247 ( 0.175 -4.911 0.246) 4.920 7.116 ( -1.294 -4.585 -1.472) 4.987 7.932 ( 3.945 4.179 0.286) 5.754 7.942 ( 2.910 11.482 -2.072) 12.024 8.341 ( -5.251 -2.944 1.745) 6.268 8.912 ( 0.185 4.972 -0.959) 5.067 9.034 ( 1.282 12.013 3.621) 12.612 9.559 ( -1.418 3.538 -2.024) 4.316 9.791 ( -1.157 3.123 0.811) 3.427 10.703 ( 0.713 -10.414 0.332) 10.444 11.104 ( -1.206 -12.652 0.270) 12.712 11.184 ( -0.744 1.582 0.097) 1.751 12.476 ( -2.198 2.389 -0.384) 3.269 12.689 ( 0.739 1.277 -0.606) 1.595 12.930 ( -1.678 -5.972 2.400) 6.652 13.060 ( 0.706 4.953 -0.099) 5.004 13.314 ( 1.848 1.959 0.624) 2.764 14.136 ( 2.055 -2.062 -3.021) 4.196 15.150 ( 0.664 -1.491 0.003) 1.632 15.265 ( 4.394 3.833 1.862) 6.121 15.541 ( -3.262 3.916 -1.014) 5.196 16.322 ( -8.479 0.947 -5.871) 10.357 17.487 ( 11.232 4.439 4.788) 12.992 20.685 ( 0.071 -6.211 0.181) 6.214 20.870 ( -1.141 2.743 0.067) 2.972 21.476 ( -0.983 -4.635 -0.251) 4.745 22.590 ( 3.214 8.349 5.386) 10.443 23.020 ( -0.701 3.950 -3.107) 5.074 23.297 ( 2.056 -5.172 -1.407) 5.741 23.403 ( -3.896 5.274 -0.435) 6.571 24.022 ( -1.733 -6.985 0.957) 7.260 ======================= Grid point 27 (20/196) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 3.377 -6.540 1.873) 7.595 1.634 ( 1.561 -3.122 0.300) 3.504 1.771 ( 2.623 0.623 -11.856) 12.159 1.819 ( -0.326 -2.193 5.282) 5.729 1.909 ( -2.190 4.116 0.516) 4.690 2.613 ( 0.145 2.200 -1.782) 2.835 2.730 ( -1.490 2.721 -1.572) 3.478 3.029 ( 2.076 1.944 1.184) 3.081 3.306 ( -0.416 -1.274 0.863) 1.594 3.703 ( -0.566 3.917 1.544) 4.248 4.123 ( -0.522 0.822 -0.161) 0.987 4.474 ( -0.044 -13.025 0.338) 13.029 4.553 ( -0.268 -0.973 -1.185) 1.556 5.508 ( 0.189 11.686 0.536) 11.700 5.595 ( 0.195 -1.989 1.362) 2.419 5.645 ( -0.746 3.245 -0.988) 3.473 6.309 ( 0.143 -2.442 -0.027) 2.446 6.591 ( -1.070 -22.683 -0.328) 22.710 7.186 ( -0.622 -4.278 -0.653) 4.372 7.625 ( 0.522 18.892 -0.715) 18.913 7.956 ( 2.434 2.441 0.364) 3.466 8.376 ( -1.956 -4.015 -0.079) 4.467 8.836 ( 0.271 2.833 -1.322) 3.138 8.891 ( 0.833 6.274 2.927) 6.973 9.511 ( -0.884 0.400 -1.176) 1.525 9.733 ( -0.879 2.564 0.327) 2.730 10.852 ( 0.446 -5.549 -0.018) 5.567 11.163 ( 0.091 0.288 0.184) 0.353 11.275 ( -0.720 -7.237 0.156) 7.274 12.421 ( -1.725 1.635 -0.284) 2.393 12.671 ( 0.482 1.104 -0.309) 1.244 12.918 ( 1.844 5.271 1.113) 5.694 13.088 ( -2.896 -6.424 -0.051) 7.046 13.299 ( 1.080 1.199 0.425) 1.668 14.172 ( 1.463 -0.999 -1.441) 2.284 15.174 ( 2.705 1.686 1.041) 3.353 15.217 ( 1.840 3.787 0.722) 4.272 15.470 ( -3.493 0.284 -1.252) 3.721 16.249 ( -6.680 -1.522 -4.107) 7.988 17.504 ( 7.649 4.442 3.723) 9.596 20.776 ( 1.211 -2.823 -0.085) 3.073 20.839 ( -1.681 -0.795 0.137) 1.864 21.537 ( -0.445 -2.904 -0.148) 2.942 22.472 ( 0.954 7.966 2.266) 8.337 22.957 ( -0.365 1.599 -1.929) 2.532 23.286 ( -3.440 3.867 0.444) 5.194 23.409 ( 3.418 -4.754 -0.876) 5.920 24.111 ( -1.030 -4.149 0.597) 4.316 ======================= Grid point 28 (21/196) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -1.741 6.731 -1.442) 7.101 1.615 ( -1.037 7.068 -2.721) 7.644 1.722 ( 3.514 3.737 -0.575) 5.162 1.842 ( -0.285 -3.534 0.138) 3.548 1.940 ( -0.533 -2.018 3.016) 3.668 2.591 ( 0.885 0.267 -1.563) 1.816 2.705 ( -1.772 -3.225 0.078) 3.680 3.021 ( 1.310 1.035 1.098) 1.998 3.323 ( -0.052 -0.407 0.178) 0.448 3.619 ( -1.342 4.643 0.258) 4.840 4.116 ( -0.063 -0.702 -0.225) 0.740 4.544 ( 0.032 0.252 0.200) 0.323 4.648 ( -0.138 -1.733 -0.411) 1.786 5.357 ( 0.008 1.594 0.094) 1.597 5.604 ( 0.097 0.262 0.114) 0.302 5.648 ( -0.041 -2.085 0.068) 2.086 6.329 ( 0.019 0.310 -0.058) 0.316 6.883 ( -0.069 -4.187 0.011) 4.187 7.243 ( -0.060 -2.334 0.000) 2.335 7.369 ( -0.231 3.364 -0.098) 3.373 7.888 ( 0.224 6.247 -0.196) 6.254 8.442 ( -0.090 -4.081 -0.165) 4.085 8.819 ( 0.393 -0.794 -0.686) 1.120 8.842 ( 0.426 0.440 1.312) 1.447 9.521 ( -0.174 -2.064 -0.328) 2.097 9.690 ( -0.742 1.542 -0.145) 1.718 10.898 ( 0.066 0.360 -0.162) 0.401 11.177 ( 0.468 -1.326 0.270) 1.432 11.338 ( -0.289 -0.268 -0.054) 0.398 12.398 ( -0.867 -0.493 -0.159) 1.010 12.658 ( 0.158 0.627 -0.167) 0.668 12.864 ( 0.697 1.706 0.295) 1.867 13.154 ( -1.291 -2.498 -0.067) 2.813 13.292 ( 0.469 0.513 0.174) 0.716 14.185 ( 0.719 0.437 -0.207) 0.866 15.115 ( 1.529 4.734 0.769) 5.034 15.209 ( 0.054 -0.017 -0.011) 0.057 15.463 ( -1.524 -1.699 -0.651) 2.373 16.249 ( -3.599 -4.141 -1.957) 5.825 17.457 ( 3.521 7.282 1.993) 8.331 20.809 ( 1.656 -0.821 -0.685) 1.971 20.851 ( -1.651 -0.520 0.746) 1.885 21.568 ( -0.083 -0.862 -0.040) 0.867 22.354 ( -0.307 5.406 -0.315) 5.424 22.951 ( -0.044 -1.410 -0.378) 1.460 23.212 ( -1.501 2.276 0.627) 2.797 23.519 ( 2.099 -5.158 -0.363) 5.581 24.155 ( -0.351 -1.392 0.324) 1.472 ======================= Grid point 29 (22/196) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 0.000 12.764 0.000) 12.764 1.415 ( 0.000 13.900 0.000) 13.900 1.610 ( 0.000 10.745 0.000) 10.745 1.935 ( -0.000 -1.824 -0.000) 1.824 1.953 ( -0.000 -4.883 -0.000) 4.883 2.596 ( -0.000 -0.579 -0.000) 0.579 2.823 ( -0.000 -9.386 -0.000) 9.386 3.017 ( 0.000 0.201 0.000) 0.201 3.320 ( 0.000 0.543 0.000) 0.543 3.531 ( 0.000 4.532 0.000) 4.532 4.147 ( -0.000 -2.687 -0.000) 2.687 4.517 ( 0.000 13.336 0.000) 13.336 4.536 ( 0.000 0.642 0.000) 0.642 5.474 ( -0.000 -11.271 -0.000) 11.271 5.631 ( -0.000 -3.834 -0.000) 3.834 5.672 ( -0.000 -0.590 -0.000) 0.590 6.298 ( 0.000 3.059 0.000) 3.059 6.667 ( 0.000 20.836 0.000) 20.836 7.262 ( 0.000 0.295 0.000) 0.295 7.571 ( -0.000 -18.633 -0.000) 18.633 7.760 ( 0.000 7.680 0.000) 7.680 8.502 ( -0.000 -2.320 -0.000) 2.320 8.856 ( -0.000 -2.946 -0.000) 2.946 8.892 ( -0.000 -5.857 -0.000) 5.857 9.575 ( -0.000 -4.022 -0.000) 4.022 9.671 ( 0.000 0.077 0.000) 0.077 10.853 ( 0.000 4.438 0.000) 4.438 11.207 ( -0.000 -1.683 -0.000) 1.683 11.277 ( 0.000 6.931 0.000) 6.931 12.423 ( -0.000 -2.608 -0.000) 2.608 12.651 ( 0.000 0.156 0.000) 0.156 12.877 ( -0.000 -2.594 -0.000) 2.594 13.146 ( 0.000 2.674 0.000) 2.674 13.290 ( -0.000 -0.037 -0.000) 0.037 14.167 ( 0.000 1.842 0.000) 1.842 15.078 ( -0.000 -0.106 -0.000) 0.106 15.199 ( 0.000 1.120 0.000) 1.120 15.489 ( -0.000 -1.845 -0.000) 1.845 16.319 ( -0.000 -5.428 -0.000) 5.428 17.316 ( 0.000 10.326 0.000) 10.326 20.807 ( 0.000 4.591 0.000) 4.591 20.849 ( -0.000 -2.752 -0.000) 2.752 21.564 ( 0.000 1.280 0.000) 1.280 22.293 ( 0.000 1.029 0.000) 1.029 22.999 ( -0.000 -3.946 -0.000) 3.946 23.182 ( 0.000 0.662 0.000) 0.662 23.620 ( -0.000 -5.308 -0.000) 5.308 24.157 ( 0.000 1.028 0.000) 1.028 ======================= Grid point 34 (23/196) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 10.226 -0.000 6.095) 11.904 0.950 ( 17.196 -0.000 3.799) 17.611 1.302 ( 17.018 -0.000 2.711) 17.233 2.083 ( 1.197 -0.000 -2.546) 2.813 2.447 ( -8.159 0.000 -3.020) 8.700 2.516 ( -3.593 0.000 -5.547) 6.609 2.832 ( -5.393 0.000 -2.476) 5.934 3.066 ( 4.818 -0.000 -6.889) 8.407 3.369 ( 0.318 -0.000 1.436) 1.471 3.616 ( 7.588 -0.000 6.895) 10.253 4.166 ( -0.600 0.000 -0.143) 0.617 4.191 ( -3.501 0.000 -0.194) 3.507 4.566 ( 1.009 -0.000 -0.707) 1.232 5.464 ( -1.067 0.000 0.226) 1.091 5.486 ( -3.111 0.000 -2.563) 4.031 5.806 ( -2.264 0.000 0.056) 2.265 6.048 ( 0.699 -0.000 0.418) 0.815 6.113 ( -0.379 0.000 0.363) 0.525 7.027 ( -4.195 0.000 -2.139) 4.709 7.827 ( 7.083 -0.000 2.639) 7.558 8.214 ( -0.138 0.000 -11.108) 11.108 8.468 ( -4.722 0.000 9.749) 10.833 9.066 ( 2.230 -0.000 0.786) 2.364 9.780 ( -0.910 0.000 -1.725) 1.950 9.903 ( -1.552 0.000 0.908) 1.798 9.944 ( -0.934 0.000 7.982) 8.037 10.189 ( 1.361 -0.000 -5.421) 5.589 10.289 ( -2.816 0.000 0.015) 2.816 11.257 ( -1.555 0.000 0.719) 1.713 12.565 ( -4.172 0.000 -1.316) 4.374 12.615 ( -2.509 0.000 2.876) 3.817 12.764 ( 1.149 -0.000 -1.747) 2.091 13.319 ( 2.207 -0.000 1.142) 2.485 13.402 ( 4.747 -0.000 1.016) 4.854 14.037 ( 2.491 -0.000 -5.263) 5.823 15.097 ( -0.003 0.000 -0.036) 0.036 15.264 ( 2.321 -0.000 1.699) 2.876 15.751 ( -0.564 0.000 0.202) 0.599 16.483 ( -8.548 0.000 -7.040) 11.074 17.803 ( 1.965 -0.000 1.440) 2.436 20.456 ( 1.067 -0.000 -1.651) 1.966 21.140 ( -1.079 0.000 1.740) 2.048 21.183 ( -3.048 0.000 -0.897) 3.177 22.831 ( 8.360 -0.000 5.498) 10.006 23.139 ( 1.559 -0.000 0.431) 1.617 23.142 ( -2.533 0.000 -2.485) 3.549 23.583 ( 1.306 -0.000 3.867) 4.081 23.681 ( -6.103 0.000 -1.142) 6.209 ======================= Grid point 35 (24/196) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 7.734 -8.976 4.280) 12.598 1.141 ( 15.104 -4.496 3.781) 16.207 1.472 ( 10.677 -4.488 1.479) 11.676 2.018 ( 0.117 5.999 -2.494) 6.498 2.326 ( -8.634 4.318 -4.963) 10.855 2.563 ( 0.051 -7.595 -3.855) 8.518 2.772 ( -4.719 1.058 -2.267) 5.341 3.081 ( 3.585 0.428 -5.016) 6.180 3.351 ( 0.205 2.366 1.879) 3.028 3.723 ( 6.588 -2.290 5.736) 9.030 4.134 ( -1.399 2.100 0.989) 2.710 4.170 ( -2.916 -0.788 -1.380) 3.321 4.563 ( 0.726 0.759 -1.001) 1.451 5.470 ( -0.192 -1.087 0.467) 1.198 5.551 ( -2.438 -10.454 -2.288) 10.976 5.772 ( -2.554 1.388 0.108) 2.909 6.066 ( -1.073 1.577 0.891) 2.105 6.096 ( 1.317 -1.020 -0.196) 1.677 7.003 ( -2.599 -1.401 -1.696) 3.405 7.895 ( 5.855 -0.837 2.133) 6.288 8.195 ( 0.352 -0.893 -10.190) 10.235 8.404 ( -4.976 5.381 8.699) 11.375 9.062 ( 1.445 2.510 0.425) 2.927 9.587 ( 2.287 16.201 2.793) 16.598 9.819 ( -2.607 10.796 -1.263) 11.178 9.887 ( -2.609 2.152 0.083) 3.383 10.266 ( 1.711 -11.933 1.169) 12.111 10.528 ( -2.291 -18.562 -0.974) 18.728 11.237 ( -1.272 1.011 0.517) 1.705 12.526 ( -4.391 -0.219 -1.092) 4.530 12.642 ( -1.103 -3.365 2.227) 4.183 12.765 ( 0.877 0.208 -1.034) 1.372 13.305 ( 2.361 4.187 1.158) 4.944 13.407 ( 3.455 3.138 0.805) 4.736 14.059 ( 2.249 -1.608 -4.203) 5.031 15.103 ( 0.061 -0.674 -0.049) 0.679 15.296 ( 2.451 -0.789 1.558) 3.009 15.714 ( -0.910 3.565 -0.072) 3.680 16.386 ( -7.654 1.495 -6.166) 9.942 17.740 ( 5.240 8.056 1.920) 9.800 20.491 ( 0.520 -3.397 -0.411) 3.461 21.033 ( -1.638 6.022 0.598) 6.269 21.267 ( -1.675 -6.748 -0.032) 6.953 22.864 ( 5.935 5.182 4.817) 9.235 23.125 ( -0.380 -2.441 -0.942) 2.643 23.151 ( 0.449 1.754 -1.050) 2.093 23.560 ( -3.227 3.035 -0.941) 4.529 23.720 ( -1.968 -8.079 1.858) 8.520 ======================= Grid point 36 (25/196) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 4.726 -13.059 2.148) 14.053 1.350 ( 12.265 -4.836 3.450) 13.628 1.619 ( 1.759 -5.985 -0.715) 6.279 1.902 ( -0.434 5.691 -1.798) 5.984 2.163 ( -4.466 6.166 -4.548) 8.869 2.673 ( 0.584 -1.175 -1.753) 2.190 2.732 ( -2.299 -3.504 -2.954) 5.127 3.084 ( 2.211 0.843 -2.728) 3.611 3.313 ( -0.379 2.137 2.470) 3.288 3.797 ( 3.262 0.693 3.626) 4.926 4.109 ( -0.848 -0.754 1.818) 2.143 4.166 ( -2.023 -1.978 -2.021) 3.476 4.552 ( 0.364 0.536 -1.064) 1.246 5.499 ( 0.121 -2.113 0.501) 2.175 5.698 ( -0.809 0.926 -0.753) 1.442 5.811 ( -2.234 -16.806 -0.691) 16.968 5.968 ( -0.580 7.701 0.738) 7.758 6.167 ( 0.496 -4.592 0.047) 4.619 7.028 ( -1.197 -3.576 -1.217) 3.963 7.959 ( 4.113 -1.120 1.358) 4.474 8.173 ( 5.028 6.005 -12.050) 14.372 8.270 ( -8.418 2.834 10.770) 13.960 9.003 ( 0.490 4.925 -0.273) 4.957 9.316 ( 2.207 16.868 3.420) 17.352 9.630 ( -2.095 6.835 -2.309) 7.513 9.832 ( -1.545 2.485 0.385) 2.951 10.505 ( 1.183 -12.624 0.610) 12.694 10.829 ( -1.631 -17.044 -0.116) 17.122 11.206 ( -0.743 1.542 0.228) 1.727 12.488 ( -2.664 1.125 -0.687) 2.972 12.699 ( -0.164 -1.594 0.279) 1.626 12.793 ( -0.641 -4.802 0.668) 4.890 13.215 ( 2.067 8.126 0.824) 8.426 13.374 ( 1.748 2.977 0.540) 3.494 14.104 ( 1.727 -2.382 -2.673) 3.975 15.124 ( 0.238 -1.574 -0.029) 1.592 15.334 ( 3.101 -0.315 1.536) 3.475 15.611 ( -2.091 6.472 -0.726) 6.840 16.278 ( -6.154 2.317 -4.592) 8.021 17.669 ( 6.808 6.091 2.554) 9.485 20.576 ( 0.122 -5.797 0.136) 5.800 20.928 ( -1.060 4.657 0.289) 4.785 21.371 ( -0.985 -6.162 -0.119) 6.241 22.785 ( 3.255 8.589 4.201) 10.100 23.085 ( -0.297 4.695 -1.972) 5.101 23.203 ( 0.146 -5.585 -0.669) 5.627 23.465 ( -2.223 4.326 -1.173) 5.004 23.869 ( -1.280 -8.974 1.246) 9.151 ======================= Grid point 37 (26/196) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 1.821 -11.326 2.072) 11.657 1.521 ( 7.050 -5.303 0.631) 8.844 1.709 ( -2.901 -5.391 -2.331) 6.550 1.817 ( 0.043 2.982 -0.373) 3.005 2.015 ( -0.957 7.191 -1.906) 7.501 2.637 ( -1.112 1.868 -0.975) 2.382 2.773 ( 0.709 0.663 -1.548) 1.827 3.074 ( 1.087 1.402 -0.427) 1.824 3.292 ( -0.423 0.198 1.317) 1.398 3.774 ( 0.345 3.612 1.377) 3.881 4.126 ( -0.461 -0.183 0.324) 0.593 4.250 ( -0.333 -10.064 -0.367) 10.076 4.547 ( 0.049 0.048 -0.567) 0.571 5.546 ( 0.244 -2.846 0.392) 2.883 5.642 ( -0.658 3.657 -0.092) 3.717 5.790 ( -0.009 11.459 0.132) 11.460 6.169 ( -0.834 -23.082 -0.294) 23.098 6.250 ( 0.103 -4.259 0.035) 4.260 7.096 ( -0.435 -4.889 -0.559) 4.940 7.949 ( 0.738 16.651 -1.260) 16.715 7.999 ( 1.973 0.378 0.427) 2.054 8.282 ( -2.247 -4.433 0.683) 5.016 8.909 ( 0.089 5.296 -0.545) 5.325 9.071 ( 0.877 12.611 1.931) 12.788 9.530 ( -0.803 2.942 -1.020) 3.216 9.777 ( -0.655 2.784 0.217) 2.868 10.717 ( 0.534 -10.077 0.147) 10.092 11.087 ( -0.708 -13.088 0.088) 13.107 11.177 ( -0.190 1.234 0.074) 1.251 12.442 ( -1.251 1.979 -0.274) 2.357 12.696 ( 0.295 1.172 -0.218) 1.228 12.918 ( -0.716 -8.492 0.884) 8.568 13.075 ( 0.668 8.589 0.079) 8.615 13.338 ( 0.708 2.236 0.268) 2.360 14.150 ( 0.904 -2.109 -1.140) 2.562 15.160 ( 0.357 -2.082 0.065) 2.114 15.358 ( 5.295 2.978 2.166) 6.449 15.463 ( -4.970 5.403 -1.906) 7.585 16.195 ( -3.543 1.136 -2.402) 4.429 17.637 ( 4.256 4.160 1.816) 6.222 20.688 ( 0.136 -6.485 0.087) 6.487 20.855 ( -0.562 2.879 0.072) 2.934 21.463 ( -0.391 -4.886 -0.091) 4.903 22.649 ( 1.235 9.773 2.253) 10.105 22.997 ( -0.387 3.802 -1.541) 4.121 23.287 ( -1.235 -2.949 -0.303) 3.212 23.388 ( 0.749 1.864 -0.379) 2.044 24.005 ( -0.696 -7.028 0.485) 7.079 ======================= Grid point 38 (27/196) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -0.000 -1.667 -0.000) 1.667 1.648 ( -0.000 -2.143 -0.000) 2.143 1.757 ( -0.000 -1.586 -0.000) 1.586 1.823 ( -0.000 -2.295 -0.000) 2.295 1.898 ( 0.000 2.815 0.000) 2.815 2.605 ( 0.000 1.113 0.000) 1.113 2.717 ( 0.000 4.105 0.000) 4.105 3.052 ( 0.000 1.524 0.000) 1.524 3.305 ( -0.000 -1.312 -0.000) 1.312 3.701 ( 0.000 4.773 0.000) 4.773 4.117 ( 0.000 0.639 0.000) 0.639 4.475 ( -0.000 -13.991 -0.000) 13.991 4.547 ( -0.000 -0.024 -0.000) 0.024 5.511 ( 0.000 11.729 0.000) 11.729 5.601 ( -0.000 -2.981 -0.000) 2.981 5.635 ( 0.000 3.921 0.000) 3.921 6.310 ( -0.000 -2.364 -0.000) 2.364 6.580 ( -0.000 -22.994 -0.000) 22.994 7.179 ( -0.000 -4.507 -0.000) 4.507 7.627 ( 0.000 19.035 0.000) 19.035 7.978 ( 0.000 3.360 0.000) 3.360 8.359 ( -0.000 -4.890 -0.000) 4.890 8.835 ( 0.000 2.678 0.000) 2.678 8.907 ( 0.000 6.565 0.000) 6.565 9.500 ( 0.000 0.085 0.000) 0.085 9.726 ( 0.000 2.615 0.000) 2.615 10.857 ( -0.000 -5.248 -0.000) 5.248 11.165 ( -0.000 -0.080 -0.000) 0.080 11.268 ( -0.000 -7.420 -0.000) 7.420 12.404 ( 0.000 1.450 0.000) 1.450 12.675 ( 0.000 1.168 0.000) 1.168 12.941 ( 0.000 6.287 0.000) 6.287 13.060 ( -0.000 -7.111 -0.000) 7.111 13.310 ( 0.000 1.354 0.000) 1.354 14.182 ( -0.000 -1.053 -0.000) 1.053 15.195 ( -0.000 -1.472 -0.000) 1.472 15.252 ( 0.000 9.119 0.000) 9.119 15.424 ( -0.000 -1.597 -0.000) 1.597 16.179 ( -0.000 -1.589 -0.000) 1.589 17.581 ( 0.000 4.858 0.000) 4.858 20.794 ( -0.000 -4.851 -0.000) 4.851 20.818 ( 0.000 1.045 0.000) 1.045 21.532 ( -0.000 -3.057 -0.000) 3.057 22.486 ( 0.000 9.088 0.000) 9.088 22.948 ( 0.000 1.234 0.000) 1.234 23.257 ( 0.000 3.236 0.000) 3.236 23.437 ( -0.000 -4.774 -0.000) 4.774 24.103 ( -0.000 -4.293 -0.000) 4.293 ======================= Grid point 45 (28/196) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 5.765 -0.000 3.710) 6.855 1.227 ( 12.982 -0.000 3.726) 13.506 1.528 ( 8.910 -0.000 1.208) 8.992 2.086 ( 0.611 -0.000 -1.836) 1.935 2.271 ( -9.054 0.000 -4.747) 10.223 2.454 ( -1.658 0.000 -2.384) 2.904 2.743 ( -3.600 0.000 -1.726) 3.993 3.100 ( 2.737 -0.000 -4.226) 5.035 3.383 ( 0.443 -0.000 1.009) 1.102 3.777 ( 7.433 -0.000 5.220) 9.083 4.120 ( -4.579 0.000 -0.879) 4.663 4.158 ( -0.290 0.000 -0.016) 0.291 4.575 ( 0.530 -0.000 -0.576) 0.783 5.427 ( -2.221 0.000 -1.932) 2.943 5.463 ( 0.471 -0.000 0.483) 0.674 5.765 ( -2.322 0.000 -0.201) 2.331 6.054 ( -0.091 0.000 0.405) 0.415 6.114 ( 0.310 -0.000 0.034) 0.312 6.967 ( -2.006 0.000 -1.144) 2.309 7.934 ( 4.217 -0.000 1.595) 4.509 8.157 ( -1.144 0.000 -5.652) 5.767 8.443 ( -2.556 0.000 4.464) 5.144 9.097 ( 1.157 -0.000 0.284) 1.191 9.787 ( 1.618 -0.000 0.157) 1.625 9.876 ( -1.709 0.000 0.270) 1.730 9.971 ( -0.027 0.000 4.296) 4.296 10.187 ( 0.902 -0.000 -2.738) 2.883 10.231 ( -3.360 0.000 -0.706) 3.433 11.238 ( -0.989 0.000 0.448) 1.086 12.476 ( -4.188 0.000 -0.520) 4.221 12.622 ( 0.295 -0.000 1.431) 1.461 12.774 ( 0.741 -0.000 -0.812) 1.099 13.356 ( 1.403 -0.000 0.860) 1.646 13.472 ( 2.925 -0.000 0.564) 2.979 14.051 ( 1.699 -0.000 -3.106) 3.540 15.098 ( 0.109 -0.000 0.042) 0.117 15.307 ( 1.724 -0.000 1.216) 2.110 15.742 ( -0.495 0.000 0.070) 0.500 16.330 ( -5.616 0.000 -4.670) 7.304 17.836 ( 1.387 -0.000 0.211) 1.403 20.464 ( 0.425 -0.000 -0.252) 0.494 21.134 ( -0.613 0.000 1.113) 1.271 21.136 ( -1.982 0.000 -0.525) 2.051 22.957 ( 3.672 -0.000 3.126) 4.822 23.098 ( -1.360 0.000 -1.589) 2.092 23.192 ( 4.172 -0.000 1.343) 4.383 23.574 ( -5.601 0.000 -1.582) 5.820 23.615 ( 0.694 -0.000 1.864) 1.989 ======================= Grid point 46 (29/196) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 2.813 -8.158 1.733) 8.801 1.374 ( 9.118 -5.044 3.007) 10.846 1.575 ( 1.673 0.521 -0.522) 1.828 2.008 ( -0.211 6.640 -0.950) 6.711 2.183 ( -4.548 1.865 -2.932) 5.723 2.547 ( -0.170 -9.651 -1.322) 9.743 2.704 ( -2.003 1.261 -0.907) 2.535 3.105 ( 1.388 0.451 -2.068) 2.531 3.363 ( 0.244 2.478 0.807) 2.617 3.844 ( 4.221 0.133 2.963) 5.159 4.093 ( -3.024 -1.029 -0.137) 3.198 4.139 ( -0.270 1.283 -0.602) 1.442 4.567 ( 0.251 0.932 -0.453) 1.066 5.468 ( -0.342 -2.199 -0.104) 2.228 5.522 ( -0.175 -10.067 -0.572) 10.085 5.735 ( -1.480 1.462 -0.060) 2.081 6.056 ( -0.398 1.777 0.312) 1.848 6.111 ( 0.489 -1.172 -0.052) 1.271 6.969 ( -0.843 -1.869 -0.605) 2.138 7.971 ( 2.221 -0.786 0.811) 2.492 8.155 ( -0.427 -1.902 -3.441) 3.955 8.379 ( -1.604 6.312 2.748) 7.069 9.079 ( 0.468 2.939 0.026) 2.976 9.659 ( 4.019 16.395 3.304) 17.201 9.752 ( -3.909 11.264 -2.632) 12.210 9.854 ( -1.108 1.328 0.062) 1.730 10.300 ( 1.283 -11.223 0.681) 11.317 10.489 ( -1.490 -19.568 -0.579) 19.633 11.224 ( -0.487 0.937 0.203) 1.076 12.463 ( -2.075 -1.172 -0.382) 2.413 12.646 ( 0.014 -2.361 0.796) 2.491 12.773 ( 0.367 0.320 -0.332) 0.590 13.337 ( 0.869 3.637 0.486) 3.771 13.452 ( 1.359 3.874 0.293) 4.116 14.072 ( 0.951 -1.707 -1.545) 2.491 15.105 ( 0.088 -0.685 0.016) 0.691 15.334 ( 1.140 -1.333 0.714) 1.894 15.701 ( -0.510 4.297 -0.110) 4.328 16.269 ( -3.125 1.747 -2.501) 4.367 17.804 ( 1.759 4.287 0.465) 4.657 20.495 ( 0.148 -3.297 0.017) 3.300 21.015 ( -0.674 5.921 0.195) 5.963 21.248 ( -0.613 -6.859 0.056) 6.886 22.939 ( 1.380 5.151 1.503) 5.541 23.118 ( -0.089 -3.577 -0.317) 3.592 23.175 ( 1.696 5.080 0.343) 5.366 23.504 ( -2.074 2.377 -1.076) 3.333 23.709 ( -0.481 -8.015 0.874) 8.077 ======================= Grid point 47 (30/196) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -0.000 -12.497 -0.000) 12.497 1.541 ( 0.000 1.036 0.000) 1.036 1.555 ( -0.000 -8.347 -0.000) 8.347 1.894 ( 0.000 5.556 0.000) 5.556 2.111 ( 0.000 4.393 0.000) 4.393 2.665 ( 0.000 1.952 0.000) 1.952 2.711 ( -0.000 -7.552 -0.000) 7.552 3.096 ( 0.000 0.836 0.000) 0.836 3.318 ( 0.000 2.449 0.000) 2.449 3.837 ( 0.000 2.734 0.000) 2.734 4.110 ( -0.000 -1.530 -0.000) 1.530 4.137 ( -0.000 -2.488 -0.000) 2.488 4.552 ( 0.000 0.643 0.000) 0.643 5.502 ( -0.000 -2.237 -0.000) 2.237 5.692 ( 0.000 2.560 0.000) 2.560 5.787 ( -0.000 -19.069 -0.000) 19.069 5.965 ( 0.000 7.846 0.000) 7.846 6.171 ( -0.000 -4.436 -0.000) 4.436 7.015 ( -0.000 -3.785 -0.000) 3.785 7.998 ( -0.000 -0.967 -0.000) 0.967 8.199 ( -0.000 -3.664 -0.000) 3.664 8.211 ( 0.000 12.261 0.000) 12.261 9.006 ( 0.000 5.234 0.000) 5.234 9.350 ( 0.000 17.843 0.000) 17.843 9.601 ( 0.000 5.786 0.000) 5.786 9.819 ( 0.000 2.228 0.000) 2.228 10.519 ( -0.000 -12.264 -0.000) 12.264 10.813 ( -0.000 -17.415 -0.000) 17.415 11.201 ( 0.000 1.437 0.000) 1.437 12.461 ( 0.000 0.657 0.000) 0.657 12.699 ( -0.000 -1.912 -0.000) 1.912 12.791 ( -0.000 -3.968 -0.000) 3.968 13.235 ( 0.000 8.187 0.000) 8.187 13.390 ( 0.000 3.278 0.000) 3.278 14.112 ( -0.000 -2.416 -0.000) 2.416 15.126 ( -0.000 -1.698 -0.000) 1.698 15.369 ( -0.000 -1.717 -0.000) 1.717 15.587 ( 0.000 8.038 0.000) 8.038 16.212 ( 0.000 2.511 0.000) 2.511 17.733 ( 0.000 4.637 0.000) 4.637 20.578 ( -0.000 -5.757 -0.000) 5.757 20.919 ( 0.000 4.590 0.000) 4.590 21.362 ( -0.000 -6.249 -0.000) 6.249 22.824 ( 0.000 8.557 0.000) 8.557 23.078 ( 0.000 5.690 0.000) 5.690 23.200 ( -0.000 -5.339 -0.000) 5.339 23.445 ( 0.000 3.463 0.000) 3.463 23.861 ( -0.000 -8.824 -0.000) 8.824 ======================= Grid point 58 (31/196) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 0.000 -0.000 -0.000) 0.000 1.360 ( 0.000 -0.000 -0.000) 0.000 1.605 ( 0.000 -0.000 0.000) 0.000 2.086 ( 0.000 -0.000 0.000) 0.000 2.167 ( 0.000 -0.000 0.000) 0.000 2.434 ( 0.000 -0.000 0.000) 0.000 2.707 ( 0.000 -0.000 0.000) 0.000 3.112 ( 0.000 -0.000 -0.000) 0.000 3.390 ( 0.000 -0.000 -0.000) 0.000 3.872 ( -0.000 0.000 0.000) 0.000 4.062 ( 0.000 -0.000 0.000) 0.000 4.156 ( 0.000 -0.000 0.000) 0.000 4.578 ( 0.000 -0.000 -0.000) 0.000 5.402 ( 0.000 -0.000 0.000) 0.000 5.471 ( 0.000 -0.000 0.000) 0.000 5.742 ( 0.000 -0.000 0.000) 0.000 6.054 ( 0.000 -0.000 0.000) 0.000 6.118 ( 0.000 -0.000 0.000) 0.000 6.948 ( 0.000 -0.000 0.000) 0.000 7.974 ( 0.000 -0.000 0.000) 0.000 8.130 ( 0.000 -0.000 -0.000) 0.000 8.433 ( 0.000 -0.000 0.000) 0.000 9.107 ( 0.000 -0.000 -0.000) 0.000 9.807 ( 0.000 -0.000 0.000) 0.000 9.861 ( 0.000 -0.000 0.000) 0.000 9.983 ( 0.000 -0.000 0.000) 0.000 10.188 ( 0.000 -0.000 0.000) 0.000 10.196 ( 0.000 -0.000 0.000) 0.000 11.231 ( 0.000 -0.000 0.000) 0.000 12.438 ( 0.000 -0.000 0.000) 0.000 12.629 ( 0.000 -0.000 0.000) 0.000 12.778 ( 0.000 -0.000 0.000) 0.000 13.370 ( 0.000 -0.000 0.000) 0.000 13.498 ( 0.000 -0.000 0.000) 0.000 14.057 ( 0.000 -0.000 0.000) 0.000 15.100 ( 0.000 -0.000 0.000) 0.000 15.326 ( 0.000 -0.000 0.000) 0.000 15.738 ( 0.000 -0.000 0.000) 0.000 16.269 ( 0.000 -0.000 0.000) 0.000 17.849 ( 0.000 -0.000 0.000) 0.000 20.467 ( 0.000 -0.000 0.000) 0.000 21.118 ( 0.000 -0.000 -0.000) 0.000 21.132 ( 0.000 -0.000 0.000) 0.000 22.992 ( 0.000 -0.000 0.000) 0.000 23.083 ( 0.000 -0.000 0.000) 0.000 23.247 ( 0.000 -0.000 0.000) 0.000 23.511 ( 0.000 -0.000 0.000) 0.000 23.625 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/196) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 4.214 -0.000 19.342) 19.796 0.442 ( -4.418 0.000 21.037) 21.496 0.494 ( -2.042 0.000 24.284) 24.370 2.161 ( -3.804 0.000 -5.162) 6.412 2.344 ( 2.586 -0.000 -17.653) 17.841 2.749 ( 5.852 -0.000 -10.519) 12.038 2.940 ( -10.386 0.000 5.731) 11.863 3.101 ( 6.853 -0.000 3.365) 7.634 3.146 ( 3.796 -0.000 2.532) 4.563 3.602 ( -6.111 0.000 18.459) 19.444 4.205 ( -0.945 0.000 0.027) 0.946 4.263 ( 0.904 -0.000 -0.707) 1.148 4.428 ( 2.849 -0.000 -7.129) 7.677 5.648 ( -2.712 0.000 2.670) 3.806 5.657 ( -2.064 0.000 5.371) 5.753 5.849 ( 0.070 -0.000 4.666) 4.666 5.922 ( 2.723 -0.000 -10.127) 10.487 6.164 ( 1.641 -0.000 -1.992) 2.581 7.122 ( -0.087 0.000 -2.141) 2.143 7.538 ( 1.934 -0.000 7.643) 7.884 8.023 ( 2.406 -0.000 -18.093) 18.253 8.747 ( -0.416 0.000 15.183) 15.188 8.895 ( 1.833 -0.000 -7.582) 7.800 9.729 ( 14.233 -0.000 -4.240) 14.851 9.882 ( 1.770 -0.000 0.305) 1.796 9.974 ( -3.865 0.000 -2.655) 4.689 10.306 ( 1.455 -0.000 3.806) 4.075 10.318 ( -8.412 0.000 2.278) 8.715 11.373 ( -1.780 0.000 6.393) 6.636 12.527 ( 2.129 -0.000 -2.928) 3.620 12.660 ( 0.055 -0.000 -0.498) 0.501 12.783 ( 2.136 -0.000 -7.223) 7.532 13.215 ( -0.458 0.000 0.210) 0.504 13.222 ( 0.570 -0.000 -0.581) 0.814 14.137 ( -7.554 0.000 10.616) 13.030 15.104 ( -1.193 0.000 -0.442) 1.272 15.170 ( 1.364 -0.000 -0.470) 1.443 15.328 ( 19.365 -0.000 -3.607) 19.697 16.519 ( 17.614 -0.000 1.876) 17.714 16.853 ( -4.941 0.000 -0.923) 5.026 21.167 ( 0.820 -0.000 0.348) 0.891 21.274 ( -0.170 0.000 -2.064) 2.071 22.465 ( 3.799 -0.000 1.674) 4.152 22.568 ( -54.200 0.000 -1.271) 54.215 23.124 ( 0.189 -0.000 0.315) 0.367 23.306 ( -2.345 0.000 -1.192) 2.631 23.713 ( 5.837 -0.000 1.769) 6.099 23.873 ( -0.208 0.000 -0.287) 0.354 ======================= Grid point 106 (33/196) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 7.118 -7.661 10.930) 15.127 0.666 ( 6.283 -14.414 14.199) 21.186 0.869 ( 2.571 -20.218 19.025) 27.881 2.060 ( -3.239 4.403 -0.789) 5.523 2.295 ( 3.444 4.092 -15.937) 16.810 2.727 ( -3.212 2.463 -12.679) 13.309 2.803 ( 1.236 5.567 2.977) 6.433 3.094 ( -5.283 0.968 5.340) 7.573 3.310 ( 11.324 -5.385 -0.030) 12.539 3.605 ( -6.045 -0.607 17.935) 18.936 4.176 ( -1.042 1.378 0.267) 1.749 4.275 ( -0.333 -0.682 0.626) 0.984 4.434 ( 2.927 0.109 -6.842) 7.443 5.616 ( -3.842 0.484 1.614) 4.195 5.732 ( -2.685 -8.470 3.784) 9.657 5.846 ( 0.673 1.910 4.713) 5.130 5.932 ( 3.625 -0.451 -8.130) 8.913 6.124 ( 0.047 2.833 -0.678) 2.914 7.112 ( -1.844 -0.796 -3.800) 4.298 7.592 ( 4.294 -1.397 7.714) 8.939 7.979 ( 2.782 2.302 -17.049) 17.428 8.758 ( -2.802 1.915 13.986) 14.392 8.906 ( 2.540 -0.427 -7.394) 7.830 9.678 ( 0.784 14.652 1.826) 14.786 9.765 ( 0.713 10.751 -3.060) 11.201 9.862 ( 3.255 3.298 -2.093) 5.085 10.411 ( -3.757 -12.933 0.078) 13.468 10.537 ( 0.049 -16.698 1.235) 16.744 11.368 ( -2.151 0.752 6.672) 7.050 12.545 ( 1.587 -0.573 -1.641) 2.354 12.660 ( 1.917 0.847 -0.749) 2.225 12.799 ( 0.913 -2.754 -8.258) 8.753 13.160 ( 1.105 4.413 0.527) 4.580 13.255 ( 0.312 -1.159 -0.577) 1.332 14.122 ( -6.731 -1.884 9.222) 11.571 15.104 ( -0.395 -0.757 -1.131) 1.417 15.187 ( 1.230 0.270 -1.454) 1.923 15.479 ( 15.303 -0.088 -8.659) 17.584 16.655 ( 17.373 5.243 -1.098) 18.180 16.837 ( 0.341 -3.161 -3.840) 4.985 21.102 ( -1.140 5.218 1.057) 5.445 21.331 ( -1.018 -4.996 -1.860) 5.427 21.523 ( -36.138 39.468 42.366) 68.254 22.493 ( 6.123 2.409 3.256) 7.341 23.145 ( -0.749 -0.776 -1.206) 1.618 23.236 ( -2.619 4.415 -2.369) 5.653 23.827 ( 1.267 -2.232 -1.037) 2.769 23.901 ( -9.851 -7.460 0.121) 12.357 ======================= Grid point 107 (34/196) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 10.251 -14.841 -0.456) 18.043 1.026 ( 3.632 -17.206 10.166) 20.312 1.280 ( 3.973 -17.724 14.746) 23.396 1.974 ( -2.995 2.790 0.784) 4.168 2.161 ( 2.258 9.178 -10.346) 14.014 2.622 ( -5.055 0.304 -10.517) 11.672 2.766 ( 5.809 3.137 -5.904) 8.857 3.038 ( -4.514 1.966 2.951) 5.740 3.468 ( 7.249 -2.739 3.501) 8.503 3.613 ( -3.803 -0.060 14.693) 15.177 4.179 ( -1.775 -3.612 2.336) 4.653 4.276 ( -1.068 0.496 2.634) 2.885 4.437 ( 2.572 -0.154 -7.145) 7.595 5.587 ( -3.143 -0.458 0.199) 3.182 5.795 ( -0.458 3.264 4.220) 5.354 5.867 ( 2.134 1.662 -6.978) 7.484 5.988 ( -0.741 -10.805 3.464) 11.371 6.107 ( 1.035 -1.741 -3.172) 3.764 7.112 ( -2.820 -2.724 -3.505) 5.258 7.696 ( 4.422 -3.732 7.383) 9.380 7.892 ( 3.365 5.951 -14.536) 16.063 8.711 ( -4.853 3.279 11.226) 12.662 8.896 ( 1.941 1.941 -5.445) 6.097 9.366 ( -3.052 16.559 4.788) 17.505 9.640 ( 1.628 6.240 -3.147) 7.176 9.812 ( 3.248 4.460 -3.411) 6.487 10.589 ( -4.097 -11.177 1.933) 12.060 10.846 ( 1.632 -16.108 -0.672) 16.204 11.345 ( -3.039 1.368 7.248) 7.977 12.548 ( 0.778 1.392 0.164) 1.603 12.660 ( 1.790 0.634 -0.486) 1.960 12.851 ( 1.160 -4.776 -9.714) 10.887 13.088 ( 1.274 4.841 1.467) 5.216 13.265 ( 0.219 0.057 -0.524) 0.571 14.139 ( -5.450 -3.063 8.275) 10.371 15.110 ( -0.074 -0.464 -2.239) 2.288 15.176 ( 2.512 2.037 -0.787) 3.328 15.531 ( 7.283 1.743 -6.481) 9.904 16.619 ( 0.948 4.899 -0.106) 4.991 16.940 ( 9.879 -3.216 -3.853) 11.080 20.973 ( -13.262 7.527 20.053) 25.192 21.029 ( -3.705 8.413 11.088) 14.403 21.415 ( -0.097 -4.633 -2.320) 5.183 22.497 ( 7.451 4.732 3.394) 9.456 23.093 ( -0.301 6.212 -4.501) 7.677 23.171 ( -1.222 -1.124 -0.369) 1.701 23.785 ( -5.398 3.048 1.635) 6.411 23.986 ( -3.767 -7.216 -0.562) 8.159 ======================= Grid point 108 (35/196) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 9.426 -13.684 -5.184) 17.406 1.363 ( -0.235 -16.322 8.038) 18.195 1.614 ( 4.402 -11.652 11.211) 16.758 1.885 ( -3.958 4.887 -2.684) 6.838 2.016 ( 0.504 4.796 -1.739) 5.127 2.568 ( -1.945 -0.476 -12.236) 12.399 2.753 ( 4.819 1.707 -5.115) 7.232 2.974 ( -2.276 2.197 0.854) 3.277 3.511 ( -1.486 2.606 12.189) 12.553 3.643 ( 3.613 -0.564 4.531) 5.822 4.244 ( -2.642 0.868 3.870) 4.765 4.308 ( -1.481 -9.868 3.785) 10.672 4.450 ( 2.292 -1.207 -7.049) 7.510 5.581 ( -1.699 -0.889 -0.362) 1.951 5.698 ( 1.063 9.342 -1.249) 9.485 5.775 ( -0.191 5.312 1.279) 5.467 6.130 ( 3.345 -2.831 -8.241) 9.334 6.292 ( -2.077 -18.858 1.671) 19.045 7.142 ( -2.126 -3.848 -3.180) 5.426 7.741 ( 3.801 10.492 -10.035) 15.008 7.826 ( 2.751 -4.610 7.298) 9.060 8.632 ( -6.030 3.295 9.193) 11.478 8.839 ( 0.566 3.804 -5.418) 6.645 9.110 ( -1.180 11.885 6.248) 13.478 9.548 ( 0.358 3.888 -3.634) 5.334 9.749 ( 2.792 4.259 -4.268) 6.645 10.751 ( -2.467 -9.308 2.728) 10.008 11.105 ( 1.195 -11.773 -0.792) 11.860 11.311 ( -3.765 1.359 7.748) 8.721 12.514 ( 0.381 2.794 0.908) 2.963 12.659 ( 0.984 0.861 -0.174) 1.319 12.909 ( 1.614 -1.543 -7.184) 7.523 13.043 ( 1.009 0.272 -1.146) 1.551 13.259 ( 0.240 0.635 -0.090) 0.685 14.180 ( -4.217 -3.569 8.007) 9.728 15.097 ( 1.839 2.083 -2.325) 3.623 15.167 ( 1.612 0.524 -0.675) 1.825 15.522 ( 3.073 2.108 -4.559) 5.888 16.535 ( -3.483 2.859 -0.692) 4.558 17.071 ( 9.540 -3.189 -2.734) 10.424 20.866 ( -7.124 0.715 12.718) 14.595 20.940 ( -1.224 3.394 5.044) 6.202 21.480 ( 0.073 -3.529 -2.746) 4.473 22.452 ( 6.671 7.623 -0.814) 10.162 22.977 ( 0.194 4.754 -3.553) 5.938 23.206 ( 1.111 -2.705 0.635) 2.993 23.672 ( -8.158 3.684 3.213) 9.510 24.071 ( -0.809 -4.639 -0.875) 4.790 ======================= Grid point 109 (36/196) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 7.316 -9.864 -7.688) 14.489 1.618 ( -2.773 -10.608 5.710) 12.362 1.732 ( -4.134 5.305 -6.310) 9.222 1.788 ( 1.452 -2.434 4.730) 5.514 2.022 ( 0.664 -3.757 8.302) 9.137 2.534 ( -0.439 0.273 -8.865) 8.880 2.745 ( 1.206 1.026 -3.745) 4.066 2.946 ( 1.777 0.733 0.855) 2.103 3.468 ( -3.401 2.677 12.437) 13.169 3.682 ( 3.082 0.713 1.891) 3.685 4.205 ( -2.441 1.705 4.473) 5.373 4.455 ( 2.263 -1.830 -5.157) 5.921 4.540 ( -1.946 -12.567 1.867) 12.854 5.475 ( 1.681 12.883 -2.853) 13.301 5.610 ( -0.617 -1.377 -1.085) 1.859 5.704 ( -1.549 3.213 5.192) 6.299 6.172 ( 4.169 -1.336 -11.454) 12.262 6.619 ( -0.917 -18.373 -2.270) 18.535 7.192 ( -0.785 -3.931 -2.104) 4.528 7.528 ( 2.601 13.592 -4.741) 14.628 7.935 ( 0.228 -3.346 7.592) 8.300 8.554 ( -5.218 2.304 7.204) 9.189 8.768 ( 0.550 2.563 -4.223) 4.970 8.956 ( -0.469 6.769 5.769) 8.906 9.496 ( 0.341 1.201 -3.977) 4.168 9.691 ( 2.210 3.154 -5.161) 6.440 10.878 ( -1.370 -5.664 2.718) 6.430 11.252 ( -0.850 -2.167 4.488) 5.056 11.299 ( -2.057 -3.075 3.050) 4.795 12.471 ( -0.115 2.200 1.179) 2.498 12.645 ( 0.520 1.167 -0.886) 1.555 12.893 ( 0.721 1.965 0.022) 2.094 13.081 ( 1.520 -3.053 -8.055) 8.747 13.250 ( 0.572 0.624 0.489) 0.978 14.231 ( -3.512 -3.265 8.503) 9.762 15.066 ( 2.652 2.673 -1.248) 3.967 15.174 ( 0.760 -0.403 -1.689) 1.895 15.495 ( 0.964 1.448 -3.742) 4.127 16.468 ( -5.605 0.041 -1.137) 5.719 17.183 ( 8.940 -1.242 -2.125) 9.272 20.836 ( -3.298 0.944 4.503) 5.661 20.925 ( -1.421 -0.911 6.631) 6.842 21.524 ( 0.400 -1.974 -2.959) 3.579 22.343 ( 4.938 8.128 -7.907) 12.368 22.918 ( 0.121 1.583 -1.210) 1.996 23.287 ( 3.476 -3.787 1.654) 5.400 23.550 ( -8.598 3.293 5.435) 10.692 24.128 ( 0.463 -2.267 -1.180) 2.598 ======================= Grid point 110 (37/196) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 1.702 3.847 -10.194) 11.028 1.590 ( -4.464 4.203 -9.640) 11.425 1.697 ( 0.003 -2.501 4.983) 5.575 1.901 ( -3.288 -8.479 7.899) 12.046 2.116 ( 0.918 -1.193 10.574) 10.680 2.507 ( -0.050 0.142 -5.995) 5.997 2.727 ( -0.525 -0.681 -5.102) 5.174 2.975 ( 3.049 -0.687 3.022) 4.347 3.439 ( -3.496 0.741 10.557) 11.146 3.679 ( 0.139 1.481 1.342) 2.004 4.178 ( -2.143 0.281 4.470) 4.966 4.471 ( 2.165 -0.195 -6.024) 6.404 4.691 ( -1.484 -1.265 3.342) 3.869 5.318 ( 1.357 1.684 -3.513) 4.126 5.621 ( 0.553 0.510 -1.918) 2.061 5.676 ( -1.588 -0.512 6.338) 6.554 6.183 ( 3.925 0.275 -12.838) 13.427 6.817 ( 1.919 -0.574 -6.184) 6.500 7.258 ( -0.283 -2.248 0.982) 2.470 7.357 ( 0.314 0.154 -1.820) 1.854 7.967 ( -2.834 1.060 7.196) 7.806 8.517 ( -2.276 0.147 6.159) 6.567 8.746 ( 1.360 -0.006 -2.558) 2.897 8.896 ( -0.636 0.820 4.527) 4.644 9.491 ( 0.759 -1.261 -3.665) 3.949 9.651 ( 1.471 1.358 -6.178) 6.494 10.926 ( -1.065 0.138 2.600) 2.813 11.258 ( -2.257 -0.294 8.830) 9.118 11.336 ( 0.156 0.449 -1.036) 1.140 12.450 ( -0.771 0.045 1.284) 1.498 12.629 ( 0.187 0.344 -1.888) 1.928 12.876 ( 0.481 0.693 1.678) 1.878 13.100 ( 1.616 -0.000 -9.537) 9.673 13.251 ( 1.005 0.228 0.907) 1.373 14.276 ( -3.443 -2.195 9.516) 10.356 15.048 ( 1.645 0.900 -0.994) 2.123 15.180 ( 0.706 -0.026 -2.096) 2.212 15.475 ( 0.183 0.070 -3.822) 3.827 16.440 ( -6.793 -3.027 -1.497) 7.586 17.239 ( 7.712 2.474 -1.315) 8.205 20.811 ( -1.513 0.629 3.290) 3.675 20.952 ( -1.383 -0.968 6.120) 6.349 21.540 ( 0.794 -0.207 -2.964) 3.076 22.239 ( 3.193 3.853 -11.532) 12.571 22.911 ( -0.187 -1.109 -0.988) 1.497 23.377 ( 1.645 -1.399 -2.156) 3.051 23.469 ( -4.486 -0.108 11.180) 12.047 24.152 ( 1.135 0.055 -1.141) 1.610 ======================= Grid point 111 (38/196) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -1.983 10.981 -9.916) 14.928 1.407 ( -4.937 9.527 -7.859) 13.301 1.755 ( -2.191 0.384 8.575) 8.859 2.005 ( -0.359 -1.531 8.320) 8.467 2.143 ( -4.571 -3.234 8.284) 9.999 2.497 ( 0.793 -0.420 -6.771) 6.830 2.747 ( 1.306 -3.037 -9.083) 9.667 3.024 ( 1.389 -1.517 4.425) 4.880 3.438 ( -3.845 -1.000 9.200) 10.021 3.644 ( -2.860 1.588 2.719) 4.254 4.185 ( -1.103 -1.197 3.871) 4.199 4.468 ( 1.983 0.877 -5.846) 6.235 4.560 ( -1.118 12.401 4.219) 13.147 5.439 ( 1.148 -12.038 -4.454) 12.887 5.607 ( 1.375 1.235 0.902) 2.057 5.711 ( -1.288 -2.802 3.298) 4.515 6.162 ( 3.296 1.562 -12.354) 12.881 6.630 ( 1.555 18.066 -1.734) 18.216 7.243 ( 1.194 1.854 0.124) 2.209 7.551 ( -0.290 -16.184 -4.721) 16.861 7.891 ( -5.029 5.332 6.118) 9.547 8.540 ( 0.227 -1.218 7.150) 7.257 8.775 ( 2.340 -2.418 -2.712) 4.322 8.943 ( -0.844 -5.381 4.416) 7.012 9.533 ( 1.244 -3.475 -2.618) 4.525 9.637 ( 0.608 -0.822 -7.128) 7.201 10.873 ( -0.525 5.582 2.902) 6.313 11.265 ( 0.170 5.585 -0.672) 5.628 11.283 ( -1.476 0.234 7.948) 8.087 12.464 ( -1.222 -2.097 1.188) 2.702 12.630 ( -0.292 -1.157 -2.263) 2.558 12.882 ( 2.142 0.382 -0.759) 2.305 13.063 ( 0.620 2.200 -7.257) 7.609 13.263 ( 1.172 -0.193 0.971) 1.534 14.296 ( -3.944 -0.541 10.669) 11.388 15.060 ( 0.306 -1.747 -1.552) 2.357 15.174 ( 0.708 0.788 -1.845) 2.128 15.473 ( -0.163 -0.943 -4.958) 5.050 16.452 ( -7.135 -5.286 -2.004) 9.103 17.212 ( 5.204 6.350 -0.277) 8.215 20.809 ( -0.223 -0.211 3.621) 3.634 20.964 ( -2.169 -0.340 8.112) 8.403 21.529 ( 1.125 1.541 -2.788) 3.378 22.214 ( 1.491 -2.054 -10.188) 10.500 22.949 ( -0.178 -3.841 -2.032) 4.349 23.332 ( -4.279 1.998 1.190) 4.870 23.551 ( 3.606 -3.620 7.027) 8.689 24.140 ( 1.691 2.295 -0.555) 2.905 ======================= Grid point 112 (39/196) ======================= q-point: (-0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -3.696 13.640 -8.965) 16.736 1.142 ( -4.757 14.093 -2.813) 15.138 1.618 ( -6.059 13.947 12.081) 19.421 2.029 ( -1.837 -0.999 6.902) 7.211 2.219 ( -5.784 -7.214 3.121) 9.759 2.512 ( 2.785 -2.439 -7.192) 8.088 2.788 ( 3.006 -2.323 -12.485) 13.051 3.072 ( -0.708 -2.192 5.127) 5.621 3.441 ( -4.832 -0.227 4.138) 6.366 3.603 ( -4.463 0.860 9.908) 10.901 4.208 ( 0.553 0.101 2.876) 2.931 4.347 ( -1.421 9.131 5.310) 10.658 4.458 ( 1.294 0.713 -6.819) 6.977 5.604 ( 3.096 0.055 -0.425) 3.126 5.648 ( 0.137 -8.992 -1.216) 9.075 5.772 ( -0.886 -5.209 -0.035) 5.284 6.121 ( 2.470 2.596 -9.658) 10.301 6.295 ( 0.261 19.392 1.994) 19.496 7.214 ( 1.666 2.931 0.295) 3.385 7.749 ( -5.697 5.957 4.136) 9.223 7.808 ( 0.657 -13.185 -9.482) 16.254 8.585 ( 0.770 -0.723 9.967) 10.022 8.847 ( 2.795 -3.624 -4.022) 6.093 9.096 ( -0.228 -11.231 4.865) 12.241 9.617 ( 1.502 -5.233 -1.479) 5.641 9.651 ( -0.381 -2.829 -7.390) 7.922 10.749 ( 1.029 9.235 2.892) 9.732 11.097 ( -0.065 11.797 -1.573) 11.901 11.311 ( -1.369 -1.176 8.222) 8.418 12.501 ( -1.105 -2.587 0.854) 2.939 12.648 ( -0.971 -1.862 -2.251) 3.078 12.869 ( 5.972 4.093 -7.851) 10.680 13.033 ( -2.091 -1.729 -0.260) 2.726 13.278 ( 1.048 -0.114 0.659) 1.243 14.284 ( -4.947 0.985 11.611) 12.659 15.104 ( -0.114 -3.538 -2.332) 4.239 15.156 ( 0.512 1.292 -1.301) 1.904 15.469 ( -0.798 -0.462 -7.348) 7.406 16.487 ( -6.946 -5.537 -2.781) 9.308 17.108 ( 1.872 8.323 0.745) 8.564 20.841 ( -0.146 -2.548 7.800) 8.207 20.992 ( -3.591 -3.255 11.986) 12.929 21.490 ( 1.176 3.089 -2.381) 4.074 22.269 ( 0.166 -5.311 -6.138) 8.118 23.031 ( -0.040 -6.129 -2.774) 6.727 23.272 ( -3.138 1.620 1.712) 3.925 23.656 ( 4.639 -2.657 3.340) 6.304 24.099 ( 2.594 4.243 0.539) 5.002 ======================= Grid point 113 (40/196) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -5.481 15.424 -5.015) 17.120 0.830 ( -3.805 17.005 3.228) 17.722 1.274 ( -8.939 20.894 14.417) 26.913 2.048 ( -3.306 -2.272 4.537) 6.056 2.295 ( -3.193 -6.073 -6.727) 9.609 2.600 ( 4.724 -5.060 -3.688) 7.843 2.809 ( 1.322 -1.855 -10.972) 11.206 3.113 ( -2.444 -2.204 5.726) 6.604 3.359 ( -5.291 5.054 0.121) 7.318 3.602 ( -4.765 -0.355 17.249) 17.898 4.181 ( 0.498 2.542 2.491) 3.594 4.279 ( -0.956 0.399 2.662) 2.857 4.440 ( 1.563 0.559 -7.318) 7.504 5.623 ( 2.578 0.247 1.071) 2.802 5.758 ( -1.468 -4.485 2.409) 5.299 5.876 ( 1.396 -5.387 -6.921) 8.881 5.968 ( -0.308 14.804 2.685) 15.048 6.094 ( 1.482 2.481 -3.294) 4.382 7.174 ( 1.439 2.884 0.182) 3.228 7.611 ( -5.357 4.906 4.511) 8.551 7.974 ( 1.737 -7.717 -15.546) 17.442 8.635 ( 0.513 -1.103 13.367) 13.423 8.907 ( 1.954 -2.130 -5.438) 6.159 9.350 ( 1.831 -14.619 4.202) 15.321 9.691 ( -1.405 -5.009 -6.923) 8.660 9.728 ( 0.905 -6.104 -0.146) 6.173 10.586 ( 3.523 12.150 1.733) 12.769 10.855 ( -1.255 14.239 -0.847) 14.319 11.341 ( -1.358 -1.079 7.356) 7.558 12.530 ( -0.092 -0.936 -0.258) 0.976 12.661 ( -1.814 -1.602 -2.727) 3.646 12.817 ( 6.242 4.195 -8.428) 11.296 13.081 ( -1.676 -4.579 1.371) 5.066 13.282 ( 0.606 0.615 0.082) 0.867 14.244 ( -6.224 1.702 11.966) 13.595 15.133 ( 0.329 1.327 -0.623) 1.503 15.164 ( 0.556 -3.584 -2.949) 4.674 15.422 ( -1.662 2.455 -10.872) 11.269 16.499 ( -6.411 -2.457 -3.036) 7.507 16.979 ( -0.824 6.376 1.598) 6.625 20.961 ( 1.322 -7.339 7.002) 10.229 21.127 ( -8.686 -15.438 29.469) 34.383 21.429 ( 0.443 3.796 -1.279) 4.030 22.354 ( -0.277 -5.168 -2.232) 5.636 23.135 ( -0.162 -5.477 -2.193) 5.902 23.239 ( -1.821 -0.311 0.737) 1.989 23.731 ( 5.732 -0.425 -0.271) 5.754 24.041 ( 4.110 5.621 1.579) 7.140 ======================= Grid point 114 (41/196) ======================= q-point: (-0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( -6.255 9.149 8.967) 14.256 0.525 ( -1.862 15.661 11.555) 19.551 0.846 ( -10.188 22.561 18.051) 30.637 2.103 ( -1.335 -5.762 1.538) 6.112 2.343 ( 0.764 -3.494 -14.844) 15.269 2.710 ( 7.176 -1.983 -7.175) 10.339 2.850 ( -4.094 -7.266 -0.611) 8.363 3.135 ( -3.589 -1.199 6.527) 7.545 3.202 ( -1.683 8.962 1.664) 9.269 3.607 ( -5.616 0.342 18.689) 19.518 4.185 ( -0.076 -1.710 0.717) 1.855 4.270 ( 0.415 1.022 0.430) 1.184 4.428 ( 2.112 0.227 -7.451) 7.748 5.642 ( 0.098 -0.514 2.346) 2.404 5.742 ( -1.306 8.888 4.289) 9.955 5.819 ( -0.797 -2.359 3.826) 4.565 5.931 ( 2.035 -0.574 -9.707) 9.935 6.104 ( 2.390 -2.330 0.163) 3.342 7.140 ( -0.005 1.675 -0.146) 1.682 7.530 ( -2.654 1.741 6.230) 6.992 8.032 ( 2.132 -2.571 -18.192) 18.496 8.698 ( 0.296 -1.115 14.936) 14.981 8.919 ( 1.381 0.525 -7.541) 7.685 9.590 ( 5.700 -6.427 0.060) 8.591 9.801 ( 0.993 -8.422 -1.710) 8.651 9.849 ( -3.515 -10.365 -0.319) 10.949 10.387 ( 4.849 14.023 0.765) 14.858 10.585 ( -3.462 14.029 -0.613) 14.463 11.364 ( -1.576 -0.729 6.654) 6.877 12.530 ( 1.534 0.943 -2.523) 3.100 12.663 ( -2.209 -1.253 -2.132) 3.316 12.791 ( 4.508 1.810 -6.746) 8.313 13.156 ( -0.632 -4.353 0.525) 4.429 13.263 ( -0.141 1.783 -0.506) 1.859 14.189 ( -7.406 1.591 11.399) 13.687 15.114 ( -0.271 0.572 -0.069) 0.637 15.218 ( 0.011 -2.551 -4.438) 5.119 15.288 ( 3.095 8.941 -7.962) 12.366 16.462 ( -0.837 1.321 0.955) 1.833 16.897 ( -2.514 1.943 1.022) 3.337 21.092 ( 1.654 -5.318 0.388) 5.583 21.336 ( 1.133 4.554 -1.566) 4.947 21.788 ( -18.905 -61.279 48.744) 80.552 22.427 ( 0.486 -3.200 0.576) 3.287 23.167 ( -0.900 0.255 -0.960) 1.341 23.280 ( -1.532 -4.439 -0.884) 4.778 23.759 ( 9.695 4.298 -3.073) 11.042 23.967 ( 4.275 7.932 0.007) 9.011 ======================= Grid point 116 (42/196) ======================= q-point: ( 0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 7.861 -0.000 17.918) 19.567 0.572 ( 6.901 -0.000 17.111) 18.450 0.788 ( 15.137 -0.000 17.688) 23.281 2.076 ( -2.821 0.000 -2.355) 3.675 2.310 ( 4.376 -0.000 -17.012) 17.566 2.694 ( -5.798 0.000 -12.619) 13.887 2.869 ( -0.107 0.000 2.400) 2.402 3.063 ( -6.641 0.000 5.274) 8.480 3.360 ( 13.061 -0.000 -2.183) 13.242 3.593 ( -6.278 0.000 17.463) 18.557 4.186 ( -1.022 0.000 -0.688) 1.232 4.260 ( -0.834 0.000 0.024) 0.835 4.445 ( 3.375 -0.000 -6.670) 7.476 5.592 ( -4.850 0.000 2.713) 5.558 5.635 ( -3.945 0.000 5.228) 6.549 5.879 ( -0.063 0.000 4.728) 4.728 5.933 ( 4.160 -0.000 -8.226) 9.218 6.143 ( -1.972 0.000 -1.263) 2.342 7.083 ( -1.667 0.000 -6.845) 7.045 7.643 ( 5.230 -0.000 6.760) 8.547 7.978 ( 3.188 -0.000 -16.644) 16.947 8.782 ( -4.288 0.000 12.209) 12.940 8.911 ( 4.459 -0.000 -6.175) 7.617 9.873 ( -5.533 0.000 -2.750) 6.179 9.903 ( 7.700 -0.000 -4.245) 8.793 9.906 ( 3.162 -0.000 -5.587) 6.420 10.208 ( -6.684 0.000 7.020) 9.693 10.349 ( 0.749 -0.000 3.321) 3.404 11.374 ( -2.407 0.000 6.455) 6.889 12.548 ( 2.032 -0.000 -2.088) 2.914 12.684 ( 2.307 -0.000 -1.248) 2.623 12.741 ( -2.287 0.000 -7.697) 8.029 13.236 ( 3.178 -0.000 -0.677) 3.249 13.243 ( 2.161 -0.000 -0.115) 2.164 14.077 ( -5.461 0.000 8.530) 10.128 15.091 ( -0.267 0.000 -1.177) 1.207 15.199 ( 2.176 -0.000 0.303) 2.197 15.580 ( 12.262 -0.000 -10.483) 16.132 16.724 ( -8.659 0.000 -3.703) 9.418 16.973 ( 34.626 -0.000 -17.711) 38.893 21.156 ( -4.162 0.000 3.004) 5.133 21.248 ( -1.539 0.000 -2.299) 2.767 21.662 ( -53.705 0.000 34.528) 63.846 22.585 ( 8.337 -0.000 4.173) 9.323 23.129 ( 0.076 -0.000 0.579) 0.584 23.239 ( -4.269 0.000 -1.891) 4.669 23.678 ( -4.680 0.000 6.763) 8.224 23.840 ( -3.413 0.000 -0.833) 3.514 ======================= Grid point 117 (43/196) ======================= q-point: ( 0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 12.435 -5.054 10.454) 17.014 0.842 ( 7.451 -11.395 12.914) 18.766 1.094 ( 11.475 -13.609 14.057) 22.683 2.015 ( -1.452 3.489 -1.029) 3.917 2.288 ( 5.468 3.797 -15.734) 17.084 2.560 ( -7.988 2.637 -10.713) 13.620 2.849 ( 3.194 3.009 -2.368) 4.987 3.021 ( -6.276 0.064 4.531) 7.741 3.488 ( 8.788 -2.837 1.560) 9.365 3.601 ( -4.564 -1.506 15.613) 16.336 4.159 ( -0.914 1.137 -0.054) 1.460 4.264 ( -1.628 -0.961 1.062) 2.168 4.448 ( 3.050 0.678 -6.893) 7.568 5.558 ( -3.915 0.069 2.434) 4.610 5.694 ( -4.252 -8.451 3.898) 10.232 5.871 ( -0.822 1.662 4.397) 4.772 5.957 ( 4.189 -0.546 -7.458) 8.572 6.107 ( -1.272 1.314 -0.928) 2.051 7.050 ( -2.419 -0.593 -5.405) 5.951 7.716 ( 5.845 -1.250 6.220) 8.626 7.947 ( 3.674 1.924 -15.602) 16.144 8.748 ( -5.658 2.433 10.300) 12.001 8.928 ( 3.517 0.819 -5.517) 6.593 9.641 ( -3.441 15.560 2.584) 16.144 9.806 ( 3.208 10.878 -2.422) 11.597 9.885 ( 1.440 2.562 -5.100) 5.886 10.339 ( -4.426 -12.969 3.648) 14.180 10.558 ( 0.704 -16.878 0.382) 16.897 11.360 ( -3.070 0.943 6.668) 7.401 12.563 ( 1.378 -0.142 -1.071) 1.751 12.690 ( 1.644 0.821 -0.682) 1.960 12.734 ( -2.716 -4.087 -8.715) 10.001 13.201 ( 3.423 4.914 0.173) 5.991 13.280 ( 2.914 0.048 -0.385) 2.940 14.076 ( -4.016 -1.806 7.839) 8.991 15.091 ( -0.181 -0.607 -1.599) 1.720 15.218 ( 2.627 0.374 0.120) 2.656 15.613 ( 7.030 2.254 -8.200) 11.033 16.624 ( -8.971 1.593 -3.953) 9.932 17.125 ( 26.429 5.699 -12.444) 29.763 21.033 ( -14.091 6.493 14.883) 21.499 21.189 ( -15.566 10.399 18.494) 26.315 21.330 ( -3.258 -2.283 3.002) 4.984 22.645 ( 9.182 2.886 4.766) 10.740 23.132 ( -0.309 -0.479 -0.602) 0.829 23.176 ( -2.730 3.258 -2.633) 5.000 23.747 ( -8.689 -3.605 1.993) 9.616 23.818 ( -1.767 -4.916 0.821) 5.288 ======================= Grid point 118 (44/196) ======================= q-point: ( 0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 11.206 -10.675 3.091) 15.782 1.141 ( 5.308 -12.838 8.662) 16.371 1.457 ( 7.348 -14.044 11.016) 19.302 1.938 ( -1.723 4.013 0.990) 4.478 2.148 ( 1.725 9.772 -10.518) 14.460 2.492 ( -1.473 -2.421 -14.989) 15.254 2.811 ( 1.816 2.840 -2.632) 4.277 2.986 ( -2.518 0.629 2.578) 3.658 3.555 ( -2.604 0.294 12.805) 13.070 3.669 ( 4.709 -2.076 4.435) 6.794 4.162 ( -1.574 -3.097 2.154) 4.087 4.262 ( -2.472 -0.183 2.534) 3.545 4.443 ( 2.728 0.202 -7.360) 7.852 5.544 ( -2.310 -0.962 1.128) 2.745 5.789 ( -2.681 0.448 3.893) 4.748 5.865 ( 1.348 0.467 -5.007) 5.206 5.987 ( -1.360 -7.321 2.748) 7.937 6.107 ( 1.169 -2.382 -3.741) 4.586 7.050 ( -2.198 -3.040 -3.937) 5.438 7.812 ( 5.238 -2.579 5.769) 8.208 7.883 ( 4.374 5.129 -13.675) 15.246 8.664 ( -7.292 3.766 10.014) 12.947 8.897 ( 1.816 3.355 -6.545) 7.576 9.358 ( -0.962 14.999 6.145) 16.238 9.645 ( 0.367 7.844 -2.277) 8.176 9.824 ( 1.048 3.662 -5.245) 6.483 10.543 ( -2.686 -12.260 3.038) 12.913 10.861 ( 0.334 -16.135 -0.625) 16.151 11.327 ( -3.647 1.538 7.135) 8.159 12.555 ( -0.225 1.550 0.173) 1.576 12.684 ( 0.981 0.917 0.011) 1.343 12.794 ( -1.232 -7.011 -9.963) 12.245 13.128 ( 2.710 6.179 1.065) 6.831 13.290 ( 2.678 1.270 0.020) 2.964 14.113 ( -2.590 -3.001 7.590) 8.563 15.100 ( 0.209 -0.849 -2.130) 2.302 15.225 ( 3.582 1.880 0.015) 4.046 15.584 ( 3.181 3.449 -5.889) 7.530 16.507 ( -9.286 1.792 -3.886) 10.225 17.200 ( 19.312 3.899 -3.951) 20.093 20.865 ( -11.822 3.083 19.512) 23.021 21.019 ( -3.058 5.707 5.744) 8.655 21.397 ( -0.687 -4.799 -1.993) 5.242 22.644 ( 7.640 6.767 3.009) 10.640 23.065 ( -0.269 5.721 -3.503) 6.714 23.164 ( 0.541 -2.821 -0.492) 2.914 23.661 ( -8.988 2.462 0.921) 9.365 23.946 ( -1.893 -7.970 0.890) 8.240 ======================= Grid point 119 (45/196) ======================= q-point: ( 0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 9.055 -10.477 -1.869) 13.974 1.411 ( 2.616 -11.822 4.330) 12.858 1.736 ( 3.005 -8.144 8.028) 11.824 1.829 ( -0.843 6.803 -2.337) 7.242 2.007 ( -0.920 2.741 -1.234) 3.144 2.501 ( 2.593 -1.763 -14.286) 14.626 2.765 ( -1.096 2.067 -1.600) 2.834 2.980 ( 2.159 0.504 1.829) 2.875 3.526 ( -4.628 3.059 14.293) 15.332 3.729 ( 4.036 0.563 1.100) 4.221 4.214 ( -3.025 -0.128 3.436) 4.580 4.302 ( -1.859 -9.477 3.501) 10.272 4.451 ( 2.461 -0.791 -7.022) 7.483 5.557 ( -0.972 -1.685 -0.386) 1.983 5.704 ( 0.023 8.799 -0.265) 8.803 5.772 ( -0.677 5.456 0.859) 5.564 6.143 ( 3.277 -3.046 -7.520) 8.751 6.259 ( -2.749 -18.762 1.581) 19.028 7.097 ( -1.261 -4.767 -3.034) 5.790 7.756 ( 4.340 10.141 -9.896) 14.819 7.913 ( 3.410 -2.741 5.580) 7.091 8.563 ( -7.801 2.841 8.987) 12.235 8.821 ( 1.103 4.056 -6.230) 7.515 9.137 ( -0.095 11.731 7.348) 13.843 9.533 ( -0.229 4.126 -2.941) 5.072 9.753 ( 0.957 3.679 -5.493) 6.680 10.733 ( -1.254 -9.992 2.763) 10.442 11.112 ( 0.015 -12.096 -0.787) 12.122 11.289 ( -3.756 1.390 7.840) 8.803 12.512 ( -1.298 2.473 0.675) 2.874 12.672 ( 0.708 1.285 0.074) 1.469 12.886 ( 0.678 -5.649 -9.523) 11.093 13.048 ( 0.490 3.987 0.784) 4.092 13.286 ( 2.356 1.519 0.525) 2.852 14.172 ( -1.651 -3.267 7.859) 8.670 15.113 ( 1.499 -0.405 -2.215) 2.705 15.210 ( 3.819 3.217 -0.062) 4.994 15.525 ( 0.063 2.934 -4.589) 5.447 16.396 ( -9.378 0.633 -3.589) 10.062 17.290 ( 15.201 1.729 -0.769) 15.318 20.821 ( -5.247 -0.604 9.834) 11.162 20.937 ( -2.533 2.499 5.677) 6.700 21.464 ( -0.259 -3.900 -2.671) 4.734 22.540 ( 5.084 10.541 -3.731) 12.283 22.969 ( 0.448 4.158 -1.355) 4.396 23.243 ( 2.739 -4.415 0.180) 5.199 23.545 ( -8.394 2.824 3.340) 9.465 24.054 ( -1.138 -5.595 -0.118) 5.711 ======================= Grid point 120 (46/196) ======================= q-point: ( 0.50 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 7.333 -6.043 -6.231) 11.363 1.589 ( -1.093 -3.911 -6.392) 7.573 1.685 ( 0.098 4.072 2.412) 4.734 1.820 ( 0.620 -0.208 3.229) 3.294 2.068 ( -1.497 -6.620 9.488) 11.666 2.507 ( 2.986 0.294 -9.085) 9.567 2.714 ( -2.165 1.453 -2.092) 3.343 3.008 ( 3.631 0.080 2.721) 4.538 3.467 ( -4.516 2.743 12.012) 13.123 3.722 ( 0.666 2.494 0.696) 2.674 4.183 ( -2.584 1.055 3.731) 4.660 4.466 ( 2.329 -0.746 -5.687) 6.191 4.520 ( -1.786 -13.602 2.750) 13.991 5.483 ( 1.188 12.625 -3.031) 13.038 5.596 ( -0.170 -1.643 -1.795) 2.439 5.703 ( -2.028 2.586 6.080) 6.912 6.181 ( 4.077 -0.786 -10.949) 11.710 6.591 ( -0.964 -19.116 -2.233) 19.270 7.172 ( -0.322 -5.066 -1.678) 5.346 7.547 ( 2.531 14.082 -4.687) 15.056 7.979 ( 0.726 -0.611 5.998) 6.073 8.502 ( -5.314 -0.009 6.976) 8.769 8.763 ( 1.318 1.774 -3.801) 4.397 8.980 ( -0.644 7.533 5.888) 9.583 9.481 ( 0.258 0.890 -3.290) 3.418 9.686 ( 0.889 3.011 -5.954) 6.731 10.875 ( -0.664 -5.714 2.526) 6.283 11.259 ( -1.967 -0.637 7.169) 7.461 11.280 ( -1.268 -5.482 0.507) 5.650 12.461 ( -1.792 1.844 1.066) 2.784 12.650 ( 0.785 1.693 -0.844) 2.048 12.916 ( 2.029 1.778 -0.878) 2.837 13.033 ( -1.535 -3.416 -7.408) 8.301 13.281 ( 1.998 1.161 0.829) 2.456 14.235 ( -1.479 -2.653 8.558) 9.081 15.117 ( 3.861 2.513 -0.988) 4.712 15.184 ( 1.517 1.474 -1.352) 2.510 15.470 ( -1.466 1.103 -4.097) 4.489 16.321 ( -8.510 -1.671 -2.786) 9.109 17.366 ( 11.539 2.527 -0.448) 11.821 20.817 ( -1.728 0.218 4.207) 4.553 20.924 ( -2.718 -1.417 6.255) 6.966 21.513 ( 0.265 -2.423 -3.004) 3.869 22.368 ( 3.734 10.052 -9.912) 14.603 22.918 ( 0.378 1.908 0.069) 1.947 23.341 ( 1.342 -3.320 -2.076) 4.139 23.462 ( -4.777 0.713 9.077) 10.282 24.124 ( -0.514 -3.180 -0.813) 3.322 ======================= Grid point 121 (47/196) ======================= q-point: (-0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 2.711 9.501 -10.475) 14.399 1.502 ( 1.088 5.402 -8.327) 9.985 1.730 ( 0.007 -3.400 5.900) 6.810 1.905 ( -1.356 -7.206 6.636) 9.890 2.146 ( -3.549 -0.120 9.945) 10.560 2.501 ( 3.069 0.687 -5.655) 6.471 2.683 ( -1.293 -1.210 -4.752) 5.071 3.038 ( 1.847 0.180 3.529) 3.987 3.428 ( -3.915 0.763 8.807) 9.669 3.668 ( -2.304 2.874 1.813) 4.105 4.168 ( -1.679 -0.364 4.208) 4.545 4.473 ( 1.825 0.018 -6.031) 6.301 4.687 ( -1.120 -2.109 3.760) 4.454 5.321 ( 1.138 2.156 -3.524) 4.285 5.620 ( 0.584 -0.954 -1.968) 2.263 5.680 ( -1.943 -0.161 6.212) 6.510 6.182 ( 4.156 0.908 -12.749) 13.440 6.815 ( 1.772 -2.658 -6.298) 7.062 7.258 ( -0.352 -3.667 1.023) 3.823 7.351 ( 0.181 2.719 -1.815) 3.274 7.964 ( -1.957 3.810 7.048) 8.248 8.514 ( -2.041 -2.584 6.336) 7.141 8.759 ( 1.599 -0.646 -2.374) 2.935 8.907 ( -0.933 1.104 4.190) 4.432 9.486 ( 0.919 -1.821 -3.149) 3.752 9.634 ( 0.751 1.687 -6.476) 6.734 10.926 ( -0.632 0.107 2.791) 2.864 11.269 ( -2.199 -0.853 8.843) 9.153 11.330 ( -0.060 0.116 -1.212) 1.219 12.433 ( -1.815 -0.215 1.350) 2.272 12.628 ( 0.880 1.044 -1.941) 2.373 12.901 ( 0.920 0.916 3.066) 3.329 13.051 ( -0.254 -1.448 -10.934) 11.032 13.283 ( 1.501 0.606 0.940) 1.872 14.280 ( -2.079 -1.341 9.445) 9.764 15.084 ( 2.673 3.349 -0.421) 4.305 15.181 ( 0.747 -0.098 -2.291) 2.412 15.444 ( -1.063 -0.538 -4.237) 4.402 16.304 ( -6.442 -4.033 -1.712) 7.791 17.373 ( 7.183 5.520 -1.000) 9.114 20.815 ( -0.118 0.054 3.324) 3.326 20.949 ( -2.838 -1.473 6.035) 6.830 21.536 ( 0.743 -0.637 -3.113) 3.263 22.231 ( 3.206 4.852 -11.208) 12.627 22.907 ( 0.281 -0.460 -0.759) 0.931 23.325 ( -4.377 1.159 0.373) 4.543 23.527 ( 2.340 -4.105 8.149) 9.419 24.155 ( -0.114 -0.947 -1.041) 1.412 ======================= Grid point 122 (48/196) ======================= q-point: (-0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 2.048 13.448 -11.240) 17.646 1.351 ( 2.272 11.368 -2.295) 11.818 1.763 ( -2.674 2.796 9.021) 9.816 2.027 ( -2.883 -5.127 6.302) 8.620 2.081 ( -6.524 2.267 6.881) 9.749 2.508 ( 4.587 0.105 -5.739) 7.347 2.716 ( 0.884 -4.067 -9.475) 10.349 3.053 ( -0.689 -0.556 2.913) 3.045 3.416 ( -3.320 -0.233 6.259) 7.089 3.608 ( -3.842 1.733 5.953) 7.294 4.191 ( -0.700 -1.916 4.116) 4.593 4.465 ( 1.547 0.623 -6.351) 6.566 4.566 ( -1.136 12.800 4.772) 13.708 5.437 ( 1.377 -11.972 -4.031) 12.707 5.636 ( 1.626 -0.322 0.080) 1.660 5.700 ( -2.248 -2.242 3.734) 4.901 6.156 ( 3.847 1.920 -12.454) 13.175 6.643 ( 1.175 17.839 -2.018) 17.991 7.254 ( 0.177 0.921 -0.629) 1.129 7.524 ( 0.257 -15.433 -4.981) 16.219 7.857 ( -3.262 7.441 7.626) 11.143 8.577 ( -0.626 -3.059 7.816) 8.417 8.798 ( 1.920 -2.863 -2.948) 4.536 8.950 ( -1.061 -5.650 3.946) 6.973 9.540 ( 1.234 -4.011 -2.927) 5.117 9.609 ( 0.896 -0.216 -6.275) 6.343 10.884 ( -0.254 4.838 3.208) 5.811 11.257 ( -0.313 6.074 -1.176) 6.195 11.302 ( -1.585 -0.481 8.229) 8.394 12.447 ( -1.355 -2.320 1.398) 3.029 12.623 ( 0.790 -0.314 -2.214) 2.371 12.919 ( 1.637 -0.764 2.334) 2.951 13.018 ( 0.145 1.790 -10.152) 10.310 13.289 ( 0.880 0.108 0.757) 1.166 14.292 ( -3.381 0.484 10.185) 10.742 15.063 ( 0.552 -0.091 -1.502) 1.603 15.176 ( 0.722 0.757 -1.877) 2.149 15.442 ( 0.187 -0.746 -5.016) 5.074 16.344 ( -3.537 -5.229 -0.671) 6.348 17.283 ( 2.447 8.689 -1.466) 9.145 20.833 ( 0.611 -0.756 3.946) 4.064 20.956 ( -3.885 -0.816 8.115) 9.034 21.530 ( 0.985 1.226 -3.045) 3.427 22.204 ( 3.071 -1.452 -7.844) 8.548 22.938 ( 0.254 -3.348 -2.511) 4.193 23.272 ( -3.701 1.233 1.893) 4.336 23.639 ( 2.666 -3.953 5.548) 7.316 24.152 ( 0.095 0.947 -0.752) 1.213 ======================= Grid point 123 (49/196) ======================= q-point: (-0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 2.575 16.190 -10.118) 19.265 1.137 ( 3.861 15.882 4.368) 16.918 1.582 ( -6.657 15.856 12.898) 21.496 2.010 ( -3.528 0.010 4.941) 6.071 2.124 ( -6.056 -7.043 -1.021) 9.345 2.563 ( 6.338 -2.789 -3.843) 7.919 2.758 ( 1.477 -2.454 -13.834) 14.127 3.067 ( -2.457 -1.837 2.384) 3.885 3.399 ( -1.433 1.865 3.377) 4.116 3.589 ( -4.406 -0.785 12.778) 13.540 4.232 ( 0.316 -1.140 3.258) 3.467 4.342 ( -2.435 10.228 4.912) 11.604 4.449 ( 1.857 0.949 -6.589) 6.911 5.627 ( 0.848 -4.906 -3.453) 6.060 5.666 ( 1.568 -3.888 1.291) 4.387 5.756 ( -0.829 -5.806 0.644) 5.900 6.116 ( 2.988 2.669 -9.469) 10.282 6.307 ( -0.101 19.207 1.773) 19.289 7.225 ( -0.274 2.208 -1.194) 2.525 7.709 ( -2.121 6.639 5.869) 9.111 7.773 ( 1.197 -11.602 -9.178) 14.842 8.640 ( -0.881 -2.106 10.733) 10.973 8.860 ( 1.489 -3.150 -4.490) 5.683 9.114 ( -0.925 -12.561 4.694) 13.441 9.599 ( -0.672 -3.077 -6.319) 7.060 9.652 ( 3.238 -4.304 -1.647) 5.632 10.778 ( 0.261 7.791 2.748) 8.265 11.086 ( 0.004 12.207 -1.538) 12.304 11.326 ( -2.071 -1.205 8.176) 8.520 12.491 ( -0.530 -2.889 1.211) 3.177 12.634 ( 0.571 -0.619 -1.894) 2.073 12.922 ( 5.663 4.600 -10.142) 12.494 12.994 ( -2.469 -3.741 2.404) 5.086 13.293 ( 0.017 0.176 0.048) 0.184 14.260 ( -5.156 2.042 10.379) 11.767 15.090 ( 0.032 -3.174 -2.831) 4.254 15.158 ( 0.447 1.324 -1.272) 1.890 15.439 ( 2.262 0.702 -6.070) 6.516 16.415 ( -0.036 -4.316 0.519) 4.347 17.116 ( -1.463 9.607 -1.480) 9.829 20.880 ( -0.760 -3.419 9.438) 10.067 20.977 ( -5.451 -3.595 11.011) 12.802 21.493 ( 0.841 2.998 -2.791) 4.182 22.274 ( 3.301 -4.531 -2.649) 6.201 23.015 ( 0.151 -6.001 -3.869) 7.142 23.231 ( -2.682 0.921 1.372) 3.151 23.734 ( 2.375 -3.094 3.096) 4.980 24.121 ( -0.177 2.331 -0.274) 2.354 ======================= Grid point 124 (50/196) ======================= q-point: (-0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 4.011 17.294 -4.138) 18.229 0.888 ( 5.367 18.314 9.535) 21.334 1.224 ( -6.088 21.402 15.571) 27.158 2.016 ( -2.923 -2.527 2.577) 4.644 2.206 ( -1.619 -7.629 -9.381) 12.200 2.676 ( 4.398 -5.003 0.936) 6.727 2.752 ( 0.026 -0.850 -15.389) 15.412 3.088 ( -3.471 -2.195 3.571) 5.442 3.347 ( 3.516 5.318 2.647) 6.903 3.608 ( -5.194 -0.655 16.816) 17.612 4.191 ( -1.022 3.452 2.681) 4.489 4.277 ( -0.747 -0.498 2.302) 2.471 4.434 ( 2.199 0.513 -6.939) 7.297 5.633 ( -1.515 0.028 -0.839) 1.732 5.768 ( 0.420 -3.967 4.492) 6.008 5.867 ( 2.132 -4.056 -7.149) 8.492 5.978 ( -0.305 13.443 3.040) 13.785 6.103 ( 1.401 1.880 -2.878) 3.712 7.168 ( -1.747 2.576 -1.799) 3.595 7.606 ( 0.936 5.137 7.480) 9.122 7.924 ( 2.254 -6.858 -15.373) 16.984 8.700 ( -1.639 -2.354 13.498) 13.799 8.900 ( 1.283 -1.606 -6.311) 6.637 9.384 ( -1.278 -16.964 4.725) 17.656 9.642 ( 0.111 -4.484 -4.982) 6.704 9.763 ( 3.505 -4.930 -1.185) 6.164 10.629 ( -0.273 10.003 0.802) 10.039 10.832 ( -0.197 15.890 -0.608) 15.903 11.350 ( -2.164 -1.137 7.333) 7.730 12.534 ( 0.556 -1.374 0.247) 1.503 12.641 ( 0.755 -0.289 -1.471) 1.678 12.856 ( 4.055 3.903 -9.149) 10.741 13.071 ( -0.351 -4.908 1.822) 5.247 13.280 ( -0.847 0.783 -0.770) 1.387 14.195 ( -6.672 2.574 9.884) 12.200 15.126 ( -0.393 0.460 -1.914) 2.007 15.155 ( 0.905 -2.631 -2.571) 3.788 15.429 ( 7.619 2.500 -6.695) 10.447 16.497 ( 6.163 -2.226 2.413) 6.983 16.944 ( -3.153 6.541 -1.635) 7.443 21.006 ( 0.706 -6.282 3.417) 7.186 21.089 ( -15.334 -16.850 32.440) 39.641 21.425 ( 0.309 4.474 -2.454) 5.112 22.384 ( 4.206 -4.255 1.347) 6.132 23.117 ( -0.094 -5.820 -3.680) 6.887 23.204 ( -2.304 -0.347 -0.099) 2.332 23.801 ( 2.050 -1.821 0.778) 2.850 24.059 ( -2.672 3.841 -0.606) 4.718 ======================= Grid point 127 (51/196) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 12.582 -0.000 12.253) 17.563 0.816 ( 9.765 -0.000 16.089) 18.820 1.113 ( 14.845 -0.000 10.077) 17.942 2.041 ( -0.106 0.000 -2.596) 2.598 2.308 ( 5.063 -0.000 -14.310) 15.179 2.498 ( -9.145 0.000 -11.738) 14.880 2.901 ( 3.522 -0.000 -2.433) 4.281 2.970 ( -7.696 0.000 5.280) 9.333 3.546 ( 10.233 -0.000 1.123) 10.294 3.580 ( -5.913 0.000 16.270) 17.311 4.168 ( -0.609 0.000 -0.826) 1.027 4.236 ( -2.322 0.000 0.208) 2.331 4.465 ( 3.180 -0.000 -6.731) 7.444 5.536 ( -3.648 0.000 3.553) 5.092 5.586 ( -5.162 0.000 5.519) 7.557 5.885 ( -2.173 0.000 4.386) 4.895 5.965 ( 4.461 -0.000 -7.433) 8.669 6.104 ( -1.730 0.000 -1.650) 2.390 7.012 ( -2.411 0.000 -5.892) 6.366 7.770 ( 6.167 -0.000 5.220) 8.079 7.952 ( 3.674 -0.000 -15.037) 15.479 8.748 ( -6.297 0.000 9.465) 11.368 8.953 ( 4.056 -0.000 -6.251) 7.452 9.791 ( -2.818 0.000 -0.718) 2.908 9.892 ( -0.438 0.000 -4.807) 4.827 9.979 ( 3.690 -0.000 -4.368) 5.718 10.175 ( -1.999 0.000 6.865) 7.151 10.354 ( -1.930 0.000 2.421) 3.096 11.359 ( -3.369 0.000 6.390) 7.224 12.570 ( 1.699 -0.000 -1.803) 2.477 12.638 ( -5.021 0.000 -7.388) 8.933 12.715 ( 2.075 -0.000 -0.765) 2.211 13.288 ( 2.941 -0.000 0.392) 2.967 13.303 ( 5.334 -0.000 -1.708) 5.601 14.054 ( -2.426 0.000 7.696) 8.069 15.081 ( -0.000 0.000 -1.590) 1.590 15.242 ( 2.609 -0.000 0.680) 2.696 15.664 ( 4.967 -0.000 -7.572) 9.056 16.548 ( -9.540 0.000 -4.033) 10.358 17.360 ( 23.939 -0.000 -19.142) 30.651 21.001 ( -21.690 0.000 23.856) 32.243 21.203 ( -2.397 0.000 -2.233) 3.276 21.279 ( -11.916 0.000 13.511) 18.016 22.764 ( 9.819 -0.000 5.072) 11.051 23.134 ( 0.257 -0.000 0.774) 0.816 23.163 ( -3.613 0.000 -1.508) 3.915 23.660 ( -1.947 0.000 5.261) 5.610 23.755 ( -5.784 0.000 -1.826) 6.066 ======================= Grid point 128 (52/196) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 12.217 -3.201 9.822) 15.999 1.049 ( 9.378 -7.822 11.983) 17.110 1.339 ( 10.641 -9.194 7.291) 15.840 2.001 ( 0.065 3.473 -0.217) 3.480 2.279 ( 0.303 6.395 -14.220) 15.594 2.392 ( -2.402 -2.488 -12.205) 12.686 2.866 ( -1.651 3.402 0.843) 3.874 2.967 ( -0.602 -1.717 1.611) 2.431 3.563 ( -4.209 0.416 14.347) 14.958 3.673 ( 6.859 -3.397 3.218) 8.303 4.147 ( -0.553 0.996 -0.075) 1.142 4.228 ( -3.475 -1.184 0.732) 3.743 4.461 ( 2.970 1.069 -6.959) 7.642 5.521 ( -2.302 -0.218 3.082) 3.853 5.640 ( -4.736 -8.704 4.919) 11.063 5.862 ( -2.881 1.209 4.296) 5.312 5.987 ( 4.000 0.249 -7.498) 8.502 6.080 ( -1.113 -0.005 -1.247) 1.672 6.987 ( -1.820 -1.074 -4.455) 4.931 7.842 ( 5.765 -0.984 4.377) 7.305 7.935 ( 4.137 1.337 -14.112) 14.766 8.691 ( -7.472 2.877 9.751) 12.617 8.949 ( 3.256 2.111 -7.765) 8.681 9.628 ( -0.066 13.384 3.931) 13.949 9.819 ( -0.422 12.126 -1.643) 12.244 9.861 ( -0.367 2.007 -6.334) 6.655 10.315 ( -1.327 -11.842 4.641) 12.788 10.554 ( -1.370 -17.435 0.160) 17.489 11.338 ( -3.657 0.963 6.453) 7.479 12.569 ( -1.437 0.642 -0.126) 1.579 12.623 ( -2.538 -4.647 -8.530) 10.040 12.725 ( 2.024 0.358 -0.673) 2.163 13.264 ( 3.809 4.998 -0.058) 6.284 13.337 ( 3.967 0.892 -0.778) 4.140 14.076 ( -1.003 -1.717 7.870) 8.118 15.082 ( 0.214 -0.554 -1.834) 1.928 15.267 ( 2.923 -0.009 0.458) 2.958 15.653 ( 2.956 2.853 -6.226) 7.459 16.450 ( -8.886 1.403 -3.343) 9.598 17.435 ( 18.600 5.238 -11.665) 22.571 20.863 ( -16.349 2.769 24.088) 29.244 21.105 ( -4.440 5.751 3.770) 8.186 21.297 ( -2.009 -4.788 0.181) 5.196 22.820 ( 8.274 4.217 4.255) 10.215 23.124 ( -0.785 -0.979 -0.310) 1.292 23.134 ( -0.341 2.556 -1.170) 2.832 23.628 ( -6.562 1.863 -0.325) 6.829 23.788 ( -2.624 -7.701 1.680) 8.307 ======================= Grid point 129 (53/196) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 11.064 -7.083 4.239) 13.804 1.288 ( 6.953 -8.257 7.659) 13.236 1.602 ( 3.966 -10.963 6.441) 13.319 1.929 ( -0.676 5.031 2.616) 5.711 2.089 ( -1.821 7.742 -9.785) 12.610 2.441 ( 5.123 -3.911 -16.489) 17.704 2.793 ( -3.163 2.902 2.296) 4.869 3.003 ( 2.940 -0.712 1.514) 3.383 3.556 ( -5.463 0.692 15.210) 16.176 3.768 ( 4.736 -0.578 0.962) 4.867 4.154 ( -0.813 -2.880 2.455) 3.871 4.215 ( -4.380 -0.981 1.130) 4.629 4.452 ( 2.940 0.422 -6.959) 7.567 5.523 ( -1.120 -1.037 1.252) 1.974 5.761 ( -2.893 -1.621 4.556) 5.635 5.856 ( -0.073 -1.753 -2.489) 3.045 5.971 ( -1.864 -3.691 1.364) 4.355 6.109 ( 1.655 -3.109 -4.303) 5.561 7.005 ( -0.831 -3.423 -3.262) 4.801 7.889 ( 4.874 3.879 -12.246) 13.739 7.922 ( 4.608 -1.332 3.180) 5.755 8.583 ( -8.608 4.232 10.310) 14.082 8.892 ( 2.447 4.318 -8.265) 9.641 9.393 ( 0.530 14.661 6.890) 16.208 9.625 ( -1.330 7.796 -1.830) 8.117 9.799 ( -0.208 2.837 -6.077) 6.709 10.534 ( -0.653 -12.203 3.298) 12.658 10.849 ( -1.235 -16.566 -0.633) 16.624 11.303 ( -3.609 1.373 6.975) 7.972 12.532 ( -2.756 1.339 0.186) 3.069 12.677 ( -0.513 -3.117 -4.381) 5.401 12.749 ( 1.170 -3.429 -4.851) 6.055 13.181 ( 2.962 7.341 0.419) 7.927 13.338 ( 2.741 1.815 -0.050) 3.287 14.133 ( -0.055 -2.702 8.217) 8.650 15.096 ( 0.689 -1.207 -2.046) 2.473 15.289 ( 3.865 1.018 0.134) 3.999 15.583 ( 0.423 4.839 -5.140) 7.072 16.340 ( -7.835 2.082 -2.418) 8.460 17.464 ( 14.609 4.096 -4.704) 15.885 20.791 ( -8.521 -0.173 16.367) 18.453 20.991 ( -3.211 4.545 3.830) 6.756 21.373 ( -0.830 -5.087 -1.806) 5.461 22.756 ( 4.536 9.553 -0.439) 10.584 23.057 ( 0.776 5.219 -0.571) 5.307 23.179 ( 1.330 -4.520 -0.317) 4.722 23.533 ( -6.437 2.269 0.620) 6.854 23.918 ( -2.260 -8.130 0.923) 8.489 ======================= Grid point 130 (54/196) ======================= q-point: ( 0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 9.728 -7.249 -0.142) 12.133 1.477 ( 3.132 -6.766 0.569) 7.477 1.768 ( -1.967 -0.008 4.182) 4.621 1.856 ( 3.209 0.967 2.165) 3.990 1.976 ( -2.084 0.189 -0.038) 2.093 2.505 ( 6.614 -1.933 -14.036) 15.636 2.726 ( -3.000 2.348 1.976) 4.292 3.045 ( 3.597 -0.133 2.857) 4.596 3.514 ( -5.762 3.058 14.002) 15.447 3.772 ( 0.926 2.395 -0.854) 2.706 4.182 ( -2.830 0.129 2.828) 4.003 4.286 ( -1.703 -10.732 2.910) 11.249 4.459 ( 2.715 -0.455 -6.196) 6.780 5.544 ( -0.281 -1.760 -0.949) 2.019 5.696 ( -1.031 7.571 0.857) 7.689 5.767 ( -0.291 6.065 0.334) 6.082 6.157 ( 2.965 -3.343 -6.993) 8.299 6.224 ( -2.452 -18.903 1.827) 19.149 7.072 ( 0.027 -5.194 -2.283) 5.674 7.779 ( 4.627 10.056 -9.608) 14.657 7.989 ( 2.568 -1.299 3.704) 4.690 8.482 ( -7.478 1.799 9.333) 12.094 8.814 ( 2.005 3.895 -6.285) 7.660 9.167 ( -1.192 12.361 6.443) 13.991 9.515 ( -0.084 3.733 -1.712) 4.107 9.730 ( 0.271 3.113 -6.146) 6.895 10.737 ( -0.243 -9.971 2.640) 10.317 11.097 ( -1.022 -12.606 -0.978) 12.685 11.272 ( -3.210 0.987 7.921) 8.604 12.481 ( -2.512 1.977 0.854) 3.309 12.684 ( 0.751 1.066 -0.319) 1.342 12.842 ( 0.541 -7.391 -9.990) 12.439 13.070 ( 1.077 7.049 1.306) 7.249 13.324 ( 1.672 1.744 0.421) 2.452 14.205 ( 0.091 -2.656 8.639) 9.038 15.125 ( 1.389 -1.670 -2.166) 3.068 15.287 ( 5.294 3.953 0.084) 6.608 15.478 ( -2.730 3.812 -4.623) 6.585 16.248 ( -6.009 0.989 -0.983) 6.169 17.501 ( 10.412 2.796 -2.730) 11.121 20.798 ( -3.497 -1.912 8.917) 9.767 20.917 ( -3.128 1.980 4.670) 5.959 21.447 ( -0.074 -4.224 -2.562) 4.940 22.575 ( 2.679 12.307 -7.535) 14.677 22.981 ( 0.984 4.162 1.410) 4.503 23.275 ( 0.785 -4.545 -1.524) 4.857 23.463 ( -3.641 1.142 5.458) 6.659 24.029 ( -1.765 -6.195 -0.309) 6.449 ======================= Grid point 131 (55/196) ======================= q-point: ( 0.60 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 8.116 -1.068 -6.082) 10.198 1.554 ( 2.399 -0.336 -5.249) 5.781 1.703 ( -0.925 1.523 4.828) 5.147 1.856 ( 1.511 0.993 2.667) 3.222 2.068 ( -4.199 -7.377 9.251) 12.555 2.535 ( 5.648 0.782 -7.928) 9.766 2.671 ( -1.998 1.798 -0.156) 2.692 3.071 ( 1.536 0.847 3.310) 3.746 3.446 ( -4.995 2.544 10.478) 11.884 3.711 ( -1.709 3.478 -0.544) 3.913 4.166 ( -1.716 0.289 3.795) 4.175 4.465 ( 1.362 -1.901 -6.162) 6.591 4.519 ( -0.285 -12.309 3.611) 12.831 5.482 ( 0.749 12.386 -3.509) 12.895 5.585 ( 0.059 -1.826 -2.096) 2.781 5.701 ( -2.136 2.196 6.104) 6.830 6.190 ( 3.733 -0.493 -10.512) 11.166 6.569 ( -0.168 -19.603 -1.951) 19.700 7.165 ( 0.325 -5.408 -1.008) 5.510 7.563 ( 2.339 14.891 -4.448) 15.716 8.017 ( 0.204 1.021 4.983) 5.091 8.461 ( -4.013 -2.206 7.285) 8.605 8.768 ( 1.508 1.361 -3.801) 4.309 8.987 ( -2.045 7.699 4.779) 9.289 9.476 ( 0.934 0.727 -2.012) 2.334 9.665 ( 0.780 2.803 -6.394) 7.024 10.881 ( -0.345 -5.521 2.543) 6.089 11.261 ( -2.188 -1.623 5.979) 6.570 11.264 ( -1.071 -5.560 1.472) 5.850 12.434 ( -1.866 1.466 1.440) 2.776 12.661 ( 0.938 1.962 -0.715) 2.289 12.938 ( 2.721 -3.804 -8.751) 9.923 12.977 ( -1.804 2.363 0.033) 2.973 13.309 ( 0.742 1.172 0.609) 1.515 14.266 ( -0.586 -1.759 9.098) 9.285 15.160 ( 1.846 -1.154 -2.125) 3.042 15.219 ( 3.046 7.310 -0.780) 7.957 15.413 ( -2.089 -0.302 -3.802) 4.348 16.212 ( -3.162 -1.422 0.720) 3.541 17.504 ( 5.420 3.903 -3.547) 7.563 20.824 ( -0.114 -0.338 4.357) 4.372 20.901 ( -3.785 -1.887 5.610) 7.026 21.504 ( 0.585 -2.724 -2.949) 4.057 22.365 ( 2.694 10.260 -11.461) 15.616 22.933 ( 0.856 2.605 1.410) 3.084 23.304 ( -2.514 -0.223 -1.285) 2.832 23.492 ( 0.458 -3.427 8.449) 9.129 24.104 ( -1.128 -3.836 -1.227) 4.183 ======================= Grid point 132 (56/196) ======================= q-point: (-0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 3.735 10.763 -9.778) 15.014 1.558 ( 7.989 7.168 -0.496) 10.745 1.752 ( -0.891 -3.285 4.831) 5.910 1.898 ( -3.645 -4.814 4.367) 7.452 2.117 ( -5.541 0.805 8.884) 10.501 2.549 ( 5.736 0.806 -3.927) 6.998 2.642 ( -0.891 -1.128 -3.810) 4.072 3.055 ( -1.832 1.264 1.540) 2.707 3.410 ( -2.943 0.473 7.283) 7.870 3.636 ( -2.315 2.973 2.428) 4.483 4.170 ( -1.024 -0.833 4.832) 5.009 4.469 ( 1.732 0.190 -6.426) 6.658 4.693 ( -0.843 -2.150 4.174) 4.770 5.319 ( 0.961 1.876 -3.749) 4.301 5.620 ( 0.697 -2.060 -2.075) 3.006 5.677 ( -2.273 0.287 5.888) 6.318 6.186 ( 4.164 1.165 -12.475) 13.204 6.812 ( 1.911 -3.730 -6.360) 7.617 7.258 ( -0.371 -3.603 1.077) 3.779 7.347 ( 0.509 4.166 -1.618) 4.498 7.974 ( -1.643 5.086 7.493) 9.204 8.516 ( -1.838 -4.256 6.743) 8.183 8.767 ( 0.977 -0.999 -2.965) 3.278 8.905 ( -1.784 0.800 3.480) 3.992 9.490 ( 1.305 -1.824 -2.494) 3.354 9.617 ( 1.589 1.582 -6.302) 6.689 10.932 ( -0.570 0.022 3.091) 3.143 11.272 ( -2.774 -0.881 7.760) 8.288 11.326 ( 0.189 -0.458 -0.511) 0.712 12.415 ( -1.011 -0.440 1.736) 2.057 12.635 ( 1.048 1.303 -1.638) 2.341 12.925 ( -1.401 0.973 4.844) 5.136 13.002 ( 2.933 -2.075 -12.850) 13.343 13.299 ( -0.039 0.499 0.523) 0.724 14.298 ( -2.042 -0.166 9.492) 9.710 15.109 ( 0.238 5.147 -1.482) 5.361 15.182 ( 0.897 -0.315 -2.281) 2.471 15.417 ( 0.952 -1.254 -3.408) 3.754 16.250 ( 0.269 -3.722 2.163) 4.313 17.425 ( 0.437 6.631 -4.922) 8.270 20.839 ( 0.601 -0.252 3.590) 3.648 20.924 ( -3.637 -1.710 5.747) 7.013 21.534 ( 0.981 -0.810 -3.106) 3.356 22.230 ( 3.675 4.016 -10.777) 12.074 22.912 ( 0.622 0.448 -0.274) 0.814 23.271 ( -2.487 1.162 1.441) 3.100 23.592 ( 0.267 -4.579 7.013) 8.380 24.140 ( -0.605 -1.534 -1.678) 2.353 ======================= Grid point 133 (57/196) ======================= q-point: (-0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 5.647 14.062 -11.021) 18.738 1.457 ( 8.208 12.702 6.438) 16.437 1.748 ( -4.862 4.666 7.880) 10.369 1.959 ( -6.027 -5.714 0.872) 8.351 2.028 ( -4.902 4.130 6.418) 9.071 2.584 ( 6.473 -0.187 -1.904) 6.749 2.675 ( 0.428 -3.734 -10.537) 11.188 3.023 ( -3.299 -0.520 -0.648) 3.402 3.414 ( -0.871 -0.455 7.023) 7.091 3.592 ( -1.942 1.323 6.740) 7.138 4.204 ( -0.747 -2.206 4.908) 5.433 4.455 ( 1.476 1.167 -6.474) 6.741 4.569 ( -1.437 12.672 4.061) 13.384 5.444 ( 1.834 -12.237 -3.457) 12.847 5.650 ( 0.203 -0.827 -2.135) 2.299 5.688 ( -1.624 -2.265 5.618) 6.272 6.158 ( 4.129 2.047 -12.184) 13.027 6.648 ( 0.651 17.681 -2.108) 17.818 7.243 ( -0.732 1.064 -1.556) 2.022 7.510 ( 1.253 -14.449 -4.966) 15.330 7.863 ( -1.521 7.778 8.913) 11.927 8.597 ( -2.051 -4.026 8.140) 9.310 8.802 ( 0.736 -3.018 -3.715) 4.842 8.947 ( -1.658 -6.096 3.761) 7.352 9.531 ( 0.091 -2.515 -4.231) 4.923 9.621 ( 3.677 -1.731 -4.191) 5.838 10.892 ( -0.876 4.593 3.316) 5.732 11.247 ( -0.418 5.332 -0.202) 5.352 11.314 ( -1.903 0.043 7.121) 7.371 12.442 ( -0.139 -2.454 1.681) 2.978 12.630 ( 1.145 -0.124 -1.637) 2.002 12.929 ( -2.798 -1.820 2.950) 4.455 13.004 ( 5.703 2.005 -10.548) 12.157 13.291 ( -0.853 0.166 0.006) 0.869 14.283 ( -4.111 1.853 9.494) 10.510 15.055 ( -0.187 0.172 -2.218) 2.233 15.177 ( 0.505 0.802 -1.849) 2.078 15.444 ( 2.859 -0.934 -3.821) 4.863 16.351 ( 3.509 -4.828 3.054) 6.705 17.258 ( -3.056 9.051 -5.508) 11.027 20.866 ( 0.722 -1.066 4.213) 4.405 20.924 ( -4.883 -0.673 7.834) 9.256 21.531 ( 0.970 1.240 -3.070) 3.450 22.234 ( 4.900 -2.574 -6.171) 8.290 22.931 ( 0.406 -2.545 -2.527) 3.609 23.235 ( -1.779 1.336 1.932) 2.947 23.684 ( -1.141 -4.317 5.410) 7.015 24.139 ( -0.524 0.596 -1.659) 1.839 ======================= Grid point 134 (58/196) ======================= q-point: (-0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 7.789 16.039 -8.532) 19.767 1.275 ( 6.032 17.023 9.453) 20.384 1.544 ( -4.380 14.956 12.061) 19.706 1.969 ( -4.676 -0.981 2.037) 5.194 2.032 ( -2.128 -6.809 -3.518) 7.954 2.645 ( 1.001 -1.879 1.295) 2.491 2.699 ( 4.360 -1.863 -17.919) 18.535 3.023 ( -3.348 -2.380 0.328) 4.121 3.442 ( 2.923 0.515 6.208) 6.881 3.593 ( -2.404 -0.683 11.175) 11.451 4.250 ( -0.639 -2.030 4.042) 4.568 4.322 ( -2.552 10.882 3.813) 11.810 4.448 ( 2.174 1.312 -6.586) 7.058 5.612 ( -1.135 -1.608 -1.462) 2.452 5.686 ( 1.089 -7.356 -1.131) 7.522 5.763 ( 0.570 -5.607 1.600) 5.859 6.120 ( 3.262 2.736 -8.935) 9.897 6.308 ( -0.961 19.005 1.771) 19.111 7.194 ( -1.992 2.718 -2.604) 4.258 7.730 ( 2.255 -2.990 -2.424) 4.461 7.763 ( 1.412 -1.732 0.295) 2.253 8.660 ( -3.435 -3.146 10.258) 11.266 8.854 ( 0.870 -3.069 -4.844) 5.799 9.111 ( -2.150 -12.717 4.860) 13.782 9.565 ( 0.093 -3.195 -4.722) 5.702 9.707 ( 4.237 -4.448 -2.689) 6.706 10.777 ( -2.036 7.988 2.643) 8.657 11.088 ( 1.158 12.115 -1.189) 12.228 11.327 ( -3.008 -1.250 7.950) 8.591 12.499 ( 0.528 -2.989 1.269) 3.290 12.643 ( 1.230 -0.386 -0.939) 1.595 12.924 ( 1.318 1.855 -8.180) 8.491 13.011 ( 2.598 -1.481 0.476) 3.028 13.276 ( -1.469 0.264 -0.634) 1.622 14.220 ( -5.646 3.152 8.933) 11.028 15.083 ( 1.148 -3.041 -2.716) 4.236 15.158 ( 0.425 1.061 -1.194) 1.653 15.477 ( 4.868 -0.605 -4.671) 6.774 16.485 ( 5.810 -4.952 3.172) 8.267 17.054 ( -2.643 8.824 -4.845) 10.408 20.905 ( -5.150 -2.644 15.824) 16.850 20.939 ( -2.808 -3.525 3.805) 5.898 21.490 ( 0.535 3.194 -2.846) 4.311 22.346 ( 6.036 -5.294 -0.465) 8.042 22.996 ( 0.165 -5.508 -4.334) 7.011 23.203 ( -1.204 1.366 0.918) 2.039 23.751 ( -2.939 -3.829 3.588) 6.014 24.097 ( -1.564 3.000 -1.391) 3.658 ======================= Grid point 138 (59/196) ======================= q-point: ( 0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 5.244 -0.000 15.133) 16.016 1.096 ( 14.070 -0.000 9.290) 16.860 1.371 ( 12.007 -0.000 3.446) 12.492 2.039 ( 1.369 -0.000 -2.382) 2.748 2.278 ( -6.742 0.000 -13.350) 14.956 2.327 ( 2.171 -0.000 -9.169) 9.422 2.878 ( -6.849 0.000 6.632) 9.533 2.961 ( 5.501 -0.000 -2.740) 6.145 3.569 ( -5.364 0.000 15.193) 16.113 3.711 ( 8.609 -0.000 2.128) 8.868 4.157 ( -0.230 0.000 -0.670) 0.708 4.180 ( -4.435 0.000 -0.626) 4.479 4.480 ( 2.990 -0.000 -6.793) 7.422 5.512 ( -1.776 0.000 4.087) 4.456 5.532 ( -4.929 0.000 6.772) 8.376 5.857 ( -3.760 0.000 4.319) 5.726 5.998 ( 4.128 -0.000 -7.159) 8.264 6.070 ( -1.117 0.000 -2.252) 2.514 6.953 ( -1.381 0.000 -3.865) 4.104 7.889 ( 5.140 -0.000 3.474) 6.204 7.940 ( 3.949 -0.000 -13.432) 14.000 8.681 ( -7.484 0.000 9.400) 12.015 8.977 ( 3.853 -0.000 -8.847) 9.649 9.776 ( 0.563 -0.000 1.174) 1.302 9.850 ( -0.987 0.000 -6.079) 6.158 9.989 ( 0.121 -0.000 -2.670) 2.673 10.199 ( 0.408 -0.000 5.951) 5.965 10.315 ( -4.042 0.000 2.203) 4.604 11.332 ( -3.707 0.000 5.998) 7.051 12.515 ( -5.069 0.000 -5.882) 7.765 12.584 ( 1.438 -0.000 -2.920) 3.255 12.745 ( 1.832 -0.000 0.061) 1.833 13.335 ( 2.287 -0.000 0.371) 2.317 13.382 ( 5.230 -0.000 -2.551) 5.819 14.079 ( 0.136 -0.000 8.642) 8.643 15.075 ( 0.388 -0.000 -1.879) 1.918 15.287 ( 2.300 -0.000 0.501) 2.354 15.687 ( 2.410 -0.000 -5.699) 6.188 16.390 ( -7.200 0.000 -1.602) 7.376 17.585 ( 14.272 -0.000 -13.418) 19.589 20.813 ( -15.924 0.000 24.977) 29.621 21.151 ( -2.317 0.000 -2.006) 3.065 21.212 ( -3.757 0.000 3.929) 5.436 22.932 ( 6.565 -0.000 3.827) 7.600 23.111 ( -1.966 0.000 -0.497) 2.028 23.157 ( 2.355 -0.000 1.514) 2.800 23.637 ( -6.711 0.000 -3.161) 7.418 23.656 ( -1.331 0.000 2.903) 3.193 ======================= Grid point 139 (60/196) ======================= q-point: ( 0.40 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 4.355 -4.540 10.123) 11.919 1.281 ( 11.859 -4.744 9.423) 15.872 1.503 ( 5.982 -4.573 1.577) 7.693 2.011 ( 0.653 3.641 1.150) 3.874 2.147 ( -4.516 4.295 -10.982) 12.627 2.370 ( 4.856 -4.088 -12.556) 14.070 2.820 ( -4.748 2.353 6.338) 8.262 3.017 ( 5.062 -1.259 -0.184) 5.219 3.559 ( -5.265 0.515 15.091) 15.992 3.797 ( 5.924 -1.138 1.267) 6.164 4.136 ( -1.775 0.196 -0.777) 1.948 4.159 ( -3.719 -0.853 0.286) 3.826 4.475 ( 3.039 1.104 -6.764) 7.497 5.509 ( -1.273 -0.174 3.175) 3.425 5.602 ( -3.237 -9.248 6.737) 11.890 5.827 ( -3.887 0.897 4.597) 6.086 6.005 ( 2.737 2.037 -7.446) 8.190 6.062 ( 0.057 -1.721 -1.903) 2.567 6.949 ( -0.391 -1.526 -2.869) 3.273 7.931 ( 4.564 0.553 -8.738) 9.874 7.946 ( 3.866 -0.622 -1.464) 4.180 8.613 ( -7.745 3.355 9.809) 12.940 8.960 ( 3.621 2.837 -9.373) 10.441 9.672 ( 2.376 12.008 4.383) 13.002 9.778 ( -3.265 12.650 -1.967) 13.212 9.817 ( -0.658 1.818 -6.255) 6.547 10.333 ( 0.160 -10.674 4.441) 11.562 10.521 ( -2.374 -18.243 0.288) 18.399 11.310 ( -3.512 0.770 6.046) 7.034 12.490 ( -4.169 -2.358 -3.917) 6.187 12.596 ( 1.201 -1.580 -4.685) 5.088 12.755 ( 1.564 0.560 0.272) 1.683 13.315 ( 2.253 4.385 -0.348) 4.942 13.393 ( 3.386 1.938 -1.787) 4.291 14.121 ( 0.741 -1.585 9.379) 9.541 15.079 ( 0.595 -0.632 -1.950) 2.134 15.312 ( 2.096 -0.647 -0.039) 2.194 15.657 ( 1.361 3.642 -5.012) 6.343 16.321 ( -5.047 1.835 0.208) 5.374 17.622 ( 10.842 3.318 -9.157) 14.574 20.758 ( -10.764 -0.045 20.863) 23.476 21.058 ( -2.807 5.104 1.252) 5.958 21.267 ( -1.521 -5.429 -0.270) 5.644 22.929 ( 2.727 5.933 0.904) 6.592 23.117 ( 0.038 -2.705 0.235) 2.716 23.154 ( 2.569 3.922 1.547) 4.937 23.527 ( -4.524 2.597 -2.100) 5.623 23.752 ( -2.585 -8.176 1.043) 8.638 ======================= Grid point 140 (61/196) ======================= q-point: ( 0.50 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 3.143 -8.029 4.125) 9.558 1.459 ( 9.375 -1.738 4.856) 10.700 1.638 ( -2.769 -9.362 4.023) 10.559 1.940 ( -0.043 4.730 4.018) 6.206 2.032 ( 1.280 4.647 -6.572) 8.151 2.468 ( 7.836 -4.675 -15.581) 18.056 2.757 ( -3.280 2.817 5.989) 7.387 3.077 ( 4.101 -0.602 2.715) 4.955 3.540 ( -6.066 1.211 15.239) 16.447 3.819 ( 1.098 2.214 -1.583) 2.935 4.137 ( -4.107 -2.968 -0.741) 5.121 4.164 ( -0.144 -2.431 3.348) 4.141 4.467 ( 3.124 0.494 -6.306) 7.055 5.516 ( -0.605 -0.865 1.049) 1.488 5.750 ( -1.752 -0.325 5.477) 5.760 5.841 ( -0.636 -6.776 -0.129) 6.807 5.944 ( -1.634 -0.519 -0.153) 1.721 6.114 ( 1.774 -3.359 -4.736) 6.071 6.990 ( 0.664 -3.703 -2.052) 4.285 7.912 ( 5.831 3.586 -12.167) 13.960 7.992 ( 1.949 -1.309 1.951) 3.053 8.502 ( -7.626 4.392 10.783) 13.918 8.894 ( 3.103 4.696 -8.545) 10.233 9.420 ( -1.899 15.935 4.554) 16.681 9.602 ( -0.046 6.336 0.060) 6.337 9.764 ( 0.154 2.348 -6.371) 6.792 10.547 ( -0.196 -11.847 3.035) 12.231 10.822 ( -1.382 -16.933 -0.586) 17.000 11.283 ( -3.110 0.964 6.738) 7.483 12.483 ( -2.434 -0.148 -0.198) 2.446 12.647 ( 0.681 -4.755 -7.094) 8.567 12.758 ( 1.155 -0.105 -0.988) 1.523 13.220 ( 1.453 7.676 -0.411) 7.823 13.371 ( 1.393 2.197 -0.691) 2.692 14.188 ( 0.635 -2.290 9.777) 10.062 15.099 ( 0.884 -1.514 -2.015) 2.671 15.342 ( 2.283 -0.785 -0.785) 2.539 15.557 ( -0.048 6.906 -4.273) 8.121 16.250 ( -2.408 2.729 2.043) 4.174 17.617 ( 7.107 3.316 -6.241) 10.023 20.753 ( -6.016 -1.856 14.891) 16.167 20.959 ( -2.400 4.081 2.376) 5.297 21.354 ( -0.301 -5.390 -1.587) 5.627 22.784 ( 0.672 11.088 -4.785) 12.095 23.082 ( 1.413 5.428 2.223) 6.034 23.193 ( 0.414 -4.716 -0.458) 4.756 23.470 ( -1.771 1.121 1.593) 2.632 23.882 ( -2.310 -8.325 -0.056) 8.640 ======================= Grid point 141 (62/196) ======================= q-point: ( 0.60 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.327 -7.433 -1.688) 7.629 1.541 ( 4.539 -3.190 0.067) 5.548 1.764 ( -0.694 -0.663 6.317) 6.390 1.914 ( -0.057 -2.463 7.628) 8.016 1.959 ( 1.982 3.492 -2.657) 4.815 2.560 ( 8.245 -1.945 -13.013) 15.527 2.701 ( -1.993 2.686 4.654) 5.731 3.109 ( 1.352 0.987 3.975) 4.313 3.485 ( -6.281 3.241 13.218) 14.989 3.753 ( -1.570 3.341 -3.227) 4.903 4.154 ( -1.833 -1.491 2.054) 3.130 4.284 ( -0.622 -10.088 3.471) 10.686 4.475 ( 2.799 -0.288 -5.508) 6.185 5.536 ( 0.017 -1.682 -1.234) 2.086 5.683 ( -1.029 7.365 0.803) 7.480 5.764 ( -0.193 6.307 0.119) 6.311 6.166 ( 2.503 -3.132 -7.170) 8.215 6.204 ( -1.153 -19.621 2.769) 19.849 7.074 ( 1.185 -5.149 -1.245) 5.428 7.808 ( 4.862 10.677 -9.237) 14.932 8.028 ( -0.000 -0.936 2.334) 2.514 8.426 ( -5.224 0.470 10.015) 11.305 8.817 ( 2.299 3.927 -6.354) 7.815 9.156 ( -3.547 12.332 4.387) 13.561 9.521 ( 1.300 3.697 0.027) 3.920 9.706 ( 0.960 2.805 -6.528) 7.170 10.746 ( -0.524 -9.876 2.474) 10.195 11.077 ( -0.519 -12.924 -1.078) 12.979 11.264 ( -2.827 0.550 7.784) 8.300 12.455 ( -1.020 1.632 1.464) 2.418 12.692 ( 0.742 0.041 -1.315) 1.510 12.806 ( 1.206 -6.221 -9.208) 11.178 13.086 ( 0.060 7.608 0.879) 7.658 13.340 ( 0.139 1.832 -0.145) 1.843 14.255 ( -0.178 -1.987 9.892) 10.091 15.134 ( 0.937 -1.974 -2.251) 3.137 15.373 ( 2.577 -0.742 -1.448) 3.048 15.399 ( -1.266 8.871 -3.475) 9.611 16.210 ( 0.769 1.547 3.970) 4.329 17.583 ( 2.096 3.266 -6.410) 7.493 20.796 ( -2.809 -3.290 9.624) 10.552 20.891 ( -2.140 2.321 3.109) 4.431 21.438 ( 0.593 -4.424 -2.315) 5.028 22.554 ( 0.510 12.341 -10.145) 15.984 23.012 ( 1.171 4.510 2.949) 5.514 23.264 ( 0.064 -2.821 -1.752) 3.321 23.468 ( -0.718 -1.118 6.595) 6.727 23.997 ( -1.416 -6.602 -1.212) 6.860 ======================= Grid point 142 (63/196) ======================= q-point: (-0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -0.143 -0.856 -6.195) 6.255 1.682 ( 4.829 -6.068 1.177) 7.844 1.710 ( 0.842 4.530 3.214) 5.618 1.887 ( 1.597 4.963 2.415) 5.746 2.040 ( -4.817 -6.419 9.540) 12.467 2.600 ( 6.393 0.772 -8.469) 10.639 2.653 ( -0.597 2.501 3.105) 4.031 3.075 ( -2.961 2.799 1.781) 4.447 3.423 ( -3.698 1.681 9.733) 10.547 3.678 ( -1.271 2.968 -1.262) 3.466 4.167 ( -0.911 -0.320 4.286) 4.393 4.456 ( 1.265 -3.337 -5.009) 6.150 4.539 ( 0.343 -10.472 2.738) 10.830 5.472 ( 0.504 12.376 -4.152) 13.064 5.578 ( 0.254 -2.184 -1.738) 2.802 5.698 ( -1.815 2.253 5.483) 6.200 6.193 ( 3.246 -0.537 -10.459) 10.965 6.567 ( 0.995 -19.511 -1.504) 19.594 7.172 ( 0.942 -5.041 -0.370) 5.142 7.577 ( 2.082 15.737 -4.103) 16.396 8.031 ( -1.773 0.997 4.699) 5.121 8.449 ( -2.176 -3.266 7.671) 8.617 8.769 ( 1.175 1.516 -4.379) 4.781 8.965 ( -3.081 6.993 3.930) 8.593 9.490 ( 1.649 1.058 -1.135) 2.264 9.651 ( 1.783 2.489 -6.602) 7.278 10.886 ( -0.773 -5.586 2.612) 6.215 11.249 ( -0.996 -4.809 1.159) 5.047 11.264 ( -1.708 -2.825 5.988) 6.838 12.425 ( -0.113 1.434 1.977) 2.445 12.671 ( 0.517 2.079 -0.484) 2.196 12.902 ( 0.698 -4.735 -10.762) 11.778 12.988 ( 1.177 2.895 1.625) 3.523 13.311 ( -0.720 1.152 0.031) 1.359 14.300 ( -1.533 -0.836 9.848) 10.002 15.162 ( 0.055 -0.882 -2.801) 2.937 15.224 ( -1.730 7.558 -2.548) 8.161 15.405 ( 3.221 -0.735 -1.941) 3.832 16.237 ( 4.051 -0.903 5.455) 6.854 17.495 ( -2.780 4.455 -7.871) 9.462 20.855 ( 0.279 0.702 3.976) 4.047 20.864 ( -3.385 -3.335 5.954) 7.618 21.503 ( 1.121 -2.785 -2.742) 4.066 22.340 ( 1.895 8.820 -12.331) 15.278 22.956 ( 0.749 3.374 1.766) 3.881 23.280 ( 0.285 0.538 0.034) 0.610 23.527 ( -1.819 -3.946 7.942) 9.053 24.081 ( -0.288 -4.149 -2.010) 4.619 ======================= Grid point 143 (64/196) ======================= q-point: (-0.20 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 4.441 9.179 -9.173) 13.715 1.697 ( 1.747 0.279 4.003) 4.377 1.772 ( 4.214 5.161 6.653) 9.416 1.833 ( -5.307 -3.066 0.643) 6.163 2.064 ( -6.039 1.358 7.924) 10.055 2.605 ( -0.512 -0.910 -5.490) 5.588 2.643 ( 5.960 1.025 -0.087) 6.048 2.998 ( -4.065 1.666 -1.908) 4.789 3.415 ( -1.715 -0.264 8.751) 8.922 3.628 ( 0.041 2.021 2.078) 2.899 4.180 ( -1.099 -0.973 5.445) 5.640 4.466 ( 2.022 0.343 -6.673) 6.981 4.699 ( -1.063 -1.292 4.005) 4.340 5.315 ( 1.077 0.799 -3.872) 4.097 5.621 ( 0.728 -2.366 -2.099) 3.246 5.670 ( -2.117 0.591 5.815) 6.216 6.188 ( 3.946 0.982 -12.395) 13.045 6.812 ( 2.153 -3.400 -6.280) 7.458 7.257 ( -0.347 -2.146 1.069) 2.422 7.351 ( 0.878 4.060 -1.484) 4.411 7.982 ( -2.346 4.393 7.915) 9.352 8.522 ( -1.915 -4.284 6.860) 8.311 8.759 ( 0.279 -0.920 -3.671) 3.795 8.891 ( -1.871 0.170 3.522) 3.992 9.497 ( 1.062 -0.745 -2.808) 3.093 9.625 ( 3.056 0.425 -5.737) 6.514 10.936 ( -0.974 -0.047 3.079) 3.230 11.261 ( -2.994 -0.586 7.086) 7.714 11.330 ( 0.378 -0.889 0.094) 0.971 12.421 ( 0.462 -0.399 1.946) 2.039 12.641 ( 0.556 1.116 -1.358) 1.844 12.898 ( -2.372 -0.002 0.358) 2.399 13.027 ( 5.694 -1.749 -8.085) 10.042 13.288 ( -1.363 0.549 -0.194) 1.482 14.304 ( -3.360 1.126 9.585) 10.219 15.079 ( -1.748 3.882 -2.596) 4.986 15.184 ( 0.595 0.046 -2.085) 2.169 15.441 ( 3.195 -1.009 -2.635) 4.263 16.331 ( 6.267 -3.003 5.812) 9.059 17.342 ( -5.336 6.353 -8.646) 11.982 20.855 ( -1.774 -0.946 3.565) 4.093 20.907 ( -1.253 -0.807 5.808) 5.997 21.536 ( 1.177 -0.694 -2.952) 3.253 22.238 ( 3.942 1.580 -10.857) 11.658 22.920 ( 0.353 1.239 -0.161) 1.298 23.263 ( 0.623 1.854 2.040) 2.826 23.599 ( -3.899 -4.462 6.930) 9.118 24.127 ( 0.499 -1.492 -2.253) 2.748 ======================= Grid point 144 (65/196) ======================= q-point: (-0.10 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 7.510 12.671 -9.467) 17.510 1.621 ( 2.245 14.658 9.960) 17.863 1.709 ( -1.043 2.869 6.455) 7.140 1.855 ( -5.745 -3.973 -3.857) 7.979 1.995 ( -2.312 2.117 5.926) 6.704 2.601 ( -2.216 -1.324 -6.378) 6.880 2.695 ( 6.926 -0.953 -5.123) 8.668 2.960 ( -2.681 -1.226 -1.871) 3.491 3.447 ( -1.352 -1.997 10.587) 10.858 3.619 ( 1.868 0.874 4.124) 4.611 4.213 ( -1.519 -2.147 5.198) 5.825 4.449 ( 1.862 1.815 -6.042) 6.578 4.560 ( -1.782 12.469 2.772) 12.897 5.459 ( 1.993 -12.699 -3.001) 13.200 5.630 ( -1.078 0.475 -1.025) 1.562 5.698 ( -0.857 -3.248 4.666) 5.749 6.164 ( 4.167 1.837 -11.842) 12.688 6.641 ( -0.177 17.818 -2.184) 17.952 7.218 ( -0.975 2.342 -2.081) 3.281 7.513 ( 2.165 -13.709 -4.812) 14.690 7.894 ( -0.517 6.119 8.884) 10.800 8.591 ( -3.799 -3.769 7.770) 9.435 8.787 ( 0.102 -3.061 -4.290) 5.271 8.943 ( -1.278 -6.269 4.632) 7.899 9.511 ( 0.302 -1.533 -4.253) 4.531 9.665 ( 3.768 -2.908 -4.246) 6.379 10.888 ( -1.561 5.122 3.069) 6.171 11.244 ( -0.377 3.851 1.853) 4.290 11.312 ( -2.180 1.210 5.306) 5.863 12.457 ( 0.693 -2.406 1.574) 2.958 12.640 ( 0.809 -0.521 -1.095) 1.458 12.897 ( -1.282 -1.519 0.020) 1.988 13.057 ( 5.521 1.459 -7.408) 9.353 13.266 ( -1.765 0.296 -0.446) 1.845 14.256 ( -4.716 3.029 8.865) 10.488 15.046 ( 0.827 -1.217 -1.987) 2.472 15.174 ( 0.408 0.799 -1.818) 2.027 15.479 ( 3.028 -1.316 -3.444) 4.770 16.457 ( 4.955 -3.836 4.197) 7.542 17.161 ( -2.574 7.070 -7.101) 10.346 20.874 ( -3.601 -1.985 4.253) 5.916 20.906 ( -1.064 0.864 7.461) 7.586 21.529 ( 0.769 1.527 -2.973) 3.429 22.291 ( 5.631 -5.177 -6.274) 9.893 22.924 ( 0.254 -1.801 -2.067) 2.753 23.238 ( 0.974 2.362 2.028) 3.262 23.651 ( -6.177 -4.219 5.285) 9.159 24.127 ( 0.370 1.301 -1.882) 2.318 ======================= Grid point 149 (66/196) ======================= q-point: ( 0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -1.580 0.000 11.404) 11.513 1.338 ( 8.343 -0.000 6.436) 10.537 1.539 ( 6.909 -0.000 0.427) 6.922 2.061 ( 2.374 -0.000 -1.032) 2.589 2.119 ( -2.886 0.000 -9.208) 9.650 2.333 ( 3.129 -0.000 -7.886) 8.484 2.823 ( -4.443 0.000 8.801) 9.859 3.051 ( 6.112 -0.000 -0.385) 6.124 3.562 ( -5.054 0.000 14.617) 15.466 3.837 ( 4.871 -0.000 0.450) 4.892 4.088 ( -5.092 0.000 -1.845) 5.416 4.153 ( 0.025 -0.000 -0.257) 0.258 4.493 ( 2.905 -0.000 -6.904) 7.490 5.505 ( -3.118 0.000 8.824) 9.359 5.512 ( -1.059 0.000 3.975) 4.113 5.818 ( -3.470 0.000 4.758) 5.889 6.023 ( 3.427 -0.000 -7.707) 8.434 6.044 ( -0.528 0.000 -2.168) 2.231 6.928 ( 0.134 -0.000 -2.131) 2.135 7.946 ( 4.964 -0.000 -11.847) 12.845 7.964 ( 2.069 -0.000 1.608) 2.620 8.610 ( -6.745 0.000 9.132) 11.353 8.992 ( 3.842 -0.000 -9.622) 10.361 9.800 ( 1.008 -0.000 0.724) 1.241 9.806 ( -0.063 0.000 -6.489) 6.489 9.963 ( -1.356 0.000 -3.236) 3.509 10.238 ( 0.407 -0.000 5.653) 5.667 10.262 ( -3.442 0.000 3.310) 4.776 11.304 ( -3.202 0.000 5.508) 6.371 12.422 ( -2.245 0.000 -5.699) 6.125 12.587 ( 0.755 -0.000 -2.841) 2.940 12.773 ( 1.233 -0.000 0.678) 1.407 13.361 ( 0.751 -0.000 -0.399) 0.851 13.439 ( 3.360 -0.000 -3.390) 4.773 14.139 ( 0.776 -0.000 10.647) 10.675 15.074 ( 0.635 -0.000 -1.978) 2.078 15.315 ( 0.833 -0.000 -0.416) 0.932 15.690 ( 1.457 -0.000 -4.838) 5.053 16.314 ( -2.071 0.000 3.095) 3.724 17.700 ( 7.250 -0.000 -10.132) 12.458 20.727 ( -9.673 0.000 21.794) 23.845 21.113 ( -1.034 0.000 -1.640) 1.938 21.179 ( -2.277 0.000 2.168) 3.144 22.997 ( 0.291 -0.000 0.686) 0.745 23.094 ( -0.210 0.000 0.897) 0.922 23.230 ( 3.813 -0.000 2.187) 4.396 23.518 ( -4.463 0.000 -3.750) 5.829 23.643 ( -1.502 0.000 0.770) 1.688 ======================= Grid point 150 (67/196) ======================= q-point: ( 0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -3.612 -5.919 7.056) 9.893 1.461 ( 0.174 -7.449 4.915) 8.926 1.560 ( 3.299 2.231 0.397) 4.002 2.027 ( 1.164 4.059 1.046) 4.350 2.095 ( 3.671 1.827 -4.124) 5.816 2.395 ( 5.700 -5.376 -11.080) 13.570 2.797 ( -2.661 2.101 8.891) 9.516 3.108 ( 4.739 -0.672 2.255) 5.291 3.549 ( -5.418 0.878 15.088) 16.055 3.847 ( -1.121 1.093 -2.696) 3.117 4.069 ( -1.834 -1.480 -1.233) 2.660 4.151 ( 0.183 -0.132 1.318) 1.337 4.489 ( 2.945 0.817 -6.717) 7.379 5.507 ( -1.174 -0.103 3.276) 3.482 5.604 ( -1.434 -9.771 8.189) 12.829 5.795 ( -2.777 1.158 5.180) 5.990 6.000 ( 1.479 3.126 -6.771) 7.603 6.061 ( 1.150 -2.547 -3.255) 4.289 6.943 ( 1.035 -1.869 -1.482) 2.600 7.959 ( 6.243 0.369 -11.563) 13.146 7.984 ( 0.066 -0.881 0.778) 1.177 8.548 ( -6.220 3.616 9.748) 12.116 8.970 ( 3.456 3.072 -9.398) 10.474 9.699 ( -4.659 15.186 -1.555) 15.960 9.739 ( 2.812 9.144 2.621) 9.920 9.783 ( 0.803 1.560 -6.258) 6.499 10.349 ( -1.192 -10.188 3.658) 10.890 10.496 ( -0.598 -18.282 1.133) 18.327 11.289 ( -2.704 0.538 5.686) 6.319 12.427 ( -0.428 -3.062 -4.504) 5.463 12.589 ( 0.554 -0.756 -3.886) 3.997 12.777 ( 0.820 0.690 0.805) 1.340 13.331 ( 0.171 3.825 -1.101) 3.984 13.422 ( 1.447 2.701 -2.800) 4.151 14.186 ( 0.280 -1.401 11.363) 11.452 15.080 ( 0.713 -0.739 -1.881) 2.143 15.327 ( -0.035 -1.109 -1.303) 1.711 15.653 ( 1.258 4.073 -4.411) 6.134 16.301 ( 0.924 2.169 5.382) 5.875 17.696 ( 3.863 2.619 -9.357) 10.456 20.720 ( -6.682 -0.849 19.520) 20.650 21.030 ( -1.147 5.120 0.830) 5.313 21.248 ( -0.512 -5.836 -0.045) 5.859 22.934 ( -1.190 6.715 -2.044) 7.120 23.122 ( 0.309 -2.916 0.587) 2.990 23.195 ( 0.187 5.158 1.240) 5.308 23.481 ( 0.578 0.648 -0.913) 1.260 23.714 ( -2.200 -7.820 -0.390) 8.133 ======================= Grid point 151 (68/196) ======================= q-point: (-0.40 -0.60 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -4.079 -9.246 1.860) 10.275 1.496 ( -7.095 -2.149 -0.906) 7.468 1.664 ( 2.245 -8.094 7.273) 11.111 1.969 ( 0.236 4.379 6.092) 7.506 2.074 ( 6.975 4.395 -3.353) 8.900 2.526 ( 8.106 -5.542 -13.639) 16.806 2.756 ( -1.122 3.111 7.652) 8.336 3.147 ( 1.415 0.739 4.651) 4.917 3.517 ( -6.295 2.078 15.322) 16.694 3.778 ( -3.402 2.414 -5.391) 6.816 4.091 ( -0.861 -2.781 0.025) 2.911 4.190 ( 0.801 -3.036 3.551) 4.740 4.485 ( 2.842 0.399 -6.179) 6.813 5.511 ( -0.660 -0.752 1.010) 1.422 5.753 ( -1.374 2.532 5.167) 5.916 5.845 ( 0.922 -10.573 1.544) 10.725 5.920 ( -0.815 0.612 -0.806) 1.300 6.116 ( 1.463 -3.314 -5.028) 6.197 7.003 ( 1.797 -3.846 -0.857) 4.330 7.955 ( 6.861 3.779 -11.762) 14.131 8.001 ( -1.606 -1.479 0.414) 2.223 8.451 ( -5.429 3.964 11.483) 13.306 8.900 ( 2.860 4.781 -8.454) 10.125 9.377 ( -4.522 15.361 2.058) 16.145 9.628 ( 2.021 6.704 1.740) 7.215 9.744 ( 1.666 2.292 -6.665) 7.242 10.548 ( -1.564 -11.987 2.651) 12.376 10.809 ( 0.367 -16.687 -0.372) 16.695 11.273 ( -2.325 0.695 6.564) 6.998 12.469 ( 1.035 -0.899 0.060) 1.372 12.622 ( 1.035 -4.720 -7.793) 9.170 12.769 ( 0.409 0.849 0.033) 0.943 13.222 ( -0.686 7.488 -1.176) 7.611 13.374 ( -0.319 2.384 -1.425) 2.795 14.245 ( -0.650 -1.858 11.441) 11.609 15.102 ( 0.719 -1.577 -1.858) 2.541 15.339 ( -1.551 -1.124 -2.612) 3.239 15.554 ( 2.119 7.081 -3.412) 8.141 16.289 ( 3.978 2.994 7.144) 8.708 17.627 ( -1.038 3.705 -9.455) 10.208 20.747 ( -4.267 -2.079 15.106) 15.834 20.944 ( -0.711 4.065 2.227) 4.689 21.350 ( 0.675 -5.547 -1.117) 5.699 22.738 ( -2.060 11.599 -7.407) 13.916 23.113 ( 0.511 4.784 2.708) 5.521 23.197 ( 0.797 -4.626 -0.465) 4.717 23.480 ( 0.896 0.877 3.135) 3.376 23.846 ( -1.301 -8.665 -1.375) 8.869 ======================= Grid point 152 (69/196) ======================= q-point: (-0.30 -0.60 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -4.789 -6.704 -3.283) 8.869 1.539 ( -4.598 -8.717 1.572) 9.980 1.796 ( -1.564 -1.556 5.757) 6.166 1.928 ( -1.432 -0.798 5.928) 6.151 2.044 ( 7.643 5.566 2.505) 9.782 2.620 ( 5.964 -1.546 -11.809) 13.320 2.716 ( 0.876 2.883 4.942) 5.789 3.112 ( -3.456 3.540 3.521) 6.072 3.460 ( -4.610 2.766 13.254) 14.303 3.705 ( -1.351 1.931 -4.352) 4.949 4.148 ( -0.398 -2.767 2.348) 3.651 4.298 ( -0.121 -8.659 3.970) 9.527 4.489 ( 2.311 -0.281 -5.602) 6.066 5.531 ( 0.076 -1.724 -0.958) 1.974 5.672 ( -0.418 8.178 -0.364) 8.196 5.763 ( 0.035 5.917 0.356) 5.928 6.164 ( 2.020 -2.652 -7.855) 8.533 6.216 ( 0.337 -20.103 3.641) 20.433 7.096 ( 1.949 -4.808 -0.282) 5.195 7.840 ( 4.511 12.016 -8.899) 15.619 8.010 ( -3.416 -1.539 1.731) 4.128 8.417 ( -2.349 -0.689 10.281) 10.569 8.819 ( 1.934 4.110 -6.667) 8.067 9.111 ( -3.888 11.460 3.992) 12.743 9.550 ( 1.865 4.227 0.359) 4.634 9.697 ( 2.143 2.764 -6.925) 7.758 10.741 ( -1.507 -10.199 2.421) 10.590 11.074 ( 0.838 -12.744 -1.168) 12.825 11.262 ( -2.320 0.516 7.735) 8.092 12.467 ( 1.147 1.954 2.096) 3.087 12.696 ( 0.916 -1.053 -2.017) 2.452 12.784 ( 1.812 -4.840 -8.934) 10.321 13.081 ( -1.102 6.596 0.718) 6.725 13.328 ( -1.217 1.800 -0.755) 2.300 14.294 ( -1.828 -1.354 11.110) 11.340 15.133 ( 0.441 -1.686 -2.138) 2.759 15.293 ( -4.400 3.501 -3.856) 6.818 15.464 ( 4.678 4.180 -2.074) 6.607 16.310 ( 6.755 1.753 8.364) 10.893 17.504 ( -6.093 3.781 -10.280) 12.534 20.796 ( -3.284 -3.026 9.294) 10.311 20.892 ( 0.181 2.202 4.090) 4.649 21.443 ( 1.347 -4.388 -1.967) 4.994 22.492 ( -1.027 11.179 -11.140) 15.815 23.041 ( 0.484 4.722 2.255) 5.256 23.278 ( 2.403 -2.644 -1.057) 3.726 23.485 ( -1.766 -0.608 7.409) 7.640 23.978 ( 0.362 -6.994 -1.990) 7.281 ======================= Grid point 153 (70/196) ======================= q-point: (-0.20 -0.60 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -3.176 -4.669 -6.436) 8.562 1.670 ( -4.413 -7.993 0.787) 9.165 1.738 ( -0.820 5.024 2.079) 5.499 1.976 ( 3.355 0.622 4.112) 5.344 2.024 ( -1.150 2.031 11.169) 11.410 2.604 ( -0.629 2.119 -5.383) 5.819 2.710 ( 4.723 1.443 -0.426) 4.957 3.010 ( -3.942 3.836 -0.295) 5.508 3.429 ( -2.604 1.039 11.181) 11.528 3.664 ( 0.276 1.471 -1.256) 1.954 4.176 ( -0.827 -0.360 4.523) 4.612 4.455 ( 1.726 -3.061 -4.642) 5.822 4.554 ( -0.162 -10.349 2.369) 10.618 5.458 ( 0.593 12.320 -4.633) 13.176 5.576 ( 0.420 -2.421 -0.791) 2.582 5.700 ( -1.088 2.579 4.679) 5.453 6.188 ( 2.877 -0.785 -10.942) 11.341 6.584 ( 1.815 -18.975 -1.200) 19.100 7.191 ( 1.408 -4.206 0.081) 4.436 7.585 ( 1.346 16.375 -3.987) 16.907 8.006 ( -4.165 -0.457 4.855) 6.413 8.466 ( -0.754 -2.785 7.510) 8.045 8.762 ( 0.894 1.896 -4.636) 5.088 8.940 ( -2.301 6.089 4.330) 7.818 9.511 ( 1.597 1.812 -1.545) 2.867 9.653 ( 2.478 1.951 -6.735) 7.436 10.881 ( -1.347 -5.948 2.593) 6.627 11.245 ( -0.739 -3.037 3.150) 4.438 11.268 ( -0.977 -4.147 4.002) 5.845 12.446 ( 0.984 1.728 2.013) 2.829 12.670 ( -0.372 2.227 -0.573) 2.330 12.867 ( 1.090 -2.797 -7.797) 8.355 13.021 ( 2.634 -0.367 -0.997) 2.840 13.289 ( -1.655 1.123 -0.534) 2.070 14.315 ( -3.165 0.091 10.523) 10.989 15.126 ( -2.271 3.241 -3.210) 5.095 15.186 ( -0.617 1.367 -2.170) 2.638 15.457 ( 3.599 0.654 -2.493) 4.426 16.381 ( 7.816 -0.195 8.125) 11.276 17.350 ( -7.807 3.714 -10.398) 13.522 20.825 ( -3.087 -1.223 3.880) 5.107 20.903 ( 0.743 -0.933 6.509) 6.618 21.511 ( 1.453 -2.559 -2.535) 3.884 22.300 ( 1.262 6.437 -12.529) 14.142 22.969 ( -0.034 3.811 0.591) 3.857 23.315 ( 3.561 1.000 0.337) 3.714 23.512 ( -5.035 -2.940 8.693) 10.467 24.081 ( 1.598 -4.148 -2.118) 4.923 ======================= Grid point 154 (71/196) ======================= q-point: (-0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 3.038 3.853 -9.636) 10.814 1.672 ( -3.030 0.022 2.564) 3.969 1.737 ( -5.113 -4.438 -3.799) 7.763 1.904 ( 0.419 11.043 10.105) 14.974 2.035 ( -0.148 0.056 8.295) 8.297 2.556 ( -1.844 0.130 -5.035) 5.364 2.727 ( 3.829 0.340 -2.568) 4.623 2.941 ( -0.734 1.273 -0.817) 1.681 3.433 ( -2.525 -0.668 10.648) 10.964 3.654 ( 1.603 0.404 1.289) 2.097 4.186 ( -1.725 -0.782 5.250) 5.581 4.467 ( 2.272 0.366 -6.454) 6.852 4.698 ( -1.442 0.015 3.503) 3.789 5.315 ( 1.294 -0.602 -3.734) 3.998 5.622 ( 0.631 -1.760 -2.014) 2.748 5.670 ( -1.698 0.645 6.102) 6.367 6.186 ( 3.798 0.450 -12.617) 13.183 6.816 ( 2.162 -1.753 -6.171) 6.769 7.258 ( -0.281 0.033 1.007) 1.046 7.357 ( 0.761 2.465 -1.602) 3.036 7.978 ( -3.068 2.057 7.736) 8.572 8.522 ( -2.256 -2.754 6.487) 7.400 8.746 ( 0.529 -0.569 -3.403) 3.491 8.886 ( -1.082 -0.347 4.179) 4.330 9.496 ( 0.905 0.451 -3.501) 3.644 9.646 ( 2.766 -0.756 -5.708) 6.388 10.932 ( -1.296 -0.102 2.759) 3.050 11.254 ( -2.616 -0.255 7.988) 8.409 11.336 ( 0.326 -0.771 -0.451) 0.951 12.442 ( 0.609 -0.216 1.651) 1.773 12.638 ( -0.025 0.517 -1.523) 1.608 12.872 ( -0.794 -0.419 0.311) 0.950 13.082 ( 5.402 -1.649 -7.521) 9.405 13.258 ( -1.646 0.619 -0.368) 1.796 14.290 ( -4.178 2.144 9.614) 10.700 15.046 ( -0.439 1.554 -2.015) 2.583 15.181 ( 0.501 0.070 -2.084) 2.144 15.474 ( 2.179 -0.511 -3.086) 3.812 16.463 ( 3.689 -0.848 4.823) 6.131 17.213 ( -2.561 3.323 -7.666) 8.739 20.829 ( -2.760 -1.180 3.483) 4.598 20.932 ( -0.186 0.308 5.934) 5.944 21.540 ( 1.060 -0.312 -2.867) 3.073 22.243 ( 3.635 -1.437 -11.322) 11.978 22.920 ( -0.174 1.430 -0.642) 1.577 23.312 ( 3.669 2.894 2.047) 5.102 23.540 ( -7.323 -3.504 7.246) 10.881 24.135 ( 1.608 -0.969 -1.850) 2.636 ======================= Grid point 160 (72/196) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -7.664 0.000 6.082) 9.784 1.376 ( -6.439 0.000 1.946) 6.727 1.594 ( -0.728 0.000 0.274) 0.778 2.103 ( 2.429 -0.000 1.066) 2.652 2.139 ( 8.701 -0.000 -3.045) 9.218 2.353 ( 4.232 -0.000 -6.840) 8.043 2.826 ( -1.321 0.000 10.444) 10.528 3.146 ( 4.256 -0.000 2.977) 5.193 3.555 ( -5.068 0.000 14.855) 15.696 3.812 ( -6.665 0.000 -5.144) 8.419 4.060 ( 2.771 -0.000 -0.080) 2.772 4.155 ( 0.186 -0.000 0.395) 0.436 4.502 ( 2.606 -0.000 -7.238) 7.693 5.510 ( -1.740 0.000 3.662) 4.054 5.522 ( -1.089 0.000 10.334) 10.391 5.804 ( -1.294 0.000 5.284) 5.440 6.023 ( 1.527 -0.000 -6.717) 6.889 6.037 ( 1.182 -0.000 -3.634) 3.821 6.934 ( 1.577 -0.000 -1.046) 1.892 7.969 ( -2.005 0.000 -0.006) 2.005 7.986 ( 7.082 -0.000 -10.860) 12.965 8.560 ( -5.077 0.000 9.015) 10.346 9.000 ( 2.976 -0.000 -9.348) 9.810 9.784 ( 1.612 -0.000 -7.088) 7.269 9.804 ( -0.593 0.000 -0.267) 0.650 9.914 ( -2.026 0.000 -4.312) 4.764 10.251 ( -0.307 0.000 4.541) 4.552 10.269 ( -0.170 0.000 5.564) 5.566 11.288 ( -2.092 0.000 5.235) 5.637 12.387 ( 1.785 -0.000 -6.210) 6.461 12.581 ( 0.204 -0.000 -2.109) 2.118 12.792 ( 0.455 -0.000 1.066) 1.159 13.356 ( -0.743 0.000 -1.307) 1.503 13.451 ( 0.470 -0.000 -4.236) 4.262 14.204 ( -0.534 0.000 12.670) 12.682 15.075 ( 0.705 -0.000 -1.752) 1.889 15.307 ( -1.134 0.000 -1.660) 2.011 15.688 ( 1.283 -0.000 -4.800) 4.969 16.358 ( 3.603 -0.000 8.016) 8.789 17.716 ( 1.355 -0.000 -11.688) 11.766 20.719 ( -5.091 0.000 22.030) 22.611 21.105 ( 1.052 -0.000 -1.158) 1.565 21.163 ( -1.160 0.000 3.237) 3.438 22.970 ( -3.031 0.000 -1.912) 3.583 23.111 ( 1.178 -0.000 2.124) 2.429 23.234 ( -3.525 0.000 -1.636) 3.886 23.502 ( 3.989 -0.000 -0.558) 4.028 23.614 ( -1.952 0.000 -1.018) 2.201 ======================= Grid point 161 (73/196) ======================= q-point: (-0.40 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -8.838 -7.222 3.010) 11.803 1.348 ( -11.786 -4.124 1.056) 12.532 1.590 ( -3.322 -2.662 1.868) 4.648 2.071 ( 1.592 4.591 4.131) 6.378 2.198 ( 9.597 2.406 -1.840) 10.064 2.443 ( 6.499 -6.396 -9.393) 13.091 2.825 ( 0.021 2.495 9.556) 9.877 3.182 ( 1.538 0.474 5.194) 5.438 3.539 ( -5.514 1.402 15.680) 16.681 3.734 ( -7.370 -0.313 -6.840) 10.060 4.082 ( 2.411 0.602 -0.339) 2.508 4.169 ( 1.008 -1.334 1.983) 2.594 4.498 ( 2.427 0.452 -7.111) 7.527 5.502 ( -1.396 -0.034 3.048) 3.353 5.634 ( -0.522 -9.855 9.258) 13.532 5.796 ( -0.468 1.636 5.213) 5.483 5.990 ( 1.738 3.334 -7.021) 7.964 6.060 ( 0.854 -2.512 -3.603) 4.475 6.966 ( 2.286 -2.047 -0.657) 3.139 7.953 ( -3.867 -0.965 -0.477) 4.014 8.020 ( 8.122 0.330 -11.491) 14.076 8.511 ( -4.541 3.521 10.225) 11.729 8.971 ( 2.392 2.970 -9.034) 9.806 9.616 ( -4.095 15.033 -0.928) 15.609 9.765 ( 1.813 2.983 -5.262) 6.315 9.805 ( 3.298 6.872 -0.778) 7.662 10.330 ( -2.998 -10.360 3.379) 11.302 10.516 ( 1.724 -16.952 1.769) 17.131 11.283 ( -1.575 0.434 5.602) 5.836 12.430 ( 3.946 -3.875 -5.754) 7.981 12.576 ( -0.001 -0.028 -2.474) 2.475 12.790 ( 0.061 0.817 1.080) 1.355 13.312 ( -1.448 3.858 -1.872) 4.526 13.409 ( -1.032 2.620 -3.457) 4.459 14.241 ( -1.540 -1.154 13.143) 13.283 15.083 ( 0.718 -0.754 -1.494) 1.821 15.299 ( -1.909 -0.928 -2.429) 3.226 15.653 ( 1.528 3.603 -4.760) 6.162 16.400 ( 5.858 2.106 9.502) 11.360 17.647 ( -2.636 3.530 -13.447) 14.151 20.744 ( -3.232 -0.019 21.056) 21.303 21.033 ( 0.599 5.411 2.375) 5.939 21.253 ( 0.770 -5.939 1.223) 6.112 22.871 ( -4.423 7.328 -4.915) 9.870 23.131 ( 0.298 -2.187 0.303) 2.228 23.182 ( -1.109 2.068 1.023) 2.560 23.526 ( 3.575 1.418 1.063) 3.990 23.678 ( -1.066 -8.052 -1.884) 8.338 ======================= Grid point 162 (74/196) ======================= q-point: (-0.30 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -8.152 -10.334 -0.969) 13.198 1.340 ( -11.305 -6.638 2.288) 13.308 1.659 ( -6.190 -8.114 3.345) 10.740 2.007 ( 0.308 4.956 6.680) 8.323 2.208 ( 8.991 4.605 -0.147) 10.103 2.580 ( 6.006 -4.969 -11.377) 13.791 2.792 ( 0.762 3.582 5.565) 6.662 3.157 ( -3.366 3.379 5.634) 7.382 3.505 ( -4.640 2.132 15.901) 16.701 3.683 ( -3.632 -0.988 -6.232) 7.281 4.097 ( 0.813 -1.811 1.071) 2.256 4.224 ( 0.999 -2.736 3.466) 4.528 4.492 ( 2.049 0.240 -6.788) 7.095 5.507 ( -0.485 -0.832 1.394) 1.695 5.761 ( -0.638 3.099 4.323) 5.357 5.875 ( 2.288 -3.469 -2.324) 4.761 5.914 ( -0.290 -6.097 2.888) 6.753 6.110 ( 1.078 -3.209 -5.161) 6.172 7.037 ( 2.570 -3.791 -0.054) 4.580 7.939 ( -5.144 -1.867 -0.204) 5.476 8.015 ( 6.933 5.148 -12.479) 15.176 8.444 ( -2.998 2.695 12.281) 12.925 8.897 ( 2.050 4.584 -8.181) 9.599 9.318 ( -3.539 14.386 2.537) 15.030 9.669 ( 1.957 6.985 0.488) 7.270 9.749 ( 2.946 2.999 -6.719) 7.926 10.527 ( -2.335 -12.670 2.616) 13.146 10.827 ( 1.701 -15.863 -0.336) 15.957 11.276 ( -1.414 0.702 6.637) 6.822 12.514 ( 3.388 0.200 1.294) 3.633 12.603 ( 2.392 -6.127 -9.145) 11.265 12.770 ( -0.380 1.426 0.086) 1.478 13.189 ( -2.267 6.961 -1.378) 7.450 13.348 ( -1.718 2.111 -1.796) 3.261 14.282 ( -2.608 -1.427 12.826) 13.166 15.105 ( 0.701 -1.388 -1.410) 2.099 15.282 ( -2.985 0.334 -3.290) 4.455 15.575 ( 2.386 5.176 -4.364) 7.179 16.437 ( 7.704 2.709 10.130) 13.011 17.487 ( -8.307 4.883 -13.692) 16.743 20.770 ( -2.623 -0.308 15.577) 15.800 20.962 ( 0.617 4.133 5.016) 6.529 21.365 ( 1.570 -5.344 -0.431) 5.587 22.645 ( -4.054 10.973 -8.588) 14.512 23.131 ( 0.430 4.104 1.906) 4.545 23.214 ( 1.099 -5.454 0.185) 5.567 23.519 ( 1.503 2.225 3.814) 4.664 23.832 ( 0.969 -9.384 -2.042) 9.653 ======================= Grid point 163 (75/196) ======================= q-point: (-0.20 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -7.442 -8.112 -4.634) 11.944 1.437 ( -8.174 -11.624 0.724) 14.229 1.752 ( -6.475 -5.713 5.168) 10.063 1.951 ( 0.403 2.615 6.102) 6.651 2.187 ( 5.744 5.685 5.403) 9.721 2.615 ( -0.563 1.142 -7.131) 7.243 2.765 ( 3.666 1.503 -3.177) 5.079 3.060 ( -3.571 4.604 3.451) 6.772 3.470 ( -3.316 2.531 14.088) 14.693 3.667 ( -1.004 -0.479 -3.160) 3.350 4.162 ( 0.296 -2.704 2.821) 3.918 4.318 ( -0.175 -7.842 4.387) 8.987 4.490 ( 1.488 -0.401 -6.320) 6.505 5.533 ( 0.719 -1.760 -0.139) 1.906 5.664 ( 0.078 9.273 -1.717) 9.431 5.770 ( 0.442 5.304 0.563) 5.352 6.152 ( 1.774 -2.598 -8.612) 9.168 6.246 ( 0.898 -19.785 3.539) 20.119 7.133 ( 2.376 -4.323 0.397) 4.949 7.856 ( 2.911 13.331 -8.901) 16.292 7.939 ( -6.032 -2.696 1.958) 6.891 8.452 ( 0.113 -1.046 9.765) 9.822 8.814 ( 1.790 4.151 -6.203) 7.676 9.081 ( -2.398 10.610 4.745) 11.867 9.580 ( 1.695 4.737 -0.446) 5.051 9.698 ( 2.306 2.955 -7.386) 8.283 10.727 ( -1.498 -10.582 2.583) 10.995 11.087 ( 1.357 -12.255 -1.318) 12.401 11.270 ( -1.631 0.781 7.901) 8.105 12.499 ( 1.000 2.548 1.819) 3.286 12.701 ( 0.036 0.868 -0.158) 0.883 12.776 ( 4.093 -5.881 -11.003) 13.131 13.065 ( -1.168 4.247 1.047) 4.527 13.297 ( -1.779 1.600 -0.924) 2.565 14.310 ( -3.586 -0.785 11.991) 12.540 15.128 ( 0.295 -0.671 -1.855) 1.995 15.210 ( -3.145 3.232 -3.253) 5.561 15.510 ( 2.750 3.049 -3.936) 5.688 16.487 ( 7.633 2.051 9.235) 12.155 17.300 ( -10.268 2.786 -11.833) 15.913 20.793 ( -2.216 -0.963 7.755) 8.123 20.930 ( 0.342 1.629 7.575) 7.756 21.460 ( 1.746 -4.043 -1.747) 4.738 22.409 ( -1.876 9.306 -10.860) 14.424 23.051 ( -0.082 5.204 0.393) 5.219 23.314 ( 1.631 -4.032 -0.494) 4.377 23.499 ( -0.551 2.034 7.618) 7.904 23.993 ( 2.615 -7.218 -1.577) 7.838 ======================= Grid point 164 (76/196) ======================= q-point: (-0.10 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -4.224 -7.863 -7.907) 11.924 1.553 ( -7.187 -8.623 -5.795) 12.633 1.745 ( -1.189 3.540 6.180) 7.220 1.982 ( -2.371 -2.607 7.886) 8.637 2.121 ( 1.771 6.612 9.230) 11.491 2.546 ( -2.279 1.810 -5.639) 6.346 2.758 ( 2.788 1.529 -6.309) 7.065 2.983 ( 0.255 3.043 2.672) 4.058 3.442 ( -3.205 1.158 11.454) 11.951 3.663 ( -0.310 -0.265 0.014) 0.408 4.183 ( -1.133 0.249 4.271) 4.426 4.462 ( 2.069 -2.024 -5.039) 5.811 4.559 ( -0.859 -11.245 2.915) 11.648 5.445 ( 0.920 12.183 -4.700) 13.091 5.585 ( 0.828 -2.202 0.363) 2.381 5.708 ( -0.745 2.881 3.841) 4.858 6.175 ( 2.869 -1.143 -11.739) 12.139 6.610 ( 1.906 -18.414 -1.327) 18.560 7.218 ( 1.596 -3.090 0.299) 3.491 7.577 ( 0.209 16.535 -4.284) 17.082 7.951 ( -5.465 -2.724 5.252) 8.054 8.499 ( 0.100 -1.013 7.021) 7.095 8.758 ( 1.535 2.086 -3.605) 4.439 8.935 ( -1.225 5.548 4.639) 7.335 9.525 ( 1.347 2.679 -2.314) 3.788 9.655 ( 1.798 1.403 -7.002) 7.364 10.873 ( -1.204 -6.053 2.659) 6.720 11.256 ( -0.275 -2.371 3.603) 4.322 11.273 ( -0.851 -4.019 3.694) 5.525 12.467 ( 0.174 1.940 1.472) 2.441 12.652 ( -0.977 2.046 -1.478) 2.706 12.860 ( 1.809 -1.443 -3.990) 4.612 13.059 ( 3.124 -2.525 -3.937) 5.624 13.260 ( -1.152 0.984 -0.178) 1.525 14.309 ( -4.179 0.733 10.835) 11.636 15.078 ( -1.341 3.393 -2.420) 4.378 15.174 ( 0.356 -0.548 -1.939) 2.046 15.485 ( 1.662 1.021 -3.797) 4.269 16.512 ( 1.500 2.409 4.412) 5.246 17.195 ( -2.922 -0.613 -6.797) 7.424 20.805 ( -1.630 -0.575 3.605) 3.998 20.944 ( -0.395 -0.341 7.497) 7.515 21.522 ( 1.391 -2.076 -2.539) 3.563 22.254 ( 0.966 3.946 -11.886) 12.562 22.963 ( -0.429 3.965 -0.993) 4.110 23.371 ( 1.554 -1.219 -1.609) 2.548 23.481 ( -2.708 1.186 10.680) 11.081 24.108 ( 2.507 -3.582 -1.282) 4.556 ======================= Grid point 171 (77/196) ======================= q-point: (-0.40 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -11.842 0.000 2.113) 12.029 1.203 ( -14.156 0.000 1.974) 14.293 1.512 ( -9.620 0.000 0.836) 9.656 2.144 ( 1.013 -0.000 3.059) 3.223 2.298 ( 10.230 -0.000 -2.608) 10.557 2.406 ( 6.329 -0.000 -6.348) 8.964 2.883 ( 1.182 -0.000 10.584) 10.649 3.214 ( 0.803 -0.000 6.357) 6.407 3.552 ( -4.982 0.000 15.804) 16.571 3.634 ( -9.433 0.000 -7.663) 12.154 4.122 ( 4.005 -0.000 -0.505) 4.036 4.163 ( 0.319 -0.000 1.096) 1.142 4.501 ( 2.019 -0.000 -7.781) 8.039 5.499 ( -1.583 0.000 3.903) 4.212 5.569 ( -0.057 0.000 10.285) 10.285 5.825 ( 0.325 -0.000 5.087) 5.098 6.016 ( 2.220 -0.000 -7.674) 7.989 6.033 ( 0.432 -0.000 -3.055) 3.086 6.967 ( 3.054 -0.000 -0.809) 3.159 7.903 ( -5.550 0.000 -0.744) 5.599 8.060 ( 8.606 -0.000 -11.743) 14.559 8.536 ( -3.778 0.000 9.790) 10.494 8.990 ( 1.574 -0.000 -8.791) 8.931 9.776 ( 2.000 -0.000 -9.108) 9.325 9.797 ( 0.202 -0.000 0.858) 0.882 9.860 ( -1.294 0.000 -4.158) 4.355 10.286 ( 1.207 -0.000 3.926) 4.108 10.292 ( -0.490 0.000 5.512) 5.534 11.291 ( -0.919 0.000 5.328) 5.407 12.411 ( 5.478 -0.000 -8.149) 9.819 12.577 ( 0.145 -0.000 -0.082) 0.166 12.800 ( -0.183 0.000 1.204) 1.218 13.327 ( -1.649 0.000 -1.788) 2.432 13.412 ( -2.254 0.000 -4.822) 5.323 14.250 ( -2.536 0.000 14.294) 14.517 15.079 ( 0.743 -0.000 -1.190) 1.403 15.267 ( -2.188 0.000 -2.485) 3.311 15.681 ( 1.194 -0.000 -5.763) 5.885 16.498 ( 6.840 -0.000 10.644) 12.652 17.617 ( -4.013 0.000 -18.456) 18.887 20.794 ( -0.456 0.000 24.716) 24.720 21.134 ( 2.927 -0.000 -0.684) 3.006 21.183 ( 0.022 -0.000 9.609) 9.609 22.870 ( -6.881 0.000 -4.950) 8.476 23.150 ( 1.984 -0.000 2.683) 3.337 23.161 ( -2.874 0.000 -1.895) 3.442 23.567 ( -2.634 0.000 -2.508) 3.637 23.593 ( 6.007 -0.000 0.439) 6.023 ======================= Grid point 172 (78/196) ======================= q-point: (-0.30 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -11.911 -8.903 0.192) 14.872 1.134 ( -14.991 -4.994 3.428) 16.169 1.465 ( -12.241 -5.487 1.614) 13.511 2.110 ( 0.171 4.311 5.221) 6.773 2.342 ( 8.321 2.699 -3.305) 9.351 2.505 ( 6.297 -5.487 -8.362) 11.819 2.884 ( 1.145 3.840 7.727) 8.704 3.203 ( -3.003 2.841 7.274) 8.366 3.536 ( -4.568 0.709 14.712) 15.421 3.582 ( -6.440 -3.186 -4.901) 8.697 4.117 ( 1.866 1.997 -0.142) 2.737 4.202 ( 1.638 -2.125 1.805) 3.234 4.493 ( 1.650 0.236 -7.806) 7.982 5.501 ( -0.490 -0.151 3.476) 3.514 5.679 ( 0.018 -9.257 8.687) 12.695 5.822 ( 0.196 1.963 4.467) 4.883 5.984 ( 2.312 3.432 -8.089) 9.086 6.053 ( 0.424 -2.484 -2.909) 3.849 7.010 ( 3.410 -1.909 -0.639) 3.959 7.860 ( -6.758 -1.135 -0.514) 6.872 8.092 ( 8.054 1.036 -13.796) 16.009 8.506 ( -3.003 2.870 11.736) 12.449 8.955 ( 1.335 2.578 -8.234) 8.731 9.561 ( -2.105 15.019 -0.404) 15.171 9.771 ( 2.587 2.567 -6.433) 7.394 9.853 ( 3.287 6.071 -1.465) 7.057 10.299 ( -2.850 -9.686 3.909) 10.827 10.557 ( 1.915 -16.204 1.509) 16.386 11.295 ( -0.627 0.463 5.847) 5.899 12.485 ( 6.688 -5.148 -9.425) 12.651 12.572 ( 0.550 1.090 1.108) 1.648 12.791 ( -0.567 1.066 0.887) 1.498 13.268 ( -2.428 4.473 -2.248) 5.564 13.359 ( -2.624 1.613 -3.333) 4.538 14.271 ( -3.569 -0.884 14.392) 14.854 15.089 ( 0.807 -0.744 -0.877) 1.405 15.248 ( -2.312 -0.535 -2.891) 3.740 15.648 ( 1.130 2.912 -6.445) 7.162 16.569 ( 7.449 1.760 10.668) 13.130 17.466 ( -8.681 5.212 -20.542) 22.902 20.835 ( 0.491 2.876 21.710) 21.905 21.079 ( 1.789 6.013 8.838) 10.838 21.288 ( 1.634 -4.976 4.572) 6.952 22.741 ( -7.156 6.469 -6.662) 11.724 23.137 ( 0.607 -2.811 0.022) 2.876 23.191 ( 0.940 0.873 2.100) 2.461 23.566 ( 0.127 -0.659 -0.454) 0.810 23.683 ( 3.459 -6.380 -1.169) 7.351 ======================= Grid point 173 (79/196) ======================= q-point: (-0.20 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -10.335 -11.241 -3.380) 15.640 1.157 ( -12.611 -10.284 3.370) 16.618 1.526 ( -11.016 -11.216 3.834) 16.182 2.047 ( -0.076 4.531 6.994) 8.334 2.328 ( 5.131 4.482 -0.773) 6.857 2.594 ( 2.003 -1.660 -8.570) 8.957 2.822 ( 1.381 3.917 -1.312) 4.356 3.122 ( -3.687 4.152 6.527) 8.569 3.524 ( -3.924 2.195 15.406) 16.048 3.600 ( -3.379 -4.303 -2.854) 6.171 4.122 ( 1.217 -1.615 1.693) 2.637 4.255 ( 0.562 -2.085 3.356) 3.991 4.481 ( 1.249 0.092 -7.601) 7.703 5.518 ( 0.988 -0.879 2.194) 2.562 5.773 ( -0.362 3.925 2.791) 4.830 5.888 ( 2.250 5.261 -6.371) 8.563 5.938 ( -0.115 -14.551 5.556) 15.576 6.099 ( 0.937 -3.090 -4.957) 5.916 7.084 ( 2.971 -3.529 0.257) 4.621 7.833 ( -7.419 -2.665 0.517) 7.900 8.044 ( 4.642 7.277 -14.045) 16.485 8.481 ( -0.408 1.112 12.553) 12.609 8.889 ( 2.001 3.969 -6.936) 8.238 9.293 ( -1.393 13.762 3.304) 14.222 9.696 ( 1.703 6.383 -1.458) 6.766 9.761 ( 2.314 4.708 -6.230) 8.144 10.510 ( -1.120 -13.314 2.820) 13.656 10.853 ( 1.517 -15.082 -0.513) 15.167 11.294 ( -0.782 0.848 6.913) 7.008 12.548 ( -0.211 1.540 0.171) 1.564 12.642 ( 8.036 -7.196 -8.182) 13.539 12.754 ( -1.265 2.122 -1.070) 2.692 13.141 ( -2.589 5.812 -0.550) 6.386 13.307 ( -1.959 1.437 -1.449) 2.829 14.293 ( -4.442 -1.076 13.557) 14.306 15.112 ( 0.921 -1.162 -0.903) 1.736 15.218 ( -2.380 1.230 -3.179) 4.157 15.575 ( 0.899 3.799 -6.708) 7.762 16.614 ( 6.290 2.861 9.038) 11.377 17.229 ( -12.440 4.110 -15.782) 20.511 20.823 ( -0.698 3.098 14.535) 14.878 21.014 ( 0.181 5.164 11.758) 12.844 21.393 ( 1.805 -4.686 0.100) 5.023 22.524 ( -4.926 9.161 -8.164) 13.222 23.145 ( 0.289 4.893 0.732) 4.956 23.234 ( 0.907 -5.348 1.021) 5.519 23.568 ( 2.511 1.884 2.496) 4.011 23.864 ( 3.773 -9.792 -0.775) 10.523 ======================= Grid point 174 (80/196) ======================= q-point: (-0.10 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -7.300 -10.495 -6.662) 14.416 1.285 ( -9.105 -12.567 -3.021) 15.811 1.670 ( -6.979 -10.352 8.465) 15.083 1.997 ( 0.626 2.811 7.208) 7.762 2.259 ( -0.872 6.352 5.321) 8.332 2.547 ( -1.999 2.452 -6.956) 7.642 2.791 ( 3.790 1.503 -10.054) 10.849 3.051 ( -0.722 3.407 5.409) 6.433 3.479 ( -4.115 2.601 10.952) 11.985 3.633 ( -2.761 -2.110 1.844) 3.934 4.184 ( 0.542 -1.651 2.938) 3.413 4.336 ( -0.604 -7.998 4.893) 9.396 4.475 ( 1.056 -0.595 -6.828) 6.935 5.558 ( 2.140 -1.361 0.577) 2.601 5.656 ( 0.184 9.749 -2.281) 10.014 5.778 ( 0.117 5.072 0.225) 5.079 6.135 ( 1.949 -2.578 -9.334) 9.878 6.276 ( 0.610 -19.520 2.742) 19.721 7.176 ( 2.390 -3.747 0.697) 4.499 7.835 ( -3.295 3.470 -3.046) 5.673 7.847 ( -2.504 6.081 -3.429) 7.417 8.516 ( 1.285 -0.413 9.385) 9.481 8.821 ( 2.665 3.942 -4.763) 6.732 9.079 ( -1.055 10.398 4.984) 11.579 9.601 ( 1.378 5.098 -1.075) 5.389 9.687 ( 1.054 3.162 -7.788) 8.471 10.726 ( -0.226 -10.376 2.820) 10.755 11.099 ( 0.804 -11.846 -1.461) 11.963 11.289 ( -1.199 1.048 8.106) 8.261 12.511 ( -0.420 2.477 0.933) 2.680 12.682 ( -1.765 2.843 -1.026) 3.500 12.812 ( 6.324 -5.736 -9.620) 12.863 13.055 ( -0.790 1.817 0.661) 2.089 13.271 ( -0.676 1.035 -0.142) 1.244 14.303 ( -4.765 -0.525 12.182) 13.091 15.120 ( -0.207 2.218 -2.112) 3.070 15.163 ( -0.749 0.351 -2.036) 2.197 15.511 ( 0.471 2.088 -5.974) 6.346 16.587 ( -1.487 4.881 2.551) 5.705 17.114 ( -3.969 -3.141 -5.663) 7.595 20.808 ( -0.780 0.982 7.323) 7.429 20.972 ( -1.233 2.218 10.484) 10.787 21.479 ( 1.604 -3.511 -1.897) 4.301 22.325 ( -1.681 7.141 -9.206) 11.772 23.045 ( -0.226 5.841 -1.376) 6.005 23.310 ( -2.072 -3.405 1.163) 4.152 23.561 ( 3.670 2.878 5.194) 6.981 24.043 ( 3.647 -6.428 -0.208) 7.393 ======================= Grid point 182 (81/196) ======================= q-point: (-0.30 -0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -14.597 0.000 0.022) 14.597 0.961 ( -16.856 0.000 5.095) 17.609 1.293 ( -17.593 0.000 2.435) 17.760 2.162 ( -1.241 0.000 4.111) 4.294 2.415 ( 6.555 -0.000 -6.251) 9.058 2.487 ( 7.328 -0.000 -6.784) 9.986 2.963 ( 1.985 -0.000 8.984) 9.201 3.233 ( -3.505 0.000 8.853) 9.521 3.447 ( -7.894 0.000 -8.037) 11.266 3.559 ( -4.454 0.000 17.119) 17.689 4.177 ( 3.170 -0.000 -1.443) 3.483 4.178 ( 0.557 -0.000 1.625) 1.718 4.486 ( 1.288 -0.000 -8.391) 8.490 5.510 ( 0.445 -0.000 4.519) 4.540 5.618 ( -0.208 0.000 8.802) 8.805 5.855 ( -0.006 0.000 4.322) 4.322 6.005 ( 1.693 -0.000 -9.356) 9.508 6.031 ( 1.109 -0.000 -1.575) 1.926 7.023 ( 4.362 -0.000 -1.677) 4.673 7.790 ( -7.520 0.000 -0.154) 7.521 8.126 ( 7.302 -0.000 -15.079) 16.754 8.540 ( -2.370 0.000 11.843) 12.077 8.964 ( 0.702 -0.000 -7.727) 7.758 9.736 ( -0.318 0.000 -10.926) 10.931 9.832 ( 3.064 -0.000 2.595) 4.015 9.843 ( 1.273 -0.000 -3.616) 3.834 10.315 ( -0.055 0.000 5.389) 5.389 10.316 ( 0.176 -0.000 2.418) 2.424 11.311 ( -0.194 0.000 5.738) 5.742 12.464 ( 6.048 -0.000 -10.270) 11.919 12.598 ( 2.293 -0.000 1.829) 2.933 12.798 ( -0.627 0.000 0.639) 0.896 13.288 ( -1.808 0.000 -1.736) 2.507 13.335 ( -3.659 0.000 -4.575) 5.858 14.268 ( -4.607 0.000 15.104) 15.791 15.088 ( 0.784 -0.000 -0.481) 0.920 15.217 ( -2.021 0.000 -2.735) 3.401 15.660 ( 0.401 -0.000 -8.406) 8.416 16.672 ( 6.969 -0.000 10.266) 12.407 17.382 ( -9.756 0.000 -28.875) 30.478 20.950 ( 4.480 -0.000 17.481) 18.046 21.187 ( 3.647 -0.000 -0.461) 3.676 21.308 ( 3.868 -0.000 34.807) 35.022 22.707 ( -8.636 0.000 -6.138) 10.595 23.126 ( -0.734 0.000 -1.016) 1.253 23.199 ( 2.191 -0.000 2.229) 3.126 23.499 ( -3.637 0.000 -3.843) 5.291 23.693 ( 5.853 -0.000 0.230) 5.857 ======================= Grid point 183 (82/196) ======================= q-point: (-0.20 -0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -13.348 -11.019 -1.525) 17.375 0.898 ( -16.475 -6.601 6.038) 18.747 1.230 ( -17.174 -9.504 4.469) 20.131 2.125 ( -1.807 3.207 5.281) 6.437 2.418 ( 4.114 2.486 -7.476) 8.888 2.562 ( 6.011 -2.624 -7.738) 10.144 2.928 ( 0.150 6.671 3.510) 7.539 3.174 ( -4.573 3.299 7.938) 9.737 3.448 ( -6.039 -6.417 -4.830) 10.049 3.564 ( -3.889 0.528 18.051) 18.472 4.145 ( 1.496 2.098 0.305) 2.595 4.236 ( 1.384 -2.079 1.225) 2.781 4.472 ( 0.990 0.124 -8.377) 8.437 5.530 ( 1.731 -0.040 4.110) 4.460 5.718 ( -0.327 -8.982 6.796) 11.267 5.839 ( -0.845 2.440 3.393) 4.264 5.977 ( 2.239 2.834 -9.547) 10.207 6.049 ( 0.754 -1.823 -1.474) 2.463 7.066 ( 3.882 -1.442 -1.333) 4.350 7.735 ( -8.057 -1.152 0.569) 8.159 8.123 ( 5.110 2.187 -16.910) 17.800 8.539 ( -0.905 1.722 13.442) 13.582 8.936 ( 1.257 1.694 -6.802) 7.122 9.539 ( -0.279 13.483 -1.209) 13.540 9.781 ( 2.442 3.050 -6.058) 7.209 9.895 ( 2.524 7.049 -1.610) 7.659 10.283 ( -1.343 -9.953 4.143) 10.864 10.590 ( 1.280 -15.835 1.065) 15.923 11.320 ( -0.271 0.574 6.282) 6.314 12.518 ( 2.901 -3.196 -7.755) 8.876 12.631 ( 6.050 -0.758 -1.055) 6.188 12.777 ( -1.378 1.699 -0.470) 2.237 13.213 ( -2.677 4.910 -1.805) 5.876 13.300 ( -2.344 0.158 -2.108) 3.157 14.272 ( -5.532 -0.722 14.626) 15.654 15.100 ( 0.835 -0.781 -0.282) 1.178 15.201 ( -1.368 -0.398 -2.729) 3.079 15.611 ( -0.807 2.477 -10.348) 10.670 16.731 ( 5.144 2.366 8.130) 9.908 17.150 ( -14.275 4.780 -25.691) 29.777 20.962 ( 3.545 5.858 10.394) 12.446 21.199 ( 3.522 6.730 18.365) 19.874 21.368 ( 1.571 3.467 21.168) 21.507 22.585 ( -7.129 4.907 -5.918) 10.485 23.154 ( 1.040 -3.479 0.884) 3.738 23.230 ( 2.562 1.305 1.697) 3.339 23.546 ( -0.148 -7.419 -3.183) 8.075 23.762 ( 5.390 -3.804 0.828) 6.649 ======================= Grid point 184 (83/196) ======================= q-point: (-0.10 -0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -10.006 -12.828 -4.717) 16.939 0.962 ( -11.796 -13.273 1.158) 17.795 1.373 ( -10.845 -16.563 9.302) 21.874 2.067 ( -2.027 3.066 6.442) 7.417 2.356 ( -0.330 4.896 -3.568) 6.067 2.575 ( 1.453 3.020 -6.326) 7.159 2.828 ( 2.187 3.098 -7.656) 8.543 3.113 ( -2.103 2.947 7.157) 8.021 3.470 ( -6.532 -2.324 -0.531) 6.953 3.584 ( -3.552 -1.142 15.330) 15.777 4.153 ( 1.270 -1.927 2.101) 3.121 4.275 ( -0.319 -1.305 3.178) 3.450 4.459 ( 1.050 -0.209 -7.825) 7.898 5.563 ( 2.797 -0.615 2.505) 3.805 5.772 ( -1.107 4.624 1.517) 4.991 5.887 ( 1.741 5.821 -6.690) 9.037 5.958 ( -0.392 -15.235 3.818) 15.711 6.092 ( 1.159 -2.895 -4.238) 5.262 7.135 ( 2.785 -3.245 0.411) 4.296 7.711 ( -7.867 -3.531 1.903) 8.831 8.023 ( 2.302 8.095 -14.988) 17.190 8.554 ( 0.898 0.511 12.632) 12.674 8.895 ( 2.573 2.932 -5.392) 6.654 9.306 ( 0.723 13.618 3.575) 14.098 9.710 ( 1.403 5.451 -2.948) 6.354 9.749 ( -0.302 6.548 -5.090) 8.299 10.528 ( 1.596 -13.468 2.693) 13.827 10.866 ( 0.393 -14.389 -0.718) 14.412 11.320 ( -0.770 1.004 7.210) 7.320 12.538 ( -0.378 0.584 -0.929) 1.160 12.713 ( -2.506 2.926 -1.405) 4.101 12.741 ( 8.172 -5.399 -8.795) 13.164 13.105 ( -1.902 4.464 0.751) 4.910 13.279 ( -0.589 0.366 -0.352) 0.778 14.278 ( -5.792 -1.085 13.272) 14.521 15.124 ( 0.939 -1.116 -0.601) 1.577 15.176 ( -0.740 1.936 -2.687) 3.393 15.524 ( -1.954 2.136 -10.222) 10.624 16.661 ( -5.837 6.341 -2.013) 8.850 17.001 ( -4.714 -3.777 -4.937) 7.801 20.893 ( 0.898 6.274 11.128) 12.806 21.082 ( -2.731 9.204 21.384) 23.440 21.419 ( 1.207 -3.855 -0.030) 4.040 22.411 ( -3.755 6.977 -5.893) 9.874 23.145 ( -0.184 5.240 -0.734) 5.295 23.249 ( -0.132 -2.127 1.497) 2.605 23.636 ( 5.106 -0.062 0.360) 5.119 23.945 ( 5.542 -8.859 1.483) 10.554 ======================= Grid point 193 (84/196) ======================= q-point: (-0.20 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -15.932 0.000 0.742) 15.949 0.713 ( -17.460 0.000 9.787) 20.016 0.978 ( -22.643 0.000 6.802) 23.643 2.150 ( -2.281 0.000 4.210) 4.788 2.443 ( 2.807 -0.000 -11.985) 12.309 2.579 ( 7.969 -0.000 -6.085) 10.027 3.030 ( 1.311 -0.000 5.078) 5.244 3.188 ( -7.546 0.000 8.752) 11.556 3.292 ( -6.454 0.000 -6.639) 9.259 3.581 ( -4.428 0.000 18.457) 18.981 4.197 ( 0.610 -0.000 1.762) 1.865 4.213 ( 2.380 -0.000 -1.924) 3.061 4.458 ( 0.870 -0.000 -8.681) 8.725 5.562 ( 2.657 -0.000 4.832) 5.514 5.649 ( -1.026 0.000 6.701) 6.779 5.864 ( -1.529 0.000 3.587) 3.899 5.980 ( 1.460 -0.000 -10.078) 10.183 6.050 ( 1.976 -0.000 -0.745) 2.112 7.085 ( 4.385 -0.000 -3.248) 5.457 7.664 ( -7.972 0.000 1.512) 8.115 8.132 ( 4.040 -0.000 -18.175) 18.619 8.585 ( -0.412 0.000 13.660) 13.666 8.937 ( 0.570 -0.000 -6.613) 6.637 9.666 ( -1.115 0.000 -10.626) 10.684 9.848 ( 1.275 -0.000 -2.859) 3.130 9.916 ( 4.846 -0.000 2.883) 5.639 10.313 ( -1.715 0.000 1.373) 2.197 10.349 ( 1.018 -0.000 4.619) 4.730 11.341 ( -0.178 0.000 6.241) 6.243 12.494 ( 3.490 -0.000 -7.601) 8.364 12.670 ( 5.751 -0.000 -1.433) 5.927 12.781 ( -1.411 0.000 -1.778) 2.270 13.253 ( -1.425 0.000 -1.395) 1.994 13.258 ( -2.999 0.000 -2.554) 3.940 14.254 ( -6.607 0.000 14.647) 16.068 15.099 ( 0.710 -0.000 0.221) 0.744 15.177 ( -1.005 0.000 -2.365) 2.569 15.585 ( -3.349 0.000 -14.935) 15.305 16.817 ( 4.544 -0.000 7.478) 8.750 16.985 ( -17.901 0.000 -34.708) 39.052 21.074 ( 4.414 -0.000 2.095) 4.886 21.241 ( 3.001 -0.000 -0.725) 3.088 21.800 ( 24.512 -0.000 74.120) 78.068 22.546 ( -6.824 0.000 -4.832) 8.361 23.118 ( 0.071 -0.000 -0.503) 0.508 23.236 ( 1.096 -0.000 -0.484) 1.198 23.406 ( -4.835 0.000 -4.488) 6.597 23.784 ( 4.957 -0.000 0.053) 4.957 ======================= Grid point 194 (85/196) ======================= q-point: (-0.10 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -11.382 -13.296 0.427) 17.508 0.659 ( -16.185 -8.159 7.291) 19.537 0.988 ( -16.172 -16.784 11.882) 26.162 2.112 ( -2.380 3.087 4.383) 5.865 2.405 ( 0.943 2.597 -12.075) 12.387 2.629 ( 6.675 0.809 -6.550) 9.386 2.916 ( -2.442 8.348 -1.275) 8.790 3.151 ( -3.448 1.260 8.264) 9.042 3.311 ( -8.004 -7.007 -3.053) 11.067 3.593 ( -4.561 -0.106 18.814) 19.359 4.170 ( 1.179 1.864 0.676) 2.307 4.259 ( 0.715 -1.701 0.772) 2.000 4.444 ( 1.091 -0.081 -8.289) 8.361 5.594 ( 2.894 0.265 3.973) 4.923 5.737 ( -1.025 -9.077 5.016) 10.422 5.830 ( -1.944 2.779 2.646) 4.302 5.956 ( 1.644 1.728 -10.377) 10.648 6.066 ( 1.765 -0.256 -0.100) 1.786 7.117 ( 2.846 -1.250 -1.217) 3.338 7.608 ( -8.002 -1.098 2.485) 8.450 8.091 ( 2.632 2.711 -18.267) 18.654 8.611 ( 0.596 0.996 14.281) 14.328 8.927 ( 1.678 0.316 -6.069) 6.305 9.539 ( 1.451 9.329 -1.714) 9.595 9.788 ( 1.799 4.247 -4.110) 6.178 9.904 ( -1.126 11.046 -1.266) 11.175 10.309 ( 2.316 -12.433 3.432) 13.104 10.608 ( 0.245 -14.953 0.310) 14.958 11.347 ( -0.678 0.738 6.623) 6.698 12.521 ( 1.629 -1.621 -4.250) 4.831 12.722 ( 4.408 -0.449 -6.570) 7.925 12.737 ( -0.668 1.221 -1.550) 2.083 13.172 ( -1.574 4.352 -0.114) 4.629 13.267 ( -0.720 -1.042 -0.553) 1.382 14.242 ( -6.974 -0.925 13.607) 15.318 15.112 ( 0.480 -0.707 0.095) 0.860 15.183 ( 1.070 -0.838 -1.920) 2.352 15.483 ( -6.965 0.784 -16.983) 18.373 16.672 ( -14.962 5.466 -14.290) 21.399 16.901 ( -0.789 -3.203 0.799) 3.395 21.047 ( 3.257 5.714 1.606) 6.770 21.306 ( 2.859 -2.367 1.644) 4.059 21.618 ( 1.403 39.480 55.404) 68.046 22.465 ( -4.170 3.926 -2.948) 6.441 23.172 ( 0.347 -1.082 0.797) 1.388 23.282 ( 1.750 3.006 1.179) 3.673 23.581 ( 8.658 -15.205 -3.347) 17.814 23.860 ( 5.617 -5.469 2.215) 8.146 ======================= Grid point 204 (86/196) ======================= q-point: (-0.10 -0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( -7.861 0.000 13.163) 15.332 0.509 ( -14.691 0.000 16.462) 22.065 0.652 ( -22.253 0.000 14.947) 26.807 2.163 ( 2.479 -0.000 2.102) 3.251 2.401 ( 1.576 -0.000 -15.926) 16.003 2.677 ( 7.654 -0.000 -6.725) 10.188 3.034 ( -2.013 0.000 -2.957) 3.577 3.082 ( -9.988 0.000 6.728) 12.043 3.171 ( -5.437 0.000 3.144) 6.281 3.599 ( -5.324 0.000 18.932) 19.666 4.211 ( -0.048 0.000 1.186) 1.187 4.240 ( 2.082 -0.000 -1.288) 2.448 4.432 ( 1.526 -0.000 -8.177) 8.319 5.632 ( 2.184 -0.000 4.170) 4.708 5.657 ( -1.639 0.000 5.447) 5.688 5.847 ( -2.266 0.000 3.610) 4.263 5.948 ( 1.692 -0.000 -12.070) 12.188 6.100 ( 4.188 -0.000 1.408) 4.418 7.122 ( 1.419 -0.000 -1.822) 2.309 7.551 ( -6.732 0.000 3.998) 7.829 8.083 ( 2.261 -0.000 -18.882) 19.017 8.663 ( 0.672 -0.000 14.438) 14.454 8.913 ( 0.689 -0.000 -6.454) 6.490 9.610 ( 1.157 -0.000 -4.743) 4.882 9.857 ( 1.196 -0.000 -0.776) 1.426 9.994 ( 2.387 -0.000 0.531) 2.445 10.288 ( -1.513 0.000 2.180) 2.654 10.383 ( -0.023 0.000 1.535) 1.535 11.365 ( -1.028 0.000 6.344) 6.426 12.509 ( 2.401 -0.000 -4.653) 5.236 12.720 ( -3.929 0.000 -4.643) 6.082 12.750 ( 5.449 -0.000 -5.136) 7.488 13.223 ( -0.666 0.000 0.505) 0.836 13.228 ( -0.692 0.000 -0.992) 1.209 14.205 ( -7.882 0.000 12.948) 15.159 15.114 ( 0.694 -0.000 1.302) 1.475 15.161 ( 0.272 -0.000 -1.476) 1.501 15.345 ( -13.552 0.000 -17.510) 22.142 16.532 ( -15.532 0.000 -11.611) 19.393 16.887 ( 0.146 -0.000 3.298) 3.302 21.136 ( 2.809 -0.000 -0.166) 2.813 21.273 ( 1.486 -0.000 -1.420) 2.055 22.451 ( -2.081 0.000 -1.794) 2.748 22.896 ( 51.869 -0.000 52.758) 73.986 23.120 ( 0.240 -0.000 -0.066) 0.249 23.170 ( -3.615 0.000 -3.521) 5.046 23.333 ( -1.398 0.000 0.094) 1.401 23.851 ( 2.883 -0.000 -0.056) 2.883 ======================= Grid point 205 (87/196) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 1.052 -0.000 17.848) 17.879 0.886 ( -4.916 0.000 20.677) 21.254 1.028 ( 0.379 -0.000 25.797) 25.800 1.961 ( 2.955 -0.000 -17.982) 18.224 2.003 ( -0.911 0.000 -9.827) 9.869 2.452 ( 2.404 -0.000 -16.608) 16.781 3.042 ( -10.429 0.000 3.323) 10.945 3.120 ( 10.763 -0.000 -0.333) 10.769 3.299 ( -5.979 0.000 10.468) 12.056 3.977 ( -4.169 0.000 8.748) 9.691 4.226 ( -2.732 0.000 5.680) 6.303 4.246 ( 1.698 -0.000 -0.794) 1.875 4.281 ( 1.106 -0.000 -2.636) 2.859 5.593 ( 6.406 -0.000 -17.659) 18.785 5.730 ( -3.862 0.000 4.928) 6.261 5.835 ( -1.460 0.000 7.883) 8.017 5.966 ( 0.008 -0.000 5.668) 5.668 6.101 ( 1.483 -0.000 -3.929) 4.200 7.085 ( -5.029 0.000 -0.788) 5.091 7.641 ( 4.486 -0.000 -17.499) 18.065 7.750 ( -0.100 0.000 12.052) 12.052 8.667 ( 3.765 -0.000 -13.107) 13.638 9.050 ( -1.989 0.000 12.996) 13.147 9.620 ( 9.151 -0.000 -5.879) 10.877 9.882 ( 1.204 -0.000 -0.158) 1.214 9.922 ( -4.502 0.000 -2.040) 4.942 10.374 ( -3.985 0.000 2.656) 4.789 10.384 ( 1.291 -0.000 3.045) 3.307 11.559 ( -3.174 0.000 10.759) 11.218 12.375 ( 5.610 -0.000 -11.326) 12.639 12.649 ( 1.074 -0.000 -0.382) 1.140 12.674 ( -1.041 0.000 -2.306) 2.531 13.210 ( 1.269 -0.000 -0.458) 1.349 13.218 ( -1.128 0.000 -0.026) 1.129 14.403 ( -10.372 0.000 13.551) 17.065 15.069 ( -0.037 0.000 -3.694) 3.695 15.160 ( 2.310 -0.000 -0.305) 2.330 15.235 ( 9.758 -0.000 -4.224) 10.633 16.578 ( 10.366 -0.000 3.579) 10.967 16.819 ( -8.452 0.000 -2.305) 8.761 21.177 ( 1.851 -0.000 0.453) 1.906 21.226 ( -0.480 0.000 -2.177) 2.230 22.510 ( 7.357 -0.000 2.158) 7.667 22.540 ( -27.167 0.000 -0.966) 27.185 23.130 ( 0.940 -0.000 0.357) 1.005 23.268 ( -3.222 0.000 -2.456) 4.051 23.759 ( 4.939 -0.000 2.352) 5.470 23.862 ( -0.815 0.000 -0.730) 1.094 ======================= Grid point 206 (88/196) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 2.113 3.645 19.729) 20.174 0.989 ( 2.981 -9.295 15.753) 18.532 1.292 ( 0.499 -14.898 20.294) 25.180 1.932 ( 3.264 1.548 -14.931) 15.362 1.985 ( 0.411 -1.402 -8.962) 9.081 2.379 ( -0.937 3.860 -17.908) 18.343 2.894 ( -4.721 6.738 4.057) 9.173 3.184 ( 1.149 2.647 0.586) 2.945 3.360 ( 2.265 -6.721 7.369) 10.227 3.957 ( -4.038 1.098 8.932) 9.864 4.236 ( -4.654 -2.667 9.039) 10.511 4.251 ( 2.897 0.288 -3.688) 4.699 4.301 ( 0.550 -1.421 -2.409) 2.850 5.584 ( 5.389 1.893 -14.218) 15.323 5.704 ( -2.751 0.320 1.556) 3.177 5.896 ( -1.921 -4.952 7.179) 8.930 5.980 ( -0.287 -0.695 6.072) 6.119 6.069 ( 0.884 3.027 -4.091) 5.165 7.051 ( -5.043 -1.366 -1.448) 5.422 7.624 ( 4.863 1.395 -15.901) 16.687 7.803 ( 0.887 -2.248 11.736) 11.983 8.676 ( 3.207 -1.021 -12.904) 13.336 9.042 ( -3.426 2.070 11.696) 12.362 9.635 ( 7.586 4.457 -5.399) 10.323 9.737 ( -4.143 13.259 0.379) 13.896 9.814 ( 0.439 6.445 -1.840) 6.717 10.457 ( -2.524 -10.925 3.150) 11.647 10.559 ( 0.335 -13.838 0.636) 13.857 11.559 ( -3.810 -0.010 11.007) 11.648 12.414 ( 4.999 -2.706 -11.502) 12.830 12.643 ( 0.836 1.157 -0.822) 1.648 12.673 ( -0.667 -0.957 -2.014) 2.327 13.175 ( 0.573 2.872 0.837) 3.046 13.240 ( 0.915 -0.750 -0.809) 1.433 14.368 ( -9.122 -1.256 12.982) 15.916 15.059 ( 0.413 0.320 -3.435) 3.475 15.167 ( 2.928 1.352 -0.442) 3.256 15.322 ( 9.505 -1.321 -6.488) 11.583 16.672 ( 7.870 2.071 2.080) 8.399 16.762 ( -2.826 -2.548 -3.128) 4.926 21.126 ( -0.233 3.967 1.387) 4.209 21.280 ( 0.331 -4.263 -2.672) 5.042 22.054 ( -24.671 24.151 14.084) 37.287 22.557 ( 8.746 3.528 2.200) 9.684 23.122 ( 0.073 1.961 -0.719) 2.089 23.183 ( -2.838 4.047 -2.452) 5.518 23.832 ( 1.768 -2.163 1.119) 3.010 23.889 ( -5.707 -5.744 -1.173) 8.182 ======================= Grid point 207 (89/196) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 7.671 -4.010 13.119) 15.717 1.255 ( 0.704 -13.972 10.784) 17.664 1.600 ( 1.460 -13.154 14.198) 19.410 1.872 ( 1.400 3.753 -11.272) 11.962 2.022 ( 0.981 -3.530 -2.309) 4.331 2.235 ( -2.884 3.343 -19.638) 20.129 2.778 ( -0.832 4.683 2.448) 5.349 3.115 ( -0.699 4.882 2.917) 5.729 3.525 ( 5.242 -5.681 3.972) 8.690 3.918 ( -4.079 2.398 10.366) 11.395 4.259 ( 3.113 0.378 -7.420) 8.056 4.300 ( -5.429 -6.372 10.075) 13.100 4.324 ( -0.471 -1.847 1.171) 2.237 5.548 ( 3.233 2.402 -9.344) 10.175 5.674 ( 0.840 2.343 -4.698) 5.317 5.926 ( -2.233 0.783 6.620) 7.030 5.997 ( 2.504 4.626 -4.261) 6.770 6.101 ( -2.052 -11.149 4.399) 12.160 7.048 ( -3.978 -3.046 -1.875) 5.350 7.587 ( 4.977 3.102 -13.554) 14.768 7.902 ( 0.508 -4.602 11.445) 12.346 8.680 ( 2.160 -0.429 -10.798) 11.020 8.976 ( -5.831 4.422 9.700) 12.151 9.466 ( -1.500 14.153 4.504) 14.928 9.573 ( 4.118 6.847 -3.542) 8.740 9.698 ( 0.803 5.440 -6.316) 8.374 10.646 ( -3.219 -11.561 3.027) 12.377 10.830 ( 1.702 -14.876 -0.966) 15.004 11.551 ( -4.840 0.214 11.802) 12.758 12.483 ( 4.228 -3.482 -10.079) 11.471 12.626 ( 1.094 0.824 -2.995) 3.294 12.675 ( -0.152 -0.058 -1.902) 1.909 13.129 ( 0.125 2.955 2.149) 3.656 13.254 ( 1.405 0.036 -0.508) 1.494 14.366 ( -7.201 -2.421 12.178) 14.353 15.046 ( 1.403 0.846 -3.685) 4.033 15.162 ( 2.833 1.723 -0.430) 3.344 15.385 ( 6.437 -0.207 -6.994) 9.507 16.608 ( -7.417 2.026 -1.291) 7.796 16.874 ( 12.991 -2.475 -1.277) 13.287 21.061 ( -1.666 3.244 3.281) 4.906 21.347 ( 0.638 -3.633 -4.028) 5.462 21.535 ( -16.574 18.714 20.619) 32.404 22.514 ( 8.503 10.324 -2.781) 13.661 23.037 ( -0.105 4.791 0.059) 4.792 23.152 ( -0.559 -1.459 -1.500) 2.166 23.815 ( -6.792 0.472 0.998) 6.881 23.974 ( -0.784 -5.619 -0.501) 5.696 ======================= Grid point 208 (90/196) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 7.682 -7.048 6.177) 12.118 1.504 ( -5.381 -12.485 3.725) 14.096 1.768 ( -1.067 2.450 -3.737) 4.594 1.819 ( 2.176 -3.238 3.833) 5.470 2.068 ( -0.759 -3.158 3.651) 4.886 2.215 ( 1.361 -6.963 -14.203) 15.877 2.719 ( 1.540 2.978 -0.703) 3.425 3.038 ( 1.671 4.768 4.153) 6.540 3.653 ( 4.152 -3.158 3.325) 6.186 3.860 ( -5.071 3.398 12.936) 14.304 4.245 ( 1.235 0.849 -7.775) 7.918 4.354 ( -0.454 -1.968 2.757) 3.418 4.439 ( -4.169 -10.345 8.434) 13.983 5.500 ( 3.549 4.300 -9.718) 11.204 5.601 ( 0.402 4.624 -3.692) 5.931 5.909 ( -2.157 0.681 5.724) 6.155 5.922 ( 4.007 4.985 -6.524) 9.136 6.318 ( -1.503 -13.576 -0.098) 13.660 7.084 ( -2.366 -4.604 -1.457) 5.378 7.523 ( 4.447 5.202 -9.774) 11.932 8.021 ( -1.007 -5.540 10.383) 11.811 8.676 ( 1.620 -0.229 -7.677) 7.850 8.850 ( -7.554 5.642 8.741) 12.856 9.247 ( 0.068 11.667 6.363) 13.289 9.471 ( 1.856 5.826 -3.454) 7.022 9.607 ( 2.115 4.294 -8.634) 9.872 10.818 ( -2.624 -9.597 3.389) 10.510 11.076 ( 1.596 -11.509 -1.869) 11.769 11.535 ( -5.496 0.327 12.959) 14.080 12.520 ( 1.336 0.591 -2.359) 2.774 12.641 ( 3.333 -2.855 -12.327) 13.085 12.657 ( 0.680 1.851 -1.155) 2.285 13.090 ( -1.223 1.634 3.413) 3.977 13.262 ( 1.625 0.389 0.407) 1.720 14.396 ( -5.311 -3.231 11.404) 12.989 15.034 ( 2.812 1.451 -3.402) 4.646 15.151 ( 1.884 1.560 -0.761) 2.561 15.401 ( 3.407 0.763 -6.467) 7.350 16.509 ( -9.329 0.546 -1.806) 9.518 17.020 ( 14.173 -1.471 -1.214) 14.301 21.001 ( -3.084 2.619 5.014) 6.443 21.234 ( -8.515 9.209 15.678) 20.078 21.401 ( 0.425 -2.860 -4.109) 5.024 22.323 ( 6.347 15.027 -10.485) 19.392 22.986 ( 0.164 2.225 3.515) 4.163 23.196 ( 1.825 -3.260 -1.557) 4.047 23.744 ( -8.405 0.590 3.147) 8.994 24.052 ( 0.659 -3.404 -0.821) 3.563 ======================= Grid point 209 (91/196) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 3.522 -4.920 -0.754) 6.097 1.536 ( -8.470 0.767 -7.296) 11.206 1.735 ( -0.366 -0.697 0.949) 1.233 1.916 ( -0.771 -7.855 6.060) 9.950 2.185 ( 2.744 -5.222 5.332) 7.951 2.321 ( 0.231 -5.852 -6.801) 8.975 2.679 ( 1.569 3.056 -3.281) 4.750 3.014 ( 4.645 2.049 5.040) 7.154 3.719 ( 0.989 -0.717 2.086) 2.418 3.789 ( -5.840 2.962 16.362) 17.624 4.218 ( 0.721 0.783 -6.511) 6.597 4.387 ( -0.356 -1.150 2.984) 3.218 4.632 ( -3.027 -12.194 5.953) 13.903 5.365 ( 3.238 10.888 -7.493) 13.608 5.547 ( 0.005 0.461 -4.118) 4.144 5.862 ( 4.791 3.805 -6.762) 9.119 5.894 ( -1.763 0.576 2.318) 2.969 6.528 ( 0.600 -10.885 -6.682) 12.787 7.163 ( -0.898 -6.109 -0.058) 6.175 7.425 ( 2.649 6.972 -4.694) 8.813 8.118 ( -2.736 -3.827 8.863) 10.034 8.668 ( 0.593 1.281 -4.326) 4.550 8.740 ( -5.228 1.680 8.913) 10.469 9.086 ( -0.417 8.160 6.229) 10.274 9.400 ( 1.796 2.450 -4.703) 5.599 9.534 ( 2.226 3.365 -9.206) 10.052 10.948 ( -1.891 -5.778 3.638) 7.084 11.239 ( 1.161 -5.976 -2.358) 6.529 11.522 ( -5.270 0.074 14.153) 15.102 12.498 ( -0.130 1.462 0.882) 1.713 12.611 ( 0.444 2.397 -4.646) 5.246 12.695 ( 4.908 -2.083 -12.589) 13.671 13.071 ( -2.523 0.040 4.004) 4.733 13.270 ( 1.661 0.507 1.307) 2.173 14.447 ( -4.107 -3.475 10.907) 12.161 15.024 ( 3.785 1.974 -2.679) 5.039 15.137 ( 0.670 0.753 -1.649) 1.933 15.389 ( 1.364 0.852 -5.848) 6.065 16.434 ( -9.515 -1.556 -1.943) 9.836 17.143 ( 12.920 0.172 -1.200) 12.977 20.945 ( -3.455 2.006 5.985) 7.196 21.124 ( -4.099 2.208 10.907) 11.860 21.436 ( 0.931 -1.768 -5.024) 5.406 22.087 ( 5.124 12.054 -14.442) 19.497 22.962 ( -0.841 1.473 4.045) 4.386 23.269 ( 2.528 -2.905 -2.716) 4.713 23.689 ( -6.522 -0.258 6.380) 9.128 24.100 ( 1.249 -1.600 -1.252) 2.385 ======================= Grid point 210 (92/196) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -0.908 3.858 -4.765) 6.198 1.396 ( -6.957 3.964 -7.580) 11.026 1.810 ( 2.231 -5.739 4.039) 7.364 2.067 ( -3.366 -7.596 7.461) 11.166 2.283 ( 3.305 -1.943 2.570) 4.616 2.368 ( -2.151 -1.675 -3.221) 4.220 2.609 ( 0.478 4.324 -5.836) 7.279 3.058 ( 4.127 -0.743 4.755) 6.340 3.674 ( -6.391 2.459 5.522) 8.796 3.791 ( -1.892 -0.794 14.089) 14.238 4.200 ( 1.495 0.388 -5.637) 5.844 4.399 ( -0.709 0.297 2.588) 2.700 4.792 ( -1.850 -3.220 5.752) 6.846 5.213 ( 2.233 3.271 -6.161) 7.324 5.547 ( 1.282 -0.949 -4.886) 5.140 5.834 ( 5.562 1.701 -10.883) 12.340 5.872 ( -2.996 0.434 4.035) 5.044 6.639 ( 3.158 -1.281 -10.326) 10.873 7.275 ( -0.243 -5.019 0.334) 5.036 7.320 ( 0.202 2.656 -1.306) 2.966 8.140 ( -3.701 1.132 8.236) 9.100 8.633 ( 0.434 1.033 0.888) 1.429 8.750 ( -1.830 -2.175 6.179) 6.801 9.002 ( -1.178 1.827 5.353) 5.777 9.393 ( 2.190 -1.215 -5.245) 5.812 9.480 ( 1.813 1.628 -9.369) 9.681 10.998 ( -1.335 -0.169 3.959) 4.181 11.288 ( 0.819 0.642 -2.656) 2.853 11.522 ( -4.356 -0.337 14.789) 15.421 12.485 ( -0.814 -0.211 1.688) 1.886 12.566 ( 0.814 1.562 -5.869) 6.128 12.718 ( 4.825 0.355 -12.235) 13.156 13.065 ( -3.040 -0.773 4.166) 5.215 13.278 ( 1.557 0.452 1.621) 2.292 14.502 ( -3.875 -3.069 10.921) 11.987 15.013 ( 3.053 1.656 -2.410) 4.228 15.129 ( 0.349 -0.008 -2.402) 2.427 15.369 ( 0.334 0.434 -5.690) 5.717 16.400 ( -8.433 -3.531 -2.004) 9.359 17.211 ( 9.565 2.504 -1.139) 9.953 20.913 ( -2.166 0.814 6.232) 6.647 21.119 ( -2.728 -1.507 9.021) 9.544 21.451 ( 1.227 -0.438 -5.140) 5.303 21.945 ( 4.698 3.633 -14.891) 16.032 22.945 ( -1.481 0.305 3.460) 3.776 23.309 ( 0.561 -1.078 -3.896) 4.082 23.682 ( -2.478 -0.859 8.024) 8.442 24.123 ( 1.530 -0.124 -1.321) 2.025 ======================= Grid point 211 (93/196) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -5.322 9.295 -2.607) 11.024 1.269 ( -1.302 5.530 -5.059) 7.607 1.936 ( -0.743 -3.807 6.979) 7.985 2.135 ( 1.612 0.207 2.436) 2.928 2.312 ( -5.988 0.370 6.792) 9.062 2.334 ( -0.685 1.823 -6.917) 7.186 2.543 ( 1.311 -0.363 -8.533) 8.641 3.111 ( 0.205 -1.763 3.431) 3.863 3.598 ( -6.527 1.659 5.739) 8.849 3.832 ( -2.922 -1.805 14.227) 14.636 4.200 ( 2.857 -0.012 -5.923) 6.576 4.380 ( -0.516 1.723 1.422) 2.293 4.701 ( -2.190 10.461 8.536) 13.678 5.301 ( 2.635 -9.725 -8.699) 13.311 5.573 ( 2.018 -1.644 -3.151) 4.087 5.836 ( 5.005 -0.977 -16.193) 16.977 5.861 ( -3.358 -0.437 9.286) 9.885 6.553 ( 2.431 10.476 -5.860) 12.247 7.246 ( 0.166 2.102 0.450) 2.156 7.426 ( 0.085 -8.650 -6.424) 10.775 8.061 ( -4.071 6.310 9.107) 11.804 8.656 ( 3.663 -1.238 -0.731) 3.934 8.797 ( -1.951 -2.814 8.270) 8.951 9.039 ( -1.211 -5.581 4.511) 7.278 9.435 ( 2.015 -2.196 -7.701) 8.258 9.476 ( 1.635 -3.132 -6.068) 7.021 10.952 ( -0.607 5.508 4.218) 6.964 11.219 ( 0.554 6.768 -2.673) 7.298 11.535 ( -3.478 -0.294 14.539) 14.952 12.498 ( -0.673 -1.229 0.764) 1.596 12.542 ( 1.354 0.225 -7.376) 7.503 12.705 ( 4.146 1.724 -9.612) 10.609 13.069 ( -2.879 -1.290 4.190) 5.245 13.287 ( 1.277 0.380 1.232) 1.815 14.542 ( -4.638 -1.992 11.607) 12.657 15.008 ( 1.276 -0.076 -3.516) 3.741 15.128 ( 0.713 0.048 -2.202) 2.315 15.348 ( -0.062 0.478 -6.070) 6.089 16.407 ( -6.255 -4.562 -1.953) 7.985 17.202 ( 4.560 4.823 -0.830) 6.689 20.915 ( -0.640 -0.577 6.349) 6.407 21.178 ( -2.930 -5.254 10.883) 12.435 21.446 ( 1.203 0.605 -4.433) 4.633 21.966 ( 4.771 -5.298 -12.789) 14.642 22.951 ( -1.674 -1.847 2.106) 3.263 23.301 ( -1.260 0.392 -2.955) 3.236 23.708 ( 1.088 -0.273 6.210) 6.310 24.123 ( 1.728 1.302 -0.967) 2.370 ======================= Grid point 212 (94/196) ======================= q-point: (-0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -7.450 8.277 1.451) 11.230 1.134 ( 2.223 9.842 1.919) 10.271 1.872 ( -4.380 11.336 10.933) 16.347 2.142 ( -2.672 0.449 0.092) 2.711 2.220 ( -6.994 3.402 -1.958) 8.020 2.290 ( 4.919 -0.680 -13.397) 14.288 2.617 ( 0.403 -7.114 -1.715) 7.329 3.146 ( -3.349 -3.197 1.410) 4.840 3.533 ( -5.364 2.239 6.518) 8.733 3.882 ( -3.530 -2.756 13.565) 14.285 4.209 ( 3.694 0.375 -7.038) 7.957 4.342 ( 0.500 2.694 0.502) 2.786 4.520 ( -4.083 9.098 10.956) 14.815 5.456 ( 4.045 -6.773 -12.919) 15.138 5.622 ( 1.655 -2.834 -0.855) 3.392 5.869 ( 1.102 -3.151 -5.897) 6.776 5.884 ( 0.104 -1.864 2.558) 3.167 6.327 ( 0.399 14.366 0.409) 14.377 7.214 ( -0.099 1.938 0.088) 1.942 7.545 ( 1.478 -6.626 -12.969) 14.639 7.924 ( -4.119 7.633 10.506) 13.623 8.708 ( 4.773 -0.920 -5.358) 7.235 8.861 ( -1.808 -3.324 11.285) 11.902 9.192 ( 0.435 -10.476 3.548) 11.069 9.472 ( 0.944 -3.994 -7.932) 8.931 9.574 ( 1.667 -6.591 -3.176) 7.503 10.825 ( 0.541 9.868 3.884) 10.619 11.055 ( 0.057 11.088 -2.225) 11.310 11.548 ( -3.028 0.066 13.626) 13.958 12.486 ( 3.631 2.991 -9.165) 10.302 12.556 ( -0.671 -2.669 -1.313) 3.049 12.692 ( 2.500 0.408 -5.032) 5.634 13.087 ( -2.267 -2.046 3.528) 4.666 13.290 ( 0.658 0.559 0.351) 0.932 14.551 ( -6.387 -0.553 12.664) 14.195 15.021 ( 0.261 -2.044 -5.627) 5.992 15.126 ( 0.781 0.384 -1.282) 1.549 15.314 ( 0.115 1.654 -6.142) 6.362 16.440 ( -3.377 -3.996 -1.409) 5.418 17.119 ( -0.791 5.828 -0.295) 5.889 20.956 ( 0.713 -2.167 5.283) 5.754 21.324 ( -1.579 -8.383 9.611) 12.850 21.447 ( -1.903 -4.153 4.002) 6.073 22.115 ( 4.932 -9.304 -8.908) 13.794 22.998 ( -1.614 -4.720 0.030) 4.988 23.267 ( -1.895 1.157 -1.734) 2.817 23.734 ( 3.534 1.068 3.353) 4.988 24.101 ( 2.005 2.851 -0.600) 3.536 ======================= Grid point 213 (95/196) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -8.041 3.262 10.783) 13.841 0.975 ( 3.096 12.038 9.886) 15.882 1.587 ( -6.820 17.979 14.059) 23.820 2.064 ( -3.683 2.005 -9.609) 10.484 2.108 ( -4.529 2.313 -5.213) 7.283 2.360 ( 6.387 -4.128 -14.373) 16.261 2.758 ( -0.456 -8.497 2.650) 8.912 3.177 ( -4.607 -3.651 -0.030) 5.878 3.454 ( -4.782 4.399 8.352) 10.582 3.938 ( -3.613 -2.953 11.640) 12.540 4.210 ( 3.724 0.684 -7.221) 8.154 4.297 ( 0.960 3.428 1.748) 3.966 4.385 ( -4.876 4.930 9.353) 11.643 5.535 ( 4.627 -2.937 -15.307) 16.258 5.689 ( 1.119 -3.056 0.056) 3.255 5.911 ( -2.058 -1.563 7.376) 7.816 5.941 ( 2.974 -2.475 -5.444) 6.679 6.099 ( -0.562 10.421 3.900) 11.141 7.175 ( -1.207 1.876 -0.002) 2.231 7.612 ( 2.736 -3.514 -16.344) 16.940 7.802 ( -3.326 5.449 11.372) 13.041 8.723 ( 3.699 0.918 -10.077) 10.773 8.939 ( -1.273 -3.109 13.241) 13.661 9.396 ( 4.538 -8.259 -1.293) 9.512 9.576 ( -0.943 -10.404 -2.643) 10.776 9.701 ( 0.609 -7.363 -2.205) 7.710 10.642 ( 1.709 12.719 3.231) 13.233 10.830 ( -0.949 13.226 -1.389) 13.333 11.554 ( -2.904 0.248 12.353) 12.692 12.427 ( 5.566 4.311 -11.577) 13.549 12.597 ( -0.556 -2.577 -0.323) 2.656 12.699 ( 1.234 -0.128 -2.725) 2.994 13.123 ( -1.385 -2.787 2.165) 3.791 13.278 ( -0.315 0.961 -0.551) 1.152 14.522 ( -8.713 0.580 13.338) 15.942 15.050 ( 0.493 -2.713 -7.488) 7.979 15.122 ( 0.502 0.392 -0.217) 0.673 15.261 ( 1.576 3.348 -4.452) 5.789 16.476 ( 0.003 -1.783 0.338) 1.815 17.000 ( -4.860 4.330 -0.138) 6.510 21.025 ( 1.458 -3.325 3.194) 4.836 21.346 ( 1.900 3.077 -3.731) 5.196 21.764 ( -8.448 -29.080 22.449) 37.695 22.297 ( 4.825 -8.002 -3.988) 10.160 23.086 ( -1.520 -6.419 -1.893) 6.862 23.228 ( -2.078 0.499 -1.572) 2.653 23.743 ( 5.989 2.989 1.322) 6.823 24.049 ( 1.971 4.837 -0.904) 5.301 ======================= Grid point 214 (96/196) ======================= q-point: (-0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -7.084 -6.136 20.108) 22.185 0.838 ( 3.191 9.265 17.170) 19.770 1.243 ( -6.736 18.342 18.908) 27.190 1.993 ( -0.355 0.210 -16.141) 16.146 2.041 ( -1.702 0.613 -8.206) 8.403 2.434 ( 4.535 -3.151 -15.167) 16.141 2.918 ( -0.143 -8.988 3.875) 9.789 3.178 ( -3.419 0.616 -0.935) 3.598 3.354 ( -5.122 4.245 10.536) 12.461 3.975 ( -3.904 -1.495 9.546) 10.422 4.220 ( 3.503 -0.387 -5.215) 6.294 4.252 ( -1.286 2.322 5.183) 5.823 4.310 ( -2.092 2.461 3.020) 4.422 5.574 ( 5.570 -1.659 -17.089) 18.051 5.731 ( -1.307 -1.206 2.770) 3.292 5.882 ( -1.045 5.546 6.544) 8.641 5.949 ( -0.413 -0.115 6.019) 6.035 6.064 ( 1.906 -2.744 -2.902) 4.425 7.131 ( -3.228 1.005 -0.304) 3.394 7.639 ( 3.791 -1.581 -17.191) 17.675 7.744 ( -1.710 2.273 11.750) 12.089 8.692 ( 3.229 1.921 -12.592) 13.140 9.010 ( -1.220 -1.901 13.538) 13.725 9.531 ( 7.505 -3.296 -4.692) 9.445 9.785 ( 0.614 -10.643 -0.309) 10.665 9.830 ( -2.907 -9.399 -1.314) 9.926 10.445 ( 1.524 10.917 3.571) 11.587 10.577 ( -2.117 13.380 -0.260) 13.549 11.557 ( -2.972 0.173 11.220) 11.608 12.381 ( 6.045 2.738 -11.330) 13.130 12.631 ( 0.165 -1.508 -0.531) 1.607 12.693 ( 0.127 0.649 -2.273) 2.367 13.170 ( -0.396 -2.789 0.703) 2.904 13.250 ( -0.954 1.294 -0.729) 1.765 14.463 ( -10.384 0.858 13.581) 17.117 15.074 ( 0.383 -1.219 -6.559) 6.682 15.129 ( 1.656 -0.752 -0.212) 1.831 15.216 ( 4.983 3.343 -2.121) 6.364 16.510 ( 4.539 0.126 2.931) 5.404 16.898 ( -7.057 1.470 -1.061) 7.286 21.108 ( 1.561 -3.831 1.278) 4.330 21.284 ( 1.041 3.984 -2.902) 5.037 22.315 ( -11.174 -30.892 10.502) 34.488 22.450 ( 1.030 -8.372 1.167) 8.515 23.135 ( -1.002 -0.224 -1.691) 1.979 23.243 ( -2.566 -4.900 -2.430) 6.041 23.740 ( 8.688 4.174 1.080) 9.698 23.949 ( 0.378 7.157 -1.373) 7.298 ======================= Grid point 216 (97/196) ======================= q-point: ( 0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 6.034 -0.000 17.047) 18.084 0.954 ( 0.798 -0.000 17.767) 17.785 1.217 ( 4.831 -0.000 22.375) 22.891 1.950 ( 0.702 -0.000 -9.227) 9.254 1.956 ( 7.043 -0.000 -15.601) 17.117 2.353 ( -3.073 0.000 -18.419) 18.673 2.921 ( -5.461 0.000 1.872) 5.773 3.204 ( -5.155 0.000 5.992) 7.905 3.360 ( 10.870 -0.000 3.904) 11.550 3.954 ( -4.334 0.000 9.552) 10.489 4.200 ( -4.066 0.000 7.362) 8.410 4.260 ( 0.123 -0.000 -0.185) 0.222 4.292 ( 2.721 -0.000 -6.177) 6.749 5.612 ( 6.188 -0.000 -15.275) 16.481 5.681 ( -4.739 0.000 5.460) 7.230 5.844 ( -2.322 0.000 7.539) 7.889 5.991 ( -0.779 0.000 5.175) 5.234 6.087 ( -0.475 0.000 -3.936) 3.965 6.994 ( -4.636 0.000 -1.576) 4.897 7.636 ( 5.118 -0.000 -15.284) 16.119 7.826 ( 1.866 -0.000 10.486) 10.651 8.665 ( 4.484 -0.000 -13.352) 14.085 9.055 ( -5.141 0.000 10.348) 11.555 9.713 ( 5.785 -0.000 -8.809) 10.539 9.840 ( -3.832 0.000 -0.432) 3.857 9.905 ( 1.942 -0.000 0.203) 1.952 10.326 ( -3.659 0.000 4.339) 5.676 10.411 ( -0.015 0.000 2.326) 2.326 11.555 ( -4.023 0.000 10.351) 11.106 12.393 ( 3.857 -0.000 -12.438) 13.022 12.632 ( -2.541 0.000 -1.812) 3.121 12.676 ( 2.102 -0.000 0.162) 2.108 13.219 ( 1.650 -0.000 -0.931) 1.894 13.244 ( 2.807 -0.000 0.201) 2.815 14.321 ( -7.753 0.000 13.376) 15.460 15.053 ( -0.111 0.000 -2.453) 2.456 15.202 ( 2.746 -0.000 -0.040) 2.746 15.379 ( 10.565 -0.000 -8.763) 13.726 16.652 ( -9.480 0.000 -3.157) 9.991 16.835 ( 18.309 -0.000 -0.125) 18.310 21.197 ( -1.555 0.000 -2.286) 2.765 21.199 ( 0.374 -0.000 1.349) 1.400 22.071 ( -31.035 0.000 10.738) 32.840 22.673 ( 10.016 -0.000 3.948) 10.766 23.147 ( 0.544 -0.000 1.302) 1.411 23.196 ( -3.645 0.000 -2.282) 4.300 23.779 ( -2.290 0.000 3.222) 3.953 23.811 ( -4.548 0.000 -1.931) 4.941 ======================= Grid point 217 (98/196) ======================= q-point: ( 0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 6.545 1.531 16.033) 17.385 1.125 ( 5.753 -6.701 13.256) 15.929 1.432 ( 2.991 -11.679 17.137) 20.952 1.946 ( 6.002 3.234 -10.653) 12.647 1.962 ( 2.771 -2.432 -9.606) 10.289 2.230 ( -4.776 4.272 -17.879) 18.993 2.853 ( -1.268 3.820 1.310) 4.233 3.162 ( -5.285 1.433 7.587) 9.357 3.502 ( 9.902 -3.970 1.762) 10.812 3.939 ( -4.116 0.794 9.919) 10.768 4.206 ( -4.256 -2.471 8.473) 9.798 4.272 ( 1.033 -1.210 -2.055) 2.599 4.291 ( 0.605 0.236 -4.930) 4.973 5.594 ( 2.477 2.575 -7.363) 8.184 5.675 ( -0.002 -1.135 -2.738) 2.964 5.892 ( -2.953 -4.507 7.197) 8.991 5.991 ( -1.894 -0.519 4.645) 5.043 6.056 ( 0.054 1.765 -3.188) 3.645 6.969 ( -3.615 -1.563 -1.629) 4.262 7.630 ( 5.214 1.185 -14.097) 15.077 7.885 ( 2.051 -1.832 9.801) 10.179 8.670 ( 4.299 -0.079 -12.612) 13.324 9.008 ( -7.222 2.492 8.649) 11.540 9.693 ( -0.312 8.829 -1.417) 8.947 9.702 ( 2.687 5.735 -4.360) 7.689 9.808 ( 0.001 9.321 -0.908) 9.365 10.425 ( -2.834 -10.651 3.878) 11.684 10.571 ( 0.136 -14.403 0.545) 14.414 11.545 ( -4.731 0.172 10.471) 11.491 12.418 ( 3.032 -3.398 -13.217) 13.979 12.609 ( -2.720 -0.248 -1.375) 3.058 12.691 ( 2.190 0.488 0.472) 2.293 13.200 ( 2.376 3.225 -0.274) 4.015 13.274 ( 3.015 -0.061 -0.162) 3.020 14.312 ( -5.681 -1.318 13.311) 14.533 15.047 ( 0.116 -0.098 -2.385) 2.390 15.216 ( 3.243 1.040 -0.349) 3.423 15.429 ( 7.886 0.697 -8.925) 11.930 16.556 ( -9.118 1.314 -2.530) 9.554 16.989 ( 18.502 -0.228 -1.667) 18.578 21.116 ( -1.841 3.865 1.429) 4.514 21.268 ( -0.341 -4.250 -1.675) 4.581 21.720 ( -24.790 13.609 18.007) 33.526 22.726 ( 9.520 5.202 2.206) 11.071 23.124 ( -0.007 4.256 -0.259) 4.264 23.135 ( -1.274 0.871 -0.710) 1.699 23.746 ( -8.444 -0.231 -1.594) 8.596 23.853 ( -1.576 -6.707 1.854) 7.135 ======================= Grid point 218 (99/196) ======================= q-point: ( 0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 7.901 -2.942 9.558) 12.745 1.327 ( 3.203 -7.723 8.681) 12.053 1.702 ( 2.098 -10.857 10.111) 14.983 1.873 ( 3.957 5.826 -7.418) 10.229 2.035 ( -0.143 -1.790 0.880) 2.000 2.088 ( -0.115 -1.396 -20.032) 20.080 2.792 ( 1.998 3.598 0.130) 4.117 3.117 ( -2.279 2.187 8.269) 8.852 3.640 ( 6.542 -3.225 0.353) 7.302 3.905 ( -4.159 2.360 10.641) 11.666 4.259 ( 0.884 1.040 -6.815) 6.951 4.269 ( -4.018 -5.387 9.115) 11.325 4.316 ( -1.046 -3.407 0.686) 3.629 5.547 ( 1.001 2.422 -4.153) 4.911 5.672 ( 3.024 2.179 -8.691) 9.457 5.917 ( -2.928 0.469 6.449) 7.099 6.004 ( 1.232 2.462 -4.444) 5.228 6.089 ( -2.452 -9.764 5.081) 11.277 6.985 ( -2.410 -3.623 -1.318) 4.547 7.604 ( 5.194 2.755 -12.308) 13.641 7.969 ( 1.146 -3.241 8.884) 9.526 8.670 ( 3.386 0.183 -10.383) 10.923 8.896 ( -8.780 4.727 7.981) 12.772 9.484 ( 0.420 12.826 5.314) 13.890 9.608 ( 1.400 8.574 -1.587) 8.831 9.666 ( 0.187 3.945 -8.838) 9.681 10.616 ( -2.210 -11.652 3.424) 12.344 10.843 ( 0.358 -15.154 -1.084) 15.197 11.528 ( -5.305 0.217 11.413) 12.587 12.485 ( 2.940 -4.948 -13.228) 14.426 12.583 ( -2.963 -0.003 -1.922) 3.532 12.697 ( 2.136 1.108 0.562) 2.471 13.150 ( 1.485 4.174 0.944) 4.530 13.292 ( 2.820 0.611 0.163) 2.890 14.341 ( -3.607 -2.302 12.824) 13.519 15.048 ( 0.841 -0.281 -2.426) 2.583 15.216 ( 3.927 2.257 -0.941) 4.626 15.434 ( 4.150 1.751 -7.902) 9.096 16.447 ( -8.623 1.831 -1.671) 8.972 17.134 ( 16.561 -0.209 -1.688) 16.648 21.040 ( -2.813 3.278 3.783) 5.743 21.332 ( 0.124 -3.725 -3.735) 5.277 21.373 ( -15.427 11.308 19.298) 27.171 22.615 ( 6.036 14.050 -5.905) 16.392 23.055 ( 1.362 3.849 2.568) 4.824 23.151 ( 1.181 -2.751 -0.740) 3.084 23.675 ( -8.983 -0.514 0.377) 9.006 23.963 ( -1.405 -6.242 0.695) 6.436 ======================= Grid point 219 (100/196) ======================= q-point: ( 0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 6.559 -3.382 0.910) 7.435 1.458 ( -0.246 -3.555 1.463) 3.853 1.787 ( 3.925 3.981 -0.070) 5.591 1.845 ( 0.361 -1.592 -1.155) 2.000 2.075 ( -1.458 -8.680 4.628) 9.945 2.199 ( 3.563 -7.035 -7.926) 11.181 2.751 ( 2.613 3.608 -0.472) 4.480 3.098 ( 1.595 1.987 8.140) 8.529 3.716 ( 2.359 -1.090 -1.236) 2.877 3.841 ( -5.437 3.625 13.293) 14.812 4.226 ( 0.679 0.972 -5.533) 5.659 4.346 ( -1.661 -3.237 1.214) 3.836 4.423 ( -2.955 -9.879 7.837) 12.951 5.501 ( 1.895 3.207 -6.747) 7.707 5.592 ( 1.481 6.052 -5.980) 8.636 5.899 ( -2.084 0.732 3.958) 4.533 5.953 ( 3.170 3.749 -4.914) 6.947 6.289 ( -1.794 -13.293 0.229) 13.416 7.051 ( -1.012 -5.624 -0.413) 5.729 7.548 ( 4.572 5.202 -9.302) 11.597 8.057 ( -0.295 -3.673 7.644) 8.486 8.668 ( 2.052 0.016 -7.764) 8.031 8.764 ( -7.895 4.059 9.449) 12.965 9.280 ( -0.417 11.907 5.867) 13.280 9.478 ( 0.921 5.953 -2.144) 6.394 9.586 ( 1.349 3.505 -9.715) 10.415 10.802 ( -1.465 -9.841 3.442) 10.528 11.081 ( 0.149 -11.686 -2.053) 11.866 11.514 ( -5.274 -0.072 12.899) 13.936 12.526 ( 0.257 1.310 -0.636) 1.479 12.580 ( -0.184 -4.446 -14.011) 14.701 12.690 ( 2.244 1.384 -0.941) 2.799 13.093 ( -0.242 3.180 2.608) 4.120 13.301 ( 2.182 0.785 0.797) 2.451 14.395 ( -2.212 -2.705 12.066) 12.562 15.059 ( 2.060 -0.377 -2.388) 3.176 15.193 ( 3.999 3.712 -1.731) 5.724 15.402 ( 0.764 1.724 -6.558) 6.824 16.351 ( -7.493 0.889 -0.505) 7.563 17.254 ( 13.320 0.322 -2.129) 13.493 20.975 ( -3.159 2.677 5.800) 7.127 21.174 ( -8.236 5.331 13.818) 16.946 21.385 ( 0.362 -3.102 -4.283) 5.301 22.350 ( 4.197 16.520 -12.488) 21.130 23.014 ( 0.796 3.106 3.933) 5.075 23.224 ( 1.965 -3.496 -1.771) 4.384 23.633 ( -6.450 -1.529 4.385) 7.947 24.047 ( -1.040 -4.365 -0.486) 4.514 ======================= Grid point 220 (101/196) ======================= q-point: ( 0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 6.615 -0.565 -6.367) 9.199 1.449 ( 0.089 4.750 -2.354) 5.302 1.767 ( 2.159 -0.976 1.756) 2.949 1.932 ( -0.746 -6.609 6.523) 9.316 2.233 ( -0.810 -6.970 5.330) 8.812 2.304 ( 2.867 -3.839 -7.139) 8.598 2.692 ( 1.113 4.963 -0.830) 5.153 3.111 ( 3.076 1.307 6.485) 7.296 3.685 ( -4.886 3.072 0.904) 5.842 3.800 ( -3.505 0.326 13.453) 13.906 4.211 ( 1.645 0.489 -3.631) 4.016 4.378 ( -1.866 -1.789 0.735) 2.687 4.623 ( -1.969 -12.317 6.389) 14.015 5.372 ( 2.305 10.752 -7.395) 13.252 5.529 ( 0.399 0.182 -4.160) 4.183 5.872 ( -1.149 1.315 -1.275) 2.162 5.905 ( 3.383 3.306 -3.304) 5.770 6.504 ( 0.743 -11.609 -6.277) 13.218 7.156 ( -0.147 -6.584 0.673) 6.620 7.444 ( 2.608 7.782 -4.727) 9.471 8.125 ( -1.355 -2.305 7.177) 7.658 8.645 ( -1.980 0.886 0.278) 2.187 8.717 ( -2.078 -0.947 5.102) 5.590 9.102 ( -1.620 8.554 5.537) 10.318 9.408 ( 1.854 2.417 -3.462) 4.611 9.513 ( 1.476 3.096 -9.856) 10.436 10.943 ( -0.971 -5.915 3.705) 7.047 11.236 ( 0.099 -6.215 -2.590) 6.734 11.513 ( -4.803 -0.618 14.250) 15.050 12.492 ( -1.423 1.408 1.771) 2.673 12.593 ( 1.963 0.830 -9.276) 9.518 12.698 ( 2.417 -1.589 -9.106) 9.554 13.055 ( -1.730 1.147 4.217) 4.700 13.306 ( 1.400 0.688 1.208) 1.973 14.456 ( -1.841 -2.518 11.339) 11.760 15.078 ( 3.882 0.767 -2.154) 4.506 15.144 ( 1.738 3.485 -2.757) 4.771 15.363 ( -0.730 0.732 -5.460) 5.557 16.298 ( -5.393 -1.000 0.747) 5.536 17.321 ( 8.771 1.863 -3.486) 9.620 20.932 ( -2.038 1.462 6.498) 6.965 21.103 ( -5.021 0.550 9.774) 11.002 21.424 ( 0.936 -2.068 -5.072) 5.557 22.086 ( 4.054 12.085 -15.048) 19.722 22.977 ( 0.049 2.642 4.257) 5.010 23.275 ( 0.161 -1.919 -3.652) 4.129 23.651 ( -2.403 -2.652 7.657) 8.452 24.098 ( -0.730 -2.641 -1.377) 3.066 ======================= Grid point 221 (102/196) ======================= q-point: (-0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 1.175 10.584 -3.016) 11.068 1.366 ( 8.604 3.223 -3.954) 10.002 1.856 ( 0.161 -5.573 4.345) 7.068 2.060 ( -3.138 -6.738 7.638) 10.658 2.300 ( -3.852 -0.407 4.138) 5.668 2.348 ( 4.283 -0.521 -7.587) 8.728 2.594 ( 0.871 5.696 -3.322) 6.651 3.114 ( -0.647 1.344 3.023) 3.370 3.593 ( -5.773 2.158 4.664) 7.729 3.814 ( -3.995 -1.108 13.550) 14.170 4.216 ( 3.032 0.211 -2.889) 4.193 4.381 ( -2.357 -0.375 0.778) 2.510 4.798 ( -1.347 -3.637 6.118) 7.244 5.212 ( 1.720 3.371 -6.435) 7.465 5.543 ( 1.499 -1.982 -5.013) 5.596 5.832 ( 0.950 1.230 -9.141) 9.272 5.879 ( 1.273 1.697 2.387) 3.193 6.635 ( 2.979 -2.480 -10.336) 11.039 7.273 ( -0.064 -5.906 0.202) 5.910 7.317 ( 0.222 5.244 -1.000) 5.343 8.139 ( -1.814 2.068 8.567) 8.998 8.648 ( 0.362 -1.775 1.731) 2.506 8.747 ( -2.068 -2.484 5.030) 5.979 9.004 ( -1.895 1.832 5.092) 5.734 9.403 ( 2.140 -0.953 -4.676) 5.230 9.458 ( 1.807 1.308 -9.442) 9.702 11.003 ( -0.706 -0.390 4.195) 4.272 11.282 ( 0.262 0.462 -2.821) 2.870 11.529 ( -4.293 -1.034 14.770) 15.416 12.474 ( -1.602 -0.295 2.315) 2.830 12.562 ( 2.641 1.863 -6.466) 7.228 12.716 ( 2.880 -0.796 -12.862) 13.204 13.044 ( -2.259 -0.286 5.190) 5.668 13.307 ( 0.654 0.509 1.083) 1.364 14.507 ( -2.519 -1.799 10.991) 11.418 15.052 ( 2.564 4.122 -2.818) 5.613 15.123 ( 0.787 -0.608 -2.654) 2.834 15.338 ( -0.092 0.151 -5.157) 5.160 16.303 ( -2.444 -2.811 1.756) 4.119 17.308 ( 3.287 4.113 -4.942) 7.221 20.924 ( -0.678 0.199 6.752) 6.789 21.108 ( -4.100 -2.498 8.512) 9.772 21.444 ( 1.350 -0.665 -5.251) 5.463 21.946 ( 4.744 2.857 -14.511) 15.532 22.948 ( -0.519 1.445 3.935) 4.224 23.281 ( -1.161 -0.488 -3.363) 3.591 23.710 ( 0.427 -2.267 7.405) 7.756 24.123 ( -0.647 -1.253 -1.819) 2.301 ======================= Grid point 222 (103/196) ======================= q-point: (-0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -0.410 12.503 -1.279) 12.575 1.362 ( 12.024 7.841 2.739) 14.614 1.938 ( -3.262 -2.077 6.234) 7.336 2.118 ( -6.317 -1.639 1.352) 6.665 2.214 ( -6.725 4.983 4.165) 9.349 2.340 ( 5.007 3.196 -9.075) 10.846 2.549 ( 3.685 -1.078 -4.223) 5.708 3.078 ( -5.073 -0.459 -0.949) 5.181 3.546 ( -3.046 1.220 7.092) 7.814 3.842 ( -4.743 -2.007 14.461) 15.351 4.233 ( 4.157 0.350 -4.357) 6.033 4.362 ( -2.225 0.414 0.905) 2.438 4.703 ( -2.893 10.921 7.862) 13.765 5.304 ( 3.343 -9.888 -8.568) 13.505 5.586 ( 1.514 -2.327 -3.535) 4.495 5.815 ( 1.835 -1.449 -9.947) 10.218 5.879 ( 0.324 0.060 3.767) 3.781 6.560 ( 2.189 10.146 -6.179) 12.080 7.239 ( -0.969 2.117 -0.294) 2.347 7.402 ( 0.927 -7.422 -5.957) 9.562 8.063 ( -2.176 7.093 10.867) 13.158 8.701 ( 2.657 -2.093 -3.432) 4.818 8.802 ( -2.929 -4.245 9.622) 10.917 9.042 ( -1.414 -6.201 4.855) 8.001 9.418 ( 1.445 -1.095 -8.464) 8.656 9.485 ( 2.798 -4.126 -5.050) 7.096 10.968 ( -0.442 4.991 4.377) 6.653 11.211 ( 0.404 6.768 -2.742) 7.313 11.550 ( -4.039 -0.718 14.441) 15.013 12.488 ( -1.212 -1.773 1.994) 2.930 12.546 ( 3.627 0.983 -7.098) 8.031 12.707 ( 2.925 0.560 -11.476) 11.856 13.052 ( -2.004 -1.090 5.276) 5.748 13.303 ( -0.138 0.503 0.335) 0.620 14.529 ( -4.358 -0.420 11.260) 12.081 15.002 ( 0.397 1.278 -4.314) 4.516 15.133 ( 1.068 -0.041 -1.670) 1.983 15.326 ( 1.522 0.497 -5.348) 5.583 16.361 ( 0.871 -3.714 2.449) 4.533 17.207 ( -2.071 6.068 -5.592) 8.508 20.946 ( 0.083 -1.023 6.653) 6.732 21.171 ( -4.779 -6.335 11.029) 13.587 21.443 ( 1.363 0.609 -4.691) 4.923 21.990 ( 5.898 -6.322 -11.880) 14.693 22.943 ( -0.868 -0.701 2.801) 3.015 23.261 ( -1.669 0.548 -2.295) 2.890 23.767 ( 1.947 -1.124 5.481) 5.924 24.123 ( -0.838 -0.007 -1.948) 2.120 ======================= Grid point 223 (104/196) ======================= q-point: (-0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 0.165 10.296 3.842) 10.991 1.288 ( 10.671 13.000 8.877) 19.018 1.835 ( -6.914 11.646 10.436) 17.098 2.034 ( -7.360 1.589 -7.441) 10.586 2.104 ( -4.808 2.388 1.989) 5.725 2.321 ( 5.656 -0.212 -15.847) 16.828 2.644 ( 2.543 -5.770 1.911) 6.589 3.069 ( -4.546 -3.804 -2.489) 6.429 3.515 ( -1.370 2.978 8.028) 8.672 3.883 ( -4.624 -2.906 13.371) 14.443 4.241 ( 4.203 1.092 -6.851) 8.111 4.341 ( -0.900 0.767 1.138) 1.641 4.501 ( -4.847 10.014 10.122) 15.041 5.464 ( 5.021 -6.161 -12.670) 14.956 5.632 ( 0.291 -3.247 -1.677) 3.666 5.868 ( 1.798 -4.429 -3.476) 5.910 5.899 ( 0.392 -1.249 1.622) 2.084 6.336 ( 0.299 14.181 0.258) 14.186 7.192 ( -2.144 2.000 -1.341) 3.224 7.513 ( 2.636 -5.906 -12.029) 13.657 7.937 ( -1.869 8.032 12.486) 14.963 8.726 ( 1.777 -0.386 -8.154) 8.354 8.892 ( -2.104 -4.625 12.214) 13.229 9.215 ( -0.535 -12.378 4.610) 13.219 9.450 ( 1.663 -3.618 -7.292) 8.309 9.589 ( 2.450 -6.091 -4.221) 7.805 10.850 ( -0.325 9.005 3.751) 9.760 11.045 ( 0.486 11.528 -2.250) 11.755 11.561 ( -4.044 -0.164 13.514) 14.107 12.500 ( 2.494 1.507 -5.548) 6.266 12.557 ( 2.358 -1.417 -2.917) 4.010 12.697 ( 1.890 -0.069 -6.982) 7.233 13.077 ( -1.319 -1.894 4.288) 4.869 13.286 ( -1.000 0.798 -0.765) 1.490 14.505 ( -7.111 1.175 11.774) 13.805 15.000 ( 1.154 -1.673 -5.555) 5.915 15.132 ( 0.499 0.409 -0.677) 0.935 15.315 ( 3.605 1.539 -5.245) 6.548 16.453 ( 4.179 -3.324 3.067) 6.158 17.045 ( -5.905 6.370 -5.158) 10.102 20.994 ( 0.346 -2.296 5.183) 5.679 21.328 ( -4.919 -11.560 12.235) 17.537 21.429 ( -1.595 -1.445 1.113) 2.423 22.172 ( 6.992 -10.103 -7.585) 14.439 22.977 ( -1.073 -3.583 0.734) 3.811 23.224 ( -1.923 1.218 -1.815) 2.911 23.809 ( 2.808 -0.061 3.636) 4.594 24.096 ( -1.489 1.483 -2.160) 3.014 ======================= Grid point 224 (105/196) ======================= q-point: (-0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 1.407 4.047 13.317) 13.989 1.137 ( 6.250 14.583 13.011) 20.519 1.553 ( -5.288 16.448 14.740) 22.710 1.948 ( -2.649 -0.099 -12.505) 12.783 2.038 ( -1.179 2.366 -3.705) 4.552 2.348 ( 1.764 -3.927 -17.793) 18.306 2.777 ( -0.736 -7.061 4.996) 8.681 3.118 ( -1.008 -4.544 -1.753) 4.973 3.452 ( -0.428 5.772 7.909) 9.801 3.931 ( -4.089 -2.698 10.661) 11.733 4.237 ( 3.841 0.650 -6.740) 7.785 4.315 ( -0.560 3.416 3.605) 4.998 4.346 ( -4.933 4.390 7.345) 9.876 5.539 ( 4.923 -2.533 -13.565) 14.651 5.690 ( -0.357 -2.945 -1.600) 3.370 5.921 ( -1.649 -0.934 7.355) 7.595 5.970 ( 3.426 -4.100 -4.589) 7.043 6.107 ( -1.167 10.763 3.950) 11.524 7.125 ( -3.865 2.163 -1.599) 4.709 7.586 ( 4.074 -3.372 -15.122) 16.020 7.837 ( -0.579 5.508 12.747) 13.898 8.708 ( 1.718 0.929 -11.236) 11.405 8.982 ( -2.257 -3.701 12.443) 13.176 9.462 ( 1.934 -12.452 1.801) 12.729 9.541 ( 0.388 -8.085 -3.847) 8.962 9.705 ( 1.422 -6.271 -3.795) 7.466 10.671 ( -0.873 11.628 2.834) 12.000 10.813 ( 0.369 14.355 -1.171) 14.407 11.562 ( -3.966 0.064 12.201) 12.830 12.459 ( 5.072 3.680 -10.294) 12.051 12.604 ( 1.413 -2.112 -0.309) 2.560 12.696 ( 0.435 0.156 -3.989) 4.015 13.120 ( -0.508 -2.721 2.597) 3.796 13.258 ( -0.974 0.883 -1.291) 1.843 14.440 ( -9.070 1.822 12.302) 15.392 15.039 ( 2.178 -2.171 -5.634) 6.418 15.132 ( 1.001 -0.209 0.019) 1.023 15.307 ( 6.175 2.271 -4.997) 8.261 16.558 ( 7.638 -2.116 3.587) 8.699 16.880 ( -7.194 4.391 -4.283) 9.454 21.057 ( 0.147 -3.288 3.173) 4.571 21.351 ( 1.328 3.344 -4.094) 5.450 21.687 ( -14.373 -25.983 21.320) 36.555 22.387 ( 7.745 -8.018 -2.108) 11.345 23.053 ( -1.141 -5.895 -1.606) 6.216 23.183 ( -1.983 0.754 -1.864) 2.824 23.833 ( 2.898 0.923 2.222) 3.766 24.026 ( -3.210 3.981 -2.471) 5.680 ======================= Grid point 227 (106/196) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 6.975 -0.000 13.139) 14.876 1.174 ( 9.736 -0.000 15.533) 18.332 1.380 ( 2.183 -0.000 16.035) 16.183 1.932 ( 2.589 -0.000 -8.049) 8.455 2.011 ( 7.266 -0.000 -12.877) 14.786 2.186 ( -4.575 0.000 -16.599) 17.218 2.887 ( 0.548 -0.000 0.500) 0.742 3.138 ( -7.018 0.000 9.994) 12.212 3.564 ( 11.176 -0.000 1.468) 11.272 3.936 ( -4.541 0.000 11.537) 12.399 4.178 ( -2.877 0.000 6.328) 6.951 4.239 ( -2.749 0.000 -0.211) 2.757 4.301 ( 2.693 -0.000 -7.596) 8.059 5.632 ( 4.606 -0.000 -11.627) 12.506 5.641 ( -3.619 0.000 6.097) 7.090 5.842 ( -1.800 0.000 5.692) 5.970 5.989 ( -2.568 0.000 4.769) 5.416 6.053 ( -1.240 0.000 -3.255) 3.484 6.927 ( -2.450 0.000 -1.452) 2.848 7.645 ( 5.121 -0.000 -13.669) 14.597 7.914 ( 2.598 -0.000 8.546) 8.932 8.679 ( 5.606 -0.000 -13.310) 14.442 8.987 ( -8.388 0.000 7.629) 11.338 9.716 ( 1.199 -0.000 -10.075) 10.146 9.803 ( -1.052 0.000 1.402) 1.753 9.940 ( 1.668 -0.000 -0.425) 1.721 10.307 ( -1.520 0.000 5.069) 5.292 10.404 ( -2.121 0.000 2.077) 2.968 11.533 ( -5.020 0.000 9.701) 10.923 12.365 ( 0.965 -0.000 -13.767) 13.801 12.586 ( -1.992 0.000 -0.089) 1.994 12.716 ( 2.384 -0.000 0.538) 2.444 13.258 ( 3.894 -0.000 -2.271) 4.508 13.296 ( 2.971 -0.000 0.253) 2.981 14.298 ( -3.561 0.000 14.198) 14.638 15.041 ( 0.045 -0.000 -1.915) 1.915 15.248 ( 2.756 -0.000 -0.171) 2.761 15.478 ( 7.323 -0.000 -9.692) 12.147 16.496 ( -7.475 0.000 -1.008) 7.543 17.135 ( 18.340 -0.000 -4.366) 18.852 21.153 ( -2.233 0.000 -2.329) 3.226 21.208 ( -0.498 0.000 2.898) 2.941 21.667 ( -26.482 0.000 17.857) 31.940 22.860 ( 9.372 -0.000 3.818) 10.120 23.134 ( -2.414 0.000 -1.418) 2.800 23.165 ( 0.725 -0.000 2.341) 2.450 23.696 ( -7.369 0.000 -3.969) 8.370 23.746 ( -3.349 0.000 2.849) 4.397 ======================= Grid point 228 (107/196) ======================= q-point: ( 0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 8.738 1.318 10.820) 13.970 1.320 ( 8.567 -2.663 12.534) 15.414 1.540 ( 0.612 -10.682 11.993) 16.072 1.971 ( 1.626 -0.808 -6.638) 6.882 1.977 ( 3.595 1.200 -12.151) 12.728 2.088 ( 0.596 3.950 -13.139) 13.733 2.874 ( 3.246 2.962 0.870) 4.480 3.120 ( -5.042 -0.789 10.910) 12.045 3.664 ( 8.554 -1.104 0.179) 8.627 3.926 ( -4.194 0.671 11.428) 12.192 4.187 ( -3.228 -2.094 7.400) 8.341 4.232 ( -4.269 -2.095 -0.550) 4.787 4.293 ( 2.975 0.709 -7.598) 8.190 5.591 ( -0.142 2.708 -0.318) 2.731 5.673 ( 2.576 -1.859 -6.979) 7.668 5.881 ( -2.509 -3.524 6.564) 7.862 5.972 ( -2.402 -0.296 2.886) 3.767 6.037 ( -1.047 -0.059 -1.259) 1.638 6.920 ( -1.407 -1.538 -0.942) 2.288 7.645 ( 5.144 0.927 -12.954) 13.969 7.967 ( 2.088 -1.261 7.505) 7.891 8.685 ( 5.392 0.685 -12.797) 13.903 8.910 ( -9.042 2.726 7.571) 12.104 9.678 ( 0.627 2.472 -8.866) 9.226 9.712 ( 0.710 8.445 1.913) 8.688 9.799 ( -1.246 12.120 -0.187) 12.185 10.414 ( -1.003 -9.850 4.247) 10.774 10.562 ( -1.480 -15.198 0.492) 15.278 11.514 ( -5.316 0.056 9.908) 11.245 12.369 ( 0.011 -4.155 -14.111) 14.710 12.571 ( -1.398 0.324 0.431) 1.499 12.732 ( 2.258 0.597 0.688) 2.435 13.246 ( 3.380 3.825 -1.561) 5.338 13.322 ( 2.717 0.047 -0.581) 2.779 14.325 ( -1.603 -1.097 14.435) 14.565 15.040 ( 0.361 -0.344 -1.723) 1.794 15.266 ( 2.857 0.447 -0.620) 2.958 15.488 ( 5.132 2.064 -9.196) 10.732 16.423 ( -5.714 1.992 0.766) 6.100 17.262 ( 15.727 0.234 -4.992) 16.502 21.087 ( -2.325 3.388 1.254) 4.297 21.256 ( -0.386 -3.702 -0.079) 3.723 21.444 ( -20.412 6.985 19.745) 29.246 22.862 ( 5.631 8.870 -0.785) 10.536 23.119 ( 0.291 -1.188 0.048) 1.224 23.148 ( 1.751 3.610 2.425) 4.688 23.596 ( -8.008 0.441 -2.647) 8.446 23.819 ( -3.324 -7.629 1.115) 8.397 ======================= Grid point 229 (108/196) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 9.174 -0.856 5.043) 10.503 1.441 ( 4.211 -1.449 7.393) 8.631 1.767 ( 0.827 -9.435 6.495) 11.484 1.886 ( -0.337 1.067 -2.861) 3.072 1.992 ( 2.684 4.487 -9.410) 10.765 2.094 ( 5.234 -6.785 -6.442) 10.720 2.844 ( 3.178 4.012 2.104) 5.534 3.139 ( -0.597 -0.640 10.546) 10.582 3.725 ( 3.946 0.004 -2.429) 4.634 3.891 ( -4.648 2.868 11.275) 12.529 4.208 ( -3.848 -1.500 -2.328) 4.741 4.258 ( -2.600 -4.589 6.747) 8.564 4.312 ( 1.475 -2.652 -2.442) 3.895 5.542 ( 0.218 2.578 -1.192) 2.848 5.676 ( 3.551 2.591 -10.894) 11.748 5.902 ( -2.781 0.202 6.542) 7.111 5.999 ( 1.092 0.073 -4.489) 4.620 6.072 ( -2.985 -8.489 5.801) 10.706 6.958 ( -0.353 -3.855 -0.164) 3.875 7.628 ( 5.288 2.401 -11.775) 13.129 8.028 ( 0.954 -2.148 6.367) 6.787 8.675 ( 3.633 1.075 -11.380) 11.994 8.795 ( -8.133 4.063 9.539) 13.177 9.515 ( -0.694 13.565 4.366) 14.267 9.600 ( -0.682 7.270 -2.210) 7.629 9.626 ( 0.930 3.399 -8.270) 8.989 10.611 ( -0.737 -11.382 3.626) 11.968 10.830 ( -1.094 -15.479 -1.180) 15.563 11.499 ( -5.229 -0.244 11.117) 12.288 12.429 ( -0.199 -6.620 -14.662) 16.088 12.550 ( -0.875 1.184 0.864) 1.707 12.734 ( 1.915 1.353 0.516) 2.401 13.183 ( 1.922 5.234 -0.148) 5.578 13.332 ( 1.898 0.688 -0.554) 2.094 14.380 ( -0.372 -1.672 13.869) 13.974 15.052 ( 0.913 -0.886 -1.664) 2.094 15.275 ( 3.671 1.373 -1.489) 4.193 15.441 ( 1.954 3.827 -8.077) 9.149 16.343 ( -3.712 2.891 2.654) 5.402 17.356 ( 11.620 0.537 -5.075) 12.691 21.017 ( -2.365 3.065 4.234) 5.736 21.233 ( -12.720 6.166 16.411) 21.659 21.318 ( -0.073 -3.507 -1.304) 3.742 22.645 ( 2.475 16.419 -8.927) 18.852 23.100 ( 1.937 4.065 3.140) 5.489 23.174 ( 1.301 -3.214 0.007) 3.467 23.556 ( -5.388 -2.343 1.458) 6.054 23.927 ( -3.081 -7.069 -0.005) 7.712 ======================= Grid point 230 (109/196) ======================= q-point: ( 0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 11.526 -0.428 -1.735) 11.664 1.488 ( 0.632 -0.503 3.599) 3.688 1.829 ( 0.946 3.362 -3.685) 5.077 1.880 ( 4.068 -0.237 3.661) 5.477 2.068 ( -2.068 -10.801 5.235) 12.180 2.238 ( 5.605 -5.808 -6.928) 10.637 2.792 ( 1.363 4.926 3.011) 5.932 3.174 ( 2.016 0.829 8.836) 9.101 3.703 ( -2.022 2.770 -4.871) 5.957 3.823 ( -5.199 2.528 13.403) 14.596 4.207 ( -0.401 -1.359 -2.028) 2.475 4.318 ( -1.116 -2.913 -2.346) 3.903 4.427 ( -1.449 -9.362 8.104) 12.467 5.496 ( 1.306 3.006 -5.005) 5.983 5.583 ( 1.521 6.733 -7.176) 9.957 5.884 ( -2.050 1.199 3.504) 4.233 5.973 ( 2.384 2.385 -5.203) 6.201 6.267 ( -1.085 -13.161 0.995) 13.243 7.047 ( 0.428 -5.905 0.864) 5.984 7.576 ( 4.688 5.378 -9.304) 11.724 8.090 ( -0.131 -2.670 5.757) 6.348 8.641 ( -1.670 1.306 -4.076) 4.594 8.718 ( -2.627 1.496 6.870) 7.505 9.281 ( -2.819 11.927 4.416) 13.027 9.487 ( 1.547 5.506 -1.363) 5.879 9.554 ( 1.063 3.161 -9.855) 10.404 10.805 ( -0.551 -9.790 3.581) 10.439 11.063 ( -0.768 -12.034 -2.204) 12.258 11.497 ( -4.909 -0.729 12.795) 13.724 12.497 ( -1.695 -2.775 -5.871) 6.711 12.533 ( 1.879 -1.733 -7.807) 8.214 12.716 ( 1.398 2.232 -0.728) 2.733 13.106 ( 0.203 4.284 2.106) 4.778 13.329 ( 0.839 0.773 -0.143) 1.150 14.444 ( -0.134 -1.644 12.780) 12.886 15.077 ( 1.383 -1.362 -1.836) 2.671 15.259 ( 5.330 4.663 -3.097) 7.729 15.359 ( -1.852 2.379 -6.068) 6.776 16.286 ( -1.202 1.971 4.617) 5.162 17.400 ( 6.438 1.459 -6.395) 9.191 20.966 ( -1.667 2.228 6.213) 6.808 21.108 ( -7.875 2.754 12.588) 15.101 21.372 ( 0.818 -3.071 -3.758) 4.922 22.333 ( 2.228 16.601 -13.847) 21.732 23.053 ( 1.339 3.925 4.121) 5.847 23.229 ( 0.030 -2.469 -2.405) 3.447 23.593 ( -1.824 -3.833 5.987) 7.339 24.012 ( -2.570 -5.275 -1.240) 5.997 ======================= Grid point 231 (110/196) ======================= q-point: (-0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 4.569 6.230 -1.431) 7.857 1.482 ( 11.714 0.285 -0.818) 11.746 1.796 ( 0.089 -1.392 2.066) 2.493 1.955 ( -1.214 -4.032 6.176) 7.475 2.223 ( -2.775 -6.391 5.000) 8.576 2.342 ( 5.764 -2.742 -7.806) 10.083 2.707 ( 0.585 6.191 2.079) 6.557 3.160 ( -1.492 3.708 3.841) 5.544 3.605 ( -4.127 2.954 1.176) 5.209 3.799 ( -4.748 -0.174 12.655) 13.518 4.232 ( 2.183 -0.792 -0.644) 2.410 4.340 ( -1.985 -1.721 -2.630) 3.717 4.633 ( -1.176 -12.206 7.035) 14.137 5.363 ( 1.436 10.763 -7.604) 13.256 5.519 ( 0.969 -0.089 -3.864) 3.985 5.845 ( -1.372 1.898 -0.727) 2.452 5.935 ( 2.579 2.583 -4.514) 5.805 6.491 ( 1.655 -11.730 -5.766) 13.175 7.165 ( 0.431 -6.298 1.437) 6.474 7.462 ( 2.585 8.654 -4.827) 10.241 8.146 ( -0.743 -1.978 6.826) 7.145 8.616 ( -2.089 -1.151 2.136) 3.202 8.715 ( -1.038 -0.743 3.419) 3.649 9.089 ( -3.106 8.047 4.932) 9.936 9.425 ( 2.135 2.612 -2.937) 4.473 9.486 ( 1.722 2.698 -10.060) 10.557 10.951 ( -0.598 -5.927 3.919) 7.130 11.220 ( -0.167 -6.644 -2.758) 7.195 11.510 ( -4.718 -1.177 14.157) 14.969 12.477 ( -1.312 1.171 2.464) 3.027 12.582 ( 3.591 -1.974 -12.814) 13.453 12.684 ( 0.681 0.694 -5.535) 5.620 13.057 ( -0.875 1.878 4.595) 5.041 13.320 ( -0.144 0.593 0.128) 0.623 14.497 ( -0.841 -1.137 11.662) 11.747 15.107 ( 0.852 -1.190 -2.474) 2.874 15.168 ( 2.524 7.124 -4.119) 8.608 15.324 ( 0.051 -0.273 -4.262) 4.271 16.285 ( 1.736 0.011 6.138) 6.378 17.371 ( 0.888 3.128 -8.528) 9.127 20.946 ( -0.672 0.919 6.738) 6.833 21.065 ( -5.318 -0.539 9.388) 10.803 21.417 ( 1.490 -2.132 -4.819) 5.476 22.065 ( 3.192 10.975 -15.456) 19.223 23.005 ( 0.316 3.531 4.547) 5.765 23.251 ( -0.249 -1.170 -3.120) 3.342 23.675 ( -0.128 -3.907 7.705) 8.640 24.065 ( -1.972 -3.432 -2.281) 4.568 ======================= Grid point 232 (111/196) ======================= q-point: (-0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 2.472 12.386 -1.300) 12.697 1.591 ( 15.949 3.010 2.949) 16.496 1.861 ( -1.529 -4.052 3.806) 5.766 2.009 ( -7.838 -3.875 5.836) 10.512 2.249 ( -4.487 1.592 3.386) 5.842 2.390 ( 5.469 0.214 -8.844) 10.400 2.617 ( 3.078 4.999 0.371) 5.882 3.049 ( -6.916 3.598 -2.934) 8.330 3.566 ( -0.811 0.847 7.132) 7.228 3.807 ( -5.377 -1.408 13.988) 15.052 4.263 ( 3.952 -0.051 -1.938) 4.402 4.335 ( -3.048 -0.823 -0.480) 3.194 4.807 ( -1.565 -2.691 6.177) 6.917 5.205 ( 1.665 2.199 -6.697) 7.243 5.544 ( 1.720 -2.346 -4.786) 5.601 5.802 ( 0.399 1.095 -5.860) 5.974 5.907 ( 1.449 1.596 -1.051) 2.398 6.631 ( 3.209 -2.727 -10.345) 11.169 7.275 ( 0.041 -4.928 0.475) 4.951 7.317 ( 0.399 6.218 -0.947) 6.302 8.163 ( -1.350 2.176 9.592) 9.928 8.656 ( -0.140 -3.530 0.016) 3.533 8.737 ( -2.314 -2.179 5.799) 6.613 8.994 ( -2.388 1.073 5.111) 5.743 9.405 ( 1.412 0.582 -6.391) 6.571 9.455 ( 3.419 -0.370 -7.691) 8.424 11.014 ( -0.883 -0.488 4.355) 4.470 11.272 ( 0.497 0.164 -2.874) 2.921 11.532 ( -4.719 -1.393 14.597) 15.404 12.465 ( -0.895 -0.219 2.714) 2.866 12.582 ( 3.606 1.534 -5.805) 7.004 12.685 ( 2.067 -1.644 -13.505) 13.761 13.047 ( -1.032 0.187 6.024) 6.114 13.307 ( -0.974 0.463 -0.063) 1.080 14.525 ( -2.533 -0.078 10.980) 11.269 15.044 ( -0.731 4.439 -4.633) 6.458 15.135 ( 1.404 -0.203 -1.499) 2.064 15.329 ( 2.348 -0.299 -4.671) 5.236 16.345 ( 4.556 -1.838 6.814) 8.400 17.261 ( -3.804 5.045 -10.098) 11.912 20.953 ( -0.556 -0.170 6.817) 6.842 21.081 ( -4.260 -2.877 8.688) 10.095 21.443 ( 1.836 -0.657 -5.124) 5.483 21.948 ( 4.750 0.997 -14.639) 15.422 22.964 ( -0.439 2.183 4.441) 4.968 23.252 ( -0.136 0.110 -2.553) 2.559 23.756 ( -0.047 -2.878 7.222) 7.774 24.089 ( -1.426 -1.778 -2.926) 3.709 ======================= Grid point 233 (112/196) ======================= q-point: (-0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 4.202 12.878 1.000) 13.583 1.622 ( 13.816 9.810 7.710) 18.616 1.885 ( -6.398 -0.481 3.345) 7.236 1.973 ( -10.646 0.585 0.652) 10.682 2.139 ( -4.588 5.172 3.391) 7.700 2.368 ( 4.508 3.735 -12.690) 13.975 2.618 ( 4.550 -0.899 1.666) 4.928 2.965 ( -4.877 -1.976 -4.938) 7.216 3.574 ( 1.059 1.330 8.432) 8.602 3.832 ( -5.571 -2.296 14.651) 15.841 4.275 ( 3.635 1.001 -8.114) 8.947 4.331 ( -2.029 -0.779 4.674) 5.154 4.687 ( -3.645 11.551 6.797) 13.889 5.321 ( 3.937 -10.441 -8.155) 13.821 5.585 ( 0.639 -1.938 -3.718) 4.241 5.805 ( 2.561 -2.591 -7.334) 8.189 5.899 ( 0.256 0.204 1.841) 1.870 6.560 ( 1.798 9.841 -6.554) 11.960 7.215 ( -1.600 3.312 -0.572) 3.722 7.396 ( 1.911 -6.609 -5.307) 8.690 8.092 ( -1.906 6.952 11.907) 13.919 8.701 ( 0.695 -1.530 -5.916) 6.150 8.803 ( -3.589 -5.622 10.480) 12.422 9.045 ( -1.408 -6.834 5.496) 8.882 9.402 ( 1.760 -1.410 -7.522) 7.853 9.510 ( 3.656 -3.962 -6.186) 8.205 10.976 ( -1.490 4.898 4.255) 6.657 11.210 ( 1.254 6.597 -2.574) 7.191 11.551 ( -4.932 -0.861 14.177) 15.035 12.484 ( -0.386 -1.712 1.740) 2.471 12.581 ( 4.122 0.633 -4.731) 6.307 12.688 ( 2.898 -0.335 -13.234) 13.552 13.060 ( -0.747 -0.650 5.938) 6.020 13.286 ( -1.591 0.617 -0.710) 1.848 14.508 ( -5.259 1.661 10.862) 12.182 14.985 ( 0.680 0.586 -4.339) 4.431 15.139 ( 0.448 0.182 -1.157) 1.254 15.345 ( 3.785 0.019 -5.261) 6.481 16.451 ( 6.226 -2.896 6.548) 9.488 17.090 ( -5.937 6.262 -9.974) 13.188 20.977 ( -0.909 -1.240 6.215) 6.403 21.144 ( -5.256 -6.231 11.729) 14.284 21.443 ( 1.613 0.897 -4.778) 5.122 22.031 ( 6.414 -8.459 -12.283) 16.235 22.949 ( -0.617 0.101 3.764) 3.816 23.232 ( -0.238 1.319 -2.020) 2.424 23.810 ( -1.085 -1.891 5.857) 6.250 24.088 ( -0.985 -0.055 -3.095) 3.248 ======================= Grid point 234 (113/196) ======================= q-point: (-0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 6.565 9.721 6.251) 13.292 1.491 ( 5.050 16.205 9.886) 19.642 1.778 ( -4.346 8.791 8.985) 13.300 1.872 ( -6.331 -1.111 -8.126) 10.360 2.069 ( -1.647 1.861 2.965) 3.868 2.287 ( 1.544 2.685 -18.680) 18.935 2.695 ( 1.279 -3.727 3.058) 4.988 3.013 ( -0.044 -5.792 -1.939) 6.108 3.566 ( 2.484 3.676 6.827) 8.142 3.873 ( -4.893 -3.061 13.135) 14.347 4.260 ( 2.659 0.679 -8.797) 9.215 4.340 ( -0.377 0.377 3.449) 3.490 4.469 ( -4.919 10.505 9.119) 14.755 5.485 ( 5.024 -5.452 -11.800) 13.936 5.618 ( -0.473 -3.557 -2.261) 4.242 5.890 ( 2.470 -5.192 -2.205) 6.158 5.910 ( -0.000 -0.960 1.139) 1.490 6.335 ( -0.530 13.866 0.011) 13.877 7.139 ( -2.950 3.163 -1.856) 4.707 7.507 ( 3.828 -5.402 -10.767) 12.640 7.980 ( -1.192 7.227 12.453) 14.448 8.699 ( 0.728 0.007 -8.283) 8.315 8.902 ( -4.458 -5.679 10.405) 12.665 9.224 ( -1.152 -12.384 5.589) 13.635 9.454 ( 2.689 -4.476 -5.464) 7.558 9.605 ( 2.753 -5.304 -6.461) 8.801 10.845 ( -2.453 9.013 3.506) 9.977 11.055 ( 1.919 11.645 -1.981) 11.967 11.555 ( -5.053 -0.339 13.191) 14.130 12.510 ( 1.531 -0.023 -3.002) 3.370 12.598 ( 4.534 0.068 -4.440) 6.346 12.683 ( 1.221 -0.419 -8.040) 8.143 13.086 ( -0.695 -1.463 4.474) 4.758 13.259 ( -1.017 0.574 -1.030) 1.558 14.444 ( -7.256 2.726 11.234) 13.649 15.007 ( 2.722 -2.146 -4.419) 5.616 15.136 ( 0.490 0.021 -0.477) 0.684 15.362 ( 4.945 0.433 -5.817) 7.647 16.568 ( 3.878 -3.177 4.645) 6.834 16.919 ( -1.983 5.756 -7.344) 9.540 21.013 ( -1.322 -2.315 4.840) 5.526 21.291 ( -8.202 -12.599 15.894) 21.878 21.413 ( 0.215 1.976 -2.888) 3.506 22.254 ( 7.607 -12.396 -8.359) 16.775 22.973 ( -0.385 -2.348 2.234) 3.264 23.193 ( -0.411 2.016 -1.860) 2.774 23.833 ( -3.347 -1.285 3.930) 5.320 24.055 ( -0.807 2.358 -2.554) 3.569 ======================= Grid point 238 (114/196) ======================= q-point: ( 0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 10.623 -0.000 10.020) 14.602 1.391 ( 2.420 -0.000 17.707) 17.872 1.462 ( 3.613 -0.000 6.068) 7.062 1.951 ( 4.412 -0.000 -6.518) 7.871 1.966 ( -2.679 0.000 -15.156) 15.391 2.125 ( 4.673 -0.000 -9.459) 10.550 2.946 ( 5.984 -0.000 1.148) 6.093 3.091 ( -5.763 0.000 12.960) 14.184 3.730 ( 8.102 -0.000 0.199) 8.104 3.926 ( -4.642 0.000 13.462) 14.240 4.162 ( -5.977 0.000 -1.128) 6.082 4.173 ( -1.582 0.000 5.892) 6.101 4.303 ( 2.752 -0.000 -8.857) 9.274 5.626 ( -2.369 0.000 6.318) 6.747 5.644 ( 3.134 -0.000 -7.755) 8.364 5.849 ( -0.375 0.000 3.524) 3.544 5.963 ( -3.453 0.000 4.991) 6.069 6.017 ( -1.076 0.000 -2.941) 3.131 6.898 ( -0.444 0.000 -0.402) 0.599 7.660 ( 5.114 -0.000 -12.901) 13.877 7.990 ( 1.579 -0.000 6.431) 6.622 8.707 ( 6.199 -0.000 -14.236) 15.527 8.881 ( -8.537 0.000 8.018) 11.712 9.669 ( 0.095 -0.000 -10.322) 10.322 9.806 ( 0.069 -0.000 1.106) 1.108 9.941 ( -0.930 0.000 -1.544) 1.802 10.324 ( 0.067 -0.000 5.003) 5.004 10.371 ( -2.988 0.000 2.885) 4.154 11.495 ( -5.331 0.000 9.126) 10.569 12.291 ( -0.777 0.000 -13.168) 13.191 12.568 ( -0.451 0.000 0.559) 0.718 12.757 ( 2.099 -0.000 0.633) 2.193 13.312 ( 4.110 -0.000 -3.651) 5.498 13.334 ( 1.552 -0.000 -0.578) 1.656 14.349 ( -0.116 0.000 15.523) 15.524 15.036 ( 0.416 -0.000 -1.334) 1.397 15.285 ( 1.784 -0.000 -0.725) 1.925 15.526 ( 4.743 -0.000 -9.434) 10.559 16.414 ( -2.815 0.000 3.580) 4.554 17.367 ( 13.069 -0.000 -7.465) 15.051 21.105 ( -1.935 0.000 -2.240) 2.960 21.219 ( -0.107 0.000 2.718) 2.720 21.388 ( -19.845 0.000 22.615) 30.087 22.989 ( 3.563 -0.000 1.785) 3.985 23.105 ( -0.485 0.000 -0.444) 0.657 23.211 ( 3.301 -0.000 3.437) 4.766 23.538 ( -7.825 0.000 -6.355) 10.081 23.702 ( -3.413 0.000 1.352) 3.671 ======================= Grid point 239 (115/196) ======================= q-point: ( 0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 3.434 1.404 8.858) 9.604 1.510 ( 7.441 0.470 9.606) 12.160 1.587 ( -0.995 -10.526 8.633) 13.650 1.889 ( 0.242 1.986 -11.980) 12.146 2.020 ( 5.226 -4.554 -4.787) 8.424 2.101 ( 5.031 4.254 -9.182) 11.301 2.955 ( 3.840 4.271 4.488) 7.289 3.126 ( -0.843 -3.163 11.523) 11.979 3.770 ( 4.018 1.541 -1.866) 4.691 3.918 ( -4.456 0.960 12.515) 13.319 4.124 ( -6.043 -1.869 -0.354) 6.335 4.197 ( -1.405 -2.259 5.984) 6.549 4.301 ( 2.875 -0.173 -7.742) 8.261 5.590 ( -0.633 2.660 2.228) 3.527 5.681 ( 3.125 -1.815 -8.205) 8.966 5.880 ( -1.812 -2.324 6.765) 7.379 5.951 ( -2.036 -1.150 3.327) 4.067 6.010 ( -1.308 -0.721 -1.397) 2.045 6.911 ( 0.419 -1.631 0.321) 1.714 7.665 ( 5.489 0.637 -12.647) 13.802 8.023 ( 0.377 -0.988 5.406) 5.509 8.702 ( 4.469 1.563 -14.215) 14.982 8.817 ( -6.569 2.391 9.616) 11.888 9.631 ( 0.238 1.435 -10.399) 10.500 9.738 ( 0.552 6.801 0.938) 6.887 9.762 ( -2.634 13.757 0.522) 14.016 10.430 ( -0.157 -9.092 4.290) 10.055 10.535 ( -1.875 -15.473 0.868) 15.611 11.478 ( -5.061 -0.293 9.517) 10.783 12.290 ( -0.432 -4.218 -13.011) 13.684 12.563 ( -0.121 0.562 0.887) 1.057 12.769 ( 1.721 0.686 0.561) 1.935 13.284 ( 2.262 4.180 -2.408) 5.328 13.351 ( 1.513 0.025 -1.981) 2.493 14.399 ( 0.585 -0.744 15.565) 15.594 15.041 ( 0.671 -0.515 -1.105) 1.392 15.296 ( 1.188 -0.231 -1.380) 1.835 15.509 ( 3.427 3.062 -8.974) 10.082 16.391 ( -0.093 2.568 6.059) 6.582 17.434 ( 8.897 0.552 -8.393) 12.244 21.059 ( -1.511 2.515 0.443) 2.967 21.228 ( -7.303 -0.243 1.660) 7.493 21.291 ( -7.061 1.382 21.591) 22.758 22.896 ( 0.450 11.708 -3.966) 12.370 23.124 ( 0.201 -2.044 0.278) 2.072 23.207 ( 2.138 3.815 2.646) 5.112 23.477 ( -3.629 -2.025 -2.375) 4.786 23.761 ( -3.890 -7.682 -0.138) 8.612 ======================= Grid point 240 (116/196) ======================= q-point: ( 0.50 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 1.573 -3.395 5.075) 6.305 1.525 ( 2.843 2.744 3.548) 5.310 1.815 ( -0.283 -11.156 10.422) 15.269 1.867 ( 3.623 -0.074 -7.275) 8.127 2.025 ( 3.625 5.010 -2.304) 6.599 2.161 ( 7.501 -6.314 -8.391) 12.905 2.903 ( 0.945 5.190 6.529) 8.394 3.212 ( 2.452 -1.574 10.269) 10.674 3.727 ( -1.477 3.189 -6.518) 7.405 3.868 ( -5.439 3.374 12.624) 14.154 4.136 ( -3.124 -3.857 0.400) 4.980 4.254 ( -0.324 -3.257 0.911) 3.397 4.334 ( 1.420 -3.182 0.657) 3.546 5.542 ( 0.011 2.770 0.064) 2.771 5.673 ( 3.241 3.313 -11.937) 12.805 5.896 ( -2.012 0.577 6.225) 6.567 5.994 ( 1.125 -0.089 -4.822) 4.952 6.056 ( -2.837 -9.522 7.014) 12.162 6.969 ( 1.250 -3.953 1.159) 4.304 7.657 ( 5.834 2.215 -11.977) 13.505 8.060 ( -0.831 -1.956 4.721) 5.177 8.650 ( -0.336 2.486 -7.881) 8.270 8.757 ( -2.009 2.706 7.311) 8.051 9.484 ( -4.230 12.825 1.297) 13.567 9.584 ( 1.588 3.162 -8.810) 9.494 9.618 ( 1.097 7.163 -0.054) 7.247 10.622 ( -0.582 -11.142 3.792) 11.784 10.804 ( -0.999 -15.520 -1.126) 15.593 11.474 ( -4.664 -0.812 10.924) 11.906 12.357 ( 0.747 -6.755 -13.185) 14.833 12.549 ( -0.024 1.307 1.087) 1.700 12.762 ( 1.173 1.639 0.190) 2.024 13.204 ( 0.736 5.525 -0.779) 5.628 13.346 ( 0.470 0.738 -1.745) 1.952 14.459 ( 0.499 -0.924 14.628) 14.665 15.060 ( 0.924 -1.102 -1.196) 1.870 15.305 ( 0.688 -0.498 -2.453) 2.596 15.429 ( 2.211 6.029 -7.917) 10.194 16.362 ( 2.592 3.626 8.258) 9.384 17.446 ( 3.543 1.413 -9.423) 10.166 21.007 ( -1.558 2.274 3.073) 4.128 21.135 ( -8.599 3.478 15.397) 17.975 21.323 ( 0.636 -2.201 2.292) 3.241 22.610 ( -0.255 17.010 -10.947) 20.229 23.146 ( 1.784 3.385 2.545) 4.595 23.179 ( -0.550 -2.134 -0.373) 2.235 23.524 ( -0.168 -4.091 3.249) 5.227 23.867 ( -3.596 -7.643 -1.252) 8.539 ======================= Grid point 241 (117/196) ======================= q-point: (-0.40 -0.70 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -3.677 -2.299 2.808) 5.167 1.562 ( 8.590 -3.055 2.616) 9.485 1.838 ( 3.486 4.806 -3.986) 7.152 1.945 ( 0.391 -0.707 4.425) 4.498 2.081 ( 0.826 -8.201 6.067) 10.235 2.303 ( 6.932 -5.058 -8.625) 12.167 2.825 ( -0.275 5.804 5.890) 8.274 3.232 ( -1.137 3.838 6.457) 7.597 3.628 ( -2.442 2.798 -4.197) 5.604 3.806 ( -5.364 2.045 13.080) 14.284 4.199 ( -0.366 -4.131 1.410) 4.380 4.290 ( 0.764 -1.611 -7.071) 7.292 4.454 ( -0.921 -8.616 8.870) 12.400 5.492 ( 1.264 3.633 -4.994) 6.304 5.569 ( 1.352 6.444 -6.814) 9.475 5.870 ( -1.736 1.947 3.067) 4.026 5.975 ( 1.383 1.450 -5.933) 6.262 6.267 ( 0.156 -13.187 1.719) 13.299 7.071 ( 1.402 -5.530 1.875) 6.006 7.605 ( 4.837 5.866 -9.742) 12.357 8.106 ( -1.643 -3.012 5.200) 6.230 8.596 ( -1.861 0.730 -1.034) 2.251 8.727 ( -0.333 1.485 4.656) 4.898 9.243 ( -4.018 11.026 3.833) 12.346 9.511 ( 1.813 5.754 -1.360) 6.185 9.523 ( 1.825 2.837 -10.093) 10.642 10.814 ( -0.885 -9.823 3.793) 10.567 11.041 ( -0.177 -12.202 -2.263) 12.412 11.486 ( -4.492 -1.185 12.695) 13.518 12.457 ( 2.309 -5.933 -10.564) 12.334 12.527 ( 0.403 0.784 -1.858) 2.056 12.727 ( 0.403 3.028 -0.952) 3.199 13.116 ( -0.376 4.200 2.161) 4.738 13.327 ( -0.554 0.781 -1.219) 1.550 14.511 ( -0.262 -0.576 13.210) 13.225 15.085 ( 0.800 -1.265 -1.837) 2.370 15.283 ( -3.152 4.185 -5.675) 7.724 15.329 ( 4.987 2.842 -4.141) 7.078 16.361 ( 5.206 2.690 9.970) 11.565 17.390 ( -1.923 2.566 -11.236) 11.685 20.972 ( -2.130 1.136 4.723) 5.304 21.066 ( -4.401 2.396 13.836) 14.715 21.375 ( 1.558 -2.629 -2.560) 3.987 22.283 ( 0.876 15.616 -14.630) 21.416 23.090 ( 0.070 4.334 3.764) 5.741 23.220 ( 1.115 -2.011 -2.198) 3.181 23.617 ( 0.087 -4.573 6.798) 8.194 23.958 ( -2.381 -5.944 -2.403) 6.839 ======================= Grid point 242 (118/196) ======================= q-point: (-0.30 -0.70 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -2.287 3.419 -0.397) 4.132 1.718 ( 9.986 -1.247 2.212) 10.304 1.797 ( -2.040 -2.786 3.183) 4.696 1.956 ( 0.459 1.001 3.851) 4.005 2.208 ( -2.347 -3.647 5.821) 7.259 2.398 ( 6.004 -2.111 -8.783) 10.846 2.733 ( 0.146 5.469 3.658) 6.581 3.086 ( -6.746 7.830 -2.142) 10.555 3.601 ( 1.484 0.711 5.339) 5.586 3.780 ( -5.827 -0.320 13.374) 14.592 4.270 ( 0.656 -2.813 4.063) 4.985 4.292 ( 0.576 -0.487 -8.965) 8.997 4.654 ( -1.115 -11.748 7.626) 14.051 5.343 ( 1.123 10.744 -7.936) 13.405 5.521 ( 1.540 -0.273 -3.318) 3.668 5.823 ( -0.584 2.264 -1.280) 2.665 5.941 ( 1.138 1.732 -4.885) 5.307 6.498 ( 2.689 -11.282 -5.415) 12.800 7.184 ( 0.752 -5.455 1.881) 5.819 7.477 ( 2.280 9.447 -5.123) 10.986 8.162 ( -2.212 -2.823 7.336) 8.166 8.596 ( -1.177 -2.173 0.361) 2.498 8.721 ( -0.723 0.111 5.129) 5.181 9.061 ( -3.155 7.137 4.996) 9.265 9.436 ( 1.441 3.340 -4.921) 6.120 9.476 ( 3.156 1.772 -8.589) 9.321 10.959 ( -1.197 -6.003 4.053) 7.342 11.208 ( 0.606 -6.907 -2.798) 7.477 11.506 ( -4.655 -1.343 14.101) 14.910 12.482 ( -0.009 1.540 3.176) 3.530 12.578 ( 5.060 -4.901 -15.523) 17.047 12.664 ( -0.468 2.946 -2.793) 4.086 13.071 ( -0.561 1.618 5.054) 5.336 13.305 ( -1.357 0.603 -0.839) 1.706 14.540 ( -1.634 0.244 11.866) 11.980 15.087 ( -0.903 1.753 -4.418) 4.838 15.160 ( -0.634 3.561 -2.627) 4.471 15.337 ( 3.592 0.081 -4.394) 5.676 16.408 ( 7.129 0.835 10.571) 12.778 17.269 ( -5.712 3.790 -12.866) 14.578 20.956 ( -2.854 -0.108 5.700) 6.376 21.051 ( -1.838 0.125 10.681) 10.838 21.423 ( 2.052 -1.954 -4.380) 5.216 22.032 ( 2.729 9.180 -15.690) 18.382 23.022 ( -1.213 3.660 3.998) 5.555 23.250 ( 2.099 -0.501 -2.382) 3.214 23.708 ( -1.471 -3.860 8.070) 9.066 24.024 ( -0.519 -3.813 -3.201) 5.006 ======================= Grid point 243 (119/196) ======================= q-point: (-0.20 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 1.911 9.370 -0.400) 9.571 1.755 ( -0.378 -1.125 0.027) 1.187 1.857 ( -10.725 -3.740 1.992) 11.532 1.959 ( 9.633 5.807 8.847) 14.311 2.185 ( -5.320 2.997 3.596) 7.086 2.424 ( 3.778 1.562 -8.428) 9.367 2.672 ( 1.152 2.414 1.058) 2.876 2.921 ( -2.753 3.141 -5.008) 6.521 3.627 ( 2.342 0.650 8.886) 9.212 3.785 ( -6.250 -1.758 14.279) 15.686 4.273 ( -0.592 -0.144 -8.132) 8.154 4.328 ( 1.787 -1.118 4.710) 5.160 4.807 ( -2.208 -0.562 5.851) 6.279 5.201 ( 2.120 0.009 -6.591) 6.924 5.549 ( 1.650 -1.852 -4.496) 5.134 5.789 ( 1.728 0.512 -5.574) 5.858 5.914 ( 0.235 0.961 -1.536) 1.827 6.633 ( 3.530 -1.921 -10.347) 11.100 7.278 ( -0.188 -2.140 0.768) 2.282 7.321 ( 0.608 4.899 -1.203) 5.081 8.181 ( -3.031 1.447 10.014) 10.562 8.643 ( -0.496 -3.704 -2.177) 4.325 8.736 ( -2.065 -1.290 7.584) 7.965 8.986 ( -1.808 0.062 5.431) 5.725 9.393 ( 1.600 1.083 -7.019) 7.280 9.478 ( 3.703 -1.236 -7.578) 8.525 11.015 ( -1.689 -0.367 4.178) 4.522 11.272 ( 1.276 -0.217 -2.671) 2.968 11.527 ( -5.028 -1.241 14.489) 15.386 12.472 ( -0.069 0.102 2.417) 2.420 12.610 ( 1.150 1.321 -1.707) 2.446 12.657 ( 5.088 -2.625 -16.605) 17.564 13.068 ( -0.419 0.199 6.156) 6.173 13.280 ( -1.738 0.537 -0.744) 1.965 14.531 ( -3.799 1.808 10.954) 11.734 15.005 ( -0.586 2.778 -4.354) 5.198 15.141 ( 0.296 0.058 -1.412) 1.444 15.357 ( 3.509 -0.337 -5.089) 6.191 16.493 ( 6.321 -0.621 9.260) 11.229 17.111 ( -5.238 4.579 -12.524) 14.327 20.957 ( -3.111 -1.085 5.968) 6.817 21.077 ( -1.845 -1.530 9.671) 9.964 21.450 ( 2.004 -0.426 -4.942) 5.350 21.949 ( 4.705 -1.234 -15.092) 15.857 22.971 ( -1.600 1.850 4.198) 4.858 23.257 ( 2.328 1.147 -2.160) 3.377 23.764 ( -4.020 -2.663 7.449) 8.874 24.067 ( 1.190 -1.595 -3.178) 3.750 ======================= Grid point 244 (120/196) ======================= q-point: (-0.10 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 5.511 10.013 2.256) 11.651 1.744 ( -8.262 0.410 -5.809) 10.108 1.791 ( -7.878 3.244 2.321) 8.830 1.858 ( 3.548 8.654 8.131) 12.393 2.120 ( 0.332 3.332 4.802) 5.854 2.354 ( 1.548 5.749 -10.580) 12.140 2.672 ( 1.263 -1.057 -0.807) 1.834 2.929 ( 2.946 -3.683 -0.821) 4.787 3.652 ( 2.915 1.577 7.246) 7.967 3.812 ( -6.100 -2.848 14.658) 16.129 4.251 ( 0.187 -0.208 -8.335) 8.340 4.360 ( 1.012 0.264 4.607) 4.724 4.658 ( -3.739 11.978 6.040) 13.926 5.345 ( 3.875 -10.861 -7.777) 13.909 5.569 ( 0.005 -1.040 -3.902) 4.038 5.823 ( 3.903 -3.570 -6.336) 8.253 5.905 ( -0.655 -0.069 1.491) 1.630 6.549 ( 1.142 10.093 -6.786) 12.216 7.185 ( -1.504 4.909 -0.479) 5.157 7.407 ( 2.512 -6.489 -4.841) 8.477 8.114 ( -2.852 5.721 11.068) 12.781 8.680 ( 0.819 -1.064 -5.819) 5.972 8.783 ( -5.302 -4.844 9.717) 12.083 9.059 ( -0.534 -7.359 6.200) 9.638 9.397 ( 1.915 -2.121 -6.121) 6.755 9.533 ( 3.319 -3.661 -7.909) 9.326 10.964 ( -2.305 5.360 3.852) 6.991 11.225 ( 1.824 6.165 -2.279) 6.821 11.538 ( -5.467 -0.638 14.025) 15.066 12.491 ( 0.213 -1.523 0.995) 1.832 12.616 ( 1.325 -1.204 -1.112) 2.107 12.678 ( 5.464 0.615 -15.799) 16.729 13.079 ( -1.070 -0.155 5.298) 5.407 13.258 ( -0.783 0.322 -0.358) 0.919 14.473 ( -5.591 3.259 10.691) 12.497 14.988 ( 2.308 -1.067 -3.444) 4.280 15.137 ( 0.224 0.050 -1.227) 1.248 15.379 ( 3.376 -0.506 -5.673) 6.621 16.551 ( -1.594 -0.717 3.968) 4.336 16.994 ( 3.879 3.709 -7.362) 9.110 20.973 ( -3.154 -1.881 5.681) 6.765 21.129 ( -4.109 -4.368 11.942) 13.363 21.443 ( 1.370 1.323 -4.864) 5.224 22.067 ( 6.072 -10.713 -13.437) 18.226 22.957 ( -1.010 -0.306 4.143) 4.275 23.237 ( 2.147 2.567 -1.937) 3.867 23.774 ( -6.539 -1.614 5.643) 8.787 24.081 ( 1.705 0.715 -2.303) 2.953 ======================= Grid point 249 (121/196) ======================= q-point: ( 0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -9.067 0.000 10.800) 14.102 1.493 ( 2.718 -0.000 8.001) 8.450 1.604 ( 5.066 -0.000 6.774) 8.459 1.898 ( 5.567 -0.000 -11.426) 12.710 2.009 ( 5.994 -0.000 -4.600) 7.556 2.153 ( 4.151 -0.000 -8.545) 9.500 3.081 ( 8.382 -0.000 3.124) 8.946 3.084 ( -4.012 0.000 15.244) 15.763 3.803 ( -0.013 0.000 -3.486) 3.486 3.922 ( -4.758 0.000 14.454) 15.217 4.062 ( -3.658 0.000 -0.294) 3.670 4.187 ( -0.395 0.000 5.506) 5.520 4.300 ( 2.581 -0.000 -8.915) 9.281 5.623 ( -2.073 0.000 6.203) 6.541 5.657 ( 3.122 -0.000 -6.987) 7.653 5.863 ( -0.397 0.000 3.702) 3.723 5.938 ( -2.773 0.000 5.847) 6.471 5.989 ( -0.247 0.000 -3.268) 3.278 6.904 ( 0.846 -0.000 0.952) 1.274 7.682 ( 5.870 -0.000 -12.992) 14.256 8.025 ( -1.091 0.000 4.595) 4.723 8.713 ( 2.753 -0.000 -13.511) 13.788 8.821 ( -3.312 0.000 8.335) 8.969 9.620 ( 0.683 -0.000 -10.705) 10.727 9.806 ( -0.423 0.000 -0.249) 0.491 9.900 ( -2.596 0.000 -2.360) 3.509 10.348 ( -1.838 0.000 4.244) 4.625 10.353 ( 0.218 -0.000 4.614) 4.619 11.459 ( -4.573 0.000 8.863) 9.973 12.218 ( 0.270 -0.000 -12.294) 12.297 12.572 ( 0.277 -0.000 1.256) 1.286 12.789 ( 1.383 -0.000 0.333) 1.422 13.340 ( -0.077 0.000 -1.554) 1.556 13.346 ( 2.541 -0.000 -4.784) 5.416 14.441 ( 0.679 -0.000 16.442) 16.456 15.040 ( 0.708 -0.000 -0.714) 1.005 15.292 ( -0.236 0.000 -1.625) 1.642 15.541 ( 3.174 -0.000 -9.234) 9.765 16.447 ( 2.743 -0.000 8.894) 9.307 17.473 ( 5.203 -0.000 -10.820) 12.006 21.073 ( -0.410 0.000 -1.928) 1.971 21.162 ( -8.031 0.000 2.350) 8.368 21.327 ( -3.384 0.000 27.039) 27.250 22.997 ( -2.426 0.000 -0.494) 2.476 23.112 ( 1.221 -0.000 0.250) 1.247 23.254 ( -2.239 0.000 -1.644) 2.778 23.429 ( 0.955 -0.000 -3.243) 3.381 23.648 ( -3.405 0.000 -0.183) 3.409 ======================= Grid point 250 (122/196) ======================= q-point: (-0.50 -0.60 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -8.127 -2.256 7.382) 11.209 1.549 ( -6.365 -2.381 4.678) 8.250 1.671 ( 2.260 -4.751 8.384) 9.898 1.930 ( 10.989 1.149 -7.606) 13.414 2.085 ( 3.812 -2.386 -0.760) 4.561 2.143 ( 7.074 1.287 -11.262) 13.362 3.024 ( -0.203 5.433 10.724) 12.023 3.217 ( 4.543 -3.702 9.171) 10.884 3.739 ( -5.424 2.577 -6.687) 8.987 3.906 ( -5.138 1.788 13.669) 14.712 4.067 ( -0.271 -1.909 1.019) 2.181 4.215 ( 0.321 -1.746 3.481) 3.907 4.307 ( 1.939 -1.175 -5.307) 5.771 5.591 ( -1.013 2.601 3.154) 4.212 5.688 ( 3.473 -1.067 -10.500) 11.111 5.892 ( -1.538 -2.187 8.129) 8.557 5.940 ( -2.330 -1.742 5.896) 6.575 5.985 ( 0.160 -0.437 -3.586) 3.616 6.933 ( 1.475 -1.942 1.616) 2.926 7.696 ( 6.470 0.445 -13.279) 14.778 8.030 ( -2.561 -1.116 4.044) 4.915 8.674 ( 0.326 2.271 -8.810) 9.104 8.807 ( -0.532 1.902 5.694) 6.027 9.582 ( 0.465 2.249 -10.591) 10.837 9.697 ( -3.181 10.440 -0.088) 10.914 9.768 ( 1.183 7.927 -0.103) 8.015 10.439 ( -1.811 -9.042 4.387) 10.212 10.525 ( 0.296 -14.443 1.291) 14.503 11.452 ( -3.966 -0.570 9.448) 10.262 12.232 ( 1.592 -4.289 -12.412) 13.228 12.573 ( 0.356 0.738 1.829) 2.004 12.792 ( 0.885 0.790 0.040) 1.187 13.290 ( 0.041 3.993 -2.570) 4.749 13.352 ( 0.373 0.250 -3.340) 3.370 14.492 ( 0.228 -0.392 16.211) 16.217 15.050 ( 0.834 -0.555 -0.590) 1.162 15.286 ( -1.202 -0.468 -2.391) 2.717 15.512 ( 2.645 3.235 -8.884) 9.818 16.480 ( 4.979 2.705 10.912) 12.296 17.457 ( 0.356 1.141 -12.326) 12.383 21.035 ( -2.188 2.417 0.637) 3.322 21.132 ( -4.535 -1.217 5.402) 7.158 21.360 ( 0.535 2.501 21.602) 21.753 22.844 ( -3.268 12.720 -6.943) 14.855 23.127 ( -0.051 -1.841 -0.222) 1.855 23.212 ( -1.351 1.391 -0.105) 1.942 23.479 ( 3.488 -2.629 0.955) 4.471 23.694 ( -3.663 -7.316 -1.389) 8.299 ======================= Grid point 251 (123/196) ======================= q-point: (-0.40 -0.60 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -7.934 -5.545 4.023) 10.483 1.537 ( -4.664 -2.221 5.237) 7.356 1.818 ( -3.677 -8.833 4.260) 10.473 1.981 ( 10.282 3.439 -3.406) 11.364 2.080 ( 3.997 1.303 1.785) 4.567 2.245 ( 8.242 -5.314 -10.575) 14.422 2.942 ( -1.313 6.155 9.204) 11.151 3.298 ( 0.437 1.457 9.013) 9.140 3.629 ( -3.769 1.602 -7.276) 8.349 3.849 ( -5.128 3.449 13.116) 14.499 4.121 ( 0.202 -3.845 1.921) 4.303 4.255 ( 1.829 -1.633 -5.666) 6.174 4.360 ( -0.242 -4.300 5.459) 6.953 5.543 ( -0.038 2.815 0.456) 2.852 5.660 ( 2.987 3.850 -12.344) 13.271 5.899 ( -1.490 1.583 5.771) 6.167 5.980 ( 0.361 0.116 -5.234) 5.248 6.059 ( -1.376 -10.593 7.333) 12.957 7.006 ( 2.061 -4.018 2.211) 5.028 7.693 ( 6.299 2.425 -13.068) 14.708 8.046 ( -3.626 -2.540 4.227) 6.121 8.609 ( -0.373 2.528 -4.257) 4.965 8.778 ( 0.143 2.598 5.201) 5.815 9.418 ( -3.932 11.357 0.597) 12.034 9.564 ( 1.751 3.296 -8.443) 9.231 9.644 ( 1.960 7.611 -0.788) 7.899 10.622 ( -1.993 -11.486 3.977) 12.318 10.795 ( 0.775 -14.869 -1.012) 14.924 11.462 ( -3.623 -1.066 10.973) 11.604 12.323 ( 3.504 -7.150 -13.207) 15.422 12.560 ( 0.254 1.666 2.418) 2.947 12.772 ( 0.147 2.000 -0.605) 2.094 13.198 ( -0.825 5.025 -0.532) 5.120 13.332 ( -0.665 0.839 -2.515) 2.733 14.538 ( -0.611 -0.248 15.105) 15.120 15.069 ( 0.857 -0.940 -0.989) 1.611 15.269 ( -2.544 0.138 -3.746) 4.531 15.435 ( 3.052 5.024 -7.616) 9.621 16.500 ( 6.864 3.620 12.297) 14.541 17.373 ( -4.781 2.327 -13.505) 14.514 20.978 ( -3.576 1.616 3.262) 5.103 21.133 ( -0.547 1.854 11.330) 11.494 21.368 ( 1.454 1.353 8.864) 9.084 22.529 ( -2.016 16.170 -12.298) 20.415 23.160 ( -0.993 1.775 1.009) 2.271 23.188 ( 1.774 -1.692 0.108) 2.454 23.564 ( 1.877 -3.551 4.566) 6.081 23.806 ( -2.272 -8.277 -2.423) 8.918 ======================= Grid point 252 (124/196) ======================= q-point: (-0.30 -0.60 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -8.293 -3.671 0.866) 9.110 1.607 ( -5.866 -7.885 5.049) 11.048 1.914 ( 6.965 2.989 -5.179) 9.179 1.938 ( -3.433 -1.393 6.383) 7.380 2.169 ( 5.527 -2.914 5.480) 8.311 2.367 ( 6.446 -4.312 -10.283) 12.879 2.832 ( -3.415 6.313 5.983) 9.344 3.186 ( -5.292 8.540 1.215) 10.120 3.626 ( 2.519 -1.364 1.483) 3.226 3.785 ( -5.517 2.481 14.021) 15.270 4.207 ( 0.050 -4.438 1.747) 4.770 4.273 ( 2.598 -1.053 -9.551) 9.954 4.484 ( -1.525 -8.316 9.902) 13.020 5.485 ( 1.618 5.165 -6.826) 8.711 5.561 ( 1.429 4.949 -4.705) 6.976 5.861 ( -1.057 2.577 2.564) 3.785 5.957 ( 0.474 1.043 -6.661) 6.759 6.286 ( 0.864 -13.274 1.802) 13.424 7.109 ( 1.883 -4.786 2.342) 5.651 7.628 ( 4.260 6.632 -10.748) 13.328 8.086 ( -4.216 -4.172 5.613) 8.166 8.573 ( 0.100 0.377 -1.680) 1.725 8.752 ( -0.016 1.882 6.276) 6.552 9.201 ( -3.234 10.063 3.961) 11.288 9.501 ( 1.935 3.462 -8.674) 9.538 9.539 ( 2.483 5.362 -3.561) 6.899 10.811 ( -1.828 -10.181 3.949) 11.072 11.038 ( 1.133 -11.913 -2.220) 12.171 11.484 ( -3.731 -1.175 12.800) 13.385 12.458 ( 5.460 -7.710 -14.604) 17.393 12.532 ( 0.129 2.394 2.821) 3.702 12.717 ( -0.785 3.533 -1.612) 3.962 13.118 ( -0.925 3.158 2.983) 4.441 13.303 ( -1.309 0.851 -1.733) 2.332 14.566 ( -1.750 0.363 13.596) 13.713 15.084 ( 0.417 -0.312 -2.419) 2.475 15.201 ( -3.283 3.263 -4.372) 6.367 15.377 ( 3.737 2.393 -5.745) 7.260 16.536 ( 7.678 2.864 12.549) 14.988 17.236 ( -7.704 2.822 -14.141) 16.349 20.940 ( -3.780 0.432 4.880) 6.188 21.114 ( 0.510 3.554 13.632) 14.097 21.396 ( 1.924 -1.546 -0.939) 2.640 22.215 ( 0.342 13.925 -14.707) 20.256 23.088 ( -1.848 4.298 2.126) 5.139 23.249 ( 3.094 -1.911 -1.561) 3.958 23.648 ( -1.198 -3.567 7.270) 8.186 23.927 ( 0.855 -6.666 -2.752) 7.262 ======================= Grid point 253 (125/196) ======================= q-point: (-0.20 -0.60 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -6.380 -1.550 -1.749) 6.795 1.671 ( -12.340 -5.744 0.138) 13.613 1.826 ( 3.033 6.754 2.522) 7.821 2.053 ( 4.455 -5.808 3.342) 8.047 2.225 ( 1.227 3.076 7.238) 7.960 2.437 ( 3.620 -1.263 -8.070) 8.934 2.703 ( -5.664 4.090 -0.706) 7.022 3.008 ( 0.132 7.392 -0.180) 7.396 3.677 ( 2.718 -0.354 5.764) 6.383 3.751 ( -6.322 0.174 15.594) 16.828 4.239 ( -0.649 -0.702 -6.395) 6.466 4.322 ( 2.795 -2.674 0.152) 3.871 4.673 ( -1.507 -11.127 8.145) 13.872 5.321 ( 1.470 10.493 -8.201) 13.398 5.534 ( 1.969 -0.133 -2.822) 3.444 5.814 ( 0.800 2.226 -2.556) 3.482 5.923 ( -0.266 0.989 -4.477) 4.593 6.519 ( 3.102 -10.769 -5.387) 12.435 7.207 ( 0.936 -4.299 1.816) 4.760 7.479 ( 1.316 9.886 -5.726) 11.500 8.144 ( -4.623 -4.041 7.735) 9.876 8.585 ( 0.368 -1.735 -1.094) 2.084 8.746 ( -0.426 0.831 7.351) 7.410 9.042 ( -2.226 6.307 5.019) 8.362 9.431 ( 1.936 3.478 -6.657) 7.756 9.487 ( 2.871 1.532 -7.510) 8.184 10.954 ( -1.783 -6.087 4.034) 7.517 11.210 ( 1.347 -6.925 -2.687) 7.549 11.506 ( -4.185 -0.990 14.220) 14.856 12.498 ( -0.029 1.921 2.076) 2.829 12.586 ( 5.122 -4.885 -15.081) 16.659 12.647 ( 0.563 2.248 -2.057) 3.099 13.089 ( -0.746 0.952 5.291) 5.427 13.274 ( -1.380 0.642 -0.942) 1.790 14.563 ( -3.281 1.575 12.084) 12.620 15.042 ( -1.170 3.301 -4.824) 5.961 15.140 ( -0.347 0.416 -1.622) 1.710 15.370 ( 3.022 0.369 -5.446) 6.239 16.577 ( 4.052 2.195 9.569) 10.621 17.099 ( -4.164 2.184 -12.056) 12.940 20.926 ( -3.681 -0.637 5.666) 6.787 21.100 ( 0.045 1.823 11.064) 11.213 21.436 ( 2.093 -1.534 -4.076) 4.832 21.995 ( 2.814 7.242 -15.438) 17.283 23.007 ( -2.580 3.204 2.741) 4.943 23.289 ( 3.468 -0.043 -2.336) 4.182 23.701 ( -4.121 -2.596 7.856) 9.244 24.030 ( 2.985 -3.826 -2.359) 5.396 ======================= Grid point 254 (126/196) ======================= q-point: (-0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -1.220 2.279 -2.159) 3.368 1.613 ( -13.182 -2.049 -4.947) 14.228 1.768 ( 0.003 2.444 1.886) 3.087 2.099 ( -4.030 10.337 7.341) 13.304 2.178 ( 6.279 -0.285 5.009) 8.037 2.416 ( -0.456 2.793 -5.163) 5.888 2.642 ( -1.159 -1.617 -5.640) 5.980 2.954 ( 5.376 1.956 2.168) 6.118 3.709 ( 1.520 0.307 5.310) 5.531 3.754 ( -6.484 -1.671 17.058) 18.325 4.224 ( -0.100 -0.362 -7.376) 7.386 4.377 ( 1.244 -0.871 3.537) 3.849 4.798 ( -2.373 1.708 5.585) 6.304 5.206 ( 2.449 -2.087 -6.260) 7.038 5.550 ( 1.368 -0.531 -4.546) 4.777 5.801 ( 3.536 -0.607 -6.353) 7.296 5.900 ( -1.136 0.176 -0.734) 1.364 6.638 ( 3.504 -0.393 -10.336) 10.920 7.277 ( -0.316 1.849 0.653) 1.986 7.323 ( 0.426 1.322 -1.404) 1.975 8.166 ( -4.527 0.208 9.099) 10.165 8.629 ( 0.049 -3.069 -1.109) 3.263 8.744 ( -1.864 0.671 7.398) 7.659 8.991 ( -1.141 -1.020 5.546) 5.753 9.388 ( 2.039 1.132 -6.332) 6.747 9.490 ( 2.798 -1.547 -8.582) 9.159 11.005 ( -1.922 -0.102 3.934) 4.380 11.282 ( 1.444 -0.556 -2.542) 2.976 11.521 ( -4.818 -0.548 14.611) 15.394 12.482 ( -0.025 0.224 1.618) 1.633 12.591 ( -0.410 -0.582 -4.446) 4.503 12.687 ( 6.628 -1.432 -12.928) 14.599 13.084 ( -1.661 0.419 5.011) 5.296 13.258 ( -0.186 0.196 0.263) 0.377 14.517 ( -4.631 3.159 10.923) 12.277 14.990 ( 1.304 0.541 -3.281) 3.572 15.135 ( 0.193 -0.014 -1.788) 1.798 15.378 ( 2.202 -0.387 -5.578) 6.009 16.544 ( -5.730 2.535 1.713) 6.496 17.063 ( 7.018 0.544 -4.921) 8.588 20.929 ( -3.532 -1.371 5.889) 7.002 21.104 ( -1.474 0.198 9.600) 9.715 21.454 ( 1.635 0.004 -4.950) 5.213 21.947 ( 4.675 -3.008 -15.250) 16.232 22.958 ( -2.166 0.825 3.550) 4.240 23.294 ( 3.085 1.667 -2.791) 4.482 23.713 ( -5.788 -1.214 7.466) 9.524 24.092 ( 2.877 -0.982 -1.866) 3.567 ======================= Grid point 260 (127/196) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -12.684 0.000 8.322) 15.171 1.460 ( -8.794 0.000 6.089) 10.696 1.658 ( -2.607 0.000 5.385) 5.983 2.026 ( 12.715 -0.000 -7.588) 14.807 2.092 ( 6.068 -0.000 -2.808) 6.686 2.182 ( 5.064 -0.000 -8.644) 10.018 3.114 ( -2.521 0.000 16.175) 16.371 3.236 ( 7.321 -0.000 5.518) 9.168 3.679 ( -9.523 0.000 -6.972) 11.803 3.918 ( -4.808 0.000 14.178) 14.971 4.067 ( 2.485 -0.000 0.797) 2.610 4.214 ( 0.933 -0.000 2.677) 2.835 4.295 ( 1.365 -0.000 -5.536) 5.702 5.619 ( -2.348 0.000 6.293) 6.717 5.670 ( 3.658 -0.000 -9.881) 10.536 5.870 ( -1.716 0.000 5.388) 5.655 5.936 ( -1.393 0.000 6.510) 6.658 5.977 ( 0.942 -0.000 -3.388) 3.516 6.933 ( 1.538 -0.000 2.135) 2.632 7.718 ( 6.933 -0.000 -14.257) 15.853 8.002 ( -4.167 0.000 3.710) 5.580 8.677 ( 0.501 -0.000 -7.740) 7.756 8.837 ( 0.295 -0.000 4.363) 4.373 9.580 ( 1.461 -0.000 -11.528) 11.620 9.798 ( 0.036 -0.000 -0.241) 0.244 9.841 ( -2.670 0.000 -2.470) 3.637 10.355 ( -0.418 0.000 4.579) 4.598 10.376 ( -0.182 0.000 4.132) 4.136 11.442 ( -3.102 0.000 9.006) 9.525 12.178 ( 2.726 -0.000 -12.087) 12.391 12.589 ( 0.593 -0.000 2.335) 2.410 12.804 ( 0.496 -0.000 -0.417) 0.648 13.319 ( -1.137 0.000 -2.043) 2.338 13.343 ( 0.219 -0.000 -5.125) 5.130 14.531 ( -0.482 0.000 16.988) 16.995 15.051 ( 0.878 -0.000 -0.248) 0.912 15.261 ( -2.070 0.000 -2.509) 3.253 15.536 ( 2.047 -0.000 -9.436) 9.655 16.581 ( 6.103 -0.000 12.384) 13.807 17.421 ( -3.451 0.000 -14.620) 15.022 21.064 ( -5.177 0.000 3.262) 6.119 21.075 ( 1.804 -0.000 -1.403) 2.285 21.484 ( 3.820 -0.000 31.160) 31.393 22.906 ( -6.929 0.000 -5.036) 8.566 23.143 ( 2.201 -0.000 0.433) 2.243 23.163 ( -3.637 0.000 -4.613) 5.874 23.501 ( 5.858 -0.000 0.632) 5.892 23.587 ( -3.545 0.000 -1.373) 3.802 ======================= Grid point 261 (128/196) ======================= q-point: (-0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -12.569 -4.435 6.396) 14.783 1.434 ( -10.629 -3.565 7.088) 13.263 1.668 ( -6.134 -4.405 4.666) 8.877 2.097 ( 11.361 0.783 -6.707) 13.216 2.134 ( 2.868 0.985 0.035) 3.032 2.215 ( 8.017 -2.186 -11.135) 13.894 3.068 ( -1.877 6.202 12.617) 14.184 3.336 ( 2.731 -1.246 9.264) 9.738 3.576 ( -7.489 -0.135 -7.499) 10.599 3.896 ( -4.575 2.224 13.315) 14.253 4.096 ( 2.126 -0.828 1.255) 2.604 4.237 ( 2.357 -0.906 -4.608) 5.254 4.311 ( -0.441 -2.240 2.574) 3.441 5.591 ( -1.074 2.368 3.604) 4.444 5.684 ( 3.615 -0.151 -13.164) 13.652 5.907 ( -2.221 -4.334 7.815) 9.208 5.935 ( -1.877 0.568 6.578) 6.864 5.981 ( 1.442 -0.414 -3.318) 3.641 6.973 ( 2.007 -2.317 2.633) 4.041 7.734 ( 6.885 0.510 -15.174) 16.671 7.984 ( -5.321 -1.400 3.906) 6.747 8.643 ( 0.861 2.180 -5.944) 6.389 8.834 ( 0.287 1.795 4.908) 5.234 9.533 ( -0.018 4.107 -9.934) 10.750 9.662 ( -0.742 9.004 -0.166) 9.036 9.789 ( 1.980 6.044 -1.380) 6.508 10.421 ( -2.894 -8.775 4.558) 10.303 10.551 ( 1.623 -13.360 1.247) 13.516 11.449 ( -2.512 -0.631 9.732) 10.071 12.215 ( 4.263 -4.472 -12.541) 13.980 12.594 ( 0.629 0.871 2.904) 3.097 12.796 ( -0.124 0.971 -1.042) 1.430 13.264 ( -1.424 3.675 -2.133) 4.481 13.329 ( -0.869 0.250 -3.523) 3.637 14.569 ( -1.452 -0.043 16.722) 16.785 15.062 ( 0.948 -0.459 -0.350) 1.110 15.237 ( -2.580 -0.212 -3.232) 4.141 15.501 ( 1.604 2.636 -9.317) 9.815 16.646 ( 6.747 2.309 13.010) 14.837 17.320 ( -7.737 1.630 -15.692) 17.572 20.998 ( -2.448 2.711 2.345) 4.341 21.136 ( 2.083 -3.125 0.757) 3.831 21.535 ( 4.751 7.789 29.227) 30.617 22.722 ( -5.781 11.298 -9.737) 15.996 23.122 ( 0.098 -2.444 -0.514) 2.499 23.201 ( 0.245 -0.480 0.012) 0.539 23.555 ( 3.373 -1.231 1.743) 3.991 23.634 ( -1.578 -7.633 -2.193) 8.097 ======================= Grid point 262 (129/196) ======================= q-point: (-0.30 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -11.816 -6.508 2.640) 13.746 1.437 ( -11.101 -4.981 6.473) 13.782 1.749 ( -6.807 -9.518 4.163) 12.420 2.084 ( 4.790 5.564 -1.607) 7.516 2.189 ( 6.770 -2.007 -0.951) 7.125 2.311 ( 6.667 -4.382 -11.857) 14.291 2.942 ( -4.851 8.054 8.409) 12.614 3.285 ( -4.636 6.342 3.456) 8.583 3.592 ( 0.632 -4.218 0.588) 4.305 3.841 ( -3.722 3.603 13.170) 14.152 4.148 ( 1.435 -3.027 1.989) 3.896 4.252 ( 2.911 -0.775 -10.561) 10.983 4.382 ( -1.807 -4.942 9.623) 10.968 5.547 ( 0.570 2.850 -0.493) 2.947 5.645 ( 2.817 3.794 -11.655) 12.577 5.906 ( -1.431 2.330 5.955) 6.553 5.956 ( 0.460 0.253 -6.152) 6.174 6.077 ( -0.992 -10.699 6.327) 12.469 7.057 ( 2.398 -3.996 2.848) 5.462 7.719 ( 5.432 3.015 -15.070) 16.300 7.989 ( -6.027 -3.295 4.836) 8.401 8.599 ( 1.800 2.159 -3.777) 4.708 8.811 ( 0.076 2.499 6.710) 7.160 9.367 ( -2.404 10.098 0.057) 10.380 9.558 ( 2.486 3.980 -7.248) 8.635 9.673 ( 2.305 7.931 -1.815) 8.456 10.603 ( -2.546 -12.151 4.103) 13.076 10.813 ( 1.754 -14.004 -0.979) 14.148 11.471 ( -2.467 -0.966 11.297) 11.604 12.330 ( 5.784 -7.353 -13.833) 16.699 12.583 ( 0.622 1.871 3.403) 3.933 12.758 ( -1.107 2.455 -1.891) 3.291 13.177 ( -1.594 3.950 0.693) 4.316 13.303 ( -1.168 0.791 -2.369) 2.757 14.592 ( -2.608 0.348 15.576) 15.797 15.078 ( 0.930 -0.489 -1.225) 1.614 15.200 ( -2.916 1.068 -4.177) 5.204 15.435 ( 1.595 3.168 -8.262) 8.991 16.684 ( 6.254 3.279 12.438) 14.303 17.168 ( -9.835 1.979 -14.770) 17.855 20.946 ( -2.116 1.897 3.633) 4.613 21.204 ( 3.263 -0.417 5.018) 6.000 21.466 ( 1.915 8.398 17.487) 19.493 22.424 ( -2.554 14.115 -12.478) 19.012 23.153 ( -0.350 3.445 0.245) 3.471 23.214 ( 1.491 -3.834 -0.071) 4.114 23.609 ( 0.048 -2.284 3.961) 4.572 23.790 ( 2.479 -9.406 -1.674) 9.870 ======================= Grid point 263 (130/196) ======================= q-point: (-0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -10.705 -5.260 -0.545) 11.940 1.452 ( -13.531 -6.521 0.430) 15.026 1.899 ( -4.150 -9.196 7.430) 12.530 2.014 ( 6.014 5.684 -0.835) 8.317 2.274 ( 3.687 -1.983 1.447) 4.430 2.397 ( 3.533 -3.493 -10.702) 11.799 2.755 ( -7.896 8.250 2.665) 11.727 3.141 ( -0.862 7.049 2.591) 7.560 3.659 ( -2.049 -2.592 3.885) 5.100 3.794 ( -1.818 2.898 14.845) 15.234 4.207 ( 0.903 -1.417 -4.725) 5.015 4.284 ( 3.054 -3.365 -4.132) 6.142 4.507 ( -2.287 -8.260 10.860) 13.835 5.474 ( 2.383 6.730 -9.640) 11.996 5.569 ( 1.680 3.160 -2.033) 4.116 5.862 ( -0.234 2.882 1.731) 3.370 5.925 ( -0.031 1.156 -6.638) 6.738 6.308 ( 0.632 -13.598 1.239) 13.669 7.155 ( 2.055 -3.872 2.246) 4.925 7.627 ( 2.672 7.230 -12.098) 14.345 8.030 ( -6.170 -5.358 6.486) 10.433 8.586 ( 2.840 0.658 -2.163) 3.630 8.790 ( -0.162 2.000 8.264) 8.504 9.179 ( -1.942 9.373 3.637) 10.240 9.494 ( 2.578 3.486 -8.564) 9.599 9.557 ( 1.989 6.039 -3.746) 7.380 10.801 ( -1.713 -10.519 4.020) 11.391 11.050 ( 1.501 -11.451 -2.157) 11.749 11.497 ( -2.911 -0.828 13.097) 13.442 12.471 ( 5.064 -6.344 -14.268) 16.415 12.561 ( 1.547 1.736 1.951) 3.035 12.688 ( -1.278 3.129 -1.991) 3.923 13.118 ( -1.342 2.024 3.711) 4.435 13.275 ( -0.817 0.728 -1.160) 1.595 14.592 ( -3.830 1.153 13.869) 14.434 15.071 ( -0.101 1.864 -4.149) 4.550 15.141 ( -1.458 1.129 -2.492) 3.100 15.389 ( 1.581 1.241 -6.856) 7.145 16.674 ( -0.488 4.448 6.416) 7.822 17.058 ( -3.003 -0.413 -8.538) 9.060 20.916 ( -2.154 0.868 5.053) 5.561 21.202 ( 1.307 5.113 12.889) 13.928 21.424 ( 1.383 0.313 0.892) 1.675 22.148 ( 0.819 11.905 -13.732) 18.193 23.061 ( -2.202 4.799 0.795) 5.339 23.288 ( 2.273 -2.296 -1.716) 3.659 23.653 ( -1.786 -2.065 5.890) 6.493 23.964 ( 4.496 -6.747 -0.947) 8.163 ======================= Grid point 264 (131/196) ======================= q-point: (-0.10 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -7.476 -5.437 -2.963) 9.707 1.433 ( -12.801 -4.526 -5.511) 14.654 1.891 ( 2.063 6.565 5.295) 8.683 2.097 ( 0.676 -5.472 3.056) 6.304 2.298 ( 1.957 3.221 4.853) 6.145 2.417 ( -2.571 0.078 -3.942) 4.707 2.595 ( -3.022 1.585 -6.915) 7.712 3.058 ( 3.066 4.179 3.708) 6.373 3.673 ( -5.711 -1.779 6.039) 8.501 3.785 ( -0.829 1.644 14.909) 15.023 4.204 ( 1.035 -0.050 -7.518) 7.589 4.363 ( 1.465 -2.715 1.530) 3.444 4.689 ( -1.849 -10.572 8.541) 13.716 5.307 ( 2.084 10.056 -8.466) 13.310 5.554 ( 2.147 0.550 -2.765) 3.543 5.822 ( 2.599 1.683 -5.387) 6.213 5.890 ( -1.573 0.553 -1.964) 2.576 6.540 ( 2.824 -10.570 -5.591) 12.287 7.231 ( 0.889 -3.044 1.281) 3.420 7.459 ( 0.221 9.621 -6.321) 11.514 8.098 ( -5.491 -5.168 7.986) 10.983 8.605 ( 2.545 -0.443 -0.642) 2.662 8.777 ( -0.884 1.688 8.151) 8.371 9.037 ( -1.523 5.704 4.653) 7.517 9.433 ( 2.436 3.357 -6.716) 7.893 9.486 ( 1.860 1.826 -7.473) 7.914 10.947 ( -1.430 -5.941 4.067) 7.341 11.219 ( 1.185 -6.843 -2.627) 7.425 11.517 ( -3.608 -0.334 14.424) 14.872 12.502 ( -0.059 1.161 -0.006) 1.163 12.570 ( 0.742 -0.175 -8.432) 8.467 12.673 ( 4.692 -1.948 -7.096) 8.728 13.092 ( -2.151 0.927 4.388) 4.974 13.263 ( 0.466 0.185 0.484) 0.697 14.559 ( -4.660 2.420 11.982) 13.082 15.011 ( 0.354 2.047 -3.982) 4.491 15.131 ( 0.256 -0.176 -1.885) 1.910 15.374 ( 1.118 0.023 -6.122) 6.223 16.553 ( -8.188 4.844 -1.315) 9.604 17.096 ( 6.819 -2.468 -1.350) 7.376 20.906 ( -2.220 -0.135 5.925) 6.329 21.153 ( -0.984 3.583 11.047) 11.656 21.446 ( 1.610 -0.985 -4.125) 4.536 21.968 ( 3.560 5.731 -14.359) 15.865 22.975 ( -2.478 2.681 2.042) 4.183 23.319 ( 1.433 -0.263 -3.160) 3.480 23.681 ( -2.359 -0.921 7.307) 7.734 24.082 ( 3.649 -2.914 -1.031) 4.782 ======================= Grid point 271 (132/196) ======================= q-point: (-0.40 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -15.075 0.000 8.576) 17.344 1.318 ( -12.460 0.000 8.651) 15.169 1.576 ( -10.125 0.000 4.523) 11.090 2.164 ( 8.662 -0.000 -9.491) 12.849 2.165 ( 3.939 -0.000 -1.997) 4.416 2.233 ( 6.612 -0.000 -9.190) 11.321 3.158 ( -2.599 0.000 14.746) 14.973 3.367 ( 3.738 -0.000 7.775) 8.627 3.477 ( -9.355 0.000 -6.613) 11.456 3.915 ( -3.958 0.000 13.404) 13.976 4.114 ( 2.623 -0.000 -0.031) 2.623 4.235 ( 2.971 -0.000 -8.042) 8.573 4.291 ( -1.619 0.000 5.880) 6.099 5.617 ( -1.755 0.000 6.776) 7.000 5.670 ( 3.935 -0.000 -14.257) 14.790 5.861 ( -2.783 0.000 5.595) 6.249 5.953 ( -0.842 0.000 6.321) 6.377 5.984 ( 1.610 -0.000 -2.142) 2.680 6.976 ( 2.054 -0.000 3.042) 3.670 7.752 ( 6.721 -0.000 -16.833) 18.125 7.934 ( -6.304 0.000 4.270) 7.614 8.658 ( 1.609 -0.000 -6.465) 6.662 8.865 ( 0.064 -0.000 5.483) 5.483 9.542 ( 1.318 -0.000 -12.216) 12.287 9.797 ( -1.001 0.000 -1.759) 2.024 9.817 ( 2.175 -0.000 0.970) 2.381 10.372 ( -0.361 0.000 3.736) 3.753 10.391 ( -0.383 0.000 3.601) 3.621 11.451 ( -1.649 0.000 9.460) 9.603 12.181 ( 5.264 -0.000 -12.276) 13.357 12.615 ( 0.821 -0.000 3.080) 3.187 12.799 ( -0.560 0.000 -1.852) 1.935 13.285 ( -1.540 0.000 -1.976) 2.505 13.306 ( -1.458 0.000 -3.920) 4.182 14.597 ( -2.587 0.000 17.475) 17.665 15.066 ( 1.031 -0.000 -0.133) 1.039 15.205 ( -2.629 0.000 -3.221) 4.158 15.506 ( 0.405 -0.000 -10.294) 10.302 16.753 ( 6.014 -0.000 12.714) 14.065 17.215 ( -10.967 0.000 -17.093) 20.309 21.026 ( -1.090 0.000 1.606) 1.940 21.115 ( 3.481 -0.000 -0.876) 3.590 21.788 ( 11.412 -0.000 37.895) 39.576 22.736 ( -8.480 0.000 -8.649) 12.113 23.109 ( -0.965 0.000 -2.652) 2.822 23.183 ( 2.256 -0.000 -0.053) 2.257 23.516 ( -4.027 0.000 -2.199) 4.588 23.601 ( 5.778 -0.000 0.520) 5.801 ======================= Grid point 272 (133/196) ======================= q-point: (-0.30 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -14.817 -5.241 6.834) 17.138 1.278 ( -13.657 -3.791 9.432) 17.025 1.543 ( -11.085 -6.141 5.150) 13.679 2.177 ( 2.495 1.575 -0.668) 3.026 2.202 ( 5.470 -0.732 -8.934) 10.502 2.277 ( 6.951 -1.741 -11.716) 13.734 3.074 ( -5.142 8.370 8.859) 13.228 3.346 ( -4.376 3.691 3.217) 6.567 3.497 ( -1.215 -6.302 2.918) 7.050 3.902 ( -2.671 2.169 13.031) 13.477 4.136 ( 1.972 -0.600 1.073) 2.324 4.238 ( 3.380 -0.385 -12.878) 13.320 4.323 ( -2.483 -2.867 10.725) 11.376 5.598 ( 0.189 2.335 2.045) 3.109 5.670 ( 3.279 0.188 -13.653) 14.043 5.897 ( -2.704 -4.906 5.099) 7.575 5.946 ( -1.322 1.540 6.390) 6.704 5.993 ( 1.449 -0.306 -1.487) 2.099 7.026 ( 2.416 -2.541 3.392) 4.879 7.753 ( 5.570 0.846 -17.813) 18.682 7.904 ( -6.889 -1.543 5.050) 8.680 8.642 ( 2.633 1.562 -5.823) 6.579 8.867 ( -0.144 1.573 7.182) 7.354 9.481 ( 0.016 4.747 -8.992) 10.168 9.669 ( 1.629 7.930 -0.444) 8.108 9.823 ( 3.053 5.811 -1.377) 6.707 10.398 ( -2.741 -8.057 4.690) 9.718 10.582 ( 1.423 -13.338 0.720) 13.433 11.470 ( -1.390 -0.525 10.236) 10.343 12.238 ( 6.349 -4.512 -12.806) 14.989 12.622 ( 0.868 0.931 3.175) 3.421 12.775 ( -1.352 1.240 -2.719) 3.280 13.228 ( -1.822 3.303 -0.900) 3.878 13.294 ( -1.299 -0.119 -2.421) 2.750 14.614 ( -3.950 0.256 17.075) 17.528 15.077 ( 1.125 -0.287 -0.550) 1.285 15.177 ( -2.277 0.047 -3.733) 4.373 15.459 ( -0.680 1.799 -10.417) 10.593 16.809 ( 4.132 2.396 10.889) 11.891 17.062 ( -12.151 0.539 -15.099) 19.388 20.991 ( 0.187 2.976 1.845) 3.506 21.187 ( 3.785 -3.786 -0.829) 5.417 21.819 ( 9.216 17.005 34.048) 39.158 22.570 ( -5.704 8.624 -10.085) 14.443 23.136 ( 1.822 -4.545 0.338) 4.908 23.211 ( 0.951 1.029 -0.500) 1.488 23.539 ( -3.091 -5.875 -2.009) 6.936 23.683 ( 5.723 -4.551 1.064) 7.389 ======================= Grid point 273 (134/196) ======================= q-point: (-0.20 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -12.969 -7.261 2.588) 15.087 1.241 ( -15.493 -4.103 4.177) 16.562 1.666 ( -6.642 -13.220 8.517) 17.071 2.151 ( 3.302 4.052 1.025) 5.326 2.241 ( 1.856 -2.721 -7.087) 7.815 2.334 ( 3.849 -2.843 -13.107) 13.953 2.868 ( -7.224 10.156 4.366) 13.206 3.246 ( -2.051 5.285 3.787) 6.818 3.585 ( -4.062 -4.259 4.496) 7.406 3.873 ( -1.058 2.974 13.280) 13.650 4.180 ( 1.727 -1.898 -0.613) 2.638 4.247 ( 3.106 -1.690 -9.167) 9.825 4.400 ( -2.729 -5.060 11.144) 12.540 5.554 ( 2.153 3.353 -6.235) 7.399 5.637 ( 2.387 2.918 -6.821) 7.793 5.912 ( -1.976 2.232 6.655) 7.292 5.936 ( 1.483 1.302 -7.138) 7.406 6.088 ( -1.347 -10.811 4.989) 11.983 7.113 ( 2.448 -3.702 3.028) 5.373 7.708 ( 3.434 3.569 -16.924) 17.634 7.907 ( -7.103 -3.854 6.291) 10.242 8.630 ( 4.339 1.335 -4.237) 6.210 8.850 ( -0.260 2.315 8.911) 9.211 9.340 ( -0.441 8.841 -0.998) 8.908 9.569 ( 2.729 5.264 -5.567) 8.133 9.698 ( 1.846 8.730 -2.019) 9.149 10.589 ( -1.491 -12.740 4.135) 13.477 10.835 ( 1.402 -13.462 -1.123) 13.581 11.497 ( -1.792 -0.688 11.762) 11.918 12.361 ( 6.540 -6.749 -13.841) 16.730 12.612 ( 0.762 1.916 2.510) 3.248 12.719 ( -1.813 2.444 -2.681) 4.055 13.157 ( -1.673 2.926 1.874) 3.857 13.277 ( -0.553 0.370 -1.201) 1.373 14.610 ( -5.217 0.742 15.608) 16.473 15.085 ( 1.056 0.403 -2.497) 2.741 15.141 ( -1.558 1.021 -3.534) 3.995 15.394 ( -1.129 1.267 -9.086) 9.243 16.742 ( -6.923 5.375 -1.158) 8.840 16.997 ( -1.079 -2.670 -1.384) 3.195 20.949 ( 0.163 2.544 3.390) 4.241 21.277 ( 3.738 -2.262 0.129) 4.371 21.604 ( 1.274 17.719 23.484) 29.446 22.326 ( -1.461 11.546 -10.879) 15.931 23.143 ( -0.807 5.683 -0.729) 5.786 23.241 ( 1.672 -4.143 -0.032) 4.468 23.614 ( -0.020 -3.643 1.279) 3.861 23.867 ( 6.159 -8.837 1.055) 10.823 ======================= Grid point 274 (135/196) ======================= q-point: (-0.10 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -10.310 -6.781 -0.315) 12.344 1.222 ( -11.300 -6.587 -2.537) 13.323 1.880 ( -3.741 -10.735 10.063) 15.182 2.107 ( 4.937 4.056 0.814) 6.441 2.289 ( -0.792 -3.615 -3.926) 5.395 2.359 ( -1.936 -2.037 -9.475) 9.883 2.652 ( -4.240 8.557 -0.370) 9.557 3.157 ( -0.235 4.544 3.830) 5.948 3.606 ( -6.313 -2.063 5.223) 8.450 3.851 ( -1.393 2.531 13.864) 14.161 4.198 ( 2.324 -0.079 -7.732) 8.074 4.319 ( 2.139 -4.002 -0.250) 4.545 4.521 ( -3.092 -8.429 11.233) 14.380 5.463 ( 3.145 7.198 -11.981) 14.326 5.593 ( 2.009 2.462 -0.614) 3.236 5.870 ( 0.637 2.781 0.120) 2.856 5.891 ( -0.255 1.749 -4.781) 5.097 6.319 ( 0.278 -14.113 0.647) 14.131 7.196 ( 1.573 -2.839 1.528) 3.587 7.592 ( 1.365 7.208 -13.021) 14.945 7.962 ( -6.167 -6.482 8.062) 12.044 8.642 ( 5.095 0.993 -2.699) 5.851 8.829 ( -0.813 2.380 9.589) 9.913 9.175 ( -0.654 9.326 3.191) 9.879 9.490 ( 2.104 3.730 -8.324) 9.361 9.566 ( 1.442 6.702 -3.303) 7.610 10.803 ( -0.522 -10.470 4.005) 11.222 11.059 ( 0.880 -11.109 -2.161) 11.351 11.522 ( -2.583 -0.402 13.436) 13.688 12.478 ( 3.950 -4.181 -11.324) 12.701 12.577 ( -0.293 2.417 -1.407) 2.811 12.674 ( 1.430 0.573 -2.462) 2.905 13.108 ( -2.170 1.827 3.399) 4.426 13.272 ( 0.730 0.039 0.281) 0.783 14.584 ( -5.701 1.412 13.485) 14.709 15.044 ( 0.120 2.780 -5.072) 5.785 15.124 ( 0.254 -0.299 -1.566) 1.614 15.359 ( -0.509 -0.281 -7.255) 7.279 16.566 ( -8.944 5.261 -4.032) 11.132 17.081 ( 3.889 -4.320 2.048) 6.162 20.923 ( -0.281 1.615 5.155) 5.409 21.280 ( 0.295 6.762 11.119) 13.017 21.446 ( -0.140 2.743 2.913) 4.004 22.107 ( 2.502 10.101 -11.516) 15.521 23.028 ( -2.008 5.127 0.105) 5.507 23.296 ( -0.228 -1.851 -1.849) 2.626 23.672 ( 1.169 -1.577 4.245) 4.677 24.043 ( 4.655 -5.191 0.126) 6.973 ======================= Grid point 282 (136/196) ======================= q-point: (-0.30 -0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -15.809 0.000 11.242) 19.399 1.153 ( -13.871 0.000 12.323) 18.554 1.391 ( -14.870 0.000 5.976) 16.026 2.190 ( 0.257 -0.000 -2.488) 2.501 2.199 ( 2.679 -0.000 -12.865) 13.141 2.305 ( 8.326 -0.000 -10.028) 13.034 3.141 ( -6.281 0.000 3.964) 7.427 3.352 ( -3.691 0.000 2.926) 4.710 3.419 ( -2.944 0.000 8.056) 8.577 3.937 ( -1.922 0.000 13.682) 13.816 4.151 ( 2.176 -0.000 -0.638) 2.267 4.226 ( 3.475 -0.000 -14.583) 14.991 4.302 ( -3.325 0.000 12.702) 13.130 5.638 ( -0.001 0.000 7.052) 7.052 5.650 ( 3.928 -0.000 -18.148) 18.569 5.839 ( -3.236 0.000 5.246) 6.164 5.967 ( -1.464 0.000 5.655) 5.841 6.006 ( 2.087 -0.000 -1.101) 2.360 7.032 ( 2.622 -0.000 3.828) 4.640 7.755 ( 5.018 -0.000 -19.470) 20.106 7.848 ( -7.162 0.000 6.056) 9.379 8.660 ( 2.933 -0.000 -7.426) 7.984 8.899 ( -0.421 0.000 8.615) 8.625 9.498 ( 1.077 -0.000 -11.224) 11.276 9.793 ( 1.150 -0.000 -0.846) 1.428 9.878 ( 4.117 -0.000 1.663) 4.440 10.375 ( -1.389 0.000 2.705) 3.041 10.404 ( -0.155 0.000 2.966) 2.970 11.482 ( -0.867 0.000 10.011) 10.048 12.219 ( 6.948 -0.000 -12.331) 14.154 12.646 ( 1.015 -0.000 2.767) 2.947 12.764 ( -1.844 0.000 -3.712) 4.145 13.251 ( -1.441 0.000 -1.641) 2.183 13.265 ( -1.552 0.000 -1.189) 1.955 14.623 ( -5.610 0.000 17.467) 18.346 15.083 ( 1.236 -0.000 -0.469) 1.322 15.151 ( -1.599 0.000 -3.406) 3.763 15.431 ( -2.917 0.000 -11.730) 12.087 16.894 ( 3.462 -0.000 10.209) 10.780 16.907 ( -14.927 0.000 -15.057) 21.202 21.039 ( 1.792 -0.000 0.458) 1.849 21.172 ( 3.609 -0.000 -0.745) 3.685 22.265 ( 21.644 -0.000 40.341) 45.780 22.560 ( -6.785 0.000 -8.393) 10.793 23.094 ( 0.405 -0.000 -1.810) 1.855 23.207 ( 0.792 -0.000 -1.676) 1.853 23.432 ( -4.494 0.000 -2.401) 5.095 23.697 ( 5.598 -0.000 0.265) 5.604 ======================= Grid point 283 (137/196) ======================= q-point: (-0.20 -0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -13.542 -5.190 10.014) 17.624 1.080 ( -16.247 -1.022 10.138) 19.178 1.393 ( -11.078 -11.538 10.112) 18.923 2.177 ( -1.661 -0.472 -4.539) 4.857 2.193 ( 0.409 -1.331 -10.058) 10.154 2.336 ( 7.895 1.217 -12.077) 14.479 2.995 ( -6.343 8.910 1.496) 11.039 3.312 ( -2.735 3.060 5.179) 6.608 3.468 ( -5.999 -5.554 6.699) 10.569 3.943 ( -1.345 1.857 13.438) 13.633 4.171 ( 1.800 -0.667 0.050) 1.920 4.224 ( 3.343 -0.818 -12.152) 12.629 4.335 ( -3.260 -2.969 11.318) 12.147 5.605 ( 2.934 2.512 -11.467) 12.100 5.667 ( 2.114 0.144 -2.005) 2.918 5.879 ( -2.334 -5.480 4.377) 7.392 5.950 ( -2.113 1.680 5.775) 6.374 6.013 ( 1.828 0.576 -1.150) 2.235 7.087 ( 2.653 -2.364 3.774) 5.183 7.729 ( 3.433 1.304 -19.052) 19.403 7.818 ( -7.059 -1.523 6.614) 9.793 8.665 ( 4.154 0.134 -7.394) 8.482 8.906 ( -0.512 1.429 10.176) 10.289 9.447 ( 1.431 3.937 -7.776) 8.833 9.705 ( 2.691 7.823 -0.083) 8.273 9.866 ( 2.499 7.701 -1.232) 8.189 10.385 ( -1.619 -8.452 4.707) 9.809 10.603 ( 0.713 -13.539 0.086) 13.558 11.505 ( -1.122 -0.344 10.742) 10.806 12.284 ( 7.154 -4.152 -12.668) 15.129 12.651 ( 0.765 1.154 1.918) 2.366 12.727 ( -2.108 1.085 -3.613) 4.322 13.199 ( -1.496 2.855 0.291) 3.237 13.268 ( -0.663 -0.626 -0.732) 1.170 14.612 ( -7.099 0.335 16.544) 18.006 15.092 ( 1.338 -0.019 -1.385) 1.926 15.133 ( -0.560 0.179 -3.471) 3.521 15.360 ( -4.559 0.480 -11.046) 11.960 16.722 ( -12.684 2.933 -9.135) 15.904 16.959 ( 1.009 -2.088 6.440) 6.845 21.019 ( 2.098 3.320 1.340) 4.150 21.241 ( 3.278 -3.852 -1.664) 5.324 22.157 ( 9.145 30.387 29.665) 43.439 22.452 ( -2.436 7.220 -6.690) 10.140 23.177 ( 1.275 -3.038 1.157) 3.492 23.236 ( 3.534 1.200 -0.756) 3.808 23.485 ( -0.943 -10.706 -2.343) 11.000 23.790 ( 6.213 -5.517 1.579) 8.458 ======================= Grid point 284 (138/196) ======================= q-point: (-0.10 -0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -10.047 -6.621 6.384) 13.622 1.016 ( -12.108 -5.595 4.067) 13.944 1.620 ( -5.900 -16.521 12.399) 21.482 2.160 ( -3.461 -0.867 -1.617) 3.917 2.202 ( -1.392 -2.761 -7.417) 8.035 2.324 ( 5.617 2.326 -14.841) 16.038 2.785 ( -4.159 9.696 1.622) 10.674 3.233 ( -2.784 4.257 3.423) 6.131 3.516 ( -6.827 -3.875 6.151) 9.973 3.921 ( -1.976 2.863 12.828) 13.291 4.194 ( 2.702 -0.580 -6.800) 7.340 4.267 ( 2.325 -3.471 -1.197) 4.346 4.405 ( -3.757 -5.017 10.618) 12.330 5.546 ( 3.523 3.490 -14.019) 14.870 5.658 ( 2.214 2.520 -0.297) 3.367 5.911 ( -2.062 2.026 6.133) 6.780 5.931 ( 1.940 1.891 -5.811) 6.411 6.090 ( -1.009 -10.678 4.142) 11.498 7.163 ( 1.599 -2.839 2.201) 3.932 7.662 ( 2.165 3.663 -17.226) 17.744 7.832 ( -6.260 -4.522 8.452) 11.448 8.687 ( 5.488 0.062 -6.463) 8.479 8.894 ( -0.906 2.495 11.187) 11.498 9.346 ( 2.190 7.989 -1.617) 8.440 9.583 ( 1.783 7.532 -3.814) 8.628 9.707 ( 0.432 8.980 -1.918) 9.193 10.602 ( 0.529 -13.099 3.858) 13.665 10.844 ( 0.281 -13.110 -1.319) 13.180 11.530 ( -1.976 -0.413 12.176) 12.342 12.396 ( 6.068 -5.450 -12.929) 15.287 12.618 ( -1.026 2.721 -0.285) 2.922 12.692 ( 0.359 0.855 -1.656) 1.898 13.139 ( -1.756 2.692 1.989) 3.780 13.275 ( 0.441 -0.444 -0.016) 0.626 14.584 ( -7.503 0.518 14.690) 16.504 15.080 ( 0.725 2.303 -5.794) 6.277 15.118 ( 0.176 -0.117 -1.243) 1.261 15.310 ( -2.824 -1.521 -7.890) 8.517 16.561 ( -8.348 3.342 -4.861) 10.222 17.029 ( 0.088 -3.943 3.961) 5.590 20.982 ( 1.518 3.097 3.231) 4.726 21.325 ( 2.769 -2.887 -2.507) 4.721 21.728 ( -2.202 25.834 24.234) 35.490 22.275 ( 1.366 9.339 -7.522) 12.070 23.119 ( -1.348 6.442 -1.457) 6.741 23.255 ( -0.174 -1.597 -0.662) 1.738 23.649 ( 3.995 -4.757 0.696) 6.251 23.978 ( 5.909 -7.265 1.157) 9.436 ======================= Grid point 293 (139/196) ======================= q-point: (-0.20 -0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -11.141 0.000 17.098) 20.407 1.002 ( -13.142 0.000 16.270) 20.915 1.176 ( -15.777 0.000 10.852) 19.149 2.137 ( -0.499 0.000 -15.985) 15.993 2.149 ( -2.525 0.000 -4.678) 5.316 2.391 ( 8.415 -0.000 -11.177) 13.991 3.039 ( -4.668 0.000 -2.830) 5.459 3.344 ( -2.900 0.000 9.666) 10.092 3.355 ( -8.943 0.000 6.313) 10.946 3.981 ( -2.189 0.000 13.727) 13.901 4.183 ( 2.219 -0.000 -0.796) 2.358 4.212 ( 3.671 -0.000 -12.425) 12.957 4.306 ( -3.961 0.000 11.464) 12.129 5.615 ( 4.278 -0.000 -20.096) 20.546 5.688 ( 1.432 -0.000 6.634) 6.787 5.816 ( -2.740 0.000 5.985) 6.582 5.962 ( -2.465 0.000 5.192) 5.748 6.041 ( 2.776 -0.000 -1.227) 3.035 7.099 ( 2.658 -0.000 3.896) 4.716 7.719 ( 3.624 -0.000 -20.470) 20.789 7.767 ( -7.073 0.000 8.525) 11.077 8.670 ( 3.578 -0.000 -9.732) 10.369 8.943 ( -0.591 0.000 11.787) 11.802 9.474 ( 2.631 -0.000 -8.257) 8.666 9.820 ( 2.162 -0.000 0.059) 2.163 9.954 ( 3.623 -0.000 0.740) 3.698 10.358 ( -1.945 0.000 2.449) 3.127 10.416 ( -0.101 0.000 2.111) 2.113 11.521 ( -1.140 0.000 10.416) 10.478 12.275 ( 7.364 -0.000 -11.958) 14.044 12.674 ( 0.991 -0.000 1.222) 1.573 12.705 ( -2.539 0.000 -4.084) 4.809 13.222 ( -1.014 0.000 -1.328) 1.671 13.247 ( -0.728 0.000 1.005) 1.241 14.591 ( -8.884 0.000 16.271) 18.538 15.101 ( 1.679 -0.000 -1.617) 2.331 15.124 ( 0.276 -0.000 -2.472) 2.487 15.283 ( -7.247 0.000 -10.726) 12.945 16.616 ( -11.759 0.000 -6.795) 13.582 16.963 ( -0.484 0.000 5.898) 5.918 21.082 ( 3.116 -0.000 0.019) 3.116 21.217 ( 2.344 -0.000 -1.209) 2.638 22.442 ( -2.739 0.000 -5.413) 6.067 22.883 ( 27.170 -0.000 27.872) 38.924 23.099 ( 1.048 -0.000 -1.237) 1.621 23.173 ( -2.318 0.000 -2.504) 3.412 23.359 ( -2.677 0.000 -1.225) 2.944 23.785 ( 4.797 -0.000 0.096) 4.798 ======================= Grid point 294 (140/196) ======================= q-point: (-0.10 -0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -4.976 -4.285 17.317) 18.520 0.875 ( -14.496 1.070 12.338) 19.065 1.291 ( -9.517 -16.975 15.469) 24.859 2.094 ( -1.888 -0.730 -13.445) 13.597 2.123 ( -3.032 -1.293 -7.063) 7.795 2.403 ( 7.511 2.721 -12.602) 14.921 2.919 ( -2.713 8.047 0.568) 8.511 3.270 ( -5.822 2.412 2.837) 6.911 3.396 ( -6.650 -4.913 9.386) 12.509 3.977 ( -2.877 1.804 12.047) 12.517 4.194 ( 2.866 0.056 -5.222) 5.957 4.233 ( 2.219 -1.965 -2.589) 3.935 4.330 ( -3.717 -2.941 8.848) 10.038 5.583 ( 4.418 1.854 -17.969) 18.597 5.709 ( 1.591 0.998 3.552) 4.018 5.871 ( -1.539 -6.088 5.291) 8.211 5.942 ( -2.173 1.396 5.556) 6.126 6.040 ( 2.238 1.707 -1.627) 3.251 7.141 ( 1.202 -1.558 2.432) 3.129 7.678 ( 2.426 1.603 -17.421) 17.662 7.751 ( -5.279 -1.807 8.101) 9.837 8.691 ( 4.294 -1.561 -10.392) 11.351 8.956 ( -0.791 1.652 12.800) 12.931 9.458 ( 4.390 2.999 -5.843) 7.900 9.751 ( 2.682 8.187 0.271) 8.619 9.876 ( -0.815 10.443 -1.456) 10.575 10.400 ( 0.694 -9.984 4.439) 10.948 10.604 ( -0.606 -13.452 -0.474) 13.474 11.539 ( -1.872 -0.208 11.070) 11.230 12.336 ( 6.803 -3.392 -12.038) 14.237 12.649 ( -1.302 2.055 -1.323) 2.769 12.695 ( 0.299 -0.376 -1.329) 1.413 13.180 ( -1.092 2.712 0.429) 2.955 13.262 ( -0.240 -1.121 0.063) 1.148 14.555 ( -9.521 -0.109 15.031) 17.793 15.103 ( 1.630 0.963 -5.015) 5.360 15.119 ( 0.290 0.571 -2.259) 2.348 15.222 ( -4.590 -2.565 -5.605) 7.686 16.522 ( -6.278 0.563 -2.253) 6.694 16.976 ( -2.796 -1.720 3.299) 4.654 21.066 ( 2.534 3.601 1.199) 4.564 21.274 ( 2.005 -3.804 -2.476) 4.962 22.325 ( 0.188 20.991 7.335) 22.236 22.457 ( 0.309 24.473 7.425) 25.577 23.168 ( -1.483 0.056 -1.423) 2.056 23.281 ( -0.022 4.807 -1.152) 4.943 23.554 ( 10.550 -13.279 1.062) 16.993 23.896 ( 5.316 -7.350 0.877) 9.113 ======================= Grid point 304 (141/196) ======================= q-point: (-0.10 -0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -0.907 0.000 21.098) 21.118 0.903 ( -9.916 0.000 19.735) 22.086 1.012 ( -12.112 0.000 18.714) 22.292 2.037 ( -0.231 0.000 -17.925) 17.926 2.075 ( -2.034 0.000 -8.153) 8.403 2.454 ( 6.541 -0.000 -13.427) 14.935 3.002 ( 2.503 -0.000 -0.668) 2.591 3.209 ( -11.545 0.000 4.491) 12.388 3.335 ( -4.577 0.000 10.194) 11.174 3.995 ( -3.772 0.000 10.619) 11.269 4.216 ( 2.299 -0.000 -0.947) 2.487 4.221 ( 2.715 -0.000 -5.202) 5.868 4.292 ( -3.529 0.000 7.329) 8.135 5.591 ( 5.468 -0.000 -19.435) 20.190 5.737 ( -0.086 0.000 5.542) 5.542 5.816 ( -1.493 0.000 7.260) 7.412 5.950 ( -1.886 0.000 5.440) 5.758 6.080 ( 2.926 -0.000 -2.536) 3.872 7.137 ( -0.660 0.000 1.423) 1.569 7.672 ( 3.630 -0.000 -19.558) 19.892 7.720 ( -4.306 0.000 11.562) 12.338 8.673 ( 3.620 -0.000 -11.941) 12.477 9.000 ( -0.774 0.000 13.508) 13.530 9.512 ( 6.505 -0.000 -5.358) 8.427 9.856 ( 1.931 -0.000 0.276) 1.951 9.980 ( -0.692 0.000 -1.405) 1.567 10.353 ( -0.097 0.000 3.140) 3.142 10.413 ( -1.717 0.000 1.539) 2.306 11.548 ( -2.291 0.000 10.664) 10.907 12.332 ( 6.761 -0.000 -11.392) 13.247 12.654 ( -1.171 0.000 -2.024) 2.338 12.687 ( 0.389 -0.000 -0.892) 0.973 13.206 ( -0.178 0.000 -1.011) 1.026 13.240 ( -1.173 0.000 0.781) 1.409 14.507 ( -10.718 0.000 14.608) 18.118 15.110 ( 0.062 -0.000 -9.267) 9.267 15.131 ( 1.604 -0.000 -1.120) 1.956 15.150 ( -0.863 0.000 1.585) 1.804 16.488 ( -1.612 0.000 1.542) 2.231 16.936 ( -4.947 0.000 1.164) 5.082 21.135 ( 3.000 -0.000 0.057) 3.000 21.234 ( 0.775 -0.000 -1.850) 2.006 22.423 ( 2.594 -0.000 -1.291) 2.897 22.919 ( -15.110 0.000 -7.024) 16.663 23.113 ( 1.170 -0.000 -0.523) 1.281 23.320 ( -1.859 0.000 -1.509) 2.395 23.510 ( 22.483 -0.000 10.604) 24.858 23.848 ( 2.618 -0.000 -0.156) 2.623 ======================= Grid point 305 (142/196) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 1.448 -0.000 15.133) 15.202 1.275 ( -6.827 0.000 12.485) 14.230 1.565 ( 0.603 -0.000 24.401) 24.408 1.625 ( 5.479 -0.000 -10.489) 11.834 1.750 ( -0.913 0.000 -13.361) 13.392 2.052 ( 0.406 -0.000 -21.113) 21.117 3.087 ( -10.414 0.000 1.260) 10.490 3.107 ( 9.887 -0.000 -0.745) 9.915 3.558 ( -5.622 0.000 13.495) 14.619 3.844 ( 4.299 -0.000 -12.660) 13.370 4.234 ( 1.791 -0.000 -0.293) 1.814 4.234 ( -0.547 0.000 -0.343) 0.646 4.649 ( -10.437 0.000 23.948) 26.123 5.153 ( 9.683 -0.000 -22.953) 24.912 5.848 ( -3.895 0.000 6.030) 7.179 5.957 ( 3.389 -0.000 -1.430) 3.678 6.035 ( -2.108 0.000 1.275) 2.463 6.055 ( 0.555 -0.000 1.874) 1.955 7.118 ( -6.723 0.000 4.788) 8.254 7.309 ( 6.486 -0.000 -13.049) 14.572 8.037 ( -2.401 0.000 14.785) 14.979 8.360 ( 3.692 -0.000 -15.383) 15.820 9.294 ( -4.055 0.000 10.104) 10.887 9.479 ( 6.744 -0.000 -7.521) 10.102 9.880 ( 1.729 -0.000 0.101) 1.732 9.891 ( -3.314 0.000 -0.934) 3.443 10.419 ( -2.147 0.000 1.338) 2.530 10.425 ( 1.333 -0.000 0.818) 1.564 11.814 ( -4.326 0.000 13.069) 13.766 12.100 ( 5.394 -0.000 -13.734) 14.756 12.646 ( 1.882 -0.000 0.070) 1.883 12.651 ( -2.028 0.000 -0.464) 2.080 13.207 ( 1.832 -0.000 0.161) 1.839 13.214 ( -1.757 0.000 -0.371) 1.796 14.684 ( -9.881 0.000 12.600) 16.012 14.923 ( 6.549 -0.000 -9.661) 11.671 15.161 ( 1.945 -0.000 0.380) 1.982 15.178 ( 1.334 -0.000 -1.407) 1.939 16.665 ( 9.688 -0.000 4.409) 10.644 16.754 ( -9.823 0.000 -3.810) 10.536 21.183 ( 2.077 -0.000 0.218) 2.088 21.193 ( -1.253 0.000 -0.878) 1.530 22.535 ( -17.644 0.000 0.367) 17.648 22.539 ( 11.637 -0.000 0.426) 11.645 23.151 ( 2.003 -0.000 1.829) 2.713 23.206 ( -2.881 0.000 -3.108) 4.237 23.806 ( 3.605 -0.000 1.986) 4.116 23.841 ( -2.018 0.000 -1.335) 2.420 ======================= Grid point 306 (143/196) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -0.160 2.459 15.477) 15.672 1.288 ( -0.503 -4.722 9.004) 10.179 1.626 ( 4.555 -0.015 -2.522) 5.206 1.697 ( 0.299 -2.611 -0.918) 2.783 1.775 ( 3.212 -6.801 0.711) 7.554 2.001 ( -1.600 -0.936 -17.235) 17.334 2.967 ( -7.897 4.565 2.569) 9.477 3.156 ( 9.271 3.585 -1.645) 10.075 3.588 ( -3.985 -3.736 12.601) 13.734 3.864 ( 4.157 -1.764 -11.269) 12.140 4.222 ( -0.694 0.208 0.632) 0.962 4.264 ( 1.096 -1.831 -1.618) 2.678 4.637 ( -10.037 -1.235 23.234) 25.340 5.173 ( 9.683 0.170 -22.176) 24.198 5.801 ( -4.066 3.241 5.700) 7.715 5.950 ( 2.715 3.635 -5.251) 6.940 6.049 ( -1.906 -3.289 4.104) 5.594 6.077 ( -0.051 -1.872 2.246) 2.924 7.081 ( -6.402 -0.690 5.236) 8.299 7.326 ( 6.296 0.460 -11.477) 13.098 8.082 ( -1.967 -2.710 14.192) 14.582 8.372 ( 3.916 -2.168 -15.249) 15.892 9.257 ( -6.068 2.341 8.609) 10.789 9.485 ( 5.170 2.376 -8.566) 10.283 9.755 ( -1.867 10.421 1.168) 10.651 9.792 ( 1.127 9.783 -0.330) 9.853 10.515 ( -2.437 -10.572 1.795) 10.996 10.562 ( 1.424 -11.852 -0.206) 11.939 11.818 ( -5.258 -1.010 13.201) 14.245 12.126 ( 4.775 -2.292 -14.492) 15.429 12.632 ( -1.805 0.240 -0.298) 1.845 12.661 ( 1.993 0.290 0.117) 2.017 13.191 ( -0.822 1.035 0.381) 1.376 13.226 ( 2.364 0.038 -0.317) 2.386 14.643 ( -8.345 -0.290 12.628) 15.139 14.944 ( 5.907 0.925 -7.677) 9.731 15.165 ( 1.263 0.810 0.066) 1.501 15.209 ( 3.551 -1.318 -3.826) 5.384 16.660 ( -9.360 0.623 -3.488) 10.008 16.769 ( 11.971 -0.503 3.730) 12.549 21.162 ( -1.199 1.059 1.878) 2.467 21.220 ( 0.996 -1.662 -2.844) 3.441 22.269 ( -17.034 13.171 7.601) 22.834 22.565 ( 11.267 8.906 -1.603) 14.451 23.127 ( 0.130 4.095 0.756) 4.167 23.137 ( -0.673 2.522 -1.077) 2.824 23.837 ( -5.913 -2.650 -1.832) 6.734 23.879 ( 1.872 -4.664 1.290) 5.188 ======================= Grid point 307 (144/196) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.647 -0.816 11.599) 11.646 1.413 ( 3.155 -4.463 0.157) 5.468 1.632 ( -0.400 -1.283 -9.351) 9.448 1.747 ( 1.710 -3.275 -2.210) 4.305 1.961 ( 2.195 -9.101 7.385) 11.924 2.009 ( 0.602 -4.929 -5.121) 7.133 2.825 ( -4.973 5.792 1.426) 7.766 3.140 ( 8.970 5.909 0.153) 10.742 3.669 ( -2.519 -4.637 8.960) 10.399 3.909 ( 3.534 -2.441 -8.569) 9.585 4.212 ( -2.019 0.124 1.848) 2.740 4.312 ( 1.111 -3.136 -1.742) 3.755 4.651 ( -8.854 -2.744 20.949) 22.908 5.189 ( 9.111 0.571 -20.582) 22.516 5.703 ( -3.226 5.638 4.104) 7.683 5.862 ( 2.341 6.522 -5.907) 9.105 6.093 ( -1.832 -1.924 6.022) 6.582 6.154 ( -0.340 -6.051 -0.533) 6.084 7.074 ( -4.828 -2.364 5.298) 7.547 7.337 ( 5.593 0.686 -9.484) 11.032 8.159 ( -3.151 -4.166 11.656) 12.772 8.421 ( 4.062 -3.722 -12.253) 13.434 9.159 ( -7.663 4.464 7.548) 11.646 9.442 ( 3.952 4.155 -8.931) 10.614 9.560 ( 0.307 11.035 4.057) 11.761 9.602 ( 0.116 11.064 -2.338) 11.309 10.702 ( -2.855 -11.953 1.876) 12.431 10.806 ( 1.906 -13.325 -1.105) 13.506 11.829 ( -6.239 -1.464 14.058) 15.450 12.180 ( 4.643 -3.719 -15.838) 16.918 12.608 ( -1.510 1.038 -0.029) 1.833 12.664 ( 2.095 1.364 -0.120) 2.503 13.166 ( -1.091 0.941 0.973) 1.738 13.247 ( 2.932 -0.075 0.089) 2.935 14.626 ( -6.121 -0.853 11.908) 13.416 14.952 ( 5.333 1.372 -5.663) 7.899 15.156 ( 0.548 1.043 -0.338) 1.226 15.248 ( 3.797 -0.823 -5.239) 6.522 16.559 ( -9.228 1.012 -2.940) 9.737 16.898 ( 13.560 -0.945 2.972) 13.914 21.141 ( -2.325 0.644 3.906) 4.591 21.245 ( 1.024 -1.391 -5.030) 5.318 21.897 ( -13.749 16.271 14.228) 25.617 22.380 ( 8.009 18.588 -9.187) 22.227 23.085 ( 0.752 2.306 2.837) 3.732 23.115 ( 1.282 -0.840 -1.049) 1.858 23.817 ( -8.284 -2.386 -1.004) 8.679 23.977 ( 1.527 -4.028 1.070) 4.438 ======================= Grid point 308 (145/196) ======================= q-point: ( 0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -5.322 -2.888 3.586) 7.037 1.452 ( 3.661 0.602 -12.445) 12.986 1.637 ( -2.940 -3.123 -0.537) 4.323 1.870 ( 0.600 -8.677 6.666) 10.958 2.125 ( 2.736 -6.141 0.517) 6.743 2.162 ( 2.373 -8.878 4.221) 10.112 2.697 ( -0.536 6.028 -1.583) 6.255 3.116 ( 8.966 5.275 2.710) 10.750 3.737 ( -3.020 -3.424 4.488) 6.402 3.957 ( 2.579 -2.012 -5.411) 6.323 4.196 ( -3.067 0.164 4.903) 5.785 4.379 ( 0.518 -3.895 -1.361) 4.158 4.700 ( -6.686 -4.699 16.501) 18.414 5.190 ( 7.725 1.666 -17.617) 19.308 5.580 ( -2.058 6.410 1.374) 6.871 5.738 ( 2.883 7.909 -6.673) 10.742 6.122 ( -2.798 -1.015 9.560) 10.013 6.255 ( 0.514 -6.086 -5.989) 8.554 7.116 ( -2.698 -4.418 4.944) 7.158 7.344 ( 4.247 0.883 -6.899) 8.150 8.227 ( -4.290 -4.148 6.943) 9.155 8.502 ( 3.340 -4.393 -6.614) 8.614 9.030 ( -7.357 4.772 7.901) 11.803 9.347 ( 2.224 8.677 -1.181) 9.035 9.408 ( 0.732 6.207 -4.610) 7.766 9.423 ( 1.307 8.395 -2.095) 8.751 10.884 ( -2.431 -10.194 2.470) 10.767 11.031 ( 1.609 -10.569 -2.167) 10.908 11.841 ( -6.543 -1.505 15.459) 16.854 12.240 ( 4.610 -3.312 -17.401) 18.303 12.572 ( -1.087 1.684 0.512) 2.069 12.645 ( 2.091 2.528 -0.701) 3.355 13.148 ( -1.608 0.205 1.538) 2.235 13.275 ( 2.552 -0.305 0.802) 2.692 14.634 ( -4.113 -1.541 10.653) 11.522 14.956 ( 5.265 1.592 -4.273) 6.965 15.134 ( -0.504 1.202 -0.907) 1.588 15.270 ( 2.823 -0.101 -5.027) 5.766 16.464 ( -8.336 0.611 -2.170) 8.636 17.033 ( 12.848 -0.912 2.139) 13.057 21.117 ( -3.214 0.948 5.376) 6.335 21.258 ( 0.901 -0.782 -6.016) 6.133 21.587 ( -9.195 11.688 14.755) 20.949 22.059 ( 5.560 18.976 -13.692) 24.052 23.060 ( -0.261 1.309 1.502) 2.009 23.163 ( 2.867 -1.823 -0.093) 3.399 23.792 ( -7.025 -2.215 1.121) 7.451 24.046 ( 1.142 -2.356 0.539) 2.673 ======================= Grid point 309 (146/196) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -8.201 -1.543 -3.345) 8.991 1.423 ( -0.007 1.558 -8.003) 8.154 1.707 ( 1.812 -4.595 3.633) 6.131 2.055 ( -0.810 -9.597 7.080) 11.954 2.224 ( 1.667 -2.404 0.257) 2.937 2.322 ( -0.682 -7.021 2.838) 7.604 2.596 ( 3.784 6.334 -4.516) 8.651 3.124 ( 7.549 2.655 4.298) 9.084 3.758 ( -4.387 -1.597 1.277) 4.841 3.989 ( 1.546 -0.939 -3.144) 3.627 4.187 ( -2.869 0.165 9.315) 9.748 4.440 ( -0.423 -2.892 -0.698) 3.005 4.793 ( -3.701 -6.556 9.920) 12.453 5.157 ( 5.015 3.876 -11.701) 13.308 5.469 ( -0.601 4.224 -2.106) 4.758 5.612 ( 3.370 6.515 -7.839) 10.735 6.127 ( -3.691 0.565 11.414) 12.009 6.343 ( 2.309 -4.785 -10.038) 11.357 7.199 ( -0.983 -4.920 3.316) 6.014 7.336 ( 2.219 1.545 -3.641) 4.535 8.270 ( -3.803 -2.823 4.131) 6.284 8.577 ( 1.734 -2.692 -2.912) 4.328 8.936 ( -5.197 1.865 8.621) 10.238 9.202 ( 0.124 7.861 3.837) 8.748 9.315 ( 1.552 3.244 -7.074) 7.935 9.323 ( 2.056 4.360 -5.330) 7.186 11.021 ( -1.714 -6.215 2.936) 7.084 11.181 ( 1.137 -5.613 -2.708) 6.335 11.855 ( -6.055 -1.233 16.861) 17.958 12.272 ( 4.690 -1.154 -18.340) 18.965 12.541 ( -0.828 1.062 1.239) 1.830 12.614 ( 1.731 2.242 -1.445) 3.180 13.140 ( -1.807 -0.365 1.879) 2.632 13.300 ( 1.700 -0.100 1.228) 2.099 14.664 ( -2.950 -2.138 8.997) 9.706 14.959 ( 4.994 1.862 -3.507) 6.380 15.105 ( -1.344 0.732 -1.325) 2.025 15.274 ( 1.557 0.274 -4.020) 4.320 16.395 ( -6.449 -0.400 -1.478) 6.628 17.142 ( 9.523 -0.223 1.017) 9.580 21.083 ( -3.175 1.480 6.174) 7.099 21.254 ( 0.147 0.200 -3.471) 3.479 21.427 ( -4.579 3.762 9.480) 11.180 21.779 ( 4.550 12.486 -14.118) 19.389 23.041 ( -0.664 0.994 2.190) 2.495 23.208 ( 1.789 -1.202 -1.895) 2.870 23.788 ( -3.933 -1.764 2.596) 5.032 24.085 ( 0.911 -1.118 0.010) 1.442 ======================= Grid point 310 (147/196) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -1.790 -0.017 -3.589) 4.011 1.341 ( -4.259 4.703 1.206) 6.458 1.822 ( 3.634 -4.856 -1.980) 6.380 2.192 ( -0.797 -2.372 3.346) 4.178 2.255 ( 0.339 -2.201 0.342) 2.253 2.409 ( -4.682 -5.105 1.902) 7.184 2.495 ( 3.762 7.747 -4.156) 9.563 3.155 ( 2.563 0.311 3.336) 4.218 3.738 ( -4.684 -0.363 1.822) 5.039 4.001 ( 1.668 0.074 -2.971) 3.409 4.188 ( -1.749 0.844 11.771) 11.931 4.458 ( -0.916 0.302 -0.081) 0.968 4.904 ( -0.990 -5.128 3.946) 6.545 5.081 ( 1.643 4.566 -5.230) 7.135 5.431 ( 1.073 -1.187 -4.955) 5.207 5.544 ( 3.081 1.608 -7.871) 8.604 6.108 ( -3.748 1.231 11.750) 12.395 6.398 ( 3.658 -1.475 -11.710) 12.356 7.272 ( -0.153 -3.066 -0.285) 3.083 7.307 ( 0.088 2.073 -0.139) 2.079 8.279 ( -2.115 0.427 4.024) 4.566 8.603 ( 1.412 0.307 -1.595) 2.152 8.932 ( -3.062 -2.471 7.781) 8.719 9.117 ( -0.563 2.641 5.502) 6.129 9.266 ( 1.142 1.309 -8.449) 8.626 9.298 ( 2.269 -1.338 -4.703) 5.391 11.078 ( -0.885 -0.332 2.986) 3.131 11.227 ( 0.697 0.497 -2.528) 2.669 11.871 ( -5.154 -0.590 17.649) 18.395 12.263 ( 5.186 1.192 -18.016) 18.786 12.532 ( -1.023 -0.560 1.721) 2.079 12.595 ( 1.004 0.468 -2.146) 2.416 13.139 ( -1.512 -0.434 1.970) 2.521 13.312 ( 0.892 0.344 1.126) 1.477 14.704 ( -2.631 -2.481 7.010) 7.888 14.950 ( 2.845 1.937 -3.109) 4.638 15.087 ( -0.503 -0.123 -1.285) 1.385 15.267 ( 0.415 0.352 -2.992) 3.041 16.367 ( -3.702 -1.500 -0.906) 4.096 17.194 ( 4.194 0.931 -0.399) 4.315 21.059 ( -1.732 0.568 6.633) 6.879 21.249 ( -0.120 -0.688 -1.469) 1.627 21.405 ( -2.419 -1.735 6.014) 6.711 21.645 ( 4.616 2.696 -12.898) 13.962 23.025 ( -1.016 0.765 3.160) 3.406 23.228 ( 0.472 -0.874 -3.096) 3.252 23.795 ( -0.863 -0.291 2.618) 2.771 24.103 ( 0.745 -0.167 -0.536) 0.933 ======================= Grid point 311 (148/196) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 0.937 3.445 4.518) 5.758 1.220 ( -1.191 4.821 3.842) 6.279 1.905 ( 3.216 -2.636 -10.260) 11.070 2.151 ( -0.868 4.803 0.917) 4.966 2.239 ( -2.252 5.098 -3.635) 6.654 2.367 ( 0.452 7.376 -1.331) 7.509 2.497 ( -4.566 -8.905 4.150) 10.834 3.161 ( -4.425 -1.334 0.860) 4.701 3.716 ( -3.000 0.201 5.127) 5.943 3.997 ( 2.192 1.130 -4.589) 5.210 4.186 ( -0.329 1.767 10.550) 10.702 4.419 ( -0.616 2.907 0.033) 2.972 4.908 ( -3.744 4.428 10.625) 12.104 5.062 ( 3.878 -2.451 -13.362) 14.127 5.502 ( 1.839 -6.314 -4.055) 7.726 5.568 ( 1.760 -3.893 -5.136) 6.681 6.090 ( -3.031 1.021 11.299) 11.743 6.381 ( 3.324 3.550 -10.002) 11.121 7.271 ( -1.324 1.466 1.678) 2.593 7.298 ( 0.537 -0.558 -5.108) 5.166 8.238 ( -0.901 4.302 6.467) 7.819 8.591 ( 2.261 2.003 -3.434) 4.573 9.000 ( -1.568 -5.001 6.666) 8.479 9.131 ( 0.675 -2.249 4.921) 5.452 9.265 ( -0.229 -3.428 -5.888) 6.817 9.369 ( 1.881 -5.755 -4.618) 7.615 11.032 ( 0.111 5.915 2.538) 6.438 11.165 ( 0.160 6.119 -1.796) 6.379 11.879 ( -4.319 0.524 17.497) 18.030 12.228 ( 6.028 2.661 -17.123) 18.347 12.548 ( -1.189 -1.683 1.315) 2.444 12.606 ( 0.191 -1.604 -1.598) 2.272 13.141 ( -1.019 -0.364 1.873) 2.163 13.308 ( 0.109 0.753 0.507) 0.914 14.742 ( -2.729 -2.552 5.030) 6.266 14.922 ( -0.531 1.300 -2.985) 3.299 15.094 ( 1.351 -0.392 -0.646) 1.548 15.253 ( -0.451 0.477 -2.147) 2.245 16.381 ( -0.525 -2.251 -0.290) 2.329 17.174 ( -1.837 2.106 -1.688) 3.265 21.065 ( -0.341 0.032 7.089) 7.097 21.266 ( 1.360 -1.006 -4.528) 4.834 21.491 ( -3.400 -9.114 10.730) 14.483 21.692 ( 5.757 -6.649 -12.463) 15.254 23.017 ( -1.235 -0.082 3.376) 3.596 23.231 ( -0.660 -0.437 -3.225) 3.321 23.794 ( 1.855 1.475 1.926) 3.054 24.100 ( 0.592 0.883 -1.141) 1.560 ======================= Grid point 312 (149/196) ======================= q-point: (-0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -7.919 2.383 15.431) 17.508 1.209 ( 10.405 4.867 4.621) 12.381 1.890 ( -0.029 2.346 -16.950) 17.112 2.026 ( 0.081 8.649 -2.696) 9.060 2.085 ( -4.956 6.903 -0.502) 8.513 2.230 ( -3.093 5.739 -0.946) 6.588 2.649 ( -0.049 -9.001 2.773) 9.419 3.149 ( -8.416 -3.774 -0.654) 9.247 3.700 ( -2.258 1.439 7.989) 8.425 3.969 ( 2.072 2.402 -7.051) 7.732 4.181 ( 0.905 1.541 7.314) 7.529 4.359 ( 0.021 3.325 -0.294) 3.338 4.816 ( -7.054 4.196 16.620) 18.536 5.098 ( 6.529 -1.298 -19.495) 20.600 5.631 ( 0.319 -6.913 1.121) 7.010 5.675 ( 2.366 -7.539 -5.466) 9.608 6.080 ( -2.062 0.881 9.590) 9.848 6.284 ( 1.816 7.126 -4.920) 8.848 7.240 ( -2.645 1.141 2.795) 4.014 7.288 ( 2.225 0.174 -10.695) 10.926 8.159 ( -1.054 5.840 10.453) 12.020 8.549 ( 2.248 3.246 -8.101) 9.012 9.106 ( -0.599 -5.437 8.254) 9.902 9.209 ( 4.129 -3.260 -0.640) 5.300 9.368 ( -1.937 -10.314 -0.590) 10.510 9.494 ( 1.028 -8.091 -4.225) 9.185 10.895 ( 1.173 10.601 1.986) 10.849 11.014 ( -0.555 10.133 -1.113) 10.210 11.871 ( -3.870 1.633 16.463) 16.991 12.182 ( 6.729 3.510 -15.910) 17.628 12.576 ( -0.640 -1.924 0.698) 2.145 12.639 ( -0.489 -2.376 -0.730) 2.533 13.146 ( -0.587 -0.587 1.653) 1.850 13.290 ( -0.901 0.960 -0.392) 1.374 14.773 ( -3.594 -2.278 4.832) 6.439 14.885 ( -1.798 0.512 -4.226) 4.621 15.114 ( 1.966 -0.198 0.425) 2.021 15.232 ( -0.837 0.807 -1.429) 1.843 16.432 ( 2.540 -2.333 0.644) 3.508 17.088 ( -6.948 2.655 -2.467) 7.836 21.085 ( 0.480 -0.164 6.619) 6.638 21.271 ( 1.984 0.499 -5.576) 5.939 21.740 ( -4.541 -18.876 14.245) 24.079 21.890 ( 7.258 -12.608 -11.356) 18.455 23.030 ( -1.345 -1.798 2.518) 3.374 23.212 ( -1.814 0.439 -3.175) 3.683 23.786 ( 4.660 2.845 1.523) 5.668 24.073 ( 0.357 2.247 -1.691) 2.835 ======================= Grid point 313 (150/196) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -6.717 -2.313 17.908) 19.266 1.219 ( 7.600 4.869 12.569) 15.474 1.751 ( -3.163 5.863 -13.430) 14.992 1.851 ( -1.335 11.275 5.088) 12.442 1.920 ( -4.710 4.429 -10.071) 11.968 2.143 ( -0.287 1.698 -7.747) 7.936 2.819 ( 3.448 -7.747 2.110) 8.738 3.153 ( -9.252 -4.962 -1.291) 10.578 3.662 ( -3.435 2.957 10.376) 11.323 3.915 ( 2.370 3.014 -10.038) 10.746 4.188 ( 1.359 0.441 4.387) 4.614 4.305 ( 0.443 2.898 -0.967) 3.087 4.738 ( -9.145 2.575 20.863) 22.924 5.117 ( 8.102 -0.364 -22.012) 23.459 5.748 ( -1.299 -5.877 4.253) 7.370 5.816 ( 3.481 -6.592 -5.763) 9.422 6.070 ( -1.291 1.211 6.646) 6.877 6.158 ( 0.341 6.920 0.360) 6.938 7.201 ( -4.135 0.842 3.281) 5.345 7.282 ( 4.250 -0.126 -13.628) 14.276 8.084 ( -1.843 4.639 13.854) 14.726 8.475 ( 2.053 3.834 -12.448) 13.186 9.208 ( -1.397 -3.906 11.327) 12.063 9.308 ( 6.792 -3.750 -5.255) 9.371 9.570 ( -1.594 -13.308 0.939) 13.436 9.641 ( -0.079 -9.186 -3.394) 9.793 10.703 ( 1.852 12.702 1.941) 12.982 10.802 ( -1.281 12.411 -0.943) 12.513 11.847 ( -3.775 1.952 14.998) 15.588 12.137 ( 6.904 3.343 -14.559) 16.456 12.605 ( 0.316 -1.332 0.340) 1.410 12.667 ( -0.991 -1.432 -0.560) 1.829 13.161 ( -0.139 -1.022 1.280) 1.643 13.261 ( -1.895 0.697 -0.950) 2.231 14.777 ( -7.834 -0.996 9.422) 12.294 14.866 ( 2.211 -0.614 -9.058) 9.344 15.132 ( 1.509 0.091 1.354) 2.029 15.206 ( -0.472 1.066 -0.940) 1.498 16.503 ( 5.113 -1.620 2.083) 5.754 16.967 ( -9.804 2.039 -2.863) 10.415 21.114 ( 0.961 -0.679 4.929) 5.068 21.254 ( 1.495 1.509 -4.491) 4.968 22.111 ( -0.147 -19.674 5.007) 20.302 22.178 ( 2.090 -17.902 -0.841) 18.043 23.073 ( -1.510 -3.703 0.728) 4.065 23.175 ( -2.262 0.410 -3.398) 4.102 23.781 ( 7.122 3.772 2.029) 8.311 24.014 ( -0.228 4.130 -2.062) 4.622 ======================= Grid point 314 (151/196) ======================= q-point: (-0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -1.660 -1.190 15.020) 15.158 1.246 ( -1.505 -0.857 19.086) 19.165 1.601 ( -1.900 6.641 3.257) 7.637 1.675 ( 0.180 6.888 -0.338) 6.899 1.811 ( -2.280 1.556 -13.171) 13.457 2.099 ( 1.027 0.427 -16.446) 16.483 2.981 ( 5.925 -5.451 1.522) 8.194 3.149 ( -8.962 -2.931 -1.084) 9.491 3.600 ( -5.172 2.994 12.478) 13.835 3.862 ( 3.526 2.046 -12.298) 12.956 4.208 ( 1.330 -0.468 1.877) 2.347 4.261 ( 0.438 2.113 -1.073) 2.410 4.683 ( -10.182 1.202 23.247) 25.407 5.134 ( 9.160 -0.134 -22.931) 24.693 5.829 ( -2.575 -3.456 5.534) 7.014 5.917 ( 3.824 -2.675 -4.346) 6.377 6.052 ( -0.830 1.311 3.832) 4.134 6.070 ( -0.637 2.870 2.437) 3.819 7.161 ( -5.683 0.259 4.050) 6.983 7.291 ( 5.837 -0.236 -14.091) 15.254 8.041 ( -2.631 2.414 15.151) 15.566 8.397 ( 2.785 2.703 -14.726) 15.229 9.275 ( -2.518 -2.042 11.276) 11.733 9.413 ( 7.676 -2.602 -6.328) 10.282 9.777 ( 0.538 -9.288 -0.629) 9.325 9.800 ( -2.542 -10.716 -1.171) 11.075 10.510 ( 1.527 10.511 2.146) 10.836 10.568 ( -1.565 11.784 -0.643) 11.905 11.824 ( -3.891 1.246 13.712) 14.308 12.107 ( 6.362 2.060 -13.731) 15.273 12.628 ( 1.226 -0.514 0.078) 1.331 12.668 ( -1.603 -0.182 -0.561) 1.708 13.185 ( 0.580 -1.018 0.687) 1.359 13.233 ( -2.101 0.211 -0.770) 2.247 14.736 ( -10.097 -0.082 11.695) 15.451 14.890 ( 5.607 -0.859 -10.400) 11.846 15.144 ( 1.137 0.036 1.383) 1.791 15.185 ( 0.454 0.954 -0.784) 1.315 16.581 ( 7.311 -0.525 3.673) 8.199 16.850 ( -10.299 0.672 -3.345) 10.850 21.149 ( 1.249 -1.133 2.480) 2.999 21.223 ( 0.511 1.731 -2.650) 3.206 22.385 ( 10.120 -7.547 -2.776) 12.926 22.500 ( -12.607 -18.129 3.884) 22.420 23.113 ( 0.229 -1.505 -0.087) 1.525 23.183 ( -2.331 -4.483 -2.991) 5.871 23.784 ( 7.364 3.194 2.652) 8.454 23.915 ( -1.179 5.358 -1.759) 5.762 ======================= Grid point 316 (152/196) ======================= q-point: ( 0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -2.280 0.000 4.652) 5.181 1.294 ( 4.830 -0.000 15.615) 16.345 1.688 ( 2.004 -0.000 4.041) 4.511 1.701 ( 0.509 -0.000 3.295) 3.334 1.720 ( 9.016 -0.000 -3.014) 9.506 1.926 ( -1.385 0.000 -21.701) 21.745 2.954 ( -6.099 0.000 1.372) 6.251 3.263 ( 7.797 -0.000 0.959) 7.856 3.559 ( -1.966 0.000 12.839) 12.989 3.855 ( 4.643 -0.000 -11.567) 12.464 4.217 ( -0.728 0.000 -1.582) 1.741 4.251 ( 0.215 -0.000 -0.688) 0.721 4.605 ( -9.972 0.000 24.095) 26.077 5.196 ( 9.816 -0.000 -22.437) 24.490 5.809 ( -4.350 0.000 6.190) 7.566 5.983 ( 0.066 -0.000 -5.457) 5.457 6.012 ( -0.746 0.000 5.563) 5.613 6.067 ( -0.296 0.000 1.343) 1.376 7.037 ( -6.233 0.000 6.559) 9.048 7.353 ( 6.064 -0.000 -10.877) 12.453 8.082 ( -1.202 0.000 13.550) 13.603 8.349 ( 4.894 -0.000 -15.967) 16.700 9.243 ( -7.513 0.000 7.618) 10.699 9.514 ( 3.060 -0.000 -10.214) 10.662 9.846 ( -1.850 0.000 0.672) 1.968 9.918 ( 2.137 -0.000 1.050) 2.381 10.392 ( -1.866 0.000 1.786) 2.583 10.443 ( 0.149 -0.000 0.668) 0.684 11.798 ( -5.624 0.000 12.344) 13.565 12.099 ( 3.348 -0.000 -14.360) 14.745 12.616 ( -1.854 0.000 -0.083) 1.855 12.683 ( 2.368 -0.000 0.267) 2.383 13.199 ( 0.443 -0.000 -0.775) 0.893 13.250 ( 2.952 -0.000 0.271) 2.964 14.613 ( -6.674 0.000 13.730) 15.266 14.977 ( 4.305 -0.000 -5.468) 6.959 15.197 ( 2.454 -0.000 -0.459) 2.497 15.210 ( 4.833 -0.000 -6.600) 8.181 16.589 ( -7.408 0.000 -2.770) 7.909 16.877 ( 12.881 -0.000 2.999) 13.225 21.158 ( -2.178 0.000 -1.313) 2.544 21.210 ( 1.142 -0.000 -0.170) 1.155 22.250 ( -18.632 0.000 7.161) 19.961 22.744 ( 11.556 -0.000 2.768) 11.883 23.144 ( -2.666 0.000 -2.340) 3.547 23.193 ( 1.485 -0.000 3.058) 3.399 23.755 ( -6.936 0.000 -3.392) 7.721 23.826 ( -1.597 0.000 1.331) 2.079 ======================= Grid point 317 (153/196) ======================= q-point: ( 0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.505 1.203 2.889) 3.170 1.410 ( 6.088 -2.945 14.137) 15.671 1.652 ( 5.029 3.423 -16.739) 17.811 1.734 ( 1.666 -0.269 3.537) 3.919 1.849 ( 0.317 -6.658 7.615) 10.120 1.912 ( 2.455 -4.615 -10.128) 11.397 2.885 ( -2.512 3.745 1.641) 4.799 3.290 ( 5.388 3.239 3.594) 7.241 3.611 ( 0.183 -2.608 8.796) 9.177 3.880 ( 4.397 -1.732 -9.835) 10.911 4.204 ( -1.029 0.253 -1.433) 1.783 4.263 ( -0.976 -2.060 -1.188) 2.571 4.599 ( -9.158 -1.294 23.706) 25.446 5.216 ( 9.456 0.207 -21.893) 23.848 5.765 ( -3.732 2.988 5.818) 7.530 5.943 ( 0.039 2.832 -5.423) 6.118 6.044 ( -1.604 -2.536 4.674) 5.554 6.085 ( -0.202 -2.122 1.626) 2.681 7.018 ( -4.958 -1.159 7.322) 8.919 7.369 ( 5.441 0.434 -10.116) 11.494 8.121 ( -1.493 -1.479 11.591) 11.780 8.370 ( 5.101 -2.239 -14.434) 15.471 9.174 ( -8.322 2.467 7.178) 11.263 9.489 ( 1.811 1.801 -11.031) 11.323 9.746 ( -0.471 8.633 1.744) 8.820 9.812 ( 0.681 11.379 0.936) 11.438 10.485 ( -1.761 -9.964 1.430) 10.219 10.579 ( 0.293 -12.529 0.322) 12.537 11.790 ( -6.239 -0.963 12.429) 13.941 12.110 ( 2.623 -2.712 -14.910) 15.380 12.603 ( -1.485 0.095 0.330) 1.524 12.699 ( 2.367 0.505 0.114) 2.423 13.191 ( 0.993 1.424 -0.493) 1.804 13.273 ( 2.809 0.133 -0.053) 2.813 14.606 ( -4.316 -0.266 13.949) 14.604 14.992 ( 3.361 0.398 -3.363) 4.772 15.194 ( 3.107 1.773 -2.956) 4.641 15.250 ( 4.323 -1.026 -6.347) 7.748 16.517 ( -5.753 1.541 -1.164) 6.068 16.997 ( 12.965 -0.829 1.377) 13.065 21.134 ( -2.531 0.166 0.086) 2.538 21.223 ( 0.689 -0.699 -1.903) 2.141 22.037 ( -16.795 9.339 12.719) 23.045 22.722 ( 8.239 13.363 -2.440) 15.887 23.113 ( 0.085 -0.115 -0.206) 0.251 23.167 ( 1.603 4.302 3.013) 5.491 23.692 ( -9.213 -2.270 -3.364) 10.067 23.885 ( -2.067 -6.287 1.076) 6.705 ======================= Grid point 318 (154/196) ======================= q-point: ( 0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.555 1.465 -0.996) 1.856 1.517 ( 7.241 2.002 -1.409) 7.643 1.597 ( 2.828 -0.105 -6.444) 7.038 1.783 ( 1.755 -4.165 3.645) 5.807 2.004 ( -0.696 -9.078 6.084) 10.950 2.045 ( 3.267 -7.276 0.640) 8.002 2.804 ( 2.013 5.301 0.809) 5.728 3.276 ( 5.543 4.456 4.908) 8.641 3.671 ( -1.321 -2.544 3.552) 4.564 3.929 ( 3.442 -2.161 -6.119) 7.346 4.184 ( -1.847 0.166 -0.170) 1.862 4.300 ( -1.851 -3.823 -1.446) 4.487 4.626 ( -7.491 -2.833 21.751) 23.179 5.228 ( 8.508 0.747 -20.422) 22.136 5.675 ( -2.750 5.499 4.119) 7.400 5.859 ( 1.142 5.434 -6.048) 8.210 6.088 ( -2.295 -2.783 5.519) 6.593 6.148 ( -0.116 -4.573 -0.349) 4.588 7.041 ( -3.113 -3.123 7.552) 8.745 7.375 ( 4.703 0.704 -8.996) 10.176 8.162 ( -2.047 -2.098 7.141) 7.719 8.433 ( 3.745 -4.016 -9.401) 10.887 9.067 ( -7.808 4.009 7.859) 11.781 9.429 ( 1.358 2.975 -11.397) 11.857 9.586 ( 0.193 10.516 3.523) 11.092 9.598 ( -0.050 11.508 -0.652) 11.526 10.674 ( -1.480 -11.846 1.706) 12.059 10.819 ( 0.233 -13.518 -0.963) 13.554 11.795 ( -6.464 -1.766 13.562) 15.127 12.155 ( 2.485 -4.310 -16.137) 16.887 12.587 ( -1.084 0.813 0.883) 1.617 12.700 ( 2.204 1.635 -0.431) 2.778 13.166 ( 0.550 1.896 0.562) 2.053 13.292 ( 2.148 -0.079 -0.298) 2.170 14.622 ( -2.247 -0.459 13.162) 13.361 15.005 ( 3.470 0.462 -2.026) 4.045 15.170 ( 2.606 2.602 -4.296) 5.658 15.275 ( 2.760 -0.307 -5.526) 6.185 16.439 ( -4.117 2.416 0.862) 4.851 17.118 ( 11.374 -1.018 -0.368) 11.426 21.113 ( -2.837 0.132 2.295) 3.651 21.233 ( 0.366 -0.853 -4.027) 4.133 21.754 ( -12.697 12.135 16.385) 24.020 22.430 ( 4.340 21.277 -10.958) 24.323 23.105 ( 1.128 2.823 0.145) 3.043 23.161 ( 2.649 -1.197 2.880) 4.092 23.676 ( -7.551 -4.180 -0.338) 8.637 23.976 ( -2.147 -5.422 0.580) 5.861 ======================= Grid point 319 (155/196) ======================= q-point: ( 0.40 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 2.153 1.518 -3.258) 4.190 1.488 ( 8.110 3.997 -12.158) 15.151 1.658 ( 0.542 -3.297 7.085) 7.833 1.923 ( 1.500 -7.605 7.278) 10.633 2.166 ( 1.711 -6.654 0.743) 6.911 2.190 ( -1.177 -7.346 4.071) 8.480 2.737 ( 5.506 6.025 -0.884) 8.209 3.254 ( 5.224 4.481 4.151) 8.038 3.695 ( -3.627 -1.873 1.129) 4.235 3.971 ( 1.609 -1.452 -2.934) 3.647 4.176 ( -1.828 -0.810 2.759) 3.407 4.354 ( -2.785 -4.625 -1.384) 5.574 4.692 ( -5.044 -4.702 17.445) 18.759 5.218 ( 6.706 2.019 -17.465) 18.817 5.557 ( -1.541 6.321 1.587) 6.697 5.742 ( 2.064 7.159 -7.371) 10.480 6.123 ( -3.057 -1.116 9.219) 9.776 6.234 ( 0.780 -5.836 -5.577) 8.110 7.114 ( -1.269 -4.880 6.734) 8.412 7.373 ( 3.660 1.242 -7.114) 8.096 8.204 ( -1.790 -2.838 4.432) 5.559 8.511 ( 1.371 -4.378 -5.460) 7.132 8.962 ( -5.974 3.442 9.134) 11.444 9.354 ( 1.287 3.269 -11.483) 12.009 9.379 ( -1.044 11.071 2.920) 11.497 9.448 ( 1.269 7.850 -0.595) 7.974 10.868 ( -0.956 -10.299 2.430) 10.625 11.032 ( -0.010 -10.729 -2.173) 10.947 11.816 ( -6.156 -2.171 15.305) 16.639 12.209 ( 2.900 -4.034 -17.552) 18.242 12.561 ( -0.788 1.473 1.560) 2.286 12.674 ( 1.851 2.894 -1.226) 3.647 13.143 ( -0.209 1.159 1.876) 2.215 13.308 ( 1.126 -0.306 -0.365) 1.223 14.651 ( -1.048 -0.610 11.504) 11.568 15.022 ( 4.458 0.775 -1.666) 4.822 15.122 ( 0.922 2.971 -4.865) 5.774 15.278 ( 1.031 0.214 -4.018) 4.153 16.377 ( -1.963 2.067 2.871) 4.046 17.207 ( 7.579 -0.249 -2.405) 7.955 21.093 ( -2.637 0.591 4.376) 5.143 21.238 ( 0.035 -0.755 -4.711) 4.771 21.519 ( -8.041 8.809 14.766) 18.982 22.058 ( 3.292 19.209 -14.648) 24.380 23.074 ( 1.383 1.975 0.607) 2.487 23.201 ( 1.085 -0.737 0.642) 1.460 23.708 ( -3.794 -4.316 2.404) 6.229 24.039 ( -2.063 -3.678 -0.120) 4.218 ======================= Grid point 320 (156/196) ======================= q-point: ( 0.50 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 9.415 0.210 -1.374) 9.517 1.442 ( 4.996 5.810 -2.359) 8.017 1.750 ( 0.953 -5.051 1.088) 5.254 2.088 ( -0.419 -7.920 7.598) 10.983 2.241 ( 0.683 -1.375 -0.038) 1.535 2.304 ( -1.919 -5.313 1.513) 5.848 2.660 ( 5.131 7.788 -2.320) 9.611 3.214 ( 0.877 4.071 0.907) 4.262 3.694 ( -3.754 -1.322 3.325) 5.186 3.996 ( 0.791 -1.054 -1.527) 2.017 4.196 ( -1.336 -1.210 6.578) 6.820 4.403 ( -3.449 -3.939 -0.886) 5.310 4.798 ( -2.251 -6.406 10.713) 12.684 5.168 ( 3.676 4.390 -11.684) 13.012 5.455 ( 0.114 4.005 -1.550) 4.296 5.618 ( 2.531 6.100 -8.896) 11.079 6.124 ( -3.700 0.547 11.058) 11.674 6.330 ( 2.369 -5.316 -9.448) 11.096 7.210 ( -0.185 -4.417 4.239) 6.125 7.351 ( 2.046 2.281 -3.993) 5.033 8.255 ( -0.594 -2.663 4.184) 4.995 8.572 ( -0.232 -3.228 -3.574) 4.822 8.909 ( -3.772 0.588 9.495) 10.233 9.212 ( -1.880 7.310 4.333) 8.703 9.285 ( 1.809 2.571 -10.746) 11.196 9.340 ( 1.668 4.799 -2.748) 5.776 11.019 ( -0.430 -6.340 3.026) 7.038 11.174 ( -0.105 -5.900 -2.762) 6.516 11.847 ( -5.661 -2.025 16.880) 17.918 12.246 ( 4.015 -2.206 -18.358) 18.921 12.535 ( -0.822 1.106 2.103) 2.515 12.629 ( 1.076 2.843 -1.868) 3.568 13.134 ( -0.499 0.224 2.846) 2.898 13.318 ( 0.129 -0.207 -0.436) 0.500 14.683 ( -0.766 -0.749 9.411) 9.472 15.023 ( 4.816 3.810 -5.156) 8.018 15.077 ( -0.701 -0.084 -1.123) 1.326 15.267 ( -0.128 0.374 -2.906) 2.933 16.354 ( 0.777 0.980 4.397) 4.572 17.232 ( 2.142 1.058 -4.700) 5.272 21.075 ( -1.512 0.754 5.897) 6.134 21.234 ( -0.916 -0.253 -2.018) 2.230 21.402 ( -3.852 2.480 8.488) 9.645 21.770 ( 3.341 11.575 -14.395) 18.772 23.056 ( 1.093 1.767 2.001) 2.885 23.211 ( -0.234 -0.389 -1.325) 1.401 23.766 ( -0.513 -3.113 3.078) 4.408 24.074 ( -2.018 -2.323 -0.799) 3.179 ======================= Grid point 321 (157/196) ======================= q-point: (-0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 8.069 3.969 2.731) 9.398 1.369 ( 9.312 5.922 4.929) 12.087 1.842 ( 1.443 -4.301 -5.477) 7.112 2.191 ( -1.905 -1.049 3.004) 3.709 2.261 ( 0.175 -0.810 -0.151) 0.842 2.345 ( -4.680 -2.730 2.214) 5.853 2.535 ( 4.356 8.828 -2.535) 10.166 3.124 ( -6.725 2.829 -2.686) 7.774 3.708 ( -1.465 -0.942 7.412) 7.614 4.011 ( 1.246 -0.195 -2.722) 3.000 4.221 ( -1.349 -0.261 9.753) 9.849 4.421 ( -2.986 -1.174 -0.364) 3.229 4.916 ( -0.285 -4.647 4.219) 6.283 5.072 ( 0.863 4.923 -5.742) 7.613 5.431 ( 1.831 -1.639 -4.240) 4.900 5.544 ( 2.157 1.457 -8.608) 8.993 6.111 ( -3.508 0.847 11.989) 12.520 6.393 ( 3.329 -1.911 -11.908) 12.511 7.273 ( 0.357 -1.814 0.092) 1.851 7.308 ( 0.031 2.773 -0.188) 2.780 8.296 ( 0.970 0.108 5.563) 5.648 8.601 ( -0.195 -1.141 -3.288) 3.486 8.928 ( -2.441 -2.916 8.486) 9.299 9.127 ( -2.205 1.530 6.267) 6.817 9.237 ( 1.633 1.263 -9.479) 9.701 9.311 ( 2.107 -0.913 -4.847) 5.364 11.089 ( 0.055 -0.517 3.257) 3.298 11.217 ( -0.134 0.235 -2.736) 2.750 11.878 ( -5.299 -1.307 17.709) 18.531 12.256 ( 5.561 0.042 -18.131) 18.965 12.525 ( -1.068 -0.257 2.238) 2.493 12.594 ( 0.236 0.856 -2.219) 2.390 13.139 ( -0.240 -0.063 3.277) 3.286 13.314 ( -0.713 0.202 -0.731) 1.041 14.712 ( -1.139 -0.913 7.491) 7.632 14.956 ( 0.530 3.684 -5.749) 6.848 15.097 ( 1.997 -0.724 0.367) 2.155 15.250 ( -0.547 0.360 -2.528) 2.611 16.379 ( 3.787 -0.195 5.235) 6.464 17.180 ( -3.646 2.340 -6.652) 7.939 21.079 ( -0.288 -0.142 6.820) 6.828 21.235 ( -0.737 -1.499 -0.954) 1.923 21.395 ( -2.353 -2.121 5.795) 6.605 21.649 ( 4.099 1.267 -13.084) 13.769 23.039 ( 0.474 1.639 3.613) 3.996 23.209 ( -0.791 -0.397 -2.682) 2.824 23.818 ( 1.847 -1.186 2.742) 3.512 24.085 ( -2.168 -1.269 -1.546) 2.949 ======================= Grid point 322 (158/196) ======================= q-point: (-0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -1.150 8.270 13.003) 15.453 1.431 ( 17.230 5.054 2.326) 18.106 1.873 ( 0.709 0.026 -11.205) 11.228 2.142 ( -2.814 4.096 2.798) 5.703 2.178 ( -1.404 8.020 -5.229) 9.677 2.287 ( -7.962 4.682 0.660) 9.260 2.545 ( 6.689 -4.832 2.837) 8.726 3.020 ( -10.556 -1.087 -3.918) 11.312 3.729 ( -0.631 0.488 9.620) 9.653 4.002 ( 1.442 1.377 -5.395) 5.752 4.230 ( -1.194 0.981 10.019) 10.137 4.396 ( -1.400 1.537 -0.679) 2.187 4.889 ( -4.913 5.534 9.840) 12.312 5.068 ( 5.296 -2.833 -13.257) 14.554 5.515 ( 1.844 -6.412 -3.035) 7.330 5.564 ( 1.432 -4.419 -5.991) 7.581 6.103 ( -2.817 0.661 11.833) 12.182 6.379 ( 2.953 3.172 -10.552) 11.407 7.254 ( -1.736 2.338 1.593) 3.320 7.288 ( 1.327 0.214 -4.399) 4.600 8.282 ( 0.998 4.567 8.918) 10.069 8.585 ( 0.182 1.564 -6.206) 6.402 9.014 ( -1.562 -5.955 8.081) 10.159 9.164 ( -0.955 -5.128 6.902) 8.651 9.232 ( 1.409 -2.119 -7.974) 8.370 9.371 ( 1.603 -5.299 -5.775) 8.000 11.054 ( 0.469 5.548 3.109) 6.377 11.151 ( -0.242 6.107 -2.398) 6.566 11.893 ( -5.230 0.040 17.503) 18.268 12.244 ( 6.719 1.856 -17.325) 18.675 12.539 ( -0.807 -1.674 1.926) 2.677 12.595 ( -0.200 -1.558 -1.978) 2.526 13.147 ( 0.187 0.040 3.317) 3.323 13.293 ( -1.526 0.789 -1.368) 2.196 14.734 ( -2.477 -0.975 6.922) 7.417 14.888 ( -0.249 2.175 -5.628) 6.039 15.126 ( 1.927 -0.434 1.047) 2.235 15.233 ( -0.129 0.435 -2.817) 2.853 16.447 ( 6.580 -0.991 5.507) 8.638 17.062 ( -8.320 3.042 -7.524) 11.623 21.101 ( -0.253 -0.274 7.399) 7.409 21.264 ( 1.460 -1.587 -4.829) 5.288 21.483 ( -4.388 -9.355 11.315) 15.323 21.722 ( 5.852 -8.440 -12.989) 16.559 23.028 ( 0.034 0.899 4.352) 4.444 23.195 ( -1.385 0.152 -3.462) 3.732 23.854 ( 3.735 0.382 2.610) 4.573 24.074 ( -2.521 -0.206 -2.381) 3.474 ======================= Grid point 323 (159/196) ======================= q-point: (-0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -1.200 4.295 18.341) 18.875 1.446 ( 11.976 7.650 2.020) 14.353 1.788 ( -1.447 5.163 -11.329) 12.534 1.974 ( -6.428 8.030 -4.749) 11.329 2.035 ( 1.145 8.744 0.883) 8.863 2.149 ( -4.765 3.253 -2.458) 6.271 2.727 ( 5.864 -7.577 4.614) 10.634 2.984 ( -8.529 -4.950 -4.510) 10.844 3.720 ( -1.653 2.655 10.605) 11.056 3.960 ( 1.768 2.685 -8.161) 8.771 4.224 ( -0.784 1.140 7.645) 7.769 4.350 ( 0.130 2.568 -1.886) 3.188 4.778 ( -7.696 4.481 16.013) 18.323 5.117 ( 7.722 -1.244 -18.767) 20.332 5.630 ( -1.397 -6.626 1.790) 7.004 5.692 ( 3.441 -8.375 -6.313) 11.038 6.099 ( -2.004 0.926 9.915) 10.157 6.285 ( 1.520 6.683 -5.457) 8.761 7.199 ( -3.820 2.019 2.601) 5.043 7.285 ( 3.621 0.178 -9.018) 9.720 8.212 ( -0.514 6.384 12.756) 14.273 8.521 ( 0.914 3.391 -10.809) 11.366 9.132 ( -2.513 -5.993 9.743) 11.712 9.279 ( 5.335 -3.822 -4.025) 7.699 9.333 ( -2.045 -11.450 2.170) 11.832 9.481 ( 0.572 -7.732 -5.738) 9.645 10.925 ( 0.387 10.027 2.925) 10.452 10.995 ( -0.139 10.492 -2.222) 10.726 11.881 ( -5.330 1.311 16.334) 17.231 12.212 ( 6.986 3.048 -16.229) 17.930 12.577 ( 0.031 -2.259 1.614) 2.776 12.625 ( -0.334 -2.222 -1.702) 2.819 13.158 ( 0.443 -0.103 3.117) 3.150 13.256 ( -1.989 1.068 -2.022) 3.031 14.731 ( -6.311 -0.157 9.036) 11.023 14.861 ( 3.047 -0.059 -7.395) 7.998 15.146 ( 0.578 -0.084 2.024) 2.106 15.220 ( 1.353 0.682 -3.541) 3.852 16.545 ( 8.661 -1.160 5.496) 10.323 16.910 ( -10.616 2.680 -7.059) 13.028 21.122 ( -0.480 -0.396 6.721) 6.749 21.273 ( 1.981 0.502 -6.154) 6.484 21.718 ( -7.382 -18.276 15.200) 24.891 21.956 ( 8.097 -14.622 -12.347) 20.780 23.034 ( -0.213 -0.464 3.930) 3.963 23.162 ( -1.723 0.892 -3.872) 4.331 23.881 ( 4.718 1.396 2.996) 5.761 24.036 ( -3.052 1.200 -3.146) 4.545 ======================= Grid point 324 (160/196) ======================= q-point: (-0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.337 -0.777 19.737) 19.755 1.378 ( 3.625 7.827 4.681) 9.815 1.661 ( 0.333 4.435 -7.915) 9.079 1.790 ( -4.263 5.423 -5.304) 8.701 1.890 ( 2.563 9.225 2.176) 9.819 2.071 ( -2.369 1.359 -9.091) 9.492 2.898 ( -1.304 -6.940 6.279) 9.449 3.030 ( 1.162 -5.585 -5.777) 8.119 3.664 ( -3.377 4.365 11.422) 12.685 3.904 ( 2.940 2.803 -10.172) 10.953 4.221 ( -0.532 0.360 4.310) 4.357 4.302 ( 0.945 2.614 -2.624) 3.823 4.693 ( -9.342 2.663 20.712) 22.877 5.147 ( 9.008 -0.423 -21.122) 22.966 5.734 ( -2.875 -5.913 4.167) 7.784 5.844 ( 3.487 -6.914 -5.899) 9.735 6.085 ( -1.222 1.547 6.498) 6.791 6.161 ( -0.098 6.721 -0.151) 6.723 7.137 ( -5.412 1.422 3.669) 6.691 7.298 ( 5.484 -0.406 -11.264) 12.535 8.132 ( -1.891 5.226 14.570) 15.594 8.437 ( 2.330 3.601 -13.950) 14.595 9.219 ( -4.539 -4.198 9.778) 11.569 9.392 ( 6.622 -4.503 -6.584) 10.367 9.549 ( -1.445 -13.048 2.773) 13.418 9.620 ( -0.117 -9.399 -3.894) 10.175 10.732 ( -1.060 12.122 2.723) 12.469 10.781 ( 0.871 13.008 -1.878) 13.171 11.850 ( -5.299 1.638 14.690) 15.702 12.170 ( 6.272 3.281 -15.149) 16.721 12.619 ( 0.388 -1.656 1.205) 2.085 12.648 ( -0.247 -0.962 -1.495) 1.795 13.175 ( -0.049 -0.697 2.541) 2.635 13.224 ( -0.599 0.493 -1.988) 2.134 14.690 ( -8.518 0.400 10.940) 13.871 14.893 ( 5.771 -1.319 -8.210) 10.121 15.152 ( -0.226 -0.092 1.923) 1.939 15.213 ( 2.898 1.052 -3.787) 4.884 16.652 ( 8.842 -0.885 5.231) 10.312 16.771 ( -9.126 1.474 -5.696) 10.858 21.143 ( -0.654 -0.795 4.870) 4.977 21.252 ( 1.366 1.612 -5.144) 5.561 22.041 ( -11.817 -21.344 13.329) 27.801 22.273 ( 9.942 -14.939 -8.513) 19.862 23.064 ( -0.348 -2.353 2.324) 3.326 23.128 ( -1.065 0.073 -3.165) 3.340 23.892 ( 3.013 2.323 3.169) 4.951 23.962 ( -3.045 3.311 -3.343) 5.604 ======================= Grid point 327 (161/196) ======================= q-point: ( 0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 5.906 -0.000 0.287) 5.913 1.473 ( 6.851 -0.000 14.003) 15.589 1.695 ( 5.225 -0.000 -12.821) 13.845 1.762 ( -3.270 0.000 17.180) 17.488 1.763 ( -1.408 0.000 -14.741) 14.808 1.892 ( 8.087 -0.000 -4.078) 9.057 2.917 ( 0.777 -0.000 2.268) 2.398 3.354 ( 0.605 -0.000 8.744) 8.765 3.635 ( 4.378 -0.000 6.273) 7.650 3.873 ( 4.643 -0.000 -11.131) 12.061 4.195 ( -0.760 0.000 -2.324) 2.445 4.222 ( -3.244 0.000 -1.436) 3.548 4.578 ( -8.579 0.000 24.916) 26.351 5.238 ( 9.255 -0.000 -22.376) 24.215 5.777 ( -3.365 0.000 6.302) 7.144 5.941 ( -1.361 0.000 -3.694) 3.937 6.037 ( -0.232 0.000 4.456) 4.462 6.058 ( -1.447 0.000 1.185) 1.871 6.991 ( -4.082 0.000 8.669) 9.582 7.387 ( 4.743 -0.000 -10.410) 11.440 8.133 ( -0.950 0.000 11.983) 12.020 8.355 ( 6.005 -0.000 -16.343) 17.411 9.146 ( -8.336 0.000 7.367) 11.125 9.484 ( 0.722 -0.000 -11.753) 11.776 9.829 ( -0.975 0.000 0.725) 1.216 9.943 ( -0.026 0.000 0.531) 0.531 10.383 ( -0.267 0.000 2.078) 2.095 10.438 ( -1.120 0.000 1.027) 1.520 11.759 ( -6.509 0.000 11.536) 13.245 12.062 ( 1.338 -0.000 -14.346) 14.409 12.595 ( -0.874 0.000 1.040) 1.358 12.723 ( 2.365 -0.000 -0.156) 2.370 13.216 ( 2.126 -0.000 -1.466) 2.582 13.294 ( 2.141 -0.000 -0.483) 2.195 14.616 ( -2.084 0.000 15.242) 15.384 15.009 ( 1.974 -0.000 -1.222) 2.322 15.235 ( 2.466 -0.000 -1.024) 2.670 15.257 ( 6.038 -0.000 -10.991) 12.540 16.499 ( -2.579 0.000 1.100) 2.804 17.092 ( 11.791 -0.000 -0.979) 11.831 21.110 ( -2.577 0.000 -1.588) 3.027 21.219 ( 0.191 -0.000 -0.880) 0.900 22.016 ( -16.136 0.000 15.124) 22.115 22.929 ( 8.318 -0.000 3.049) 8.860 23.100 ( -1.336 0.000 -1.603) 2.087 23.234 ( 1.493 -0.000 3.880) 4.157 23.580 ( -10.607 0.000 -7.213) 12.827 23.783 ( -3.884 0.000 0.770) 3.959 ======================= Grid point 328 (162/196) ======================= q-point: ( 0.30 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 8.258 3.773 -1.291) 9.171 1.587 ( 6.002 -1.719 12.974) 14.398 1.644 ( 5.106 4.107 -18.021) 19.176 1.741 ( -0.224 -2.572 -0.757) 2.690 1.859 ( -1.970 -7.347 7.911) 10.975 1.978 ( 5.137 -3.691 -0.682) 6.362 2.914 ( 4.525 3.353 2.733) 6.260 3.372 ( 0.442 1.082 10.776) 10.840 3.670 ( 2.812 1.196 1.224) 3.292 3.905 ( 4.367 -2.118 -8.577) 9.855 4.171 ( -1.984 0.455 -2.394) 3.142 4.213 ( -3.866 -2.685 -1.499) 4.940 4.589 ( -7.257 -1.336 24.785) 25.860 5.251 ( 8.597 0.252 -22.045) 23.663 5.742 ( -2.795 3.043 5.875) 7.182 5.910 ( -0.210 1.769 -5.210) 5.506 6.039 ( -1.760 -1.276 4.334) 4.849 6.088 ( -0.603 -2.808 2.198) 3.617 6.998 ( -2.791 -1.448 9.496) 10.003 7.395 ( 4.242 0.192 -10.435) 11.266 8.154 ( -1.069 -0.136 9.029) 9.093 8.382 ( 5.098 -2.190 -13.720) 14.800 9.080 ( -7.431 2.186 8.282) 11.340 9.444 ( 0.443 1.456 -12.083) 12.178 9.746 ( -0.434 7.442 0.259) 7.459 9.812 ( -1.506 11.598 1.207) 11.758 10.477 ( -0.038 -9.250 1.291) 9.340 10.575 ( -1.063 -12.820 0.792) 12.889 11.747 ( -6.550 -1.289 11.847) 13.598 12.060 ( 0.973 -2.984 -14.618) 14.951 12.592 ( -0.366 0.262 1.692) 1.751 12.736 ( 2.108 0.625 -0.607) 2.281 13.213 ( 2.004 1.855 -1.138) 2.958 13.305 ( 1.370 0.095 -1.135) 1.782 14.646 ( -0.392 0.107 15.242) 15.248 15.023 ( 1.576 -0.155 0.139) 1.590 15.231 ( 3.781 2.091 -5.164) 6.734 15.278 ( 3.534 -0.201 -7.845) 8.606 16.474 ( 0.028 2.339 3.741) 4.412 17.183 ( 9.484 -0.746 -3.310) 10.072 21.089 ( -2.434 -0.374 -0.742) 2.571 21.216 ( -0.539 -0.244 -2.014) 2.099 21.870 ( -12.877 7.445 18.998) 24.128 22.792 ( 2.625 18.095 -5.652) 19.138 23.126 ( 0.770 -1.543 0.899) 1.944 23.216 ( 2.061 3.587 3.137) 5.192 23.523 ( -7.837 -5.213 -3.904) 10.190 23.831 ( -4.473 -7.205 -0.051) 8.481 ======================= Grid point 329 (163/196) ======================= q-point: ( 0.40 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 10.288 4.521 -2.750) 11.570 1.594 ( 9.025 2.803 -16.532) 19.043 1.651 ( -0.688 0.366 12.126) 12.151 1.840 ( 3.117 -6.116 2.215) 7.213 2.015 ( -1.866 -9.469 7.323) 12.115 2.094 ( 2.278 -5.705 0.624) 6.174 2.891 ( 6.784 5.360 2.373) 8.966 3.375 ( 2.508 3.230 7.851) 8.852 3.654 ( -1.826 0.372 -0.906) 2.073 3.953 ( 2.744 -1.507 -4.596) 5.561 4.148 ( -1.912 -0.665 -1.333) 2.424 4.237 ( -4.467 -4.320 -1.771) 6.462 4.635 ( -5.476 -2.779 22.788) 23.601 5.252 ( 7.370 0.944 -20.748) 22.038 5.657 ( -2.070 5.533 4.376) 7.352 5.842 ( 0.833 4.623 -6.469) 7.995 6.080 ( -2.012 -3.122 5.378) 6.536 6.145 ( -0.190 -3.713 0.176) 3.722 7.049 ( -1.403 -3.494 9.590) 10.302 7.397 ( 3.948 0.416 -9.857) 10.627 8.174 ( -0.637 -0.988 5.599) 5.721 8.435 ( 2.306 -3.451 -9.306) 10.190 8.999 ( -5.726 3.227 9.707) 11.723 9.381 ( 0.512 2.509 -12.205) 12.471 9.582 ( -1.929 11.885 1.310) 12.111 9.602 ( 0.166 8.948 0.416) 8.960 10.673 ( 0.148 -11.616 1.748) 11.747 10.805 ( -1.192 -13.573 -0.857) 13.652 11.760 ( -6.214 -2.475 13.305) 14.891 12.101 ( 1.435 -4.766 -15.660) 16.432 12.585 ( -0.118 1.046 2.303) 2.532 12.728 ( 1.708 1.831 -1.316) 2.828 13.184 ( 1.110 2.501 0.412) 2.767 13.309 ( 0.551 -0.060 -1.718) 1.805 14.681 ( 0.460 0.389 13.926) 13.939 15.043 ( 1.393 -0.514 0.991) 1.786 15.195 ( 4.510 3.852 -8.633) 10.475 15.278 ( 0.693 0.253 -4.292) 4.355 16.444 ( 2.443 3.502 6.512) 7.787 17.245 ( 5.412 -0.256 -5.686) 7.854 21.080 ( -2.000 -0.573 1.278) 2.442 21.210 ( -1.069 -0.704 -3.271) 3.513 21.667 ( -8.723 10.396 19.445) 23.713 22.409 ( 0.931 22.033 -13.318) 25.762 23.128 ( 1.616 1.905 -0.129) 2.501 23.204 ( 0.495 0.234 2.188) 2.255 23.588 ( -2.888 -6.609 1.526) 7.373 23.919 ( -4.484 -6.676 -0.764) 8.078 ======================= Grid point 330 (164/196) ======================= q-point: ( 0.50 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 15.292 1.715 -0.848) 15.411 1.585 ( 9.033 4.357 -6.105) 11.741 1.675 ( -2.404 -3.276 4.237) 5.871 1.978 ( 0.472 -6.379 4.946) 8.085 2.180 ( -1.538 -8.121 4.933) 9.625 2.201 ( 1.638 -4.241 -0.135) 4.548 2.840 ( 6.079 7.391 1.454) 9.680 3.313 ( -0.107 6.543 -0.655) 6.577 3.650 ( -2.642 -1.879 4.908) 5.883 3.978 ( 0.815 -0.947 -1.881) 2.258 4.164 ( -0.673 -2.229 0.595) 2.403 4.278 ( -4.977 -5.243 -1.902) 7.475 4.715 ( -3.557 -4.412 18.325) 19.181 5.226 ( 5.371 2.407 -17.779) 18.727 5.547 ( -0.836 6.165 2.252) 6.616 5.730 ( 1.492 6.714 -8.194) 10.697 6.117 ( -3.455 -1.168 8.969) 9.682 6.226 ( 1.681 -5.534 -5.084) 7.700 7.141 ( -0.390 -4.699 8.068) 9.344 7.390 ( 3.377 1.236 -8.103) 8.865 8.215 ( 0.045 -2.586 4.928) 5.566 8.488 ( -0.142 -3.954 -6.659) 7.745 8.934 ( -3.775 2.491 10.752) 11.665 9.300 ( -0.398 3.766 -10.304) 10.978 9.380 ( -0.769 9.277 1.890) 9.499 9.457 ( 0.806 7.592 -2.016) 7.896 10.877 ( 0.210 -10.234 2.716) 10.591 11.011 ( -0.987 -10.982 -2.313) 11.266 11.797 ( -5.819 -2.963 15.242) 16.582 12.162 ( 2.715 -4.823 -16.994) 17.873 12.565 ( -0.132 1.821 2.752) 3.303 12.690 ( 1.092 3.252 -2.039) 3.990 13.156 ( 0.364 1.559 2.412) 2.895 13.308 ( -0.322 -0.278 -1.989) 2.034 14.711 ( 0.539 0.639 11.831) 11.861 15.065 ( 0.083 -0.621 0.441) 0.766 15.128 ( 4.875 5.031 -8.687) 11.160 15.263 ( -0.720 0.358 -2.588) 2.710 16.434 ( 4.898 3.167 8.836) 10.587 17.243 ( 0.024 1.138 -8.277) 8.355 21.081 ( -1.345 -0.331 3.911) 4.149 21.208 ( -1.173 -0.978 -3.374) 3.704 21.488 ( -4.993 8.056 15.304) 18.002 22.017 ( 1.519 18.171 -15.785) 24.117 23.110 ( 2.565 2.080 0.259) 3.312 23.203 ( -1.157 0.104 0.860) 1.445 23.695 ( 0.182 -5.652 3.399) 6.598 23.982 ( -4.142 -4.863 -1.389) 6.537 ======================= Grid point 331 (165/196) ======================= q-point: ( 0.60 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 12.895 2.812 -0.072) 13.198 1.560 ( 8.290 4.282 6.766) 11.526 1.757 ( 2.805 -5.416 -3.898) 7.239 2.089 ( -4.648 -6.136 5.322) 9.359 2.256 ( 1.212 -1.444 0.080) 1.887 2.287 ( -0.909 -3.264 0.861) 3.496 2.735 ( 4.905 9.467 0.463) 10.673 3.144 ( -7.399 7.506 -5.632) 11.950 3.698 ( 0.072 -2.075 9.444) 9.670 3.999 ( 0.588 -1.193 -1.776) 2.219 4.204 ( -1.848 -2.205 5.111) 5.865 4.331 ( -3.469 -5.207 -1.963) 6.558 4.826 ( -1.558 -5.914 11.442) 12.974 5.157 ( 2.509 4.806 -11.899) 13.076 5.457 ( 0.863 3.734 -0.680) 3.892 5.604 ( 1.842 5.820 -9.842) 11.582 6.119 ( -3.969 0.062 11.077) 11.767 6.325 ( 3.139 -5.011 -9.508) 11.197 7.233 ( -0.005 -3.564 4.796) 5.975 7.362 ( 1.941 2.700 -4.588) 5.667 8.288 ( 1.018 -3.251 5.881) 6.796 8.536 ( -1.158 -3.740 -5.357) 6.636 8.911 ( -2.449 0.334 10.643) 10.926 9.182 ( -2.895 5.335 0.403) 6.084 9.273 ( 1.934 3.658 -6.351) 7.579 9.349 ( 1.560 4.477 -4.085) 6.259 11.035 ( 0.060 -6.339 3.582) 7.281 11.153 ( -0.427 -6.277 -3.199) 7.058 11.842 ( -5.664 -2.619 16.907) 18.022 12.220 ( 4.578 -3.421 -18.079) 18.961 12.538 ( -0.382 1.636 2.886) 3.339 12.629 ( 0.298 3.301 -2.271) 4.018 13.151 ( 0.306 0.376 3.910) 3.940 13.302 ( -1.115 -0.220 -2.075) 2.366 14.729 ( 0.002 0.710 9.718) 9.744 15.014 ( -0.466 4.095 -7.457) 8.520 15.113 ( 3.495 0.326 0.549) 3.553 15.244 ( -0.658 0.276 -2.837) 2.926 16.463 ( 7.275 2.039 10.200) 12.693 17.163 ( -5.277 2.523 -10.631) 12.134 21.090 ( -0.814 -0.260 6.051) 6.111 21.206 ( -1.256 -0.693 -0.892) 1.689 21.396 ( -2.047 2.575 8.120) 8.761 21.740 ( 2.483 9.997 -14.911) 18.123 23.093 ( 1.605 2.337 2.617) 3.859 23.192 ( -0.913 -0.080 -1.529) 1.783 23.798 ( 2.013 -3.768 3.687) 5.643 24.016 ( -3.821 -3.207 -2.096) 5.411 ======================= Grid point 332 (166/196) ======================= q-point: (-0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 2.221 8.881 9.164) 12.953 1.621 ( 10.042 1.819 -2.583) 10.527 1.873 ( 9.348 -1.788 -1.006) 9.571 2.116 ( -10.625 -1.912 3.183) 11.255 2.269 ( 2.232 2.108 -2.254) 3.808 2.281 ( -3.643 1.846 0.792) 4.160 2.635 ( 7.872 5.968 1.458) 9.985 2.935 ( -11.550 4.127 -6.651) 13.952 3.755 ( 0.682 -0.659 10.660) 10.702 4.010 ( 0.859 -0.076 -4.589) 4.669 4.230 ( -4.454 -1.430 10.100) 11.130 4.382 ( -0.133 -2.293 -1.417) 2.699 4.931 ( -1.158 -2.316 5.108) 5.727 5.056 ( 1.455 3.291 -6.629) 7.543 5.445 ( 2.124 -1.838 -3.176) 4.240 5.527 ( 1.782 1.165 -9.517) 9.752 6.116 ( -3.693 0.151 12.375) 12.915 6.387 ( 3.685 -1.622 -12.416) 13.052 7.283 ( 0.602 -1.164 0.462) 1.389 7.305 ( -0.180 3.707 -0.423) 3.736 8.355 ( 1.084 -0.381 7.979) 8.062 8.564 ( -0.966 -1.812 -5.837) 6.188 8.939 ( -2.237 -2.740 9.947) 10.557 9.109 ( -2.641 0.079 3.234) 4.177 9.229 ( 2.359 1.254 -6.406) 6.941 9.316 ( 2.095 -0.627 -6.258) 6.629 11.107 ( -0.526 -0.581 4.141) 4.215 11.200 ( 0.455 -0.037 -3.613) 3.642 11.879 ( -5.855 -1.570 17.705) 18.714 12.258 ( 6.251 -1.164 -18.422) 19.489 12.524 ( -0.463 0.115 2.590) 2.634 12.583 ( -0.082 1.073 -2.098) 2.358 13.163 ( 0.574 0.085 4.641) 4.678 13.284 ( -1.719 0.265 -2.258) 2.850 14.736 ( -1.377 0.693 8.456) 8.596 14.922 ( -0.156 3.437 -6.702) 7.533 15.138 ( 1.400 -0.204 1.865) 2.341 15.231 ( 0.684 0.103 -4.111) 4.169 16.533 ( 9.032 0.839 10.530) 13.898 17.020 ( -8.842 3.293 -11.945) 15.222 21.107 ( -1.386 -0.560 7.202) 7.355 21.221 ( -0.080 -2.222 -0.502) 2.279 21.392 ( -1.532 -1.556 5.638) 6.046 21.644 ( 3.800 -0.542 -13.729) 14.256 23.070 ( 0.031 1.983 4.844) 5.234 23.181 ( -0.011 0.205 -3.658) 3.664 23.876 ( 2.579 -1.797 4.045) 5.123 24.023 ( -3.277 -1.786 -3.077) 4.837 ======================= Grid point 333 (167/196) ======================= q-point: (-0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 1.421 8.400 14.944) 17.202 1.606 ( 3.562 3.761 -12.928) 13.927 1.914 ( 8.356 7.296 4.700) 12.048 1.997 ( -13.668 3.640 -0.977) 14.178 2.178 ( -3.234 4.717 0.721) 5.765 2.200 ( 3.269 7.175 -2.904) 8.402 2.691 ( 5.003 -2.919 5.269) 7.830 2.830 ( -4.780 -3.450 -7.215) 9.317 3.777 ( -0.515 1.552 10.515) 10.641 3.990 ( 1.338 1.455 -7.331) 7.593 4.234 ( -4.934 -0.385 10.698) 11.787 4.392 ( 1.935 1.512 -1.443) 2.848 4.853 ( -5.401 6.180 9.277) 12.387 5.095 ( 5.994 -3.181 -12.680) 14.382 5.518 ( -0.389 -4.889 -1.653) 5.176 5.566 ( 3.411 -6.290 -7.375) 10.276 6.117 ( -3.104 0.223 12.180) 12.572 6.370 ( 2.794 3.111 -11.037) 11.803 7.231 ( -2.204 3.768 2.075) 4.833 7.296 ( 2.254 0.090 -3.994) 4.587 8.339 ( -1.519 4.636 11.006) 12.039 8.548 ( 0.937 1.468 -8.583) 8.758 9.019 ( -3.888 -5.836 9.591) 11.881 9.164 ( -0.937 -6.837 2.354) 7.292 9.247 ( 3.417 -2.459 -3.629) 5.558 9.362 ( 1.637 -4.505 -7.596) 8.982 11.065 ( -1.815 5.410 4.056) 7.001 11.145 ( 1.773 6.068 -3.494) 7.223 11.888 ( -6.266 0.025 17.292) 18.392 12.265 ( 6.886 1.184 -17.813) 19.134 12.543 ( -0.120 -1.773 1.992) 2.669 12.583 ( 0.217 -1.540 -1.901) 2.456 13.176 ( 0.275 0.374 4.744) 4.767 13.253 ( -1.460 0.845 -2.501) 3.017 14.718 ( -4.518 1.238 8.671) 9.856 14.874 ( 2.540 0.840 -6.169) 6.725 15.149 ( -0.745 -0.127 2.310) 2.431 15.232 ( 2.717 0.058 -5.102) 5.780 16.627 ( 7.739 -0.027 9.889) 12.557 16.857 ( -7.679 3.118 -11.465) 14.147 21.122 ( -2.129 -0.653 7.274) 7.607 21.264 ( 1.624 -1.753 -4.800) 5.362 21.468 ( -4.628 -8.070 11.431) 14.739 21.748 ( 5.829 -10.609 -13.818) 18.370 23.054 ( -0.625 0.980 5.450) 5.573 23.161 ( 0.472 1.107 -4.407) 4.569 23.921 ( 0.013 -0.476 4.678) 4.702 24.012 ( -0.867 -0.226 -3.984) 4.084 ======================= Grid point 334 (168/196) ======================= q-point: (-0.10 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 1.571 4.492 17.241) 17.886 1.505 ( 1.073 4.692 -15.442) 16.174 1.771 ( -6.032 8.915 1.280) 10.840 1.832 ( -1.832 5.633 -1.132) 6.030 2.083 ( 3.186 8.337 1.459) 9.043 2.095 ( 0.857 4.751 -0.781) 4.890 2.764 ( -6.045 -5.683 2.266) 8.601 2.951 ( 9.243 -6.767 -2.454) 11.715 3.744 ( -2.217 3.805 9.498) 10.469 3.950 ( 2.419 2.383 -8.185) 8.861 4.223 ( -3.596 0.043 6.839) 7.727 4.361 ( 2.211 3.209 -2.053) 4.404 4.734 ( -7.582 4.608 15.997) 18.292 5.152 ( 8.095 -1.392 -18.136) 19.909 5.608 ( -2.158 -6.503 1.515) 7.017 5.718 ( 3.536 -8.439 -6.338) 11.130 6.115 ( -2.403 0.946 9.885) 10.217 6.276 ( 0.922 6.288 -5.968) 8.718 7.149 ( -3.796 3.349 3.425) 6.112 7.309 ( 4.393 -0.268 -7.604) 8.786 8.249 ( -3.546 5.900 12.165) 13.978 8.490 ( 2.845 3.674 -10.771) 11.731 9.106 ( -6.403 -5.773 8.570) 12.156 9.316 ( 2.660 -8.421 -3.510) 9.503 9.363 ( 2.734 -7.858 3.053) 8.862 9.454 ( 0.230 -7.285 -7.233) 10.268 10.916 ( -2.898 9.872 2.996) 10.716 11.006 ( 2.556 10.674 -2.501) 11.257 11.867 ( -6.421 1.230 15.872) 17.166 12.238 ( 6.332 2.972 -16.798) 18.196 12.584 ( -0.527 -2.308 1.070) 2.598 12.620 ( 1.179 -2.165 -1.352) 2.811 13.172 ( -1.856 0.400 2.961) 3.518 13.233 ( 1.522 0.573 -1.080) 1.952 14.670 ( -6.452 1.383 9.852) 11.858 14.897 ( 5.092 -1.230 -6.103) 8.042 15.147 ( -1.146 -0.274 1.554) 1.950 15.242 ( 3.578 0.378 -5.116) 6.254 16.643 ( -9.304 0.108 -0.644) 9.327 16.803 ( 10.925 1.405 -0.173) 11.016 21.134 ( -2.246 -0.708 6.282) 6.709 21.271 ( 1.614 0.668 -6.486) 6.718 21.660 ( -9.002 -15.417 15.129) 23.401 22.020 ( 7.464 -17.259 -13.001) 22.860 23.055 ( -0.458 -0.222 4.394) 4.423 23.132 ( 1.113 1.547 -3.415) 3.911 23.904 ( -5.991 0.695 1.925) 6.331 24.004 ( 3.135 1.676 -1.306) 3.788 ======================= Grid point 338 (169/196) ======================= q-point: ( 0.30 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 13.363 -0.000 -2.765) 13.646 1.633 ( 2.326 -0.000 10.393) 10.650 1.671 ( -0.744 0.000 -10.780) 10.806 1.709 ( 0.935 -0.000 -0.369) 1.005 1.800 ( 2.597 -0.000 4.462) 5.162 1.986 ( 4.099 -0.000 -1.475) 4.357 3.003 ( 7.295 -0.000 3.959) 8.300 3.399 ( -2.212 0.000 14.846) 15.010 3.727 ( 3.470 -0.000 0.065) 3.471 3.889 ( 4.573 -0.000 -11.976) 12.820 4.135 ( -5.572 0.000 -1.427) 5.752 4.163 ( -1.617 0.000 -2.333) 2.838 4.588 ( -6.358 0.000 26.090) 26.853 5.264 ( 8.200 -0.000 -22.733) 24.167 5.764 ( -2.416 0.000 6.345) 6.790 5.908 ( 0.006 -0.000 -4.343) 4.343 6.040 ( -1.425 0.000 1.742) 2.251 6.049 ( -1.371 0.000 5.373) 5.545 6.992 ( -2.036 0.000 10.524) 10.719 7.400 ( 3.888 -0.000 -11.509) 12.148 8.169 ( -1.995 0.000 10.362) 10.552 8.371 ( 6.180 -0.000 -16.351) 17.480 9.065 ( -6.353 0.000 9.121) 11.116 9.427 ( 0.256 -0.000 -12.342) 12.344 9.813 ( -1.124 0.000 -0.412) 1.197 9.920 ( -2.582 0.000 -0.698) 2.674 10.400 ( 0.736 -0.000 2.137) 2.261 10.424 ( -1.197 0.000 1.825) 2.182 11.710 ( -6.406 0.000 11.053) 12.776 12.001 ( 0.505 -0.000 -13.743) 13.752 12.600 ( 0.297 -0.000 2.484) 2.502 12.755 ( 1.828 -0.000 -1.115) 2.141 13.245 ( 2.333 -0.000 -2.206) 3.211 13.311 ( 0.552 -0.000 -1.531) 1.628 14.691 ( 0.647 -0.000 16.044) 16.057 15.033 ( 0.923 -0.000 1.124) 1.455 15.261 ( 1.257 -0.000 -1.257) 1.778 15.289 ( 5.497 -0.000 -12.892) 14.015 16.525 ( 3.298 -0.000 6.472) 7.264 17.233 ( 6.959 -0.000 -6.050) 9.222 21.063 ( -1.888 0.000 -1.508) 2.416 21.199 ( -1.914 0.000 -2.005) 2.772 21.899 ( -9.484 0.000 23.033) 24.909 23.021 ( 0.647 -0.000 1.162) 1.330 23.085 ( 0.405 -0.000 -1.256) 1.320 23.268 ( -2.499 0.000 -1.017) 2.698 23.378 ( -4.126 0.000 -6.246) 7.486 23.714 ( -4.530 0.000 -0.066) 4.530 ======================= Grid point 339 (170/196) ======================= q-point: ( 0.40 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 10.692 5.383 -1.870) 12.116 1.630 ( 0.481 1.015 -5.897) 6.003 1.717 ( 3.377 1.776 4.809) 6.138 1.743 ( 1.492 -7.739 0.386) 7.891 1.891 ( 2.491 -5.268 4.127) 7.141 2.034 ( 2.007 -3.126 -0.516) 3.751 3.046 ( 8.380 3.898 4.703) 10.370 3.431 ( -1.020 -0.677 14.662) 14.713 3.685 ( -0.745 4.413 -4.807) 6.568 3.929 ( 3.744 -2.595 -8.907) 10.004 4.107 ( -3.583 -1.513 -1.421) 4.141 4.147 ( -2.961 -0.945 -1.649) 3.519 4.620 ( -5.269 -1.268 25.713) 26.278 5.267 ( 7.395 0.337 -22.632) 23.812 5.732 ( -2.167 3.221 5.970) 7.122 5.886 ( 0.618 1.729 -5.533) 5.830 6.037 ( -1.027 -1.291 4.135) 4.452 6.086 ( -1.405 -2.924 3.320) 4.642 7.021 ( -1.228 -1.642 11.083) 11.271 7.402 ( 3.901 -0.119 -12.023) 12.640 8.175 ( -2.081 -0.098 8.315) 8.572 8.390 ( 4.586 -1.298 -14.018) 14.806 9.027 ( -4.818 1.810 10.288) 11.503 9.386 ( 0.430 1.303 -12.481) 12.556 9.732 ( -0.883 7.047 -0.967) 7.167 9.780 ( -2.674 10.446 0.697) 10.805 10.494 ( 1.117 -8.877 1.207) 9.028 10.556 ( -1.667 -12.234 1.295) 12.415 11.704 ( -5.914 -1.725 11.612) 13.145 11.999 ( 0.936 -3.121 -13.904) 14.280 12.608 ( 0.583 0.496 3.148) 3.240 12.759 ( 1.369 0.713 -1.756) 2.338 13.238 ( 1.599 2.051 -1.432) 2.969 13.307 ( 0.041 0.114 -2.162) 2.165 14.736 ( 0.988 0.493 15.383) 15.423 15.045 ( 0.552 -0.328 1.457) 1.592 15.258 ( 1.980 1.059 -3.845) 4.452 15.284 ( 3.092 1.362 -10.199) 10.744 16.557 ( 5.681 2.721 9.160) 11.116 17.259 ( 3.100 -0.046 -8.457) 9.008 21.054 ( -1.149 -0.727 -0.656) 1.510 21.177 ( -2.865 -0.478 -2.404) 3.771 21.830 ( -5.428 7.794 24.564) 26.336 22.751 ( -2.491 20.047 -10.421) 22.731 23.136 ( -0.225 -1.552 1.171) 1.957 23.225 ( -2.099 0.552 -1.544) 2.664 23.452 ( 1.169 -7.002 0.575) 7.122 23.747 ( -5.053 -6.920 -1.165) 8.648 ======================= Grid point 340 (171/196) ======================= q-point: ( 0.50 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 10.898 1.629 -0.177) 11.020 1.621 ( -1.043 -1.028 -0.754) 1.647 1.704 ( 4.319 3.138 0.190) 5.342 1.892 ( 3.198 -5.696 -2.827) 7.118 2.034 ( -0.633 -8.222 7.771) 11.331 2.127 ( 1.646 -5.420 -0.264) 5.671 3.026 ( 6.458 6.826 5.315) 10.796 3.426 ( -0.710 5.964 1.254) 6.136 3.613 ( -2.527 -1.129 4.288) 5.103 3.965 ( 1.690 -1.003 -5.365) 5.714 4.120 ( -0.188 -2.051 -1.782) 2.723 4.148 ( -4.888 -3.593 -1.779) 6.321 4.678 ( -4.276 -2.489 23.346) 23.865 5.253 ( 6.112 1.161 -21.463) 22.347 5.653 ( -1.462 5.445 4.938) 7.495 5.821 ( 1.018 4.570 -7.038) 8.453 6.078 ( -1.919 -2.392 5.827) 6.585 6.144 ( -0.054 -4.128 0.310) 4.140 7.088 ( -0.523 -3.489 10.576) 11.149 7.405 ( 3.939 0.024 -11.641) 12.290 8.192 ( -1.491 -1.454 6.941) 7.246 8.415 ( 2.020 -2.214 -10.761) 11.170 8.981 ( -3.221 2.633 11.406) 12.141 9.324 ( 0.413 2.495 -12.259) 12.517 9.553 ( -2.401 10.669 2.246) 11.164 9.601 ( 0.327 8.568 -1.762) 8.753 10.692 ( 0.683 -11.396 2.267) 11.639 10.777 ( -1.375 -13.423 -1.109) 13.539 11.733 ( -5.419 -3.072 13.251) 14.642 12.049 ( 2.180 -5.116 -14.948) 15.949 12.605 ( 0.575 1.438 3.611) 3.929 12.739 ( 0.760 1.994 -2.490) 3.280 13.203 ( 0.652 2.492 0.845) 2.711 13.297 ( -0.419 0.116 -2.786) 2.820 14.768 ( 0.889 1.122 13.738) 13.813 15.057 ( -0.123 -0.331 0.395) 0.530 15.226 ( 4.947 4.020 -10.350) 12.155 15.254 ( -1.407 0.300 -2.008) 2.470 16.578 ( 7.541 3.890 11.582) 14.357 17.230 ( -1.927 1.192 -10.837) 11.071 21.064 ( -1.005 -1.088 1.893) 2.403 21.164 ( -2.032 -1.417 -3.231) 4.071 21.679 ( -2.990 11.600 21.785) 24.861 22.328 ( -1.247 20.836 -15.886) 26.231 23.154 ( 1.582 0.090 -0.236) 1.602 23.201 ( -1.348 0.741 0.967) 1.817 23.596 ( 1.777 -7.100 3.284) 8.022 23.831 ( -5.009 -7.240 -2.149) 9.062 ======================= Grid point 341 (172/196) ======================= q-point: ( 0.60 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 3.105 -0.149 2.368) 3.908 1.631 ( 3.286 -0.350 0.334) 3.322 1.732 ( 7.997 -2.172 0.912) 8.336 1.971 ( -1.841 -3.714 -2.186) 4.687 2.186 ( -0.911 -6.916 4.888) 8.517 2.231 ( 2.228 -4.203 -0.857) 4.834 2.943 ( 3.981 8.881 5.434) 11.147 3.231 ( -6.105 10.160 -7.373) 13.959 3.684 ( 1.245 -3.182 11.047) 11.563 3.978 ( 0.811 -0.944 -3.294) 3.522 4.145 ( -3.819 -2.689 0.628) 4.713 4.201 ( -0.515 -5.736 -2.943) 6.468 4.758 ( -3.216 -3.928 18.750) 19.425 5.211 ( 4.300 2.680 -18.342) 19.029 5.553 ( -0.184 5.906 3.144) 6.693 5.708 ( 1.291 6.733 -8.841) 11.187 6.103 ( -3.860 -1.097 8.784) 9.657 6.236 ( 2.547 -5.458 -4.824) 7.717 7.179 ( -0.304 -4.045 8.295) 9.234 7.399 ( 3.231 1.090 -9.562) 10.152 8.244 ( -1.045 -3.550 7.343) 8.223 8.448 ( 0.503 -3.211 -8.514) 9.113 8.947 ( -1.990 2.169 11.925) 12.283 9.238 ( -0.709 3.967 -9.279) 10.116 9.377 ( -0.490 7.954 1.599) 8.128 9.457 ( 1.118 7.405 -3.552) 8.288 10.896 ( -0.209 -10.161 3.626) 10.790 10.984 ( -0.271 -11.133 -3.004) 11.534 11.785 ( -5.249 -3.402 15.284) 16.514 12.128 ( 3.980 -5.450 -16.469) 17.798 12.584 ( 0.367 2.380 3.709) 4.423 12.687 ( 0.027 3.423 -2.924) 4.502 13.177 ( 0.324 1.245 3.356) 3.594 13.283 ( -0.972 -0.046 -3.025) 3.178 14.782 ( 0.403 1.669 11.800) 11.924 15.040 ( -1.023 1.709 -4.820) 5.215 15.170 ( 2.383 2.916 -2.833) 4.712 15.237 ( 0.259 0.306 -3.643) 3.665 16.613 ( 8.934 3.492 13.268) 16.372 17.128 ( -6.533 2.667 -13.129) 14.905 21.079 ( -2.401 -1.067 5.165) 5.795 21.178 ( 0.641 -1.653 -3.776) 4.171 21.516 ( -1.765 9.551 16.069) 18.776 21.950 ( 0.814 16.311 -16.714) 23.368 23.153 ( 1.194 2.276 1.326) 2.892 23.182 ( -0.506 -0.130 -0.586) 0.786 23.740 ( 2.316 -5.900 4.620) 7.843 23.899 ( -4.008 -5.526 -2.999) 7.457 ======================= Grid point 342 (173/196) ======================= q-point: (-0.30 -0.70 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -5.293 3.002 6.600) 8.977 1.676 ( 7.422 1.385 -6.584) 10.017 1.895 ( 0.694 -6.973 6.260) 9.397 1.996 ( 0.202 -2.262 -1.653) 2.809 2.276 ( 0.598 -2.584 0.520) 2.703 2.286 ( 1.301 -0.472 -1.099) 1.767 2.822 ( 1.197 8.511 5.512) 10.211 2.970 ( -5.447 10.323 -7.612) 13.935 3.771 ( 1.424 -1.749 10.843) 11.075 3.994 ( 0.921 -0.971 -5.291) 5.458 4.164 ( -6.332 -3.212 6.871) 9.880 4.309 ( 2.352 -5.877 -2.341) 6.749 4.860 ( -1.787 -5.224 11.904) 13.122 5.131 ( 2.080 4.794 -12.228) 13.298 5.474 ( 1.226 3.595 0.151) 3.801 5.579 ( 1.728 5.665 -10.402) 11.970 6.109 ( -4.315 -0.660 11.028) 11.861 6.335 ( 4.094 -4.289 -9.730) 11.395 7.256 ( -0.312 -2.739 4.647) 5.403 7.365 ( 1.477 2.874 -5.380) 6.276 8.328 ( -1.546 -4.343 8.126) 9.342 8.492 ( 0.604 -3.522 -7.030) 7.887 8.937 ( -1.562 0.773 11.606) 11.736 9.134 ( -1.974 4.067 -2.393) 5.115 9.278 ( 1.591 3.941 -3.100) 5.261 9.351 ( 1.755 4.345 -5.433) 7.174 11.049 ( -1.244 -6.259 4.332) 7.713 11.136 ( 1.027 -6.553 -3.837) 7.663 11.838 ( -5.488 -2.700 16.969) 18.038 12.210 ( 5.627 -4.185 -17.901) 19.225 12.552 ( 0.120 2.240 3.310) 3.999 12.616 ( -0.249 3.172 -2.607) 4.113 13.181 ( 0.291 0.090 4.930) 4.940 13.266 ( -1.260 -0.010 -2.934) 3.193 14.777 ( -0.721 2.056 10.145) 10.376 14.962 ( -0.776 3.516 -7.373) 8.205 15.151 ( -0.505 0.554 1.953) 2.092 15.231 ( 2.281 0.140 -5.069) 5.560 16.670 ( 8.422 2.493 13.759) 16.323 16.974 ( -7.847 3.330 -14.563) 16.874 21.090 ( -3.568 -1.163 6.652) 7.637 21.204 ( 2.057 -0.727 -1.479) 2.636 21.418 ( -0.899 3.909 8.935) 9.794 21.701 ( 2.482 8.234 -15.251) 17.509 23.110 ( -2.489 2.129 4.036) 5.198 23.189 ( 2.787 0.397 -3.372) 4.393 23.851 ( -0.233 -3.725 5.514) 6.658 23.949 ( -0.456 -3.599 -3.948) 5.361 ======================= Grid point 343 (174/196) ======================= q-point: (-0.20 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -4.184 4.749 8.161) 10.328 1.648 ( 2.563 4.338 -9.267) 10.548 1.879 ( -17.146 -1.836 -0.245) 17.246 2.109 ( 11.520 0.852 4.219) 12.298 2.232 ( -3.010 4.747 1.431) 5.800 2.315 ( 4.995 1.732 -2.214) 5.732 2.674 ( -9.801 3.277 -1.289) 10.415 2.844 ( 9.766 3.732 -0.032) 10.455 3.816 ( -0.482 0.257 9.278) 9.294 3.994 ( 1.417 -0.006 -7.746) 7.875 4.188 ( -6.569 -2.525 12.059) 13.963 4.406 ( 3.043 -2.362 -1.004) 3.981 4.926 ( -2.522 1.883 5.066) 5.964 5.057 ( 2.722 -0.562 -6.341) 6.924 5.458 ( 0.939 -0.904 -2.863) 3.146 5.513 ( 3.051 -0.010 -9.738) 10.205 6.116 ( -4.085 -0.657 12.344) 13.019 6.387 ( 4.275 -0.664 -12.495) 13.223 7.290 ( -0.396 1.292 0.287) 1.382 7.302 ( 0.365 1.870 -0.508) 1.972 8.378 ( -4.230 -0.675 7.717) 8.827 8.540 ( 2.573 -1.932 -5.462) 6.339 8.951 ( -3.082 -1.100 10.488) 10.987 9.089 ( -0.873 -1.385 1.224) 2.044 9.243 ( 2.391 0.670 -3.706) 4.461 9.314 ( 2.050 -0.347 -7.755) 8.029 11.105 ( -2.221 -0.256 4.069) 4.643 11.203 ( 2.046 -0.465 -3.600) 4.167 11.872 ( -6.050 -1.217 17.625) 18.674 12.267 ( 6.286 -1.834 -18.458) 19.585 12.534 ( -0.060 0.469 2.285) 2.334 12.574 ( 0.552 0.722 -1.923) 2.127 13.192 ( -1.093 0.224 4.495) 4.631 13.251 ( 0.062 0.206 -1.717) 1.730 14.745 ( -3.253 2.694 8.804) 9.765 14.897 ( 1.520 1.625 -5.718) 6.136 15.142 ( -1.774 -0.026 1.535) 2.346 15.242 ( 3.220 -0.126 -5.080) 6.016 16.686 ( -5.346 2.408 4.697) 7.513 16.866 ( 5.914 2.105 -6.022) 8.698 21.097 ( -3.904 -1.292 6.873) 8.009 21.234 ( 1.506 -1.380 -0.368) 2.076 21.401 ( -1.239 -0.483 5.850) 5.999 21.635 ( 4.120 -2.238 -14.015) 14.779 23.069 ( -2.986 0.989 4.508) 5.497 23.189 ( 3.159 1.314 -3.914) 5.198 23.888 ( -4.805 -1.729 3.747) 6.334 24.004 ( 3.906 -1.624 -2.154) 4.747 ======================= Grid point 344 (175/196) ======================= q-point: (-0.10 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -3.224 4.525 9.108) 10.668 1.528 ( -2.226 4.538 -14.550) 15.403 1.748 ( -11.270 2.094 -1.577) 11.571 2.036 ( -0.086 11.589 7.681) 13.904 2.178 ( 3.177 2.769 0.485) 4.242 2.271 ( 4.785 7.318 1.017) 8.803 2.624 ( -4.694 -4.659 -3.663) 7.561 2.944 ( 11.290 -3.256 2.509) 12.015 3.800 ( -2.593 2.273 6.356) 7.231 3.981 ( 2.191 1.084 -6.561) 7.001 4.200 ( -5.140 -0.987 10.599) 11.821 4.427 ( 2.242 2.070 -0.892) 3.179 4.815 ( -4.958 6.450 9.363) 12.404 5.129 ( 5.861 -3.476 -12.091) 13.879 5.494 ( -0.974 -4.343 -2.177) 4.955 5.591 ( 3.868 -6.804 -7.179) 10.621 6.126 ( -3.550 -0.235 11.981) 12.498 6.357 ( 2.615 3.777 -10.836) 11.769 7.208 ( -1.885 4.727 2.527) 5.682 7.316 ( 2.439 -0.602 -3.621) 4.407 8.324 ( -5.475 3.644 7.124) 9.696 8.551 ( 3.397 2.176 -5.155) 6.546 8.984 ( -5.752 -3.935 8.766) 11.199 9.176 ( 0.719 -7.468 2.440) 7.890 9.287 ( 2.866 -4.184 -1.708) 5.351 9.345 ( 1.661 -3.561 -9.364) 10.155 11.043 ( -2.678 5.887 3.291) 7.256 11.166 ( 2.298 5.656 -2.938) 6.776 11.871 ( -6.537 0.486 16.984) 18.205 12.279 ( 6.003 0.836 -18.071) 19.060 12.547 ( -0.517 -1.455 1.002) 1.840 12.591 ( 1.631 -1.802 -1.203) 2.712 13.171 ( -2.759 0.827 1.980) 3.495 13.257 ( 2.202 0.240 0.970) 2.418 14.684 ( -4.763 2.557 8.742) 10.278 14.903 ( 4.170 -0.804 -4.520) 6.202 15.133 ( -1.704 -0.347 0.595) 1.838 15.258 ( 3.119 -0.131 -4.919) 5.826 16.563 ( -11.129 1.540 -3.812) 11.864 16.933 ( 13.196 1.012 2.873) 13.543 21.108 ( -3.655 -1.414 6.625) 7.698 21.264 ( 1.116 -0.966 -4.263) 4.511 21.450 ( -4.580 -5.852 10.632) 12.972 21.769 ( 5.486 -12.197 -14.101) 19.435 23.051 ( -2.085 -0.136 3.490) 4.067 23.176 ( 3.052 1.887 -2.829) 4.569 23.863 ( -6.218 0.177 2.139) 6.578 24.047 ( 3.583 0.181 -0.354) 3.605 ======================= Grid point 349 (176/196) ======================= q-point: ( 0.40 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -9.539 0.000 9.023) 13.131 1.621 ( 2.690 -0.000 -9.793) 10.155 1.660 ( 11.675 -0.000 1.102) 11.727 1.769 ( 1.778 -0.000 4.375) 4.723 1.895 ( 7.002 -0.000 -1.348) 7.130 2.014 ( 1.257 -0.000 -2.878) 3.141 3.176 ( 10.018 -0.000 5.614) 11.483 3.442 ( -2.724 0.000 17.402) 17.614 3.705 ( -5.427 0.000 -4.856) 7.283 3.896 ( 4.605 -0.000 -14.373) 15.092 4.068 ( -1.194 0.000 0.303) 1.232 4.119 ( -2.516 0.000 -1.068) 2.733 4.635 ( -4.958 0.000 26.699) 27.155 5.269 ( 6.989 -0.000 -23.525) 24.541 5.760 ( -2.141 0.000 6.385) 6.734 5.893 ( 1.000 -0.000 -5.065) 5.162 6.035 ( -0.521 0.000 2.734) 2.784 6.049 ( -1.989 0.000 5.600) 5.942 7.027 ( -0.970 0.000 11.678) 11.718 7.399 ( 4.011 -0.000 -13.576) 14.156 8.172 ( -3.890 0.000 9.346) 10.124 8.385 ( 5.638 -0.000 -15.531) 16.523 9.036 ( -3.635 0.000 10.967) 11.553 9.369 ( 0.675 -0.000 -12.650) 12.668 9.794 ( -0.583 0.000 -0.756) 0.955 9.862 ( -3.375 0.000 -1.350) 3.635 10.421 ( -0.532 0.000 2.298) 2.359 10.422 ( 0.528 -0.000 1.815) 1.890 11.671 ( -5.171 0.000 11.008) 12.162 11.944 ( 1.280 -0.000 -13.039) 13.102 12.627 ( 0.881 -0.000 3.798) 3.899 12.769 ( 0.915 -0.000 -2.438) 2.604 13.265 ( 1.450 -0.000 -2.329) 2.744 13.301 ( -0.511 0.000 -1.929) 1.996 14.789 ( 0.933 -0.000 15.526) 15.554 15.049 ( 0.246 -0.000 1.242) 1.266 15.257 ( -1.054 0.000 -1.190) 1.590 15.305 ( 4.616 -0.000 -12.661) 13.476 16.664 ( 7.345 -0.000 11.116) 13.324 17.248 ( 0.057 -0.000 -10.581) 10.581 21.040 ( -0.004 0.000 -1.021) 1.021 21.137 ( -4.020 0.000 -1.938) 4.463 21.953 ( -0.380 0.000 28.189) 28.191 22.923 ( -9.591 0.000 -10.473) 14.201 23.098 ( 1.818 -0.000 -1.313) 2.242 23.150 ( -3.478 0.000 -3.702) 5.080 23.428 ( 5.356 -0.000 1.899) 5.683 23.637 ( -4.493 0.000 -0.847) 4.572 ======================= Grid point 350 (177/196) ======================= q-point: ( 0.50 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -8.026 0.568 9.442) 12.405 1.624 ( 3.363 -0.672 -5.235) 6.258 1.761 ( -1.714 1.309 3.793) 4.364 1.824 ( 9.487 -5.384 -4.245) 11.705 1.966 ( 4.180 -2.187 0.392) 4.734 2.050 ( 1.754 -3.872 -2.834) 5.109 3.212 ( 7.081 5.966 7.755) 12.078 3.492 ( -0.746 -0.088 10.674) 10.700 3.590 ( -6.682 2.030 -2.470) 7.407 3.926 ( 3.037 -2.643 -13.177) 13.778 4.077 ( -0.410 -0.922 0.343) 1.066 4.095 ( -1.852 -0.200 -0.575) 1.949 4.674 ( -4.764 -1.098 25.897) 26.355 5.258 ( 6.215 0.441 -23.591) 24.400 5.731 ( -1.871 3.125 6.238) 7.223 5.871 ( 1.162 2.082 -5.859) 6.326 6.048 ( -0.405 -1.221 4.211) 4.403 6.077 ( -1.849 -2.945 3.688) 5.069 7.066 ( -0.607 -1.757 11.623) 11.770 7.400 ( 4.185 -0.404 -14.384) 14.986 8.168 ( -4.288 -0.902 8.908) 9.928 8.392 ( 4.658 -0.220 -13.779) 14.547 9.026 ( -2.487 1.530 11.745) 12.102 9.331 ( 0.871 1.358 -12.672) 12.774 9.711 ( -1.686 8.249 0.961) 8.474 9.746 ( -0.583 7.785 -1.543) 7.958 10.517 ( -0.265 -8.843 2.325) 9.148 10.540 ( -0.125 -11.278 0.244) 11.281 11.678 ( -4.414 -1.952 11.737) 12.690 11.954 ( 2.360 -3.245 -13.288) 13.881 12.640 ( 0.845 0.660 4.214) 4.348 12.760 ( 0.309 0.795 -3.142) 3.256 13.249 ( 0.480 1.975 -0.691) 2.147 13.290 ( -0.504 0.187 -2.526) 2.582 14.829 ( 0.686 0.770 14.667) 14.703 15.054 ( -0.097 -0.087 0.022) 0.132 15.239 ( -2.326 0.211 -1.383) 2.714 15.290 ( 4.197 2.061 -11.095) 12.040 16.735 ( 8.074 2.495 12.734) 15.283 17.195 ( -4.020 0.988 -12.337) 13.013 21.047 ( 0.036 -0.533 0.649) 0.841 21.111 ( -2.624 -1.388 -2.403) 3.819 21.941 ( 2.004 10.488 27.116) 29.143 22.610 ( -5.560 17.537 -15.835) 24.273 23.134 ( -0.750 -2.285 1.260) 2.715 23.183 ( -0.708 -2.768 -2.379) 3.718 23.518 ( 4.524 -4.656 2.434) 6.933 23.657 ( -4.677 -6.225 -2.000) 8.039 ======================= Grid point 351 (178/196) ======================= q-point: (-0.40 -0.60 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -10.046 -2.436 8.167) 13.174 1.684 ( 8.055 -2.144 -3.694) 9.117 1.724 ( -5.126 -0.221 3.489) 6.205 1.941 ( 7.295 -0.963 -10.581) 12.888 2.061 ( -0.770 -7.104 6.208) 9.466 2.157 ( 3.200 -5.814 -2.406) 7.059 3.140 ( 1.672 8.641 9.644) 13.056 3.339 ( -5.416 8.989 -7.769) 13.057 3.659 ( 1.542 -4.602 12.428) 13.342 3.953 ( 2.028 -1.673 -10.863) 11.177 4.067 ( -4.258 -1.195 1.547) 4.686 4.130 ( 2.265 -2.965 -1.904) 4.189 4.729 ( -4.525 -2.157 23.311) 23.844 5.230 ( 5.126 1.274 -22.397) 23.012 5.660 ( -0.971 5.102 5.590) 7.630 5.802 ( 1.275 4.980 -7.431) 9.036 6.073 ( -2.518 -1.167 6.270) 6.857 6.148 ( 0.415 -5.201 0.079) 5.218 7.136 ( -0.338 -3.158 10.221) 10.703 7.404 ( 3.868 -0.277 -13.920) 14.450 8.186 ( -4.344 -2.738 8.806) 10.193 8.402 ( 3.663 -0.985 -11.082) 11.713 9.006 ( -1.565 2.318 12.416) 12.728 9.268 ( 0.612 2.759 -11.913) 12.244 9.533 ( -1.535 9.582 2.982) 10.152 9.602 ( 1.506 8.538 -2.987) 9.169 10.703 ( -1.680 -11.644 3.470) 12.265 10.763 ( 1.219 -12.890 -2.140) 13.124 11.724 ( -4.063 -3.220 13.453) 14.417 12.022 ( 3.987 -5.387 -14.507) 15.980 12.637 ( 0.607 1.728 4.327) 4.699 12.726 ( -0.428 2.114 -3.635) 4.227 13.214 ( -0.152 1.918 2.030) 2.797 13.272 ( -0.535 0.442 -3.039) 3.117 14.848 ( 0.224 1.676 13.404) 13.510 15.043 ( -0.575 0.768 -3.432) 3.564 15.199 ( -3.093 1.245 -1.689) 3.737 15.261 ( 3.757 1.883 -7.302) 8.425 16.784 ( 8.105 3.388 13.995) 16.524 17.081 ( -7.529 2.489 -13.962) 16.057 21.051 ( -2.915 -0.717 3.920) 4.937 21.140 ( 2.124 -2.632 -4.024) 5.257 21.783 ( 1.038 15.088 22.485) 27.098 22.213 ( -1.564 18.161 -17.682) 25.396 23.171 ( -0.436 -0.819 0.715) 1.171 23.188 ( 0.595 0.354 -0.583) 0.905 23.661 ( 2.664 -6.379 4.376) 8.181 23.744 ( -2.764 -7.672 -3.410) 8.838 ======================= Grid point 352 (179/196) ======================= q-point: (-0.30 -0.60 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -11.540 -1.719 5.883) 13.067 1.710 ( -9.455 -4.084 0.334) 10.305 1.780 ( 6.717 -0.244 -3.734) 7.689 1.985 ( 5.545 -2.898 -3.211) 7.033 2.198 ( 0.555 -6.661 0.884) 6.742 2.264 ( 2.332 -3.571 -1.829) 4.640 2.975 ( -7.237 10.327 6.150) 14.030 3.132 ( 1.918 9.700 -3.204) 10.394 3.770 ( 1.005 -2.816 10.526) 10.943 3.967 ( 1.888 -1.241 -10.136) 10.385 4.073 ( -4.747 -2.792 5.650) 7.890 4.224 ( 3.656 -5.527 -2.120) 6.958 4.799 ( -3.795 -3.560 18.748) 19.457 5.179 ( 3.800 2.622 -19.065) 19.617 5.572 ( 0.171 5.687 3.739) 6.808 5.683 ( 1.489 6.980 -8.953) 11.450 6.084 ( -3.838 -0.977 8.701) 9.560 6.255 ( 2.693 -5.792 -4.830) 8.008 7.214 ( -0.480 -3.129 7.385) 8.035 7.393 ( 2.497 0.920 -11.149) 11.462 8.239 ( -4.710 -4.759 8.151) 10.548 8.436 ( 3.606 -2.371 -7.776) 8.893 8.987 ( -1.081 2.220 12.550) 12.790 9.183 ( -0.103 3.897 -8.659) 9.496 9.382 ( 0.081 7.326 1.445) 7.467 9.461 ( 1.919 7.647 -4.202) 8.934 10.896 ( -2.054 -10.452 3.711) 11.280 10.982 ( 1.868 -10.844 -2.909) 11.382 11.787 ( -4.243 -3.272 15.490) 16.390 12.122 ( 5.527 -5.689 -16.242) 18.076 12.611 ( 0.237 2.774 3.927) 4.814 12.663 ( -0.801 3.178 -3.377) 4.706 13.197 ( -0.632 0.619 3.839) 3.940 13.254 ( -0.199 0.248 -2.671) 2.689 14.842 ( -0.792 2.598 12.002) 12.306 14.991 ( -0.904 2.682 -7.316) 7.844 15.153 ( -2.738 0.748 0.312) 2.855 15.250 ( 3.123 0.791 -5.133) 6.060 16.804 ( 0.049 3.939 9.036) 9.857 16.946 ( -1.282 2.331 -9.683) 10.041 21.052 ( -3.693 -1.182 5.673) 6.872 21.198 ( 3.729 -2.011 -3.963) 5.801 21.587 ( -0.393 12.358 16.713) 20.790 21.878 ( 1.493 14.144 -16.916) 22.101 23.130 ( -3.172 2.252 1.818) 4.294 23.213 ( 3.160 -0.180 -1.857) 3.670 23.770 ( -3.262 -4.959 3.350) 6.816 23.871 ( 4.126 -6.296 -1.790) 7.737 ======================= Grid point 353 (180/196) ======================= q-point: (-0.20 -0.60 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -10.764 -0.868 3.454) 11.338 1.659 ( -19.397 -2.548 -1.559) 19.626 1.779 ( 8.028 3.720 -5.565) 10.452 2.123 ( 4.248 -5.679 2.188) 7.422 2.291 ( 1.044 0.778 -0.827) 1.543 2.314 ( 3.382 -4.468 -3.377) 6.543 2.718 ( -10.072 10.466 1.982) 14.660 3.026 ( 7.498 6.868 3.177) 10.653 3.821 ( -2.090 -0.937 6.736) 7.114 3.977 ( 2.273 -0.987 -9.346) 9.669 4.116 ( -4.471 -3.460 11.871) 13.148 4.356 ( 3.834 -5.644 -1.216) 6.930 4.888 ( -2.413 -4.458 11.899) 12.934 5.101 ( 2.308 4.076 -12.619) 13.460 5.493 ( 0.901 4.092 -0.304) 4.201 5.559 ( 2.394 5.166 -9.567) 11.133 6.095 ( -4.199 -1.142 10.823) 11.665 6.355 ( 4.372 -3.845 -9.724) 11.334 7.270 ( -0.602 -2.031 3.889) 4.429 7.352 ( 0.592 2.608 -6.078) 6.640 8.303 ( -5.265 -4.510 5.841) 9.065 8.504 ( 3.770 -3.306 -3.726) 6.247 8.973 ( -1.683 1.940 11.396) 11.682 9.100 ( -0.368 2.877 -2.585) 3.885 9.289 ( 1.358 3.671 -2.377) 4.580 9.352 ( 2.027 4.877 -5.844) 7.876 11.039 ( -2.080 -6.212 3.505) 7.430 11.146 ( 2.004 -6.547 -2.918) 7.443 11.842 ( -4.843 -2.179 17.092) 17.898 12.215 ( 6.051 -4.158 -17.696) 19.159 12.569 ( -0.381 2.626 2.595) 3.711 12.601 ( 0.258 2.248 -2.203) 3.158 13.190 ( -2.093 0.222 2.326) 3.137 13.254 ( 1.277 -0.262 0.224) 1.323 14.800 ( -3.064 3.688 9.191) 10.366 14.924 ( 0.717 1.992 -5.542) 5.933 15.127 ( -2.142 0.035 0.070) 2.143 15.254 ( 2.691 0.118 -4.314) 5.086 16.666 ( -11.042 4.069 -5.675) 13.065 16.969 ( 10.092 1.036 4.402) 11.059 21.060 ( -3.684 -1.211 6.554) 7.616 21.239 ( 2.854 -0.352 -2.427) 3.763 21.453 ( -1.095 5.861 10.074) 11.706 21.670 ( 3.576 6.666 -14.804) 16.625 23.072 ( -3.632 1.514 3.060) 4.985 23.227 ( 3.132 0.815 -3.261) 4.594 23.815 ( -4.256 -3.062 2.468) 5.795 23.995 ( 5.065 -3.434 -0.554) 6.145 ======================= Grid point 354 (181/196) ======================= q-point: (-0.10 -0.60 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -9.281 0.205 -0.141) 9.284 1.504 ( -14.317 1.325 -5.641) 15.445 1.757 ( 3.566 3.742 -0.244) 5.175 2.196 ( -1.451 2.491 2.008) 3.513 2.236 ( 2.069 3.505 1.855) 4.473 2.410 ( 5.482 1.307 0.748) 5.685 2.517 ( -6.016 0.512 -3.980) 7.231 3.030 ( 9.023 1.713 4.824) 10.374 3.809 ( -4.134 0.531 2.660) 4.945 3.990 ( 2.262 -0.308 -5.488) 5.944 4.166 ( -4.015 -2.052 13.526) 14.258 4.449 ( 2.038 -1.640 -0.417) 2.649 4.910 ( -2.216 4.408 4.292) 6.539 5.072 ( 2.617 -3.223 -5.404) 6.815 5.446 ( 0.385 0.584 -4.799) 4.850 5.527 ( 3.751 -1.427 -7.889) 8.851 6.111 ( -4.100 -1.188 11.924) 12.665 6.395 ( 4.244 0.519 -12.027) 12.764 7.280 ( -0.539 3.588 -0.357) 3.646 7.306 ( 0.207 -1.016 -0.149) 1.048 8.321 ( -5.100 -0.614 4.132) 6.593 8.575 ( 2.919 -1.561 -1.722) 3.731 8.944 ( -3.575 1.238 8.728) 9.513 9.096 ( 0.142 -2.658 3.156) 4.129 9.265 ( 2.325 -0.131 -3.304) 4.042 9.302 ( 1.737 0.240 -8.549) 8.727 11.087 ( -2.028 0.093 3.242) 3.825 11.220 ( 1.781 -0.644 -2.818) 3.395 11.867 ( -5.615 -0.365 17.583) 18.461 12.269 ( 5.613 -1.815 -18.158) 19.093 12.538 ( -0.649 0.721 1.488) 1.777 12.584 ( 1.488 -0.034 -1.735) 2.286 13.166 ( -2.605 0.639 1.285) 2.974 13.278 ( 1.908 -0.327 1.940) 2.741 14.723 ( -4.028 3.503 7.456) 9.170 14.914 ( 3.013 -0.221 -3.200) 4.401 15.113 ( -1.685 -0.215 -0.597) 1.801 15.265 ( 2.147 -0.211 -4.049) 4.588 16.501 ( -9.942 2.667 -5.217) 11.540 17.056 ( 10.682 0.431 3.958) 11.400 21.068 ( -3.490 -1.271 6.598) 7.571 21.251 ( 0.789 -0.150 -1.041) 1.315 21.408 ( -1.760 0.706 6.058) 6.348 21.636 ( 4.662 -3.134 -13.479) 14.603 23.039 ( -2.648 0.111 3.298) 4.231 23.221 ( 2.478 1.361 -3.430) 4.445 23.822 ( -4.043 -0.794 2.497) 4.817 24.068 ( 3.495 -0.980 -0.183) 3.635 ======================= Grid point 360 (182/196) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -12.343 0.000 11.566) 16.915 1.595 ( -3.386 0.000 3.565) 4.916 1.771 ( -4.481 0.000 3.737) 5.834 1.838 ( 10.463 -0.000 -7.931) 13.129 1.997 ( 6.840 -0.000 -4.313) 8.086 2.020 ( 2.689 -0.000 -5.815) 6.407 3.372 ( 9.177 -0.000 7.072) 11.586 3.491 ( -2.933 0.000 18.619) 18.849 3.527 ( -10.776 0.000 -6.958) 12.827 3.890 ( 4.771 -0.000 -17.372) 18.016 4.075 ( -2.506 0.000 0.799) 2.630 4.083 ( 1.859 -0.000 0.369) 1.896 4.693 ( -5.243 0.000 26.497) 27.011 5.249 ( 5.888 -0.000 -24.685) 25.378 5.759 ( -2.013 0.000 6.590) 6.891 5.885 ( 1.251 -0.000 -5.132) 5.282 6.042 ( -2.169 0.000 4.762) 5.232 6.048 ( -0.028 0.000 3.340) 3.340 7.077 ( -0.611 0.000 11.853) 11.869 7.390 ( 4.272 -0.000 -16.214) 16.768 8.142 ( -5.542 0.000 9.584) 11.071 8.397 ( 5.207 -0.000 -13.969) 14.908 9.053 ( -1.792 0.000 12.090) 12.222 9.319 ( 1.301 -0.000 -12.769) 12.835 9.796 ( 1.274 -0.000 0.121) 1.280 9.806 ( -2.345 0.000 -0.946) 2.529 10.427 ( -0.273 0.000 2.003) 2.022 10.435 ( 0.017 -0.000 1.255) 1.255 11.659 ( -3.318 0.000 11.318) 11.794 11.913 ( 3.153 -0.000 -12.533) 12.924 12.664 ( 0.751 -0.000 4.441) 4.504 12.758 ( -0.222 0.000 -3.862) 3.869 13.270 ( 0.471 -0.000 -1.319) 1.401 13.278 ( -1.029 0.000 -1.548) 1.859 14.879 ( 0.346 -0.000 14.643) 14.647 15.051 ( -0.119 0.000 -1.146) 1.152 15.215 ( -3.283 0.000 -1.034) 3.443 15.310 ( 3.197 -0.000 -10.461) 10.938 16.855 ( 7.243 -0.000 13.011) 14.891 17.128 ( -6.737 0.000 -13.070) 14.704 21.056 ( 2.339 -0.000 -0.240) 2.351 21.066 ( -3.172 0.000 -0.926) 3.304 22.168 ( 7.595 -0.000 29.783) 30.736 22.678 ( -9.387 0.000 -17.674) 20.012 23.103 ( -1.894 0.000 -0.265) 1.912 23.127 ( 2.419 -0.000 -1.622) 2.912 23.525 ( 5.257 -0.000 1.446) 5.453 23.557 ( -4.475 0.000 -1.483) 4.714 ======================= Grid point 361 (183/196) ======================= q-point: (-0.40 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -12.857 -0.585 11.484) 17.249 1.620 ( -6.282 -4.322 8.642) 11.525 1.711 ( -3.674 1.227 -2.374) 4.543 1.936 ( 6.891 -4.348 -7.941) 11.378 2.009 ( 3.070 0.578 -5.101) 5.982 2.088 ( 4.564 -4.263 -4.535) 7.718 3.311 ( -5.258 8.396 6.667) 11.941 3.408 ( -1.937 4.970 -2.607) 5.937 3.608 ( 1.002 -6.183 13.661) 15.029 3.903 ( 4.019 -1.914 -17.027) 17.599 4.050 ( -2.071 0.827 2.492) 3.344 4.110 ( 2.241 -1.184 -0.603) 2.605 4.725 ( -5.615 -0.963 25.465) 26.094 5.226 ( 5.289 0.464 -24.764) 25.326 5.736 ( -1.470 2.728 6.586) 7.279 5.862 ( 1.390 2.442 -5.805) 6.450 6.057 ( -1.637 -0.850 3.863) 4.281 6.071 ( -0.848 -2.994 3.582) 4.745 7.118 ( -0.381 -1.710 11.052) 11.190 7.387 ( 4.070 -0.575 -16.995) 17.485 8.131 ( -5.954 -1.304 9.858) 11.590 8.403 ( 4.931 0.030 -12.348) 13.296 9.060 ( -1.207 1.352 12.561) 12.691 9.284 ( 1.476 1.567 -12.414) 12.599 9.692 ( -1.212 8.518 2.051) 8.845 9.754 ( 2.410 6.802 -1.711) 7.417 10.501 ( -2.364 -8.869 2.716) 9.572 10.560 ( 1.743 -10.760 -0.527) 10.913 11.683 ( -2.665 -1.928 12.137) 12.575 11.941 ( 4.455 -3.339 -12.925) 14.073 12.674 ( 0.455 0.738 4.400) 4.484 12.736 ( -0.856 0.866 -4.309) 4.478 13.246 ( -0.832 1.610 0.493) 1.878 13.271 ( -0.136 0.334 -1.761) 1.797 14.909 ( -0.205 1.006 14.226) 14.263 15.041 ( -0.245 0.427 -3.733) 3.765 15.178 ( -3.954 0.397 -1.287) 4.177 15.295 ( 2.307 1.190 -8.088) 8.494 16.923 ( 4.858 2.148 12.100) 13.214 17.015 ( -8.030 1.269 -12.499) 14.910 21.034 ( -2.019 0.374 1.684) 2.656 21.106 ( 3.144 -2.477 -1.813) 4.394 22.161 ( 6.901 15.712 26.449) 31.528 22.429 ( -4.669 13.183 -18.389) 23.103 23.133 ( 0.111 -3.805 1.700) 4.169 23.175 ( 0.805 -1.773 -2.125) 2.882 23.568 ( -4.037 -5.478 -1.801) 7.039 23.615 ( 4.962 -5.019 1.567) 7.229 ======================= Grid point 362 (184/196) ======================= q-point: (-0.30 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -13.627 -2.019 8.516) 16.195 1.571 ( -14.465 0.072 4.603) 15.180 1.775 ( 4.492 -6.194 -2.144) 7.946 1.988 ( 4.316 0.613 -8.870) 9.884 2.076 ( 1.021 -6.886 -1.454) 7.112 2.194 ( 2.465 -5.222 -3.850) 6.940 3.092 ( -10.329 9.546 2.087) 14.219 3.301 ( 1.906 7.531 3.528) 8.532 3.737 ( -0.774 -4.138 9.519) 10.408 3.926 ( 3.605 -1.871 -14.658) 15.210 4.039 ( -1.261 -0.219 5.638) 5.782 4.170 ( 3.530 -3.506 -1.323) 5.148 4.767 ( -5.571 -2.019 22.883) 23.638 5.190 ( 4.618 1.131 -23.357) 23.836 5.678 ( -0.512 4.740 5.889) 7.577 5.787 ( 1.668 5.474 -7.264) 9.248 6.063 ( -2.521 -0.540 6.187) 6.703 6.154 ( 0.082 -5.966 0.094) 5.968 7.182 ( -0.251 -2.566 8.813) 9.182 7.384 ( 3.124 -0.396 -15.959) 16.266 8.144 ( -6.156 -3.131 9.140) 11.456 8.422 ( 5.012 -1.046 -9.188) 10.518 9.053 ( -0.852 2.217 12.915) 13.131 9.224 ( 1.407 3.020 -11.012) 11.505 9.535 ( -0.113 9.036 2.693) 9.430 9.621 ( 2.566 9.187 -2.804) 9.942 10.682 ( -2.391 -12.155 2.891) 12.721 10.785 ( 2.144 -12.409 -1.528) 12.685 11.740 ( -2.676 -2.990 13.855) 14.425 12.028 ( 5.795 -5.394 -14.329) 16.371 12.664 ( -0.171 1.929 3.757) 4.226 12.691 ( -1.108 1.968 -3.751) 4.379 13.213 ( -1.411 1.332 1.608) 2.520 13.258 ( 0.475 0.557 -0.960) 1.207 14.911 ( -1.511 2.295 13.635) 13.909 15.005 ( -0.549 1.778 -7.312) 7.545 15.135 ( -3.382 0.369 -1.249) 3.624 15.274 ( 1.617 0.939 -5.095) 5.427 16.822 ( -10.505 4.200 -8.758) 14.308 17.003 ( 5.591 0.769 7.999) 9.789 21.026 ( -2.064 -0.413 3.997) 4.518 21.178 ( 4.065 -2.689 -3.158) 5.807 21.931 ( 2.357 19.825 21.349) 29.230 22.106 ( 0.231 15.127 -17.615) 23.220 23.153 ( -1.364 2.304 -0.047) 2.678 23.211 ( 1.787 -2.240 -0.222) 2.874 23.647 ( -3.010 -6.424 -0.879) 7.148 23.785 ( 5.916 -7.831 1.561) 9.938 ======================= Grid point 363 (185/196) ======================= q-point: (-0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -12.949 -2.293 4.619) 13.938 1.458 ( -17.413 -1.520 1.275) 17.526 1.879 ( 8.003 0.583 -9.407) 12.365 2.036 ( 0.886 -5.946 1.834) 6.285 2.202 ( 0.235 -7.301 -3.578) 8.134 2.275 ( 0.521 -3.361 -3.286) 4.729 2.835 ( -9.928 10.514 2.680) 14.707 3.202 ( 2.947 6.787 5.024) 8.943 3.784 ( -4.097 -1.841 4.031) 6.035 3.953 ( 3.482 -1.486 -9.856) 10.558 4.072 ( -0.683 -2.093 9.363) 9.618 4.284 ( 4.195 -5.645 -0.806) 7.079 4.827 ( -4.737 -3.493 18.352) 19.273 5.140 ( 3.926 2.175 -19.790) 20.293 5.595 ( 0.319 5.864 3.235) 6.705 5.667 ( 2.006 7.105 -7.898) 10.811 6.071 ( -3.285 -0.856 8.802) 9.434 6.271 ( 2.217 -6.498 -4.838) 8.399 7.240 ( -0.569 -2.122 5.808) 6.210 7.364 ( 1.434 0.644 -12.177) 12.278 8.188 ( -5.560 -4.872 7.145) 10.281 8.477 ( 4.930 -2.495 -5.221) 7.602 9.036 ( -1.075 2.742 12.265) 12.614 9.150 ( 1.336 3.571 -7.365) 8.293 9.391 ( 0.223 7.579 0.579) 7.604 9.476 ( 2.295 8.201 -3.776) 9.316 10.879 ( -1.699 -10.740 2.718) 11.208 11.003 ( 1.866 -10.493 -1.800) 10.809 11.807 ( -3.266 -2.758 15.840) 16.407 12.136 ( 6.319 -5.286 -16.154) 18.133 12.617 ( -1.420 2.819 0.172) 3.161 12.642 ( 0.125 2.541 0.069) 2.545 13.185 ( -1.955 0.738 0.994) 2.314 13.262 ( 1.274 -0.224 1.012) 1.642 14.864 ( -3.934 3.946 8.621) 10.265 14.949 ( 0.226 1.864 -4.435) 4.816 15.109 ( -1.812 -0.099 -1.463) 2.331 15.264 ( 1.195 0.224 -3.493) 3.699 16.632 ( -10.381 4.358 -8.712) 14.236 17.065 ( 6.196 0.131 7.417) 9.665 21.033 ( -2.055 -0.813 5.834) 6.239 21.240 ( 3.501 -1.577 -4.226) 5.710 21.666 ( -0.824 15.510 16.356) 22.556 21.833 ( 3.648 12.242 -15.578) 20.145 23.086 ( -3.004 2.713 1.521) 4.324 23.245 ( 1.864 -0.339 -2.288) 2.971 23.726 ( -2.068 -4.676 0.811) 5.177 23.960 ( 5.648 -5.582 0.545) 7.960 ======================= Grid point 364 (186/196) ======================= q-point: (-0.10 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -9.520 -1.904 -0.527) 9.723 1.356 ( -14.573 -2.377 1.027) 14.801 1.869 ( 6.325 3.863 -6.772) 10.039 2.156 ( -0.462 -4.971 2.340) 5.514 2.285 ( -0.695 -1.157 -3.221) 3.493 2.345 ( 2.723 -6.673 -4.210) 8.347 2.588 ( -7.874 9.677 4.271) 13.186 3.148 ( 3.508 3.693 4.932) 7.090 3.772 ( -5.043 -0.637 1.534) 5.310 3.982 ( 2.743 -1.111 -5.687) 6.411 4.137 ( -1.261 -2.515 12.241) 12.560 4.406 ( 2.252 -4.573 -0.260) 5.104 4.905 ( -2.958 -3.947 11.306) 12.335 5.076 ( 2.836 2.922 -12.973) 13.597 5.498 ( 1.043 5.484 -3.178) 6.423 5.561 ( 2.574 4.109 -6.297) 7.947 6.086 ( -3.621 -1.222 10.892) 11.543 6.373 ( 3.917 -3.745 -9.741) 11.147 7.277 ( -0.813 -1.537 2.934) 3.411 7.324 ( 0.069 1.785 -6.200) 6.452 8.249 ( -3.967 -4.214 4.976) 7.632 8.554 ( 3.663 -2.814 -2.069) 5.061 8.993 ( -2.086 3.770 8.284) 9.337 9.100 ( 0.805 1.690 1.226) 2.238 9.289 ( 0.519 3.354 -3.996) 5.243 9.359 ( 2.190 5.720 -4.822) 7.795 11.027 ( -1.189 -6.124 2.735) 6.812 11.162 ( 1.302 -6.340 -2.055) 6.791 11.857 ( -4.223 -1.330 17.311) 17.869 12.221 ( 5.838 -3.495 -17.376) 18.660 12.562 ( -1.151 2.140 0.914) 2.596 12.604 ( 0.743 1.729 -1.008) 2.134 13.159 ( -2.045 0.532 0.944) 2.315 13.287 ( 1.432 -0.697 1.852) 2.443 14.773 ( -4.084 3.890 5.455) 7.846 14.927 ( 1.142 0.392 -1.635) 2.032 15.096 ( -0.815 -0.090 -1.576) 1.776 15.265 ( 0.855 -0.198 -3.053) 3.177 16.467 ( -7.676 3.408 -5.660) 10.127 17.135 ( 5.661 -0.573 3.996) 6.953 21.047 ( -1.947 -0.655 6.740) 7.047 21.262 ( 1.857 0.362 -3.749) 4.199 21.481 ( -2.122 7.787 10.483) 13.231 21.668 ( 5.074 5.941 -13.350) 15.468 23.034 ( -2.697 0.978 2.926) 4.098 23.245 ( 1.149 0.723 -3.449) 3.707 23.778 ( -1.306 -2.384 1.963) 3.353 24.068 ( 3.563 -2.326 -0.226) 4.261 ======================= Grid point 371 (187/196) ======================= q-point: (-0.40 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -13.788 0.000 14.672) 20.134 1.537 ( -8.200 0.000 10.689) 13.472 1.667 ( -9.650 0.000 3.154) 10.153 1.924 ( 6.599 -0.000 -12.254) 13.917 2.037 ( 3.706 -0.000 -9.112) 9.837 2.067 ( 4.561 -0.000 -5.933) 7.484 3.301 ( -11.877 0.000 -5.271) 12.994 3.527 ( 4.023 -0.000 6.809) 7.909 3.544 ( -2.165 0.000 16.389) 16.531 3.878 ( 5.219 -0.000 -18.020) 18.761 4.055 ( -0.432 0.000 1.867) 1.917 4.117 ( 1.918 -0.000 0.044) 1.919 4.733 ( -6.494 0.000 25.819) 26.623 5.207 ( 5.147 -0.000 -25.875) 26.381 5.765 ( -1.389 0.000 6.801) 6.941 5.879 ( 1.074 -0.000 -4.498) 4.625 6.030 ( -1.770 0.000 3.534) 3.952 6.063 ( -0.375 0.000 3.289) 3.311 7.129 ( -0.325 0.000 11.032) 11.036 7.368 ( 3.984 -0.000 -18.634) 19.055 8.096 ( -6.349 0.000 11.055) 12.748 8.410 ( 4.757 -0.000 -12.708) 13.569 9.097 ( -0.855 0.000 12.746) 12.774 9.281 ( 2.158 -0.000 -12.143) 12.333 9.782 ( -0.245 0.000 0.121) 0.273 9.838 ( 3.256 -0.000 1.036) 3.417 10.428 ( -0.757 0.000 1.290) 1.495 10.438 ( -0.153 0.000 0.722) 0.738 11.679 ( -1.678 0.000 11.841) 11.959 11.918 ( 5.327 -0.000 -12.249) 13.357 12.694 ( 0.154 -0.000 4.097) 4.100 12.722 ( -1.296 0.000 -4.725) 4.899 13.252 ( -1.293 0.000 -0.837) 1.540 13.271 ( 0.021 -0.000 0.378) 0.379 14.952 ( -0.970 0.000 14.629) 14.661 15.033 ( -0.087 0.000 -5.433) 5.434 15.144 ( -4.282 0.000 -1.493) 4.535 15.297 ( 0.664 -0.000 -6.960) 6.992 16.910 ( -10.770 0.000 -12.388) 16.415 17.014 ( 3.724 -0.000 11.723) 12.301 21.032 ( -0.563 0.000 -0.104) 0.573 21.108 ( 3.633 -0.000 0.496) 3.667 22.456 ( -5.579 0.000 -18.552) 19.372 22.502 ( 14.178 -0.000 27.794) 31.202 23.078 ( -1.076 0.000 0.021) 1.076 23.154 ( 1.834 -0.000 -1.998) 2.713 23.472 ( -4.708 0.000 -2.059) 5.139 23.617 ( 5.156 -0.000 0.923) 5.238 ======================= Grid point 372 (188/196) ======================= q-point: (-0.30 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -14.023 0.423 13.653) 19.577 1.488 ( -13.904 1.414 9.300) 16.787 1.653 ( -4.140 -6.987 4.369) 9.222 1.962 ( 2.146 -3.129 -11.953) 12.541 2.036 ( 5.249 0.440 -9.272) 10.664 2.117 ( 1.836 -3.684 -5.873) 7.172 3.140 ( -10.765 5.697 -3.005) 12.544 3.448 ( -0.554 6.721 8.489) 10.842 3.664 ( -2.353 -5.150 8.891) 10.541 3.891 ( 4.879 -1.600 -15.133) 15.980 4.057 ( 1.297 0.653 3.474) 3.765 4.148 ( 2.647 -1.800 -0.433) 3.230 4.752 ( -7.002 -0.958 24.755) 25.744 5.178 ( 4.994 0.350 -25.624) 26.109 5.753 ( -0.644 2.378 6.645) 7.087 5.857 ( 1.589 2.524 -5.314) 6.094 6.047 ( -1.354 -1.698 2.968) 3.678 6.075 ( -1.285 -1.725 3.855) 4.415 7.168 ( -0.163 -1.444 9.536) 9.646 7.356 ( 3.531 -0.565 -18.748) 19.086 8.081 ( -6.557 -1.048 11.253) 13.066 8.422 ( 4.740 -0.742 -11.359) 12.330 9.113 ( -0.595 1.307 13.022) 13.101 9.255 ( 2.670 1.790 -11.153) 11.607 9.699 ( 0.682 8.023 2.014) 8.300 9.797 ( 3.392 7.809 -1.052) 8.578 10.477 ( -2.112 -8.452 2.511) 9.066 10.582 ( 1.321 -11.488 -0.758) 11.589 11.715 ( -1.440 -1.766 12.689) 12.892 11.964 ( 6.324 -3.253 -12.780) 14.626 12.688 ( -1.543 1.033 -2.587) 3.185 12.700 ( -0.297 0.563 1.760) 1.871 13.227 ( -1.478 1.245 0.070) 1.934 13.270 ( 0.179 0.350 0.679) 0.785 14.964 ( -3.063 1.454 14.800) 15.183 15.006 ( -0.177 0.941 -7.940) 7.998 15.106 ( -3.045 -0.030 -2.449) 3.908 15.277 ( -0.522 0.362 -4.446) 4.491 16.766 ( -10.823 2.509 -10.478) 15.271 17.065 ( 1.979 -0.118 9.789) 9.987 21.027 ( 0.172 0.440 1.750) 1.812 21.161 ( 3.696 -2.100 -0.847) 4.335 22.278 ( -1.357 10.035 -16.262) 19.157 22.424 ( 8.139 22.962 20.402) 31.777 23.168 ( 3.018 -4.642 2.643) 6.136 23.176 ( 0.520 -0.228 -2.240) 2.311 23.490 ( -3.548 -7.191 -2.396) 8.369 23.715 ( 5.818 -5.713 1.700) 8.329 ======================= Grid point 373 (189/196) ======================= q-point: (-0.20 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -12.162 -1.044 9.138) 15.248 1.341 ( -15.593 2.354 6.489) 17.053 1.815 ( 0.488 -9.935 2.427) 10.239 1.986 ( 1.521 -1.806 -13.074) 13.285 2.078 ( 1.246 -3.973 -4.323) 6.003 2.186 ( -0.462 -4.889 -4.704) 6.800 2.926 ( -9.270 8.391 0.011) 12.504 3.339 ( -1.556 6.521 6.015) 9.007 3.719 ( -4.420 -2.629 4.081) 6.565 3.927 ( 3.604 -1.987 -10.199) 10.998 4.077 ( 1.706 -0.212 5.864) 6.111 4.229 ( 3.922 -4.242 -0.266) 5.783 4.783 ( -6.884 -2.135 22.198) 23.339 5.144 ( 4.987 0.778 -23.765) 24.295 5.704 ( 0.033 4.768 5.459) 7.248 5.783 ( 2.223 5.809 -6.487) 8.987 6.058 ( -1.999 -0.359 6.113) 6.442 6.152 ( -0.356 -6.573 0.359) 6.593 7.218 ( -0.435 -1.803 6.767) 7.017 7.343 ( 2.477 -0.322 -16.692) 16.878 8.091 ( -5.956 -3.071 10.004) 12.041 8.462 ( 5.037 -2.136 -8.556) 10.156 9.109 ( -0.680 2.486 12.876) 13.131 9.207 ( 3.129 3.183 -9.187) 10.214 9.554 ( 0.817 9.552 2.030) 9.800 9.648 ( 2.108 10.031 -2.589) 10.572 10.664 ( -1.246 -12.458 2.458) 12.759 10.809 ( 1.440 -12.408 -1.119) 12.541 11.777 ( -1.955 -2.614 14.378) 14.744 12.058 ( 6.780 -4.889 -14.322) 16.583 12.642 ( -1.652 1.795 -2.398) 3.421 12.684 ( -0.351 1.738 2.062) 2.719 13.191 ( -1.661 1.362 0.460) 2.196 13.271 ( 0.654 -0.007 1.128) 1.304 14.911 ( -4.881 3.388 4.918) 7.713 14.968 ( -1.283 1.346 -0.892) 2.062 15.089 ( -0.473 -0.336 -2.398) 2.467 15.260 ( -0.830 -0.089 -2.378) 2.520 16.603 ( -8.738 3.685 -8.175) 12.521 17.107 ( 0.914 -0.850 7.214) 7.321 21.031 ( 0.079 0.046 4.271) 4.272 21.224 ( 3.215 -2.115 -3.148) 4.972 22.030 ( 2.132 15.466 -6.295) 16.833 22.086 ( 2.545 21.451 9.485) 23.592 23.128 ( -1.523 3.888 -0.404) 4.195 23.235 ( 1.027 -1.434 -0.706) 1.900 23.616 ( 0.394 -7.271 -0.875) 7.334 23.896 ( 6.105 -7.311 1.378) 9.624 ======================= Grid point 374 (190/196) ======================= q-point: (-0.10 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -5.813 -2.375 4.618) 7.795 1.218 ( -12.890 -0.869 5.947) 14.222 1.930 ( 4.952 -0.294 -13.403) 14.291 2.042 ( -0.946 -7.330 0.968) 7.454 2.159 ( -2.726 -6.863 -4.004) 8.400 2.260 ( -0.346 -5.224 -1.937) 5.582 2.703 ( -7.316 9.397 2.680) 12.207 3.235 ( -2.538 4.555 3.807) 6.457 3.723 ( -4.218 -1.206 3.371) 5.533 3.965 ( 2.853 -1.791 -6.953) 7.726 4.124 ( 0.909 -1.706 8.280) 8.503 4.340 ( 2.466 -4.783 0.036) 5.381 4.833 ( -5.877 -3.768 17.577) 18.913 5.107 ( 4.917 1.621 -20.011) 20.670 5.615 ( 0.648 6.584 1.442) 6.772 5.667 ( 2.191 7.030 -5.770) 9.355 6.069 ( -2.571 -0.812 9.131) 9.520 6.279 ( 1.869 -7.108 -4.766) 8.759 7.253 ( -1.190 -1.301 4.095) 4.458 7.320 ( 1.210 0.235 -12.013) 12.076 8.149 ( -3.691 -5.150 8.193) 10.357 8.528 ( 4.334 -2.854 -5.623) 7.652 9.074 ( -1.076 4.148 9.383) 10.315 9.158 ( 2.989 3.041 -3.114) 5.280 9.391 ( -0.497 8.825 -0.316) 8.844 9.492 ( 1.731 8.366 -3.545) 9.250 10.875 ( -0.234 -10.800 2.148) 11.014 11.018 ( 0.769 -10.241 -1.194) 10.339 11.840 ( -3.029 -2.145 16.249) 16.667 12.158 ( 6.437 -4.367 -16.024) 17.812 12.591 ( -1.232 2.076 -0.484) 2.463 12.646 ( -0.208 2.496 0.532) 2.560 13.159 ( -1.547 0.864 0.772) 1.933 13.288 ( 0.736 -0.726 1.212) 1.593 14.817 ( -4.233 3.618 2.880) 6.269 14.933 ( -1.747 0.720 -0.510) 1.957 15.090 ( 0.807 -0.084 -1.472) 1.681 15.254 ( -0.601 -0.459 -1.873) 2.019 16.463 ( -4.936 3.504 -4.936) 7.810 17.147 ( -0.250 -1.630 3.301) 3.690 21.047 ( -0.203 -0.246 6.229) 6.237 21.264 ( 2.374 -0.863 -4.940) 5.548 21.721 ( -2.265 17.730 14.191) 22.822 21.841 ( 5.905 11.751 -12.117) 17.882 23.050 ( -2.344 2.668 1.728) 3.950 23.246 ( -0.220 -0.184 -2.697) 2.712 23.726 ( 1.679 -4.176 0.827) 4.576 24.042 ( 3.833 -4.033 -0.233) 5.569 ======================= Grid point 382 (191/196) ======================= q-point: (-0.30 -0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -13.300 0.000 16.892) 21.500 1.446 ( -10.292 0.000 14.495) 17.777 1.521 ( -9.820 0.000 6.087) 11.554 1.909 ( -0.377 0.000 -13.971) 13.976 2.066 ( 7.007 -0.000 -12.537) 14.362 2.073 ( 0.012 -0.000 -7.113) 7.113 3.098 ( -9.074 0.000 -4.552) 10.152 3.547 ( -4.463 0.000 2.720) 5.226 3.585 ( -2.965 0.000 14.857) 15.150 3.875 ( 4.556 -0.000 -15.117) 15.789 4.094 ( 3.650 -0.000 2.801) 4.601 4.147 ( 1.724 -0.000 0.072) 1.726 4.747 ( -8.013 0.000 25.036) 26.287 5.155 ( 5.408 -0.000 -26.264) 26.815 5.787 ( -0.181 0.000 6.658) 6.660 5.875 ( 0.905 -0.000 -3.330) 3.451 6.026 ( -0.515 0.000 2.592) 2.643 6.067 ( -1.216 0.000 2.982) 3.221 7.179 ( -0.180 0.000 9.211) 9.212 7.330 ( 3.724 -0.000 -19.629) 19.979 8.052 ( -6.573 0.000 12.986) 14.555 8.417 ( 3.944 -0.000 -12.599) 13.202 9.155 ( -0.340 0.000 13.127) 13.132 9.270 ( 3.801 -0.000 -10.275) 10.955 9.797 ( 1.501 -0.000 0.845) 1.722 9.904 ( 3.780 -0.000 0.900) 3.886 10.414 ( -1.416 0.000 0.743) 1.599 10.440 ( 0.057 -0.000 0.444) 0.448 11.722 ( -0.943 0.000 12.442) 12.478 11.957 ( 6.963 -0.000 -12.178) 14.028 12.673 ( -1.637 0.000 -4.248) 4.552 12.709 ( -0.589 0.000 2.926) 2.985 13.227 ( -1.416 0.000 -0.364) 1.462 13.275 ( -0.194 0.000 1.515) 1.527 14.981 ( -6.530 0.000 15.867) 17.158 14.989 ( -0.209 0.000 -10.495) 10.497 15.080 ( -0.559 0.000 -2.892) 2.945 15.258 ( -2.147 0.000 -2.604) 3.375 16.678 ( -9.676 0.000 -8.216) 12.694 17.088 ( -1.196 0.000 7.935) 8.025 21.044 ( 1.785 -0.000 0.396) 1.829 21.168 ( 2.890 -0.000 0.655) 2.963 22.314 ( -0.407 0.000 -15.572) 15.577 22.897 ( 16.594 -0.000 19.002) 25.227 23.069 ( 0.141 -0.000 -0.152) 0.208 23.162 ( 0.743 -0.000 -0.354) 0.823 23.385 ( -4.127 0.000 -2.353) 4.751 23.706 ( 5.157 -0.000 0.517) 5.183 ======================= Grid point 383 (192/196) ======================= q-point: (-0.20 -0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -9.862 0.968 15.275) 18.208 1.310 ( -13.425 5.217 12.238) 18.900 1.617 ( -4.636 -11.462 9.742) 15.740 1.885 ( -2.466 -2.996 -14.567) 15.075 2.052 ( -0.419 -0.712 -10.083) 10.117 2.107 ( 4.198 -2.092 -9.007) 10.155 2.976 ( -6.565 5.011 -2.647) 8.673 3.434 ( -5.778 5.719 4.516) 9.300 3.643 ( -4.460 -3.406 8.484) 10.172 3.889 ( 3.362 -1.898 -12.512) 13.094 4.117 ( 2.805 1.087 3.526) 4.635 4.195 ( 3.178 -2.983 0.248) 4.365 4.752 ( -8.475 -1.059 24.015) 25.489 5.132 ( 5.960 0.192 -25.376) 26.067 5.785 ( 0.315 2.414 6.229) 6.687 5.861 ( 2.075 2.241 -4.595) 5.517 6.048 ( -0.348 -1.619 2.723) 3.187 6.067 ( -1.990 -1.423 3.900) 4.604 7.207 ( -0.640 -0.923 7.129) 7.217 7.314 ( 3.530 -0.389 -18.625) 18.961 8.038 ( -6.194 -0.798 12.976) 14.401 8.434 ( 3.944 -2.063 -11.832) 12.641 9.175 ( -0.343 1.468 13.135) 13.221 9.262 ( 4.788 1.993 -8.852) 10.259 9.730 ( 1.725 7.956 1.471) 8.273 9.840 ( 2.071 9.571 -1.315) 9.880 10.463 ( -0.945 -8.839 2.429) 9.215 10.594 ( 0.579 -12.134 -0.832) 12.176 11.762 ( -1.305 -1.584 13.265) 13.423 12.011 ( 7.272 -2.847 -12.840) 15.029 12.644 ( -1.344 0.726 -3.032) 3.394 12.705 ( -0.847 0.626 2.015) 2.273 13.203 ( -1.420 1.200 0.025) 1.859 13.277 ( -0.228 0.015 1.306) 1.326 14.927 ( -5.369 2.190 1.994) 6.132 14.960 ( -3.766 0.254 -0.852) 3.870 15.083 ( 1.321 -0.200 -0.679) 1.498 15.237 ( -2.459 -0.364 -0.675) 2.575 16.572 ( -6.716 2.026 -5.513) 8.922 17.095 ( -3.329 -1.008 5.382) 6.408 21.056 ( 1.958 0.650 2.040) 2.901 21.207 ( 2.262 -1.662 -1.061) 3.001 22.215 ( 3.480 7.603 -13.037) 15.488 22.610 ( 2.842 27.903 12.392) 30.663 23.162 ( -0.945 -0.152 -2.192) 2.392 23.245 ( 2.993 1.910 0.773) 3.633 23.463 ( 3.123 -11.535 0.860) 11.981 23.819 ( 5.646 -6.844 1.006) 8.929 ======================= Grid point 384 (193/196) ======================= q-point: (-0.10 -0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -1.309 -1.348 11.723) 11.873 1.153 ( -12.591 2.959 12.200) 17.780 1.824 ( -1.087 -10.815 2.402) 11.132 1.901 ( -2.352 -5.690 -13.450) 14.792 2.041 ( -2.934 -2.839 -8.052) 9.028 2.162 ( 0.971 -3.661 -4.370) 5.783 2.814 ( -3.773 7.921 0.346) 8.781 3.291 ( -6.883 5.325 2.227) 8.983 3.675 ( -3.828 -2.154 6.884) 8.166 3.926 ( 2.522 -2.611 -9.377) 10.055 4.137 ( 1.859 -0.151 4.889) 5.233 4.284 ( 2.424 -3.884 0.141) 4.580 4.772 ( -8.224 -2.385 21.413) 23.062 5.115 ( 6.460 0.472 -23.136) 24.025 5.733 ( 0.092 5.326 4.559) 7.011 5.793 ( 2.815 6.085 -5.692) 8.795 6.061 ( -1.670 -0.569 6.370) 6.609 6.151 ( 0.032 -6.980 0.556) 7.003 7.231 ( -1.820 -1.070 4.464) 4.938 7.300 ( 2.887 -0.106 -15.635) 15.900 8.063 ( -4.051 -3.615 11.900) 13.080 8.487 ( 3.702 -3.330 -10.114) 11.273 9.163 ( -0.632 3.296 11.713) 12.184 9.236 ( 5.274 3.258 -6.131) 8.718 9.575 ( 0.352 11.192 1.226) 11.264 9.656 ( 0.507 10.169 -2.839) 10.570 10.670 ( 0.576 -12.699 2.109) 12.885 10.817 ( 0.110 -12.408 -0.888) 12.440 11.819 ( -2.385 -2.258 14.840) 15.199 12.098 ( 6.994 -4.005 -14.354) 16.462 12.611 ( -0.794 1.361 -1.128) 1.938 12.682 ( -0.827 1.667 0.844) 2.043 13.169 ( -1.200 1.313 0.568) 1.867 13.281 ( -0.346 -0.498 0.584) 0.842 14.844 ( -4.743 2.772 2.385) 5.989 14.917 ( -3.477 0.460 -2.399) 4.250 15.099 ( 1.772 -0.093 0.098) 1.777 15.229 ( -1.732 -0.829 -0.390) 1.960 16.480 ( -2.211 2.748 -2.900) 4.566 17.097 ( -5.178 -2.002 2.053) 5.919 21.068 ( 1.297 0.448 4.649) 4.847 21.248 ( 1.954 -1.593 -3.781) 4.544 22.050 ( 5.900 12.863 -8.901) 16.718 22.163 ( -1.358 25.064 12.327) 27.964 23.099 ( -1.742 4.386 -0.177) 4.722 23.224 ( -1.419 -0.430 -2.340) 2.770 23.664 ( 5.388 -6.283 0.682) 8.305 23.986 ( 4.043 -5.956 -0.229) 7.203 ======================= Grid point 393 (194/196) ======================= q-point: (-0.20 -0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -7.811 0.000 16.659) 18.399 1.363 ( -9.534 0.000 17.079) 19.560 1.432 ( -6.829 0.000 13.949) 15.531 1.792 ( -3.248 0.000 -16.031) 16.357 1.993 ( -4.357 0.000 -8.682) 9.714 2.114 ( 6.850 -0.000 -14.975) 16.467 2.975 ( -2.820 0.000 -3.036) 4.144 3.435 ( -9.379 0.000 0.813) 9.414 3.599 ( -4.356 0.000 13.461) 14.148 3.863 ( 3.360 -0.000 -14.005) 14.403 4.175 ( 1.685 -0.000 0.049) 1.686 4.177 ( 3.666 -0.000 2.921) 4.687 4.732 ( -9.407 0.000 24.409) 26.159 5.121 ( 6.995 -0.000 -25.372) 26.319 5.827 ( 0.647 -0.000 6.204) 6.238 5.880 ( 1.657 -0.000 -2.087) 2.665 6.038 ( 0.318 -0.000 1.961) 1.987 6.056 ( -1.865 0.000 2.729) 3.305 7.210 ( -1.403 0.000 6.524) 6.674 7.294 ( 4.319 -0.000 -18.639) 19.133 8.019 ( -6.035 0.000 14.673) 15.865 8.407 ( 3.174 -0.000 -13.449) 13.819 9.220 ( -0.267 0.000 13.113) 13.116 9.305 ( 6.199 -0.000 -7.735) 9.913 9.830 ( 1.850 -0.000 0.505) 1.918 9.955 ( 1.728 -0.000 -0.408) 1.775 10.396 ( -0.954 0.000 0.784) 1.235 10.444 ( 0.012 -0.000 0.494) 0.494 11.771 ( -1.459 0.000 12.976) 13.058 12.014 ( 7.493 -0.000 -12.384) 14.474 12.633 ( -0.758 0.000 -2.584) 2.693 12.705 ( -1.257 0.000 1.405) 1.885 13.203 ( -1.119 0.000 -0.267) 1.151 13.275 ( -1.011 0.000 1.270) 1.623 14.904 ( -10.060 0.000 11.741) 15.461 14.922 ( 0.229 -0.000 -13.156) 13.158 15.095 ( 1.546 -0.000 1.269) 2.000 15.210 ( -2.801 0.000 0.862) 2.931 16.535 ( -3.822 0.000 -2.297) 4.459 17.056 ( -5.956 0.000 2.882) 6.617 21.087 ( 2.949 -0.000 0.591) 3.008 21.203 ( 1.094 -0.000 0.138) 1.102 22.286 ( 5.097 -0.000 -9.948) 11.177 23.003 ( -6.541 0.000 -3.878) 7.604 23.081 ( 1.314 -0.000 -0.054) 1.315 23.308 ( 0.409 -0.000 -2.073) 2.113 23.378 ( 14.353 -0.000 11.611) 18.461 23.788 ( 4.396 -0.000 0.088) 4.397 ======================= Grid point 394 (195/196) ======================= q-point: (-0.10 -0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -2.222 -1.479 13.425) 13.687 1.204 ( -8.666 7.697 20.447) 23.504 1.604 ( -4.153 -12.813 13.076) 18.772 1.754 ( -2.820 -3.438 -15.891) 16.501 1.941 ( -5.021 -1.448 -10.445) 11.679 2.131 ( 4.417 -0.767 -13.250) 13.988 2.916 ( 0.686 4.945 -1.004) 5.092 3.314 ( -9.754 4.092 0.941) 10.619 3.620 ( -4.705 -2.466 11.169) 12.368 3.875 ( 2.955 -2.154 -12.452) 12.978 4.170 ( 1.890 0.965 2.307) 3.135 4.244 ( 2.017 -2.798 0.454) 3.479 4.726 ( -9.661 -1.158 23.481) 25.417 5.116 ( 7.782 0.123 -24.154) 25.377 5.821 ( -0.085 2.983 5.643) 6.383 5.880 ( 3.101 2.127 -4.085) 5.552 6.052 ( -1.644 -0.514 3.821) 4.191 6.063 ( -0.245 -2.775 2.722) 3.895 7.211 ( -2.868 -0.338 4.638) 5.464 7.286 ( 4.480 -0.111 -16.724) 17.314 8.020 ( -4.487 -1.337 14.601) 15.333 8.425 ( 2.950 -2.918 -13.307) 13.939 9.235 ( -0.682 1.792 12.678) 12.822 9.321 ( 7.047 2.258 -6.603) 9.917 9.762 ( 1.442 8.193 0.174) 8.321 9.842 ( -0.931 11.077 -1.690) 11.244 10.475 ( 0.883 -9.769 2.270) 10.068 10.591 ( -0.596 -12.189 -0.715) 12.225 11.803 ( -2.352 -1.427 13.678) 13.952 12.064 ( 7.212 -2.299 -13.124) 15.151 12.620 ( -0.031 0.504 -1.273) 1.370 12.693 ( -1.346 0.482 0.546) 1.530 13.184 ( -0.731 1.117 0.132) 1.341 13.268 ( -1.531 -0.208 0.376) 1.590 14.840 ( -8.859 1.086 9.425) 12.980 14.891 ( 0.508 0.432 -10.457) 10.478 15.113 ( 1.621 -0.126 1.328) 2.099 15.199 ( -1.989 -0.730 0.887) 2.297 16.504 ( 0.396 1.299 0.024) 1.358 17.014 ( -7.961 -1.210 0.284) 8.057 21.105 ( 2.361 0.835 2.262) 3.375 21.224 ( 0.917 -1.477 -1.788) 2.494 22.257 ( 7.973 6.664 -7.704) 12.936 22.634 ( -5.667 25.065 5.929) 26.373 23.128 ( -1.418 -0.643 -1.692) 2.299 23.236 ( -1.857 4.661 -3.003) 5.848 23.613 ( 10.595 -6.612 3.800) 13.054 23.900 ( 3.453 -6.931 -0.336) 7.751 ======================= Grid point 404 (196/196) ======================= q-point: (-0.10 -0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.09e-04 3.09e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -1.742 0.000 14.828) 14.930 1.313 ( -7.857 0.000 18.108) 19.739 1.450 ( -2.498 0.000 22.333) 22.472 1.664 ( -0.938 0.000 -16.566) 16.592 1.862 ( -4.455 0.000 -11.121) 11.980 2.119 ( 3.974 -0.000 -18.083) 18.514 2.982 ( 4.939 -0.000 -1.264) 5.099 3.265 ( -11.349 0.000 1.001) 11.393 3.585 ( -5.559 0.000 12.956) 14.099 3.847 ( 3.629 -0.000 -13.608) 14.084 4.204 ( 1.847 -0.000 -0.133) 1.852 4.229 ( 1.100 -0.000 1.464) 1.831 4.695 ( -10.269 0.000 24.081) 26.179 5.122 ( 8.745 -0.000 -23.993) 25.537 5.860 ( -1.003 0.000 5.948) 6.032 5.910 ( 2.947 -0.000 -1.373) 3.251 6.043 ( -0.869 0.000 2.394) 2.547 6.049 ( -0.388 0.000 1.398) 1.451 7.191 ( -4.483 0.000 4.510) 6.359 7.284 ( 5.604 -0.000 -16.076) 17.025 8.012 ( -4.266 0.000 15.390) 15.970 8.384 ( 3.041 -0.000 -14.532) 14.847 9.276 ( -1.246 0.000 12.270) 12.333 9.388 ( 7.941 -0.000 -6.279) 10.123 9.858 ( 1.390 -0.000 -0.268) 1.415 9.947 ( -1.989 0.000 -1.583) 2.542 10.400 ( 0.815 -0.000 1.014) 1.301 10.440 ( -1.001 0.000 0.816) 1.292 11.804 ( -2.866 0.000 13.270) 13.576 12.068 ( 6.874 -0.000 -12.937) 14.650 12.624 ( 0.786 -0.000 -0.868) 1.171 12.684 ( -1.741 0.000 0.106) 1.744 13.192 ( 0.016 -0.000 -0.177) 0.178 13.251 ( -2.273 0.000 0.233) 2.285 14.793 ( -10.657 0.000 11.732) 15.850 14.887 ( 3.969 -0.000 -11.894) 12.538 15.128 ( 1.543 -0.000 1.303) 2.020 15.181 ( -1.395 0.000 1.122) 1.791 16.534 ( 3.475 -0.000 2.477) 4.268 16.931 ( -9.232 0.000 -1.640) 9.376 21.140 ( 2.893 -0.000 0.502) 2.937 21.209 ( -0.252 0.000 -0.433) 0.501 22.372 ( 9.355 -0.000 -4.015) 10.180 22.807 ( -13.672 0.000 -3.760) 14.180 23.110 ( 2.007 -0.000 0.645) 2.108 23.265 ( -2.108 0.000 -3.384) 3.987 23.665 ( 11.616 -0.000 5.324) 12.778 23.843 ( 2.048 -0.000 -0.440) 2.095 =================== 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 3/33600 10.0 45.062 73.563 42.524 0.000 1.940 -0.000 3/33600 20.0 16.890 23.617 17.823 0.000 -0.514 -0.000 3/33600 30.0 10.087 13.493 11.674 0.000 -0.714 -0.000 3/33600 40.0 7.077 9.315 8.868 0.000 -0.730 -0.000 3/33600 50.0 5.447 7.134 7.335 0.000 -0.730 -0.000 3/33600 60.0 4.441 5.832 6.372 0.000 -0.725 -0.000 3/33600 70.0 3.760 4.972 5.690 0.000 -0.712 -0.000 3/33600 80.0 3.266 4.360 5.164 0.000 -0.691 -0.000 3/33600 90.0 2.891 3.896 4.734 0.000 -0.666 -0.000 3/33600 100.0 2.596 3.530 4.372 0.000 -0.638 -0.000 3/33600 110.0 2.357 3.231 4.061 0.000 -0.609 -0.000 3/33600 120.0 2.160 2.981 3.791 0.000 -0.580 -0.000 3/33600 130.0 1.994 2.769 3.554 0.000 -0.553 -0.000 3/33600 140.0 1.854 2.586 3.346 0.000 -0.527 -0.000 3/33600 150.0 1.733 2.427 3.161 0.000 -0.502 -0.000 3/33600 160.0 1.628 2.287 2.996 0.000 -0.480 -0.000 3/33600 170.0 1.536 2.164 2.849 0.000 -0.459 -0.000 3/33600 180.0 1.455 2.053 2.715 0.000 -0.439 -0.000 3/33600 190.0 1.382 1.954 2.595 0.000 -0.421 -0.000 3/33600 200.0 1.318 1.865 2.486 0.000 -0.404 -0.000 3/33600 210.0 1.259 1.783 2.385 0.000 -0.389 -0.000 3/33600 220.0 1.206 1.709 2.294 0.000 -0.374 -0.000 3/33600 230.0 1.157 1.642 2.209 0.000 -0.361 -0.000 3/33600 240.0 1.113 1.579 2.131 0.000 -0.348 -0.000 3/33600 250.0 1.072 1.522 2.058 0.000 -0.337 -0.000 3/33600 260.0 1.034 1.469 1.991 0.000 -0.326 -0.000 3/33600 270.0 0.999 1.419 1.928 0.000 -0.315 -0.000 3/33600 280.0 0.966 1.373 1.869 0.000 -0.306 -0.000 3/33600 290.0 0.936 1.330 1.813 0.000 -0.297 -0.000 3/33600 300.0 0.907 1.290 1.761 0.000 -0.288 -0.000 3/33600 310.0 0.881 1.252 1.712 0.000 -0.280 -0.000 3/33600 320.0 0.855 1.216 1.665 0.000 -0.272 -0.000 3/33600 330.0 0.832 1.183 1.621 0.000 -0.265 -0.000 3/33600 340.0 0.809 1.151 1.580 0.000 -0.258 -0.000 3/33600 350.0 0.788 1.121 1.540 0.000 -0.251 -0.000 3/33600 360.0 0.768 1.092 1.502 0.000 -0.245 -0.000 3/33600 370.0 0.749 1.065 1.467 0.000 -0.239 -0.000 3/33600 380.0 0.731 1.039 1.432 0.000 -0.234 -0.000 3/33600 390.0 0.714 1.015 1.400 0.000 -0.228 -0.000 3/33600 400.0 0.697 0.991 1.369 0.000 -0.223 -0.000 3/33600 410.0 0.681 0.969 1.339 0.000 -0.218 -0.000 3/33600 420.0 0.666 0.948 1.310 0.000 -0.213 -0.000 3/33600 430.0 0.652 0.927 1.283 0.000 -0.209 -0.000 3/33600 440.0 0.638 0.908 1.256 0.000 -0.204 -0.000 3/33600 450.0 0.625 0.889 1.231 0.000 -0.200 -0.000 3/33600 460.0 0.612 0.871 1.207 0.000 -0.196 -0.000 3/33600 470.0 0.600 0.854 1.184 0.000 -0.192 -0.000 3/33600 480.0 0.588 0.837 1.161 0.000 -0.189 -0.000 3/33600 490.0 0.577 0.821 1.139 0.000 -0.185 -0.000 3/33600 500.0 0.566 0.806 1.119 0.000 -0.182 -0.000 3/33600 510.0 0.556 0.791 1.098 0.000 -0.178 -0.000 3/33600 520.0 0.546 0.776 1.079 0.000 -0.175 -0.000 3/33600 530.0 0.536 0.763 1.060 0.000 -0.172 -0.000 3/33600 540.0 0.527 0.749 1.042 0.000 -0.169 -0.000 3/33600 550.0 0.518 0.736 1.024 0.000 -0.166 -0.000 3/33600 560.0 0.509 0.724 1.007 0.000 -0.163 -0.000 3/33600 570.0 0.500 0.712 0.991 0.000 -0.161 -0.000 3/33600 580.0 0.492 0.700 0.975 0.000 -0.158 -0.000 3/33600 590.0 0.484 0.689 0.960 0.000 -0.156 -0.000 3/33600 600.0 0.477 0.678 0.945 0.000 -0.153 -0.000 3/33600 610.0 0.469 0.668 0.930 0.000 -0.151 -0.000 3/33600 620.0 0.462 0.657 0.916 0.000 -0.148 -0.000 3/33600 630.0 0.455 0.647 0.902 0.000 -0.146 -0.000 3/33600 640.0 0.448 0.638 0.889 0.000 -0.144 -0.000 3/33600 650.0 0.442 0.628 0.876 0.000 -0.142 -0.000 3/33600 660.0 0.435 0.619 0.864 0.000 -0.140 -0.000 3/33600 670.0 0.429 0.610 0.852 0.000 -0.138 -0.000 3/33600 680.0 0.423 0.602 0.840 0.000 -0.136 -0.000 3/33600 690.0 0.417 0.593 0.828 0.000 -0.134 -0.000 3/33600 700.0 0.411 0.585 0.817 0.000 -0.132 -0.000 3/33600 710.0 0.406 0.577 0.806 0.000 -0.130 -0.000 3/33600 720.0 0.400 0.570 0.795 0.000 -0.129 -0.000 3/33600 730.0 0.395 0.562 0.785 0.000 -0.127 -0.000 3/33600 740.0 0.390 0.555 0.775 0.000 -0.125 -0.000 3/33600 750.0 0.385 0.548 0.765 0.000 -0.124 -0.000 3/33600 760.0 0.380 0.541 0.755 0.000 -0.122 -0.000 3/33600 770.0 0.375 0.534 0.746 0.000 -0.121 -0.000 3/33600 780.0 0.371 0.527 0.737 0.000 -0.119 -0.000 3/33600 790.0 0.366 0.521 0.728 0.000 -0.118 -0.000 3/33600 800.0 0.362 0.514 0.719 0.000 -0.116 -0.000 3/33600 810.0 0.357 0.508 0.711 0.000 -0.115 -0.000 3/33600 820.0 0.353 0.502 0.702 0.000 -0.114 -0.000 3/33600 830.0 0.349 0.496 0.694 0.000 -0.112 -0.000 3/33600 840.0 0.345 0.491 0.686 0.000 -0.111 -0.000 3/33600 850.0 0.341 0.485 0.679 0.000 -0.110 -0.000 3/33600 860.0 0.337 0.480 0.671 0.000 -0.108 -0.000 3/33600 870.0 0.333 0.474 0.663 0.000 -0.107 -0.000 3/33600 880.0 0.330 0.469 0.656 0.000 -0.106 -0.000 3/33600 890.0 0.326 0.464 0.649 0.000 -0.105 -0.000 3/33600 900.0 0.322 0.459 0.642 0.000 -0.104 -0.000 3/33600 910.0 0.319 0.454 0.635 0.000 -0.103 -0.000 3/33600 920.0 0.316 0.449 0.629 0.000 -0.102 -0.000 3/33600 930.0 0.312 0.444 0.622 0.000 -0.100 -0.000 3/33600 940.0 0.309 0.440 0.616 0.000 -0.099 -0.000 3/33600 950.0 0.306 0.435 0.609 0.000 -0.098 -0.000 3/33600 960.0 0.303 0.431 0.603 0.000 -0.097 -0.000 3/33600 970.0 0.300 0.427 0.597 0.000 -0.096 -0.000 3/33600 980.0 0.297 0.422 0.591 0.000 -0.095 -0.000 3/33600 990.0 0.294 0.418 0.585 0.000 -0.095 -0.000 3/33600 1000.0 0.291 0.414 0.580 0.000 -0.094 -0.000 3/33600 Thermal conductivity related properties were written into "kappa-m10107.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:24:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|