----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:48:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.078248495291803 -5.890739219999999 0.000000000000000 b 3.078248495291803 5.890739219999999 0.000000000000000 c -0.379293296238487 0.000000000000000 13.204564158688839 Atomic positions (fractional): *1 N 0.69083218110608 0.86959740909303 0.95240466926431 14.007 2 N 0.13040259090697 0.30916781889392 0.54759533073569 14.007 3 N 0.30916781889392 0.13040259090697 0.04759533073569 14.007 4 N 0.86959740909303 0.69083218110608 0.45240466926431 14.007 *5 N 0.99552911844040 0.00447088155960 0.75000000000000 14.007 6 N 0.00447088155960 0.99552911844040 0.25000000000000 14.007 *7 N 0.42814358624709 0.57185641375291 0.75000000000000 14.007 *8 N 0.16217230225756 0.47771338277977 0.12857756395154 14.007 9 N 0.47771338277977 0.16217230225756 0.62857756395154 14.007 10 N 0.83782769774244 0.52228661722023 0.87142243604846 14.007 11 N 0.52228661722023 0.83782769774244 0.37142243604846 14.007 12 N 0.57185641375291 0.42814358624709 0.25000000000000 14.007 *13 Nb 0.73486696624397 0.73889637877919 0.33391614022419 92.906 14 Nb 0.26513303375603 0.26110362122081 0.66608385977581 92.906 15 Nb 0.26110362122081 0.26513303375603 0.16608385977581 92.906 16 Nb 0.73889637877919 0.73486696624397 0.83391614022419 92.906 *17 Ba 0.55669408868000 0.95535874082862 0.14359802222988 137.327 18 Ba 0.95535874082862 0.55669408868000 0.64359802222988 137.327 19 Ba 0.44330591132000 0.04464125917138 0.85640197777012 137.327 20 Ba 0.04464125917138 0.44330591132000 0.35640197777012 137.327 *21 Ba 0.64571540721342 0.87270816968026 0.57695688330433 137.327 22 Ba 0.12729183031974 0.35428459278658 0.92304311669567 137.327 23 Ba 0.35428459278658 0.12729183031974 0.42304311669567 137.327 24 Ba 0.87270816968026 0.64571540721342 0.07695688330433 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.156496990583606 0.000000000000000 0.000000000000000 b 0.000000000000000 11.781478439999999 0.000000000000000 c -0.379293296238487 0.000000000000000 13.204564158688839 Atomic positions (fractional): *1 N 0.78021479509955 0.08938261399347 0.95240466926431 14.007 > 1 2 N 0.21978520490045 0.08938261399347 0.54759533073569 14.007 > 2 3 N 0.71978520490045 0.41061738600652 0.04759533073569 14.007 > 3 4 N 0.28021479509955 0.41061738600652 0.45240466926431 14.007 > 4 *5 N 0.00000000000000 0.00447088155960 0.75000000000000 14.007 > 5 6 N 0.50000000000000 0.49552911844040 0.25000000000000 14.007 > 6 *7 N 0.50000000000000 0.07185641375291 0.75000000000000 14.007 > 7 *8 N 0.31994284251867 0.15777054026111 0.12857756395154 14.007 > 8 9 N 0.81994284251867 0.34222945973890 0.62857756395154 14.007 > 9 10 N 0.18005715748133 0.34222945973890 0.87142243604846 14.007 > 10 11 N 0.68005715748133 0.15777054026111 0.37142243604846 14.007 > 11 12 N 0.00000000000000 0.42814358624709 0.25000000000000 14.007 > 12 13 N 0.28021479509955 0.58938261399348 0.95240466926431 14.007 > 1 14 N 0.71978520490045 0.58938261399348 0.54759533073569 14.007 > 2 15 N 0.21978520490045 0.91061738600652 0.04759533073569 14.007 > 3 16 N 0.78021479509955 0.91061738600652 0.45240466926431 14.007 > 4 17 N 0.50000000000000 0.50447088155960 0.75000000000000 14.007 > 5 18 N 0.00000000000000 0.99552911844040 0.25000000000000 14.007 > 6 19 N 0.00000000000000 0.57185641375291 0.75000000000000 14.007 > 7 20 N 0.81994284251867 0.65777054026111 0.12857756395154 14.007 > 8 21 N 0.31994284251867 0.84222945973889 0.62857756395154 14.007 > 9 22 N 0.68005715748133 0.84222945973889 0.87142243604846 14.007 > 10 23 N 0.18005715748133 0.65777054026111 0.37142243604846 14.007 > 11 24 N 0.50000000000000 0.92814358624709 0.25000000000000 14.007 > 12 *25 Nb 0.73688167251158 0.00201470626761 0.33391614022419 92.906 > 13 26 Nb 0.76311832748842 0.49798529373239 0.66608385977581 92.906 > 14 27 Nb 0.26311832748842 0.00201470626761 0.16608385977581 92.906 > 15 28 Nb 0.23688167251158 0.49798529373239 0.83391614022419 92.906 > 16 29 Nb 0.23688167251158 0.50201470626761 0.33391614022419 92.906 > 13 30 Nb 0.26311832748842 0.99798529373239 0.66608385977581 92.906 > 14 31 Nb 0.76311832748842 0.50201470626761 0.16608385977581 92.906 > 15 32 Nb 0.73688167251158 0.99798529373239 0.83391614022419 92.906 > 16 *33 Ba 0.75602641475431 0.19933232607431 0.14359802222988 137.327 > 17 34 Ba 0.25602641475431 0.30066767392569 0.64359802222988 137.327 > 18 35 Ba 0.74397358524569 0.30066767392569 0.85640197777012 137.327 > 19 36 Ba 0.24397358524569 0.19933232607431 0.35640197777012 137.327 > 20 *37 Ba 0.75921178844684 0.11349638123342 0.57695688330433 137.327 > 21 38 Ba 0.24078821155316 0.11349638123342 0.92304311669567 137.327 > 22 39 Ba 0.74078821155316 0.38650361876658 0.42304311669567 137.327 > 23 40 Ba 0.25921178844684 0.38650361876658 0.07695688330433 137.327 > 24 41 Ba 0.25602641475431 0.69933232607431 0.14359802222988 137.327 > 17 42 Ba 0.75602641475431 0.80066767392569 0.64359802222988 137.327 > 18 43 Ba 0.24397358524569 0.80066767392569 0.85640197777012 137.327 > 19 44 Ba 0.74397358524569 0.69933232607431 0.35640197777012 137.327 > 20 45 Ba 0.25921178844684 0.61349638123342 0.57695688330433 137.327 > 21 46 Ba 0.74078821155316 0.61349638123342 0.92304311669567 137.327 > 22 47 Ba 0.24078821155316 0.88650361876658 0.42304311669567 137.327 > 23 48 Ba 0.75921178844684 0.88650361876658 0.07695688330433 137.327 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.312993981167212 0.000000000000000 0.000000000000000 b 0.000000000000000 11.781478439999999 0.000000000000000 c -0.379293296238487 0.000000000000000 13.204564158688839 Atomic positions (fractional): *1 N 0.39010739754978 0.08938261399347 0.95240466926431 14.007 > 1 2 N 0.89010739754978 0.08938261399347 0.95240466926431 14.007 > 1 3 N 0.10989260245022 0.08938261399347 0.54759533073569 14.007 > 2 4 N 0.60989260245022 0.08938261399347 0.54759533073569 14.007 > 2 5 N 0.35989260245022 0.41061738600652 0.04759533073569 14.007 > 3 6 N 0.85989260245022 0.41061738600652 0.04759533073569 14.007 > 3 7 N 0.14010739754978 0.41061738600652 0.45240466926431 14.007 > 4 8 N 0.64010739754978 0.41061738600652 0.45240466926431 14.007 > 4 *9 N 0.00000000000000 0.00447088155960 0.75000000000000 14.007 > 5 10 N 0.50000000000000 0.00447088155960 0.75000000000000 14.007 > 5 11 N 0.25000000000000 0.49552911844040 0.25000000000000 14.007 > 6 12 N 0.75000000000000 0.49552911844040 0.25000000000000 14.007 > 6 *13 N 0.25000000000000 0.07185641375291 0.75000000000000 14.007 > 7 14 N 0.75000000000000 0.07185641375291 0.75000000000000 14.007 > 7 *15 N 0.15997142125933 0.15777054026111 0.12857756395154 14.007 > 8 16 N 0.65997142125933 0.15777054026111 0.12857756395154 14.007 > 8 17 N 0.40997142125933 0.34222945973890 0.62857756395154 14.007 > 9 18 N 0.90997142125933 0.34222945973890 0.62857756395154 14.007 > 9 19 N 0.09002857874067 0.34222945973890 0.87142243604846 14.007 > 10 20 N 0.59002857874067 0.34222945973890 0.87142243604846 14.007 > 10 21 N 0.34002857874067 0.15777054026111 0.37142243604846 14.007 > 11 22 N 0.84002857874067 0.15777054026111 0.37142243604846 14.007 > 11 23 N 0.00000000000000 0.42814358624709 0.25000000000000 14.007 > 12 24 N 0.50000000000000 0.42814358624709 0.25000000000000 14.007 > 12 25 N 0.14010739754978 0.58938261399348 0.95240466926431 14.007 > 1 26 N 0.64010739754978 0.58938261399348 0.95240466926431 14.007 > 1 27 N 0.35989260245022 0.58938261399348 0.54759533073569 14.007 > 2 28 N 0.85989260245022 0.58938261399348 0.54759533073569 14.007 > 2 29 N 0.10989260245022 0.91061738600652 0.04759533073569 14.007 > 3 30 N 0.60989260245022 0.91061738600652 0.04759533073569 14.007 > 3 31 N 0.39010739754978 0.91061738600652 0.45240466926431 14.007 > 4 32 N 0.89010739754978 0.91061738600652 0.45240466926431 14.007 > 4 33 N 0.25000000000000 0.50447088155960 0.75000000000000 14.007 > 5 34 N 0.75000000000000 0.50447088155960 0.75000000000000 14.007 > 5 35 N 0.00000000000000 0.99552911844040 0.25000000000000 14.007 > 6 36 N 0.50000000000000 0.99552911844040 0.25000000000000 14.007 > 6 37 N 0.00000000000000 0.57185641375291 0.75000000000000 14.007 > 7 38 N 0.50000000000000 0.57185641375291 0.75000000000000 14.007 > 7 39 N 0.40997142125933 0.65777054026111 0.12857756395154 14.007 > 8 40 N 0.90997142125933 0.65777054026111 0.12857756395154 14.007 > 8 41 N 0.15997142125933 0.84222945973889 0.62857756395154 14.007 > 9 42 N 0.65997142125933 0.84222945973889 0.62857756395154 14.007 > 9 43 N 0.34002857874067 0.84222945973889 0.87142243604846 14.007 > 10 44 N 0.84002857874067 0.84222945973889 0.87142243604846 14.007 > 10 45 N 0.09002857874067 0.65777054026111 0.37142243604846 14.007 > 11 46 N 0.59002857874067 0.65777054026111 0.37142243604846 14.007 > 11 47 N 0.25000000000000 0.92814358624709 0.25000000000000 14.007 > 12 48 N 0.75000000000000 0.92814358624709 0.25000000000000 14.007 > 12 *49 Nb 0.36844083625579 0.00201470626761 0.33391614022419 92.906 > 13 50 Nb 0.86844083625579 0.00201470626761 0.33391614022419 92.906 > 13 51 Nb 0.38155916374421 0.49798529373239 0.66608385977581 92.906 > 14 52 Nb 0.88155916374421 0.49798529373239 0.66608385977581 92.906 > 14 53 Nb 0.13155916374421 0.00201470626761 0.16608385977581 92.906 > 15 54 Nb 0.63155916374421 0.00201470626761 0.16608385977581 92.906 > 15 55 Nb 0.11844083625579 0.49798529373239 0.83391614022419 92.906 > 16 56 Nb 0.61844083625579 0.49798529373239 0.83391614022419 92.906 > 16 57 Nb 0.11844083625579 0.50201470626761 0.33391614022419 92.906 > 13 58 Nb 0.61844083625579 0.50201470626761 0.33391614022419 92.906 > 13 59 Nb 0.13155916374421 0.99798529373239 0.66608385977581 92.906 > 14 60 Nb 0.63155916374421 0.99798529373239 0.66608385977581 92.906 > 14 61 Nb 0.38155916374421 0.50201470626761 0.16608385977581 92.906 > 15 62 Nb 0.88155916374421 0.50201470626761 0.16608385977581 92.906 > 15 63 Nb 0.36844083625579 0.99798529373239 0.83391614022419 92.906 > 16 64 Nb 0.86844083625579 0.99798529373239 0.83391614022419 92.906 > 16 *65 Ba 0.37801320737715 0.19933232607431 0.14359802222988 137.327 > 17 66 Ba 0.87801320737715 0.19933232607431 0.14359802222988 137.327 > 17 67 Ba 0.12801320737715 0.30066767392569 0.64359802222988 137.327 > 18 68 Ba 0.62801320737715 0.30066767392569 0.64359802222988 137.327 > 18 69 Ba 0.37198679262285 0.30066767392569 0.85640197777012 137.327 > 19 70 Ba 0.87198679262285 0.30066767392569 0.85640197777012 137.327 > 19 71 Ba 0.12198679262285 0.19933232607431 0.35640197777012 137.327 > 20 72 Ba 0.62198679262285 0.19933232607431 0.35640197777012 137.327 > 20 *73 Ba 0.37960589422342 0.11349638123342 0.57695688330433 137.327 > 21 74 Ba 0.87960589422342 0.11349638123342 0.57695688330433 137.327 > 21 75 Ba 0.12039410577658 0.11349638123342 0.92304311669567 137.327 > 22 76 Ba 0.62039410577658 0.11349638123342 0.92304311669567 137.327 > 22 77 Ba 0.37039410577658 0.38650361876658 0.42304311669567 137.327 > 23 78 Ba 0.87039410577658 0.38650361876658 0.42304311669567 137.327 > 23 79 Ba 0.12960589422342 0.38650361876658 0.07695688330433 137.327 > 24 80 Ba 0.62960589422342 0.38650361876658 0.07695688330433 137.327 > 24 81 Ba 0.12801320737715 0.69933232607431 0.14359802222988 137.327 > 17 82 Ba 0.62801320737715 0.69933232607431 0.14359802222988 137.327 > 17 83 Ba 0.37801320737715 0.80066767392569 0.64359802222988 137.327 > 18 84 Ba 0.87801320737715 0.80066767392569 0.64359802222988 137.327 > 18 85 Ba 0.12198679262285 0.80066767392569 0.85640197777012 137.327 > 19 86 Ba 0.62198679262285 0.80066767392569 0.85640197777012 137.327 > 19 87 Ba 0.37198679262285 0.69933232607431 0.35640197777012 137.327 > 20 88 Ba 0.87198679262285 0.69933232607431 0.35640197777012 137.327 > 20 89 Ba 0.12960589422342 0.61349638123342 0.57695688330433 137.327 > 21 90 Ba 0.62960589422342 0.61349638123342 0.57695688330433 137.327 > 21 91 Ba 0.37039410577658 0.61349638123342 0.92304311669567 137.327 > 22 92 Ba 0.87039410577658 0.61349638123342 0.92304311669567 137.327 > 22 93 Ba 0.12039410577658 0.88650361876658 0.42304311669567 137.327 > 23 94 Ba 0.62039410577658 0.88650361876658 0.42304311669567 137.327 > 23 95 Ba 0.37960589422342 0.88650361876658 0.07695688330433 137.327 > 24 96 Ba 0.87960589422342 0.88650361876658 0.07695688330433 137.327 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8837078 0.0000000 -0.0931575 0.0000000 6.4731546 0.0000000 -0.0931315 0.0000000 6.9295384 -------------------------- Born effective charges -------------------------- 1 N -2.1498095 -0.1133890 -0.1111497 -0.2134557 -3.0445533 -1.1344491 -0.2671582 -1.1399872 -3.8570326 2 N -2.1498095 0.1133890 -0.1111497 0.2134557 -3.0445533 1.1344491 -0.2671582 1.1399872 -3.8570326 3 N -2.1498095 -0.1133890 -0.1111497 -0.2134557 -3.0445533 -1.1344491 -0.2671582 -1.1399872 -3.8570326 4 N -2.1498095 0.1133890 -0.1111497 0.2134557 -3.0445533 1.1344491 -0.2671582 1.1399872 -3.8570326 5 N -4.9859663 0.0000000 2.1431091 0.0000000 -1.1063495 0.0000000 2.0846583 0.0000000 -2.9523453 6 N -4.9859663 0.0000000 2.1431091 0.0000000 -1.1063495 0.0000000 2.0846583 0.0000000 -2.9523453 7 N -3.9285585 0.0000000 -1.8527485 0.0000000 -1.6715395 0.0000000 -1.4466997 0.0000000 -2.8742982 8 N -2.3212042 -0.6028491 0.0585535 -0.4134683 -4.0139968 0.6063277 -0.0171083 0.8480913 -2.3505237 9 N -2.3212042 0.6028491 0.0585535 0.4134683 -4.0139968 -0.6063277 -0.0171083 -0.8480913 -2.3505237 10 N -2.3212042 -0.6028491 0.0585535 -0.4134683 -4.0139968 0.6063277 -0.0171083 0.8480913 -2.3505237 11 N -2.3212042 0.6028491 0.0585535 0.4134683 -4.0139968 -0.6063277 -0.0171083 -0.8480913 -2.3505237 12 N -3.9285585 0.0000000 -1.8527485 0.0000000 -1.6715395 0.0000000 -1.4466997 0.0000000 -2.8742982 13 Nb 3.8692070 0.0755501 -0.0885212 -0.1642060 2.9346155 -0.5378135 -0.1615498 0.1341747 3.4998630 14 Nb 3.8692070 0.0755501 -0.0885212 -0.1642060 2.9346155 -0.5378135 -0.1615498 0.1341747 3.4998630 15 Nb 3.8692070 -0.0755501 -0.0885212 0.1642060 2.9346155 0.5378135 -0.1615498 -0.1341747 3.4998630 16 Nb 3.8692070 -0.0755501 -0.0885212 0.1642060 2.9346155 0.5378135 -0.1615498 -0.1341747 3.4998630 17 Ba 2.7391651 0.0605071 0.1044816 0.1343840 3.0479940 -0.2307042 0.0179090 0.0311641 2.7412365 18 Ba 2.7391651 -0.0605071 0.1044816 -0.1343840 3.0479940 0.2307042 0.0179090 -0.0311641 2.7412365 19 Ba 2.7391651 0.0605071 0.1044816 0.1343840 3.0479940 -0.2307042 0.0179090 0.0311641 2.7412365 20 Ba 2.7391651 -0.0605071 0.1044816 -0.1343840 3.0479940 0.2307042 0.0179090 -0.0311641 2.7412365 21 Ba 2.3199040 0.0241115 -0.1085446 0.0216637 2.4648851 0.3049412 0.1089279 0.2691641 2.8797785 22 Ba 2.3199040 -0.0241115 -0.1085446 -0.0216637 2.4648851 -0.3049412 0.1089279 -0.2691641 2.8797785 23 Ba 2.3199040 0.0241115 -0.1085446 0.0216637 2.4648851 0.3049412 0.1089279 0.2691641 2.8797785 24 Ba 2.3199040 -0.0241115 -0.1085446 -0.0216637 2.4648851 -0.3049412 0.1089279 -0.2691641 2.8797785 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 12456/12456 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 241 eigenvectors found. (2) Block: 584 / 584 (2) 76 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 62), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 62), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 17), data: (584, 30) @ (30, 17) |-- (84, 76), data: True |-- (250, 241), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.785 Solver_block: 200 / 720 - Time: 0.633 Solver_block: 300 / 720 - Time: 0.661 Solver_block: 400 / 720 - Time: 0.882 Solver_block: 500 / 720 - Time: 1.719 Solver_block: 600 / 720 - Time: 1.329 Solver_block: 700 / 720 - Time: 0.663 Solver_block: 720 / 720 - Time: 0.295 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.440 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zx) -0.00000000 (zx) Permutation basis: 288/288 Permutation basis: 12456/12456 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 241 eigenvectors found. (2) Block: 584 / 584 (2) 76 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 62), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 62), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 17), data: (584, 30) @ (30, 17) |-- (84, 76), data: True |-- (250, 241), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zx) -0.00000000 (zx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:49:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:49:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.078248495291803 -5.890739219999999 0.000000000000000 b 3.078248495291803 5.890739219999999 0.000000000000000 c -0.379293296238487 0.000000000000000 13.204564158688839 Atomic positions (fractional): 1 N 0.69083218110608 0.86959740909303 0.95240466926431 14.007 2 N 0.13040259090697 0.30916781889392 0.54759533073569 14.007 3 N 0.30916781889392 0.13040259090697 0.04759533073569 14.007 4 N 0.86959740909303 0.69083218110608 0.45240466926431 14.007 5 N 0.99552911844040 0.00447088155960 0.75000000000000 14.007 6 N 0.00447088155960 0.99552911844040 0.25000000000000 14.007 7 N 0.42814358624709 0.57185641375291 0.75000000000000 14.007 8 N 0.16217230225756 0.47771338277977 0.12857756395154 14.007 9 N 0.47771338277977 0.16217230225756 0.62857756395154 14.007 10 N 0.83782769774244 0.52228661722023 0.87142243604846 14.007 11 N 0.52228661722023 0.83782769774244 0.37142243604846 14.007 12 N 0.57185641375291 0.42814358624709 0.25000000000000 14.007 13 Nb 0.73486696624397 0.73889637877919 0.33391614022419 92.906 14 Nb 0.26513303375603 0.26110362122081 0.66608385977581 92.906 15 Nb 0.26110362122081 0.26513303375603 0.16608385977581 92.906 16 Nb 0.73889637877919 0.73486696624397 0.83391614022419 92.906 17 Ba 0.55669408868000 0.95535874082862 0.14359802222988 137.327 18 Ba 0.95535874082862 0.55669408868000 0.64359802222988 137.327 19 Ba 0.44330591132000 0.04464125917138 0.85640197777012 137.327 20 Ba 0.04464125917138 0.44330591132000 0.35640197777012 137.327 21 Ba 0.64571540721342 0.87270816968026 0.57695688330433 137.327 22 Ba 0.12729183031974 0.35428459278658 0.92304311669567 137.327 23 Ba 0.35428459278658 0.12729183031974 0.42304311669567 137.327 24 Ba 0.87270816968026 0.64571540721342 0.07695688330433 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.312993981167212 0.000000000000000 0.000000000000000 b 0.000000000000000 11.781478439999999 0.000000000000000 c -0.379293296238487 0.000000000000000 13.204564158688839 Atomic positions (fractional): 1 N 0.39010739754978 0.08938261399347 0.95240466926431 14.007 > 1 2 N 0.89010739754978 0.08938261399347 0.95240466926431 14.007 > 1 3 N 0.10989260245022 0.08938261399347 0.54759533073569 14.007 > 3 4 N 0.60989260245022 0.08938261399347 0.54759533073569 14.007 > 3 5 N 0.35989260245022 0.41061738600652 0.04759533073569 14.007 > 5 6 N 0.85989260245022 0.41061738600652 0.04759533073569 14.007 > 5 7 N 0.14010739754978 0.41061738600652 0.45240466926431 14.007 > 7 8 N 0.64010739754978 0.41061738600652 0.45240466926431 14.007 > 7 9 N 0.00000000000000 0.00447088155960 0.75000000000000 14.007 > 9 10 N 0.50000000000000 0.00447088155960 0.75000000000000 14.007 > 9 11 N 0.25000000000000 0.49552911844040 0.25000000000000 14.007 > 11 12 N 0.75000000000000 0.49552911844040 0.25000000000000 14.007 > 11 13 N 0.25000000000000 0.07185641375291 0.75000000000000 14.007 > 13 14 N 0.75000000000000 0.07185641375291 0.75000000000000 14.007 > 13 15 N 0.15997142125933 0.15777054026111 0.12857756395154 14.007 > 15 16 N 0.65997142125933 0.15777054026111 0.12857756395154 14.007 > 15 17 N 0.40997142125933 0.34222945973890 0.62857756395154 14.007 > 17 18 N 0.90997142125933 0.34222945973890 0.62857756395154 14.007 > 17 19 N 0.09002857874067 0.34222945973890 0.87142243604846 14.007 > 19 20 N 0.59002857874067 0.34222945973890 0.87142243604846 14.007 > 19 21 N 0.34002857874067 0.15777054026111 0.37142243604846 14.007 > 21 22 N 0.84002857874067 0.15777054026111 0.37142243604846 14.007 > 21 23 N 0.00000000000000 0.42814358624709 0.25000000000000 14.007 > 23 24 N 0.50000000000000 0.42814358624709 0.25000000000000 14.007 > 23 25 N 0.14010739754978 0.58938261399348 0.95240466926431 14.007 > 1 26 N 0.64010739754978 0.58938261399348 0.95240466926431 14.007 > 1 27 N 0.35989260245022 0.58938261399348 0.54759533073569 14.007 > 3 28 N 0.85989260245022 0.58938261399348 0.54759533073569 14.007 > 3 29 N 0.10989260245022 0.91061738600652 0.04759533073569 14.007 > 5 30 N 0.60989260245022 0.91061738600652 0.04759533073569 14.007 > 5 31 N 0.39010739754978 0.91061738600652 0.45240466926431 14.007 > 7 32 N 0.89010739754978 0.91061738600652 0.45240466926431 14.007 > 7 33 N 0.25000000000000 0.50447088155960 0.75000000000000 14.007 > 9 34 N 0.75000000000000 0.50447088155960 0.75000000000000 14.007 > 9 35 N 0.00000000000000 0.99552911844040 0.25000000000000 14.007 > 11 36 N 0.50000000000000 0.99552911844040 0.25000000000000 14.007 > 11 37 N 0.00000000000000 0.57185641375291 0.75000000000000 14.007 > 13 38 N 0.50000000000000 0.57185641375291 0.75000000000000 14.007 > 13 39 N 0.40997142125933 0.65777054026111 0.12857756395154 14.007 > 15 40 N 0.90997142125933 0.65777054026111 0.12857756395154 14.007 > 15 41 N 0.15997142125933 0.84222945973889 0.62857756395154 14.007 > 17 42 N 0.65997142125933 0.84222945973889 0.62857756395154 14.007 > 17 43 N 0.34002857874067 0.84222945973889 0.87142243604846 14.007 > 19 44 N 0.84002857874067 0.84222945973889 0.87142243604846 14.007 > 19 45 N 0.09002857874067 0.65777054026111 0.37142243604846 14.007 > 21 46 N 0.59002857874067 0.65777054026111 0.37142243604846 14.007 > 21 47 N 0.25000000000000 0.92814358624709 0.25000000000000 14.007 > 23 48 N 0.75000000000000 0.92814358624709 0.25000000000000 14.007 > 23 49 Nb 0.36844083625579 0.00201470626761 0.33391614022419 92.906 > 49 50 Nb 0.86844083625579 0.00201470626761 0.33391614022419 92.906 > 49 51 Nb 0.38155916374421 0.49798529373239 0.66608385977581 92.906 > 51 52 Nb 0.88155916374421 0.49798529373239 0.66608385977581 92.906 > 51 53 Nb 0.13155916374421 0.00201470626761 0.16608385977581 92.906 > 53 54 Nb 0.63155916374421 0.00201470626761 0.16608385977581 92.906 > 53 55 Nb 0.11844083625579 0.49798529373239 0.83391614022419 92.906 > 55 56 Nb 0.61844083625579 0.49798529373239 0.83391614022419 92.906 > 55 57 Nb 0.11844083625579 0.50201470626761 0.33391614022419 92.906 > 49 58 Nb 0.61844083625579 0.50201470626761 0.33391614022419 92.906 > 49 59 Nb 0.13155916374421 0.99798529373239 0.66608385977581 92.906 > 51 60 Nb 0.63155916374421 0.99798529373239 0.66608385977581 92.906 > 51 61 Nb 0.38155916374421 0.50201470626761 0.16608385977581 92.906 > 53 62 Nb 0.88155916374421 0.50201470626761 0.16608385977581 92.906 > 53 63 Nb 0.36844083625579 0.99798529373239 0.83391614022419 92.906 > 55 64 Nb 0.86844083625579 0.99798529373239 0.83391614022419 92.906 > 55 65 Ba 0.37801320737715 0.19933232607431 0.14359802222988 137.327 > 65 66 Ba 0.87801320737715 0.19933232607431 0.14359802222988 137.327 > 65 67 Ba 0.12801320737715 0.30066767392569 0.64359802222988 137.327 > 67 68 Ba 0.62801320737715 0.30066767392569 0.64359802222988 137.327 > 67 69 Ba 0.37198679262285 0.30066767392569 0.85640197777012 137.327 > 69 70 Ba 0.87198679262285 0.30066767392569 0.85640197777012 137.327 > 69 71 Ba 0.12198679262285 0.19933232607431 0.35640197777012 137.327 > 71 72 Ba 0.62198679262285 0.19933232607431 0.35640197777012 137.327 > 71 73 Ba 0.37960589422342 0.11349638123342 0.57695688330433 137.327 > 73 74 Ba 0.87960589422342 0.11349638123342 0.57695688330433 137.327 > 73 75 Ba 0.12039410577658 0.11349638123342 0.92304311669567 137.327 > 75 76 Ba 0.62039410577658 0.11349638123342 0.92304311669567 137.327 > 75 77 Ba 0.37039410577658 0.38650361876658 0.42304311669567 137.327 > 77 78 Ba 0.87039410577658 0.38650361876658 0.42304311669567 137.327 > 77 79 Ba 0.12960589422342 0.38650361876658 0.07695688330433 137.327 > 79 80 Ba 0.62960589422342 0.38650361876658 0.07695688330433 137.327 > 79 81 Ba 0.12801320737715 0.69933232607431 0.14359802222988 137.327 > 65 82 Ba 0.62801320737715 0.69933232607431 0.14359802222988 137.327 > 65 83 Ba 0.37801320737715 0.80066767392569 0.64359802222988 137.327 > 67 84 Ba 0.87801320737715 0.80066767392569 0.64359802222988 137.327 > 67 85 Ba 0.12198679262285 0.80066767392569 0.85640197777012 137.327 > 69 86 Ba 0.62198679262285 0.80066767392569 0.85640197777012 137.327 > 69 87 Ba 0.37198679262285 0.69933232607431 0.35640197777012 137.327 > 71 88 Ba 0.87198679262285 0.69933232607431 0.35640197777012 137.327 > 71 89 Ba 0.12960589422342 0.61349638123342 0.57695688330433 137.327 > 73 90 Ba 0.62960589422342 0.61349638123342 0.57695688330433 137.327 > 73 91 Ba 0.37039410577658 0.61349638123342 0.92304311669567 137.327 > 75 92 Ba 0.87039410577658 0.61349638123342 0.92304311669567 137.327 > 75 93 Ba 0.12039410577658 0.88650361876658 0.42304311669567 137.327 > 77 94 Ba 0.62039410577658 0.88650361876658 0.42304311669567 137.327 > 77 95 Ba 0.37960589422342 0.88650361876658 0.07695688330433 137.327 > 79 96 Ba 0.87960589422342 0.88650361876658 0.07695688330433 137.327 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8837078 0.0000000 -0.0931575 0.0000000 6.4731546 0.0000000 -0.0931315 0.0000000 6.9295384 -------------------------- Born effective charges -------------------------- 1 N -2.1498095 -0.1133890 -0.1111497 -0.2134557 -3.0445533 -1.1344491 -0.2671582 -1.1399872 -3.8570326 2 N -2.1498095 0.1133890 -0.1111497 0.2134557 -3.0445533 1.1344491 -0.2671582 1.1399872 -3.8570326 3 N -2.1498095 -0.1133890 -0.1111497 -0.2134557 -3.0445533 -1.1344491 -0.2671582 -1.1399872 -3.8570326 4 N -2.1498095 0.1133890 -0.1111497 0.2134557 -3.0445533 1.1344491 -0.2671582 1.1399872 -3.8570326 5 N -4.9859663 0.0000000 2.1431091 0.0000000 -1.1063495 0.0000000 2.0846583 0.0000000 -2.9523453 6 N -4.9859663 0.0000000 2.1431091 0.0000000 -1.1063495 0.0000000 2.0846583 0.0000000 -2.9523453 7 N -3.9285585 0.0000000 -1.8527485 0.0000000 -1.6715395 0.0000000 -1.4466997 0.0000000 -2.8742982 8 N -2.3212042 -0.6028491 0.0585535 -0.4134683 -4.0139968 0.6063277 -0.0171083 0.8480913 -2.3505237 9 N -2.3212042 0.6028491 0.0585535 0.4134683 -4.0139968 -0.6063277 -0.0171083 -0.8480913 -2.3505237 10 N -2.3212042 -0.6028491 0.0585535 -0.4134683 -4.0139968 0.6063277 -0.0171083 0.8480913 -2.3505237 11 N -2.3212042 0.6028491 0.0585535 0.4134683 -4.0139968 -0.6063277 -0.0171083 -0.8480913 -2.3505237 12 N -3.9285585 0.0000000 -1.8527485 0.0000000 -1.6715395 0.0000000 -1.4466997 0.0000000 -2.8742982 13 Nb 3.8692070 0.0755501 -0.0885212 -0.1642060 2.9346155 -0.5378135 -0.1615498 0.1341747 3.4998630 14 Nb 3.8692070 0.0755501 -0.0885212 -0.1642060 2.9346155 -0.5378135 -0.1615498 0.1341747 3.4998630 15 Nb 3.8692070 -0.0755501 -0.0885212 0.1642060 2.9346155 0.5378135 -0.1615498 -0.1341747 3.4998630 16 Nb 3.8692070 -0.0755501 -0.0885212 0.1642060 2.9346155 0.5378135 -0.1615498 -0.1341747 3.4998630 17 Ba 2.7391651 0.0605071 0.1044816 0.1343840 3.0479940 -0.2307042 0.0179090 0.0311641 2.7412365 18 Ba 2.7391651 -0.0605071 0.1044816 -0.1343840 3.0479940 0.2307042 0.0179090 -0.0311641 2.7412365 19 Ba 2.7391651 0.0605071 0.1044816 0.1343840 3.0479940 -0.2307042 0.0179090 0.0311641 2.7412365 20 Ba 2.7391651 -0.0605071 0.1044816 -0.1343840 3.0479940 0.2307042 0.0179090 -0.0311641 2.7412365 21 Ba 2.3199040 0.0241115 -0.1085446 0.0216637 2.4648851 0.3049412 0.1089279 0.2691641 2.8797785 22 Ba 2.3199040 -0.0241115 -0.1085446 -0.0216637 2.4648851 -0.3049412 0.1089279 -0.2691641 2.8797785 23 Ba 2.3199040 0.0241115 -0.1085446 0.0216637 2.4648851 0.3049412 0.1089279 0.2691641 2.8797785 24 Ba 2.3199040 -0.0241115 -0.1085446 -0.0216637 2.4648851 -0.3049412 0.1089279 -0.2691641 2.8797785 ---------------------------------------------------------------------------- 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 13, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 15, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 65, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 73, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:49:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:49:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.078248495291803 -5.890739219999999 0.000000000000000 b 3.078248495291803 5.890739219999999 0.000000000000000 c -0.379293296238487 0.000000000000000 13.204564158688839 Atomic positions (fractional): 1 N 0.69083218110608 0.86959740909303 0.95240466926431 14.007 2 N 0.13040259090697 0.30916781889392 0.54759533073569 14.007 3 N 0.30916781889392 0.13040259090697 0.04759533073569 14.007 4 N 0.86959740909303 0.69083218110608 0.45240466926431 14.007 5 N 0.99552911844040 0.00447088155960 0.75000000000000 14.007 6 N 0.00447088155960 0.99552911844040 0.25000000000000 14.007 7 N 0.42814358624709 0.57185641375291 0.75000000000000 14.007 8 N 0.16217230225756 0.47771338277977 0.12857756395154 14.007 9 N 0.47771338277977 0.16217230225756 0.62857756395154 14.007 10 N 0.83782769774244 0.52228661722023 0.87142243604846 14.007 11 N 0.52228661722023 0.83782769774244 0.37142243604846 14.007 12 N 0.57185641375291 0.42814358624709 0.25000000000000 14.007 13 Nb 0.73486696624397 0.73889637877919 0.33391614022419 92.906 14 Nb 0.26513303375603 0.26110362122081 0.66608385977581 92.906 15 Nb 0.26110362122081 0.26513303375603 0.16608385977581 92.906 16 Nb 0.73889637877919 0.73486696624397 0.83391614022419 92.906 17 Ba 0.55669408868000 0.95535874082862 0.14359802222988 137.327 18 Ba 0.95535874082862 0.55669408868000 0.64359802222988 137.327 19 Ba 0.44330591132000 0.04464125917138 0.85640197777012 137.327 20 Ba 0.04464125917138 0.44330591132000 0.35640197777012 137.327 21 Ba 0.64571540721342 0.87270816968026 0.57695688330433 137.327 22 Ba 0.12729183031974 0.35428459278658 0.92304311669567 137.327 23 Ba 0.35428459278658 0.12729183031974 0.42304311669567 137.327 24 Ba 0.87270816968026 0.64571540721342 0.07695688330433 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.312993981167212 0.000000000000000 0.000000000000000 b 0.000000000000000 11.781478439999999 0.000000000000000 c -0.379293296238487 0.000000000000000 13.204564158688839 Atomic positions (fractional): 1 N 0.39010739754978 0.08938261399347 0.95240466926431 14.007 > 1 2 N 0.89010739754978 0.08938261399347 0.95240466926431 14.007 > 1 3 N 0.10989260245022 0.08938261399347 0.54759533073569 14.007 > 3 4 N 0.60989260245022 0.08938261399347 0.54759533073569 14.007 > 3 5 N 0.35989260245022 0.41061738600652 0.04759533073569 14.007 > 5 6 N 0.85989260245022 0.41061738600652 0.04759533073569 14.007 > 5 7 N 0.14010739754978 0.41061738600652 0.45240466926431 14.007 > 7 8 N 0.64010739754978 0.41061738600652 0.45240466926431 14.007 > 7 9 N 0.00000000000000 0.00447088155960 0.75000000000000 14.007 > 9 10 N 0.50000000000000 0.00447088155960 0.75000000000000 14.007 > 9 11 N 0.25000000000000 0.49552911844040 0.25000000000000 14.007 > 11 12 N 0.75000000000000 0.49552911844040 0.25000000000000 14.007 > 11 13 N 0.25000000000000 0.07185641375291 0.75000000000000 14.007 > 13 14 N 0.75000000000000 0.07185641375291 0.75000000000000 14.007 > 13 15 N 0.15997142125933 0.15777054026111 0.12857756395154 14.007 > 15 16 N 0.65997142125933 0.15777054026111 0.12857756395154 14.007 > 15 17 N 0.40997142125933 0.34222945973890 0.62857756395154 14.007 > 17 18 N 0.90997142125933 0.34222945973890 0.62857756395154 14.007 > 17 19 N 0.09002857874067 0.34222945973890 0.87142243604846 14.007 > 19 20 N 0.59002857874067 0.34222945973890 0.87142243604846 14.007 > 19 21 N 0.34002857874067 0.15777054026111 0.37142243604846 14.007 > 21 22 N 0.84002857874067 0.15777054026111 0.37142243604846 14.007 > 21 23 N 0.00000000000000 0.42814358624709 0.25000000000000 14.007 > 23 24 N 0.50000000000000 0.42814358624709 0.25000000000000 14.007 > 23 25 N 0.14010739754978 0.58938261399348 0.95240466926431 14.007 > 1 26 N 0.64010739754978 0.58938261399348 0.95240466926431 14.007 > 1 27 N 0.35989260245022 0.58938261399348 0.54759533073569 14.007 > 3 28 N 0.85989260245022 0.58938261399348 0.54759533073569 14.007 > 3 29 N 0.10989260245022 0.91061738600652 0.04759533073569 14.007 > 5 30 N 0.60989260245022 0.91061738600652 0.04759533073569 14.007 > 5 31 N 0.39010739754978 0.91061738600652 0.45240466926431 14.007 > 7 32 N 0.89010739754978 0.91061738600652 0.45240466926431 14.007 > 7 33 N 0.25000000000000 0.50447088155960 0.75000000000000 14.007 > 9 34 N 0.75000000000000 0.50447088155960 0.75000000000000 14.007 > 9 35 N 0.00000000000000 0.99552911844040 0.25000000000000 14.007 > 11 36 N 0.50000000000000 0.99552911844040 0.25000000000000 14.007 > 11 37 N 0.00000000000000 0.57185641375291 0.75000000000000 14.007 > 13 38 N 0.50000000000000 0.57185641375291 0.75000000000000 14.007 > 13 39 N 0.40997142125933 0.65777054026111 0.12857756395154 14.007 > 15 40 N 0.90997142125933 0.65777054026111 0.12857756395154 14.007 > 15 41 N 0.15997142125933 0.84222945973889 0.62857756395154 14.007 > 17 42 N 0.65997142125933 0.84222945973889 0.62857756395154 14.007 > 17 43 N 0.34002857874067 0.84222945973889 0.87142243604846 14.007 > 19 44 N 0.84002857874067 0.84222945973889 0.87142243604846 14.007 > 19 45 N 0.09002857874067 0.65777054026111 0.37142243604846 14.007 > 21 46 N 0.59002857874067 0.65777054026111 0.37142243604846 14.007 > 21 47 N 0.25000000000000 0.92814358624709 0.25000000000000 14.007 > 23 48 N 0.75000000000000 0.92814358624709 0.25000000000000 14.007 > 23 49 Nb 0.36844083625579 0.00201470626761 0.33391614022419 92.906 > 49 50 Nb 0.86844083625579 0.00201470626761 0.33391614022419 92.906 > 49 51 Nb 0.38155916374421 0.49798529373239 0.66608385977581 92.906 > 51 52 Nb 0.88155916374421 0.49798529373239 0.66608385977581 92.906 > 51 53 Nb 0.13155916374421 0.00201470626761 0.16608385977581 92.906 > 53 54 Nb 0.63155916374421 0.00201470626761 0.16608385977581 92.906 > 53 55 Nb 0.11844083625579 0.49798529373239 0.83391614022419 92.906 > 55 56 Nb 0.61844083625579 0.49798529373239 0.83391614022419 92.906 > 55 57 Nb 0.11844083625579 0.50201470626761 0.33391614022419 92.906 > 49 58 Nb 0.61844083625579 0.50201470626761 0.33391614022419 92.906 > 49 59 Nb 0.13155916374421 0.99798529373239 0.66608385977581 92.906 > 51 60 Nb 0.63155916374421 0.99798529373239 0.66608385977581 92.906 > 51 61 Nb 0.38155916374421 0.50201470626761 0.16608385977581 92.906 > 53 62 Nb 0.88155916374421 0.50201470626761 0.16608385977581 92.906 > 53 63 Nb 0.36844083625579 0.99798529373239 0.83391614022419 92.906 > 55 64 Nb 0.86844083625579 0.99798529373239 0.83391614022419 92.906 > 55 65 Ba 0.37801320737715 0.19933232607431 0.14359802222988 137.327 > 65 66 Ba 0.87801320737715 0.19933232607431 0.14359802222988 137.327 > 65 67 Ba 0.12801320737715 0.30066767392569 0.64359802222988 137.327 > 67 68 Ba 0.62801320737715 0.30066767392569 0.64359802222988 137.327 > 67 69 Ba 0.37198679262285 0.30066767392569 0.85640197777012 137.327 > 69 70 Ba 0.87198679262285 0.30066767392569 0.85640197777012 137.327 > 69 71 Ba 0.12198679262285 0.19933232607431 0.35640197777012 137.327 > 71 72 Ba 0.62198679262285 0.19933232607431 0.35640197777012 137.327 > 71 73 Ba 0.37960589422342 0.11349638123342 0.57695688330433 137.327 > 73 74 Ba 0.87960589422342 0.11349638123342 0.57695688330433 137.327 > 73 75 Ba 0.12039410577658 0.11349638123342 0.92304311669567 137.327 > 75 76 Ba 0.62039410577658 0.11349638123342 0.92304311669567 137.327 > 75 77 Ba 0.37039410577658 0.38650361876658 0.42304311669567 137.327 > 77 78 Ba 0.87039410577658 0.38650361876658 0.42304311669567 137.327 > 77 79 Ba 0.12960589422342 0.38650361876658 0.07695688330433 137.327 > 79 80 Ba 0.62960589422342 0.38650361876658 0.07695688330433 137.327 > 79 81 Ba 0.12801320737715 0.69933232607431 0.14359802222988 137.327 > 65 82 Ba 0.62801320737715 0.69933232607431 0.14359802222988 137.327 > 65 83 Ba 0.37801320737715 0.80066767392569 0.64359802222988 137.327 > 67 84 Ba 0.87801320737715 0.80066767392569 0.64359802222988 137.327 > 67 85 Ba 0.12198679262285 0.80066767392569 0.85640197777012 137.327 > 69 86 Ba 0.62198679262285 0.80066767392569 0.85640197777012 137.327 > 69 87 Ba 0.37198679262285 0.69933232607431 0.35640197777012 137.327 > 71 88 Ba 0.87198679262285 0.69933232607431 0.35640197777012 137.327 > 71 89 Ba 0.12960589422342 0.61349638123342 0.57695688330433 137.327 > 73 90 Ba 0.62960589422342 0.61349638123342 0.57695688330433 137.327 > 73 91 Ba 0.37039410577658 0.61349638123342 0.92304311669567 137.327 > 75 92 Ba 0.87039410577658 0.61349638123342 0.92304311669567 137.327 > 75 93 Ba 0.12039410577658 0.88650361876658 0.42304311669567 137.327 > 77 94 Ba 0.62039410577658 0.88650361876658 0.42304311669567 137.327 > 77 95 Ba 0.37960589422342 0.88650361876658 0.07695688330433 137.327 > 79 96 Ba 0.87960589422342 0.88650361876658 0.07695688330433 137.327 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8837078 0.0000000 -0.0931575 0.0000000 6.4731546 0.0000000 -0.0931315 0.0000000 6.9295384 -------------------------- Born effective charges -------------------------- 1 N -2.1498095 -0.1133890 -0.1111497 -0.2134557 -3.0445533 -1.1344491 -0.2671582 -1.1399872 -3.8570326 2 N -2.1498095 0.1133890 -0.1111497 0.2134557 -3.0445533 1.1344491 -0.2671582 1.1399872 -3.8570326 3 N -2.1498095 -0.1133890 -0.1111497 -0.2134557 -3.0445533 -1.1344491 -0.2671582 -1.1399872 -3.8570326 4 N -2.1498095 0.1133890 -0.1111497 0.2134557 -3.0445533 1.1344491 -0.2671582 1.1399872 -3.8570326 5 N -4.9859663 0.0000000 2.1431091 0.0000000 -1.1063495 0.0000000 2.0846583 0.0000000 -2.9523453 6 N -4.9859663 0.0000000 2.1431091 0.0000000 -1.1063495 0.0000000 2.0846583 0.0000000 -2.9523453 7 N -3.9285585 0.0000000 -1.8527485 0.0000000 -1.6715395 0.0000000 -1.4466997 0.0000000 -2.8742982 8 N -2.3212042 -0.6028491 0.0585535 -0.4134683 -4.0139968 0.6063277 -0.0171083 0.8480913 -2.3505237 9 N -2.3212042 0.6028491 0.0585535 0.4134683 -4.0139968 -0.6063277 -0.0171083 -0.8480913 -2.3505237 10 N -2.3212042 -0.6028491 0.0585535 -0.4134683 -4.0139968 0.6063277 -0.0171083 0.8480913 -2.3505237 11 N -2.3212042 0.6028491 0.0585535 0.4134683 -4.0139968 -0.6063277 -0.0171083 -0.8480913 -2.3505237 12 N -3.9285585 0.0000000 -1.8527485 0.0000000 -1.6715395 0.0000000 -1.4466997 0.0000000 -2.8742982 13 Nb 3.8692070 0.0755501 -0.0885212 -0.1642060 2.9346155 -0.5378135 -0.1615498 0.1341747 3.4998630 14 Nb 3.8692070 0.0755501 -0.0885212 -0.1642060 2.9346155 -0.5378135 -0.1615498 0.1341747 3.4998630 15 Nb 3.8692070 -0.0755501 -0.0885212 0.1642060 2.9346155 0.5378135 -0.1615498 -0.1341747 3.4998630 16 Nb 3.8692070 -0.0755501 -0.0885212 0.1642060 2.9346155 0.5378135 -0.1615498 -0.1341747 3.4998630 17 Ba 2.7391651 0.0605071 0.1044816 0.1343840 3.0479940 -0.2307042 0.0179090 0.0311641 2.7412365 18 Ba 2.7391651 -0.0605071 0.1044816 -0.1343840 3.0479940 0.2307042 0.0179090 -0.0311641 2.7412365 19 Ba 2.7391651 0.0605071 0.1044816 0.1343840 3.0479940 -0.2307042 0.0179090 0.0311641 2.7412365 20 Ba 2.7391651 -0.0605071 0.1044816 -0.1343840 3.0479940 0.2307042 0.0179090 -0.0311641 2.7412365 21 Ba 2.3199040 0.0241115 -0.1085446 0.0216637 2.4648851 0.3049412 0.1089279 0.2691641 2.8797785 22 Ba 2.3199040 -0.0241115 -0.1085446 -0.0216637 2.4648851 -0.3049412 0.1089279 -0.2691641 2.8797785 23 Ba 2.3199040 0.0241115 -0.1085446 0.0216637 2.4648851 0.3049412 0.1089279 0.2691641 2.8797785 24 Ba 2.3199040 -0.0241115 -0.1085446 -0.0216637 2.4648851 -0.3049412 0.1089279 -0.2691641 2.8797785 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) --------------------------- 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 ... [ 9 9 4 ] 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: 0.53, Number of G-points: 303, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/95) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.338 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.794 ( 0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 0.000) 0.000 2.163 ( 0.000 0.000 0.000) 0.000 2.181 ( 0.000 0.000 0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.413 ( 0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 0.000) 0.000 4.049 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.310 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.766 ( 0.000 0.000 0.000) 0.000 5.811 ( 0.000 0.000 0.000) 0.000 5.840 ( 0.000 0.000 0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 6.859 ( 0.000 0.000 0.000) 0.000 7.305 ( 0.000 0.000 0.000) 0.000 7.538 ( 0.000 0.000 0.000) 0.000 7.708 ( 0.000 0.000 0.000) 0.000 7.912 ( 0.000 0.000 0.000) 0.000 8.111 ( 0.000 0.000 0.000) 0.000 8.140 ( 0.000 0.000 0.000) 0.000 8.885 ( 0.000 0.000 0.000) 0.000 9.344 ( 0.000 0.000 0.000) 0.000 9.564 ( 0.000 0.000 0.000) 0.000 9.591 ( 0.000 0.000 0.000) 0.000 9.742 ( 0.000 0.000 0.000) 0.000 9.943 ( 0.000 0.000 0.000) 0.000 10.155 ( 0.000 0.000 0.000) 0.000 10.392 ( 0.000 0.000 0.000) 0.000 10.693 ( 0.000 0.000 0.000) 0.000 11.078 ( 0.000 0.000 0.000) 0.000 11.252 ( 0.000 0.000 0.000) 0.000 11.466 ( 0.000 0.000 0.000) 0.000 14.037 ( 0.000 0.000 0.000) 0.000 14.122 ( 0.000 0.000 0.000) 0.000 19.409 ( 0.000 0.000 0.000) 0.000 19.429 ( 0.000 0.000 0.000) 0.000 19.477 ( 0.000 0.000 0.000) 0.000 20.137 ( 0.000 0.000 0.000) 0.000 20.244 ( 0.000 0.000 0.000) 0.000 20.632 ( 0.000 0.000 0.000) 0.000 20.804 ( 0.000 0.000 0.000) 0.000 22.197 ( 0.000 0.000 0.000) 0.000 23.135 ( 0.000 0.000 0.000) 0.000 23.403 ( 0.000 0.000 0.000) 0.000 26.483 ( 0.000 0.000 0.000) 0.000 26.638 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/95) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 18.846 -13.181 6.761) 23.971 0.505 ( 19.541 -15.618 -0.679) 25.025 0.867 ( 36.959 -14.208 -4.279) 39.827 1.551 ( 16.806 -0.341 -0.296) 16.812 1.622 ( -4.733 -2.199 -0.146) 5.221 1.661 ( -0.680 -6.647 1.970) 6.966 1.877 ( 6.376 -3.750 -4.657) 8.741 1.930 ( -1.733 -3.216 2.444) 4.395 2.146 ( 0.317 5.209 0.777) 5.276 2.172 ( 3.487 7.197 -1.016) 8.062 2.245 ( 2.324 -4.511 -1.921) 5.426 2.363 ( 1.696 -7.618 -1.047) 7.874 2.433 ( -2.727 -0.452 1.191) 3.010 2.703 ( -7.311 3.329 -0.611) 8.057 2.863 ( -4.993 1.671 0.467) 5.286 2.995 ( -2.895 2.451 1.447) 4.060 3.032 ( -4.836 1.311 2.769) 5.725 3.121 ( 1.721 1.642 -3.737) 4.429 3.173 ( -0.637 1.947 2.876) 3.531 3.253 ( -2.855 -0.904 -0.722) 3.080 3.407 ( 1.558 4.383 -0.978) 4.753 3.430 ( -4.685 0.351 3.127) 5.644 3.630 ( -4.387 3.977 -0.382) 5.934 3.739 ( 4.134 -0.652 -4.116) 5.870 3.884 ( 3.087 5.848 1.995) 6.907 4.050 ( 12.024 8.368 0.258) 14.651 4.265 ( 2.645 -2.747 0.262) 3.822 4.470 ( -11.095 0.892 4.466) 11.994 4.499 ( -6.493 -3.682 10.470) 12.858 4.571 ( -1.378 -1.207 -15.682) 15.788 4.875 ( 2.977 6.203 3.956) 7.937 4.954 ( -0.568 1.076 -16.066) 16.112 5.127 ( 1.398 -5.708 0.224) 5.881 5.485 ( 15.030 0.815 1.637) 15.140 5.557 ( 6.060 4.369 9.562) 12.135 5.685 ( 4.533 -3.714 -8.651) 10.449 5.889 ( 8.063 4.061 7.084) 11.476 6.208 ( 25.735 1.536 14.480) 29.569 6.537 ( -4.904 -9.521 -2.522) 11.003 6.882 ( 1.416 -1.720 2.463) 3.321 7.414 ( 9.862 -1.230 -6.872) 12.083 7.614 ( 3.946 1.450 0.345) 4.218 7.679 ( 1.912 3.220 -2.135) 4.311 7.940 ( -7.234 2.765 4.738) 9.079 8.036 ( -0.898 -3.775 4.293) 5.787 8.158 ( -1.825 -1.131 -5.133) 5.564 9.207 ( -3.461 -0.265 14.998) 15.394 9.374 ( -17.383 -4.109 1.003) 17.890 9.591 ( -1.380 1.331 -0.272) 1.937 9.715 ( 12.179 20.306 -10.856) 26.049 9.870 ( 10.772 3.811 -1.519) 11.527 9.982 ( 1.861 -2.383 -5.346) 6.142 10.257 ( 5.827 -4.517 4.956) 8.884 10.433 ( 5.971 4.240 -8.609) 11.302 10.664 ( -3.123 -0.441 8.985) 9.523 11.015 ( -3.349 1.120 -2.684) 4.436 11.370 ( 9.619 -0.289 -9.298) 13.381 11.553 ( 8.168 2.774 9.357) 12.727 14.037 ( -0.056 -0.254 -1.584) 1.606 14.178 ( -1.185 -5.135 1.107) 5.385 19.424 ( 0.223 -0.855 -1.062) 1.381 19.452 ( 0.940 -1.896 -2.775) 3.489 19.476 ( -0.629 -2.198 5.330) 5.800 20.156 ( -0.330 2.385 5.475) 5.981 20.364 ( -11.936 -18.569 16.512) 27.567 20.555 ( -7.794 -1.866 -5.107) 9.503 22.050 ( -11.863 6.201 2.443) 13.607 22.590 ( -21.910 10.164 -13.864) 27.849 23.534 ( 26.361 7.427 -3.344) 27.590 23.633 ( 20.473 -3.078 -1.985) 20.798 26.592 ( -4.581 0.379 1.812) 4.940 26.615 ( 1.307 6.464 -12.638) 14.255 ======================= Grid point 2 (3/95) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 15.448 -13.040 5.110) 20.852 0.988 ( 18.583 -12.544 1.637) 22.480 1.392 ( 4.397 -1.308 -8.517) 9.674 1.630 ( 0.963 -8.853 -0.651) 8.929 1.641 ( 3.640 -2.671 0.379) 4.531 1.878 ( 5.230 -6.913 1.697) 8.833 1.976 ( 4.976 -5.465 1.205) 7.489 2.036 ( 5.136 -5.205 1.922) 7.561 2.140 ( 3.685 2.846 -0.229) 4.662 2.185 ( 5.552 5.444 1.502) 7.920 2.333 ( 0.282 1.291 -5.381) 5.541 2.428 ( 8.194 -2.617 -1.146) 8.678 2.493 ( 2.286 -4.019 2.709) 5.359 2.541 ( -4.348 2.121 -1.126) 4.967 2.759 ( -6.065 0.333 0.088) 6.074 2.862 ( -8.321 0.238 -4.749) 9.584 2.930 ( -1.871 1.282 3.402) 4.088 3.097 ( -2.460 3.524 3.318) 5.429 3.141 ( -0.335 1.389 0.022) 1.429 3.257 ( 2.328 0.618 0.353) 2.435 3.325 ( -5.863 -0.203 4.946) 7.674 3.371 ( -0.197 7.005 -1.793) 7.234 3.515 ( -3.661 2.483 -2.828) 5.250 3.810 ( 1.015 2.499 2.109) 3.424 3.914 ( 5.927 1.928 -1.267) 6.360 4.186 ( 7.327 2.773 -0.821) 7.877 4.323 ( -0.452 -1.508 0.778) 1.756 4.345 ( 2.474 -0.947 -3.649) 4.509 4.424 ( -3.890 -0.067 -1.445) 4.150 4.620 ( 3.976 0.120 -2.148) 4.521 4.687 ( -9.844 1.624 5.231) 11.265 4.941 ( -1.910 4.344 -3.248) 5.750 5.293 ( 7.565 -3.416 5.560) 9.990 5.624 ( 6.388 5.706 -6.061) 10.493 5.771 ( 13.863 -2.797 3.239) 14.508 5.837 ( 5.403 -3.073 -8.843) 10.809 6.112 ( 20.923 2.683 6.991) 22.222 6.530 ( 6.111 1.860 -3.797) 7.432 6.692 ( 23.111 1.673 11.252) 25.759 6.939 ( 2.749 -2.133 4.107) 5.383 7.559 ( 6.019 3.325 -8.098) 10.623 7.671 ( 2.680 0.461 -5.704) 6.319 7.728 ( -5.377 2.534 6.227) 8.609 7.800 ( 5.782 1.878 0.101) 6.080 8.051 ( 1.654 0.041 8.812) 8.966 8.187 ( 2.911 -2.988 -8.979) 9.901 9.001 ( -19.021 -3.342 -1.558) 19.376 9.142 ( -15.936 -5.807 1.560) 17.033 9.541 ( -0.960 4.011 -1.374) 4.347 9.799 ( 9.627 3.497 4.578) 11.219 9.906 ( -1.643 0.645 -0.403) 1.810 10.130 ( 10.112 4.077 5.500) 12.212 10.406 ( 5.744 -1.746 -4.623) 7.578 10.496 ( 7.077 2.450 -9.718) 12.269 10.640 ( -0.426 -2.999 5.909) 6.640 11.002 ( 2.894 0.997 0.773) 3.156 11.573 ( 13.312 2.740 -8.591) 16.079 11.675 ( 8.237 4.603 8.557) 12.738 14.037 ( -0.289 -0.520 -2.510) 2.579 14.215 ( 1.995 -0.777 1.871) 2.843 19.420 ( -1.224 0.600 3.527) 3.781 19.445 ( -0.649 -1.345 -4.153) 4.414 19.565 ( 2.751 -7.370 -0.439) 7.879 20.110 ( -3.489 0.496 1.485) 3.825 20.316 ( -8.097 -7.699 7.378) 13.389 20.462 ( -5.072 -7.303 -1.298) 8.985 21.710 ( -16.583 8.756 2.943) 18.982 22.097 ( -22.071 8.271 -7.932) 24.869 23.944 ( 24.438 4.121 -0.165) 24.784 24.040 ( 20.930 -0.650 -1.383) 20.985 26.485 ( -6.583 0.020 2.322) 6.980 26.552 ( -2.622 3.248 -4.495) 6.134 ======================= Grid point 3 (4/95) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 2.495 -4.009 2.185) 5.203 1.341 ( 9.767 -5.591 -1.158) 11.314 1.496 ( 10.451 -5.639 0.531) 11.887 1.600 ( -2.938 -4.069 -4.227) 6.561 1.705 ( -2.217 -0.377 2.892) 3.663 1.946 ( 0.107 -6.514 2.428) 6.953 2.082 ( 0.945 -1.297 -3.608) 3.949 2.109 ( -4.954 -0.311 -1.538) 5.197 2.214 ( 6.067 0.250 6.712) 9.051 2.287 ( 4.212 -1.253 -0.932) 4.492 2.369 ( 5.175 1.438 -2.675) 6.000 2.500 ( -1.325 0.719 1.461) 2.099 2.548 ( -3.066 1.066 -3.326) 4.648 2.565 ( 2.872 -4.824 3.243) 6.484 2.632 ( 2.432 -3.354 -0.878) 4.235 2.842 ( -0.825 1.326 -1.753) 2.348 2.928 ( 1.695 -0.916 -2.511) 3.165 3.040 ( 0.905 1.388 2.934) 3.370 3.116 ( -0.488 1.806 1.268) 2.260 3.245 ( -0.748 7.532 -1.287) 7.678 3.271 ( -3.119 -6.651 2.442) 7.741 3.333 ( 3.737 2.905 -0.984) 4.835 3.462 ( -0.768 0.312 -3.197) 3.302 3.711 ( -5.818 4.731 6.945) 10.221 4.048 ( 8.387 1.237 -3.879) 9.323 4.202 ( -3.591 0.851 0.725) 3.761 4.329 ( -0.823 1.958 0.617) 2.211 4.404 ( 4.310 -1.084 -7.058) 8.341 4.458 ( 2.611 -2.586 2.346) 4.360 4.581 ( 1.004 0.100 2.521) 2.715 4.693 ( 3.354 -0.728 -2.280) 4.121 4.852 ( -2.572 3.372 0.724) 4.302 5.387 ( 0.317 -1.091 3.715) 3.885 5.669 ( 6.106 6.339 -4.412) 9.846 5.908 ( 2.033 -0.286 -3.475) 4.036 5.987 ( 5.788 -1.984 3.709) 7.155 6.548 ( 23.770 -0.288 0.964) 23.792 6.684 ( 15.682 2.388 -3.057) 16.154 7.036 ( 5.936 -1.912 3.770) 7.287 7.066 ( 17.931 2.737 3.574) 18.487 7.540 ( -0.879 3.459 4.037) 5.389 7.660 ( -0.653 1.286 -0.831) 1.664 7.682 ( -0.868 0.963 -7.011) 7.130 7.859 ( 3.210 2.308 -0.424) 3.977 8.121 ( 2.365 -0.244 6.030) 6.482 8.256 ( -0.443 -2.111 1.596) 2.683 8.727 ( -15.273 -3.160 -3.148) 15.911 8.844 ( -18.119 -4.888 -4.635) 19.331 9.486 ( 0.221 5.060 -3.839) 6.355 9.844 ( -4.907 -0.628 3.936) 6.321 9.961 ( 6.931 -3.299 1.774) 7.878 10.205 ( 3.153 5.215 8.226) 10.237 10.477 ( 9.091 8.303 -7.997) 14.681 10.675 ( 6.930 -5.688 1.642) 9.114 10.716 ( 4.699 -4.704 -5.105) 8.383 11.057 ( 2.572 0.163 2.831) 3.828 11.745 ( 7.773 4.398 2.658) 9.318 11.775 ( 8.158 3.734 -2.249) 9.250 14.034 ( -0.450 -0.602 -2.296) 2.416 14.259 ( 2.386 0.381 1.779) 3.001 19.395 ( -0.939 0.083 4.268) 4.371 19.445 ( -0.484 -0.812 -4.312) 4.415 19.684 ( 2.507 -7.051 -2.232) 7.809 20.032 ( -3.951 0.833 0.797) 4.116 20.248 ( -5.385 -4.708 -0.163) 7.155 20.514 ( 1.020 -9.300 5.646) 10.928 21.346 ( -13.861 7.472 1.900) 15.861 21.642 ( -18.727 8.463 -5.572) 21.292 24.303 ( 17.968 2.329 -0.136) 18.119 24.367 ( 14.861 0.749 -0.429) 14.886 26.372 ( -5.725 -0.094 1.325) 5.877 26.464 ( -3.870 1.948 -1.544) 4.600 ======================= Grid point 4 (5/95) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 0.187 0.065 -0.191) 0.275 1.493 ( 2.949 -2.641 -1.915) 4.398 1.549 ( -1.964 -0.992 -2.519) 3.345 1.583 ( -1.219 3.096 6.561) 7.357 1.856 ( 9.323 -6.063 -2.181) 11.333 1.981 ( -4.589 -3.268 -3.926) 6.867 2.077 ( -1.578 -1.917 -1.200) 2.758 2.084 ( 3.336 -0.457 5.147) 6.150 2.286 ( 3.227 0.708 2.068) 3.897 2.298 ( -2.125 0.823 0.678) 2.377 2.389 ( -0.217 1.904 -1.166) 2.243 2.411 ( -2.379 2.609 1.201) 3.730 2.514 ( -0.123 -1.596 -2.317) 2.816 2.692 ( 2.236 -1.163 4.572) 5.220 2.722 ( -0.040 -5.840 -6.503) 8.741 2.761 ( -2.049 3.496 5.018) 6.450 2.971 ( 1.461 -0.677 -3.945) 4.261 3.053 ( 0.962 2.431 0.988) 2.795 3.116 ( 1.356 0.545 -0.732) 1.634 3.179 ( -0.223 2.729 -0.635) 2.810 3.330 ( 1.065 -6.679 -0.421) 6.777 3.389 ( 4.589 3.041 -0.660) 5.545 3.456 ( -0.588 -0.443 -0.555) 0.922 3.571 ( -5.406 1.949 3.794) 6.886 4.119 ( -0.818 2.008 0.600) 2.250 4.140 ( 0.740 0.350 -2.274) 2.417 4.314 ( 0.746 -0.027 2.963) 3.056 4.398 ( -1.813 0.227 -1.598) 2.427 4.581 ( 4.426 -3.264 -2.159) 5.908 4.612 ( 0.782 0.958 0.481) 1.327 4.736 ( 0.191 -0.363 -1.137) 1.208 4.824 ( 1.379 1.315 1.538) 2.449 5.369 ( -1.218 0.529 1.003) 1.664 5.722 ( 3.414 2.027 -1.539) 4.258 5.937 ( 1.440 0.317 -1.342) 1.994 6.034 ( -0.348 -0.336 1.836) 1.899 6.829 ( 8.079 0.618 -0.526) 8.119 7.022 ( 18.723 1.063 -0.904) 18.775 7.123 ( 0.625 -0.219 4.470) 4.519 7.262 ( 2.025 -1.410 -1.475) 2.875 7.567 ( -6.036 1.067 0.734) 6.173 7.616 ( 9.379 1.960 -2.131) 9.815 7.663 ( 0.341 -0.206 -2.038) 2.076 7.913 ( 7.059 1.383 1.725) 7.397 8.133 ( -1.061 0.173 -0.883) 1.391 8.211 ( -2.456 -0.273 1.321) 2.802 8.335 ( -24.567 -2.496 5.531) 25.306 8.782 ( 1.047 -1.373 -5.412) 5.681 9.464 ( 1.161 2.232 -2.219) 3.355 9.767 ( -3.385 -0.424 2.208) 4.064 10.092 ( 3.983 -3.754 -5.692) 7.897 10.178 ( -1.251 4.172 8.148) 9.239 10.568 ( 5.392 3.034 -1.587) 6.387 10.776 ( 1.719 -1.912 0.159) 2.576 10.862 ( 4.312 -2.730 -3.254) 6.053 11.077 ( -0.196 0.055 2.428) 2.437 11.792 ( 2.253 2.554 2.431) 4.184 11.867 ( 3.487 1.225 -2.295) 4.351 14.031 ( -0.222 -0.284 -0.924) 0.992 14.289 ( 1.012 0.264 0.732) 1.276 19.391 ( 0.090 -0.071 2.969) 2.972 19.437 ( -0.587 -0.261 -2.901) 2.971 19.770 ( 1.201 -3.338 -1.662) 3.918 19.969 ( -1.730 0.955 0.720) 2.103 20.218 ( -1.726 -2.277 -0.849) 2.981 20.633 ( 2.350 -4.901 4.616) 7.131 21.141 ( -2.423 0.637 0.296) 2.523 21.281 ( -11.725 7.180 -3.131) 14.100 24.522 ( 7.229 0.651 -0.448) 7.272 24.545 ( 5.053 0.591 0.300) 5.096 26.297 ( -2.368 -0.065 0.401) 2.403 26.393 ( -1.965 0.719 -0.369) 2.124 ======================= Grid point 10 (6/95) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 18.865 0.000 -4.585) 19.415 0.881 ( 22.752 0.000 4.621) 23.217 1.429 ( 23.825 0.000 -4.093) 24.174 1.492 ( -5.820 -0.000 -5.711) 8.154 1.623 ( 1.340 0.000 -0.026) 1.341 1.820 ( 6.254 0.000 8.219) 10.328 1.920 ( 3.570 0.000 5.692) 6.719 1.977 ( 5.974 0.000 -2.836) 6.613 2.175 ( -2.614 -0.000 -0.787) 2.730 2.319 ( 7.688 0.000 -0.294) 7.694 2.332 ( 10.329 0.000 -7.484) 12.755 2.360 ( 4.378 0.000 2.142) 4.874 2.417 ( 3.787 0.000 1.507) 4.076 2.570 ( -7.364 -0.000 -1.218) 7.464 2.762 ( -7.592 -0.000 0.875) 7.642 2.874 ( -10.284 -0.000 -4.601) 11.267 2.947 ( -2.941 -0.000 2.918) 4.143 3.144 ( -3.628 -0.000 4.275) 5.607 3.145 ( 0.428 0.000 -1.454) 1.516 3.258 ( 1.418 0.000 3.454) 3.734 3.329 ( -4.880 -0.000 3.905) 6.251 3.447 ( -1.088 -0.000 0.642) 1.263 3.547 ( -4.479 -0.000 -6.268) 7.704 3.830 ( 4.545 0.000 -1.508) 4.789 3.948 ( 2.685 0.000 2.109) 3.414 4.240 ( -0.514 -0.000 3.024) 3.067 4.300 ( 8.065 0.000 0.738) 8.098 4.316 ( -1.447 -0.000 -4.642) 4.862 4.421 ( -1.275 -0.000 -3.721) 3.933 4.619 ( 3.741 0.000 -5.024) 6.263 4.705 ( -12.757 -0.000 5.653) 13.953 4.987 ( -3.512 -0.000 -2.548) 4.339 5.254 ( 9.537 0.000 5.588) 11.054 5.696 ( 9.391 0.000 -7.363) 11.933 5.722 ( 11.405 0.000 5.824) 12.805 5.796 ( 6.902 0.000 -9.107) 11.427 6.148 ( 17.975 0.000 10.267) 20.701 6.525 ( 6.418 0.000 -5.942) 8.746 6.709 ( 25.226 0.000 14.896) 29.296 6.922 ( 3.392 0.000 -0.464) 3.424 7.594 ( 9.486 0.000 -7.775) 12.265 7.675 ( 2.095 0.000 -5.580) 5.961 7.743 ( -11.235 -0.000 9.140) 14.483 7.842 ( 13.537 0.000 0.175) 13.538 8.052 ( -6.373 -0.000 -0.709) 6.413 8.140 ( 5.992 0.000 -1.006) 6.075 8.981 ( -20.443 -0.000 -6.314) 21.396 9.071 ( -13.207 -0.000 6.411) 14.681 9.583 ( 0.187 0.000 -1.679) 1.689 9.863 ( 2.487 0.000 11.018) 11.295 9.901 ( -2.956 -0.000 -1.854) 3.490 10.196 ( 16.144 0.000 -1.818) 16.246 10.324 ( 3.434 0.000 4.508) 5.667 10.570 ( 7.014 0.000 -21.972) 23.065 10.601 ( -3.148 -0.000 10.787) 11.237 11.017 ( 2.418 0.000 0.164) 2.424 11.597 ( 13.556 0.000 -9.575) 16.596 11.721 ( 7.843 0.000 9.343) 12.199 14.036 ( -0.031 -0.000 -1.964) 1.964 14.199 ( 3.322 0.000 1.937) 3.846 19.431 ( -2.390 -0.000 3.128) 3.936 19.457 ( 1.036 0.000 -0.369) 1.100 19.464 ( 3.430 0.000 -3.778) 5.103 20.130 ( -4.712 -0.000 3.195) 5.693 20.211 ( -0.607 -0.000 14.920) 14.933 20.390 ( -7.519 -0.000 -8.287) 11.189 21.800 ( -18.090 -0.000 2.869) 18.316 22.180 ( -24.145 -0.000 -9.647) 26.001 24.007 ( 23.093 0.000 0.749) 23.106 24.015 ( 21.351 0.000 -3.001) 21.561 26.485 ( -6.720 -0.000 2.306) 7.105 26.592 ( -4.357 -0.000 -5.393) 6.933 ======================= Grid point 11 (7/95) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 13.676 -7.046 -3.290) 15.732 1.265 ( 16.176 -2.342 0.728) 16.361 1.427 ( 2.140 0.447 -4.989) 5.447 1.565 ( -0.378 -1.856 -2.880) 3.447 1.704 ( 0.035 0.568 2.961) 3.015 1.861 ( -0.204 -2.095 7.224) 7.524 2.057 ( 4.548 -0.975 -6.115) 7.683 2.091 ( -5.457 -0.669 -1.034) 5.595 2.120 ( 10.381 -5.216 8.455) 14.369 2.365 ( 4.045 6.578 0.527) 7.740 2.442 ( 1.848 1.812 -5.464) 6.046 2.489 ( -0.727 -0.392 -1.509) 1.721 2.524 ( -1.455 0.269 2.537) 2.937 2.548 ( 5.081 -0.968 -2.986) 5.972 2.592 ( 0.692 -2.537 2.322) 3.508 2.828 ( 3.960 -1.064 -7.153) 8.245 2.925 ( 0.312 0.256 3.477) 3.501 3.055 ( -4.622 0.682 2.977) 5.540 3.145 ( -0.633 -0.282 2.193) 2.299 3.188 ( -5.404 -0.906 4.829) 7.303 3.350 ( 2.309 2.869 0.027) 3.683 3.379 ( -0.822 0.742 1.616) 1.959 3.500 ( -0.594 2.538 -9.579) 9.927 3.796 ( -5.165 3.271 7.473) 9.655 4.067 ( 9.119 0.714 -4.466) 10.179 4.195 ( -4.628 -0.872 2.118) 5.164 4.336 ( -0.408 -0.410 3.995) 4.037 4.391 ( 1.599 -0.240 -5.747) 5.970 4.433 ( 1.499 -0.506 -1.858) 2.440 4.595 ( 3.679 1.297 1.047) 4.039 4.671 ( 1.667 -1.407 -4.138) 4.678 4.902 ( -3.958 1.364 2.560) 4.907 5.366 ( 2.697 -0.733 4.202) 5.047 5.793 ( 3.897 6.285 -3.124) 8.028 5.866 ( 1.873 -2.455 -3.175) 4.430 5.922 ( 5.168 -4.530 0.813) 6.920 6.552 ( 23.952 0.438 3.296) 24.181 6.711 ( 15.149 0.398 -4.100) 15.699 7.004 ( 5.475 -0.910 -1.808) 5.837 7.107 ( 17.158 1.245 9.200) 19.508 7.589 ( -3.257 1.424 5.732) 6.745 7.677 ( -0.880 0.631 -7.202) 7.283 7.704 ( 0.488 0.699 -2.910) 3.032 7.936 ( 0.752 5.088 1.400) 5.330 8.084 ( 4.363 -3.571 9.060) 10.671 8.210 ( 0.590 -1.729 -1.794) 2.561 8.698 ( -10.859 0.226 -8.045) 13.516 8.754 ( -19.867 -3.912 -1.154) 20.281 9.576 ( 0.125 3.134 -4.789) 5.724 9.840 ( -3.130 -0.023 -1.774) 3.598 9.928 ( 3.932 -0.437 11.144) 11.825 10.320 ( 2.731 6.589 3.081) 7.769 10.498 ( 8.627 -6.524 0.595) 10.833 10.576 ( -0.276 -2.333 11.934) 12.163 10.704 ( 10.770 2.493 -20.850) 23.600 11.061 ( 1.538 0.154 2.626) 3.047 11.798 ( 8.993 1.327 -5.419) 10.583 11.830 ( 4.396 1.635 5.038) 6.883 14.034 ( 0.127 0.287 -1.289) 1.327 14.257 ( 2.442 -0.353 1.307) 2.792 19.396 ( -1.339 -0.008 4.490) 4.685 19.455 ( 0.211 1.476 -2.954) 3.309 19.570 ( 5.091 -4.329 -5.253) 8.500 20.059 ( -2.499 0.886 4.293) 5.046 20.204 ( -1.459 1.085 5.765) 6.045 20.346 ( 0.300 -7.468 -2.051) 7.750 21.454 ( -17.231 3.281 3.619) 17.910 21.755 ( -20.252 3.185 -7.553) 21.848 24.339 ( 15.638 1.246 -1.762) 15.787 24.372 ( 15.627 -0.085 0.818) 15.649 26.369 ( -5.765 -0.113 0.583) 5.796 26.494 ( -5.152 1.022 -0.778) 5.309 ======================= Grid point 12 (8/95) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 3.477 1.718 -1.414) 4.128 1.446 ( 5.445 -1.628 -1.292) 5.828 1.537 ( 0.019 -2.541 -2.736) 3.734 1.641 ( 2.594 3.827 7.491) 8.803 1.685 ( 5.732 -8.970 -9.151) 14.038 1.893 ( -0.776 -4.057 1.332) 4.340 2.033 ( 0.482 -1.457 2.273) 2.742 2.101 ( 1.590 1.346 0.641) 2.180 2.300 ( 3.065 -0.828 3.978) 5.090 2.369 ( -2.018 -2.009 -0.878) 2.980 2.383 ( 0.643 6.010 0.841) 6.103 2.452 ( 1.893 -3.025 -3.216) 4.804 2.497 ( -1.324 3.107 1.821) 3.837 2.630 ( -0.089 -1.967 -6.350) 6.649 2.697 ( 3.944 0.490 6.655) 7.752 2.813 ( -3.754 3.592 -1.527) 5.416 2.951 ( 1.956 -0.913 -1.817) 2.822 3.045 ( -0.402 -2.298 0.291) 2.351 3.144 ( 0.474 1.885 2.980) 3.558 3.185 ( 2.729 -7.986 0.103) 8.440 3.323 ( 2.106 7.193 -0.842) 7.542 3.437 ( 5.113 1.449 -0.509) 5.339 3.461 ( -0.088 1.773 -5.981) 6.238 3.649 ( -6.117 5.649 5.924) 10.219 4.103 ( -5.362 -1.522 1.325) 5.729 4.163 ( -1.472 0.123 0.309) 1.509 4.286 ( 0.344 -2.130 5.338) 5.758 4.429 ( 0.784 2.330 -4.181) 4.851 4.531 ( 6.548 -1.826 -4.424) 8.110 4.638 ( 1.671 1.397 -0.121) 2.181 4.723 ( 1.721 -0.837 -0.659) 2.024 4.846 ( -1.401 0.810 1.347) 2.105 5.380 ( -0.811 0.628 2.348) 2.562 5.768 ( -1.101 2.889 -0.438) 3.122 5.891 ( -2.211 -4.013 -1.878) 4.952 5.991 ( -0.836 -3.683 -0.335) 3.792 6.857 ( 8.655 1.900 -2.963) 9.344 7.031 ( 16.053 -0.019 -1.025) 16.085 7.103 ( 3.115 -1.903 2.285) 4.306 7.262 ( 1.293 1.413 5.223) 5.563 7.600 ( -6.614 2.013 -1.481) 7.070 7.627 ( 1.217 -0.158 -7.226) 7.330 7.673 ( 5.554 0.658 4.155) 6.967 7.963 ( 8.454 3.681 2.027) 9.441 8.125 ( -0.963 -0.934 4.562) 4.755 8.203 ( -1.276 -0.579 -1.799) 2.281 8.285 ( -24.855 -2.690 4.419) 25.388 8.743 ( 3.272 -2.259 -6.824) 7.898 9.523 ( -1.857 3.156 -1.900) 4.125 9.795 ( 0.217 3.002 -5.636) 6.389 10.015 ( 2.523 -4.163 0.683) 4.916 10.267 ( -1.964 5.529 3.289) 6.727 10.565 ( -1.131 -1.414 13.382) 13.504 10.712 ( 3.299 -7.906 4.391) 9.627 10.865 ( 10.291 4.481 -15.892) 19.456 11.064 ( -1.474 -1.189 2.115) 2.839 11.830 ( -2.216 1.383 0.968) 2.785 11.890 ( 1.873 1.016 -2.147) 3.025 14.037 ( 0.793 0.706 0.607) 1.223 14.287 ( 0.364 -0.384 -0.253) 0.586 19.392 ( 0.594 0.185 4.434) 4.478 19.437 ( -0.805 0.121 -3.590) 3.681 19.706 ( 6.078 -2.662 -5.975) 8.929 20.026 ( 0.395 3.104 5.228) 6.093 20.188 ( 1.461 0.769 -0.112) 1.655 20.496 ( 6.228 -8.819 2.806) 11.155 21.174 ( -9.479 2.169 2.850) 10.133 21.396 ( -14.622 4.570 -5.651) 16.328 24.529 ( 5.573 0.098 -2.256) 6.013 24.554 ( 4.270 0.422 1.886) 4.687 26.294 ( -2.319 -0.169 -1.087) 2.567 26.405 ( -3.361 0.544 1.320) 3.651 ======================= Grid point 13 (9/95) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 1.343 3.275 0.944) 3.663 1.502 ( -1.994 -3.467 -0.639) 4.050 1.550 ( 1.725 1.748 -2.694) 3.645 1.610 ( 3.821 5.092 1.868) 6.635 1.860 ( -1.291 -6.535 -4.625) 8.109 1.970 ( 6.578 -3.914 0.454) 7.667 2.043 ( -1.234 0.551 -1.059) 1.717 2.148 ( 1.707 2.532 2.244) 3.789 2.311 ( 1.271 1.979 2.656) 3.547 2.338 ( 0.292 2.603 -1.348) 2.946 2.362 ( -2.537 0.072 0.752) 2.647 2.415 ( -1.140 4.125 -0.071) 4.280 2.522 ( 2.117 -0.758 -0.482) 2.300 2.617 ( -2.201 -8.804 -2.909) 9.530 2.750 ( 0.116 -0.531 2.855) 2.906 2.763 ( 2.207 2.463 2.283) 4.019 2.959 ( -1.160 0.383 -3.205) 3.430 3.046 ( -2.038 -1.530 -0.466) 2.591 3.136 ( 0.379 2.516 1.798) 3.115 3.258 ( 0.038 7.547 -2.185) 7.857 3.309 ( 1.729 -2.086 2.420) 3.633 3.462 ( 0.825 2.483 -0.439) 2.653 3.477 ( -0.242 5.925 0.410) 5.944 3.559 ( 3.743 -0.263 -1.560) 4.064 4.051 ( -3.866 -4.446 1.468) 6.072 4.110 ( -2.968 -3.550 3.244) 5.651 4.320 ( -1.110 1.623 -0.084) 1.968 4.408 ( 1.087 0.579 -0.959) 1.560 4.600 ( 1.442 0.617 -2.711) 3.132 4.657 ( -1.227 3.632 1.945) 4.298 4.731 ( 0.617 -0.952 0.988) 1.504 4.803 ( -3.983 -0.966 -1.482) 4.358 5.365 ( 0.490 0.237 0.035) 0.546 5.689 ( -6.916 -1.409 2.383) 7.449 5.866 ( -5.707 -6.634 0.101) 8.751 6.004 ( -0.779 -3.059 -3.250) 4.531 6.838 ( -7.593 1.345 -2.423) 8.083 6.987 ( -18.147 -2.577 0.597) 18.339 7.139 ( 1.574 1.714 -3.819) 4.472 7.293 ( -6.006 1.530 5.906) 8.561 7.555 ( -7.341 -1.726 -1.216) 7.638 7.577 ( 1.489 -0.314 -4.500) 4.751 7.673 ( -1.881 0.497 10.378) 10.559 7.906 ( -6.264 0.247 -2.166) 6.632 8.119 ( -0.202 -1.065 2.020) 2.293 8.215 ( 3.339 0.160 -3.758) 5.030 8.378 ( 27.062 2.111 -4.687) 27.546 8.785 ( 0.284 -1.020 5.963) 6.056 9.462 ( -1.949 1.961 -0.879) 2.901 9.806 ( 4.730 3.296 -5.887) 8.240 10.084 ( -0.234 -6.061 -8.244) 10.235 10.161 ( -4.681 3.828 4.422) 7.492 10.513 ( -7.337 -0.521 14.134) 15.933 10.779 ( -2.875 -4.978 4.774) 7.472 10.904 ( -2.540 2.195 -2.234) 4.032 11.075 ( 2.669 0.922 -7.291) 7.819 11.739 ( -7.496 -2.799 -4.095) 8.988 11.852 ( -5.502 -0.269 2.409) 6.013 14.049 ( 1.441 1.448 2.662) 3.355 14.277 ( -1.900 -0.883 -1.941) 2.856 19.395 ( -0.161 0.358 -3.025) 3.050 19.444 ( 1.922 0.351 3.803) 4.275 19.811 ( 4.672 1.571 -4.531) 6.695 20.018 ( 2.865 4.938 5.146) 7.686 20.247 ( 5.577 1.125 -0.473) 5.709 20.664 ( 4.370 -1.704 -0.845) 4.765 21.138 ( 2.795 -3.682 0.658) 4.670 21.172 ( -2.804 0.038 -0.862) 2.934 24.509 ( -8.563 -0.595 0.015) 8.584 24.530 ( -6.426 -0.910 -0.109) 6.491 26.296 ( 2.452 -0.096 -1.901) 3.104 26.380 ( 0.573 -0.587 2.108) 2.261 ======================= Grid point 14 (10/95) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 2.186 3.237 -0.008) 3.906 1.450 ( -3.947 3.220 1.346) 5.268 1.532 ( -2.876 2.058 -5.712) 6.718 1.714 ( 9.241 3.014 -0.148) 9.721 1.759 ( -4.944 7.461 1.698) 9.110 2.007 ( -4.022 -2.594 -5.883) 7.584 2.084 ( 4.492 -0.626 4.675) 6.513 2.130 ( 0.776 3.233 3.043) 4.507 2.230 ( -3.530 3.195 -2.367) 5.317 2.297 ( -5.627 -0.159 3.279) 6.514 2.374 ( 1.160 0.773 -2.370) 2.750 2.473 ( 7.118 -1.640 -3.555) 8.124 2.543 ( 0.926 0.537 3.793) 3.941 2.700 ( -1.346 6.434 -3.332) 7.369 2.733 ( 1.213 -6.740 -0.824) 6.898 2.761 ( -1.768 4.495 3.052) 5.714 2.893 ( -4.592 -2.619 2.207) 5.729 3.013 ( -1.225 -0.692 -2.069) 2.502 3.116 ( 1.311 3.047 2.254) 4.010 3.194 ( -0.790 3.371 1.321) 3.706 3.291 ( -3.833 -0.981 1.414) 4.202 3.417 ( 2.927 7.322 -2.113) 8.163 3.481 ( 0.672 2.036 -0.878) 2.317 3.639 ( 3.873 -2.575 -3.970) 6.115 4.004 ( -6.820 -3.817 5.103) 9.334 4.159 ( 1.595 -4.348 -0.725) 4.688 4.262 ( -2.495 -3.772 -0.695) 4.575 4.420 ( -2.174 0.604 4.868) 5.366 4.530 ( -6.839 4.027 -0.854) 7.983 4.595 ( 1.184 2.074 -4.335) 4.949 4.696 ( -5.048 -0.449 -0.145) 5.070 4.797 ( 2.046 -2.222 2.707) 4.056 5.394 ( 1.703 -0.296 -2.850) 3.333 5.567 ( -8.846 -4.254 4.503) 10.799 5.843 ( -3.533 -6.948 1.340) 7.909 5.987 ( -4.994 -2.056 -4.928) 7.311 6.567 ( -22.459 1.623 0.686) 22.528 6.640 ( -18.857 -1.828 1.568) 19.010 7.001 ( -19.081 -3.042 -0.279) 19.324 7.075 ( -7.299 1.243 -5.995) 9.527 7.473 ( 0.708 -3.304 -5.044) 6.071 7.629 ( -1.512 -1.478 1.689) 2.706 7.685 ( 1.645 1.023 9.126) 9.329 7.841 ( -3.169 -0.185 0.785) 3.270 8.098 ( -3.284 -2.476 1.502) 4.378 8.275 ( -0.788 0.047 -9.727) 9.759 8.802 ( 18.746 4.306 4.671) 19.793 8.919 ( 20.293 2.851 3.480) 20.786 9.436 ( 0.957 0.454 -0.758) 1.302 9.863 ( 2.516 0.914 -3.375) 4.308 10.033 ( -6.678 3.452 1.422) 7.650 10.114 ( -1.605 -5.186 -12.604) 13.723 10.338 ( -12.259 -3.065 14.226) 19.028 10.720 ( -6.843 -1.512 3.467) 7.819 10.788 ( -7.330 0.936 2.565) 7.822 11.072 ( -1.554 2.265 -7.159) 7.668 11.639 ( -7.765 -6.193 -7.674) 12.552 11.710 ( -11.646 -2.744 6.300) 13.522 14.060 ( 1.305 2.032 3.462) 4.221 14.241 ( -2.829 -1.407 -2.536) 4.052 19.394 ( 0.617 -0.045 -4.239) 4.284 19.480 ( 2.849 2.528 5.569) 6.747 19.821 ( 1.142 7.188 -2.032) 7.556 20.056 ( 5.417 3.431 2.946) 7.056 20.341 ( 7.542 4.609 1.541) 8.973 20.670 ( 0.870 6.720 -7.705) 10.260 21.202 ( 7.725 -7.019 0.425) 10.446 21.453 ( 16.407 -11.097 3.159) 20.058 24.262 ( -19.337 -1.825 0.120) 19.424 24.342 ( -15.317 -1.891 0.052) 15.434 26.372 ( 5.519 -0.092 -2.265) 5.966 26.429 ( 3.004 -1.632 2.580) 4.283 ======================= Grid point 15 (11/95) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -12.923 9.655 -9.791) 18.870 1.218 ( -12.466 10.816 2.288) 16.661 1.495 ( 5.883 6.150 5.139) 9.943 1.693 ( 1.846 5.466 -2.924) 6.468 1.821 ( 4.491 8.561 -0.805) 9.701 1.955 ( -1.112 -1.218 0.071) 1.651 2.062 ( -6.027 1.743 9.530) 11.410 2.125 ( -3.959 5.022 -7.088) 9.546 2.168 ( -1.649 3.311 1.789) 4.108 2.235 ( 1.335 -0.223 1.850) 2.293 2.282 ( -7.867 9.959 -2.285) 12.896 2.454 ( -5.460 0.852 0.685) 5.569 2.517 ( 0.378 0.861 1.051) 1.410 2.569 ( -4.911 5.094 -0.357) 7.085 2.735 ( 5.648 -2.130 -0.261) 6.042 2.856 ( 4.380 -1.244 2.022) 4.982 2.906 ( 0.643 -5.270 0.422) 5.326 3.034 ( 2.949 -1.200 -4.619) 5.610 3.118 ( -0.427 0.081 -0.084) 0.442 3.199 ( 0.442 -5.081 3.231) 6.038 3.246 ( -1.722 -1.570 1.111) 2.582 3.404 ( 3.418 6.803 -2.280) 7.948 3.488 ( 2.400 -0.123 -1.663) 2.922 3.742 ( 2.274 -4.290 -4.161) 6.395 3.888 ( -7.513 -1.502 4.197) 8.735 4.136 ( -7.494 -3.196 1.919) 8.370 4.336 ( -6.371 -1.023 0.857) 6.510 4.339 ( 2.480 -2.798 2.811) 4.678 4.416 ( 3.340 0.822 -1.283) 3.671 4.614 ( -3.816 -0.238 0.561) 3.864 4.663 ( 5.887 -0.660 -6.111) 8.511 4.851 ( -0.989 -4.506 5.328) 7.048 5.357 ( -3.922 2.855 -6.489) 8.101 5.509 ( -4.184 -5.901 6.307) 9.598 5.786 ( -12.736 -1.856 -1.242) 12.930 5.871 ( -4.627 0.142 4.162) 6.226 6.080 ( -24.810 -0.454 -2.126) 24.905 6.445 ( -10.034 -5.844 1.055) 11.660 6.632 ( -21.731 -4.716 -5.021) 22.796 6.994 ( -0.773 3.029 -9.879) 10.362 7.485 ( -5.443 -3.924 8.998) 11.225 7.638 ( -2.088 -4.060 3.005) 5.466 7.685 ( 0.281 -0.191 -2.100) 2.128 7.789 ( -1.876 0.063 -0.354) 1.910 8.055 ( -3.673 0.121 -7.117) 8.010 8.197 ( -3.186 -2.121 7.811) 8.698 9.110 ( 20.537 7.437 1.202) 21.875 9.250 ( 17.187 5.139 0.993) 17.967 9.480 ( 2.589 -0.911 -1.485) 3.121 9.762 ( -16.666 -2.079 -0.242) 16.797 9.894 ( -2.804 0.868 4.360) 5.256 10.076 ( -5.737 -1.352 -10.853) 12.350 10.283 ( -0.545 -8.127 4.993) 9.554 10.580 ( -6.794 4.346 1.553) 8.214 10.666 ( -5.316 -1.009 1.102) 5.522 10.999 ( -2.994 0.663 -3.063) 4.335 11.497 ( -14.788 -4.730 8.684) 17.789 11.566 ( -7.595 -6.132 -8.865) 13.186 14.058 ( 0.216 1.476 2.346) 2.781 14.213 ( -0.953 -0.716 -1.246) 1.724 19.413 ( 1.410 -0.243 -3.260) 3.560 19.500 ( 2.724 4.361 5.483) 7.517 19.732 ( -1.313 10.098 -1.954) 10.369 20.127 ( 4.737 2.499 1.026) 5.454 20.444 ( 9.541 5.756 1.869) 11.298 20.627 ( 4.081 8.906 -6.406) 11.705 21.505 ( 13.683 -12.292 -2.471) 18.559 21.894 ( 18.872 -12.538 4.758) 23.151 23.874 ( -25.146 -2.804 -0.222) 25.302 24.036 ( -19.709 -1.226 0.920) 19.769 26.475 ( 4.245 -1.346 -0.664) 4.503 26.505 ( 3.824 -1.233 1.743) 4.380 ======================= Grid point 16 (12/95) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -16.237 14.455 -8.613) 23.384 0.815 ( -18.369 14.863 0.137) 23.629 1.374 ( -9.328 31.056 3.705) 32.637 1.584 ( -9.695 3.381 2.555) 10.581 1.734 ( 3.936 9.555 -0.611) 10.352 1.855 ( -2.715 12.425 1.682) 12.829 1.993 ( -2.647 6.351 0.773) 6.924 2.020 ( 0.387 -2.933 -5.536) 6.277 2.062 ( -1.804 8.355 2.390) 8.875 2.092 ( -0.065 -1.476 0.233) 1.496 2.327 ( -3.853 4.553 2.402) 6.430 2.380 ( 1.074 -6.252 -0.938) 6.413 2.474 ( -2.053 3.052 0.391) 3.699 2.610 ( 6.383 -5.642 1.592) 8.666 2.828 ( 4.005 -1.457 1.837) 4.641 2.953 ( 1.663 -1.598 -2.869) 3.681 2.988 ( 4.657 -3.185 -1.172) 5.762 3.077 ( -1.415 -2.445 0.267) 2.838 3.129 ( 1.191 -2.083 -2.468) 3.442 3.260 ( -1.666 -9.918 1.669) 10.195 3.273 ( 3.369 0.718 1.443) 3.735 3.430 ( 3.523 1.348 -1.096) 3.928 3.556 ( 3.296 -2.164 -3.635) 5.362 3.744 ( -3.516 -0.734 3.074) 4.728 3.803 ( -4.307 -1.754 1.349) 4.842 3.998 ( -8.415 -0.563 -0.542) 8.452 4.258 ( -4.860 -2.210 1.501) 5.546 4.447 ( 9.711 -1.030 0.112) 9.766 4.528 ( 0.125 -0.138 -7.461) 7.463 4.590 ( 6.491 -0.824 7.327) 9.824 4.760 ( -1.828 -6.730 -10.054) 12.236 4.875 ( 2.405 -4.014 12.753) 13.584 5.272 ( 0.351 7.455 -4.158) 8.544 5.407 ( -13.783 -5.275 -1.507) 14.835 5.544 ( -10.730 0.816 -1.139) 10.821 5.744 ( -8.224 2.738 10.761) 13.818 5.813 ( -6.103 -4.154 -0.144) 7.384 6.152 ( -23.353 -4.174 -13.936) 27.513 6.554 ( 3.448 -6.403 2.791) 7.789 6.955 ( 0.845 4.499 -7.372) 8.678 7.384 ( -11.722 -5.368 10.799) 16.818 7.600 ( -4.767 -3.175 -0.103) 5.729 7.607 ( -2.265 0.581 1.375) 2.712 7.891 ( 5.753 -3.022 -2.017) 6.804 8.022 ( 1.738 -3.734 -12.665) 13.318 8.241 ( 6.845 5.171 13.479) 15.978 9.238 ( -8.828 2.023 -12.209) 15.202 9.427 ( -1.910 -0.228 2.872) 3.456 9.485 ( 7.616 1.674 11.102) 13.567 9.592 ( 1.234 0.468 -3.289) 3.544 9.808 ( -8.073 -2.829 -0.392) 8.563 9.999 ( -1.827 0.057 3.661) 4.092 10.341 ( -0.914 -3.710 -0.418) 3.844 10.406 ( -5.775 8.235 -2.736) 10.423 10.640 ( 0.010 -3.088 -4.642) 5.575 11.007 ( 4.591 -0.042 1.156) 4.735 11.305 ( -11.137 -6.656 8.989) 15.784 11.472 ( -7.972 -5.087 -8.205) 12.520 14.047 ( -0.327 0.398 1.018) 1.141 14.229 ( 2.928 0.642 0.098) 3.000 19.437 ( 0.963 0.036 -2.236) 2.435 19.504 ( 2.236 4.824 5.572) 7.702 19.600 ( -2.155 9.753 -3.288) 10.515 20.164 ( 1.666 2.252 -0.728) 2.895 20.581 ( 9.891 4.033 1.391) 10.772 20.663 ( 9.774 8.484 -5.664) 14.128 21.863 ( 11.789 -12.661 -4.536) 17.884 22.333 ( 13.183 -15.037 7.192) 21.252 23.439 ( -24.574 -2.291 0.529) 24.686 23.686 ( -17.186 2.129 1.123) 17.354 26.516 ( -1.906 -2.871 4.581) 5.733 26.594 ( 4.354 -0.120 -1.504) 4.608 ======================= Grid point 17 (13/95) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( -0.000 17.981 -0.000) 17.981 0.409 ( -0.000 21.470 -0.000) 21.470 0.872 ( -0.000 44.624 -0.000) 44.624 1.389 ( -0.000 5.228 -0.000) 5.228 1.719 ( -0.000 10.521 -0.000) 10.521 1.756 ( -0.000 5.493 -0.000) 5.493 1.880 ( -0.000 8.296 -0.000) 8.296 1.992 ( -0.000 5.477 -0.000) 5.477 2.059 ( 0.000 -7.369 0.000) 7.369 2.143 ( 0.000 -1.734 0.000) 1.734 2.277 ( -0.000 2.411 -0.000) 2.411 2.373 ( 0.000 -0.279 0.000) 0.279 2.452 ( -0.000 2.009 -0.000) 2.009 2.731 ( 0.000 -3.931 0.000) 3.931 2.891 ( 0.000 -2.590 0.000) 2.590 3.000 ( 0.000 -3.582 0.000) 3.582 3.057 ( 0.000 -1.711 0.000) 1.711 3.074 ( 0.000 -2.748 0.000) 2.748 3.164 ( 0.000 -1.829 0.000) 1.829 3.306 ( -0.000 0.906 -0.000) 0.906 3.333 ( 0.000 -8.083 0.000) 8.083 3.468 ( 0.000 -1.022 0.000) 1.022 3.607 ( 0.000 -1.573 0.000) 1.573 3.696 ( 0.000 -0.183 0.000) 0.183 3.736 ( -0.000 2.533 -0.000) 2.533 3.911 ( -0.000 0.448 -0.000) 0.448 4.206 ( 0.000 -1.043 0.000) 1.043 4.505 ( 0.000 -0.002 0.000) 0.002 4.642 ( 0.000 -2.529 0.000) 2.529 4.644 ( 0.000 -3.946 0.000) 3.946 4.855 ( 0.000 -4.873 0.000) 4.873 4.981 ( 0.000 -4.403 0.000) 4.403 5.125 ( -0.000 8.989 -0.000) 8.989 5.267 ( 0.000 -1.743 0.000) 1.743 5.430 ( -0.000 2.367 -0.000) 2.367 5.747 ( 0.000 -1.940 0.000) 1.940 5.811 ( -0.000 0.010 -0.000) 0.010 5.822 ( 0.000 -1.939 0.000) 1.939 6.718 ( 0.000 -9.417 0.000) 9.417 6.940 ( -0.000 3.535 -0.000) 3.535 7.272 ( 0.000 -3.640 0.000) 3.640 7.544 ( -0.000 0.174 -0.000) 0.174 7.648 ( 0.000 -4.431 0.000) 4.431 7.995 ( 0.000 -5.883 0.000) 5.883 8.094 ( 0.000 -4.802 0.000) 4.802 8.330 ( -0.000 9.765 -0.000) 9.765 8.905 ( -0.000 1.517 -0.000) 1.517 9.376 ( -0.000 4.218 -0.000) 4.218 9.582 ( 0.000 -0.626 0.000) 0.626 9.612 ( -0.000 3.441 -0.000) 3.441 9.733 ( 0.000 -0.892 0.000) 0.892 9.997 ( -0.000 0.622 -0.000) 0.622 10.240 ( -0.000 8.737 -0.000) 8.737 10.362 ( 0.000 -3.029 0.000) 3.029 10.671 ( 0.000 -2.357 0.000) 2.357 11.083 ( -0.000 0.456 -0.000) 0.456 11.274 ( 0.000 -6.472 0.000) 6.472 11.421 ( 0.000 -4.601 0.000) 4.601 14.042 ( -0.000 0.333 -0.000) 0.333 14.290 ( 0.000 -1.612 0.000) 1.612 19.441 ( -0.000 0.688 -0.000) 0.688 19.482 ( -0.000 7.629 -0.000) 7.629 19.500 ( -0.000 2.926 -0.000) 2.926 20.154 ( -0.000 1.873 -0.000) 1.873 20.651 ( -0.000 1.759 -0.000) 1.759 20.806 ( -0.000 0.244 -0.000) 0.244 22.104 ( 0.000 -9.587 0.000) 9.587 22.554 ( 0.000 -12.186 0.000) 12.186 23.154 ( -0.000 1.825 -0.000) 1.825 23.470 ( -0.000 5.037 -0.000) 5.037 26.483 ( -0.000 0.002 -0.000) 0.002 26.637 ( 0.000 -0.113 0.000) 0.113 ======================= Grid point 20 (14/95) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 8.322 0.000 -4.645) 9.530 1.445 ( 3.137 0.000 -2.394) 3.946 1.486 ( 5.668 0.000 2.119) 6.052 1.592 ( 1.439 0.000 -9.910) 10.014 1.703 ( 4.564 0.000 8.238) 9.418 1.845 ( -2.695 -0.000 -1.035) 2.887 2.021 ( 1.106 0.000 3.866) 4.021 2.124 ( 3.442 0.000 -0.876) 3.552 2.286 ( 8.837 0.000 4.155) 9.765 2.306 ( -6.536 -0.000 -1.279) 6.660 2.426 ( -0.513 -0.000 0.087) 0.520 2.484 ( -1.519 -0.000 0.611) 1.637 2.535 ( 1.094 0.000 -4.454) 4.586 2.590 ( 3.086 0.000 1.282) 3.342 2.707 ( 0.431 0.000 1.002) 1.091 2.886 ( -6.006 -0.000 2.705) 6.587 2.920 ( 5.348 0.000 -7.257) 9.014 3.040 ( 6.334 0.000 3.025) 7.019 3.070 ( -3.640 -0.000 -0.051) 3.640 3.164 ( -0.456 -0.000 4.802) 4.824 3.381 ( 3.976 0.000 -0.214) 3.982 3.449 ( 4.498 0.000 -0.382) 4.514 3.498 ( -0.489 -0.000 -8.776) 8.789 3.720 ( -5.153 -0.000 6.039) 7.939 4.094 ( -5.527 -0.000 2.718) 6.160 4.141 ( -7.800 -0.000 3.217) 8.437 4.268 ( 4.725 0.000 1.978) 5.122 4.459 ( 0.286 0.000 -2.819) 2.834 4.511 ( 9.070 0.000 -5.881) 10.810 4.655 ( -0.732 -0.000 -0.930) 1.184 4.712 ( 4.129 0.000 -0.223) 4.135 4.853 ( -2.494 -0.000 1.309) 2.817 5.388 ( -0.251 -0.000 3.145) 3.155 5.815 ( -4.323 -0.000 -2.785) 5.142 5.836 ( -4.371 -0.000 3.642) 5.689 5.940 ( 0.848 0.000 -4.345) 4.427 6.880 ( 8.937 0.000 -3.348) 9.544 7.026 ( 13.885 0.000 -2.005) 14.029 7.081 ( 4.097 0.000 2.418) 4.757 7.283 ( 2.421 0.000 7.820) 8.186 7.620 ( -1.225 -0.000 -7.738) 7.835 7.629 ( -7.330 -0.000 -0.792) 7.372 7.678 ( 6.916 0.000 2.246) 7.271 8.015 ( 10.081 0.000 2.777) 10.457 8.105 ( -0.169 -0.000 7.406) 7.408 8.197 ( -0.055 -0.000 -1.887) 1.888 8.252 ( -27.502 -0.000 2.257) 27.594 8.718 ( 4.256 0.000 -7.775) 8.864 9.557 ( -2.916 -0.000 -2.176) 3.638 9.840 ( 2.737 0.000 -14.512) 14.768 9.961 ( -0.321 -0.000 11.230) 11.234 10.348 ( -2.410 -0.000 -0.522) 2.466 10.566 ( 0.210 0.000 17.040) 17.041 10.585 ( 3.247 0.000 3.248) 4.593 10.918 ( 10.332 0.000 -15.708) 18.801 11.049 ( -2.137 -0.000 2.327) 3.159 11.843 ( -4.056 -0.000 0.266) 4.065 11.900 ( 1.505 0.000 -1.983) 2.490 14.046 ( 1.142 0.000 1.214) 1.667 14.281 ( 0.183 0.000 -0.608) 0.635 19.395 ( 1.200 0.000 5.403) 5.534 19.438 ( -1.973 -0.000 -4.022) 4.480 19.681 ( 8.921 0.000 -7.694) 11.781 20.046 ( 0.367 0.000 4.773) 4.788 20.250 ( 2.483 0.000 9.991) 10.295 20.363 ( 7.946 0.000 -6.148) 10.047 21.198 ( -11.835 -0.000 4.424) 12.635 21.441 ( -15.457 -0.000 -6.756) 16.868 24.529 ( 4.968 0.000 -3.233) 5.928 24.559 ( 3.909 0.000 2.760) 4.785 26.292 ( -2.289 -0.000 -1.675) 2.837 26.411 ( -3.992 -0.000 1.985) 4.458 ======================= Grid point 21 (15/95) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.810 2.247 0.778) 2.512 1.440 ( -2.620 -2.085 0.813) 3.446 1.587 ( 5.062 2.400 -1.370) 5.767 1.670 ( 5.943 -4.975 -4.212) 8.821 1.756 ( 1.774 3.904 -4.264) 6.047 1.878 ( 5.351 -5.273 0.495) 7.529 2.097 ( 3.551 3.790 2.496) 5.762 2.179 ( 5.005 0.420 2.712) 5.708 2.280 ( 0.632 -4.172 -0.574) 4.258 2.345 ( -2.078 0.983 2.404) 3.326 2.438 ( -1.513 3.555 -1.514) 4.150 2.461 ( -1.067 -2.468 -1.111) 2.909 2.528 ( 3.004 1.563 -0.101) 3.388 2.535 ( -10.044 2.419 -1.431) 10.429 2.674 ( 1.277 -4.352 2.973) 5.424 2.830 ( 0.051 1.834 2.484) 3.088 2.990 ( 2.124 0.701 -6.583) 6.952 3.018 ( -0.773 0.819 -2.579) 2.814 3.157 ( 0.207 0.321 3.444) 3.465 3.201 ( 4.281 -4.512 2.082) 6.559 3.458 ( 5.124 6.714 -0.961) 8.500 3.497 ( 2.835 1.833 -3.423) 4.808 3.536 ( 5.206 -1.197 -0.487) 5.364 3.615 ( -3.870 5.249 3.347) 7.330 3.975 ( -7.656 -2.400 4.169) 9.042 4.027 ( -5.638 -4.241 2.794) 7.588 4.364 ( 2.887 2.209 -0.454) 3.663 4.410 ( -3.449 -0.415 -1.307) 3.712 4.633 ( 3.822 2.719 -1.529) 4.933 4.689 ( 3.981 -1.999 0.901) 4.545 4.718 ( -2.845 1.121 -0.246) 3.067 4.786 ( -5.470 -0.688 -1.177) 5.637 5.376 ( 0.009 0.610 0.865) 1.058 5.677 ( -9.260 0.649 2.585) 9.636 5.735 ( -8.964 -5.737 1.070) 10.696 5.947 ( -0.887 -2.090 -6.127) 6.534 6.869 ( -6.885 1.667 -3.497) 7.900 6.936 ( -16.601 -2.302 0.381) 16.764 7.175 ( 3.280 1.434 -3.419) 4.950 7.315 ( -10.656 0.704 9.181) 14.083 7.517 ( -14.307 -1.288 -3.810) 14.862 7.591 ( 7.080 0.771 -3.627) 7.992 7.679 ( -2.902 0.089 12.554) 12.885 7.908 ( -6.777 -0.119 -2.253) 7.143 8.103 ( -1.197 -0.438 0.377) 1.330 8.217 ( 3.535 0.046 -4.978) 6.106 8.411 ( 29.973 1.055 -3.689) 30.218 8.759 ( 0.518 -1.106 7.234) 7.336 9.512 ( -0.474 2.256 -6.851) 7.229 9.874 ( 2.817 3.675 -5.565) 7.240 9.961 ( -2.006 -5.890 -0.671) 6.258 10.252 ( -5.095 4.773 -1.363) 7.113 10.545 ( -2.891 2.750 14.469) 15.009 10.634 ( -2.978 -7.914 8.307) 11.854 10.903 ( -8.690 -1.214 3.246) 9.356 11.118 ( 7.083 2.131 -13.216) 15.145 11.698 ( -11.114 -1.265 -5.520) 12.474 11.852 ( -6.531 0.116 2.643) 7.047 14.075 ( 2.342 1.011 3.927) 4.682 14.261 ( -2.624 -0.664 -2.871) 3.946 19.402 ( -1.104 0.211 -4.539) 4.676 19.447 ( 3.822 0.028 6.011) 7.123 19.844 ( 9.230 1.477 -8.007) 12.308 20.080 ( 3.423 0.871 5.180) 6.270 20.297 ( 5.972 3.994 4.497) 8.475 20.586 ( 11.185 -4.861 -2.034) 12.364 21.076 ( -1.135 -1.524 3.293) 3.802 21.204 ( -9.306 1.287 -4.555) 10.440 24.504 ( -8.595 0.097 -0.728) 8.626 24.513 ( -8.092 -0.792 0.454) 8.143 26.294 ( 2.584 -0.066 -2.664) 3.712 26.372 ( -0.329 -0.237 3.031) 3.058 ======================= Grid point 22 (16/95) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 2.178 2.075 2.324) 3.801 1.435 ( 1.014 -1.921 -2.051) 2.988 1.622 ( 1.261 4.901 0.402) 5.076 1.784 ( 3.263 2.725 -3.375) 5.428 1.814 ( 6.983 -0.811 0.255) 7.035 2.025 ( -6.053 6.738 -3.851) 9.843 2.037 ( 5.321 -4.686 0.210) 7.094 2.165 ( -0.367 1.711 -0.962) 1.997 2.272 ( -5.322 1.056 3.472) 6.441 2.337 ( -2.784 3.799 2.058) 5.140 2.419 ( 1.732 -1.489 -0.079) 2.285 2.423 ( 2.930 0.613 -2.128) 3.673 2.479 ( 0.454 -11.305 0.639) 11.332 2.590 ( 2.651 1.451 0.767) 3.118 2.747 ( 1.352 -4.473 2.845) 5.471 2.808 ( -0.449 4.149 1.513) 4.439 2.969 ( -1.013 5.276 -7.051) 8.864 3.002 ( -0.531 0.017 0.730) 0.903 3.173 ( 1.610 1.164 -0.988) 2.219 3.248 ( -0.357 -0.515 -0.213) 0.662 3.401 ( -2.756 13.356 3.767) 14.149 3.521 ( 1.048 3.529 -2.316) 4.349 3.537 ( 3.863 3.530 -0.350) 5.245 3.623 ( 2.557 0.793 0.628) 2.750 3.913 ( -5.578 -5.507 4.799) 9.191 4.021 ( -0.538 -8.596 0.048) 8.613 4.232 ( -9.609 -0.144 -0.851) 9.647 4.432 ( -0.341 0.682 1.912) 2.059 4.582 ( -7.687 1.892 0.009) 7.916 4.656 ( 0.514 3.249 -3.516) 4.815 4.682 ( -4.896 -0.836 -0.794) 5.030 4.764 ( 1.436 -1.483 3.211) 3.817 5.389 ( 1.609 0.223 -1.272) 2.063 5.507 ( -9.653 -2.143 4.262) 10.767 5.679 ( -3.997 -8.999 -0.293) 9.851 5.928 ( -4.313 -3.314 -6.990) 8.856 6.594 ( -18.765 0.515 -0.399) 18.777 6.620 ( -23.814 -0.049 2.471) 23.942 6.963 ( -23.363 -0.869 6.102) 24.162 7.086 ( -6.420 0.055 -10.419) 12.238 7.421 ( 2.177 -2.079 -7.326) 7.920 7.610 ( -5.381 -0.608 4.491) 7.035 7.712 ( 4.205 1.536 13.273) 14.007 7.839 ( -3.057 -0.091 0.664) 3.130 8.042 ( -6.638 -2.901 0.708) 7.279 8.268 ( -2.169 -0.549 -13.487) 13.672 8.867 ( 17.767 2.110 12.269) 21.694 8.962 ( 27.162 2.034 -2.764) 27.378 9.490 ( 2.376 4.228 -6.938) 8.465 9.843 ( -6.609 -3.533 5.195) 9.118 10.022 ( 4.557 -2.611 -11.670) 12.797 10.100 ( -6.397 4.137 -2.005) 7.878 10.386 ( -11.521 5.380 11.033) 16.835 10.627 ( -6.048 -6.835 8.636) 12.565 10.744 ( -10.926 -4.560 5.583) 13.090 11.126 ( -3.636 2.417 -12.027) 12.795 11.539 ( -6.960 -3.732 -9.425) 12.296 11.678 ( -12.999 -0.780 6.899) 14.736 14.105 ( 1.898 2.520 4.174) 5.233 14.210 ( -3.330 -1.851 -3.077) 4.897 19.392 ( 0.282 -0.201 -4.287) 4.301 19.527 ( 5.244 2.095 6.875) 8.897 19.946 ( 5.746 5.766 -6.488) 10.409 20.140 ( 5.456 4.274 4.695) 8.372 20.411 ( 9.049 2.777 1.740) 9.624 20.752 ( 5.017 1.799 -4.418) 6.923 21.106 ( -0.271 -2.795 -0.003) 2.808 21.252 ( 13.644 -9.191 1.590) 16.528 24.241 ( -19.309 -0.220 0.943) 19.333 24.301 ( -16.523 -2.309 -1.063) 16.717 26.371 ( 5.380 0.052 -2.475) 5.922 26.403 ( 2.655 -1.100 2.898) 4.081 ======================= Grid point 23 (17/95) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -4.048 7.045 -4.970) 9.525 1.445 ( -10.153 12.325 2.197) 16.119 1.550 ( 9.899 0.332 0.969) 9.951 1.792 ( 2.107 2.777 1.976) 4.007 1.909 ( -1.119 -2.030 -7.731) 8.071 1.962 ( 8.479 5.133 -0.686) 9.935 2.093 ( -8.789 1.776 1.914) 9.169 2.148 ( 3.153 0.291 7.638) 8.268 2.201 ( -0.388 0.793 -5.126) 5.201 2.239 ( -1.989 2.398 3.984) 5.057 2.396 ( 0.631 1.513 -4.540) 4.827 2.525 ( -1.630 -1.042 -1.093) 2.222 2.545 ( -0.766 0.670 5.987) 6.073 2.676 ( 0.874 -10.426 1.827) 10.621 2.748 ( 1.688 3.019 1.750) 3.876 2.765 ( -3.019 8.397 -1.551) 9.057 2.836 ( -1.860 3.015 -2.657) 4.428 3.036 ( 3.503 -0.633 -1.042) 3.709 3.157 ( -1.097 3.702 -0.055) 3.862 3.211 ( -3.890 6.737 1.547) 7.931 3.253 ( 1.354 1.658 0.375) 2.173 3.513 ( 1.344 2.687 -2.719) 4.052 3.567 ( 3.235 9.771 -1.251) 10.368 3.657 ( 2.350 -4.410 -1.807) 5.313 3.842 ( -6.775 -3.401 4.701) 8.920 4.055 ( -5.758 -5.248 0.972) 7.851 4.202 ( 3.053 -9.487 0.127) 9.967 4.320 ( -9.671 -0.536 0.557) 9.702 4.469 ( -0.195 3.197 0.463) 3.237 4.615 ( -3.648 0.008 2.713) 4.546 4.642 ( -1.661 -2.228 -7.502) 8.000 4.798 ( 1.409 -0.592 5.420) 5.632 5.391 ( -1.659 0.812 -8.017) 8.227 5.423 ( -2.434 -2.867 7.522) 8.409 5.692 ( -7.446 -7.423 -0.460) 10.524 5.850 ( -4.978 -2.224 -2.657) 6.065 6.087 ( -27.168 0.836 2.141) 27.266 6.348 ( -13.816 -4.051 -2.875) 14.682 6.539 ( -23.508 -4.259 2.798) 24.054 7.040 ( 0.700 1.733 -13.123) 13.256 7.428 ( -8.078 -2.032 10.120) 13.107 7.546 ( -0.553 -5.177 -2.194) 5.650 7.702 ( -3.042 1.788 1.257) 3.746 7.794 ( -4.149 0.345 0.859) 4.251 8.032 ( 3.154 -3.129 7.263) 8.514 8.143 ( -7.470 -2.186 -7.090) 10.528 9.226 ( 21.275 3.457 10.141) 23.820 9.351 ( 18.376 6.269 -4.889) 20.022 9.523 ( 4.727 4.548 -4.538) 7.976 9.685 ( -15.478 -4.714 2.667) 16.398 9.956 ( -5.303 3.927 2.847) 7.187 10.088 ( -9.568 2.822 -7.651) 12.571 10.161 ( 2.933 -4.385 -2.515) 5.844 10.559 ( -7.711 -6.163 2.958) 10.305 10.631 ( -5.731 -2.617 7.467) 9.770 11.001 ( -6.072 -1.140 -5.950) 8.577 11.422 ( -17.084 -2.687 9.879) 19.916 11.479 ( -4.224 -2.514 -10.532) 11.623 14.080 ( -2.440 0.599 -1.159) 2.767 14.204 ( 1.524 0.057 2.139) 2.627 19.408 ( 1.246 -0.365 -2.916) 3.192 19.591 ( 4.844 4.693 6.478) 9.352 19.930 ( 1.478 10.236 -4.986) 11.481 20.203 ( 5.911 5.305 2.219) 8.247 20.536 ( 8.204 4.044 3.235) 9.702 20.771 ( 3.164 6.041 -6.037) 9.108 21.270 ( 9.265 -12.009 -0.572) 15.178 21.651 ( 17.107 -12.440 1.961) 21.243 23.846 ( -23.632 -0.092 0.035) 23.632 23.994 ( -19.249 -3.025 0.186) 19.486 26.449 ( 2.491 -1.053 1.555) 3.120 26.492 ( 5.666 -0.519 -0.946) 5.768 ======================= Grid point 24 (18/95) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -12.136 14.911 -7.615) 20.678 1.113 ( -11.732 16.260 2.759) 20.239 1.671 ( -0.821 6.024 3.383) 6.957 1.791 ( 3.130 7.280 2.651) 8.356 1.862 ( -1.838 5.836 -5.245) 8.059 1.967 ( 2.286 -2.135 3.167) 4.451 2.053 ( 2.978 6.513 -0.205) 7.164 2.100 ( -3.982 5.536 -4.979) 8.443 2.192 ( -0.754 8.284 -0.669) 8.345 2.234 ( 1.363 -4.685 4.738) 6.801 2.358 ( -2.236 19.907 3.094) 20.270 2.403 ( -1.445 2.066 -0.459) 2.563 2.488 ( -1.024 -2.911 -0.121) 3.088 2.565 ( -1.714 6.164 -0.285) 6.404 2.766 ( 1.370 -7.144 2.376) 7.653 2.859 ( 1.703 -7.423 -0.815) 7.659 2.905 ( 3.616 -5.626 -0.540) 6.709 3.085 ( -2.764 -1.188 0.716) 3.093 3.108 ( 2.700 3.062 -3.005) 5.069 3.134 ( -2.135 -0.054 0.782) 2.274 3.278 ( 2.478 0.342 0.944) 2.674 3.501 ( 1.048 4.908 1.230) 5.167 3.551 ( 2.683 1.888 -6.861) 7.605 3.711 ( -1.174 -2.129 3.181) 4.004 3.779 ( -2.347 -1.437 2.588) 3.777 3.988 ( -5.102 -0.879 -0.874) 5.250 4.199 ( -5.857 -3.674 1.398) 7.054 4.387 ( 7.991 -7.511 0.045) 10.967 4.522 ( 6.089 -0.141 -2.280) 6.503 4.558 ( -2.346 -1.370 8.500) 8.923 4.608 ( -5.541 -7.324 -10.161) 13.696 4.858 ( 5.267 1.194 5.276) 7.550 5.293 ( -12.803 -3.314 -8.821) 15.897 5.409 ( 2.902 3.701 3.648) 5.952 5.546 ( -10.621 -0.964 0.511) 10.677 5.732 ( -7.781 -3.879 2.629) 9.083 5.787 ( -7.856 1.375 7.581) 11.004 6.063 ( -19.871 -4.842 -14.530) 25.088 6.388 ( -1.899 -9.769 3.381) 10.510 7.027 ( 0.870 3.204 -8.658) 9.273 7.262 ( -13.368 -6.155 12.215) 19.125 7.553 ( -2.029 -1.668 -0.522) 2.678 7.634 ( -3.872 1.417 1.149) 4.281 7.804 ( 4.281 -6.215 -0.753) 7.585 7.961 ( -5.640 -2.147 -12.741) 14.098 8.296 ( 14.646 0.757 13.859) 20.179 9.255 ( -23.641 0.055 -0.325) 23.643 9.504 ( 9.123 1.515 4.241) 10.174 9.531 ( 9.022 7.183 0.532) 11.545 9.643 ( 5.653 4.422 -6.934) 9.979 9.788 ( -8.654 1.526 0.164) 8.789 9.989 ( -0.374 -1.041 3.287) 3.468 10.256 ( 0.257 -4.287 -6.609) 7.882 10.532 ( 0.055 -3.406 -5.770) 6.700 10.570 ( -1.960 1.959 3.966) 4.838 10.986 ( 1.626 -2.683 4.004) 5.087 11.168 ( -13.036 -6.442 8.325) 16.755 11.391 ( -7.886 -2.787 -8.984) 12.275 14.039 ( -1.985 -1.345 -1.274) 2.716 14.243 ( 2.922 1.284 2.096) 3.819 19.433 ( 1.055 -0.383 -1.476) 1.855 19.615 ( 3.219 6.359 4.970) 8.689 19.820 ( -0.743 12.817 -3.894) 13.416 20.235 ( 2.904 5.418 0.532) 6.170 20.641 ( 6.514 2.738 2.771) 7.590 20.784 ( 4.614 4.888 -3.251) 7.466 21.590 ( 9.993 -15.867 -3.435) 19.064 22.050 ( 11.360 -14.518 2.720) 18.634 23.435 ( -19.634 1.494 -0.005) 19.691 23.698 ( -14.579 -0.994 0.681) 14.629 26.484 ( 0.145 -0.953 2.215) 2.416 26.588 ( 4.076 -0.470 -1.269) 4.295 ======================= Grid point 25 (19/95) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -0.000 18.393 -0.000) 18.393 0.805 ( -0.000 20.295 -0.000) 20.295 1.522 ( -0.000 8.352 -0.000) 8.352 1.623 ( -0.000 31.963 -0.000) 31.963 1.867 ( 0.000 -1.680 0.000) 1.680 1.925 ( -0.000 12.700 -0.000) 12.700 2.012 ( -0.000 6.121 -0.000) 6.121 2.038 ( -0.000 4.952 -0.000) 4.952 2.127 ( -0.000 4.023 -0.000) 4.023 2.168 ( -0.000 13.055 -0.000) 13.055 2.285 ( 0.000 -5.579 0.000) 5.579 2.341 ( -0.000 4.270 -0.000) 4.270 2.493 ( -0.000 0.749 -0.000) 0.749 2.617 ( 0.000 -7.457 0.000) 7.457 2.858 ( 0.000 -3.673 0.000) 3.673 2.911 ( 0.000 -5.660 0.000) 5.660 2.997 ( 0.000 -4.630 0.000) 4.630 3.042 ( -0.000 0.693 -0.000) 0.693 3.130 ( 0.000 -1.278 0.000) 1.278 3.153 ( 0.000 -8.313 0.000) 8.313 3.312 ( 0.000 -0.606 0.000) 0.606 3.479 ( -0.000 2.807 -0.000) 2.807 3.581 ( 0.000 -1.354 0.000) 1.354 3.693 ( -0.000 0.116 -0.000) 0.116 3.768 ( -0.000 0.652 -0.000) 0.652 3.926 ( -0.000 1.048 -0.000) 1.048 4.167 ( 0.000 -3.178 0.000) 3.178 4.508 ( -0.000 0.566 -0.000) 0.566 4.566 ( 0.000 -5.481 0.000) 5.481 4.607 ( 0.000 -0.115 0.000) 0.115 4.677 ( 0.000 -12.990 0.000) 12.990 4.934 ( 0.000 -0.906 0.000) 0.906 5.136 ( 0.000 -3.443 0.000) 3.443 5.370 ( -0.000 7.817 -0.000) 7.817 5.466 ( -0.000 1.221 -0.000) 1.221 5.697 ( 0.000 -3.250 0.000) 3.250 5.768 ( 0.000 -3.581 0.000) 3.581 5.815 ( -0.000 0.607 -0.000) 0.607 6.508 ( 0.000 -12.453 0.000) 12.453 7.003 ( -0.000 3.303 -0.000) 3.303 7.171 ( 0.000 -6.423 0.000) 6.423 7.532 ( 0.000 -0.717 0.000) 0.717 7.608 ( 0.000 -0.160 0.000) 0.160 7.907 ( 0.000 -3.597 0.000) 3.597 7.964 ( 0.000 -8.741 0.000) 8.741 8.489 ( -0.000 6.545 -0.000) 6.545 8.921 ( 0.000 -0.045 0.000) 0.045 9.515 ( -0.000 10.043 -0.000) 10.043 9.584 ( -0.000 1.193 -0.000) 1.193 9.654 ( -0.000 1.041 -0.000) 1.041 9.715 ( 0.000 -0.771 0.000) 0.771 10.007 ( -0.000 0.392 -0.000) 0.392 10.286 ( 0.000 -4.730 0.000) 4.730 10.454 ( -0.000 12.628 -0.000) 12.628 10.605 ( 0.000 -4.625 0.000) 4.625 11.030 ( 0.000 -9.781 0.000) 9.781 11.173 ( 0.000 -0.203 0.000) 0.203 11.305 ( 0.000 -7.250 0.000) 7.250 14.035 ( 0.000 -1.348 0.000) 1.348 14.270 ( -0.000 0.022 -0.000) 0.022 19.445 ( 0.000 -0.162 0.000) 0.162 19.590 ( -0.000 6.122 -0.000) 6.122 19.682 ( -0.000 12.940 -0.000) 12.940 20.212 ( -0.000 4.462 -0.000) 4.462 20.688 ( -0.000 1.924 -0.000) 1.924 20.819 ( -0.000 1.226 -0.000) 1.226 21.855 ( 0.000 -16.153 0.000) 16.153 22.290 ( 0.000 -14.735 0.000) 14.735 23.203 ( -0.000 3.432 -0.000) 3.432 23.545 ( -0.000 2.237 -0.000) 2.237 26.483 ( 0.000 -0.021 0.000) 0.021 26.632 ( 0.000 -0.490 0.000) 0.490 ======================= Grid point 30 (20/95) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 1.992 0.000 1.775) 2.668 1.416 ( 1.838 0.000 -1.245) 2.220 1.675 ( -0.138 -0.000 3.337) 3.340 1.752 ( 8.284 0.000 -4.042) 9.217 1.891 ( 10.025 0.000 -1.414) 10.125 1.936 ( 3.327 0.000 -2.283) 4.035 2.161 ( -15.944 -0.000 -4.067) 16.454 2.215 ( 0.883 0.000 3.708) 3.811 2.232 ( 6.187 0.000 -0.575) 6.214 2.339 ( 5.600 0.000 1.681) 5.847 2.342 ( -4.771 -0.000 0.898) 4.855 2.426 ( -5.109 -0.000 0.411) 5.125 2.436 ( -0.508 -0.000 -0.916) 1.047 2.637 ( 5.806 0.000 -0.006) 5.806 2.672 ( -0.860 -0.000 2.432) 2.579 2.848 ( 1.379 0.000 2.240) 2.630 2.999 ( -1.163 -0.000 2.141) 2.437 3.032 ( 0.919 0.000 -11.305) 11.342 3.183 ( 3.252 0.000 -2.205) 3.929 3.231 ( 0.837 0.000 2.825) 2.947 3.556 ( -3.244 -0.000 -1.872) 3.745 3.560 ( 1.943 0.000 0.955) 2.165 3.608 ( 4.836 0.000 -0.671) 4.883 3.631 ( 4.224 0.000 5.323) 6.795 3.828 ( -4.682 -0.000 4.104) 6.226 3.920 ( -4.483 -0.000 0.293) 4.492 4.232 ( -12.541 -0.000 -0.375) 12.547 4.440 ( 0.340 0.000 0.334) 0.476 4.604 ( -8.237 -0.000 -1.324) 8.343 4.671 ( -3.600 -0.000 0.785) 3.685 4.691 ( -2.607 -0.000 2.595) 3.679 4.746 ( 2.877 0.000 -2.643) 3.906 5.399 ( 1.682 0.000 -0.369) 1.722 5.488 ( -10.413 -0.000 5.061) 11.578 5.575 ( -3.524 -0.000 -1.464) 3.816 5.892 ( -4.089 -0.000 -8.370) 9.316 6.592 ( -17.859 -0.000 -1.417) 17.915 6.626 ( -25.118 -0.000 3.663) 25.384 6.958 ( -25.403 -0.000 9.076) 26.976 7.085 ( -5.993 -0.000 -12.260) 13.646 7.400 ( 2.949 0.000 -8.446) 8.946 7.605 ( -7.313 -0.000 5.541) 9.175 7.730 ( 6.169 0.000 16.646) 17.752 7.838 ( -2.815 -0.000 0.436) 2.849 8.011 ( -9.154 -0.000 -2.406) 9.465 8.262 ( -2.393 -0.000 -14.341) 14.539 8.885 ( 16.448 0.000 15.470) 22.580 8.985 ( 30.956 0.000 -5.549) 31.449 9.544 ( 3.118 0.000 -12.254) 12.645 9.790 ( -9.471 -0.000 11.935) 15.236 10.005 ( 5.749 0.000 -9.569) 11.164 10.162 ( -7.017 -0.000 -7.247) 10.088 10.435 ( -11.526 -0.000 5.607) 12.818 10.562 ( -1.855 -0.000 17.367) 17.466 10.676 ( -14.321 -0.000 6.351) 15.666 11.147 ( -6.834 -0.000 -13.539) 15.166 11.505 ( -5.264 -0.000 -10.451) 11.701 11.672 ( -13.292 -0.000 7.193) 15.114 14.139 ( 3.590 0.000 6.172) 7.140 14.183 ( -5.020 -0.000 -5.023) 7.101 19.389 ( 0.164 0.000 -4.283) 4.287 19.548 ( 6.207 0.000 7.387) 9.649 20.010 ( 7.559 0.000 -8.987) 11.743 20.180 ( 6.686 0.000 4.670) 8.155 20.443 ( 8.213 0.000 3.163) 8.801 20.760 ( 8.073 0.000 -1.585) 8.227 21.085 ( -4.069 -0.000 -2.028) 4.546 21.154 ( 11.801 0.000 1.404) 11.884 24.247 ( -18.573 -0.000 3.480) 18.896 24.270 ( -17.630 -0.000 -3.720) 18.018 26.373 ( 5.802 0.000 -2.656) 6.381 26.391 ( 2.104 0.000 3.124) 3.766 ======================= Grid point 32 (21/95) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 4.983 4.848 -0.873) 7.006 1.521 ( 9.271 -2.969 -2.353) 10.015 1.625 ( -4.379 5.077 3.006) 7.348 1.816 ( -10.837 1.722 0.717) 10.996 1.878 ( 3.632 -0.938 0.591) 3.797 2.009 ( 2.025 1.436 -3.701) 4.457 2.103 ( 6.947 -4.367 0.011) 8.205 2.191 ( -4.156 3.306 2.006) 5.676 2.227 ( 1.219 5.399 -1.728) 5.799 2.302 ( -3.773 2.379 2.452) 5.090 2.374 ( -1.395 -4.827 -2.710) 5.709 2.449 ( 3.459 -4.853 4.323) 7.363 2.488 ( 5.307 -1.605 -3.622) 6.623 2.605 ( -3.096 1.411 3.465) 4.856 2.727 ( 0.949 -3.467 0.018) 3.595 2.861 ( 1.275 5.456 2.277) 6.048 2.960 ( -2.906 1.332 -1.130) 3.391 3.020 ( -0.494 0.170 -4.896) 4.924 3.220 ( 1.048 2.813 1.339) 3.287 3.271 ( 3.586 -0.229 -2.329) 4.282 3.423 ( -4.890 10.782 -0.298) 11.843 3.555 ( -1.891 0.049 -0.875) 2.084 3.611 ( 0.351 0.948 1.120) 1.509 3.733 ( 6.502 4.928 0.687) 8.187 3.783 ( -2.937 0.125 3.666) 4.698 3.925 ( -0.955 -8.789 0.673) 8.866 4.055 ( -4.955 -4.273 -0.049) 6.543 4.315 ( -11.602 -0.042 -1.415) 11.688 4.515 ( -0.639 1.547 0.352) 1.710 4.570 ( -11.110 -3.138 1.784) 11.682 4.627 ( -1.743 0.167 0.123) 1.755 4.811 ( 4.887 0.946 0.082) 4.979 5.397 ( 0.100 -0.454 5.928) 5.946 5.406 ( -1.144 1.404 -4.278) 4.645 5.552 ( -5.427 -5.817 -2.762) 8.422 5.806 ( -3.953 -1.685 -6.098) 7.460 6.101 ( -28.373 0.468 4.352) 28.709 6.294 ( -16.472 -1.558 -6.394) 17.738 6.490 ( -24.652 -1.042 9.626) 26.485 7.061 ( 1.872 0.537 -14.830) 14.957 7.407 ( -12.043 -0.243 12.466) 17.335 7.464 ( 1.024 -2.848 -5.857) 6.592 7.742 ( -4.976 1.906 2.761) 6.002 7.798 ( -9.605 -0.029 -0.449) 9.615 7.960 ( 12.207 -3.004 15.044) 19.605 8.125 ( -9.888 -0.245 -15.518) 18.402 9.257 ( 19.755 0.586 12.048) 23.147 9.442 ( 16.482 2.091 -2.559) 16.810 9.598 ( -4.162 2.190 3.503) 5.865 9.641 ( 3.353 0.428 -8.866) 9.489 9.993 ( -6.716 0.397 0.642) 6.759 10.121 ( 5.060 -0.185 -14.678) 15.527 10.160 ( -16.697 2.741 3.930) 17.370 10.445 ( -11.024 -3.706 5.046) 12.678 10.556 ( -2.690 -3.794 12.142) 13.002 10.965 ( -8.590 -1.729 -8.255) 12.038 11.397 ( -17.392 -0.308 10.786) 20.467 11.462 ( -2.040 0.007 -11.805) 11.980 14.083 ( -5.111 -0.068 -4.975) 7.133 14.211 ( 3.923 0.392 5.769) 6.987 19.402 ( 1.158 -0.203 -2.848) 3.081 19.657 ( 5.910 1.893 7.222) 9.522 20.084 ( 3.626 4.953 -7.794) 9.921 20.299 ( 7.316 3.540 3.198) 8.734 20.595 ( 8.426 1.922 0.935) 8.693 20.850 ( 3.534 2.191 -2.060) 4.640 21.085 ( 2.431 -6.175 0.928) 6.701 21.465 ( 16.999 -5.909 0.037) 17.997 23.869 ( -21.344 2.240 0.868) 21.479 23.930 ( -20.035 -3.413 -0.913) 20.344 26.436 ( 2.320 -0.307 2.365) 3.327 26.484 ( 5.993 -0.258 -1.902) 6.293 ======================= Grid point 33 (22/95) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -6.786 14.610 -5.372) 16.981 1.405 ( -7.599 14.173 3.033) 16.366 1.715 ( -0.815 -6.753 2.181) 7.143 1.790 ( 8.919 3.587 0.035) 9.613 1.851 ( -6.337 -7.648 1.824) 10.098 2.030 ( 0.176 0.098 -3.322) 3.328 2.111 ( 6.303 9.009 -2.316) 11.236 2.217 ( -0.360 3.962 0.292) 3.989 2.226 ( 1.164 1.347 1.378) 2.251 2.248 ( 3.930 -0.782 5.204) 6.568 2.414 ( -0.336 0.498 -5.288) 5.322 2.459 ( -2.481 -1.194 0.475) 2.794 2.523 ( -1.373 -6.372 3.452) 7.375 2.652 ( 3.794 3.401 2.736) 5.783 2.747 ( -2.767 -2.865 0.417) 4.005 2.805 ( -4.459 4.178 -3.578) 7.081 2.848 ( 1.402 4.904 -1.641) 5.358 3.029 ( -1.904 -3.263 0.536) 3.816 3.214 ( 2.351 5.361 1.093) 5.955 3.236 ( -0.781 10.349 1.863) 10.544 3.308 ( -0.015 3.753 -1.441) 4.020 3.525 ( -1.472 -1.743 -4.029) 4.630 3.601 ( -2.270 -0.543 0.679) 2.430 3.743 ( 2.792 5.382 5.378) 8.104 3.765 ( 0.796 3.177 -1.548) 3.623 3.959 ( -0.379 -2.267 -1.040) 2.522 4.132 ( -6.730 -4.625 1.275) 8.265 4.180 ( 4.030 -10.934 -0.415) 11.661 4.425 ( -7.203 -7.959 0.976) 10.779 4.558 ( 5.668 1.318 -3.320) 6.699 4.580 ( -3.025 0.925 1.341) 3.436 4.890 ( 4.537 1.759 3.341) 5.902 5.268 ( -12.197 1.103 -7.682) 14.457 5.432 ( -0.279 -1.770 -0.326) 1.821 5.496 ( -1.936 -3.674 4.337) 6.005 5.695 ( -12.808 0.157 1.695) 12.921 5.786 ( -5.632 -1.256 4.438) 7.280 5.985 ( -15.924 -3.232 -15.669) 22.573 6.233 ( -7.452 -5.625 8.217) 12.437 7.076 ( 1.436 1.963 -9.883) 10.178 7.177 ( -13.679 -2.721 12.193) 18.526 7.519 ( 1.013 -2.271 -2.196) 3.317 7.653 ( -3.312 0.472 0.495) 3.382 7.691 ( -2.079 -4.402 1.271) 5.031 7.937 ( -8.635 -0.631 -12.792) 15.446 8.290 ( 19.398 -0.836 13.267) 23.516 9.242 ( -23.772 -1.107 5.706) 24.473 9.516 ( 9.485 0.481 5.350) 10.900 9.661 ( 7.093 5.443 -6.992) 11.350 9.739 ( 2.834 4.915 -10.459) 11.899 9.874 ( -8.174 6.442 4.195) 11.221 9.960 ( 2.450 -1.865 3.948) 5.007 10.198 ( 0.746 -1.359 -8.655) 8.793 10.382 ( -0.240 -9.210 -1.643) 9.359 10.577 ( 1.380 -3.165 2.365) 4.185 10.937 ( 0.961 -1.619 3.851) 4.286 11.089 ( -15.010 -1.989 10.215) 18.265 11.372 ( -7.363 0.245 -10.104) 12.505 14.009 ( -3.179 -1.373 -3.085) 4.638 14.272 ( 3.215 1.479 3.521) 4.992 19.425 ( 1.009 -0.399 -1.342) 1.726 19.719 ( 3.576 4.126 4.911) 7.344 20.047 ( 0.941 10.072 -4.933) 11.254 20.360 ( 4.363 6.942 1.163) 8.281 20.691 ( 4.858 2.726 1.755) 5.841 20.861 ( 1.749 3.588 -1.509) 4.267 21.286 ( 6.288 -15.484 -0.877) 16.735 21.809 ( 11.266 -10.141 0.340) 15.162 23.487 ( -16.096 3.846 -0.127) 16.550 23.652 ( -13.538 -3.648 0.347) 14.025 26.472 ( 1.040 -0.353 1.546) 1.896 26.578 ( 3.844 -0.474 -1.147) 4.039 ======================= Grid point 34 (23/95) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -0.000 17.862 -0.000) 17.862 1.165 ( -0.000 17.668 -0.000) 17.668 1.683 ( -0.000 7.709 -0.000) 7.709 1.767 ( 0.000 -6.764 0.000) 6.764 2.004 ( -0.000 7.281 -0.000) 7.281 2.019 ( 0.000 -6.813 0.000) 6.813 2.074 ( -0.000 7.123 -0.000) 7.123 2.152 ( -0.000 9.033 -0.000) 9.033 2.244 ( -0.000 0.328 -0.000) 0.328 2.278 ( -0.000 8.038 -0.000) 8.038 2.404 ( -0.000 3.479 -0.000) 3.479 2.428 ( 0.000 -9.141 0.000) 9.141 2.547 ( -0.000 20.182 -0.000) 20.182 2.589 ( -0.000 3.763 -0.000) 3.763 2.681 ( 0.000 -8.660 0.000) 8.660 2.795 ( 0.000 -6.788 0.000) 6.788 2.905 ( 0.000 -4.041 0.000) 4.041 3.028 ( 0.000 -2.875 0.000) 2.875 3.152 ( -0.000 5.512 -0.000) 5.512 3.171 ( -0.000 7.798 -0.000) 7.798 3.296 ( 0.000 -0.730 0.000) 0.730 3.541 ( 0.000 -3.292 0.000) 3.292 3.555 ( -0.000 3.752 -0.000) 3.752 3.726 ( -0.000 4.652 -0.000) 4.652 3.765 ( 0.000 -0.557 0.000) 0.557 3.947 ( -0.000 1.000 -0.000) 1.000 4.093 ( 0.000 -4.345 0.000) 4.345 4.392 ( 0.000 -15.146 0.000) 15.146 4.449 ( 0.000 -8.214 0.000) 8.214 4.529 ( -0.000 1.461 -0.000) 1.461 4.627 ( -0.000 1.870 -0.000) 1.870 4.926 ( 0.000 -0.181 0.000) 0.181 5.099 ( -0.000 0.324 -0.000) 0.324 5.429 ( 0.000 -2.553 0.000) 2.553 5.506 ( -0.000 3.799 -0.000) 3.799 5.624 ( 0.000 -4.510 0.000) 4.510 5.701 ( 0.000 -3.028 0.000) 3.028 5.838 ( -0.000 1.687 -0.000) 1.687 6.274 ( 0.000 -11.415 0.000) 11.415 7.063 ( -0.000 2.930 -0.000) 2.930 7.066 ( 0.000 -4.050 0.000) 4.050 7.532 ( -0.000 0.252 -0.000) 0.252 7.610 ( -0.000 0.092 -0.000) 0.092 7.783 ( 0.000 -9.546 0.000) 9.546 7.854 ( 0.000 -2.151 0.000) 2.151 8.574 ( -0.000 2.763 -0.000) 2.763 8.907 ( 0.000 -1.145 0.000) 1.145 9.629 ( -0.000 3.173 -0.000) 3.173 9.654 ( -0.000 0.309 -0.000) 0.309 9.708 ( 0.000 -0.034 0.000) 0.034 9.733 ( -0.000 11.013 -0.000) 11.013 10.009 ( 0.000 -0.327 0.000) 0.327 10.204 ( 0.000 -3.342 0.000) 3.342 10.496 ( 0.000 -6.525 0.000) 6.525 10.678 ( -0.000 10.383 -0.000) 10.383 10.787 ( 0.000 -13.627 0.000) 13.627 11.168 ( 0.000 -6.819 0.000) 6.819 11.213 ( -0.000 2.756 -0.000) 2.756 13.997 ( 0.000 -2.216 0.000) 2.216 14.290 ( -0.000 1.659 -0.000) 1.659 19.439 ( 0.000 -0.469 0.000) 0.469 19.708 ( -0.000 5.701 -0.000) 5.701 19.939 ( -0.000 13.275 -0.000) 13.275 20.327 ( -0.000 7.613 -0.000) 7.613 20.720 ( -0.000 1.622 -0.000) 1.622 20.853 ( -0.000 2.329 -0.000) 2.329 21.521 ( 0.000 -18.494 0.000) 18.494 22.024 ( 0.000 -12.805 0.000) 12.805 23.283 ( -0.000 4.959 -0.000) 4.959 23.547 ( 0.000 -1.843 0.000) 1.843 26.482 ( 0.000 -0.065 0.000) 0.065 26.620 ( 0.000 -0.683 0.000) 0.683 ======================= Grid point 41 (24/95) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -7.615 -0.000 -5.400) 9.335 1.549 ( 3.181 0.000 -0.464) 3.214 1.621 ( -0.469 -0.000 2.208) 2.258 1.656 ( -6.180 -0.000 3.377) 7.043 1.872 ( 4.100 0.000 0.670) 4.154 2.030 ( -0.375 -0.000 -0.453) 0.588 2.153 ( 1.951 0.000 3.169) 3.722 2.223 ( 4.136 0.000 -0.014) 4.136 2.271 ( 0.932 0.000 0.640) 1.130 2.322 ( -0.298 -0.000 -0.803) 0.857 2.330 ( 4.782 0.000 0.003) 4.782 2.465 ( 0.211 0.000 3.451) 3.457 2.478 ( -4.733 -0.000 -4.762) 6.714 2.673 ( -5.033 -0.000 -1.565) 5.271 2.684 ( 9.580 0.000 2.460) 9.890 2.862 ( -6.797 -0.000 -0.986) 6.868 2.940 ( 1.752 0.000 -1.100) 2.069 2.963 ( -4.600 -0.000 -1.940) 4.993 3.253 ( 1.667 0.000 3.428) 3.812 3.340 ( 2.683 0.000 0.616) 2.753 3.463 ( 0.549 0.000 -2.322) 2.386 3.478 ( -5.172 -0.000 -0.317) 5.182 3.557 ( -0.987 -0.000 -0.310) 1.035 3.806 ( -3.866 -0.000 0.965) 3.985 3.886 ( 4.742 0.000 2.029) 5.158 3.899 ( 8.089 0.000 -1.019) 8.153 3.979 ( -1.748 -0.000 2.189) 2.801 4.136 ( -6.494 -0.000 -2.253) 6.874 4.320 ( -9.608 -0.000 0.367) 9.615 4.573 ( 5.667 0.000 -1.348) 5.825 4.590 ( -2.689 -0.000 1.495) 3.077 4.909 ( 3.937 0.000 2.309) 4.564 5.314 ( -13.627 -0.000 -6.109) 14.934 5.367 ( -4.137 -0.000 -5.525) 6.902 5.462 ( 4.663 0.000 7.875) 9.152 5.707 ( -14.223 -0.000 1.756) 14.331 5.765 ( -3.904 -0.000 2.438) 4.603 5.951 ( -13.932 -0.000 -15.518) 20.855 6.183 ( -10.275 -0.000 10.950) 15.016 7.096 ( 1.811 0.000 -10.239) 10.398 7.153 ( -13.303 -0.000 11.837) 17.807 7.487 ( 2.084 0.000 -3.906) 4.427 7.647 ( -3.481 -0.000 2.216) 4.126 7.663 ( -4.733 -0.000 1.181) 4.878 7.932 ( -9.485 -0.000 -13.193) 16.248 8.280 ( 21.038 0.000 12.982) 24.721 9.229 ( -22.351 -0.000 7.601) 23.608 9.521 ( 9.793 0.000 4.876) 10.940 9.723 ( 2.173 0.000 -11.220) 11.428 9.789 ( -2.038 -0.000 -7.580) 7.849 9.931 ( 5.231 0.000 3.429) 6.255 9.960 ( -4.565 -0.000 3.562) 5.790 10.217 ( 8.785 0.000 -11.844) 14.746 10.246 ( -7.490 -0.000 3.101) 8.107 10.528 ( 0.210 0.000 3.676) 3.682 10.922 ( 5.488 0.000 0.930) 5.566 11.076 ( -17.997 -0.000 12.840) 22.108 11.377 ( -7.101 -0.000 -10.568) 12.732 13.995 ( -3.542 -0.000 -3.661) 5.094 14.288 ( 3.297 0.000 3.942) 5.139 19.421 ( 0.983 0.000 -1.347) 1.668 19.759 ( 3.647 0.000 4.942) 6.142 20.152 ( 1.601 0.000 -5.536) 5.763 20.439 ( 5.188 0.000 1.705) 5.461 20.729 ( 4.624 0.000 -0.146) 4.627 20.918 ( 2.343 0.000 -0.465) 2.389 21.091 ( 2.691 0.000 0.951) 2.854 21.706 ( 11.386 0.000 -0.397) 11.393 23.564 ( -14.947 -0.000 -2.121) 15.097 23.576 ( -13.164 -0.000 2.180) 13.344 26.469 ( 1.270 0.000 1.417) 1.903 26.573 ( 3.764 0.000 -1.133) 3.931 ======================= Grid point 43 (25/95) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -0.000 14.138 -0.000) 14.138 1.461 ( -0.000 13.496 -0.000) 13.496 1.624 ( 0.000 -8.238 0.000) 8.238 1.694 ( 0.000 -8.860 0.000) 8.860 1.953 ( -0.000 2.661 -0.000) 2.661 2.020 ( 0.000 -0.207 0.000) 0.207 2.238 ( 0.000 -3.170 0.000) 3.170 2.265 ( -0.000 5.137 -0.000) 5.137 2.274 ( 0.000 -3.028 0.000) 3.028 2.288 ( -0.000 6.414 -0.000) 6.414 2.379 ( -0.000 2.689 -0.000) 2.689 2.438 ( 0.000 -7.419 0.000) 7.419 2.447 ( -0.000 2.588 -0.000) 2.588 2.646 ( 0.000 -7.666 0.000) 7.666 2.762 ( -0.000 3.166 -0.000) 3.166 2.794 ( -0.000 7.456 -0.000) 7.456 2.868 ( 0.000 -0.447 0.000) 0.447 2.971 ( 0.000 -3.186 0.000) 3.186 3.286 ( 0.000 -0.141 0.000) 0.141 3.320 ( -0.000 7.191 -0.000) 7.191 3.379 ( -0.000 14.259 -0.000) 14.259 3.454 ( 0.000 -5.600 0.000) 5.600 3.581 ( 0.000 -1.272 0.000) 1.272 3.758 ( 0.000 -0.168 0.000) 0.168 3.872 ( -0.000 8.763 -0.000) 8.763 3.960 ( -0.000 0.366 -0.000) 0.366 4.012 ( 0.000 -5.296 0.000) 5.296 4.131 ( 0.000 -8.519 0.000) 8.519 4.290 ( 0.000 -7.771 0.000) 7.771 4.554 ( -0.000 0.859 -0.000) 0.859 4.660 ( -0.000 1.114 -0.000) 1.114 4.923 ( 0.000 -0.179 0.000) 0.179 5.148 ( -0.000 3.872 -0.000) 3.872 5.342 ( 0.000 -5.023 0.000) 5.023 5.549 ( 0.000 -2.560 0.000) 2.560 5.560 ( -0.000 1.531 -0.000) 1.531 5.663 ( 0.000 -1.004 0.000) 1.004 5.866 ( -0.000 0.932 -0.000) 0.932 6.115 ( 0.000 -4.639 0.000) 4.639 7.024 ( 0.000 -0.721 0.000) 0.721 7.105 ( -0.000 1.246 -0.000) 1.246 7.518 ( 0.000 -1.649 0.000) 1.649 7.612 ( -0.000 0.264 -0.000) 0.264 7.653 ( 0.000 -3.318 0.000) 3.318 7.826 ( 0.000 -0.755 0.000) 0.755 8.605 ( -0.000 0.723 -0.000) 0.723 8.888 ( 0.000 -0.634 0.000) 0.634 9.653 ( 0.000 -0.074 0.000) 0.074 9.684 ( -0.000 2.145 -0.000) 2.145 9.709 ( 0.000 -0.052 0.000) 0.052 9.910 ( -0.000 6.141 -0.000) 6.141 9.994 ( 0.000 -0.875 0.000) 0.875 10.176 ( -0.000 0.103 -0.000) 0.103 10.382 ( 0.000 -4.367 0.000) 4.367 10.577 ( 0.000 -6.990 0.000) 6.990 10.831 ( -0.000 5.316 -0.000) 5.316 11.060 ( 0.000 -4.121 0.000) 4.121 11.253 ( -0.000 1.203 -0.000) 1.203 13.966 ( 0.000 -0.932 0.000) 0.932 14.317 ( -0.000 0.859 -0.000) 0.859 19.431 ( 0.000 -0.250 0.000) 0.250 19.784 ( -0.000 2.148 -0.000) 2.148 20.135 ( -0.000 6.106 -0.000) 6.106 20.464 ( -0.000 5.049 -0.000) 5.049 20.758 ( -0.000 2.134 -0.000) 2.134 20.911 ( -0.000 4.123 -0.000) 4.123 21.198 ( 0.000 -13.737 0.000) 13.737 21.840 ( 0.000 -5.639 0.000) 5.639 23.382 ( -0.000 5.276 -0.000) 5.276 23.485 ( 0.000 -4.306 0.000) 4.306 26.481 ( 0.000 -0.040 0.000) 0.040 26.610 ( 0.000 -0.326 0.000) 0.326 ======================= Grid point 85 (26/95) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( -4.933 -0.000 21.926) 22.474 0.465 ( 3.273 0.000 23.522) 23.748 0.892 ( -0.582 -0.000 44.074) 44.077 1.190 ( -0.279 -0.000 -13.424) 13.427 1.307 ( 1.502 0.000 -22.530) 22.580 1.779 ( -3.119 -0.000 5.239) 6.097 1.941 ( -2.950 -0.000 3.098) 4.278 2.060 ( 2.618 0.000 7.487) 7.932 2.104 ( 0.801 0.000 -7.660) 7.701 2.198 ( -2.158 -0.000 5.777) 6.167 2.213 ( 0.952 0.000 -1.747) 1.990 2.486 ( 1.853 0.000 2.019) 2.740 2.593 ( -5.160 -0.000 6.330) 8.166 2.696 ( -0.663 -0.000 -5.894) 5.932 2.787 ( 2.124 0.000 -23.221) 23.318 2.885 ( 1.236 0.000 -4.276) 4.451 3.081 ( 0.068 0.000 2.143) 2.144 3.105 ( -0.571 -0.000 -2.169) 2.242 3.167 ( 5.076 0.000 -0.333) 5.087 3.252 ( -3.895 -0.000 -2.494) 4.626 3.373 ( 2.078 0.000 -3.477) 4.050 3.378 ( -1.415 -0.000 -2.450) 2.829 3.683 ( 7.524 0.000 4.433) 8.733 3.765 ( -3.201 -0.000 5.598) 6.448 3.830 ( -6.188 -0.000 1.619) 6.397 3.911 ( 5.660 0.000 0.623) 5.694 4.070 ( -0.174 -0.000 4.375) 4.378 4.211 ( -2.409 -0.000 -0.579) 2.478 4.647 ( 0.637 0.000 -1.239) 1.393 4.715 ( 13.201 0.000 -2.848) 13.505 4.955 ( -13.156 -0.000 6.249) 14.565 5.015 ( -8.653 -0.000 6.178) 10.632 5.030 ( -2.000 -0.000 4.590) 5.007 5.263 ( -0.400 -0.000 -4.981) 4.997 5.622 ( -9.052 -0.000 -7.933) 12.036 5.786 ( -4.166 -0.000 -6.870) 8.035 5.936 ( 14.309 0.000 6.324) 15.644 6.073 ( 26.377 0.000 -5.004) 26.847 6.527 ( -2.082 -0.000 7.402) 7.689 6.843 ( -4.994 -0.000 -3.051) 5.852 7.378 ( -3.298 -0.000 6.159) 6.986 7.561 ( 5.445 0.000 -2.649) 6.055 7.787 ( -7.030 -0.000 7.983) 10.637 7.908 ( 1.952 0.000 -0.021) 1.952 7.975 ( 4.326 0.000 -7.090) 8.305 8.159 ( -0.586 -0.000 -4.040) 4.082 9.002 ( 9.245 0.000 9.551) 13.293 9.448 ( 5.335 0.000 -10.133) 11.451 9.613 ( -4.994 -0.000 1.080) 5.109 9.679 ( -3.867 -0.000 -2.617) 4.669 9.824 ( -8.019 -0.000 4.918) 9.408 9.934 ( -5.687 -0.000 -0.352) 5.698 10.224 ( 6.185 0.000 5.323) 8.160 10.373 ( -2.465 -0.000 -1.995) 3.172 10.668 ( 8.686 0.000 -0.686) 8.713 10.943 ( -3.897 -0.000 -11.668) 12.302 11.343 ( -9.631 -0.000 7.930) 12.476 11.539 ( 8.171 0.000 0.111) 8.172 14.052 ( -1.530 -0.000 1.445) 2.104 14.112 ( 1.465 0.000 -1.074) 1.816 19.390 ( -0.517 -0.000 -0.747) 0.909 19.417 ( 0.266 0.000 -1.150) 1.180 19.678 ( 0.219 0.000 9.940) 9.942 20.136 ( 1.444 0.000 -10.278) 10.379 20.640 ( -6.338 -0.000 0.533) 6.360 20.647 ( 31.227 0.000 0.021) 31.227 22.285 ( 2.357 0.000 8.634) 8.950 22.712 ( -23.015 -0.000 -10.508) 25.300 23.211 ( -3.960 -0.000 5.893) 7.100 23.381 ( 0.568 0.000 -2.373) 2.440 26.617 ( -16.432 -0.000 0.376) 16.437 26.635 ( 2.965 0.000 -0.340) 2.985 ======================= Grid point 86 (27/95) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 10.769 -19.186 12.422) 25.266 0.773 ( 17.461 -4.653 17.395) 25.082 1.174 ( 19.319 -8.303 29.867) 36.527 1.336 ( 9.674 -2.185 -14.914) 17.911 1.421 ( 7.849 -6.203 -19.680) 22.077 1.734 ( 1.889 -1.218 4.209) 4.772 1.885 ( -2.582 -4.043 2.457) 5.390 2.056 ( -0.741 1.102 7.636) 7.750 2.137 ( 2.514 2.480 0.127) 3.534 2.196 ( 2.205 -1.953 0.548) 2.997 2.226 ( 0.163 -0.081 -0.495) 0.527 2.468 ( -0.101 -2.724 8.246) 8.685 2.482 ( -3.929 -0.602 4.451) 5.968 2.643 ( -4.930 3.792 -4.154) 7.479 2.795 ( -0.945 1.611 -16.002) 16.111 2.882 ( 0.942 -0.377 -9.628) 9.681 3.034 ( -4.029 1.365 0.763) 4.322 3.048 ( -5.975 0.780 0.586) 6.055 3.167 ( -1.792 0.084 -7.531) 7.741 3.219 ( 0.858 1.540 1.082) 2.069 3.338 ( -0.518 3.791 -3.449) 5.152 3.389 ( 0.162 0.675 -2.270) 2.374 3.660 ( -5.597 3.299 2.315) 6.897 3.762 ( -1.332 -0.060 -0.226) 1.352 3.968 ( 10.091 8.583 4.419) 13.965 4.028 ( 9.269 1.254 0.025) 9.353 4.202 ( 7.293 -7.945 -8.173) 13.532 4.231 ( 3.461 -1.447 -3.015) 4.812 4.586 ( -9.163 3.949 4.779) 11.063 4.708 ( -16.434 -2.407 12.742) 20.934 4.796 ( 1.858 2.282 -3.775) 4.786 4.887 ( 3.549 -1.214 -2.597) 4.562 5.172 ( 8.117 -4.195 4.049) 9.993 5.337 ( 10.424 -0.211 -11.272) 15.355 5.617 ( -5.893 1.862 -1.443) 6.346 5.665 ( 9.186 -0.718 1.828) 9.394 6.147 ( 9.688 14.345 5.430) 18.142 6.353 ( 11.870 -3.444 0.879) 12.391 6.597 ( 10.572 -1.000 10.259) 14.765 6.892 ( 5.880 -2.893 -4.391) 7.888 7.375 ( 0.850 -0.059 3.518) 3.619 7.583 ( -0.368 1.221 -2.662) 2.952 7.681 ( 1.271 2.918 1.505) 3.521 7.982 ( 4.216 3.994 -3.608) 6.837 8.030 ( -5.946 1.265 1.093) 6.177 8.164 ( 2.873 -6.355 1.621) 7.160 9.225 ( 3.643 0.859 -9.956) 10.637 9.275 ( -17.484 -2.769 -7.824) 19.354 9.588 ( 3.923 8.278 5.148) 10.507 9.641 ( 2.727 -0.959 4.776) 5.583 9.828 ( 9.365 1.139 -3.748) 10.151 9.891 ( 0.498 -2.322 -1.462) 2.789 10.336 ( 2.312 -2.444 3.248) 4.677 10.380 ( 0.206 -1.862 -0.528) 1.947 10.817 ( 5.473 6.204 -0.050) 8.274 10.935 ( 2.773 -5.240 -0.934) 6.001 11.236 ( 0.968 2.099 -2.813) 3.641 11.679 ( 9.602 3.122 3.176) 10.585 14.031 ( -0.731 0.288 0.839) 1.150 14.167 ( 2.372 -2.098 -1.283) 3.416 19.383 ( -0.632 -0.989 -0.831) 1.438 19.436 ( 0.997 -1.836 -1.023) 2.326 19.649 ( -3.021 -1.027 10.737) 11.201 20.124 ( -1.365 0.830 -8.513) 8.661 20.459 ( -12.607 -2.074 -4.730) 13.624 20.713 ( -12.116 -2.177 8.769) 15.114 22.172 ( -11.507 5.044 9.697) 15.871 22.315 ( -17.606 4.725 -8.691) 20.195 23.497 ( 26.659 0.765 0.987) 26.688 23.605 ( 20.208 -1.294 -1.023) 20.275 26.473 ( -0.433 0.058 -0.767) 0.883 26.632 ( -3.189 0.323 2.119) 3.842 ======================= Grid point 87 (28/95) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 12.081 -21.160 5.671) 25.017 1.110 ( 14.041 -5.495 8.860) 17.489 1.277 ( -3.548 1.325 -3.782) 5.353 1.561 ( 2.064 -8.051 -8.954) 12.217 1.753 ( 9.316 1.704 8.614) 12.802 1.767 ( 10.049 -8.966 -5.947) 14.722 2.010 ( 2.633 -1.754 6.722) 7.429 2.099 ( 3.927 -0.325 -1.546) 4.233 2.164 ( 5.453 -2.573 4.530) 7.542 2.244 ( 2.142 -0.360 0.677) 2.275 2.265 ( 2.086 -1.885 1.166) 3.044 2.450 ( 2.380 1.505 2.571) 3.813 2.482 ( -2.231 1.049 -3.077) 3.943 2.606 ( 4.839 -5.684 5.144) 9.065 2.729 ( -2.975 1.744 -2.612) 4.326 2.777 ( -13.233 -0.237 -2.918) 13.553 2.978 ( 1.982 2.006 -2.062) 3.493 3.022 ( 3.011 -1.180 -6.517) 7.275 3.148 ( -2.024 2.369 -2.477) 3.980 3.194 ( 0.268 1.005 -4.668) 4.783 3.289 ( 0.205 4.857 -4.179) 6.411 3.355 ( -2.530 2.184 -0.006) 3.343 3.516 ( -6.219 2.649 1.554) 6.936 3.775 ( 3.141 1.289 -2.428) 4.174 4.027 ( 3.590 4.275 8.880) 10.489 4.169 ( 7.346 2.469 -1.003) 7.814 4.259 ( 1.610 2.069 -4.306) 5.042 4.355 ( 0.846 -3.353 -4.201) 5.441 4.415 ( -3.551 0.173 6.087) 7.049 4.549 ( -4.143 -2.945 -0.797) 5.145 4.763 ( -3.508 1.220 2.764) 4.630 4.897 ( -2.503 1.169 -4.265) 5.082 5.385 ( 12.276 0.565 3.152) 12.687 5.532 ( 6.366 2.095 -4.061) 7.836 5.647 ( 10.612 -1.865 -5.973) 12.319 5.869 ( 9.760 -1.652 5.872) 11.510 6.258 ( 15.084 5.867 2.858) 16.435 6.439 ( 5.095 1.921 -1.726) 5.712 6.942 ( 19.058 5.847 10.522) 22.541 7.028 ( 5.584 -5.149 1.338) 7.713 7.415 ( 7.407 3.050 -4.485) 9.181 7.564 ( -0.950 -0.525 -3.119) 3.302 7.777 ( 8.756 4.194 -0.046) 9.709 7.882 ( -7.491 1.934 5.924) 9.744 8.031 ( 6.603 3.659 -6.465) 9.939 8.248 ( 0.945 -6.655 10.295) 12.295 8.885 ( -23.915 -4.155 -7.813) 25.500 9.176 ( -11.993 -4.039 0.477) 12.664 9.548 ( -4.601 3.660 0.125) 5.880 9.792 ( 13.462 2.728 -3.469) 14.167 9.885 ( 5.219 3.873 -1.320) 6.632 10.110 ( 13.378 -0.508 -4.883) 14.250 10.283 ( -3.730 -0.590 -2.054) 4.299 10.485 ( 3.851 -7.248 4.493) 9.357 10.831 ( 3.187 6.471 4.240) 8.367 10.980 ( 0.234 -1.696 3.413) 3.819 11.396 ( 15.736 2.259 -9.226) 18.380 11.809 ( 7.597 4.063 4.467) 9.704 14.023 ( 0.266 0.459 1.095) 1.217 14.224 ( 2.440 -0.674 -0.880) 2.680 19.383 ( -0.230 -0.449 -1.661) 1.736 19.474 ( 0.815 -1.849 0.741) 2.152 19.633 ( -2.620 -6.062 8.101) 10.452 20.074 ( -2.378 1.365 -6.364) 6.929 20.272 ( -10.066 -3.692 -5.718) 12.151 20.606 ( -4.760 -7.006 8.369) 11.907 21.823 ( -18.666 8.758 7.393) 21.904 21.916 ( -19.781 5.528 -7.945) 22.022 23.954 ( 24.008 1.909 1.219) 24.115 24.012 ( 22.427 0.748 -1.180) 22.470 26.468 ( -0.437 1.432 -3.392) 3.708 26.532 ( -6.984 0.151 2.562) 7.440 ======================= Grid point 88 (29/95) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -1.419 -0.650 -2.130) 2.640 1.336 ( 7.434 -4.383 2.154) 8.895 1.429 ( 7.463 -14.530 -2.421) 16.513 1.594 ( 1.451 -3.854 1.031) 4.246 1.778 ( -0.330 3.616 1.035) 3.776 1.952 ( 3.544 -1.688 -5.285) 6.583 2.024 ( -3.403 0.088 -1.464) 3.706 2.146 ( 3.357 -3.128 9.396) 10.457 2.247 ( 4.077 0.761 -2.500) 4.843 2.306 ( 2.779 2.169 2.389) 4.258 2.379 ( 1.712 -4.765 2.825) 5.797 2.463 ( -4.687 -0.679 -3.256) 5.747 2.548 ( 5.145 -6.182 0.274) 8.048 2.571 ( -4.813 1.601 2.585) 5.693 2.690 ( 1.190 0.848 -0.050) 1.462 2.778 ( 6.053 -6.299 0.163) 8.737 2.984 ( -0.091 3.064 5.731) 6.499 3.059 ( -0.357 0.237 -0.245) 0.493 3.112 ( 1.286 1.212 -2.694) 3.222 3.185 ( 0.009 3.759 -5.090) 6.328 3.261 ( 0.537 2.923 -3.963) 4.953 3.307 ( 0.941 -1.647 0.148) 1.902 3.426 ( -2.293 -1.021 -0.554) 2.571 3.780 ( -2.174 4.995 -1.211) 5.580 4.040 ( 3.795 2.410 4.185) 6.142 4.228 ( -2.684 0.927 1.582) 3.251 4.257 ( 2.234 0.587 -5.300) 5.782 4.337 ( 0.600 0.212 -1.503) 1.632 4.469 ( 4.548 -1.679 0.588) 4.884 4.596 ( 5.743 -0.590 -4.409) 7.264 4.692 ( -4.704 -2.960 6.299) 8.401 4.834 ( -0.803 2.873 -3.904) 4.913 5.505 ( 0.066 0.136 8.127) 8.129 5.593 ( 7.347 6.313 -4.384) 10.632 5.822 ( 5.696 0.375 -3.581) 6.738 6.016 ( 3.687 -2.529 -0.511) 4.500 6.571 ( 20.523 0.309 -0.593) 20.534 6.648 ( 20.232 2.279 0.885) 20.379 7.106 ( 5.264 -1.796 4.003) 6.853 7.178 ( 7.616 3.201 4.447) 9.382 7.548 ( 6.445 4.561 -2.009) 8.147 7.577 ( 2.454 0.555 -3.035) 3.943 7.732 ( -4.114 2.067 6.126) 7.663 7.859 ( 4.697 3.270 -0.067) 5.724 8.104 ( 2.591 2.700 -4.871) 6.142 8.379 ( 0.987 -6.094 8.135) 10.213 8.521 ( -14.403 -3.993 -11.118) 18.628 8.893 ( -23.388 -4.470 4.837) 24.297 9.437 ( -2.738 2.419 -2.056) 4.192 9.853 ( -0.654 1.002 1.630) 2.022 10.078 ( 10.617 0.758 2.106) 10.850 10.165 ( 3.450 3.760 -7.960) 9.456 10.389 ( 7.883 -0.930 1.078) 8.010 10.649 ( 6.785 -5.828 0.345) 8.952 10.812 ( 1.781 6.203 5.952) 8.779 11.030 ( 1.869 -2.964 -3.191) 4.739 11.645 ( 13.660 2.402 -5.802) 15.034 11.870 ( 2.991 3.884 4.701) 6.792 14.033 ( 1.454 0.853 2.174) 2.751 14.262 ( 1.164 -0.463 -1.473) 1.934 19.372 ( -1.050 0.205 -2.658) 2.865 19.501 ( 0.991 -0.662 5.174) 5.310 19.673 ( -1.515 -8.953 2.323) 9.373 20.016 ( -1.109 3.274 -3.611) 4.999 20.168 ( -5.256 -4.147 -4.962) 8.333 20.663 ( 1.312 -9.664 6.121) 11.515 21.406 ( -17.056 9.135 2.361) 19.492 21.516 ( -17.197 6.210 -4.255) 18.773 24.311 ( 16.539 0.919 0.876) 16.587 24.356 ( 16.558 2.052 -0.639) 16.697 26.394 ( -6.485 0.156 0.053) 6.487 26.435 ( -2.416 1.426 -0.381) 2.831 ======================= Grid point 89 (30/95) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 1.000 0.313 0.355) 1.107 1.435 ( 1.725 -1.526 -3.678) 4.340 1.516 ( -0.419 -2.665 -0.081) 2.699 1.668 ( -3.193 3.183 0.808) 4.580 1.836 ( 6.657 -10.537 1.188) 12.520 1.958 ( 0.672 0.355 1.069) 1.312 2.056 ( 2.244 -1.926 -1.007) 3.124 2.169 ( -2.362 1.644 1.367) 3.186 2.270 ( -0.152 2.219 -1.703) 2.801 2.313 ( -5.521 0.643 -2.912) 6.275 2.360 ( 2.205 0.601 -0.409) 2.322 2.420 ( 0.737 3.196 3.720) 4.959 2.525 ( 0.230 -2.333 1.726) 2.911 2.638 ( -1.207 -4.005 -2.110) 4.685 2.718 ( 0.547 0.116 0.549) 0.784 2.924 ( -1.216 3.534 6.984) 7.921 2.965 ( 3.802 -8.725 2.923) 9.956 3.055 ( 0.168 0.647 -0.299) 0.733 3.084 ( 0.744 4.694 -0.803) 4.820 3.163 ( 1.547 2.142 -1.748) 3.168 3.313 ( 2.745 -5.128 -1.261) 5.952 3.370 ( 4.691 1.628 -1.033) 5.072 3.432 ( -0.285 -2.413 -1.437) 2.823 3.619 ( -8.502 4.727 0.544) 9.743 4.104 ( 3.538 2.295 -1.228) 4.392 4.136 ( -2.507 1.554 0.872) 3.076 4.271 ( 0.144 1.408 -3.914) 4.162 4.376 ( 0.539 -1.931 -2.398) 3.126 4.548 ( 2.710 -1.834 0.090) 3.274 4.668 ( 1.285 -0.332 2.929) 3.216 4.705 ( 2.487 -1.070 -1.169) 2.949 4.811 ( -0.645 0.549 -2.182) 2.340 5.461 ( -2.579 1.612 7.891) 8.457 5.666 ( 5.294 2.656 -4.446) 7.406 5.876 ( 1.810 -0.053 -3.732) 4.148 6.051 ( -1.122 -1.013 -0.331) 1.547 6.886 ( 9.459 -1.903 5.345) 11.030 7.003 ( 18.082 0.870 -0.960) 18.129 7.210 ( -2.392 -3.648 3.059) 5.328 7.236 ( 4.177 5.457 -0.914) 6.933 7.501 ( -0.330 0.866 -2.405) 2.578 7.592 ( -3.616 1.186 -1.356) 4.040 7.753 ( 6.599 1.138 6.738) 9.500 7.930 ( 6.063 1.012 -0.109) 6.147 8.085 ( -0.493 0.338 -4.876) 4.912 8.209 ( -8.453 1.179 1.073) 8.602 8.448 ( -24.752 -1.972 6.835) 25.754 8.631 ( 7.047 -2.513 -11.342) 13.587 9.422 ( 1.456 -0.524 -1.066) 1.879 9.815 ( -3.869 -1.911 4.027) 5.902 10.108 ( -0.390 -0.623 6.493) 6.534 10.310 ( 5.595 -1.031 -4.099) 7.012 10.480 ( 5.849 6.606 2.127) 9.076 10.777 ( 3.482 5.434 -2.064) 6.775 10.808 ( 2.147 -2.768 -2.292) 4.186 11.075 ( -1.529 -5.091 -1.613) 5.555 11.820 ( 6.928 1.306 -2.309) 7.418 11.853 ( -1.585 1.040 3.232) 3.747 14.059 ( 2.312 1.375 3.646) 4.531 14.270 ( -0.988 -0.928 -2.721) 3.040 19.344 ( -1.332 0.302 -2.901) 3.207 19.528 ( 1.023 0.071 6.842) 6.918 19.739 ( -0.033 -7.401 -0.706) 7.434 19.972 ( 0.949 5.256 -1.866) 5.657 20.145 ( -1.510 -3.098 -3.909) 5.211 20.787 ( -0.111 -4.988 8.448) 9.812 21.104 ( -5.776 3.392 -4.840) 8.264 21.219 ( -8.030 4.410 -1.322) 9.256 24.519 ( 6.318 -0.451 0.138) 6.335 24.548 ( 6.093 1.603 0.033) 6.300 26.300 ( -3.575 -0.772 -0.114) 3.660 26.389 ( -0.634 1.509 0.109) 1.641 ======================= Grid point 90 (31/95) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -0.662 -0.270 0.433) 0.836 1.444 ( -1.582 -1.357 -5.102) 5.512 1.549 ( -3.591 2.237 1.688) 4.555 1.577 ( 2.928 0.109 0.785) 3.033 1.898 ( -8.954 6.248 2.011) 11.102 1.995 ( 0.263 -3.458 -2.849) 4.488 2.059 ( 3.138 -0.257 0.942) 3.286 2.117 ( 0.585 1.884 2.317) 3.043 2.275 ( -1.273 2.045 2.795) 3.690 2.283 ( 2.550 -0.777 -3.343) 4.275 2.309 ( -1.893 0.401 -4.146) 4.575 2.435 ( 1.708 0.014 3.640) 4.021 2.555 ( -1.997 -2.327 -3.297) 4.502 2.621 ( -0.388 1.859 3.448) 3.936 2.740 ( 2.372 -1.874 -0.450) 3.056 2.869 ( 0.555 6.821 7.763) 10.349 3.015 ( -2.444 -0.388 -2.018) 3.193 3.073 ( 0.087 -3.506 1.726) 3.909 3.093 ( 0.487 1.866 0.951) 2.150 3.192 ( 0.777 -1.371 -1.189) 1.974 3.332 ( -3.615 3.569 0.152) 5.083 3.390 ( -4.797 -0.889 0.014) 4.879 3.423 ( -0.831 -2.024 -4.772) 5.250 3.531 ( 4.406 -1.444 1.094) 4.764 4.106 ( 1.712 -1.030 -0.826) 2.162 4.177 ( 5.084 1.767 0.145) 5.384 4.227 ( -2.860 1.406 -2.701) 4.177 4.392 ( -0.406 -2.174 -2.571) 3.391 4.594 ( -0.574 -2.141 -0.388) 2.250 4.650 ( -3.784 1.851 2.214) 4.759 4.735 ( -0.439 0.710 -1.594) 1.799 4.781 ( -0.316 -0.285 -1.035) 1.119 5.420 ( -1.595 0.010 5.691) 5.911 5.720 ( 1.204 -1.572 -2.238) 2.989 5.899 ( 0.155 -1.601 -4.201) 4.499 6.015 ( -3.619 -0.773 0.037) 3.701 6.902 ( -13.034 -2.887 5.408) 14.404 7.036 ( -18.834 -0.947 0.510) 18.865 7.071 ( -2.736 -0.896 -0.110) 2.881 7.287 ( 2.679 6.399 0.694) 6.971 7.535 ( 6.372 -1.838 -1.631) 6.829 7.564 ( -3.697 -2.966 -2.455) 5.338 7.861 ( 2.545 1.310 7.812) 8.319 7.888 ( -8.774 -1.150 1.938) 9.059 8.088 ( -10.926 1.576 -4.082) 11.770 8.175 ( 3.698 1.028 -1.264) 4.041 8.264 ( 21.201 0.073 -0.817) 21.216 8.805 ( 10.812 0.723 -4.730) 11.824 9.465 ( 1.850 -2.358 -2.140) 3.683 9.763 ( -4.730 -3.300 4.564) 7.355 10.099 ( -3.722 -2.003 -0.495) 4.256 10.294 ( -7.338 0.010 10.800) 13.057 10.511 ( 5.932 8.494 -4.086) 11.137 10.743 ( -0.255 6.201 -3.123) 6.948 10.861 ( -0.004 -3.859 -5.899) 7.050 11.052 ( -6.003 -4.328 1.865) 7.632 11.766 ( -7.414 -2.676 -0.358) 7.890 11.902 ( 0.709 -1.149 1.147) 1.771 14.089 ( 2.188 1.591 4.770) 5.484 14.244 ( -2.693 -1.316 -3.850) 4.879 19.327 ( -0.005 0.130 -2.200) 2.203 19.537 ( 0.448 1.423 5.405) 5.607 19.792 ( -0.669 -3.300 1.115) 3.547 19.958 ( 4.019 6.012 -2.049) 7.516 20.138 ( -0.850 0.657 -5.682) 5.783 20.676 ( -6.087 6.323 7.426) 11.497 21.112 ( 5.101 -0.573 -2.629) 5.768 21.295 ( 12.639 -8.720 -1.640) 15.443 24.533 ( -6.951 -0.064 0.435) 6.965 24.537 ( -5.213 -1.397 -0.264) 5.404 26.291 ( 1.399 -1.253 -0.094) 1.880 26.398 ( 2.941 0.820 0.090) 3.054 ======================= Grid point 91 (32/95) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -8.783 1.435 -2.294) 9.191 1.378 ( -8.923 7.531 3.078) 12.076 1.463 ( 3.062 -1.235 -0.801) 3.398 1.639 ( -6.544 6.146 -2.291) 9.265 1.678 ( 2.590 0.084 0.009) 2.591 2.006 ( -2.221 3.194 1.666) 4.232 2.019 ( -3.896 2.309 -6.031) 7.542 2.121 ( 1.154 5.897 4.099) 7.274 2.188 ( 1.235 0.226 2.501) 2.799 2.330 ( -0.905 0.354 3.417) 3.552 2.395 ( 1.881 -4.726 -1.694) 5.361 2.459 ( -4.703 -1.371 -1.154) 5.033 2.506 ( 2.552 0.439 0.177) 2.596 2.630 ( 4.415 1.874 4.178) 6.361 2.725 ( -7.057 5.466 4.062) 9.807 2.864 ( 2.093 -3.034 3.882) 5.353 2.949 ( -2.882 0.805 -3.509) 4.612 3.000 ( -7.443 6.653 -1.700) 10.127 3.094 ( 0.107 -1.952 -0.340) 1.985 3.147 ( 1.673 5.699 -6.368) 8.708 3.276 ( -3.680 -2.319 -1.972) 4.776 3.319 ( -0.638 -2.390 -0.276) 2.489 3.492 ( 1.901 -6.576 -2.424) 7.261 3.634 ( 3.699 -3.537 1.724) 5.400 4.125 ( -6.145 -0.641 3.555) 7.128 4.191 ( 4.848 -0.677 -1.144) 5.027 4.287 ( 6.247 0.970 -2.229) 6.703 4.390 ( -1.824 -1.782 -3.576) 4.392 4.534 ( -6.752 -0.779 2.876) 7.380 4.562 ( -3.338 0.381 0.446) 3.389 4.654 ( -4.602 0.375 -2.579) 5.289 4.852 ( 6.629 0.738 -0.887) 6.729 5.376 ( -4.549 0.361 2.832) 5.371 5.745 ( -2.306 -5.382 1.040) 5.947 5.897 ( -4.741 -1.693 -3.988) 6.422 5.928 ( -3.921 0.012 -0.395) 3.940 6.546 ( -24.532 2.159 -0.031) 24.627 6.713 ( -16.080 -2.942 -0.555) 16.356 7.015 ( -9.906 -3.008 4.313) 11.215 7.101 ( -14.206 1.276 4.927) 15.090 7.458 ( -4.822 -4.416 -2.835) 7.126 7.675 ( 2.510 -1.194 -0.014) 2.779 7.833 ( 2.489 -1.284 5.767) 6.411 7.894 ( -2.294 -1.618 2.466) 3.737 7.953 ( -3.736 2.487 -7.533) 8.769 8.266 ( 7.710 1.882 1.502) 8.077 8.663 ( 20.537 1.939 -5.354) 21.312 8.979 ( 10.966 3.912 4.338) 12.425 9.560 ( 5.736 -3.932 -3.452) 7.764 9.702 ( -5.149 -1.684 0.826) 5.480 9.966 ( -9.893 1.164 -3.746) 10.642 10.146 ( -8.520 -1.208 4.985) 9.945 10.525 ( 0.388 2.215 -2.392) 3.283 10.634 ( -3.936 7.425 1.630) 8.560 10.893 ( -0.146 -4.390 -5.821) 7.292 10.952 ( -8.892 -3.386 5.898) 11.195 11.633 ( -10.635 -4.531 -5.553) 12.825 11.871 ( -6.220 -2.688 4.336) 8.045 14.107 ( 0.775 1.048 4.745) 4.921 14.200 ( -2.762 -0.746 -4.065) 4.971 19.341 ( 1.478 -0.158 -1.327) 1.992 19.525 ( 0.233 2.895 2.956) 4.144 19.755 ( -3.640 2.296 5.716) 7.155 20.014 ( 7.852 5.355 -2.814) 9.912 20.101 ( 0.227 4.007 -9.624) 10.427 20.560 ( -0.221 5.759 7.267) 9.275 21.333 ( 15.187 -5.517 0.196) 16.159 21.679 ( 19.073 -10.037 -1.867) 21.633 24.313 ( -17.873 -2.031 0.758) 18.004 24.367 ( -14.760 -1.481 -0.528) 14.843 26.358 ( 4.208 -0.982 -0.062) 4.322 26.477 ( 5.697 -0.515 -0.274) 5.726 ======================= Grid point 92 (33/95) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -14.118 4.673 3.515) 15.281 1.061 ( -14.832 12.312 8.995) 21.272 1.469 ( -4.302 2.966 -7.198) 8.895 1.608 ( 3.916 0.217 2.057) 4.428 1.649 ( -3.796 4.044 -8.866) 10.458 1.816 ( -10.589 10.246 1.280) 14.790 1.968 ( -1.238 7.959 11.249) 13.836 2.108 ( -2.755 -2.179 -1.494) 3.817 2.149 ( -8.679 3.224 7.995) 12.232 2.208 ( -0.905 -0.850 1.249) 1.761 2.381 ( -3.656 0.072 -1.486) 3.947 2.396 ( -3.562 0.339 -0.388) 3.599 2.534 ( 1.632 -0.570 0.451) 1.787 2.640 ( -1.605 0.414 10.463) 10.594 2.740 ( 5.044 0.469 -1.598) 5.312 2.804 ( -0.811 4.271 -13.526) 14.208 2.860 ( 1.351 -0.932 -3.746) 4.090 3.006 ( 3.282 -3.972 -5.090) 7.243 3.125 ( 0.355 -1.480 -1.230) 1.957 3.183 ( 4.398 1.836 -1.657) 5.046 3.239 ( 1.211 -0.894 -4.481) 4.727 3.372 ( 1.013 -4.131 0.144) 4.256 3.584 ( 0.696 -7.695 1.237) 7.825 3.731 ( 3.849 -2.163 -2.197) 4.931 4.026 ( -6.165 -1.710 6.695) 9.261 4.185 ( -6.293 1.148 -1.308) 6.529 4.285 ( -6.315 -0.919 -2.137) 6.730 4.389 ( -1.155 -2.066 -4.631) 5.200 4.487 ( 1.308 0.545 9.168) 9.277 4.580 ( 7.259 -0.322 -3.893) 8.244 4.608 ( 1.022 0.359 -1.125) 1.562 4.996 ( 9.673 -0.990 -1.411) 9.826 5.234 ( -10.078 1.268 1.180) 10.225 5.623 ( -14.251 -1.087 -5.548) 15.331 5.816 ( -4.139 -1.352 3.309) 5.469 5.890 ( -4.512 1.200 -1.139) 4.805 6.078 ( -20.612 -0.354 2.446) 20.760 6.471 ( -18.630 -2.922 -1.898) 18.953 6.728 ( -13.448 2.007 8.530) 16.051 6.958 ( -7.525 -5.996 5.218) 10.945 7.524 ( 7.512 -1.756 -8.956) 11.820 7.677 ( -1.676 0.636 1.035) 2.070 7.774 ( -10.077 -0.422 -1.152) 10.151 7.829 ( -5.186 -1.758 4.971) 7.395 7.967 ( 1.160 -6.653 0.543) 6.776 8.342 ( 3.620 7.974 6.497) 10.904 8.914 ( 10.079 2.338 -8.364) 13.304 9.137 ( 10.987 6.234 0.251) 12.635 9.643 ( 0.319 -0.459 -2.785) 2.841 9.651 ( -2.423 -2.523 4.320) 5.559 9.889 ( 5.233 -1.102 -6.898) 8.728 10.014 ( -9.661 -5.376 -0.718) 11.079 10.384 ( -7.533 10.550 -5.045) 13.911 10.561 ( -3.778 -3.889 5.340) 7.610 10.796 ( -9.987 -0.393 1.726) 10.143 10.956 ( 1.111 -6.514 3.650) 7.549 11.480 ( -9.255 -3.394 -10.225) 14.203 11.738 ( -11.395 -2.879 7.048) 13.704 14.101 ( -1.006 -0.026 3.265) 3.417 14.159 ( -1.304 1.223 -3.130) 3.605 19.371 ( 1.432 -0.287 -1.127) 1.845 19.493 ( -0.347 4.107 -0.082) 4.123 19.666 ( -2.445 3.336 10.221) 11.026 20.074 ( 1.320 3.086 -7.702) 8.402 20.117 ( 10.495 8.756 -4.066) 14.260 20.568 ( 4.972 3.115 6.502) 8.758 21.710 ( 17.850 -8.179 2.218) 19.760 22.148 ( 22.025 -9.763 -2.866) 24.261 23.954 ( -23.851 -3.281 0.790) 24.088 24.047 ( -21.335 -0.544 -0.908) 21.361 26.448 ( 5.252 -0.093 -1.501) 5.463 26.601 ( 5.893 -2.944 0.376) 6.598 ======================= Grid point 93 (34/95) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -11.440 4.031 17.507) 21.299 0.668 ( -16.068 10.032 14.629) 23.934 1.218 ( -23.635 11.236 19.040) 32.363 1.367 ( -11.773 3.570 -9.661) 15.643 1.413 ( -9.540 7.720 -14.234) 18.794 1.759 ( 4.783 0.662 5.686) 7.460 1.934 ( 3.459 3.844 5.373) 7.457 2.048 ( -3.228 1.281 8.466) 9.151 2.101 ( -1.273 -4.501 -4.736) 6.656 2.207 ( -0.374 -1.632 -0.462) 1.736 2.254 ( -4.291 3.361 0.389) 5.464 2.424 ( 3.234 -1.310 1.129) 3.667 2.551 ( 1.040 2.291 12.598) 12.846 2.663 ( 3.493 -1.042 -3.622) 5.139 2.751 ( 3.256 -0.064 -17.651) 17.949 2.852 ( 2.072 0.619 -8.891) 9.150 2.986 ( 7.372 -3.803 0.722) 8.327 3.079 ( 1.395 -2.987 -4.482) 5.563 3.122 ( 0.370 0.493 -2.727) 2.796 3.257 ( 3.316 0.069 0.387) 3.339 3.312 ( 3.845 -1.230 -3.973) 5.664 3.398 ( -1.880 -2.944 -1.359) 3.748 3.666 ( 0.620 -5.729 1.360) 5.921 3.810 ( 3.484 -1.509 -1.499) 4.082 3.939 ( -6.074 -1.436 6.886) 9.293 3.992 ( -13.381 -0.610 -3.642) 13.881 4.170 ( -4.931 5.390 -4.180) 8.417 4.316 ( -7.405 -0.322 -3.040) 8.011 4.534 ( 5.642 0.361 6.449) 8.576 4.648 ( 0.871 -0.789 0.724) 1.381 4.810 ( 11.859 -7.231 -2.428) 14.100 5.048 ( -2.622 6.805 0.309) 7.299 5.219 ( 7.193 -2.963 0.160) 7.781 5.382 ( -11.243 -0.964 -5.464) 12.537 5.567 ( -8.995 -0.046 4.510) 10.063 5.819 ( -1.171 3.349 -8.361) 9.082 5.940 ( -4.421 -2.328 7.099) 8.681 6.047 ( -24.711 0.788 9.409) 26.454 6.593 ( -2.577 2.761 4.450) 5.837 6.912 ( -4.360 -5.181 2.195) 7.118 7.518 ( -11.285 1.230 1.888) 11.507 7.575 ( -4.326 1.133 -3.057) 5.417 7.775 ( 5.146 -3.639 3.187) 7.062 7.832 ( 8.351 1.617 -1.951) 8.727 7.989 ( -7.120 -7.079 1.099) 10.100 8.250 ( -3.248 9.567 0.359) 10.110 8.969 ( 0.645 2.595 -3.503) 4.407 9.295 ( 10.702 1.430 -5.571) 12.150 9.626 ( 0.424 -1.176 3.634) 3.843 9.736 ( 2.046 -5.710 -3.726) 7.119 9.863 ( -8.555 -3.460 -1.009) 9.283 10.062 ( 8.098 2.590 -6.589) 10.756 10.143 ( -6.477 6.945 3.710) 10.196 10.508 ( -10.707 -9.035 -1.194) 14.060 10.631 ( -3.846 3.769 2.707) 6.027 11.017 ( -2.516 -3.787 -3.508) 5.742 11.408 ( 0.860 -2.644 -5.260) 5.950 11.542 ( -12.373 -1.386 8.437) 15.040 14.081 ( -1.518 -0.092 2.475) 2.905 14.125 ( -0.085 3.071 -3.111) 4.372 19.390 ( 0.568 -0.063 -0.780) 0.967 19.438 ( -1.135 3.122 -1.355) 3.587 19.642 ( 1.514 1.242 13.132) 13.277 20.088 ( 3.076 0.692 -7.563) 8.194 20.237 ( 15.268 11.319 3.693) 19.362 20.652 ( 4.318 0.946 4.831) 6.548 22.083 ( 13.665 -7.382 4.977) 16.309 22.617 ( 18.328 -9.070 -8.301) 22.070 23.557 ( -22.610 -4.060 0.016) 22.972 23.625 ( -23.564 1.880 -2.480) 23.769 26.548 ( 5.809 0.023 -2.425) 6.295 26.723 ( 1.453 -5.861 -1.239) 6.165 ======================= Grid point 95 (35/95) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 15.188 0.000 9.010) 17.659 1.052 ( 14.752 0.000 12.996) 19.660 1.341 ( -1.037 -0.000 -9.422) 9.479 1.454 ( 4.478 0.000 -2.182) 4.981 1.619 ( 18.733 0.000 0.074) 18.733 1.861 ( 4.799 0.000 3.481) 5.929 1.930 ( 8.322 0.000 1.984) 8.555 2.097 ( 4.159 0.000 6.735) 7.916 2.161 ( -2.338 -0.000 0.157) 2.344 2.223 ( 3.270 0.000 -0.681) 3.340 2.275 ( 5.675 0.000 -4.348) 7.149 2.460 ( 2.924 0.000 2.691) 3.974 2.482 ( 2.484 0.000 3.740) 4.490 2.554 ( -3.040 -0.000 2.322) 3.825 2.738 ( -5.484 -0.000 -8.592) 10.193 2.777 ( -11.232 -0.000 -0.191) 11.233 3.003 ( -1.044 -0.000 3.467) 3.620 3.008 ( 5.216 0.000 -12.145) 13.217 3.192 ( 2.742 0.000 -8.607) 9.033 3.196 ( -4.497 -0.000 0.843) 4.575 3.348 ( -0.348 -0.000 -6.916) 6.925 3.366 ( -2.769 -0.000 1.409) 3.107 3.556 ( -7.150 -0.000 3.465) 7.946 3.785 ( 3.715 0.000 -2.049) 4.242 4.077 ( 2.114 0.000 8.827) 9.076 4.230 ( 5.445 0.000 -3.354) 6.395 4.268 ( 3.259 0.000 -0.988) 3.405 4.285 ( 3.051 0.000 -6.496) 7.177 4.434 ( -7.350 -0.000 10.588) 12.889 4.503 ( -0.837 -0.000 -3.538) 3.635 4.773 ( -8.654 -0.000 1.934) 8.867 4.905 ( 1.546 0.000 -7.540) 7.697 5.382 ( 11.646 0.000 7.816) 14.025 5.574 ( 12.214 0.000 -12.812) 17.701 5.612 ( 8.124 0.000 -1.205) 8.213 5.852 ( 8.611 0.000 7.191) 11.219 6.387 ( 6.321 0.000 -8.282) 10.418 6.389 ( 9.938 0.000 10.823) 14.694 6.961 ( 3.480 0.000 1.238) 3.693 7.011 ( 21.958 0.000 13.057) 25.547 7.445 ( 9.439 0.000 -5.967) 11.167 7.557 ( -1.112 -0.000 -4.143) 4.290 7.836 ( 12.583 0.000 -0.730) 12.605 7.900 ( -8.335 -0.000 6.299) 10.447 8.093 ( -3.928 -0.000 3.324) 5.146 8.143 ( 5.927 0.000 1.504) 6.115 8.841 ( -23.663 -0.000 -7.413) 24.797 9.135 ( -12.224 -0.000 0.498) 12.234 9.588 ( -4.814 -0.000 0.447) 4.835 9.852 ( 13.870 0.000 -10.573) 17.440 9.906 ( 1.662 0.000 3.302) 3.697 10.111 ( 18.561 0.000 -6.935) 19.814 10.292 ( -4.736 -0.000 -4.507) 6.538 10.383 ( 2.737 0.000 5.622) 6.253 10.920 ( -1.542 -0.000 18.634) 18.698 10.938 ( 4.527 0.000 -8.050) 9.235 11.417 ( 15.365 0.000 -9.125) 17.870 11.849 ( 6.970 0.000 3.915) 7.994 14.032 ( 0.491 0.000 1.389) 1.473 14.212 ( 2.959 0.000 -0.615) 3.022 19.393 ( 2.077 0.000 -0.794) 2.223 19.434 ( -0.100 -0.000 -1.898) 1.901 19.584 ( -3.585 -0.000 9.453) 10.110 20.094 ( -1.337 -0.000 -7.364) 7.485 20.238 ( -9.252 -0.000 -7.073) 11.646 20.525 ( -6.348 -0.000 13.329) 14.764 21.915 ( -18.507 -0.000 8.979) 20.570 21.964 ( -21.820 -0.000 -10.139) 24.060 23.970 ( 23.025 0.000 -1.110) 23.052 24.022 ( 23.729 0.000 0.911) 23.747 26.484 ( 0.114 0.000 -4.474) 4.475 26.534 ( -7.443 -0.000 2.848) 7.969 ======================= Grid point 96 (36/95) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 10.149 -9.641 2.003) 14.141 1.282 ( 7.501 -2.206 4.018) 8.790 1.356 ( 7.219 5.413 -1.177) 9.100 1.515 ( 2.452 -4.971 -2.533) 6.094 1.875 ( -1.996 5.821 3.281) 6.974 1.900 ( 9.892 -3.334 -7.430) 12.813 1.979 ( -3.266 -4.321 7.390) 9.162 2.110 ( -0.627 0.753 4.618) 4.721 2.235 ( 6.813 -3.905 2.495) 8.239 2.291 ( 4.385 -0.345 -1.918) 4.798 2.370 ( 2.761 1.553 -4.357) 5.387 2.469 ( -1.150 2.046 -0.535) 2.407 2.507 ( -2.548 0.814 -1.843) 3.249 2.579 ( -0.636 -0.885 3.287) 3.463 2.678 ( 7.271 -4.840 2.359) 9.048 2.713 ( 1.253 1.211 -1.988) 2.644 3.017 ( 0.942 0.941 5.946) 6.093 3.068 ( -4.265 0.872 -0.971) 4.461 3.103 ( 1.065 -1.771 -7.213) 7.503 3.201 ( -1.417 1.290 -4.892) 5.254 3.324 ( 1.646 1.733 -4.455) 5.056 3.341 ( 0.321 1.106 -2.424) 2.684 3.439 ( -4.071 1.945 4.173) 6.146 3.852 ( 1.464 2.115 -2.266) 3.428 4.070 ( 0.038 0.964 5.060) 5.151 4.233 ( -4.466 -0.154 1.219) 4.632 4.276 ( 3.079 0.892 -3.140) 4.487 4.334 ( 1.892 -0.148 -4.640) 5.013 4.463 ( 4.819 0.872 3.718) 6.149 4.569 ( 5.067 -2.388 -3.998) 6.882 4.646 ( -4.100 -1.177 4.170) 5.965 4.871 ( -2.780 0.944 -5.759) 6.464 5.503 ( 2.683 -0.099 9.494) 9.866 5.696 ( 4.754 3.401 -8.641) 10.432 5.824 ( 7.726 1.137 0.591) 7.832 5.941 ( 1.083 -4.513 1.457) 4.864 6.601 ( 19.360 2.376 -3.207) 19.767 6.665 ( 18.245 -0.730 3.545) 18.600 7.025 ( 2.648 -3.073 2.452) 4.740 7.276 ( 10.148 3.592 6.278) 12.462 7.566 ( 1.918 -0.777 -2.748) 3.440 7.635 ( 7.028 3.534 -2.794) 8.348 7.743 ( -7.581 -0.645 7.091) 10.400 7.974 ( 4.651 8.594 1.682) 9.915 8.128 ( 2.279 -2.534 -5.445) 6.424 8.231 ( 5.169 -6.604 3.539) 9.102 8.474 ( -14.169 -0.996 -7.533) 16.078 8.826 ( -22.920 -2.183 4.858) 23.530 9.497 ( -2.806 2.462 -3.699) 5.255 9.884 ( -3.028 1.604 7.429) 8.181 10.073 ( 7.860 -0.962 -0.723) 7.951 10.246 ( 3.822 4.149 -12.040) 13.296 10.398 ( 10.097 2.008 -3.527) 10.882 10.500 ( 8.648 -8.034 1.248) 11.870 10.896 ( -0.011 2.387 15.907) 16.085 10.998 ( 1.396 -0.774 -7.202) 7.377 11.678 ( 13.129 0.929 -6.074) 14.495 11.921 ( 1.106 1.378 3.602) 4.012 14.051 ( 1.951 0.726 2.861) 3.538 14.252 ( 1.015 -0.433 -1.854) 2.157 19.397 ( -0.703 2.221 -2.679) 3.550 19.474 ( 2.881 -2.584 0.496) 3.902 19.551 ( -1.428 -3.085 6.135) 7.014 20.082 ( 0.853 1.301 -2.260) 2.743 20.128 ( -2.048 1.150 -7.647) 7.999 20.495 ( -1.069 -6.482 9.933) 11.909 21.544 ( -18.790 5.024 -0.756) 19.464 21.585 ( -18.715 0.844 -2.138) 18.855 24.312 ( 14.745 -0.160 -0.628) 14.760 24.393 ( 16.988 1.231 1.055) 17.065 26.393 ( -7.645 -0.123 1.732) 7.840 26.460 ( -1.933 0.844 -2.489) 3.263 ======================= Grid point 97 (37/95) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 4.689 0.324 1.298) 4.876 1.420 ( 3.746 -4.336 -5.374) 7.856 1.445 ( 4.574 0.152 1.192) 4.729 1.642 ( 5.803 -3.999 1.606) 7.228 1.756 ( -5.229 2.035 2.567) 6.170 1.945 ( -1.100 -1.749 4.832) 5.256 2.041 ( 4.366 0.239 -3.218) 5.429 2.150 ( 2.345 -2.414 5.732) 6.647 2.302 ( -4.314 -1.826 -3.831) 6.052 2.335 ( 2.757 1.355 -3.806) 4.892 2.394 ( 0.751 2.545 2.252) 3.481 2.436 ( 4.312 -0.099 0.660) 4.364 2.527 ( -1.213 -1.284 0.748) 1.918 2.567 ( 0.578 1.500 0.514) 1.688 2.726 ( -0.180 1.122 -4.077) 4.232 2.809 ( 1.888 -3.803 4.161) 5.944 2.954 ( -1.629 -2.979 -1.326) 3.645 3.031 ( -5.680 -1.706 -1.828) 6.206 3.164 ( 4.442 1.353 1.077) 4.767 3.195 ( 3.045 -0.341 1.142) 3.270 3.321 ( 2.486 5.479 -2.042) 6.354 3.378 ( 3.316 0.150 -2.005) 3.878 3.421 ( 3.637 0.716 0.770) 3.786 3.731 ( -8.005 6.430 1.978) 10.456 4.104 ( -1.905 -0.392 -1.838) 2.677 4.158 ( -0.608 -0.757 -0.396) 1.049 4.322 ( 2.678 3.396 -4.970) 6.588 4.345 ( -0.354 -1.113 -0.419) 1.241 4.517 ( 2.019 -1.658 3.279) 4.193 4.649 ( 3.332 -1.532 1.476) 3.953 4.695 ( 4.129 0.016 -1.746) 4.483 4.817 ( -2.311 0.107 -3.569) 4.253 5.495 ( -2.834 1.857 8.585) 9.229 5.711 ( 0.709 1.749 -5.909) 6.203 5.848 ( -1.571 -1.624 -1.743) 2.854 5.993 ( -2.187 -4.720 0.648) 5.242 6.869 ( 6.230 0.282 3.668) 7.235 7.008 ( 17.430 -0.621 -1.139) 17.478 7.142 ( 3.747 -2.732 0.868) 4.718 7.335 ( 0.549 4.317 1.473) 4.595 7.527 ( -2.234 1.606 -0.922) 2.902 7.615 ( -6.294 0.944 -0.055) 6.365 7.757 ( 9.647 -0.667 4.585) 10.703 7.989 ( 4.539 4.958 0.278) 6.728 8.093 ( -1.501 0.329 -6.862) 7.032 8.227 ( -7.602 0.316 4.938) 9.071 8.395 ( -25.774 -3.465 7.488) 27.062 8.559 ( 12.813 -4.112 -12.714) 18.513 9.458 ( 1.502 3.264 -3.664) 5.132 9.798 ( -5.343 -0.211 8.609) 10.135 10.110 ( -1.321 0.392 6.221) 6.372 10.312 ( 3.129 2.404 -3.055) 4.990 10.540 ( 8.295 -2.122 -11.065) 13.991 10.717 ( 6.060 -3.233 -1.007) 6.942 10.880 ( 0.475 4.261 10.073) 10.948 11.004 ( -1.901 -2.841 -5.027) 6.079 11.843 ( 5.880 1.064 -2.644) 6.534 11.864 ( -6.145 0.152 2.594) 6.672 14.089 ( 3.075 1.546 4.446) 5.622 14.251 ( -1.586 -0.883 -3.409) 3.862 19.355 ( -1.714 0.763 -3.100) 3.623 19.529 ( 2.034 0.084 7.709) 7.973 19.621 ( 3.997 -4.661 -2.408) 6.595 20.092 ( 0.945 -0.871 0.182) 1.298 20.115 ( 4.752 8.008 -4.699) 10.431 20.615 ( 3.857 -11.172 6.851) 13.661 21.200 ( -12.500 5.217 -4.595) 14.303 21.285 ( -11.992 2.093 -0.091) 12.173 24.495 ( 4.459 -1.258 -1.054) 4.751 24.587 ( 5.482 1.743 1.353) 5.910 26.286 ( -4.036 -0.646 0.291) 4.097 26.415 ( -1.355 1.055 -0.404) 1.764 ======================= Grid point 98 (38/95) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 2.228 4.936 1.114) 5.529 1.430 ( -1.670 -0.183 -4.059) 4.393 1.543 ( 2.438 -1.757 1.228) 3.246 1.621 ( -0.255 3.543 -1.028) 3.698 1.849 ( 4.087 -8.015 3.593) 9.688 1.984 ( 1.971 -2.040 1.180) 3.072 2.082 ( -0.449 2.625 3.647) 4.516 2.134 ( -3.091 3.664 -3.289) 5.814 2.273 ( 0.630 -0.715 -6.770) 6.837 2.304 ( 1.573 3.603 -0.983) 4.052 2.386 ( -0.780 2.471 2.190) 3.393 2.467 ( -1.180 3.101 6.115) 6.957 2.523 ( 2.466 -0.947 -2.141) 3.401 2.609 ( 1.633 -3.754 1.694) 4.431 2.711 ( -0.437 -0.430 -0.804) 1.011 2.870 ( -0.476 -6.739 4.230) 7.971 2.960 ( -2.724 -1.233 0.783) 3.091 2.982 ( -1.140 -4.867 -4.497) 6.724 3.175 ( 1.635 3.916 0.385) 4.261 3.235 ( 1.699 4.039 1.256) 4.558 3.367 ( 3.638 3.812 3.165) 6.147 3.413 ( 1.870 0.991 -2.794) 3.505 3.503 ( -8.692 7.504 -1.035) 11.530 3.521 ( 6.585 1.195 -0.191) 6.696 4.061 ( -1.823 -3.099 -0.620) 3.649 4.160 ( -2.091 -3.362 0.650) 4.012 4.285 ( -1.697 3.852 -2.328) 4.810 4.380 ( 2.980 0.670 -1.815) 3.553 4.565 ( 1.108 -0.588 -0.442) 1.330 4.683 ( -3.757 1.499 -0.104) 4.046 4.735 ( -0.050 -0.707 -1.439) 1.604 4.775 ( 0.369 -0.472 0.592) 0.842 5.423 ( -2.893 0.596 5.199) 5.980 5.686 ( -3.359 -2.229 -3.242) 5.173 5.833 ( -3.472 -4.444 -2.591) 6.206 5.958 ( -5.765 -5.064 -0.493) 7.689 6.852 ( -8.879 -1.725 3.551) 9.717 7.000 ( -18.282 -2.624 0.597) 18.479 7.086 ( -4.866 1.903 -1.494) 5.434 7.392 ( -2.070 4.549 3.638) 6.182 7.515 ( 4.161 -0.829 -2.752) 5.057 7.528 ( -4.257 -0.496 -0.640) 4.334 7.876 ( -4.543 0.297 -0.100) 4.554 7.903 ( -1.653 2.486 8.812) 9.304 8.093 ( -8.097 -0.732 -5.065) 9.579 8.157 ( 0.987 -3.340 2.875) 4.516 8.290 ( 23.016 2.811 -4.137) 23.553 8.806 ( 13.127 -0.552 -5.152) 14.113 9.457 ( 0.275 1.002 -1.848) 2.120 9.729 ( -2.634 -0.157 4.570) 5.277 10.071 ( -3.571 -0.663 3.587) 5.104 10.281 ( -4.888 -0.401 6.248) 7.943 10.674 ( 4.586 6.232 -12.012) 14.288 10.735 ( -4.550 -6.140 -0.712) 7.675 10.857 ( 0.430 4.184 4.398) 6.085 10.977 ( -4.559 -3.605 -2.888) 6.490 11.706 ( -11.720 -3.528 0.919) 12.274 11.885 ( -1.188 -0.427 0.858) 1.526 14.127 ( 2.369 2.193 4.812) 5.794 14.216 ( -2.840 -1.460 -4.080) 5.181 19.330 ( -0.281 0.157 -2.380) 2.401 19.569 ( 2.666 1.716 7.372) 8.025 19.736 ( 4.522 -2.195 -3.037) 5.873 20.109 ( 3.586 7.087 4.118) 8.947 20.152 ( 5.581 3.347 -8.070) 10.367 20.743 ( -1.274 -1.225 7.482) 7.688 21.077 ( 2.183 -2.902 -5.599) 6.673 21.169 ( 2.175 -3.085 -0.250) 3.783 24.486 ( -7.597 -2.543 -1.243) 8.107 24.554 ( -7.445 0.894 1.366) 7.622 26.271 ( 1.510 -0.849 -0.546) 1.817 26.409 ( 1.659 0.349 0.631) 1.808 ======================= Grid point 99 (39/95) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -4.279 5.538 -3.389) 7.776 1.424 ( 3.348 -0.617 -0.947) 3.534 1.520 ( -1.725 5.453 2.054) 6.076 1.689 ( 4.980 1.764 -0.646) 5.323 1.812 ( -5.733 9.969 2.366) 11.741 1.940 ( -2.162 -4.277 -1.663) 5.072 2.089 ( 0.965 1.088 -4.957) 5.166 2.180 ( 4.553 -1.704 4.280) 6.477 2.261 ( -4.792 4.264 1.919) 6.695 2.285 ( -0.072 0.095 -2.909) 2.911 2.380 ( 3.403 0.641 0.271) 3.474 2.428 ( -0.257 0.058 3.004) 3.015 2.552 ( 2.654 3.115 -3.013) 5.082 2.659 ( 2.262 1.163 2.916) 3.869 2.764 ( 3.050 -4.028 0.891) 5.130 2.878 ( -5.364 3.032 6.714) 9.113 2.917 ( -4.566 -4.733 -0.852) 6.632 2.997 ( -1.786 -4.089 0.960) 4.564 3.133 ( -1.679 4.891 -0.215) 5.176 3.224 ( 0.951 3.176 0.775) 3.405 3.291 ( -4.796 2.188 -2.277) 5.742 3.341 ( -0.762 7.933 -3.201) 8.589 3.443 ( 2.179 1.649 -2.463) 3.679 3.593 ( 2.547 -0.328 -0.214) 2.577 4.099 ( -2.237 -3.551 2.648) 4.962 4.146 ( -1.255 -3.712 -0.288) 3.929 4.249 ( 0.327 -3.182 0.139) 3.202 4.398 ( -1.376 1.530 -5.209) 5.600 4.535 ( -4.439 1.503 0.078) 4.687 4.574 ( -3.278 0.774 0.404) 3.393 4.659 ( -4.168 0.090 -0.516) 4.201 4.862 ( 5.725 0.092 1.765) 5.992 5.374 ( -4.483 -0.369 1.089) 4.628 5.642 ( -4.858 -5.196 1.067) 7.193 5.808 ( -4.614 -7.189 -1.664) 8.703 5.897 ( -5.677 -3.718 -4.138) 7.948 6.587 ( -20.750 1.258 0.526) 20.794 6.661 ( -19.554 -1.589 0.176) 19.620 6.949 ( -10.975 -2.575 0.253) 11.276 7.126 ( -19.224 0.575 6.291) 20.235 7.370 ( -4.199 -4.439 -4.220) 7.426 7.667 ( 3.511 0.297 1.697) 3.911 7.837 ( 0.909 1.741 4.389) 4.808 7.881 ( -3.287 0.017 2.061) 3.880 7.992 ( -4.315 1.029 -9.174) 10.190 8.252 ( 6.679 -3.250 6.541) 9.897 8.720 ( 23.908 4.060 -7.383) 25.349 9.050 ( 15.213 3.361 3.160) 15.897 9.475 ( 1.052 -4.351 2.594) 5.174 9.704 ( 0.966 2.083 -5.553) 6.009 9.970 ( -8.914 -0.512 -1.912) 9.131 10.160 ( -8.330 1.371 6.163) 10.453 10.539 ( -9.417 0.096 3.333) 9.990 10.759 ( -3.059 1.489 1.228) 3.617 10.799 ( -1.908 -0.895 -0.999) 2.332 10.906 ( -5.701 -2.349 -6.765) 9.154 11.535 ( -11.588 -5.772 -2.605) 13.206 11.817 ( -7.897 -2.550 4.323) 9.357 14.119 ( -2.272 -0.409 0.433) 2.349 14.196 ( 0.464 0.938 -0.172) 1.060 19.340 ( 1.549 0.074 -1.351) 2.057 19.592 ( 2.499 4.093 5.093) 6.996 19.796 ( 1.454 2.039 0.130) 2.508 20.114 ( 3.411 4.996 2.971) 6.740 20.221 ( 8.968 8.369 -11.703) 16.954 20.672 ( -1.193 5.544 6.422) 8.567 21.219 ( 9.596 -6.294 1.084) 11.527 21.457 ( 16.352 -12.753 -2.677) 20.909 24.267 ( -18.938 -2.675 0.310) 19.128 24.339 ( -15.747 -1.419 -0.337) 15.814 26.341 ( 4.947 -0.682 -0.839) 5.064 26.465 ( 3.896 -0.753 0.924) 4.074 ======================= Grid point 100 (40/95) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -9.296 8.194 -0.355) 12.397 1.307 ( -10.913 13.210 7.264) 18.611 1.569 ( 8.961 0.039 0.834) 9.000 1.617 ( -1.337 9.378 -4.606) 10.533 1.781 ( 2.194 6.634 -5.232) 8.729 1.919 ( -4.320 -2.304 -1.733) 5.194 2.011 ( -1.419 4.847 -3.265) 6.013 2.193 ( 0.415 2.559 2.871) 3.868 2.225 ( -3.549 2.969 2.817) 5.417 2.306 ( -1.383 -4.572 2.766) 5.520 2.337 ( -4.219 12.220 10.280) 16.517 2.400 ( -1.806 0.677 -2.701) 3.319 2.540 ( -3.332 3.755 2.093) 5.439 2.679 ( -1.285 3.688 6.886) 7.916 2.724 ( 3.627 -1.311 -0.173) 3.861 2.833 ( 0.894 -1.087 -4.699) 4.905 2.891 ( -1.256 -4.186 -1.287) 4.556 2.974 ( -1.541 4.956 -3.767) 6.413 3.082 ( -0.345 -1.625 -1.996) 2.596 3.220 ( 1.350 -0.118 -5.117) 5.293 3.243 ( 0.280 0.690 -1.599) 1.764 3.303 ( 1.250 0.844 -0.899) 1.756 3.473 ( 1.585 -2.300 -0.526) 2.842 3.674 ( 4.372 -3.308 -1.796) 5.769 4.000 ( -6.868 -1.414 6.119) 9.307 4.170 ( -7.648 -2.958 0.200) 8.202 4.265 ( -4.241 -1.860 -4.497) 6.455 4.327 ( -0.962 -4.367 -4.109) 6.073 4.494 ( 2.206 0.504 6.196) 6.596 4.580 ( 3.061 0.241 -0.573) 3.123 4.616 ( 0.157 0.805 -0.145) 0.832 4.971 ( 5.900 -1.461 2.679) 6.642 5.239 ( -9.760 -0.833 -2.297) 10.061 5.570 ( -10.586 -4.163 -3.954) 12.042 5.775 ( -4.125 -3.678 5.440) 7.755 5.870 ( -0.873 -3.092 -6.293) 7.066 6.100 ( -26.056 2.501 2.842) 26.329 6.387 ( -18.158 -5.964 -2.002) 19.217 6.731 ( -15.256 -1.994 11.015) 18.922 6.864 ( -7.863 -2.662 -2.854) 8.778 7.455 ( 7.105 -5.087 -8.139) 11.941 7.682 ( -0.455 0.587 2.763) 2.861 7.781 ( -8.931 1.035 -0.984) 9.045 7.790 ( -6.517 -2.970 5.195) 8.848 7.906 ( -2.271 -0.469 -3.110) 3.880 8.414 ( 6.566 -0.372 10.463) 12.358 8.997 ( 12.758 6.250 -8.954) 16.793 9.263 ( 11.132 6.595 -2.044) 13.100 9.555 ( 0.784 -4.921 9.288) 10.540 9.701 ( -0.412 4.297 -7.066) 8.280 9.846 ( -0.167 -2.990 -8.034) 8.574 9.984 ( -7.740 1.744 4.049) 8.908 10.396 ( -11.128 -8.034 2.078) 13.881 10.601 ( -7.991 6.557 4.488) 11.269 10.761 ( -6.991 -2.527 5.994) 9.549 10.876 ( 2.505 -2.348 -8.722) 9.373 11.401 ( -8.480 -4.746 -7.156) 12.068 11.661 ( -13.024 -4.567 7.199) 15.566 14.083 ( -2.559 -2.033 -0.649) 3.332 14.195 ( 1.056 2.610 0.133) 2.819 19.374 ( 2.282 0.431 -0.830) 2.466 19.583 ( 0.971 5.303 1.271) 5.539 19.758 ( -0.429 6.195 6.043) 8.665 20.131 ( 2.522 3.858 -1.792) 4.945 20.324 ( 13.516 11.246 -9.462) 19.967 20.643 ( 3.044 4.508 5.461) 7.708 21.522 ( 13.384 -10.984 3.643) 17.694 21.909 ( 18.437 -14.673 -3.323) 23.796 23.892 ( -24.363 -2.874 1.889) 24.604 24.026 ( -20.255 -1.762 -1.951) 20.425 26.444 ( 5.744 -0.279 -1.522) 5.949 26.549 ( 3.394 -2.290 1.591) 4.392 ======================= Grid point 101 (41/95) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -8.009 10.616 12.354) 18.151 0.935 ( -13.407 16.499 11.230) 24.043 1.452 ( -6.856 9.683 -9.196) 15.011 1.563 ( -9.789 12.779 -4.911) 16.830 1.647 ( -5.767 16.557 0.378) 17.536 1.848 ( 3.406 10.512 6.470) 12.805 1.969 ( -3.914 -3.384 3.942) 6.505 2.052 ( 2.440 4.926 1.460) 5.688 2.135 ( -2.699 6.856 3.897) 8.335 2.181 ( 0.253 -0.641 4.753) 4.803 2.327 ( -4.584 3.445 -1.457) 5.916 2.387 ( 1.508 -1.885 1.073) 2.642 2.569 ( 1.558 -0.581 1.780) 2.436 2.612 ( 0.770 -4.734 2.427) 5.376 2.793 ( -2.295 5.691 -8.108) 10.168 2.873 ( 2.516 1.289 -9.031) 9.463 2.916 ( 8.598 -2.807 0.359) 9.052 3.000 ( 1.725 -5.347 -5.071) 7.569 3.102 ( 0.443 -2.140 -1.401) 2.596 3.262 ( 0.473 -3.551 -1.776) 3.999 3.277 ( 2.872 0.692 -1.081) 3.146 3.324 ( 0.062 -2.748 -3.691) 4.602 3.551 ( 2.913 -4.787 1.897) 5.916 3.774 ( 2.883 -2.296 0.194) 3.691 3.915 ( -4.345 -1.386 6.269) 7.753 3.982 ( -11.704 -0.644 -1.252) 11.788 4.225 ( -0.503 -0.083 -5.894) 5.916 4.316 ( -5.409 0.047 -5.715) 7.868 4.548 ( 4.516 0.987 5.631) 7.286 4.598 ( -3.057 -4.405 -0.542) 5.389 4.716 ( 8.615 -2.377 2.363) 9.244 5.107 ( -3.342 -3.868 1.095) 5.227 5.137 ( 7.167 -2.908 -0.640) 7.761 5.375 ( -9.845 1.124 -3.563) 10.530 5.584 ( -14.284 1.763 4.790) 15.168 5.826 ( -8.983 -3.227 -14.033) 16.972 5.877 ( -1.865 -3.797 7.770) 8.847 6.065 ( -16.488 0.278 13.535) 21.334 6.605 ( -2.766 -3.931 2.379) 5.363 6.807 ( -2.164 -3.018 -5.638) 6.752 7.521 ( -14.111 -0.639 0.967) 14.158 7.584 ( -3.644 -1.727 -2.963) 5.004 7.712 ( 6.691 -1.845 3.568) 7.804 7.819 ( 4.165 -5.536 1.096) 7.014 7.883 ( -0.387 -1.201 -1.188) 1.733 8.435 ( -2.159 7.792 3.802) 8.935 9.045 ( -1.224 4.818 -4.181) 6.496 9.338 ( 7.379 2.939 -7.110) 10.660 9.592 ( -0.203 -2.006 3.527) 4.062 9.676 ( -3.063 1.339 2.320) 4.069 9.802 ( -2.947 -3.112 1.258) 4.467 10.063 ( 11.062 -1.001 0.961) 11.149 10.261 ( -11.074 -4.006 -6.357) 13.382 10.389 ( -7.755 4.400 2.775) 9.338 10.669 ( -3.354 0.332 5.434) 6.395 10.971 ( 4.154 -0.482 -4.572) 6.196 11.329 ( -2.792 -5.337 -6.548) 8.897 11.465 ( -13.781 -6.299 7.773) 17.030 14.069 ( -1.062 -1.459 0.818) 1.981 14.186 ( 0.988 2.901 -3.331) 4.526 19.405 ( 1.948 1.258 -0.799) 2.453 19.522 ( -1.831 5.392 -1.948) 6.019 19.709 ( 1.250 6.188 11.668) 13.267 20.129 ( 1.659 3.575 -4.500) 5.982 20.486 ( 17.222 11.887 -5.349) 21.599 20.684 ( 3.494 2.337 3.895) 5.730 21.868 ( 10.847 -13.561 4.963) 18.061 22.351 ( 12.274 -17.015 -5.452) 21.677 23.487 ( -22.016 -2.410 3.822) 22.475 23.663 ( -18.578 1.438 -3.342) 18.931 26.546 ( 5.073 -0.429 -1.832) 5.411 26.612 ( -0.696 -4.196 2.625) 4.998 ======================= Grid point 102 (42/95) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 4.106 12.011 18.737) 22.632 0.657 ( 1.547 16.971 17.868) 24.691 1.171 ( -3.357 26.069 23.186) 35.050 1.259 ( -0.545 8.097 -8.279) 11.593 1.437 ( 0.683 12.574 -19.623) 23.316 1.822 ( -2.858 4.322 5.154) 7.308 1.990 ( -3.188 2.361 5.252) 6.582 2.029 ( 2.381 -0.088 5.658) 6.139 2.085 ( 1.057 0.172 -0.619) 1.237 2.205 ( -0.907 2.436 3.398) 4.279 2.238 ( 0.649 1.202 -3.927) 4.158 2.443 ( 0.959 -4.097 3.387) 5.402 2.554 ( -2.209 0.791 10.203) 10.469 2.661 ( -1.601 -3.583 -5.918) 7.102 2.774 ( 1.328 -1.266 -18.984) 19.072 2.875 ( 0.468 -0.824 -5.863) 5.939 3.052 ( -0.184 -2.982 -0.713) 3.071 3.074 ( 1.192 -3.183 -0.858) 3.505 3.156 ( 4.284 -0.827 0.820) 4.440 3.258 ( -3.364 0.757 -4.045) 5.316 3.305 ( -0.907 -5.701 -1.277) 5.912 3.364 ( 1.126 -2.031 -4.633) 5.183 3.664 ( 6.496 -1.709 4.591) 8.136 3.743 ( -5.036 -2.059 4.224) 6.888 3.837 ( -5.629 0.453 1.823) 5.934 3.914 ( 4.455 0.173 0.683) 4.511 4.189 ( -2.647 2.327 -3.193) 4.756 4.218 ( 2.034 4.129 -7.091) 8.454 4.591 ( -0.663 -4.517 -0.806) 4.636 4.698 ( 11.662 -1.096 -2.476) 11.972 4.868 ( -1.728 -5.196 6.011) 8.131 4.970 ( -12.965 -2.987 2.540) 13.545 5.178 ( -2.715 8.125 4.322) 9.595 5.314 ( 0.580 2.886 -3.492) 4.567 5.604 ( -1.794 -8.451 -3.695) 9.396 5.610 ( 2.336 -5.811 -2.749) 6.840 5.877 ( -1.315 -2.186 8.129) 8.520 6.033 ( 13.349 -1.190 12.559) 18.367 6.626 ( -1.471 -1.945 -5.875) 6.361 6.819 ( 3.021 0.760 -7.022) 7.682 7.356 ( -3.336 -2.223 6.569) 7.695 7.531 ( 0.037 -0.976 -1.762) 2.014 7.731 ( -8.060 -4.999 5.771) 11.102 7.959 ( 6.338 -2.871 -6.127) 9.271 8.011 ( 7.322 1.993 -1.655) 7.767 8.223 ( -7.478 9.053 -5.598) 13.008 9.009 ( 5.679 0.730 9.441) 11.041 9.451 ( 3.099 0.105 -10.824) 11.260 9.562 ( -4.942 -4.702 7.882) 10.425 9.635 ( 1.701 2.366 1.374) 3.222 9.770 ( -5.281 -0.955 5.253) 7.509 10.027 ( -10.993 3.391 0.064) 11.505 10.265 ( 8.332 0.639 -0.083) 8.357 10.336 ( 3.111 0.137 -1.766) 3.579 10.671 ( 4.445 -0.047 1.873) 4.823 10.968 ( -1.272 2.645 -10.209) 10.623 11.295 ( -9.402 -6.011 5.149) 12.290 11.463 ( 7.876 -6.331 0.986) 10.153 14.056 ( -1.363 0.349 1.407) 1.989 14.173 ( 0.691 2.832 -6.213) 6.863 19.418 ( 0.804 2.525 -0.895) 2.797 19.442 ( -1.196 2.828 -1.231) 3.308 19.687 ( 0.129 3.124 12.244) 12.637 20.129 ( 0.929 0.877 -6.047) 6.180 20.657 ( -4.711 1.909 0.716) 5.133 20.731 ( 15.043 4.590 -4.385) 16.327 22.141 ( 4.498 -11.953 7.201) 14.662 22.537 ( -12.288 -14.713 -6.619) 20.280 23.230 ( -2.201 1.443 6.544) 7.053 23.433 ( -0.050 4.254 -3.311) 5.391 26.558 ( -8.173 -3.088 4.062) 9.635 26.632 ( 2.321 -0.392 -0.640) 2.439 ======================= Grid point 105 (43/95) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 9.826 0.000 0.894) 9.867 1.363 ( 4.293 0.000 -2.659) 5.050 1.521 ( 0.389 0.000 -0.615) 0.727 1.565 ( 9.756 0.000 6.535) 11.742 1.798 ( -6.683 -0.000 -3.120) 7.375 1.908 ( -1.949 -0.000 11.656) 11.818 2.048 ( 7.588 0.000 -6.209) 9.805 2.126 ( 3.175 0.000 5.606) 6.443 2.268 ( -6.715 -0.000 -2.752) 7.257 2.337 ( 3.968 0.000 -4.948) 6.342 2.388 ( 7.006 0.000 1.659) 7.200 2.490 ( -0.556 -0.000 1.787) 1.871 2.503 ( -1.508 -0.000 0.807) 1.710 2.594 ( 3.122 0.000 -0.936) 3.259 2.757 ( -1.258 -0.000 2.507) 2.805 2.782 ( 3.972 0.000 -6.080) 7.263 2.894 ( -5.553 -0.000 -1.104) 5.662 3.011 ( -7.810 -0.000 -5.462) 9.530 3.148 ( 8.008 0.000 8.504) 11.681 3.224 ( 1.767 0.000 -0.891) 1.979 3.347 ( 2.529 0.000 -6.384) 6.867 3.419 ( 5.269 0.000 -0.871) 5.341 3.421 ( 1.017 0.000 3.193) 3.352 3.806 ( -6.337 -0.000 2.295) 6.740 4.116 ( 1.717 0.000 -4.081) 4.428 4.125 ( -6.468 -0.000 -0.321) 6.476 4.327 ( 1.039 0.000 1.111) 1.521 4.374 ( 1.764 0.000 -4.537) 4.868 4.490 ( 2.808 0.000 5.198) 5.908 4.634 ( 4.172 0.000 -0.711) 4.233 4.695 ( 4.571 0.000 -1.129) 4.708 4.817 ( -2.950 -0.000 -4.175) 5.112 5.518 ( -2.130 -0.000 9.282) 9.523 5.721 ( -2.684 -0.000 -6.716) 7.233 5.851 ( -3.832 -0.000 -4.472) 5.889 5.921 ( -1.060 -0.000 4.815) 4.930 6.880 ( 2.901 0.000 3.089) 4.238 6.991 ( 18.492 0.000 -1.696) 18.569 7.119 ( 6.730 0.000 0.689) 6.766 7.379 ( -1.967 -0.000 1.252) 2.332 7.546 ( -1.856 -0.000 0.018) 1.856 7.624 ( -7.183 -0.000 -0.055) 7.184 7.746 ( 11.709 0.000 4.501) 12.545 8.074 ( 2.784 0.000 2.393) 3.671 8.082 ( -1.395 -0.000 -7.388) 7.518 8.216 ( -7.162 -0.000 2.877) 7.718 8.354 ( -26.139 -0.000 9.485) 27.806 8.515 ( 15.141 0.000 -13.471) 20.266 9.498 ( 1.114 0.000 -4.518) 4.653 9.797 ( -6.074 -0.000 11.038) 12.599 10.112 ( -0.986 -0.000 4.479) 4.587 10.410 ( -2.815 -0.000 7.550) 8.058 10.425 ( 10.187 0.000 -19.718) 22.194 10.703 ( 10.596 0.000 -5.425) 11.904 10.927 ( 0.978 0.000 18.644) 18.670 10.970 ( -3.162 -0.000 -11.232) 11.669 11.854 ( 5.800 0.000 -2.679) 6.389 11.864 ( -8.280 -0.000 2.197) 8.566 14.106 ( 3.409 0.000 4.580) 5.710 14.242 ( -1.865 -0.000 -3.503) 3.969 19.365 ( -2.545 -0.000 -3.356) 4.212 19.529 ( 1.926 0.000 8.531) 8.745 19.576 ( 6.921 0.000 -3.386) 7.705 20.075 ( 1.030 0.000 -1.166) 1.556 20.250 ( 10.336 0.000 -6.404) 12.158 20.457 ( 0.410 0.000 10.497) 10.505 21.261 ( -14.001 -0.000 -10.935) 17.765 21.297 ( -12.996 -0.000 6.112) 14.362 24.482 ( 3.992 0.000 -1.482) 4.258 24.604 ( 4.982 0.000 1.857) 5.316 26.279 ( -4.143 -0.000 0.372) 4.159 26.425 ( -1.770 -0.000 -0.537) 1.849 ======================= Grid point 106 (44/95) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 3.196 0.673 1.918) 3.788 1.431 ( -1.762 -0.520 -4.755) 5.098 1.514 ( 5.553 0.783 2.080) 5.982 1.702 ( 1.244 3.620 -1.481) 4.104 1.740 ( 5.753 -2.572 7.307) 9.649 1.921 ( 0.881 -3.244 3.071) 4.553 2.127 ( 2.898 3.198 -1.101) 4.454 2.204 ( -0.502 -0.792 -0.450) 1.040 2.236 ( 3.559 -0.377 -1.613) 3.926 2.344 ( -1.790 -1.575 -3.497) 4.232 2.426 ( -1.348 3.460 2.223) 4.328 2.481 ( -2.325 -1.804 1.554) 3.328 2.522 ( 5.961 0.418 2.145) 6.349 2.588 ( -5.496 2.987 4.512) 7.713 2.686 ( 2.009 -2.898 -2.130) 4.120 2.818 ( -0.309 1.516 -2.896) 3.283 2.894 ( -2.762 -2.997 -8.809) 9.707 2.910 ( -0.840 -3.857 -0.270) 3.956 3.232 ( 0.205 1.757 1.502) 2.321 3.265 ( 2.927 0.389 4.802) 5.637 3.431 ( 6.361 0.923 -3.068) 7.122 3.476 ( 6.546 4.247 1.845) 8.018 3.504 ( 2.830 -0.649 -1.367) 3.209 3.672 ( -3.869 6.351 1.891) 7.673 4.012 ( -5.288 -1.101 -0.459) 5.421 4.079 ( -6.208 -4.193 0.664) 7.521 4.352 ( -0.920 2.894 -0.595) 3.094 4.385 ( 2.582 -0.595 -0.682) 2.736 4.577 ( 4.740 1.293 -2.027) 5.315 4.704 ( -0.966 0.253 -1.157) 1.528 4.715 ( -0.717 -0.572 -0.449) 1.021 4.761 ( -1.796 -0.881 0.096) 2.002 5.448 ( -3.831 1.608 5.722) 7.071 5.628 ( -7.216 -3.264 -5.207) 9.478 5.785 ( -4.700 0.358 -2.229) 5.214 5.851 ( -7.642 -5.236 1.347) 9.361 6.841 ( -6.385 0.104 0.669) 6.420 6.955 ( -18.629 -1.655 1.495) 18.762 7.120 ( -3.787 1.237 -2.385) 4.644 7.455 ( -9.730 1.843 4.501) 10.878 7.508 ( -6.708 0.171 0.353) 6.720 7.525 ( 8.336 -0.268 -1.963) 8.568 7.885 ( -8.474 0.372 1.855) 8.683 7.960 ( 3.103 3.273 11.269) 12.138 8.072 ( -1.196 -2.706 -3.954) 4.939 8.078 ( -6.210 -2.394 -3.962) 7.745 8.338 ( 22.824 1.572 -3.395) 23.129 8.792 ( 15.344 -0.600 -5.062) 16.168 9.481 ( -2.943 0.952 -0.710) 3.173 9.743 ( 0.544 0.870 4.641) 4.753 10.068 ( -4.026 -0.011 4.896) 6.339 10.308 ( -5.831 2.900 6.263) 9.036 10.577 ( 1.525 -6.815 -10.330) 12.469 10.761 ( -3.488 1.150 -12.084) 12.629 10.925 ( 1.063 1.547 -0.268) 1.896 10.938 ( -1.998 0.315 9.192) 9.412 11.648 ( -15.284 -2.014 1.107) 15.456 11.884 ( -2.184 0.086 0.481) 2.238 14.165 ( 1.616 1.646 3.152) 3.906 14.191 ( -2.133 -1.230 -2.555) 3.548 19.332 ( -0.600 0.053 -2.405) 2.479 19.591 ( 4.520 0.516 8.701) 9.819 19.715 ( 7.552 -0.243 -5.648) 9.434 20.128 ( 4.196 -0.238 -0.207) 4.208 20.355 ( 8.425 13.105 0.323) 15.583 20.601 ( 6.970 -12.013 3.786) 14.395 21.069 ( -4.793 1.274 -7.065) 8.632 21.139 ( -4.306 -1.005 2.075) 4.884 24.449 ( -8.039 -1.084 -2.284) 8.427 24.566 ( -8.820 0.337 2.432) 9.155 26.260 ( 1.798 -0.307 -0.839) 2.008 26.412 ( 0.687 0.073 0.967) 1.189 ======================= Grid point 107 (45/95) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -3.075 3.830 -2.759) 5.634 1.416 ( 3.247 -0.958 1.022) 3.536 1.614 ( 5.881 5.209 -0.472) 7.871 1.746 ( 5.625 3.032 -0.164) 6.392 1.835 ( 1.117 -1.637 2.780) 3.414 2.008 ( 1.528 -0.122 0.191) 1.545 2.054 ( -4.052 3.328 0.775) 5.301 2.160 ( 2.720 0.384 1.846) 3.310 2.269 ( -0.197 -0.531 -6.068) 6.094 2.346 ( -2.718 2.680 1.550) 4.120 2.398 ( 0.645 0.207 -0.039) 0.679 2.455 ( -1.451 1.729 4.370) 4.919 2.574 ( 1.199 -6.898 4.734) 8.452 2.605 ( 5.342 -0.383 2.401) 5.869 2.731 ( 1.333 2.622 -5.672) 6.389 2.804 ( -0.981 -5.069 1.297) 5.323 2.897 ( -1.241 -1.764 -1.689) 2.739 2.930 ( -0.241 -2.284 -6.305) 6.710 3.201 ( -1.667 2.332 2.498) 3.802 3.278 ( 0.486 1.759 2.869) 3.400 3.428 ( -5.498 7.695 -2.179) 9.705 3.477 ( 1.645 6.438 -1.255) 6.762 3.533 ( 4.599 6.600 0.806) 8.085 3.633 ( 2.402 4.783 0.201) 5.356 3.996 ( -0.463 -6.195 0.554) 6.237 4.032 ( -4.490 -7.507 2.294) 9.043 4.236 ( -8.122 0.911 1.676) 8.343 4.407 ( -3.894 -0.417 -4.434) 5.915 4.584 ( -5.869 1.424 0.541) 6.063 4.602 ( 0.843 3.690 -1.638) 4.124 4.658 ( -2.226 0.194 -0.779) 2.367 4.843 ( 4.505 -2.359 3.139) 5.976 5.376 ( -4.409 1.066 -0.118) 4.538 5.551 ( -6.316 -4.958 -3.221) 8.652 5.664 ( -7.452 -6.392 4.149) 10.658 5.801 ( -4.433 -5.501 -5.935) 9.227 6.581 ( -19.883 -0.847 -0.488) 19.907 6.665 ( -18.678 0.885 0.818) 18.717 6.932 ( -14.285 0.415 -2.506) 14.510 7.129 ( -21.221 0.175 7.756) 22.594 7.300 ( -4.675 -2.962 -4.393) 7.066 7.676 ( 2.400 0.357 2.294) 3.339 7.878 ( 1.115 1.186 3.847) 4.178 7.901 ( -4.330 3.044 0.900) 5.369 7.989 ( -4.699 -0.736 -10.308) 11.353 8.160 ( 4.829 -5.904 10.778) 13.204 8.800 ( 27.080 3.740 -9.090) 28.809 9.097 ( 19.043 1.472 3.633) 19.442 9.421 ( -2.245 -1.294 0.794) 2.710 9.761 ( 2.943 3.260 -5.451) 7.000 9.966 ( -8.080 0.153 4.026) 9.028 10.174 ( -6.890 0.755 5.817) 9.049 10.515 ( -13.705 -3.580 -0.513) 14.174 10.690 ( -4.291 -4.195 -10.987) 12.519 10.840 ( -6.421 2.520 8.927) 11.282 10.908 ( -2.041 1.779 -4.487) 5.240 11.425 ( -11.828 -5.381 -1.499) 13.080 11.787 ( -8.657 -0.694 4.040) 9.578 14.099 ( -4.799 -1.131 -3.807) 6.229 14.227 ( 2.841 1.699 3.723) 4.982 19.341 ( 1.616 -0.009 -1.031) 1.917 19.665 ( 4.368 3.124 6.533) 8.456 19.831 ( 5.978 1.545 -4.799) 7.820 20.196 ( 4.180 3.349 0.475) 5.377 20.401 ( 10.134 10.333 -2.153) 14.632 20.743 ( 1.289 1.016 3.867) 4.201 21.103 ( 5.066 -5.664 -0.399) 7.610 21.237 ( 11.587 -9.244 -2.799) 15.084 24.221 ( -18.211 -1.901 -1.952) 18.413 24.317 ( -17.834 -0.851 1.736) 17.938 26.333 ( 5.491 -0.196 -1.327) 5.652 26.450 ( 2.801 -0.694 1.658) 3.329 ======================= Grid point 108 (46/95) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -3.851 9.390 -2.164) 10.377 1.543 ( -6.033 11.367 6.414) 14.379 1.562 ( 10.174 -0.836 -0.391) 10.216 1.790 ( 3.232 3.777 -1.677) 5.246 1.856 ( 1.260 1.213 -0.953) 1.992 1.907 ( 1.117 6.581 -0.618) 6.704 2.095 ( -5.021 1.071 -4.120) 6.583 2.184 ( -0.580 -1.542 4.045) 4.368 2.259 ( 4.210 -0.548 0.523) 4.278 2.271 ( -2.233 1.393 -2.771) 3.821 2.362 ( -2.276 2.526 5.512) 6.476 2.493 ( 1.826 -0.729 -0.642) 2.069 2.642 ( 3.757 -0.345 2.701) 4.640 2.704 ( -0.476 3.193 -1.122) 3.418 2.745 ( -1.312 -8.273 4.108) 9.330 2.806 ( -0.200 0.512 0.337) 0.645 2.819 ( -3.786 4.495 0.947) 5.953 2.976 ( 3.334 -1.839 -4.248) 5.705 3.135 ( -2.775 3.389 -0.430) 4.401 3.231 ( -5.284 5.944 -0.383) 7.963 3.274 ( 0.812 2.840 1.254) 3.209 3.413 ( -0.361 7.061 -5.699) 9.081 3.535 ( 2.446 8.560 -1.900) 9.103 3.628 ( 2.762 -0.980 -0.784) 3.034 3.959 ( -7.805 -3.178 6.145) 10.430 4.075 ( -3.758 -6.679 -0.071) 7.664 4.180 ( 0.334 -6.791 -1.010) 6.874 4.258 ( -9.001 -2.841 -6.142) 11.261 4.517 ( -0.029 1.886 2.602) 3.214 4.583 ( -1.788 -0.052 2.747) 3.279 4.652 ( 2.324 3.115 -0.295) 3.898 4.932 ( 2.489 -3.127 6.190) 7.368 5.222 ( -10.166 -0.061 -6.444) 12.037 5.480 ( -7.203 -5.306 -5.415) 10.458 5.669 ( -1.485 -6.719 5.737) 8.959 5.799 ( -0.411 -4.258 -5.684) 7.113 6.153 ( -27.824 2.629 3.163) 28.126 6.268 ( -20.916 -5.488 -1.833) 21.701 6.703 ( -15.617 0.104 9.287) 18.170 6.834 ( -7.131 -1.416 -5.111) 8.887 7.358 ( 5.631 -4.786 -8.823) 11.509 7.677 ( -1.419 -1.960 7.736) 8.106 7.756 ( -10.213 0.878 3.487) 10.827 7.811 ( -7.521 1.500 -3.834) 8.574 7.894 ( -4.467 -1.385 -3.308) 5.729 8.356 ( 9.040 -4.613 13.557) 16.935 9.134 ( 14.763 7.594 -11.918) 20.437 9.371 ( 9.751 4.113 -6.515) 12.428 9.487 ( 8.081 -1.694 10.490) 13.350 9.765 ( -9.374 1.147 1.569) 9.574 9.811 ( 4.064 0.407 -10.047) 10.845 10.044 ( -6.537 3.243 2.987) 7.885 10.262 ( -15.070 -4.882 4.950) 16.596 10.593 ( -10.642 -5.909 3.245) 12.598 10.761 ( -3.008 0.752 4.809) 5.722 10.850 ( 0.598 -0.229 -9.723) 9.745 11.309 ( -7.250 -4.585 -5.927) 10.426 11.598 ( -13.693 -1.740 7.814) 15.861 14.038 ( -3.297 -2.313 -2.265) 4.621 14.249 ( 1.682 2.722 1.490) 3.529 19.381 ( 2.656 0.187 0.062) 2.664 19.683 ( 1.464 4.810 0.656) 5.070 19.883 ( 4.065 6.533 2.172) 7.995 20.225 ( 4.170 5.961 -0.341) 7.283 20.515 ( 12.077 8.685 -5.846) 15.983 20.729 ( 1.582 4.475 3.411) 5.845 21.315 ( 9.177 -10.589 4.779) 14.804 21.625 ( 16.139 -14.612 -4.671) 22.266 23.853 ( -22.914 -1.206 0.596) 22.954 23.984 ( -20.022 -2.434 -1.107) 20.200 26.440 ( 5.966 -0.033 -1.433) 6.136 26.514 ( 2.607 -1.543 1.964) 3.610 ======================= Grid point 109 (47/95) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -4.091 13.854 7.598) 16.322 1.254 ( -10.165 16.586 10.756) 22.229 1.610 ( -5.861 7.409 -7.677) 12.173 1.758 ( -1.077 5.626 -9.285) 10.910 1.874 ( 2.827 7.256 -2.769) 8.265 1.917 ( 6.371 3.651 5.907) 9.424 2.035 ( 3.775 -0.721 0.662) 3.900 2.159 ( -3.126 2.442 3.283) 5.149 2.172 ( -4.218 5.495 1.277) 7.044 2.348 ( 3.324 2.111 2.608) 4.723 2.366 ( -3.180 5.652 -1.022) 6.565 2.424 ( 0.969 2.972 3.313) 4.555 2.496 ( -5.751 6.221 2.787) 8.919 2.631 ( -2.928 3.759 5.243) 7.085 2.803 ( -0.653 -7.905 1.382) 8.051 2.861 ( 0.661 -3.293 -3.192) 4.633 2.872 ( 8.049 -1.779 0.068) 8.244 3.001 ( -1.609 7.167 -8.246) 11.043 3.070 ( 1.713 -0.834 -0.127) 1.909 3.160 ( -2.583 -3.540 1.279) 4.565 3.273 ( 1.396 0.247 -2.970) 3.291 3.373 ( 1.246 5.066 -8.355) 9.850 3.512 ( 2.607 1.350 0.900) 3.071 3.727 ( 3.797 -2.474 -0.280) 4.540 3.878 ( -3.757 -2.464 5.286) 6.938 3.965 ( -9.027 -1.192 -1.965) 9.314 4.188 ( -1.292 -3.515 -3.703) 5.267 4.281 ( -0.751 -4.493 -5.640) 7.250 4.501 ( -4.374 -4.688 1.480) 6.580 4.578 ( 4.052 1.446 3.985) 5.865 4.689 ( 3.933 -0.750 4.171) 5.782 4.998 ( -4.074 -5.579 2.536) 7.359 5.087 ( -0.460 -1.943 -4.159) 4.614 5.397 ( -3.164 -0.327 -5.535) 6.384 5.623 ( -13.070 1.912 6.181) 14.584 5.747 ( -12.444 -3.718 -12.223) 17.835 5.798 ( -3.881 -4.403 4.650) 7.488 6.024 ( -9.301 -4.977 9.131) 13.952 6.491 ( -9.097 -5.307 9.123) 13.934 6.800 ( 2.012 0.795 -13.072) 13.250 7.493 ( -15.331 -2.705 5.545) 16.526 7.519 ( 1.927 -4.287 -2.970) 5.560 7.700 ( -1.036 -0.605 -1.399) 1.844 7.707 ( -0.418 -3.985 2.194) 4.568 7.872 ( 2.606 -1.160 1.961) 3.462 8.515 ( 3.564 1.124 5.915) 6.997 9.139 ( -7.922 5.128 -6.489) 11.452 9.396 ( 3.891 2.784 -9.454) 10.596 9.565 ( 1.288 -0.492 3.899) 4.136 9.739 ( 3.826 -0.880 7.682) 8.628 9.784 ( -6.799 6.197 -2.134) 9.443 10.044 ( 9.223 -0.723 -1.005) 9.305 10.139 ( -4.921 -5.463 0.739) 7.390 10.468 ( -6.387 -1.378 -0.534) 6.556 10.672 ( -3.872 1.120 5.544) 6.854 10.974 ( 10.187 0.112 -6.419) 12.041 11.219 ( -7.420 -5.927 -6.106) 11.290 11.352 ( -15.702 -4.131 8.845) 18.489 14.027 ( -0.453 -2.569 0.202) 2.616 14.239 ( 0.149 2.766 -2.181) 3.526 19.424 ( 2.355 0.634 0.576) 2.506 19.630 ( -1.575 5.649 -3.341) 6.749 19.870 ( 3.220 10.221 8.455) 13.650 20.223 ( 2.051 6.437 -2.365) 7.158 20.656 ( 11.205 6.351 -3.886) 13.454 20.736 ( 2.775 3.286 1.567) 4.578 21.605 ( 8.893 -14.095 5.424) 17.526 22.024 ( 10.166 -16.956 -5.624) 20.555 23.470 ( -18.434 0.409 3.429) 18.754 23.667 ( -15.633 -1.016 -3.668) 16.090 26.530 ( 2.428 -0.993 1.041) 2.822 26.567 ( 2.200 -1.186 0.088) 2.501 ======================= Grid point 110 (48/95) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 4.993 15.116 14.578) 21.585 0.980 ( 0.057 17.468 15.764) 23.530 1.408 ( -1.580 9.819 -10.551) 14.500 1.645 ( -0.786 12.456 -14.594) 19.203 1.780 ( -0.407 22.769 7.783) 24.066 1.906 ( -2.224 4.149 4.527) 6.531 2.016 ( 1.806 6.884 6.368) 9.550 2.093 ( -0.785 1.138 -2.247) 2.638 2.174 ( -3.366 9.453 0.127) 10.035 2.236 ( 5.748 1.214 7.065) 9.188 2.317 ( -1.253 6.623 -1.315) 6.868 2.368 ( -1.873 -2.057 5.686) 6.330 2.551 ( -1.026 -7.744 -5.620) 9.623 2.577 ( -0.899 1.680 6.700) 6.966 2.787 ( -2.161 0.338 -5.858) 6.254 2.882 ( 0.566 1.989 -7.323) 7.609 2.965 ( 0.214 -5.368 -5.022) 7.355 2.998 ( 1.637 -4.058 0.426) 4.396 3.144 ( 3.874 -0.960 2.536) 4.729 3.178 ( -0.643 -6.228 1.304) 6.396 3.286 ( -2.336 0.276 -2.949) 3.772 3.330 ( 0.446 1.331 -9.740) 9.840 3.623 ( 7.806 -2.616 3.682) 9.018 3.706 ( -7.433 -1.561 1.870) 7.822 3.837 ( -4.383 -0.603 1.748) 4.757 3.920 ( 4.414 0.443 -0.843) 4.515 4.168 ( -3.436 -2.402 0.341) 4.206 4.282 ( 2.568 0.545 -12.064) 12.346 4.508 ( -0.249 -4.321 -0.021) 4.328 4.687 ( 7.787 -0.037 -1.678) 7.966 4.758 ( -3.859 -6.590 5.814) 9.598 4.908 ( -6.114 -3.172 1.842) 7.129 5.218 ( 5.613 -4.637 3.171) 7.941 5.361 ( -3.351 3.472 -4.325) 6.480 5.469 ( 1.198 -2.077 1.915) 3.069 5.577 ( -1.426 -1.562 -8.440) 8.701 5.828 ( -2.367 -3.799 9.331) 10.349 6.015 ( 7.479 -0.973 11.565) 13.807 6.473 ( -3.410 -10.689 -0.624) 11.237 6.863 ( 7.046 2.516 -12.551) 14.612 7.298 ( -6.751 -3.963 9.488) 12.300 7.523 ( 0.222 -0.209 -1.595) 1.624 7.647 ( -6.026 -3.138 3.613) 7.695 7.851 ( 5.087 -6.978 -5.701) 10.348 8.023 ( 9.853 -0.627 6.609) 11.881 8.380 ( -13.017 6.129 -9.143) 17.047 9.018 ( 2.420 -0.063 8.947) 9.269 9.450 ( 0.604 0.081 -10.786) 10.803 9.561 ( -2.588 2.892 2.816) 4.795 9.693 ( 5.353 2.938 0.462) 6.124 9.778 ( 0.025 2.387 8.124) 8.468 10.057 ( -10.483 0.046 0.652) 10.504 10.190 ( 5.414 -4.675 -3.476) 7.953 10.451 ( 7.480 7.844 -3.633) 11.432 10.654 ( 1.198 -1.982 5.858) 6.299 11.024 ( -1.510 2.578 -9.810) 10.254 11.124 ( -12.222 -10.798 6.954) 17.730 11.339 ( 9.644 -6.209 0.220) 11.472 14.053 ( 0.569 -0.823 1.903) 2.150 14.204 ( -1.276 1.255 -5.514) 5.797 19.452 ( 1.604 1.046 0.790) 2.072 19.530 ( -2.890 5.741 -3.355) 7.251 19.819 ( 1.335 10.329 10.725) 14.950 20.182 ( -0.292 4.727 -4.269) 6.376 20.698 ( -3.702 2.159 1.146) 4.436 20.793 ( 5.353 2.536 -2.766) 6.537 21.882 ( 5.002 -15.378 4.997) 16.926 22.238 ( -4.882 -16.107 -6.579) 18.071 23.263 ( -0.583 2.251 5.758) 6.210 23.497 ( -0.539 1.924 -4.605) 5.020 26.524 ( -3.426 -0.966 3.433) 4.946 26.622 ( 1.829 -0.704 -1.154) 2.274 ======================= Grid point 111 (49/95) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 13.470 10.692 10.843) 20.331 0.965 ( 12.298 15.983 13.060) 24.026 1.399 ( 2.025 7.301 -9.418) 12.088 1.497 ( 7.972 17.415 1.093) 19.184 1.636 ( 8.572 17.255 -4.564) 19.801 1.805 ( -2.381 6.908 4.056) 8.357 2.010 ( 0.193 -2.106 3.215) 3.848 2.030 ( -0.422 9.446 1.131) 9.523 2.106 ( 2.178 0.095 2.511) 3.325 2.233 ( -0.141 3.118 6.715) 7.404 2.279 ( 1.955 4.949 -2.161) 5.744 2.419 ( -0.918 -7.243 2.742) 7.799 2.534 ( -3.603 -1.058 -1.606) 4.084 2.572 ( 1.289 0.566 5.591) 5.766 2.758 ( -1.599 -1.273 -6.999) 7.291 2.896 ( 3.055 1.545 -11.561) 12.057 2.975 ( -5.865 -4.484 -1.886) 7.620 3.029 ( -1.276 -1.873 -0.042) 2.266 3.176 ( -2.175 0.492 -1.682) 2.794 3.200 ( -1.828 0.715 -2.710) 3.347 3.230 ( -0.516 -6.954 -1.169) 7.070 3.355 ( 0.669 -1.848 -4.011) 4.466 3.595 ( -5.573 -2.417 0.875) 6.138 3.755 ( -2.460 -1.189 0.272) 2.746 3.846 ( 9.871 -4.377 5.149) 11.963 4.023 ( 6.619 -0.144 1.612) 6.814 4.194 ( 2.929 -2.162 -3.740) 5.219 4.327 ( 4.108 2.394 -10.518) 11.543 4.508 ( -6.615 -3.790 4.984) 9.109 4.701 ( -1.406 -4.014 4.236) 6.003 4.774 ( -9.900 0.799 0.599) 9.950 4.881 ( 6.201 -2.112 3.981) 7.666 5.256 ( -1.580 1.749 -4.990) 5.519 5.346 ( 11.487 1.556 -5.477) 12.821 5.572 ( 1.185 -2.181 1.315) 2.809 5.684 ( 10.098 1.269 1.489) 10.286 5.937 ( 11.383 -7.391 8.167) 15.840 6.309 ( 13.205 -5.857 1.865) 14.565 6.545 ( 7.233 -6.557 3.452) 10.355 6.965 ( 7.135 3.673 -6.766) 10.497 7.333 ( 1.412 -5.196 5.013) 7.357 7.570 ( 2.602 0.794 -2.427) 3.646 7.617 ( 3.017 -2.851 1.548) 4.430 7.913 ( -2.593 -4.406 -1.250) 5.263 8.032 ( -7.156 2.204 -5.502) 9.292 8.242 ( 3.671 1.193 9.129) 9.912 9.194 ( 7.238 -2.005 -8.010) 10.980 9.343 ( -10.343 3.425 -7.639) 13.307 9.491 ( -0.050 -0.027 8.476) 8.477 9.696 ( -3.259 4.405 6.793) 8.728 9.804 ( 2.656 -0.684 -1.316) 3.042 9.929 ( 5.485 1.654 -3.185) 6.555 10.327 ( 2.127 -2.498 -1.919) 3.801 10.478 ( 3.235 6.245 4.117) 8.149 10.712 ( 2.019 -4.216 -1.224) 4.832 11.005 ( -0.523 0.823 4.300) 4.409 11.136 ( 5.903 -7.642 -8.147) 12.634 11.591 ( 10.747 -5.315 3.297) 12.435 14.039 ( -1.425 1.124 0.272) 1.835 14.192 ( 1.134 0.107 -2.538) 2.782 19.430 ( -2.280 3.942 -2.200) 5.057 19.469 ( 1.112 1.022 1.001) 1.812 19.735 ( -1.223 8.577 10.170) 13.360 20.126 ( -2.259 1.595 -6.022) 6.627 20.522 ( -11.467 4.020 -3.313) 12.595 20.765 ( -5.844 2.882 2.702) 7.055 21.994 ( -10.008 -13.359 8.352) 18.665 22.163 ( -14.965 -10.531 -8.657) 20.243 23.478 ( 23.121 -0.903 4.233) 23.522 23.636 ( 17.232 1.499 -3.457) 17.639 26.472 ( -1.650 -0.023 0.304) 1.678 26.621 ( -3.001 -0.816 1.171) 3.323 ======================= Grid point 115 (50/95) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 2.120 0.000 2.852) 3.554 1.374 ( -1.617 -0.000 -3.739) 4.073 1.690 ( 10.244 0.000 -0.979) 10.291 1.755 ( 0.829 0.000 4.113) 4.196 1.883 ( 10.241 0.000 1.195) 10.310 1.914 ( 0.696 0.000 -0.630) 0.939 2.139 ( -7.196 -0.000 0.994) 7.265 2.195 ( 2.410 0.000 -3.332) 4.112 2.246 ( -0.806 -0.000 1.231) 1.472 2.366 ( 4.410 0.000 0.046) 4.410 2.388 ( -6.394 -0.000 2.916) 7.028 2.432 ( 0.711 0.000 1.721) 1.862 2.514 ( -2.017 -0.000 7.217) 7.493 2.634 ( 4.980 0.000 0.870) 5.056 2.714 ( 0.131 0.000 1.806) 1.811 2.791 ( -0.414 -0.000 -12.730) 12.737 2.878 ( -0.856 -0.000 1.294) 1.552 2.900 ( 3.347 0.000 -9.345) 9.926 3.223 ( -1.924 -0.000 2.914) 3.492 3.297 ( 0.593 0.000 4.020) 4.063 3.488 ( -2.601 -0.000 -3.704) 4.526 3.534 ( 3.257 0.000 -2.764) 4.272 3.640 ( 6.438 0.000 2.505) 6.908 3.717 ( 3.636 0.000 2.829) 4.607 3.917 ( -3.571 -0.000 -1.480) 3.866 3.930 ( -6.183 -0.000 4.784) 7.818 4.248 ( -12.185 -0.000 2.517) 12.443 4.400 ( -3.844 -0.000 -4.671) 6.050 4.596 ( -5.495 -0.000 1.111) 5.606 4.635 ( -3.830 -0.000 -1.670) 4.178 4.689 ( 4.543 0.000 -2.829) 5.351 4.797 ( 2.537 0.000 4.625) 5.275 5.410 ( -3.089 -0.000 1.764) 3.558 5.469 ( -7.033 -0.000 -8.284) 10.867 5.609 ( -10.239 -0.000 8.183) 13.107 5.738 ( -3.080 -0.000 -7.317) 7.939 6.573 ( -21.203 -0.000 -0.593) 21.211 6.674 ( -15.883 -0.000 0.288) 15.886 6.941 ( -16.407 -0.000 -2.838) 16.651 7.134 ( -22.248 -0.000 8.590) 23.849 7.267 ( -4.454 -0.000 -4.506) 6.336 7.679 ( 1.384 0.000 2.200) 2.600 7.888 ( 0.967 0.000 5.236) 5.324 7.941 ( -6.446 -0.000 -8.449) 10.627 7.996 ( -4.999 -0.000 -9.538) 10.768 8.075 ( 6.666 0.000 18.480) 19.645 8.839 ( 28.240 0.000 -9.709) 29.862 9.109 ( 20.472 0.000 4.467) 20.954 9.412 ( -3.085 -0.000 -1.070) 3.265 9.798 ( 3.049 0.000 -4.389) 5.344 9.969 ( -7.521 -0.000 6.665) 10.049 10.193 ( -7.682 -0.000 6.399) 9.998 10.453 ( -11.458 -0.000 -4.229) 12.214 10.644 ( -6.492 -0.000 -13.064) 14.588 10.892 ( -6.379 -0.000 -9.390) 11.352 10.914 ( -4.078 -0.000 18.287) 18.736 11.365 ( -11.373 -0.000 -2.850) 11.725 11.782 ( -8.717 -0.000 3.922) 9.558 14.088 ( -5.291 -0.000 -4.635) 7.034 14.245 ( 3.231 0.000 4.418) 5.474 19.341 ( 1.612 0.000 -0.839) 1.818 19.696 ( 5.179 0.000 7.217) 8.883 19.847 ( 7.457 0.000 -7.220) 10.380 20.229 ( 6.515 0.000 0.564) 6.539 20.547 ( 4.683 0.000 7.116) 8.519 20.711 ( 10.295 0.000 -3.792) 10.971 21.045 ( 1.821 0.000 -1.692) 2.486 21.146 ( 7.155 0.000 -1.744) 7.364 24.202 ( -17.742 -0.000 -3.011) 17.996 24.309 ( -18.745 -0.000 2.734) 18.944 26.332 ( 5.756 0.000 -1.556) 5.962 26.443 ( 2.374 0.000 1.968) 3.083 ======================= Grid point 117 (51/95) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 3.045 7.940 -2.236) 8.793 1.502 ( 9.133 -5.733 0.442) 10.793 1.712 ( -2.878 5.578 4.185) 7.544 1.766 ( -2.693 -1.094 -1.310) 3.188 1.949 ( 3.880 3.697 -0.966) 5.446 2.017 ( 0.936 3.526 7.896) 8.698 2.081 ( 5.582 -2.122 -2.670) 6.541 2.182 ( -5.042 3.901 0.337) 6.384 2.258 ( -1.809 -0.426 2.157) 2.847 2.284 ( 0.882 -1.352 -3.497) 3.851 2.394 ( -0.254 -2.011 -3.053) 3.665 2.467 ( 0.480 2.400 7.245) 7.648 2.542 ( 1.665 -6.132 6.044) 8.770 2.684 ( 2.196 0.276 2.873) 3.627 2.729 ( -1.238 -3.410 -0.025) 3.628 2.773 ( -0.676 1.043 -8.692) 8.781 2.871 ( 0.183 0.696 -1.399) 1.573 2.978 ( 6.142 0.739 -9.650) 11.462 3.172 ( -3.143 1.023 1.030) 3.462 3.299 ( 0.022 0.925 2.961) 3.102 3.419 ( -2.532 7.204 -0.800) 7.678 3.522 ( -2.362 3.539 -2.243) 4.810 3.641 ( -0.610 3.260 2.248) 4.007 3.734 ( 2.370 9.167 -1.137) 9.537 3.886 ( -3.347 -3.629 5.274) 7.224 3.945 ( -0.763 -6.303 1.075) 6.440 4.051 ( -5.192 -5.506 0.217) 7.571 4.212 ( -12.652 -1.617 -7.631) 14.863 4.554 ( -1.934 1.725 2.043) 3.301 4.577 ( -2.947 -0.694 2.704) 4.059 4.732 ( 1.202 5.303 2.988) 6.204 4.844 ( 1.275 -5.881 5.093) 7.884 5.259 ( -8.757 4.118 -8.306) 12.752 5.366 ( -7.303 -6.525 -8.719) 13.113 5.570 ( 1.395 -2.842 7.875) 8.488 5.726 ( 0.959 -2.572 -4.708) 5.450 6.177 ( -23.990 -0.374 -2.995) 24.179 6.213 ( -28.028 -0.246 4.709) 28.422 6.732 ( -17.514 2.118 11.603) 21.115 6.802 ( -4.191 -1.742 -8.555) 9.684 7.287 ( 4.006 -2.260 -9.501) 10.556 7.639 ( -5.870 -1.288 8.984) 10.809 7.794 ( -8.288 2.355 2.172) 8.886 7.833 ( -8.610 0.598 -3.052) 9.154 7.857 ( -5.890 -2.178 -4.812) 7.911 8.281 ( 11.933 -2.480 15.668) 19.851 9.253 ( 17.435 4.062 -13.378) 22.349 9.393 ( 2.566 -0.619 -9.509) 9.869 9.500 ( 19.015 1.535 10.088) 21.580 9.770 ( -15.226 0.314 6.983) 16.754 9.836 ( 3.957 0.977 -9.468) 10.308 10.075 ( -4.769 0.653 3.993) 6.254 10.205 ( -15.134 -2.199 -1.405) 15.357 10.494 ( -11.775 -3.028 1.682) 12.274 10.771 ( -1.627 1.674 -0.950) 2.520 10.833 ( -4.726 -2.372 4.402) 6.880 11.248 ( -4.859 -1.586 -9.134) 10.466 11.587 ( -13.107 0.054 8.368) 15.551 14.006 ( -3.576 -0.920 -2.621) 4.528 14.287 ( 1.738 1.137 1.725) 2.700 19.382 ( 2.708 -0.011 0.730) 2.805 19.749 ( 1.350 1.898 -0.499) 2.382 19.977 ( 8.045 2.817 -0.368) 8.531 20.330 ( 5.979 3.889 0.028) 7.133 20.637 ( 7.617 3.691 2.660) 8.872 20.809 ( 3.048 3.481 -1.343) 4.818 21.145 ( 5.606 -6.246 5.210) 9.878 21.403 ( 15.364 -7.262 -6.388) 18.155 23.843 ( -20.881 -0.103 -2.314) 21.009 23.945 ( -20.768 -1.272 1.474) 20.859 26.443 ( 6.214 0.196 -1.772) 6.465 26.491 ( 2.247 -0.759 2.452) 3.411 ======================= Grid point 118 (52/95) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -0.497 14.408 4.753) 15.180 1.537 ( -7.067 12.807 9.284) 17.325 1.726 ( -2.673 -3.281 -1.267) 4.417 1.739 ( 6.338 1.955 -4.696) 8.127 1.922 ( -5.588 -5.515 4.281) 8.943 1.937 ( -0.482 1.145 -4.908) 5.063 2.118 ( 10.131 12.031 5.179) 16.559 2.235 ( 3.811 -1.251 -4.436) 5.980 2.245 ( -2.654 -1.267 -7.362) 7.928 2.267 ( 1.370 1.498 1.910) 2.787 2.402 ( 0.826 3.638 8.159) 8.971 2.457 ( -3.177 -1.375 0.540) 3.503 2.592 ( -3.357 -6.167 4.163) 8.163 2.678 ( -3.050 -0.185 -3.169) 4.402 2.740 ( 0.009 -2.794 0.593) 2.856 2.786 ( 2.565 1.301 6.274) 6.902 2.877 ( 3.153 2.356 -0.384) 3.954 3.043 ( -2.033 -0.903 0.149) 2.229 3.117 ( 2.611 5.093 -9.876) 11.414 3.256 ( -1.716 10.488 0.874) 10.664 3.295 ( -1.198 2.774 0.345) 3.041 3.445 ( -0.299 2.386 -3.858) 4.547 3.611 ( -2.238 4.990 -0.711) 5.515 3.703 ( 3.409 2.681 -3.025) 5.288 3.837 ( -2.217 -1.236 3.976) 4.717 3.933 ( -4.344 -2.369 -2.280) 5.448 4.101 ( -2.044 -5.229 -3.708) 6.728 4.149 ( 1.735 -8.671 -1.868) 9.038 4.424 ( -8.192 -3.298 3.751) 9.595 4.604 ( 4.496 1.186 3.455) 5.793 4.691 ( -1.656 0.796 6.964) 7.202 4.911 ( -3.267 -3.551 -5.306) 7.172 5.093 ( -1.323 2.507 -2.408) 3.720 5.339 ( -1.779 -5.370 -7.214) 9.168 5.629 ( -0.768 -1.334 6.766) 6.939 5.709 ( -11.013 -1.478 -9.641) 14.711 5.744 ( -17.071 0.149 2.871) 17.311 5.904 ( -5.150 -6.333 3.030) 8.707 6.441 ( -13.381 -0.555 15.140) 20.214 6.814 ( 4.132 0.585 -15.840) 16.381 7.419 ( 0.598 -4.497 -3.936) 6.006 7.443 ( -10.931 -3.167 8.607) 14.269 7.662 ( -4.526 -0.636 -4.450) 6.379 7.703 ( -5.720 0.137 3.083) 6.499 7.840 ( 3.627 -1.808 3.830) 5.576 8.510 ( 8.730 -0.883 7.041) 11.250 9.228 ( -16.858 3.842 -6.941) 18.632 9.430 ( 2.795 0.771 -12.140) 12.481 9.581 ( 3.034 2.019 3.770) 5.244 9.712 ( 2.981 -1.212 4.737) 5.727 9.915 ( -2.146 5.925 -4.630) 7.820 10.030 ( -2.690 -1.433 -3.006) 4.281 10.081 ( 9.706 -0.594 6.710) 11.815 10.362 ( -5.802 -7.144 0.596) 9.223 10.678 ( -6.694 -1.083 6.590) 9.456 10.958 ( 13.145 -1.970 -2.956) 13.617 11.145 ( -8.225 -1.180 -10.317) 13.246 11.320 ( -16.412 -0.018 10.776) 19.633 13.985 ( -0.026 -1.717 0.683) 1.848 14.285 ( -0.497 1.880 -2.125) 2.881 19.430 ( 2.370 0.085 1.870) 3.020 19.719 ( -1.369 3.500 -5.026) 6.276 20.056 ( 5.893 8.285 5.778) 11.694 20.361 ( 3.089 7.266 -1.260) 7.995 20.733 ( 4.943 2.325 1.771) 5.742 20.815 ( 3.208 4.805 -2.509) 6.299 21.347 ( 5.894 -12.536 7.460) 15.734 21.740 ( 10.501 -12.061 -7.435) 17.636 23.494 ( -15.246 1.898 0.863) 15.388 23.632 ( -14.621 -2.309 -2.060) 14.945 26.517 ( 1.034 -0.399 2.443) 2.682 26.551 ( 3.878 -0.667 -1.455) 4.195 ======================= Grid point 119 (53/95) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 4.641 15.796 11.378) 20.013 1.301 ( -1.796 15.928 12.509) 20.333 1.599 ( -1.590 9.897 -8.289) 13.007 1.731 ( -1.337 -0.917 -4.427) 4.715 1.916 ( -0.348 0.687 -4.095) 4.166 2.073 ( 2.241 -5.613 5.334) 8.061 2.139 ( -0.965 7.777 -6.254) 10.027 2.163 ( 2.125 6.495 3.994) 7.915 2.205 ( -1.342 7.491 3.644) 8.437 2.351 ( -2.720 -2.897 0.123) 3.976 2.369 ( -1.339 1.909 -0.537) 2.393 2.409 ( 1.945 -1.650 -1.456) 2.937 2.517 ( -1.752 7.943 4.900) 9.496 2.695 ( 0.158 -2.716 2.836) 3.930 2.720 ( 1.266 8.390 4.223) 9.477 2.794 ( -1.642 -5.578 1.085) 5.915 2.930 ( 0.284 -2.166 2.020) 2.975 3.002 ( -0.063 0.053 -4.128) 4.129 3.105 ( -0.523 3.439 -4.456) 5.653 3.175 ( 2.030 3.506 1.678) 4.385 3.265 ( -0.779 -0.332 -3.224) 3.333 3.436 ( 0.929 6.978 -10.036) 12.258 3.576 ( 4.222 -1.440 2.662) 5.195 3.687 ( -5.152 -0.210 -0.562) 5.187 3.819 ( -2.518 -0.965 1.355) 3.018 3.930 ( 3.904 0.435 -2.190) 4.497 4.104 ( -3.205 -4.247 1.293) 5.475 4.232 ( 1.967 -5.876 -8.855) 10.808 4.414 ( -0.360 -5.725 1.389) 5.902 4.651 ( -5.080 -2.967 8.387) 10.245 4.705 ( 7.560 1.083 -4.407) 8.817 4.847 ( -3.495 -3.171 -0.331) 4.731 5.142 ( 4.000 -1.743 3.045) 5.321 5.382 ( 1.062 -2.414 -7.243) 7.709 5.469 ( -6.291 1.748 0.647) 6.561 5.562 ( 3.169 -0.063 -6.504) 7.235 5.735 ( 0.653 -5.345 7.595) 9.310 5.979 ( 5.271 -3.406 4.188) 7.545 6.297 ( -6.097 -6.638 7.562) 11.765 6.907 ( 7.908 2.198 -14.207) 16.408 7.217 ( -9.235 -4.014 12.179) 15.803 7.516 ( 1.333 -0.655 -1.658) 2.226 7.617 ( -3.622 -0.477 0.402) 3.676 7.708 ( 4.168 -7.762 -4.561) 9.921 8.003 ( 10.767 -1.123 11.309) 15.655 8.458 ( -15.816 2.584 -10.474) 19.145 9.007 ( 1.030 -0.901 9.119) 9.221 9.457 ( -0.828 0.506 -12.539) 12.576 9.628 ( 3.562 3.763 0.453) 5.201 9.726 ( -0.520 0.992 1.421) 1.809 9.858 ( 4.599 4.929 4.935) 8.355 10.024 ( -2.610 -3.187 -5.244) 6.668 10.149 ( -0.826 0.452 4.013) 4.122 10.524 ( 14.486 -2.138 -6.958) 16.212 10.608 ( -3.296 -2.818 6.508) 7.821 10.944 ( -15.449 -4.554 4.820) 16.812 11.060 ( -8.793 -0.461 -2.503) 9.154 11.258 ( 14.718 -1.782 0.170) 14.827 14.029 ( 2.616 -1.408 3.315) 4.452 14.232 ( -2.993 1.614 -5.439) 6.415 19.463 ( 1.330 0.271 2.583) 2.917 19.635 ( -3.108 4.896 -5.616) 8.073 20.040 ( 2.765 11.928 8.406) 14.852 20.303 ( -1.042 7.791 -2.987) 8.408 20.736 ( -2.703 1.970 1.730) 3.766 20.840 ( 2.340 2.562 -1.877) 3.945 21.572 ( 2.186 -16.875 6.265) 18.133 21.951 ( -1.092 -13.676 -7.670) 15.718 23.317 ( -0.020 3.446 3.504) 4.915 23.502 ( -0.408 -1.212 -4.336) 4.521 26.512 ( -1.918 -0.400 2.746) 3.373 26.608 ( 1.393 -0.730 -1.360) 2.079 ======================= Grid point 120 (54/95) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 7.674 12.670 6.514) 16.182 1.242 ( 9.789 14.046 14.621) 22.514 1.534 ( 1.289 7.291 -8.855) 11.542 1.713 ( 2.984 5.989 -9.047) 11.253 1.893 ( -1.380 2.229 -0.782) 2.736 2.005 ( -4.966 5.734 -2.376) 7.949 2.013 ( 0.541 13.117 7.980) 15.363 2.124 ( -1.706 3.698 -2.060) 4.564 2.196 ( -0.114 -8.971 1.553) 9.105 2.279 ( -1.355 6.222 4.088) 7.567 2.345 ( 1.632 5.268 1.546) 5.728 2.416 ( 3.581 6.383 2.445) 7.717 2.475 ( -0.098 1.633 -0.373) 1.678 2.647 ( 1.952 7.403 7.036) 10.398 2.732 ( -0.307 -2.505 -1.072) 2.742 2.854 ( -0.795 -7.536 -1.538) 7.733 2.921 ( -3.716 -2.928 0.096) 4.732 3.014 ( 3.035 3.697 -6.231) 7.855 3.090 ( -1.368 -4.903 -1.424) 5.286 3.186 ( -1.046 -0.383 2.781) 2.996 3.238 ( -2.023 2.293 -3.486) 4.637 3.395 ( 3.337 6.856 -8.657) 11.536 3.579 ( -5.124 0.692 -1.294) 5.330 3.702 ( -0.019 -4.227 1.396) 4.451 3.793 ( 4.751 -1.523 3.227) 5.942 4.013 ( 4.410 -1.052 1.091) 4.663 4.143 ( 3.159 -3.205 -3.501) 5.701 4.302 ( -0.282 -5.442 -7.883) 9.583 4.445 ( -0.874 -2.599 3.310) 4.298 4.640 ( 1.516 -1.904 4.337) 4.973 4.772 ( -5.725 -1.096 -2.284) 6.260 4.825 ( 2.235 -2.891 8.354) 9.118 5.234 ( 0.953 -1.766 -8.349) 8.586 5.381 ( 7.677 0.632 -4.632) 8.988 5.539 ( 5.241 -1.775 1.559) 5.749 5.705 ( 10.394 0.766 2.378) 10.690 5.849 ( 11.001 -2.588 7.009) 13.298 6.177 ( 7.202 -7.555 -3.858) 11.128 6.389 ( 10.849 -8.649 5.619) 14.969 7.020 ( 7.357 2.248 -7.891) 11.021 7.217 ( 2.052 -5.895 5.054) 8.032 7.571 ( 1.068 -1.380 1.605) 2.370 7.610 ( 6.323 1.878 -1.510) 6.767 7.817 ( 0.101 -5.735 0.886) 5.803 8.074 ( -14.329 1.471 -7.414) 16.201 8.233 ( 7.009 -1.178 13.301) 15.081 9.165 ( 8.743 -1.312 -4.918) 10.117 9.370 ( -6.163 -0.326 -8.364) 10.394 9.565 ( -3.221 6.816 3.853) 8.466 9.761 ( 2.525 2.000 -0.637) 3.284 9.843 ( -11.011 4.568 6.268) 13.468 9.957 ( 8.790 1.381 0.009) 8.898 10.261 ( 7.337 -4.045 -4.356) 9.443 10.548 ( -4.631 -0.419 2.694) 5.374 10.688 ( -0.689 1.955 5.941) 6.293 10.873 ( 2.454 -11.376 -5.768) 12.988 11.060 ( 8.976 -2.341 -2.136) 9.519 11.513 ( 10.887 -2.258 2.995) 11.515 14.065 ( -0.427 1.450 0.827) 1.723 14.182 ( 0.105 -0.779 -2.763) 2.873 19.478 ( 0.632 0.299 3.246) 3.320 19.520 ( -3.764 5.021 -4.377) 7.651 19.947 ( -0.377 12.831 8.587) 15.444 20.192 ( -3.840 5.327 -4.745) 8.101 20.596 ( -9.431 3.831 -1.708) 10.321 20.821 ( -1.543 3.008 0.464) 3.412 21.695 ( -8.324 -17.553 7.180) 20.711 21.944 ( -12.189 -12.138 -7.889) 18.925 23.473 ( 18.734 0.535 3.827) 19.128 23.648 ( 15.265 -0.413 -4.050) 15.799 26.471 ( -2.430 -0.102 0.893) 2.591 26.604 ( -2.741 -0.909 0.299) 2.903 ======================= Grid point 121 (55/95) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 5.560 3.446 -2.237) 6.913 1.320 ( 7.776 10.123 9.782) 16.082 1.423 ( 0.874 12.981 -0.902) 13.042 1.733 ( 0.073 3.225 -1.223) 3.450 1.736 ( -3.271 9.742 -9.310) 13.867 1.919 ( 1.375 1.894 -2.833) 3.675 2.041 ( 6.773 3.970 9.447) 12.284 2.082 ( -0.466 -0.970 -5.416) 5.522 2.198 ( -1.119 -1.782 1.605) 2.646 2.305 ( -1.229 2.445 5.655) 6.282 2.387 ( 14.368 8.644 4.854) 17.456 2.414 ( 0.785 4.759 1.887) 5.179 2.489 ( 3.166 0.672 -1.406) 3.529 2.655 ( 1.347 0.369 4.593) 4.801 2.727 ( -3.160 -0.166 -0.491) 3.202 2.780 ( -5.898 2.015 -3.576) 7.186 2.934 ( 0.519 -3.910 1.604) 4.258 3.042 ( 2.740 1.287 -6.379) 7.061 3.121 ( -2.367 -7.450 1.507) 7.961 3.147 ( -1.912 1.293 -0.904) 2.479 3.206 ( 1.604 -0.760 -3.983) 4.360 3.366 ( -0.289 5.452 -3.543) 6.509 3.495 ( -4.075 0.362 -1.253) 4.278 3.728 ( 1.618 -3.776 -3.559) 5.435 3.948 ( 4.339 -3.938 8.217) 10.092 4.122 ( 6.420 -2.971 0.352) 7.083 4.223 ( 2.382 -1.699 -5.010) 5.801 4.347 ( 1.117 -3.522 -2.418) 4.416 4.442 ( 0.087 2.328 2.494) 3.413 4.595 ( -5.356 1.715 0.003) 5.624 4.736 ( 1.442 -0.917 2.156) 2.751 4.854 ( -4.296 -3.333 2.068) 5.817 5.339 ( 10.809 -3.627 -4.791) 12.367 5.518 ( 1.660 -0.120 3.153) 3.566 5.658 ( 10.238 -1.180 -6.567) 12.220 5.901 ( 10.532 1.411 3.175) 11.090 6.182 ( 20.333 -2.531 5.695) 21.266 6.345 ( 8.015 -6.455 -5.671) 11.751 6.796 ( 18.799 -8.899 6.875) 21.906 7.124 ( 6.524 4.115 -0.800) 7.755 7.337 ( 6.497 -4.675 -2.589) 8.412 7.567 ( -1.670 -0.423 -1.710) 2.427 7.730 ( 5.458 -0.574 0.762) 5.541 7.839 ( -5.286 -2.438 4.014) 7.071 7.956 ( 5.643 -4.013 -5.919) 9.110 8.350 ( 5.218 3.774 12.535) 14.092 8.966 ( -22.586 3.710 -9.049) 24.612 9.271 ( -11.709 5.644 -0.088) 12.998 9.502 ( -3.800 -0.442 0.113) 3.827 9.767 ( 13.393 -1.824 1.012) 13.555 9.820 ( 2.809 0.013 -3.258) 4.302 10.107 ( 5.851 -1.107 -2.545) 6.475 10.321 ( 1.026 2.919 3.150) 4.416 10.576 ( 5.458 0.570 0.301) 5.496 10.696 ( 1.012 -7.406 5.503) 9.282 11.000 ( 4.461 0.891 -3.142) 5.528 11.340 ( 16.451 -3.251 -6.382) 17.942 11.715 ( 7.826 -5.076 5.437) 10.797 14.026 ( -0.874 0.839 -0.489) 1.307 14.226 ( 2.644 -0.424 0.035) 2.678 19.418 ( -2.635 2.984 -3.049) 5.014 19.489 ( 0.641 0.212 4.179) 4.233 19.808 ( -2.256 11.584 6.371) 13.412 20.073 ( -4.755 1.679 -5.375) 7.371 20.361 ( -10.114 5.382 -4.884) 12.455 20.742 ( -1.494 6.801 3.469) 7.780 21.610 ( -16.483 -13.351 7.496) 22.497 21.765 ( -17.706 -9.867 -7.238) 21.523 23.902 ( 24.159 -3.121 2.551) 24.493 23.999 ( 21.032 -0.758 -2.592) 21.205 26.441 ( -1.735 -1.352 -1.829) 2.860 26.528 ( -6.161 -0.332 1.956) 6.472 ======================= Grid point 126 (56/95) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 0.453 0.000 2.749) 2.786 1.574 ( 4.148 0.000 3.010) 5.125 1.693 ( -3.545 -0.000 4.910) 6.056 1.759 ( 6.775 0.000 0.687) 6.810 1.863 ( -10.950 -0.000 4.798) 11.955 1.981 ( -4.246 -0.000 -4.261) 6.015 2.131 ( 1.800 0.000 -5.859) 6.129 2.262 ( 8.024 0.000 4.205) 9.059 2.273 ( 0.614 0.000 -7.381) 7.407 2.328 ( 2.852 0.000 8.249) 8.728 2.367 ( 1.633 0.000 -4.469) 4.758 2.488 ( -1.661 -0.000 12.662) 12.770 2.515 ( -1.106 -0.000 1.246) 1.666 2.649 ( -4.311 -0.000 -0.548) 4.346 2.680 ( -3.989 -0.000 -7.369) 8.379 2.812 ( 6.991 0.000 6.322) 9.425 2.910 ( 2.735 0.000 -2.592) 3.768 3.039 ( -3.866 -0.000 1.936) 4.324 3.168 ( 4.362 0.000 -13.901) 14.569 3.291 ( -1.576 -0.000 0.362) 1.617 3.462 ( -5.029 -0.000 0.061) 5.029 3.466 ( 1.616 0.000 1.374) 2.121 3.587 ( -2.498 -0.000 2.889) 3.819 3.827 ( -5.109 -0.000 1.809) 5.420 3.837 ( 2.091 0.000 -7.646) 7.927 3.886 ( 0.258 0.000 -1.768) 1.787 4.018 ( 1.719 0.000 1.290) 2.149 4.042 ( -1.751 -0.000 -3.922) 4.295 4.389 ( -10.781 -0.000 6.534) 12.606 4.617 ( 4.689 0.000 2.934) 5.531 4.703 ( -4.474 -0.000 9.833) 10.803 4.873 ( -0.690 -0.000 -9.785) 9.809 5.146 ( -2.495 -0.000 -3.591) 4.373 5.254 ( -0.762 -0.000 -6.282) 6.328 5.609 ( 2.677 0.000 7.554) 8.014 5.692 ( -11.827 -0.000 -10.748) 15.981 5.763 ( -19.695 -0.000 3.758) 20.051 5.833 ( -3.869 -0.000 0.891) 3.970 6.441 ( -14.815 -0.000 17.346) 22.812 6.820 ( 5.124 0.000 -16.972) 17.728 7.369 ( 6.628 0.000 -8.316) 10.634 7.411 ( -16.696 -0.000 12.975) 21.145 7.659 ( -6.467 -0.000 -4.381) 7.811 7.704 ( -7.209 -0.000 2.580) 7.657 7.820 ( 5.015 0.000 4.410) 6.678 8.499 ( 10.663 0.000 7.449) 13.007 9.268 ( -21.915 -0.000 -5.709) 22.647 9.435 ( 3.726 0.000 -13.304) 13.816 9.611 ( 4.689 0.000 3.459) 5.826 9.697 ( 1.639 0.000 1.735) 2.387 9.998 ( -6.633 -0.000 -1.106) 6.724 10.000 ( -0.280 -0.000 -5.326) 5.334 10.070 ( 17.239 0.000 3.536) 17.598 10.282 ( -8.621 -0.000 2.870) 9.086 10.661 ( -9.193 -0.000 8.846) 12.758 10.930 ( 13.547 0.000 -1.287) 13.608 11.143 ( -5.855 -0.000 -13.219) 14.458 11.324 ( -16.768 -0.000 12.160) 20.714 13.968 ( 0.137 0.000 0.969) 0.979 14.303 ( -0.722 -0.000 -2.230) 2.344 19.431 ( 2.372 0.000 2.354) 3.341 19.753 ( -1.338 -0.000 -5.740) 5.894 20.140 ( 7.281 0.000 4.637) 8.633 20.443 ( 3.547 0.000 -1.321) 3.785 20.756 ( 3.966 0.000 2.799) 4.855 20.880 ( 2.325 0.000 -3.186) 3.944 21.200 ( 3.663 0.000 9.933) 10.587 21.616 ( 11.169 0.000 -8.812) 14.226 23.521 ( -13.238 -0.000 -2.095) 13.403 23.602 ( -15.169 -0.000 0.572) 15.180 26.514 ( 0.480 0.000 2.893) 2.932 26.544 ( 4.504 0.000 -1.957) 4.911 ======================= Grid point 128 (57/95) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 4.296 13.152 8.949) 16.478 1.556 ( -2.778 10.223 7.714) 13.104 1.666 ( 0.189 -5.170 4.019) 6.551 1.719 ( -2.309 -1.273 0.776) 2.749 1.919 ( -0.425 0.044 -0.575) 0.716 1.940 ( 2.541 -1.554 -4.854) 5.695 2.133 ( -5.617 -5.800 -9.940) 12.806 2.290 ( 0.242 0.443 -9.295) 9.309 2.308 ( -0.539 2.585 3.168) 4.124 2.332 ( 0.526 3.981 6.327) 7.494 2.418 ( -0.913 4.678 6.593) 8.135 2.426 ( 1.715 0.660 -0.519) 1.910 2.488 ( -1.440 -3.925 5.823) 7.169 2.653 ( 1.555 0.332 -3.342) 3.701 2.670 ( 2.496 -6.064 3.174) 7.285 2.897 ( -6.786 2.528 2.455) 7.647 2.945 ( 5.795 2.414 6.579) 9.093 2.977 ( 3.329 -0.939 0.880) 3.569 3.191 ( -0.482 3.280 -12.760) 13.183 3.228 ( -4.409 0.267 -5.538) 7.084 3.370 ( 0.215 9.410 1.514) 9.533 3.483 ( 3.401 0.108 1.565) 3.745 3.592 ( -1.022 -0.411 0.629) 1.269 3.737 ( -1.702 5.162 -3.878) 6.677 3.809 ( -1.422 -0.057 -4.066) 4.308 3.932 ( 3.991 0.010 -3.919) 5.594 4.018 ( -3.041 -4.353 1.825) 5.614 4.097 ( 0.108 -5.911 -1.606) 6.126 4.319 ( 0.588 -3.452 4.885) 6.010 4.628 ( -3.426 -0.225 6.858) 7.669 4.727 ( 6.691 0.789 -7.074) 9.770 4.800 ( -4.118 -1.485 -0.724) 4.437 5.151 ( 1.369 1.646 0.401) 2.178 5.314 ( 5.034 -3.333 -3.522) 6.990 5.492 ( -10.599 0.274 -1.048) 10.655 5.567 ( 6.123 0.398 -5.201) 8.044 5.658 ( 1.625 -2.148 5.736) 6.337 5.906 ( 5.585 -2.815 -3.241) 7.044 6.232 ( -8.766 -1.147 15.301) 17.672 6.941 ( 9.033 1.161 -15.260) 17.771 7.163 ( -10.442 -1.522 11.948) 15.941 7.493 ( 4.483 -1.623 -2.972) 5.618 7.598 ( 0.293 -2.811 -2.203) 3.584 7.615 ( -1.787 0.013 -0.481) 1.850 7.988 ( 11.554 -0.409 12.851) 17.286 8.488 ( -16.819 0.741 -10.858) 20.033 8.991 ( -0.102 -0.536 9.382) 9.397 9.464 ( -1.190 0.203 -14.126) 14.177 9.693 ( 6.016 2.677 1.327) 6.717 9.734 ( 2.447 -0.266 2.810) 3.736 9.935 ( 0.493 2.779 -1.026) 3.003 9.970 ( -0.856 -1.983 -5.767) 6.159 10.174 ( -2.994 1.302 3.680) 4.919 10.437 ( 15.972 -4.386 -5.638) 17.496 10.535 ( -5.161 -2.985 9.562) 11.269 10.949 ( -11.223 2.582 -1.213) 11.580 11.025 ( -14.122 -2.395 5.066) 15.193 11.255 ( 16.515 0.466 -0.818) 16.542 14.009 ( 3.600 -0.584 4.471) 5.769 14.256 ( -3.733 0.739 -5.886) 7.009 19.466 ( 1.293 0.024 3.617) 3.841 19.700 ( -3.182 1.811 -7.107) 7.994 20.218 ( 3.656 5.577 7.013) 9.677 20.437 ( -1.567 4.749 -2.925) 5.793 20.778 ( -0.946 2.068 2.017) 3.040 20.891 ( 0.909 2.722 -2.370) 3.722 21.289 ( -0.467 -10.856 9.667) 14.544 21.754 ( 0.571 -6.120 -8.898) 10.814 23.387 ( 0.586 3.756 0.659) 3.858 23.459 ( -0.668 -3.033 -2.392) 3.920 26.507 ( -1.469 -0.136 2.435) 2.847 26.597 ( 1.209 -0.321 -1.364) 1.851 ======================= Grid point 129 (58/95) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 1.852 13.206 5.220) 14.321 1.483 ( 5.635 10.676 10.050) 15.708 1.647 ( -1.966 3.486 -4.693) 6.168 1.785 ( 3.382 3.621 0.268) 4.962 1.855 ( -1.012 -5.366 1.834) 5.760 1.998 ( -1.145 -7.410 -2.355) 7.859 2.091 ( -0.668 -1.394 -7.462) 7.621 2.197 ( -3.869 6.537 -0.084) 7.597 2.234 ( -2.590 7.369 2.981) 8.360 2.326 ( -1.438 -1.403 2.887) 3.517 2.368 ( 1.308 1.198 -1.154) 2.116 2.449 ( 0.438 1.415 2.149) 2.611 2.577 ( 3.619 -4.126 5.138) 7.518 2.665 ( -0.660 3.553 2.356) 4.313 2.711 ( -3.367 -1.787 -2.660) 4.648 2.798 ( -1.682 -4.249 1.099) 4.700 2.965 ( 0.428 4.891 3.112) 5.813 3.039 ( 3.479 5.566 1.610) 6.758 3.122 ( -0.374 3.810 -6.938) 7.925 3.178 ( -0.393 -0.045 -3.943) 3.963 3.318 ( 1.868 7.245 0.463) 7.496 3.532 ( 2.747 3.844 -4.453) 6.492 3.599 ( -0.525 -1.607 -0.788) 1.865 3.659 ( 0.410 4.556 -0.907) 4.664 3.788 ( 0.558 1.505 1.618) 2.279 3.986 ( 1.044 -1.558 1.099) 2.173 4.067 ( 2.335 -5.720 -3.827) 7.267 4.146 ( -0.178 -8.946 -3.687) 9.677 4.406 ( 5.125 -1.812 3.751) 6.604 4.620 ( 1.731 -0.449 3.442) 3.879 4.719 ( -5.332 -3.786 3.977) 7.653 4.818 ( 1.903 1.691 0.063) 2.547 5.230 ( 5.000 1.432 -7.797) 9.372 5.359 ( 1.951 -2.545 -6.712) 7.439 5.496 ( 6.329 -2.622 3.106) 7.522 5.712 ( 9.308 0.006 3.309) 9.878 5.823 ( 13.515 -0.507 4.389) 14.219 6.037 ( 4.245 -6.558 -10.408) 13.014 6.263 ( 11.563 -4.174 11.628) 16.922 7.051 ( 4.165 0.958 -4.318) 6.075 7.135 ( 5.042 -2.564 -0.946) 5.735 7.548 ( 1.414 -1.150 1.850) 2.596 7.640 ( 5.679 1.174 -1.040) 5.892 7.711 ( 4.855 -4.718 2.683) 7.282 8.085 ( -20.312 -0.016 -7.620) 21.695 8.219 ( 10.986 -0.276 15.308) 18.844 9.136 ( 9.975 -1.645 -2.964) 10.535 9.357 ( -9.197 -0.648 -9.565) 13.285 9.717 ( -1.546 8.766 1.626) 9.048 9.806 ( 6.915 2.840 -2.629) 7.925 9.903 ( -4.680 0.928 -1.700) 5.065 9.976 ( -0.020 -0.047 6.748) 6.749 10.189 ( 7.328 -3.217 -5.599) 9.767 10.489 ( -4.989 -4.612 7.572) 10.173 10.622 ( -9.913 -7.354 4.268) 13.060 10.814 ( 11.266 4.212 -5.553) 13.248 10.990 ( 7.383 -4.589 -1.171) 8.772 11.505 ( 10.882 0.803 3.285) 11.396 14.087 ( 3.045 0.797 4.047) 5.128 14.172 ( -3.059 -0.258 -5.490) 6.290 19.482 ( 0.440 0.082 4.639) 4.660 19.601 ( -4.592 3.187 -6.486) 8.562 20.176 ( -0.316 10.136 7.409) 12.559 20.310 ( -5.744 6.257 -4.337) 9.537 20.677 ( -6.452 5.144 0.382) 8.260 20.872 ( -0.167 2.151 -0.626) 2.247 21.364 ( -6.855 -16.302 7.315) 19.137 21.731 ( -10.594 -9.477 -7.642) 16.138 23.498 ( 14.915 1.971 0.948) 15.074 23.623 ( 15.032 -1.983 -2.160) 15.315 26.469 ( -2.817 -0.141 1.089) 3.023 26.589 ( -2.511 -0.606 -0.092) 2.584 ======================= Grid point 130 (59/95) ======================= q-point: (-0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -2.729 5.606 -3.247) 7.030 1.499 ( 0.295 7.520 3.621) 8.352 1.565 ( 3.062 3.825 3.871) 6.244 1.790 ( 0.518 1.251 1.721) 2.190 1.913 ( -8.611 6.725 -4.621) 11.863 1.953 ( 5.230 2.331 -5.605) 8.013 2.046 ( -2.588 -1.645 -0.387) 3.091 2.131 ( -0.923 5.644 0.984) 5.803 2.200 ( 6.066 3.082 2.931) 7.409 2.320 ( -0.541 -0.071 7.202) 7.222 2.399 ( 1.722 -0.543 -5.238) 5.541 2.477 ( 1.331 -1.638 1.169) 2.413 2.575 ( 1.064 3.146 3.754) 5.012 2.661 ( -3.587 -4.160 0.056) 5.493 2.724 ( 2.291 -3.245 0.323) 3.986 2.778 ( -3.717 -1.984 0.656) 4.265 2.927 ( 3.010 6.542 3.621) 8.061 3.022 ( -0.305 1.559 -1.896) 2.473 3.103 ( 2.144 4.955 -4.078) 6.766 3.187 ( 1.540 1.330 -1.109) 2.317 3.259 ( -0.804 6.867 0.736) 6.953 3.521 ( -0.978 5.125 -0.864) 5.289 3.538 ( -0.357 7.904 -5.123) 9.426 3.642 ( -0.530 -4.304 -2.082) 4.810 3.873 ( 3.219 -4.113 6.918) 8.668 4.053 ( 5.647 -4.411 0.645) 7.195 4.159 ( 1.721 -6.396 -3.005) 7.273 4.274 ( 6.471 -2.403 -3.736) 7.849 4.486 ( 2.857 2.183 2.153) 4.191 4.609 ( -1.899 0.085 1.179) 2.237 4.737 ( 0.910 -0.907 -2.031) 2.404 4.793 ( -2.648 -1.167 7.564) 8.099 5.279 ( 6.536 -2.234 -6.073) 9.197 5.503 ( 1.631 -1.639 1.146) 2.581 5.598 ( 6.733 -4.657 -3.854) 9.048 5.913 ( 7.790 -0.476 0.158) 7.806 6.125 ( 21.423 -4.007 5.395) 22.453 6.265 ( 16.477 -1.095 -6.232) 17.650 6.633 ( 18.317 -7.698 6.202) 20.814 7.171 ( 9.744 0.735 -6.059) 11.498 7.268 ( 7.038 -2.000 -0.655) 7.346 7.546 ( -3.013 -1.622 -0.453) 3.452 7.728 ( 1.281 -0.744 3.316) 3.632 7.800 ( -4.235 -0.963 0.081) 4.344 7.897 ( 7.524 -1.964 -0.180) 7.779 8.392 ( 7.118 1.065 12.478) 14.405 9.019 ( -20.512 2.130 -9.329) 22.635 9.352 ( -4.337 0.981 -5.139) 6.796 9.516 ( -7.009 2.619 0.788) 7.524 9.762 ( 0.371 2.431 5.030) 5.599 9.886 ( 7.546 5.699 -4.643) 10.534 10.076 ( 4.112 -1.901 -0.054) 4.530 10.368 ( 5.110 1.229 4.062) 6.643 10.486 ( 5.474 -7.650 -2.279) 9.679 10.560 ( -3.711 -7.721 4.861) 9.850 11.032 ( 12.383 2.278 -4.838) 13.489 11.277 ( 16.642 -3.615 -3.600) 17.407 11.648 ( 5.737 -1.538 6.164) 8.560 14.051 ( -2.133 1.630 -2.996) 4.023 14.212 ( 3.507 -0.957 2.225) 4.262 19.480 ( -4.481 3.031 -4.304) 6.913 19.491 ( 0.350 0.185 5.047) 5.062 20.038 ( -3.238 11.946 6.165) 13.828 20.135 ( -7.127 4.435 -5.177) 9.863 20.472 ( -9.016 6.571 -2.820) 11.507 20.848 ( 0.671 3.966 1.230) 4.206 21.339 ( -12.390 -14.615 6.212) 20.142 21.567 ( -16.515 -10.443 -6.137) 20.481 23.852 ( 22.335 -1.915 0.583) 22.424 23.979 ( 21.000 -1.261 -1.101) 21.066 26.419 ( -2.998 -0.916 -0.923) 3.268 26.521 ( -5.368 -0.340 1.466) 5.575 ======================= Grid point 131 (60/95) ======================= q-point: (-0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -0.542 1.407 -3.008) 3.365 1.428 ( 0.784 4.243 -0.103) 4.316 1.639 ( 2.351 0.462 0.897) 2.558 1.652 ( -7.434 6.543 -1.081) 9.963 1.798 ( 4.924 6.003 3.719) 8.609 1.993 ( -3.559 0.027 -4.320) 5.597 2.030 ( 5.087 4.942 -6.193) 9.416 2.136 ( 2.651 -1.692 4.995) 5.903 2.274 ( 2.996 1.591 1.518) 3.716 2.297 ( 0.663 0.830 3.268) 3.436 2.404 ( -2.321 -1.521 -0.054) 2.775 2.452 ( -6.194 -1.333 -2.477) 6.803 2.555 ( -2.605 1.275 3.565) 4.596 2.668 ( 4.618 0.550 -0.401) 4.668 2.713 ( -2.094 3.020 -2.240) 4.304 2.839 ( 1.215 -9.493 4.419) 10.541 2.951 ( 6.170 7.553 6.892) 11.942 3.030 ( -0.126 -3.853 0.080) 3.856 3.076 ( -0.579 3.721 -3.095) 4.874 3.160 ( 0.507 4.602 -0.673) 4.678 3.252 ( 3.817 0.417 -2.364) 4.509 3.420 ( -2.965 7.495 -1.442) 8.188 3.470 ( -0.126 3.723 -1.819) 4.145 3.677 ( -2.957 -5.561 -1.279) 6.427 3.972 ( 4.474 -4.444 2.564) 6.807 4.178 ( -1.165 -5.587 1.000) 5.794 4.256 ( 3.529 0.381 -0.929) 3.669 4.333 ( 2.355 0.680 -2.986) 3.863 4.517 ( 3.543 2.982 -0.625) 4.673 4.618 ( 4.475 1.921 -4.269) 6.476 4.732 ( -3.623 1.045 6.163) 7.225 4.776 ( 1.770 -2.767 -1.484) 3.604 5.477 ( 3.525 -4.353 1.834) 5.894 5.497 ( 3.719 -2.034 0.912) 4.336 5.772 ( 6.071 -5.254 -4.281) 9.099 6.026 ( 3.643 -1.264 -1.790) 4.251 6.585 ( 22.426 0.917 2.132) 22.546 6.605 ( 22.409 -1.271 -1.608) 22.503 6.997 ( 13.335 -7.455 0.781) 15.298 7.248 ( 2.286 4.905 7.166) 8.980 7.478 ( 9.237 -2.482 -3.797) 10.290 7.543 ( 1.015 -2.762 -4.306) 5.216 7.679 ( -3.038 -3.322 6.374) 7.803 7.834 ( 4.688 0.109 -0.261) 4.696 8.064 ( 5.261 -1.170 -1.763) 5.670 8.448 ( -5.230 1.799 7.020) 8.937 8.591 ( -14.168 2.671 -10.544) 17.862 8.975 ( -25.133 3.837 4.263) 25.779 9.444 ( -1.738 3.091 -0.810) 3.637 9.853 ( 2.144 0.641 -2.027) 3.019 10.055 ( 14.961 -0.976 -4.616) 15.687 10.113 ( 0.758 -1.429 1.606) 2.280 10.420 ( 2.162 1.908 12.564) 12.891 10.637 ( 3.866 -7.874 -2.282) 9.064 10.705 ( 8.312 -4.230 -5.185) 10.670 11.127 ( 3.295 6.906 -2.175) 7.955 11.596 ( 14.739 -2.619 -4.896) 15.750 11.785 ( 4.963 -4.601 6.342) 9.274 14.026 ( 0.405 0.110 0.255) 0.491 14.267 ( 1.789 0.068 0.025) 1.791 19.386 ( -2.906 1.386 -3.462) 4.728 19.507 ( 0.937 0.021 6.470) 6.538 19.864 ( -3.608 10.786 2.584) 11.663 19.992 ( -4.793 0.825 -3.917) 6.245 20.263 ( -6.581 5.722 -4.510) 9.818 20.822 ( 1.590 6.264 4.797) 8.048 21.220 ( -12.855 -9.770 2.396) 16.323 21.366 ( -14.857 -9.179 -4.392) 18.008 24.263 ( 18.508 -3.315 0.278) 18.805 24.338 ( 16.411 -0.338 -0.305) 16.418 26.377 ( -3.504 -1.532 -2.439) 4.536 26.421 ( -4.852 -0.054 2.527) 5.471 ======================= Grid point 137 (61/95) ======================= q-point: ( 0.56 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -4.703 -0.000 2.356) 5.260 1.616 ( -3.557 -0.000 1.694) 3.940 1.667 ( 4.939 0.000 7.024) 8.586 1.702 ( 6.151 0.000 7.092) 9.388 1.841 ( -4.229 -0.000 0.979) 4.340 1.963 ( 1.522 0.000 -4.863) 5.096 2.036 ( 3.574 0.000 -8.048) 8.806 2.259 ( -1.336 -0.000 -8.091) 8.201 2.278 ( -2.895 -0.000 2.369) 3.741 2.329 ( -0.967 -0.000 8.973) 9.025 2.404 ( -3.921 -0.000 -2.739) 4.783 2.447 ( -0.702 -0.000 7.814) 7.845 2.522 ( 4.734 0.000 1.601) 4.998 2.712 ( -11.972 -0.000 -0.013) 11.972 2.721 ( 3.010 0.000 4.120) 5.103 2.730 ( 4.842 0.000 -4.916) 6.901 2.965 ( -3.239 -0.000 1.165) 3.443 3.127 ( 7.296 0.000 8.732) 11.379 3.166 ( -0.186 -0.000 -5.365) 5.369 3.176 ( -1.371 -0.000 -14.175) 14.241 3.470 ( 3.443 0.000 -0.096) 3.444 3.499 ( 0.396 0.000 0.904) 0.987 3.588 ( 0.995 0.000 2.299) 2.505 3.782 ( -0.554 -0.000 -7.232) 7.253 3.798 ( 3.584 0.000 0.818) 3.676 3.960 ( -8.301 -0.000 3.544) 9.026 3.962 ( 0.985 0.000 0.578) 1.142 4.060 ( 7.531 0.000 -7.820) 10.857 4.383 ( 7.450 0.000 7.066) 10.268 4.617 ( 1.644 0.000 2.865) 3.303 4.676 ( -6.285 -0.000 3.045) 6.983 4.842 ( 2.655 0.000 -1.459) 3.029 5.263 ( 11.474 0.000 -7.867) 13.912 5.316 ( -6.405 -0.000 -7.035) 9.514 5.464 ( 7.324 0.000 4.431) 8.560 5.711 ( 9.199 0.000 2.379) 9.502 5.819 ( 12.861 0.000 4.305) 13.562 5.969 ( 5.800 0.000 -11.898) 13.236 6.227 ( 10.430 0.000 13.342) 16.935 7.057 ( -0.359 -0.000 2.616) 2.640 7.115 ( 9.388 0.000 -9.360) 13.257 7.532 ( 0.387 0.000 1.744) 1.786 7.657 ( 4.851 0.000 -0.325) 4.862 7.659 ( 8.777 0.000 3.275) 9.368 8.083 ( -22.156 -0.000 -7.419) 23.366 8.218 ( 12.166 0.000 15.738) 19.892 9.117 ( 10.062 0.000 -2.003) 10.260 9.351 ( -10.766 -0.000 -10.609) 15.115 9.841 ( 9.582 0.000 -0.916) 9.626 9.849 ( 7.361 0.000 2.498) 7.774 9.902 ( -3.331 -0.000 -4.448) 5.557 9.935 ( -7.831 -0.000 0.870) 7.880 10.159 ( 2.984 0.000 -3.825) 4.851 10.430 ( -1.209 -0.000 6.931) 7.035 10.553 ( -9.309 -0.000 6.827) 11.544 10.899 ( 3.198 0.000 -2.154) 3.855 10.904 ( 11.489 0.000 -3.072) 11.893 11.517 ( 10.997 0.000 3.564) 11.560 14.094 ( 5.330 0.000 6.378) 8.312 14.170 ( -5.215 -0.000 -7.642) 9.251 19.482 ( 0.409 0.000 5.157) 5.173 19.632 ( -4.851 -0.000 -7.320) 8.781 20.280 ( -0.299 -0.000 6.808) 6.815 20.378 ( -6.974 -0.000 -4.737) 8.431 20.757 ( -3.213 -0.000 2.418) 4.021 20.893 ( -2.032 -0.000 -2.849) 3.499 21.172 ( -5.737 -0.000 9.162) 10.810 21.632 ( -10.092 -0.000 -7.965) 12.856 23.527 ( 12.107 0.000 -2.492) 12.361 23.594 ( 16.455 0.000 0.954) 16.483 26.467 ( -2.937 -0.000 1.121) 3.144 26.583 ( -2.415 -0.000 -0.181) 2.422 ======================= Grid point 139 (62/95) ======================= q-point: (-0.33 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -8.574 3.719 -2.091) 9.577 1.561 ( -8.741 0.460 0.548) 8.770 1.622 ( 2.224 1.655 2.162) 3.516 1.797 ( 2.914 -1.096 2.887) 4.246 1.957 ( 2.755 3.385 5.232) 6.814 1.985 ( 5.522 1.077 -6.185) 8.361 2.068 ( -3.103 -1.517 -1.032) 3.605 2.213 ( -1.894 4.179 0.136) 4.590 2.293 ( 4.045 3.712 1.912) 5.813 2.323 ( 1.611 1.099 6.880) 7.151 2.362 ( -1.688 -3.326 -4.249) 5.654 2.444 ( -0.061 -0.927 3.684) 3.799 2.503 ( -7.273 -5.331 0.285) 9.022 2.605 ( 0.879 -0.343 1.541) 1.807 2.732 ( -2.628 -2.127 1.130) 3.565 2.778 ( 2.707 5.169 -4.198) 7.188 2.898 ( -3.282 -3.874 -3.321) 6.067 3.137 ( -0.131 4.076 -9.579) 10.411 3.195 ( 1.707 -0.365 -1.773) 2.488 3.207 ( 2.927 3.059 6.121) 7.442 3.440 ( 2.125 9.276 -0.723) 9.544 3.541 ( 0.149 -3.355 -2.071) 3.945 3.617 ( 0.157 6.245 2.522) 6.737 3.729 ( -2.223 6.961 -1.279) 7.418 3.800 ( -1.333 -3.142 5.788) 6.719 3.921 ( 1.199 -9.313 0.543) 9.405 4.053 ( 7.622 -2.612 0.178) 8.059 4.252 ( 11.556 -0.579 -6.666) 13.354 4.525 ( 5.895 1.932 3.051) 6.913 4.602 ( -1.463 -1.031 3.372) 3.817 4.676 ( 2.360 -2.766 1.884) 4.095 4.824 ( -2.597 1.890 2.013) 3.790 5.257 ( 2.521 -0.324 -6.236) 6.734 5.468 ( 6.042 -1.392 -5.025) 7.981 5.517 ( 0.368 -2.829 2.598) 3.858 5.886 ( 3.122 -1.506 -2.529) 4.291 6.069 ( 26.112 -1.363 0.981) 26.166 6.270 ( 20.374 0.586 -2.254) 20.507 6.529 ( 18.109 -2.898 7.523) 19.822 7.164 ( 12.130 -0.620 -9.187) 15.229 7.259 ( 6.668 0.249 -0.162) 6.675 7.516 ( -3.026 -1.158 0.950) 3.376 7.702 ( -4.879 -1.076 1.641) 5.259 7.806 ( -2.156 0.677 -0.091) 2.262 7.875 ( 11.912 -0.609 4.496) 12.746 8.403 ( 6.971 0.229 11.834) 13.736 9.052 ( -20.859 1.148 -8.168) 22.431 9.314 ( 7.597 -2.496 -8.430) 11.620 9.602 ( -19.729 4.133 1.345) 20.202 9.813 ( -2.703 1.761 5.190) 6.110 9.998 ( 8.976 4.129 -1.764) 10.036 10.050 ( 9.456 -0.104 -3.243) 9.998 10.312 ( 9.230 -4.226 -6.951) 12.303 10.383 ( -5.640 -5.110 1.157) 7.698 10.453 ( 0.726 -1.094 10.806) 10.885 11.069 ( 14.134 1.322 0.854) 14.221 11.214 ( 18.177 -2.330 -6.904) 19.583 11.645 ( 3.837 0.431 6.475) 7.539 14.079 ( -3.293 0.985 -5.899) 6.827 14.195 ( 4.550 -0.633 4.987) 6.781 19.490 ( 0.268 -0.003 6.440) 6.446 19.525 ( -5.578 1.257 -6.302) 8.509 20.209 ( -8.748 2.829 -5.680) 10.807 20.218 ( -4.160 5.368 5.277) 8.600 20.614 ( -8.363 7.613 2.539) 11.591 20.863 ( -2.076 -3.069 -0.943) 3.824 21.116 ( -5.066 -6.675 4.355) 9.444 21.407 ( -16.098 -5.238 -5.656) 17.849 23.831 ( 20.331 -0.436 -1.991) 20.433 23.958 ( 21.637 -0.752 1.141) 21.680 26.407 ( -3.693 -0.339 -0.566) 3.751 26.516 ( -4.892 -0.147 1.252) 5.052 ======================= Grid point 140 (63/95) ======================= q-point: (-0.22 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -0.879 2.913 -1.944) 3.611 1.458 ( -2.499 -1.041 0.283) 2.721 1.625 ( -1.229 0.772 0.689) 1.607 1.788 ( -8.942 5.086 -1.864) 10.455 1.855 ( 2.498 0.693 4.019) 4.783 2.007 ( -0.394 2.056 -2.382) 3.172 2.128 ( 5.083 2.598 -0.239) 5.714 2.141 ( -2.825 1.100 -0.846) 3.148 2.287 ( -0.452 1.894 4.270) 4.693 2.323 ( -0.185 1.663 0.649) 1.795 2.373 ( 0.436 -1.573 -0.092) 1.635 2.441 ( -1.902 -0.432 -0.303) 1.974 2.552 ( 1.745 -8.929 4.220) 10.029 2.591 ( -0.968 1.692 1.189) 2.283 2.699 ( -4.014 -3.145 -0.968) 5.190 2.765 ( 1.258 1.823 -1.423) 2.633 2.930 ( 1.653 -3.893 -4.047) 5.853 3.075 ( -1.635 4.179 -3.582) 5.742 3.187 ( -0.138 3.297 4.628) 5.684 3.238 ( 1.512 -0.183 -3.075) 3.432 3.374 ( 2.605 13.529 2.250) 13.960 3.523 ( -1.503 3.885 -1.881) 4.571 3.558 ( -4.274 2.195 1.165) 4.944 3.607 ( -1.416 1.013 -0.485) 1.807 3.888 ( 3.923 -4.572 2.241) 6.427 4.029 ( 0.064 -8.680 0.989) 8.736 4.255 ( 10.330 -0.469 1.638) 10.470 4.372 ( 1.682 2.782 -3.796) 4.998 4.571 ( 3.138 2.708 -0.301) 4.156 4.647 ( 4.233 0.290 -2.865) 5.120 4.716 ( 0.408 -2.009 -0.478) 2.105 4.766 ( -0.922 1.443 3.984) 4.337 5.408 ( 9.803 -2.441 -2.315) 10.364 5.466 ( -1.875 -1.236 3.200) 3.910 5.639 ( 5.497 -7.711 -3.066) 9.954 5.988 ( 4.257 -2.184 -2.577) 5.434 6.578 ( 26.759 -0.392 -0.653) 26.770 6.616 ( 18.824 0.641 0.905) 18.857 6.885 ( 16.754 -3.874 -0.698) 17.211 7.319 ( 2.923 2.603 9.269) 10.062 7.454 ( 13.359 -0.337 -6.590) 14.900 7.493 ( 0.146 -2.053 -6.110) 6.447 7.612 ( -2.987 -3.461 7.302) 8.615 7.848 ( 4.499 1.012 1.176) 4.759 8.060 ( 6.305 0.484 1.117) 6.421 8.463 ( -4.547 0.039 5.807) 7.376 8.623 ( -17.783 0.985 -9.669) 20.266 9.034 ( -28.372 2.309 3.134) 28.638 9.517 ( 3.355 3.543 -5.490) 7.345 9.848 ( 5.458 -1.303 6.758) 8.784 10.094 ( 6.439 5.764 -8.848) 12.368 10.108 ( 2.287 0.744 6.373) 6.811 10.449 ( 0.579 -7.590 -0.943) 7.670 10.457 ( 4.506 -1.436 7.356) 8.745 10.598 ( 11.285 -6.456 -8.007) 15.269 11.250 ( 6.105 5.206 -0.369) 8.032 11.550 ( 16.185 -2.108 -5.793) 17.319 11.717 ( 4.558 -2.282 7.939) 9.435 14.034 ( -0.534 0.592 -2.164) 2.306 14.266 ( 2.445 -0.165 2.080) 3.214 19.414 ( -4.492 1.340 -4.538) 6.525 19.504 ( 0.627 -0.299 6.976) 7.011 20.027 ( -7.050 3.059 -7.182) 10.518 20.061 ( -5.642 8.329 5.404) 11.419 20.379 ( -9.037 6.259 -0.696) 11.015 20.845 ( -5.029 -4.538 3.836) 7.785 21.099 ( -1.796 -1.751 -1.070) 2.727 21.195 ( -12.017 -8.019 -3.037) 14.763 24.209 ( 18.597 -2.124 -1.565) 18.783 24.332 ( 17.619 -0.342 1.347) 17.673 26.350 ( -3.064 -1.120 -2.224) 3.948 26.423 ( -5.078 0.120 2.558) 5.687 ======================= Grid point 141 (64/95) ======================= q-point: (-0.11 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.538 2.971 0.533) 3.066 1.467 ( 1.439 0.588 -3.117) 3.483 1.568 ( -4.440 1.146 0.042) 4.586 1.617 ( -2.837 1.502 0.892) 3.331 1.927 ( 1.229 -2.803 1.467) 3.394 1.984 ( 2.923 3.814 2.670) 5.497 2.071 ( -5.173 -0.951 -2.950) 6.030 2.131 ( -3.202 -2.415 2.018) 4.490 2.282 ( 1.592 2.218 -1.380) 3.059 2.293 ( -2.838 -1.439 -1.719) 3.617 2.360 ( -2.322 2.707 -2.458) 4.331 2.407 ( 1.528 2.122 3.552) 4.411 2.581 ( 1.377 2.733 2.701) 4.082 2.650 ( -3.949 -2.329 -2.258) 5.110 2.690 ( 3.996 -5.185 2.137) 6.886 2.780 ( -0.007 -3.946 2.906) 4.900 3.000 ( 2.183 -3.709 -3.054) 5.277 3.030 ( -0.665 -0.737 -0.461) 1.094 3.150 ( -0.701 4.058 3.693) 5.531 3.228 ( -0.458 4.600 -3.570) 5.841 3.343 ( 3.065 3.257 4.691) 6.481 3.431 ( -0.764 6.663 -1.633) 6.903 3.486 ( -1.187 3.128 -1.018) 3.497 3.561 ( -5.496 -1.502 -1.019) 5.788 4.026 ( 6.172 -4.825 -0.483) 7.849 4.083 ( -0.804 -4.776 0.700) 4.893 4.292 ( -2.031 3.492 -2.127) 4.565 4.406 ( 2.699 1.043 -1.482) 3.251 4.580 ( 1.962 1.349 -2.062) 3.149 4.686 ( -0.539 1.555 0.686) 1.783 4.715 ( 0.708 0.041 0.598) 0.927 4.799 ( 1.189 -0.796 -1.132) 1.825 5.437 ( -1.370 -0.905 6.983) 7.173 5.618 ( 8.794 -2.244 -4.598) 10.174 5.826 ( 6.109 -5.354 -3.234) 8.743 6.042 ( -0.025 -1.300 -0.074) 1.302 6.919 ( 12.194 0.978 4.548) 13.051 6.979 ( 17.488 -1.704 -0.286) 17.574 7.158 ( 7.253 -2.047 -4.176) 8.616 7.260 ( -9.078 1.388 5.228) 10.567 7.498 ( 4.088 0.452 -4.327) 5.970 7.585 ( 0.388 0.833 -0.925) 1.303 7.725 ( 6.741 -1.713 9.563) 11.825 7.936 ( 6.141 1.042 0.426) 6.244 8.082 ( -1.147 -0.026 -2.658) 2.895 8.191 ( -9.583 -0.608 -3.358) 10.172 8.474 ( -26.124 0.965 6.005) 26.823 8.642 ( 4.738 -0.954 -9.619) 10.765 9.489 ( 0.551 6.231 0.167) 6.258 9.866 ( -2.829 2.539 3.348) 5.066 10.141 ( 1.567 3.040 2.509) 4.242 10.267 ( 11.178 -7.028 -5.107) 14.156 10.401 ( -4.551 0.752 15.049) 15.740 10.642 ( 4.282 -8.525 -8.588) 12.836 10.810 ( 6.847 -2.552 -8.019) 10.848 11.196 ( -3.463 7.017 2.156) 8.116 11.797 ( 7.932 -0.982 -1.878) 8.211 11.828 ( 3.824 -1.504 3.081) 5.136 14.043 ( 1.476 -0.351 2.091) 2.584 14.284 ( -0.374 0.506 -1.338) 1.479 19.345 ( -2.012 0.304 -3.096) 3.705 19.522 ( 0.387 -0.571 6.325) 6.363 19.885 ( -3.667 7.542 0.360) 8.394 19.923 ( -3.097 0.011 -2.437) 3.941 20.203 ( -5.162 2.759 -2.862) 6.515 20.759 ( -9.279 -5.985 7.353) 13.266 21.070 ( -2.046 -3.646 -5.552) 6.950 21.180 ( 5.543 2.547 -0.456) 6.118 24.486 ( 8.613 -2.329 -1.233) 9.007 24.556 ( 6.569 0.973 1.356) 6.778 26.310 ( -2.094 0.202 -1.480) 2.573 26.364 ( -0.957 -0.981 1.565) 2.080 ======================= Grid point 148 (65/95) ======================= q-point: ( 0.67 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -0.888 -0.000 -0.753) 1.164 1.437 ( -3.915 -0.000 0.533) 3.951 1.647 ( -0.583 -0.000 0.381) 0.696 1.786 ( -2.894 -0.000 0.457) 2.930 1.918 ( -6.457 -0.000 0.980) 6.531 2.005 ( -0.835 -0.000 2.647) 2.776 2.114 ( 0.371 0.000 -4.420) 4.436 2.225 ( -7.500 -0.000 -1.284) 7.609 2.293 ( 9.625 0.000 6.670) 11.710 2.313 ( -4.443 -0.000 -1.231) 4.610 2.363 ( 1.071 0.000 4.393) 4.522 2.440 ( 2.850 0.000 -0.485) 2.891 2.468 ( 2.512 0.000 3.070) 3.967 2.625 ( -0.052 -0.000 -2.533) 2.533 2.646 ( -4.956 -0.000 1.962) 5.330 2.797 ( -2.768 -0.000 -2.752) 3.903 2.881 ( 3.748 0.000 -6.810) 7.773 3.142 ( -1.964 -0.000 -9.460) 9.661 3.191 ( -1.473 -0.000 -1.039) 1.803 3.229 ( -1.571 -0.000 8.601) 8.743 3.520 ( 2.054 0.000 -2.728) 3.415 3.544 ( 1.667 0.000 -1.237) 2.076 3.610 ( -7.279 -0.000 2.482) 7.691 3.660 ( -3.378 -0.000 4.145) 5.347 3.801 ( 3.078 0.000 1.008) 3.239 3.934 ( 3.733 0.000 1.862) 4.171 4.248 ( 12.084 0.000 1.350) 12.159 4.405 ( 2.797 0.000 -3.249) 4.287 4.621 ( 4.530 0.000 0.268) 4.538 4.622 ( 1.600 0.000 -0.544) 1.690 4.694 ( 2.602 0.000 -1.173) 2.854 4.787 ( -1.995 -0.000 2.005) 2.829 5.385 ( 11.244 0.000 -3.695) 11.836 5.461 ( -2.697 -0.000 4.767) 5.477 5.546 ( 4.746 0.000 -3.469) 5.879 5.964 ( 4.972 0.000 -2.883) 5.747 6.575 ( 27.271 0.000 -1.394) 27.306 6.619 ( 17.459 0.000 1.425) 17.517 6.851 ( 18.737 0.000 -0.940) 18.761 7.344 ( 2.432 0.000 11.444) 11.700 7.453 ( 17.762 0.000 -9.935) 20.352 7.473 ( 0.182 0.000 -7.415) 7.417 7.573 ( -4.973 -0.000 9.191) 10.450 7.860 ( 4.345 0.000 2.041) 4.800 8.067 ( 6.538 0.000 2.169) 6.888 8.461 ( -3.797 -0.000 5.250) 6.479 8.632 ( -19.406 -0.000 -9.151) 21.455 9.057 ( -30.026 -0.000 2.502) 30.130 9.553 ( 9.359 0.000 -11.550) 14.866 9.830 ( 0.836 0.000 17.026) 17.047 10.120 ( 2.332 0.000 7.237) 7.603 10.249 ( 9.207 0.000 -13.859) 16.639 10.254 ( -0.171 -0.000 -7.800) 7.802 10.482 ( 0.446 0.000 14.501) 14.508 10.514 ( 13.546 0.000 -9.231) 16.392 11.301 ( 7.850 0.000 1.672) 8.026 11.527 ( 17.132 0.000 -7.695) 18.780 11.698 ( 3.384 0.000 8.592) 9.234 14.041 ( -0.893 -0.000 -3.390) 3.506 14.264 ( 2.710 0.000 3.164) 4.166 19.428 ( -5.057 -0.000 -5.163) 7.227 19.500 ( 0.386 0.000 7.284) 7.294 20.058 ( -7.675 -0.000 -7.883) 11.002 20.154 ( -6.361 -0.000 5.206) 8.220 20.458 ( -12.818 -0.000 5.292) 13.867 20.763 ( -4.932 -0.000 -1.689) 5.214 21.097 ( -13.213 -0.000 -3.944) 13.789 21.109 ( 4.830 0.000 0.507) 4.857 24.189 ( 18.488 0.000 -2.352) 18.637 24.328 ( 18.157 0.000 2.072) 18.275 26.339 ( -3.136 -0.000 -2.083) 3.765 26.424 ( -4.962 -0.000 2.498) 5.555 ======================= Grid point 150 (66/95) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 1.910 3.203 0.654) 3.786 1.432 ( 1.217 -2.911 -0.683) 3.228 1.578 ( -5.352 1.266 0.005) 5.499 1.706 ( -4.943 3.446 -1.080) 6.121 1.879 ( 2.138 -1.001 4.429) 5.019 1.962 ( -5.282 -3.910 9.413) 11.480 2.081 ( -3.606 0.711 -1.228) 3.875 2.088 ( -6.126 0.079 -4.623) 7.675 2.257 ( -1.300 -1.012 -2.211) 2.757 2.329 ( -1.013 0.705 1.189) 1.714 2.433 ( -1.079 2.555 -2.901) 4.014 2.464 ( 2.027 2.673 0.351) 3.373 2.548 ( 0.985 -3.613 6.024) 7.093 2.606 ( -1.541 -1.445 -3.590) 4.166 2.643 ( 8.708 0.680 4.607) 9.875 2.762 ( -1.125 -0.249 -3.552) 3.734 2.944 ( 2.534 -1.784 -6.549) 7.246 3.055 ( -3.817 3.236 -3.289) 5.989 3.153 ( -4.159 -3.075 -0.131) 5.175 3.198 ( -3.206 -2.176 4.267) 5.763 3.482 ( -3.890 4.764 0.720) 6.192 3.539 ( -3.160 0.327 -0.089) 3.178 3.550 ( 0.135 2.817 -3.807) 4.738 3.572 ( 1.113 5.700 4.990) 7.656 3.926 ( 6.834 -4.835 0.316) 8.377 4.002 ( 2.309 -2.691 0.335) 3.561 4.365 ( -3.205 3.063 -0.408) 4.452 4.415 ( 5.019 -0.041 -0.873) 5.095 4.605 ( 0.037 1.375 -2.236) 2.625 4.679 ( -0.292 -1.568 -1.017) 1.891 4.742 ( -1.155 1.961 0.965) 2.472 4.778 ( 2.222 -1.307 -1.375) 2.922 5.429 ( -0.910 0.008 5.882) 5.951 5.596 ( 11.302 0.265 -3.763) 11.915 5.708 ( 8.882 -5.436 -2.828) 10.791 6.021 ( 0.860 -0.617 0.668) 1.252 6.913 ( 14.379 -0.929 -0.600) 14.422 6.957 ( 14.123 -0.302 2.743) 14.390 7.150 ( 11.430 0.303 -6.176) 12.995 7.270 ( -12.994 0.018 6.116) 14.362 7.509 ( 6.274 0.441 -4.689) 7.845 7.623 ( 2.491 2.689 1.812) 4.089 7.685 ( 9.367 -2.497 9.738) 13.741 7.955 ( 7.219 0.722 2.005) 7.527 8.081 ( -3.633 -0.028 -1.950) 4.124 8.186 ( -10.307 -0.065 -5.891) 11.871 8.488 ( -30.212 0.515 5.262) 30.671 8.617 ( 6.518 -1.056 -8.013) 10.383 9.636 ( 2.261 8.283 -4.417) 9.656 9.840 ( -2.998 -5.797 10.743) 12.571 10.172 ( 3.092 -1.437 5.299) 6.301 10.239 ( 3.933 7.012 -2.172) 8.328 10.412 ( 1.141 -3.711 -5.367) 6.624 10.487 ( 1.222 -4.183 4.226) 6.070 10.748 ( 10.016 -2.747 -10.590) 14.833 11.301 ( -4.660 3.231 3.716) 6.780 11.787 ( 9.711 -0.003 -2.319) 9.984 11.802 ( 6.330 -1.079 2.913) 7.051 14.042 ( 1.032 0.109 0.686) 1.244 14.288 ( -0.084 0.071 -0.063) 0.127 19.351 ( -2.716 0.271 -3.452) 4.401 19.510 ( 0.007 -0.499 5.902) 5.923 19.943 ( -3.868 1.346 -8.023) 9.008 20.003 ( -7.892 3.771 6.794) 11.075 20.240 ( -9.330 1.040 -0.191) 9.389 20.650 ( -9.520 -3.964 3.838) 11.003 20.996 ( 0.805 -2.637 -4.651) 5.407 21.240 ( 10.432 2.129 -0.658) 10.668 24.454 ( 9.419 -0.945 -2.343) 9.752 24.568 ( 7.515 0.334 2.489) 7.923 26.309 ( 0.055 -0.195 -2.976) 2.982 26.355 ( -2.429 -0.152 3.105) 3.945 ======================= Grid point 151 (67/95) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -2.440 4.567 1.479) 5.385 1.464 ( -1.861 -0.816 -6.032) 6.366 1.480 ( -6.218 -3.617 1.099) 7.277 1.603 ( -0.075 2.604 2.103) 3.348 1.819 ( -10.278 -0.786 -0.142) 10.309 1.986 ( -2.199 -8.907 13.392) 16.233 2.025 ( 2.955 -0.308 -0.417) 3.000 2.046 ( -1.523 -1.577 -4.339) 4.861 2.231 ( -2.973 -0.268 -1.598) 3.386 2.344 ( 2.847 4.361 -2.911) 5.966 2.369 ( 1.198 2.334 -0.136) 2.628 2.467 ( 1.369 2.388 -0.213) 2.761 2.527 ( -4.505 -4.449 0.599) 6.360 2.612 ( -0.533 0.628 1.283) 1.525 2.750 ( -0.904 -1.741 0.024) 1.962 2.805 ( 7.414 2.550 3.524) 8.596 2.982 ( -2.073 -1.503 -1.509) 2.973 3.010 ( 0.837 -3.437 -3.077) 4.688 3.115 ( -3.847 -5.369 -2.686) 7.130 3.147 ( -4.470 -1.370 1.419) 4.886 3.370 ( -3.576 4.155 2.089) 5.866 3.415 ( -7.348 0.626 -2.258) 7.713 3.518 ( 2.250 6.918 -5.060) 8.861 3.599 ( 4.814 5.450 5.986) 9.419 4.081 ( 4.213 -2.864 -0.967) 5.185 4.114 ( 8.479 -4.127 -2.604) 9.783 4.252 ( -5.332 3.017 0.777) 6.175 4.437 ( -0.620 1.993 -2.579) 3.318 4.616 ( -1.436 -0.345 1.057) 1.816 4.641 ( -2.909 1.355 2.031) 3.798 4.711 ( -1.067 -1.482 -1.931) 2.658 4.783 ( -1.081 -0.272 -3.706) 3.870 5.419 ( -1.266 -0.085 5.844) 5.980 5.750 ( 5.696 1.799 -2.402) 6.438 5.880 ( 4.376 -3.463 -2.726) 6.210 6.008 ( -3.122 -0.646 1.013) 3.345 6.938 ( -18.956 0.975 2.561) 19.153 7.059 ( -13.016 1.287 2.792) 13.374 7.098 ( -2.740 1.323 1.038) 3.215 7.171 ( 4.035 -5.052 -1.889) 6.737 7.588 ( 5.668 3.388 -1.608) 6.796 7.621 ( 1.999 2.522 -1.344) 3.488 7.845 ( 0.478 -0.421 11.843) 11.860 7.923 ( -7.096 2.197 -1.658) 7.611 8.039 ( -13.260 -3.037 -2.856) 13.900 8.161 ( 4.075 -0.061 -4.030) 5.732 8.255 ( 19.718 -1.139 0.817) 19.768 8.784 ( 9.634 -1.230 -4.051) 10.524 9.553 ( -0.118 6.869 -1.191) 6.972 9.809 ( -4.659 -0.614 3.192) 5.681 10.129 ( -6.802 0.819 -2.635) 7.341 10.272 ( -3.730 -0.168 13.698) 14.198 10.428 ( 5.498 -0.586 -3.601) 6.599 10.595 ( 0.203 -8.813 -4.884) 10.078 10.887 ( 3.714 -0.920 -10.418) 11.098 11.143 ( -7.952 4.706 7.575) 11.948 11.808 ( -3.872 1.725 -1.478) 4.489 11.919 ( 2.573 0.559 0.720) 2.729 14.071 ( 1.732 -0.380 3.953) 4.333 14.261 ( -2.426 0.470 -2.898) 3.808 19.326 ( 0.072 0.023 -1.975) 1.977 19.515 ( -0.617 -1.051 3.519) 3.724 19.838 ( -6.429 1.442 7.644) 10.092 19.905 ( 1.062 -0.098 -7.910) 7.981 20.120 ( -4.007 -0.980 -4.078) 5.801 20.553 ( -5.757 -5.761 6.893) 10.670 21.118 ( 10.588 0.237 -2.986) 11.003 21.438 ( 15.471 5.704 -1.259) 16.537 24.516 ( -3.760 -0.769 -1.739) 4.214 24.576 ( -5.816 1.490 2.037) 6.340 26.317 ( 1.581 1.450 0.660) 2.245 26.378 ( 3.962 -1.232 -0.772) 4.220 ======================= Grid point 159 (68/95) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -2.256 -0.000 4.744) 5.253 1.393 ( -6.127 -0.000 -6.383) 8.848 1.467 ( -4.421 -0.000 0.017) 4.421 1.640 ( -3.051 -0.000 1.617) 3.453 1.839 ( -9.138 -0.000 0.332) 9.144 1.880 ( -1.143 -0.000 16.137) 16.177 2.017 ( -6.352 -0.000 -10.629) 12.382 2.019 ( 3.918 0.000 2.652) 4.731 2.265 ( -4.559 -0.000 0.783) 4.626 2.311 ( 6.954 0.000 -1.088) 7.038 2.413 ( -0.405 -0.000 -1.086) 1.159 2.474 ( -1.258 -0.000 -0.689) 1.435 2.559 ( -1.257 -0.000 -1.773) 2.173 2.570 ( 0.315 0.000 3.482) 3.496 2.742 ( -1.205 -0.000 -1.794) 2.161 2.847 ( 9.133 0.000 1.532) 9.260 2.972 ( 1.899 0.000 -3.945) 4.379 2.998 ( -4.875 -0.000 -6.920) 8.465 3.012 ( -6.947 -0.000 1.384) 7.084 3.137 ( -2.140 -0.000 3.749) 4.317 3.413 ( -6.244 -0.000 2.236) 6.632 3.414 ( -5.490 -0.000 -3.658) 6.597 3.600 ( 3.096 0.000 -6.196) 6.927 3.669 ( 2.956 0.000 8.555) 9.051 4.046 ( 4.541 0.000 -1.916) 4.929 4.061 ( 9.828 0.000 -2.226) 10.077 4.290 ( -6.069 -0.000 2.221) 6.463 4.456 ( -0.541 -0.000 -2.832) 2.883 4.618 ( -4.408 -0.000 4.422) 6.243 4.648 ( 3.474 0.000 -1.875) 3.947 4.699 ( -4.591 -0.000 -1.111) 4.724 4.776 ( -1.090 -0.000 -5.384) 5.493 5.418 ( -1.386 -0.000 5.851) 6.013 5.794 ( 9.203 0.000 -0.928) 9.250 5.808 ( 4.601 0.000 -3.517) 5.791 6.002 ( -3.193 -0.000 1.832) 3.681 6.947 ( -21.363 -0.000 1.320) 21.404 7.067 ( -10.064 -0.000 2.211) 10.304 7.115 ( 4.453 0.000 8.146) 9.284 7.121 ( -3.313 -0.000 -8.511) 9.133 7.636 ( 4.975 0.000 -1.366) 5.159 7.639 ( 5.965 0.000 -0.669) 6.002 7.842 ( 0.041 0.000 13.220) 13.220 7.954 ( -5.206 -0.000 -7.395) 9.044 7.999 ( -16.889 -0.000 1.804) 16.985 8.167 ( 1.407 0.000 -3.809) 4.060 8.236 ( 21.898 0.000 0.314) 21.900 8.770 ( 9.224 0.000 -3.639) 9.916 9.698 ( -4.665 -0.000 13.024) 13.834 9.717 ( -1.254 -0.000 -13.313) 13.372 10.138 ( -6.696 -0.000 9.314) 11.471 10.313 ( -1.784 -0.000 3.035) 3.520 10.414 ( 0.312 0.000 -13.783) 13.787 10.486 ( 3.675 0.000 7.361) 8.227 10.868 ( 4.870 0.000 -12.388) 13.311 11.194 ( -8.016 -0.000 8.458) 11.653 11.826 ( -2.516 -0.000 -1.721) 3.048 11.924 ( 3.357 0.000 0.333) 3.373 14.069 ( 1.588 0.000 3.459) 3.806 14.264 ( -2.413 -0.000 -2.352) 3.370 19.326 ( 0.044 0.000 -1.885) 1.886 19.503 ( -0.756 -0.000 2.561) 2.670 19.858 ( -9.324 -0.000 10.456) 14.010 19.904 ( -0.740 -0.000 -9.513) 9.542 20.112 ( -4.742 -0.000 -4.120) 6.282 20.492 ( -5.122 -0.000 7.138) 8.785 21.121 ( 13.084 0.000 -3.632) 13.578 21.494 ( 16.235 0.000 -1.112) 16.273 24.508 ( -3.048 -0.000 -2.363) 3.857 24.590 ( -5.498 -0.000 2.734) 6.140 26.338 ( 0.669 0.000 2.950) 3.025 26.359 ( 5.409 0.000 -3.115) 6.242 ======================= Grid point 160 (69/95) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -14.440 1.574 -0.623) 14.539 1.229 ( -14.140 -6.944 4.310) 16.332 1.490 ( 3.736 1.403 1.696) 4.336 1.607 ( -3.270 1.237 -1.548) 3.824 1.680 ( -3.874 0.367 -4.413) 5.883 1.898 ( -6.790 -4.412 -6.394) 10.318 1.917 ( -0.636 -5.661 11.484) 12.819 2.104 ( 4.113 0.419 0.066) 4.135 2.186 ( -3.220 -0.316 4.921) 5.889 2.349 ( -5.656 3.137 0.678) 6.503 2.424 ( -1.104 -2.513 -3.294) 4.288 2.486 ( -0.484 1.997 -1.979) 2.853 2.529 ( 1.580 1.953 3.162) 4.038 2.592 ( 4.066 -2.514 0.624) 4.821 2.684 ( -4.214 0.613 5.256) 6.765 2.874 ( -6.574 -2.985 -5.178) 8.885 2.891 ( -5.935 -1.762 0.035) 6.192 2.966 ( 3.817 1.862 -4.430) 6.137 3.054 ( 4.896 -1.944 -3.736) 6.458 3.131 ( 1.191 0.238 1.053) 1.608 3.304 ( -5.635 0.635 -5.516) 7.911 3.363 ( 1.344 1.579 0.531) 2.140 3.632 ( 2.759 6.198 -3.610) 7.685 3.691 ( 1.603 1.307 4.424) 4.884 4.141 ( -0.257 0.723 0.546) 0.942 4.175 ( -1.143 -1.346 1.672) 2.432 4.254 ( 9.131 -1.410 -2.068) 9.467 4.424 ( -1.551 1.014 -2.991) 3.518 4.545 ( -4.338 0.265 8.479) 9.528 4.570 ( -6.956 1.004 -2.166) 7.354 4.644 ( -3.934 -0.567 -5.251) 6.585 4.834 ( 7.413 -0.993 -4.075) 8.517 5.367 ( -5.147 -0.329 4.442) 6.806 5.830 ( -0.270 3.041 -3.017) 4.292 5.885 ( -9.740 -1.225 -0.893) 9.858 5.917 ( 1.888 -1.122 2.622) 3.420 6.521 ( -25.538 -0.569 -0.680) 25.553 6.752 ( -15.117 1.047 -0.043) 15.153 7.011 ( -14.585 -1.483 -0.132) 14.660 7.122 ( -4.647 1.699 9.707) 10.895 7.519 ( -7.140 1.710 -0.925) 7.400 7.700 ( 0.678 0.962 -3.369) 3.568 7.852 ( 0.327 -0.164 8.088) 8.096 7.932 ( -0.748 0.690 -4.611) 4.721 7.946 ( 4.307 3.057 2.174) 5.712 8.200 ( 3.216 -3.755 -2.125) 5.382 8.642 ( 20.056 -0.440 -5.340) 20.759 8.917 ( 7.079 -2.157 5.834) 9.423 9.629 ( 1.635 3.782 -8.902) 9.809 9.708 ( -2.063 -2.140 1.686) 3.417 9.958 ( -11.021 0.553 6.425) 12.769 10.218 ( -5.425 5.860 -2.380) 8.333 10.406 ( -4.779 -8.504 -8.587) 12.996 10.568 ( 2.643 -0.504 8.012) 8.452 10.902 ( -1.251 -0.995 -12.467) 12.569 11.051 ( -5.804 4.007 13.201) 14.967 11.699 ( -9.665 2.036 -7.300) 12.282 11.905 ( -5.071 0.817 4.340) 6.725 14.096 ( 0.842 -0.196 4.746) 4.824 14.207 ( -3.374 0.027 -3.731) 5.030 19.345 ( 1.833 0.229 -0.876) 2.045 19.485 ( -1.536 -1.171 0.197) 1.942 19.720 ( -6.374 -1.013 10.207) 12.076 19.932 ( 3.986 -2.656 -9.421) 10.569 20.062 ( -1.000 -0.641 -4.413) 4.570 20.476 ( 1.107 -2.604 8.002) 8.487 21.412 ( 19.127 2.385 -1.067) 19.305 21.814 ( 20.907 3.827 -1.526) 21.309 24.338 ( -15.365 0.631 -1.210) 15.425 24.390 ( -15.513 0.754 1.615) 15.615 26.373 ( 3.315 0.479 0.952) 3.482 26.484 ( 7.777 0.236 -1.729) 7.970 ======================= Grid point 169 (70/95) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -16.065 -0.000 3.393) 16.419 0.902 ( -17.050 -0.000 13.920) 22.011 1.493 ( -9.421 -0.000 -14.418) 17.223 1.526 ( -2.981 -0.000 -3.914) 4.920 1.673 ( 4.426 0.000 -5.080) 6.738 1.674 ( -20.086 -0.000 13.964) 24.463 1.876 ( -0.370 -0.000 11.048) 11.054 2.101 ( -4.405 -0.000 7.485) 8.685 2.166 ( 0.547 0.000 -2.313) 2.377 2.287 ( -5.537 -0.000 -1.499) 5.737 2.289 ( -5.461 -0.000 -3.079) 6.270 2.417 ( -3.484 -0.000 1.233) 3.696 2.532 ( 0.506 0.000 2.676) 2.724 2.632 ( -2.010 -0.000 10.342) 10.536 2.719 ( 1.192 0.000 -5.899) 6.018 2.783 ( 5.007 0.000 -14.864) 15.684 2.882 ( 5.187 0.000 -3.810) 6.436 3.049 ( 3.564 0.000 -5.065) 6.193 3.137 ( 0.727 0.000 -1.333) 1.518 3.171 ( 4.182 0.000 0.556) 4.219 3.249 ( 1.784 0.000 -4.525) 4.864 3.417 ( 1.924 0.000 -1.079) 2.207 3.683 ( -0.280 -0.000 5.641) 5.648 3.744 ( 4.314 0.000 -6.659) 7.935 4.055 ( -6.201 -0.000 7.948) 10.081 4.158 ( -4.030 -0.000 -4.191) 5.814 4.297 ( -7.710 -0.000 -0.153) 7.712 4.409 ( -1.930 -0.000 -4.697) 5.078 4.477 ( 0.460 0.000 10.218) 10.228 4.588 ( 9.942 0.000 -5.137) 11.190 4.602 ( 1.137 0.000 -2.238) 2.511 5.001 ( 11.818 0.000 -3.888) 12.441 5.216 ( -11.648 -0.000 2.878) 11.999 5.625 ( -14.985 -0.000 -4.895) 15.764 5.835 ( -1.320 -0.000 -5.982) 6.126 5.863 ( -11.730 -0.000 8.552) 14.517 6.089 ( -16.928 -0.000 2.894) 17.173 6.499 ( -19.203 -0.000 -1.921) 19.299 6.700 ( -13.035 -0.000 8.677) 15.659 7.024 ( -6.243 -0.000 8.341) 10.419 7.537 ( 6.787 0.000 -9.472) 11.653 7.662 ( -5.040 -0.000 -2.140) 5.476 7.774 ( -5.547 -0.000 3.090) 6.350 7.864 ( -6.703 -0.000 4.037) 7.825 8.129 ( 7.742 0.000 5.569) 9.537 8.162 ( -4.120 -0.000 0.504) 4.151 8.899 ( 8.030 0.000 -10.631) 13.323 9.067 ( 11.784 0.000 2.977) 12.154 9.640 ( 3.904 0.000 -8.550) 9.399 9.689 ( -6.272 -0.000 9.392) 11.294 9.897 ( 7.238 0.000 -5.404) 9.033 10.156 ( -13.732 -0.000 -5.420) 14.763 10.190 ( -4.313 -0.000 -2.433) 4.952 10.598 ( 0.004 0.000 6.447) 6.447 10.792 ( -9.374 -0.000 -5.413) 10.825 11.044 ( 0.889 0.000 8.677) 8.722 11.516 ( -9.822 -0.000 -11.804) 15.356 11.763 ( -10.972 -0.000 7.535) 13.310 14.099 ( -0.571 -0.000 4.234) 4.272 14.146 ( -2.884 -0.000 -3.427) 4.479 19.381 ( 1.468 0.000 -0.587) 1.581 19.445 ( -1.749 -0.000 -1.589) 2.363 19.634 ( -2.624 -0.000 12.062) 12.344 19.997 ( 5.501 0.000 -9.988) 11.402 20.069 ( 2.323 0.000 -0.638) 2.409 20.537 ( 5.855 0.000 7.013) 9.136 21.794 ( 20.295 0.000 1.562) 20.355 22.245 ( 24.177 0.000 -2.977) 24.360 23.991 ( -22.777 -0.000 -0.979) 22.798 24.051 ( -21.849 -0.000 0.441) 21.854 26.448 ( 4.963 0.000 -1.396) 5.156 26.636 ( 8.231 0.000 -0.831) 8.273 ======================= Grid point 170 (71/95) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 4.224 0.000 -23.183) 23.565 0.834 ( -4.224 -0.000 23.183) 23.565 0.875 ( -1.650 -0.000 -18.976) 19.048 0.875 ( 1.650 0.000 18.976) 19.048 1.654 ( -2.237 -0.000 -28.470) 28.558 1.654 ( 2.237 0.000 28.470) 28.558 1.960 ( -3.962 -0.000 0.552) 4.001 1.960 ( 3.962 0.000 -0.552) 4.001 2.147 ( 0.185 0.000 -4.255) 4.259 2.147 ( -0.185 -0.000 4.255) 4.259 2.376 ( 1.316 0.000 -12.422) 12.492 2.376 ( -1.316 -0.000 12.422) 12.492 2.589 ( -1.441 -0.000 -4.200) 4.440 2.589 ( 1.441 0.000 4.200) 4.440 2.757 ( 3.344 0.000 -9.266) 9.851 2.757 ( -3.344 -0.000 9.266) 9.851 3.072 ( 1.101 0.000 -0.529) 1.222 3.072 ( -1.101 -0.000 0.529) 1.222 3.210 ( -5.912 -0.000 -2.912) 6.590 3.210 ( 5.912 0.000 2.912) 6.590 3.348 ( -2.413 -0.000 -0.471) 2.459 3.348 ( 2.413 0.000 0.471) 2.459 3.778 ( -6.638 -0.000 -4.835) 8.212 3.778 ( 6.638 0.000 4.835) 8.212 3.867 ( 5.332 0.000 -4.596) 7.039 3.867 ( -5.332 -0.000 4.596) 7.039 4.174 ( -2.616 -0.000 -4.001) 4.780 4.174 ( 2.616 0.000 4.001) 4.780 4.648 ( 3.748 0.000 -2.112) 4.302 4.648 ( -3.748 -0.000 2.112) 4.302 5.079 ( 10.549 0.000 -3.776) 11.205 5.079 ( -10.549 -0.000 3.776) 11.205 5.141 ( -0.376 -0.000 -6.703) 6.714 5.141 ( 0.376 0.000 6.703) 6.714 5.605 ( 9.726 0.000 -8.053) 12.627 5.605 ( -9.726 -0.000 8.053) 12.627 6.012 ( 2.007 0.000 -2.327) 3.073 6.012 ( -2.007 -0.000 2.327) 3.073 6.712 ( -2.494 -0.000 -10.158) 10.459 6.712 ( 2.494 0.000 10.158) 10.459 7.488 ( 2.012 0.000 -4.967) 5.358 7.488 ( -2.012 -0.000 4.967) 5.358 7.894 ( -6.664 -0.000 1.970) 6.949 7.894 ( 6.664 0.000 -1.970) 6.949 8.004 ( 1.290 0.000 -10.553) 10.632 8.004 ( -1.290 -0.000 10.553) 10.632 9.222 ( -0.950 -0.000 -12.710) 12.745 9.222 ( 0.950 0.000 12.710) 12.745 9.638 ( 1.997 0.000 -1.704) 2.625 9.638 ( -1.997 -0.000 1.704) 2.625 9.907 ( 2.439 0.000 -3.167) 3.997 9.907 ( -2.439 -0.000 3.167) 3.997 10.315 ( -3.854 -0.000 -4.047) 5.589 10.315 ( 3.854 0.000 4.047) 5.589 10.735 ( -6.819 -0.000 -8.257) 10.709 10.735 ( 6.819 0.000 8.257) 10.709 11.486 ( 10.312 0.000 -5.824) 11.843 11.486 ( -10.312 -0.000 5.824) 11.843 14.084 ( 2.117 0.000 -1.769) 2.759 14.084 ( -2.117 -0.000 1.769) 2.759 19.394 ( 0.521 0.000 -1.024) 1.149 19.394 ( -0.521 -0.000 1.024) 1.149 19.904 ( 1.164 0.000 -13.097) 13.148 19.904 ( -1.164 -0.000 13.097) 13.148 20.647 ( -13.827 -0.000 0.145) 13.828 20.647 ( 13.827 0.000 -0.145) 13.828 22.490 ( -7.418 -0.000 -12.072) 14.169 22.490 ( 7.418 0.000 12.072) 14.169 23.314 ( 1.854 0.000 -4.626) 4.984 23.314 ( -1.854 -0.000 4.626) 4.984 26.626 ( -6.984 -0.000 0.506) 7.002 26.626 ( 6.984 0.000 -0.506) 7.002 ======================= Grid point 172 (72/95) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 3.450 -8.790 8.041) 12.402 1.005 ( 12.579 -4.764 -18.884) 23.185 1.016 ( 9.847 -2.220 -1.185) 10.164 1.133 ( 16.163 -7.472 9.465) 20.166 1.694 ( 7.125 -3.400 -10.081) 12.804 1.743 ( -0.494 -4.735 16.526) 17.198 1.927 ( 2.742 -3.103 5.404) 6.808 2.070 ( 6.830 -3.622 -6.915) 10.372 2.154 ( 0.251 1.792 2.925) 3.440 2.178 ( 2.742 -1.047 -3.097) 4.266 2.334 ( -2.097 0.767 12.310) 12.511 2.371 ( 0.180 -0.513 -16.421) 16.430 2.513 ( -3.786 2.310 -2.103) 4.908 2.565 ( -3.855 0.187 4.692) 6.075 2.704 ( -2.236 -0.381 8.749) 9.038 2.787 ( 1.608 -1.077 -7.802) 8.039 3.020 ( -9.541 3.073 -2.131) 10.247 3.030 ( -1.881 2.532 -1.448) 3.471 3.078 ( -2.394 -0.808 1.002) 2.718 3.240 ( -1.869 0.442 1.563) 2.477 3.297 ( -1.967 2.477 -1.205) 3.385 3.380 ( 2.039 1.958 0.525) 2.875 3.685 ( -3.230 5.128 -0.565) 6.086 3.757 ( -3.529 -1.681 2.145) 4.459 3.999 ( 11.892 1.810 0.757) 12.052 4.005 ( 9.225 -0.214 -3.468) 9.858 4.172 ( 2.683 0.732 -2.493) 3.735 4.240 ( 3.101 -1.141 5.475) 6.395 4.627 ( 0.502 2.220 -1.505) 2.729 4.708 ( -1.157 1.014 -5.475) 5.688 4.767 ( -13.764 0.988 0.576) 13.811 5.067 ( -9.821 -1.858 13.623) 16.896 5.141 ( 2.755 -0.680 -7.330) 7.861 5.276 ( 9.565 -1.142 5.644) 11.165 5.630 ( 12.531 0.010 -1.210) 12.590 5.646 ( 4.023 -1.252 2.794) 5.055 6.092 ( 7.689 4.958 -7.221) 11.655 6.273 ( 14.535 -2.160 -9.517) 17.507 6.731 ( 6.582 1.024 -8.670) 10.934 6.831 ( 11.466 3.233 9.742) 15.389 7.476 ( -1.748 0.142 4.816) 5.125 7.554 ( 4.110 -0.688 -0.263) 4.176 7.724 ( -3.507 3.376 2.910) 5.671 7.903 ( 0.934 3.446 -3.882) 5.274 8.033 ( 2.064 4.716 -1.417) 5.340 8.196 ( 8.470 -11.503 2.700) 14.538 9.065 ( -14.488 -1.348 -9.785) 17.535 9.202 ( -2.429 -1.381 2.955) 4.067 9.668 ( 1.430 3.350 3.413) 4.991 9.723 ( 5.112 0.397 -5.683) 7.654 9.807 ( -5.993 -0.292 8.871) 10.709 9.890 ( 1.937 -2.231 2.170) 3.666 10.292 ( -0.976 -0.490 -6.564) 6.654 10.457 ( 9.195 -0.646 5.655) 10.814 10.687 ( 1.537 1.507 -6.055) 6.426 10.963 ( 15.682 -1.549 0.887) 15.783 11.298 ( -8.293 3.999 6.714) 11.394 11.668 ( 11.528 2.582 -4.163) 12.526 14.063 ( -0.384 0.007 2.442) 2.472 14.135 ( 2.830 -0.802 -2.194) 3.670 19.384 ( -0.647 0.227 0.400) 0.793 19.421 ( 1.021 -3.027 -0.066) 3.195 19.873 ( -3.689 -2.078 12.559) 13.254 19.901 ( -0.943 -0.918 -13.671) 13.734 20.358 ( -15.985 -3.739 -6.225) 17.557 20.732 ( -3.284 -0.587 -3.204) 4.626 22.195 ( -17.957 6.366 -5.981) 19.968 22.397 ( -12.785 6.587 13.009) 19.393 23.541 ( 21.760 -0.816 2.382) 21.905 23.592 ( 23.473 0.170 0.113) 23.474 26.501 ( -5.422 -0.100 2.458) 5.954 26.676 ( -1.430 1.566 2.580) 3.340 ======================= Grid point 173 (73/95) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 3.759 -4.979 -8.198) 10.302 1.235 ( 8.319 -8.666 9.228) 15.148 1.302 ( 13.409 -8.211 -10.699) 19.018 1.411 ( 6.036 -3.823 11.595) 13.620 1.671 ( -4.592 -2.097 -3.363) 6.066 1.882 ( 4.267 -2.636 -0.604) 5.052 2.045 ( 1.376 3.107 -0.555) 3.443 2.149 ( 2.256 -0.517 0.903) 2.485 2.213 ( 2.829 -2.835 0.142) 4.007 2.289 ( 4.722 -5.050 1.245) 7.025 2.387 ( 7.636 -5.708 10.397) 14.106 2.410 ( 2.520 0.642 -2.249) 3.438 2.493 ( -1.790 -0.264 -0.921) 2.031 2.545 ( 7.335 -4.687 -5.638) 10.371 2.706 ( 0.917 -4.265 1.451) 4.598 2.774 ( -8.534 3.876 1.598) 9.509 2.845 ( 0.783 -0.973 -2.680) 2.957 2.990 ( 1.429 2.643 -6.868) 7.496 3.079 ( 1.523 0.802 3.863) 4.229 3.172 ( -5.007 0.150 0.123) 5.011 3.220 ( -2.562 2.999 -2.642) 4.748 3.372 ( -0.763 2.490 0.700) 2.696 3.553 ( -4.556 6.068 2.469) 7.980 3.737 ( 0.512 1.900 -1.470) 2.456 4.128 ( 5.762 1.679 -3.769) 7.087 4.163 ( 5.250 1.190 2.372) 5.882 4.226 ( 4.721 2.552 3.139) 6.217 4.317 ( 4.108 -0.683 1.114) 4.310 4.498 ( -7.173 -0.639 3.637) 8.067 4.578 ( -8.864 -0.246 0.652) 8.892 4.706 ( 2.205 0.720 -9.122) 9.412 4.900 ( -9.110 -2.783 6.412) 11.482 5.325 ( 12.762 2.264 -7.260) 14.856 5.524 ( 14.962 0.335 3.997) 15.490 5.687 ( 3.934 -1.264 7.837) 8.859 5.947 ( 9.913 -0.025 0.366) 9.919 6.177 ( 12.540 2.643 -7.219) 14.709 6.463 ( 10.904 4.145 0.962) 11.705 6.923 ( 11.893 -3.413 -10.309) 16.105 7.033 ( 15.569 8.572 -0.763) 17.789 7.404 ( -1.549 1.959 2.931) 3.850 7.607 ( -0.967 -2.920 5.994) 6.737 7.768 ( 8.368 4.273 -0.699) 9.422 7.919 ( 3.320 2.321 -3.742) 5.515 7.976 ( -0.872 6.042 1.061) 6.197 8.390 ( -1.476 -10.101 2.905) 10.613 8.798 ( -16.195 -3.320 0.858) 16.555 9.155 ( -6.346 -4.208 -1.676) 7.797 9.555 ( -8.029 1.504 1.976) 8.405 9.764 ( 1.396 -0.229 2.342) 2.736 9.838 ( 8.555 6.207 -7.165) 12.769 10.030 ( 10.397 -0.593 -1.514) 10.524 10.307 ( 0.867 -5.558 2.949) 6.351 10.614 ( 4.785 -4.027 8.175) 10.293 10.726 ( 4.743 3.121 -6.938) 8.966 11.112 ( -1.294 8.216 -2.819) 8.782 11.299 ( 15.429 -0.225 5.158) 16.269 11.830 ( 9.081 3.305 -2.153) 9.901 14.071 ( 1.518 0.943 3.570) 3.992 14.185 ( 1.660 -1.120 -3.011) 3.617 19.367 ( -0.981 0.420 -0.343) 1.121 19.480 ( 1.310 -4.548 0.579) 4.768 19.837 ( -4.700 -5.216 12.427) 14.273 19.889 ( -0.149 -0.903 -11.797) 11.833 20.169 ( -9.385 -4.476 -4.893) 11.492 20.662 ( -3.889 -3.238 -2.190) 5.514 21.774 ( -20.666 6.653 -4.463) 22.164 22.020 ( -19.463 8.959 9.353) 23.379 23.967 ( 23.010 0.462 -0.339) 23.017 24.015 ( 23.163 2.560 1.728) 23.368 26.435 ( -2.686 0.380 -0.295) 2.729 26.579 ( -6.730 1.112 2.172) 7.158 ======================= Grid point 174 (74/95) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 6.406 -0.460 -2.524) 6.900 1.410 ( -3.600 -1.033 2.084) 4.286 1.430 ( 3.540 -7.401 2.332) 8.529 1.610 ( 9.756 -9.385 0.141) 13.538 1.705 ( 3.601 1.094 -4.038) 5.520 1.913 ( 0.943 -3.749 1.087) 4.015 2.009 ( 0.448 4.378 0.944) 4.501 2.212 ( 2.223 -1.471 -1.799) 3.216 2.271 ( 2.591 -1.791 -4.356) 5.376 2.334 ( -3.233 2.324 4.155) 5.755 2.394 ( -5.183 0.541 -2.821) 5.926 2.424 ( 1.466 -0.598 2.064) 2.601 2.548 ( -3.893 -1.808 -2.392) 4.914 2.641 ( 0.602 -3.189 4.589) 5.620 2.715 ( 1.715 -3.286 3.466) 5.075 2.848 ( 7.232 -5.547 6.398) 11.135 2.971 ( 8.501 -1.160 -5.805) 10.359 3.028 ( -1.398 -1.550 -6.899) 7.208 3.050 ( -0.512 -2.701 -1.475) 3.120 3.167 ( 4.697 -0.399 7.135) 8.552 3.176 ( 1.594 3.519 -4.157) 5.675 3.329 ( -0.636 1.774 0.688) 2.006 3.435 ( -2.693 3.543 1.779) 4.793 3.713 ( -0.387 5.254 -4.661) 7.035 4.141 ( -3.429 2.373 4.458) 6.105 4.181 ( 1.769 0.497 -2.705) 3.270 4.256 ( -3.323 -0.726 1.304) 3.643 4.337 ( 0.659 0.869 1.619) 1.952 4.499 ( 4.306 0.006 2.457) 4.958 4.555 ( 6.108 -0.048 0.451) 6.124 4.721 ( 0.217 0.349 -6.200) 6.214 4.801 ( -4.676 -3.021 4.009) 6.860 5.477 ( 6.958 2.455 -6.866) 10.079 5.662 ( 1.975 2.690 7.444) 8.158 5.823 ( 6.315 2.226 3.266) 7.450 5.977 ( 1.852 0.583 -3.551) 4.047 6.545 ( 23.159 -1.785 -0.637) 23.237 6.687 ( 18.445 2.996 1.931) 18.786 7.120 ( 5.927 0.200 -3.693) 6.986 7.192 ( 8.436 2.163 -2.934) 9.190 7.466 ( 10.796 5.673 -3.863) 12.793 7.616 ( -0.209 -0.645 5.280) 5.323 7.837 ( -2.168 1.508 3.489) 4.376 7.865 ( 4.491 3.726 1.279) 5.974 7.994 ( 0.503 0.756 -5.753) 5.824 8.337 ( -9.441 -6.642 -6.032) 13.024 8.550 ( -14.944 -1.559 6.811) 16.496 8.979 ( -18.101 -3.613 3.499) 18.787 9.439 ( -2.481 1.108 3.550) 4.471 9.849 ( 4.965 4.977 -8.383) 10.940 9.914 ( 10.077 -0.536 -0.678) 10.114 10.252 ( 11.005 2.153 -1.358) 11.295 10.398 ( 1.688 -8.117 6.265) 10.391 10.713 ( 2.083 -3.005 6.392) 7.364 10.762 ( 1.141 1.051 -8.043) 8.191 11.048 ( 2.881 6.671 0.837) 7.315 11.574 ( 14.717 1.909 -0.498) 14.849 11.916 ( 3.471 2.866 -0.048) 4.501 14.103 ( 3.096 1.728 4.567) 5.782 14.207 ( -0.435 -1.436 -4.071) 4.339 19.339 ( -1.564 0.412 -0.934) 1.867 19.547 ( 1.498 -3.999 0.246) 4.277 19.812 ( -4.649 -5.734 10.612) 12.927 19.900 ( 1.114 0.396 -6.978) 7.077 20.091 ( -3.008 -3.413 -3.239) 5.585 20.684 ( 1.481 -6.666 -3.933) 7.880 21.356 ( -18.195 5.100 -2.826) 19.107 21.589 ( -17.890 9.712 6.727) 21.439 24.324 ( 15.891 -0.401 -0.033) 15.896 24.352 ( 17.012 3.796 0.591) 17.440 26.371 ( -3.603 1.693 -1.383) 4.214 26.457 ( -5.616 -0.459 1.593) 5.855 ======================= Grid point 175 (75/95) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 1.794 0.585 0.271) 1.906 1.393 ( 1.041 -0.017 -0.035) 1.042 1.537 ( 2.972 -3.158 1.770) 4.684 1.629 ( -4.271 1.116 -3.585) 5.686 1.887 ( 7.167 -7.230 2.912) 10.589 1.995 ( 1.316 1.337 0.501) 1.942 2.025 ( 5.111 -3.253 -0.148) 6.060 2.179 ( -4.462 4.852 0.978) 6.664 2.194 ( -5.759 3.428 -3.135) 7.399 2.288 ( -3.156 1.210 -0.094) 3.381 2.354 ( 3.100 -3.038 -2.066) 4.807 2.478 ( 1.728 0.288 1.988) 2.650 2.531 ( -0.053 -1.539 -2.782) 3.180 2.667 ( -0.256 -2.987 3.122) 4.328 2.714 ( -0.731 1.346 -0.469) 1.602 2.959 ( -1.645 -0.740 -1.225) 2.180 2.992 ( 1.247 -0.882 -0.216) 1.543 3.068 ( -2.988 -4.284 -0.858) 5.293 3.112 ( 1.791 -1.499 4.084) 4.704 3.151 ( 3.902 3.317 -0.018) 5.122 3.321 ( 6.039 -1.710 3.619) 7.246 3.348 ( 2.478 -0.849 -1.239) 2.897 3.409 ( 1.981 0.445 -1.254) 2.386 3.586 ( -7.228 4.861 -3.441) 9.365 4.094 ( 0.541 1.642 0.173) 1.737 4.145 ( -4.266 -1.280 0.891) 4.542 4.236 ( 1.264 0.347 -0.884) 1.581 4.346 ( -0.010 0.221 0.746) 0.778 4.570 ( 2.684 0.512 1.651) 3.193 4.667 ( 3.973 0.090 -0.415) 3.995 4.716 ( -0.439 -0.991 0.171) 1.097 4.784 ( -0.395 -1.138 -0.497) 1.303 5.550 ( 4.205 1.201 -6.859) 8.134 5.623 ( -3.017 1.919 7.387) 8.207 5.842 ( 0.538 1.208 0.801) 1.546 6.030 ( 2.090 0.222 -1.386) 2.517 6.955 ( 18.659 -0.516 0.063) 18.667 7.013 ( 15.570 0.601 2.604) 15.798 7.148 ( 1.154 4.091 -6.051) 7.395 7.277 ( -3.154 -5.093 1.788) 6.252 7.505 ( -5.931 2.074 1.764) 6.526 7.554 ( 0.420 2.263 -1.542) 2.771 7.863 ( -2.085 -0.860 2.610) 3.449 7.924 ( 3.327 1.639 0.623) 3.761 8.024 ( 9.679 -0.973 1.278) 9.811 8.242 ( -7.303 1.595 0.248) 7.480 8.357 ( -0.589 -2.557 -15.155) 15.381 8.624 ( -21.159 -0.956 11.532) 24.116 9.434 ( 0.964 0.233 1.351) 1.676 9.858 ( 1.524 2.581 -1.802) 3.498 10.141 ( 10.855 -2.022 -6.510) 12.818 10.290 ( -4.062 0.627 9.881) 10.702 10.531 ( 4.706 -2.210 -2.614) 5.819 10.734 ( -2.281 -1.423 -1.766) 3.217 10.763 ( 1.364 0.926 0.679) 1.784 11.068 ( 2.452 1.979 0.574) 3.203 11.779 ( 9.406 1.244 -1.655) 9.632 11.901 ( -2.970 1.010 1.385) 3.429 14.148 ( 3.211 1.863 4.621) 5.928 14.194 ( -2.177 -1.678 -4.434) 5.217 19.312 ( -0.826 0.153 -0.510) 0.983 19.601 ( 1.016 -1.731 -0.397) 2.046 19.786 ( -2.449 -2.189 4.522) 5.589 19.904 ( 0.343 0.560 -2.061) 2.163 20.107 ( 0.807 -1.680 -0.847) 2.047 20.827 ( 6.315 -7.430 -5.922) 11.409 21.054 ( -10.167 3.415 2.195) 10.947 21.242 ( -9.906 6.969 2.962) 12.468 24.526 ( 5.229 -1.070 0.522) 5.363 24.545 ( 7.065 2.440 -0.375) 7.484 26.294 ( -2.397 0.723 -0.382) 2.532 26.395 ( -1.819 -0.206 0.350) 1.864 ======================= Grid point 181 (76/95) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 5.541 0.000 2.426) 6.049 1.185 ( 11.645 0.000 -12.194) 16.861 1.234 ( 12.674 0.000 4.771) 13.542 1.358 ( 11.721 0.000 8.935) 14.739 1.636 ( -5.770 -0.000 0.836) 5.830 1.868 ( 6.408 0.000 -7.508) 9.871 2.063 ( 7.156 0.000 9.782) 12.120 2.147 ( 3.342 0.000 -9.342) 9.922 2.191 ( 0.447 0.000 0.607) 0.754 2.215 ( 4.041 0.000 4.743) 6.231 2.355 ( 5.290 0.000 16.561) 17.385 2.428 ( 9.553 0.000 -19.846) 22.026 2.465 ( -1.954 -0.000 -1.029) 2.208 2.512 ( 0.028 0.000 2.529) 2.529 2.661 ( -2.194 -0.000 5.402) 5.830 2.810 ( -1.621 -0.000 1.630) 2.299 2.839 ( -5.706 -0.000 -6.082) 8.340 3.026 ( 0.374 0.000 -5.370) 5.383 3.084 ( 2.511 0.000 4.631) 5.268 3.179 ( -5.202 -0.000 -1.174) 5.333 3.253 ( -3.737 -0.000 -3.607) 5.194 3.398 ( -1.304 -0.000 1.399) 1.912 3.633 ( -5.516 -0.000 4.878) 7.363 3.746 ( 2.535 0.000 -2.005) 3.232 4.141 ( 5.402 0.000 -1.786) 5.690 4.175 ( 5.120 0.000 -4.755) 6.988 4.280 ( 2.192 0.000 8.071) 8.363 4.283 ( 6.565 0.000 0.979) 6.638 4.490 ( -8.417 -0.000 2.031) 8.658 4.578 ( -8.424 -0.000 2.544) 8.800 4.715 ( 1.629 0.000 -11.585) 11.699 4.858 ( -8.840 -0.000 8.446) 12.226 5.348 ( 12.952 0.000 -10.271) 16.530 5.525 ( 16.347 0.000 6.220) 17.490 5.670 ( 4.040 0.000 7.757) 8.746 5.942 ( 12.257 0.000 0.933) 12.292 6.217 ( 8.261 0.000 -9.183) 12.352 6.497 ( 11.374 0.000 1.202) 11.438 6.883 ( 9.746 0.000 -8.909) 13.204 7.123 ( 16.064 0.000 -0.583) 16.075 7.420 ( -0.451 -0.000 2.718) 2.755 7.571 ( -0.238 -0.000 4.880) 4.886 7.815 ( 8.883 0.000 -1.546) 9.017 7.945 ( -0.528 -0.000 -2.147) 2.211 8.144 ( -0.259 -0.000 2.119) 2.135 8.181 ( 0.789 0.000 0.924) 1.215 8.764 ( -15.642 -0.000 1.234) 15.691 9.111 ( -6.868 -0.000 -2.080) 7.176 9.575 ( -7.893 -0.000 -0.459) 7.906 9.764 ( -0.468 -0.000 2.878) 2.916 9.916 ( 15.170 0.000 -12.055) 19.376 10.022 ( 8.769 0.000 7.766) 11.714 10.237 ( -1.742 -0.000 -3.730) 4.116 10.571 ( 4.190 0.000 13.185) 13.834 10.759 ( 3.499 0.000 -9.753) 10.362 11.192 ( -3.552 -0.000 0.831) 3.648 11.299 ( 18.170 0.000 5.199) 18.900 11.863 ( 8.381 0.000 -2.514) 8.750 14.079 ( 1.782 0.000 3.323) 3.770 14.175 ( 1.879 0.000 -3.262) 3.765 19.396 ( -1.056 -0.000 -1.746) 2.040 19.408 ( 1.914 0.000 1.856) 2.666 19.786 ( -4.875 -0.000 11.492) 12.483 19.884 ( 0.941 0.000 -13.301) 13.334 20.125 ( -7.615 -0.000 -5.096) 9.163 20.630 ( -5.277 -0.000 -1.387) 5.456 21.841 ( -22.779 -0.000 -3.591) 23.061 22.107 ( -20.871 -0.000 10.110) 23.191 23.971 ( 23.000 0.000 0.861) 23.016 24.041 ( 23.690 0.000 1.049) 23.714 26.439 ( -1.978 -0.000 -0.618) 2.072 26.591 ( -7.845 -0.000 3.097) 8.434 ======================= Grid point 182 (77/95) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 9.506 -3.938 1.867) 10.457 1.359 ( 8.094 1.298 -3.232) 8.811 1.419 ( -3.189 0.639 8.310) 8.924 1.500 ( 13.095 -2.682 4.523) 14.111 1.704 ( 10.172 -1.892 -7.381) 12.709 1.853 ( -3.862 -1.497 -3.343) 5.323 2.087 ( -0.752 3.264 1.927) 3.864 2.170 ( 0.396 -1.965 -5.957) 6.285 2.236 ( 2.218 -0.965 -4.978) 5.534 2.339 ( 6.322 -3.622 3.771) 8.204 2.375 ( -5.796 -1.200 12.018) 13.397 2.434 ( -2.220 2.557 -3.594) 4.938 2.507 ( 2.067 -0.224 2.838) 3.518 2.642 ( 4.810 -1.619 -0.026) 5.075 2.671 ( -1.632 2.887 2.107) 3.929 2.751 ( 5.592 -5.974 2.238) 8.483 2.920 ( 6.946 -1.271 -5.512) 8.958 3.036 ( -5.320 0.441 -2.270) 5.801 3.044 ( -0.865 0.961 -8.290) 8.390 3.173 ( 6.354 0.458 7.642) 9.949 3.206 ( -0.120 0.452 -5.462) 5.482 3.365 ( -0.164 1.169 0.942) 1.510 3.528 ( -3.929 4.044 5.168) 7.648 3.789 ( 2.198 2.190 -3.885) 4.972 4.133 ( -5.829 -1.043 0.712) 5.964 4.208 ( -3.099 0.002 -2.086) 3.736 4.262 ( -0.483 1.986 -0.584) 2.126 4.335 ( 2.116 -0.898 4.740) 5.268 4.518 ( 6.263 1.718 2.619) 7.002 4.553 ( 5.596 -0.605 2.244) 6.060 4.721 ( -1.086 -0.048 -7.373) 7.453 4.742 ( -4.654 -2.539 3.930) 6.599 5.510 ( 6.135 0.955 -9.737) 11.548 5.692 ( 2.354 0.627 9.604) 9.908 5.855 ( 11.094 1.148 1.933) 11.320 5.963 ( -4.647 -1.270 -0.267) 4.824 6.531 ( 23.393 0.044 -2.390) 23.514 6.730 ( 16.454 1.258 2.174) 16.644 7.041 ( 4.961 -3.471 -1.292) 6.191 7.290 ( 4.712 3.626 -5.314) 7.974 7.554 ( 12.178 3.020 -3.686) 13.077 7.595 ( 3.318 -1.350 4.604) 5.833 7.865 ( -6.932 1.218 4.569) 8.391 7.957 ( 6.544 3.346 -3.546) 8.161 8.031 ( -3.932 4.863 -4.986) 7.999 8.187 ( -5.230 -8.583 -2.430) 10.340 8.521 ( -13.466 -1.096 7.235) 15.326 8.921 ( -16.152 -1.948 4.236) 16.811 9.478 ( -1.369 2.019 3.251) 4.064 9.844 ( 9.157 -1.796 -11.994) 15.197 10.032 ( 3.238 9.491 2.391) 10.310 10.220 ( 3.296 -10.033 3.785) 11.218 10.303 ( 12.040 2.246 -4.792) 13.152 10.639 ( 1.182 -2.731 11.593) 11.969 10.777 ( -0.840 0.010 -11.418) 11.449 11.148 ( 0.627 2.942 4.914) 5.762 11.606 ( 14.905 1.128 0.236) 14.949 11.953 ( 1.886 0.959 -0.437) 2.161 14.126 ( 3.289 0.613 4.521) 5.624 14.190 ( -0.352 -0.428 -4.530) 4.564 19.355 ( -1.983 1.042 -1.631) 2.771 19.476 ( 3.130 -2.858 0.650) 4.288 19.729 ( -3.082 -2.247 10.930) 11.576 19.929 ( 4.956 1.363 -11.013) 12.153 20.050 ( -1.379 -1.052 -1.998) 2.646 20.584 ( -0.885 -3.200 -1.520) 3.652 21.425 ( -20.857 1.954 -3.396) 21.222 21.718 ( -19.699 3.622 7.639) 21.436 24.316 ( 14.555 -0.244 0.883) 14.584 24.405 ( 16.806 1.531 0.039) 16.875 26.403 ( -2.463 1.456 -1.868) 3.416 26.443 ( -7.327 -0.918 2.041) 7.662 ======================= Grid point 183 (78/95) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 4.692 2.677 1.602) 5.634 1.386 ( 2.250 -2.214 1.515) 3.502 1.476 ( 4.757 -0.526 1.509) 5.018 1.650 ( -0.648 1.931 -1.820) 2.732 1.801 ( 6.687 -1.567 2.975) 7.485 1.960 ( 7.695 -3.623 -1.474) 8.632 2.028 ( -2.433 1.909 1.766) 3.561 2.202 ( -4.427 -2.908 -6.689) 8.532 2.255 ( 3.372 -2.307 -3.681) 5.500 2.269 ( -3.510 1.826 4.923) 6.316 2.391 ( 0.119 5.484 -2.152) 5.892 2.480 ( 4.820 -2.789 2.752) 6.211 2.496 ( -0.641 0.813 -2.175) 2.409 2.639 ( -0.010 1.241 4.589) 4.753 2.696 ( -0.132 -3.249 -0.233) 3.260 2.895 ( 1.451 -5.108 5.693) 7.785 2.912 ( -6.087 -2.219 -4.124) 7.680 2.966 ( -2.585 -4.764 -0.918) 5.497 3.113 ( 5.798 0.404 -4.044) 7.081 3.229 ( 2.820 1.211 -4.449) 5.405 3.311 ( 7.614 0.099 6.251) 9.852 3.392 ( 3.857 4.329 1.815) 6.075 3.451 ( 1.425 3.146 1.568) 3.793 3.709 ( -6.706 7.093 -4.219) 10.634 4.067 ( -2.415 -2.366 -0.727) 3.459 4.123 ( -4.823 -2.857 -2.446) 6.116 4.271 ( 2.764 3.873 -1.158) 4.897 4.369 ( 1.257 1.218 3.481) 3.897 4.580 ( 1.087 0.648 2.819) 3.090 4.672 ( 4.217 -1.145 1.019) 4.487 4.686 ( 0.158 -0.505 -0.093) 0.538 4.756 ( 1.201 -1.758 -1.567) 2.643 5.565 ( 1.954 0.445 -8.549) 8.781 5.658 ( -5.302 2.092 7.387) 9.330 5.836 ( -4.616 -2.041 0.875) 5.122 6.011 ( 1.400 -1.514 0.740) 2.191 6.942 ( 16.736 0.036 1.905) 16.844 7.015 ( 10.895 -1.148 3.335) 11.452 7.131 ( 4.055 -3.133 -1.739) 5.411 7.279 ( -2.347 2.662 -7.414) 8.220 7.552 ( -5.702 2.915 2.389) 6.835 7.605 ( -4.027 2.168 -0.133) 4.575 7.847 ( 4.307 -0.751 4.381) 6.190 7.974 ( 1.300 1.689 -1.569) 2.646 8.022 ( 4.108 2.905 0.431) 5.050 8.260 ( 6.721 -0.089 -9.541) 11.671 8.282 ( -10.237 -4.839 -6.091) 12.857 8.602 ( -18.520 -1.138 12.701) 22.486 9.471 ( 1.802 3.209 4.577) 5.873 9.954 ( 0.275 6.680 -0.463) 6.702 10.088 ( 10.655 -3.079 -8.085) 13.725 10.257 ( -4.638 -4.785 10.557) 12.484 10.516 ( 8.813 1.643 -3.500) 9.623 10.663 ( -1.998 -3.947 -6.280) 7.681 10.740 ( -3.317 -3.111 -3.632) 5.820 11.152 ( 2.594 4.665 7.051) 8.844 11.800 ( 7.666 1.035 -1.262) 7.838 11.910 ( -5.795 0.022 1.723) 6.046 14.163 ( -2.161 -0.569 -4.368) 4.906 14.186 ( 3.200 1.001 4.032) 5.244 19.317 ( -1.198 0.324 -0.883) 1.523 19.562 ( 3.513 -2.244 -1.743) 4.518 19.726 ( -0.320 -2.047 10.074) 10.285 19.982 ( 4.184 4.648 -7.205) 9.541 20.096 ( 5.374 0.649 -0.823) 5.475 20.668 ( 4.621 -8.104 -2.702) 9.712 21.093 ( -12.845 1.091 -2.098) 13.061 21.367 ( -14.180 5.226 5.389) 16.044 24.492 ( 3.666 -1.542 0.649) 4.030 24.599 ( 6.013 2.226 -0.280) 6.418 26.303 ( -4.368 0.259 1.363) 4.583 26.393 ( -0.889 -0.006 -1.595) 1.826 ======================= Grid point 184 (79/95) ======================= q-point: (-0.56 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -0.621 4.042 -1.470) 4.346 1.414 ( 0.186 1.866 1.925) 2.687 1.570 ( 0.715 -2.023 0.593) 2.226 1.609 ( 3.702 2.647 0.588) 4.588 1.941 ( 0.661 -1.153 4.553) 4.743 1.975 ( 0.791 -2.686 -1.991) 3.436 2.098 ( 3.037 0.405 -1.242) 3.306 2.128 ( -5.058 3.597 -2.513) 6.696 2.179 ( 1.341 2.080 3.762) 4.503 2.312 ( 2.315 3.407 1.121) 4.269 2.383 ( 1.808 -0.281 -3.363) 3.829 2.473 ( -1.489 0.809 -1.909) 2.552 2.563 ( 2.482 0.350 2.359) 3.442 2.662 ( 1.263 -1.891 3.509) 4.181 2.697 ( -0.709 -0.835 -2.658) 2.875 2.872 ( -2.331 -7.950 -5.127) 9.743 2.943 ( -1.697 -8.405 2.701) 8.990 2.975 ( -1.142 -1.612 2.234) 2.982 3.171 ( 1.972 2.348 0.186) 3.072 3.246 ( 1.483 4.518 -2.514) 5.379 3.390 ( 1.628 4.347 1.846) 4.995 3.412 ( 3.275 4.604 0.112) 5.651 3.472 ( -7.707 8.091 -1.428) 11.265 3.534 ( 5.674 -0.551 1.404) 5.871 4.037 ( -2.992 -3.257 -1.362) 4.628 4.126 ( 0.712 -4.597 -3.130) 5.607 4.266 ( 0.798 4.475 0.289) 4.555 4.371 ( 0.422 1.809 1.254) 2.241 4.563 ( -2.146 -0.039 0.088) 2.148 4.675 ( -3.346 0.724 0.147) 3.427 4.720 ( 0.327 -0.332 0.248) 0.528 4.793 ( 1.821 -0.453 0.255) 1.894 5.527 ( -7.200 -0.820 5.127) 8.877 5.582 ( -0.226 -2.200 -7.162) 7.496 5.790 ( -4.347 -4.576 -0.621) 6.342 6.000 ( -4.258 -2.474 3.597) 6.098 6.929 ( -13.912 -3.116 3.148) 14.600 6.998 ( -17.639 -1.209 -1.193) 17.720 7.089 ( -7.386 -0.720 2.064) 7.703 7.380 ( 10.159 4.191 -5.367) 12.230 7.469 ( -0.256 -1.178 -1.089) 1.625 7.549 ( -3.937 1.579 2.514) 4.931 7.880 ( 0.820 0.966 -3.121) 3.368 7.926 ( -3.972 1.595 -0.094) 4.281 8.025 ( -12.391 -1.123 -0.975) 12.480 8.203 ( 17.135 -2.350 -2.893) 17.536 8.390 ( -2.899 1.241 15.315) 15.637 8.634 ( 23.632 0.090 -10.299) 25.778 9.456 ( -0.786 2.192 2.344) 3.304 9.873 ( -3.091 4.074 5.198) 7.293 10.162 ( -8.898 0.050 5.433) 10.426 10.266 ( 4.515 -1.487 -9.009) 10.186 10.532 ( -4.179 -3.532 1.787) 5.756 10.690 ( -2.302 -4.722 -6.734) 8.541 10.716 ( -0.548 -2.146 -6.732) 7.087 11.124 ( -1.270 6.167 9.069) 11.040 11.749 ( -11.878 -2.021 2.768) 12.362 11.878 ( 0.470 -1.115 -1.654) 2.049 14.114 ( -3.635 -1.523 -4.766) 6.184 14.230 ( 2.538 1.859 4.066) 5.141 19.311 ( 0.861 0.107 0.407) 0.958 19.624 ( 1.752 0.363 -3.375) 3.820 19.767 ( 2.983 -1.255 7.244) 7.934 20.001 ( 4.582 7.140 -6.707) 10.815 20.166 ( 4.442 5.061 1.831) 6.978 20.864 ( 3.587 -6.656 0.947) 7.620 20.980 ( 2.736 -1.885 -0.614) 3.379 21.168 ( -1.689 -0.009 0.395) 1.735 24.473 ( -8.178 -3.225 0.023) 8.791 24.569 ( -7.055 1.724 0.071) 7.263 26.278 ( 1.124 -0.883 1.270) 1.912 26.400 ( 2.072 0.286 -1.476) 2.559 ======================= Grid point 185 (80/95) ======================= q-point: (-0.44 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -3.902 3.357 0.361) 5.160 1.429 ( 4.145 1.772 0.358) 4.523 1.569 ( 1.855 5.412 3.285) 6.597 1.687 ( 3.303 0.438 -0.393) 3.355 1.848 ( -8.829 13.309 0.659) 15.985 1.936 ( -1.010 -2.593 1.579) 3.200 1.981 ( -2.622 3.144 -3.931) 5.675 2.189 ( 1.602 -3.734 -2.141) 4.593 2.260 ( 2.613 -1.502 2.548) 3.947 2.334 ( -0.630 1.894 1.521) 2.510 2.404 ( 6.080 0.930 2.292) 6.564 2.426 ( -2.233 0.585 -2.930) 3.730 2.575 ( 1.716 2.151 3.505) 4.456 2.687 ( -0.601 -2.060 -1.299) 2.509 2.731 ( 3.529 1.444 -3.856) 5.423 2.920 ( -3.298 -5.646 -2.677) 7.066 2.945 ( -3.457 -1.674 4.508) 5.922 3.016 ( -0.531 -8.918 1.275) 9.024 3.116 ( -4.227 10.676 -6.183) 13.041 3.173 ( -1.027 5.628 0.925) 5.796 3.233 ( -4.472 6.137 -2.693) 8.057 3.369 ( 0.398 6.360 3.446) 7.245 3.431 ( 1.102 3.144 1.478) 3.645 3.623 ( 1.363 -3.491 2.981) 4.788 4.056 ( 1.153 -5.317 -4.675) 7.173 4.175 ( -3.568 -3.227 1.347) 4.996 4.257 ( 3.553 0.599 -0.183) 3.608 4.319 ( -5.612 -0.480 -2.109) 6.014 4.521 ( -0.734 2.418 -0.651) 2.609 4.566 ( -5.149 1.176 0.434) 5.299 4.706 ( -1.635 -1.252 3.766) 4.293 4.844 ( 4.370 1.292 -3.519) 5.757 5.422 ( -8.030 -3.170 3.101) 9.173 5.592 ( -2.596 -4.387 -3.722) 6.312 5.761 ( -4.296 -4.610 -3.922) 7.422 5.931 ( -5.647 -4.034 6.806) 9.720 6.584 ( -22.176 1.127 -0.130) 22.205 6.639 ( -20.981 -1.064 -2.321) 21.135 6.997 ( -9.140 -7.084 2.050) 11.744 7.244 ( -12.446 2.529 5.174) 13.714 7.365 ( -11.537 -4.544 4.492) 13.188 7.623 ( 4.683 0.241 -7.557) 8.894 7.806 ( -1.534 -1.879 -5.461) 5.975 7.842 ( -4.031 0.892 -1.951) 4.566 7.993 ( -0.934 0.594 5.155) 5.272 8.417 ( 6.876 1.387 8.751) 11.215 8.578 ( 20.811 1.842 -6.968) 22.024 9.042 ( 20.652 2.831 -2.648) 21.013 9.440 ( 2.155 0.249 -1.638) 2.718 9.781 ( -4.859 -0.016 6.528) 8.138 9.953 ( -11.581 2.537 1.263) 11.923 10.230 ( -8.137 -0.337 -1.247) 8.238 10.499 ( -2.847 1.340 -3.818) 4.947 10.650 ( -5.061 -6.866 -1.983) 8.757 10.753 ( 0.936 -3.649 -7.948) 8.796 10.997 ( -7.312 3.867 10.132) 13.080 11.532 ( -14.337 -2.826 1.841) 14.728 11.854 ( -5.203 -3.182 -0.738) 6.143 14.066 ( -2.999 -1.943 -3.545) 5.034 14.241 ( 0.531 2.038 2.637) 3.375 19.340 ( 2.363 0.477 1.266) 2.723 19.612 ( -0.757 2.667 -3.275) 4.291 19.854 ( 5.014 0.566 4.913) 7.043 20.003 ( 4.436 8.891 -7.868) 12.674 20.188 ( 5.943 7.353 3.592) 10.114 20.806 ( -3.138 5.446 5.688) 8.477 21.238 ( 14.924 -7.423 0.854) 16.690 21.374 ( 14.346 -12.167 -4.838) 19.423 24.269 ( -17.965 -4.433 -0.153) 18.504 24.334 ( -16.982 0.403 -0.019) 16.986 26.343 ( 4.052 -1.265 1.011) 4.364 26.460 ( 4.624 -0.032 -1.322) 4.809 ======================= Grid point 186 (81/95) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -1.247 4.273 6.704) 8.047 1.468 ( -2.146 8.439 -1.310) 8.805 1.488 ( -2.631 6.616 0.539) 7.140 1.527 ( -9.917 15.584 -2.632) 18.658 1.720 ( 5.883 4.505 0.996) 7.476 1.939 ( -0.313 1.130 -3.654) 3.837 1.970 ( 0.870 -2.380 5.329) 5.900 2.187 ( -3.925 2.844 -3.696) 6.096 2.239 ( 2.052 -0.243 -1.569) 2.595 2.347 ( -4.507 -1.772 1.521) 5.076 2.384 ( 0.694 1.755 -0.186) 1.897 2.468 ( -0.070 -0.308 1.535) 1.568 2.618 ( -9.423 12.002 -11.624) 19.182 2.649 ( 2.295 2.752 4.735) 5.938 2.733 ( 2.831 2.051 0.317) 3.510 2.789 ( -3.366 2.080 -0.986) 4.078 2.843 ( -3.202 1.262 1.947) 3.955 2.979 ( -4.173 1.839 4.785) 6.610 3.071 ( -0.237 1.151 1.399) 1.827 3.134 ( 1.257 -5.548 -0.881) 5.757 3.200 ( 3.209 1.874 -2.590) 4.530 3.330 ( -0.563 0.241 1.201) 1.348 3.470 ( 3.937 -1.655 0.691) 4.326 3.676 ( 1.440 -3.889 1.699) 4.482 4.086 ( -7.075 -2.841 -0.771) 7.663 4.121 ( -3.951 -3.051 -2.247) 5.474 4.188 ( -5.264 -1.886 -2.359) 6.069 4.295 ( -2.975 -3.229 1.264) 4.568 4.521 ( 3.507 2.147 -4.876) 6.378 4.579 ( 7.560 -0.323 2.500) 7.969 4.690 ( -2.250 -0.992 5.945) 6.433 4.934 ( 7.457 0.926 -5.079) 9.070 5.267 ( -12.668 -3.721 3.035) 13.548 5.499 ( -11.872 -2.648 -0.005) 12.164 5.698 ( -3.736 -0.423 -7.334) 8.242 5.917 ( -3.856 -3.537 3.563) 6.331 6.164 ( -20.424 1.296 4.264) 20.904 6.346 ( -13.848 -7.424 -3.106) 16.016 6.846 ( -15.793 -9.794 0.374) 18.587 6.980 ( -13.327 1.926 12.231) 18.191 7.332 ( 2.203 -5.412 -3.146) 6.636 7.652 ( -0.047 1.339 -7.989) 8.101 7.723 ( -5.676 0.512 1.190) 5.822 7.869 ( -0.537 -3.643 1.587) 4.010 7.913 ( -3.609 -0.773 0.522) 3.728 8.514 ( 2.192 2.868 -2.084) 4.168 8.872 ( 15.874 4.201 -1.305) 16.472 9.243 ( 5.495 4.373 0.998) 7.093 9.551 ( 8.670 1.254 -5.881) 10.551 9.734 ( -3.342 -3.539 6.916) 8.458 9.778 ( -2.926 1.275 -0.448) 3.223 10.050 ( -8.678 1.505 3.183) 9.365 10.377 ( -7.883 0.562 -2.422) 8.266 10.640 ( -1.503 -2.818 -8.468) 9.050 10.736 ( -6.328 6.155 4.829) 10.062 10.910 ( -1.818 -12.223 4.993) 13.328 11.300 ( -12.656 -0.593 -2.542) 12.922 11.751 ( -10.204 -4.447 1.714) 11.262 14.045 ( -0.961 -1.625 -2.213) 2.909 14.214 ( -1.497 1.843 1.174) 2.649 19.379 ( 2.563 1.383 1.165) 3.137 19.558 ( -1.662 3.469 -2.874) 4.802 19.919 ( 3.817 3.387 7.974) 9.467 19.985 ( 3.524 9.076 -9.491) 13.597 20.281 ( 11.835 7.216 3.017) 14.186 20.739 ( 1.150 4.534 3.469) 5.824 21.615 ( 16.906 -9.656 5.649) 20.272 21.791 ( 16.553 -14.557 -7.996) 23.449 23.934 ( -22.563 -3.686 1.727) 22.927 23.975 ( -22.359 -0.793 -2.403) 22.502 26.426 ( 4.025 -0.467 -0.237) 4.059 26.556 ( 4.908 -1.216 -0.784) 5.117 ======================= Grid point 187 (82/95) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -2.815 6.122 9.058) 11.289 1.200 ( -8.328 14.759 13.062) 21.396 1.219 ( -7.783 15.262 -11.554) 20.664 1.307 ( -11.444 9.950 -6.827) 16.631 1.793 ( 3.613 6.314 2.816) 7.801 1.890 ( 1.192 8.855 -7.172) 11.458 2.007 ( 1.139 1.245 3.661) 4.031 2.132 ( -1.341 2.552 -6.653) 7.251 2.168 ( -4.104 2.671 -0.895) 4.978 2.211 ( -8.094 7.557 3.802) 11.708 2.350 ( 1.333 1.267 -4.715) 5.061 2.446 ( 2.610 1.879 2.259) 3.930 2.469 ( -6.109 7.145 8.362) 12.582 2.526 ( 2.242 -4.369 -3.257) 5.893 2.727 ( 0.360 1.978 -7.310) 7.581 2.798 ( -1.554 -0.260 1.828) 2.413 2.951 ( 5.293 -4.775 -0.380) 7.139 2.970 ( 3.534 -2.310 6.458) 7.715 3.083 ( 3.459 0.556 1.037) 3.654 3.219 ( 2.646 -4.522 -1.338) 5.407 3.246 ( 1.273 0.217 -1.961) 2.347 3.318 ( -3.050 -4.058 0.910) 5.157 3.589 ( 5.618 -4.274 1.582) 7.234 3.758 ( 4.647 -1.441 -1.054) 4.978 3.943 ( -11.581 -3.446 -3.790) 12.663 4.003 ( -8.206 -0.625 3.413) 8.909 4.153 ( -0.975 -1.228 -0.095) 1.571 4.262 ( -3.324 0.526 -1.538) 3.701 4.587 ( -0.200 -1.500 -1.907) 2.435 4.668 ( -1.407 -3.004 5.553) 6.469 4.735 ( 8.808 -2.224 1.054) 9.145 5.075 ( 1.026 -1.719 -9.644) 9.850 5.128 ( 3.467 -2.165 4.931) 6.405 5.313 ( -6.384 1.860 -1.237) 6.763 5.620 ( -8.553 -1.856 -3.952) 9.603 5.671 ( -13.923 1.771 1.513) 14.116 6.005 ( -4.023 -3.737 2.184) 5.909 6.247 ( -8.449 -5.851 6.295) 12.052 6.675 ( -9.267 -5.995 -5.645) 12.397 6.763 ( -10.155 -1.436 10.103) 14.396 7.467 ( 3.782 -2.922 -7.270) 8.700 7.537 ( -7.992 -0.660 0.638) 8.045 7.658 ( 0.313 -1.984 -2.783) 3.432 7.876 ( 0.355 -0.809 0.740) 1.153 7.964 ( 4.601 -2.498 5.469) 7.571 8.383 ( -10.231 7.107 -6.278) 13.950 9.095 ( 11.324 1.391 5.689) 12.748 9.242 ( 0.162 2.307 -0.814) 2.452 9.624 ( -0.601 0.084 -5.400) 5.434 9.700 ( -2.567 -1.551 6.517) 7.174 9.832 ( 8.915 1.465 -0.755) 9.066 9.936 ( -2.687 2.966 -7.580) 8.571 10.274 ( -4.153 -3.285 3.414) 6.300 10.496 ( -12.329 4.030 5.831) 14.221 10.671 ( 3.766 0.140 -3.168) 4.923 10.974 ( -8.279 -2.250 5.831) 10.373 11.186 ( 4.166 -5.982 -9.186) 11.727 11.583 ( -13.206 -5.713 3.928) 14.915 14.059 ( 1.388 -0.479 -1.566) 2.147 14.158 ( -2.839 1.495 0.701) 3.285 19.405 ( 2.238 2.226 0.646) 3.222 19.488 ( -2.058 3.695 -1.395) 4.454 19.943 ( 2.208 3.934 11.619) 12.464 19.956 ( 2.360 6.742 -11.611) 13.632 20.467 ( 15.343 6.728 2.102) 16.884 20.754 ( 2.151 1.748 2.956) 4.052 22.006 ( 14.022 -12.228 8.318) 20.380 22.180 ( 9.625 -15.194 -10.791) 20.975 23.561 ( -19.084 0.764 2.181) 19.223 23.579 ( -20.171 -0.951 -3.533) 20.500 26.504 ( 4.988 0.137 -2.353) 5.517 26.634 ( 0.975 -2.409 -0.031) 2.599 ======================= Grid point 188 (83/95) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -2.259 8.047 -14.193) 16.471 0.942 ( 2.259 8.047 14.193) 16.471 1.021 ( 2.181 15.294 -16.125) 22.331 1.021 ( -2.181 15.294 16.125) 22.331 1.758 ( -2.283 10.109 -20.340) 22.828 1.758 ( 2.283 10.109 20.340) 22.828 2.014 ( -3.283 5.753 -2.981) 7.263 2.014 ( 3.283 5.753 2.981) 7.263 2.149 ( 1.590 -0.993 -4.397) 4.780 2.149 ( -1.590 -0.993 4.397) 4.780 2.356 ( 2.008 0.850 -13.453) 13.629 2.356 ( -2.008 0.850 13.453) 13.629 2.556 ( -2.397 -3.616 -3.919) 5.846 2.556 ( 2.397 -3.616 3.919) 5.846 2.754 ( 2.911 -0.060 -9.109) 9.563 2.754 ( -2.911 -0.060 9.109) 9.563 3.033 ( -0.411 -3.590 -1.933) 4.097 3.033 ( 0.411 -3.590 1.933) 4.097 3.202 ( -5.944 -0.566 -2.819) 6.602 3.202 ( 5.944 -0.566 2.819) 6.602 3.308 ( 0.047 -3.744 -1.339) 3.977 3.308 ( -0.047 -3.744 1.339) 3.977 3.756 ( -8.925 -2.272 -3.883) 9.995 3.756 ( 8.925 -2.272 3.883) 9.995 3.869 ( 0.866 0.008 -3.480) 3.586 3.869 ( -0.866 0.008 3.480) 3.586 4.181 ( -3.211 0.536 -1.765) 3.703 4.181 ( 3.211 0.536 1.765) 3.703 4.613 ( 3.661 -2.697 -3.467) 5.718 4.613 ( -3.661 -2.697 3.467) 5.718 4.994 ( -9.186 -4.508 -2.818) 10.614 4.994 ( 9.186 -4.508 2.818) 10.614 5.242 ( -4.672 4.304 -2.113) 6.694 5.242 ( 4.672 4.304 2.113) 6.694 5.548 ( 0.958 -4.636 -1.963) 5.125 5.548 ( -0.958 -4.636 1.963) 5.125 6.053 ( 8.352 2.365 -7.807) 11.674 6.053 ( -8.352 2.365 7.807) 11.674 6.671 ( -0.482 -3.820 -8.500) 9.331 6.671 ( 0.482 -3.820 8.500) 9.331 7.469 ( -0.203 -1.392 -4.844) 5.044 7.469 ( 0.203 -1.392 4.844) 5.044 7.828 ( 7.939 -4.657 -5.288) 10.615 7.828 ( -7.939 -4.657 5.288) 10.615 8.097 ( -8.020 6.397 -7.003) 12.421 8.097 ( 8.020 6.397 7.003) 12.421 9.223 ( -0.509 0.015 -12.316) 12.327 9.223 ( 0.509 0.015 12.316) 12.327 9.636 ( -0.600 -0.102 -0.854) 1.048 9.636 ( 0.600 -0.102 0.854) 1.048 9.926 ( 1.635 1.496 -9.151) 9.416 9.926 ( -1.635 1.496 9.151) 9.416 10.290 ( -1.945 -1.241 -2.383) 3.317 10.290 ( 1.945 -1.241 2.383) 3.317 10.775 ( -3.532 3.152 -8.249) 9.511 10.775 ( 3.532 3.152 8.249) 9.511 11.417 ( 6.199 -6.599 -4.609) 10.160 11.417 ( -6.199 -6.599 4.609) 10.160 14.095 ( 1.036 0.859 -2.654) 2.975 14.095 ( -1.036 0.859 2.654) 2.975 19.420 ( -1.370 2.560 -0.787) 3.008 19.420 ( 1.370 2.560 0.787) 3.008 19.932 ( 0.619 3.223 -12.932) 13.342 19.932 ( -0.619 3.223 12.932) 13.342 20.678 ( -10.517 2.844 1.067) 10.947 20.678 ( 10.517 2.844 -1.067) 10.947 22.341 ( -6.629 -13.501 -12.063) 19.281 22.341 ( 6.629 -13.501 12.063) 19.281 23.349 ( 1.204 2.610 -5.537) 6.238 23.349 ( -1.204 2.610 5.537) 6.238 26.610 ( -1.963 -1.380 -0.199) 2.407 26.610 ( 1.963 -1.380 0.199) 2.407 ======================= Grid point 192 (84/95) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 9.941 0.000 5.395) 11.311 1.365 ( -1.886 -0.000 1.751) 2.574 1.501 ( 5.703 0.000 -2.151) 6.096 1.682 ( 3.512 0.000 0.266) 3.523 1.792 ( 3.048 0.000 7.837) 8.409 1.911 ( 11.433 0.000 -6.863) 13.335 2.058 ( -4.681 -0.000 1.260) 4.848 2.138 ( -1.218 -0.000 -7.740) 7.836 2.246 ( 0.436 0.000 2.336) 2.376 2.269 ( -3.232 -0.000 1.336) 3.497 2.447 ( 6.144 0.000 2.519) 6.640 2.448 ( 2.405 0.000 -4.907) 5.464 2.527 ( -0.268 -0.000 1.708) 1.729 2.633 ( -1.769 -0.000 4.401) 4.743 2.687 ( 0.718 0.000 -4.634) 4.689 2.830 ( -0.049 -0.000 6.465) 6.465 2.905 ( -7.274 -0.000 -4.342) 8.472 2.907 ( -1.254 -0.000 3.047) 3.295 3.117 ( 5.180 0.000 -7.971) 9.506 3.233 ( 3.279 0.000 -5.290) 6.224 3.313 ( 7.993 0.000 7.175) 10.741 3.433 ( 5.954 0.000 0.563) 5.980 3.496 ( -1.589 -0.000 4.644) 4.909 3.791 ( -4.421 -0.000 -3.814) 5.839 4.044 ( -1.432 -0.000 -2.196) 2.622 4.078 ( -7.464 -0.000 -3.238) 8.136 4.324 ( 3.335 0.000 -1.424) 3.627 4.378 ( 2.065 0.000 4.378) 4.840 4.591 ( -1.916 -0.000 4.059) 4.488 4.639 ( 3.882 0.000 1.038) 4.018 4.698 ( 3.193 0.000 2.186) 3.869 4.731 ( 1.458 0.000 -4.233) 4.477 5.569 ( 0.807 0.000 -8.869) 8.905 5.693 ( -3.541 -0.000 8.280) 9.006 5.795 ( -9.927 -0.000 -1.261) 10.006 5.996 ( 2.017 0.000 2.524) 3.231 6.963 ( 22.221 0.000 -1.163) 22.251 6.975 ( 0.135 0.000 6.572) 6.573 7.107 ( 9.901 0.000 -1.648) 10.037 7.304 ( -4.891 -0.000 -8.831) 10.095 7.591 ( -3.702 -0.000 3.620) 5.178 7.621 ( -8.152 -0.000 0.147) 8.153 7.839 ( 10.152 0.000 5.201) 11.407 7.978 ( 1.030 0.000 -3.343) 3.498 8.107 ( -3.862 -0.000 1.957) 4.330 8.180 ( 4.202 0.000 -11.804) 12.529 8.271 ( -2.562 -0.000 -5.550) 6.113 8.590 ( -17.384 -0.000 13.395) 21.946 9.513 ( 1.782 0.000 6.749) 6.981 10.023 ( 11.365 0.000 -20.299) 23.264 10.099 ( -4.120 -0.000 18.136) 18.599 10.151 ( 0.032 0.000 0.605) 0.605 10.563 ( 12.332 0.000 -11.775) 17.051 10.615 ( -3.361 -0.000 13.157) 13.580 10.690 ( -7.240 -0.000 -14.866) 16.535 11.200 ( 2.786 0.000 8.268) 8.725 11.812 ( 7.068 0.000 -1.095) 7.152 11.908 ( -7.229 -0.000 1.890) 7.472 14.157 ( -2.715 -0.000 -5.109) 5.786 14.197 ( 3.778 0.000 4.533) 5.902 19.320 ( -1.547 -0.000 -1.146) 1.926 19.536 ( 4.368 0.000 -1.359) 4.575 19.711 ( 1.416 0.000 10.312) 10.409 20.025 ( 3.733 0.000 -4.885) 6.148 20.117 ( 10.043 0.000 -5.768) 11.582 20.578 ( 2.193 0.000 0.468) 2.243 21.103 ( -14.297 -0.000 -3.632) 14.751 21.419 ( -15.159 -0.000 6.041) 16.318 24.476 ( 3.096 0.000 0.815) 3.201 24.620 ( 5.553 0.000 -0.345) 5.563 26.305 ( -5.366 -0.000 2.294) 5.836 26.393 ( -0.347 -0.000 -2.603) 2.626 ======================= Grid point 193 (85/95) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -0.935 2.633 -1.921) 3.391 1.406 ( 1.456 -2.811 1.811) 3.647 1.568 ( 4.355 2.719 1.812) 5.445 1.688 ( 3.201 3.285 0.247) 4.593 1.910 ( 5.487 -1.079 9.583) 11.095 1.944 ( -4.261 -0.602 -1.520) 4.564 2.091 ( 4.506 0.553 -2.417) 5.143 2.129 ( 1.046 -2.556 -4.122) 4.962 2.242 ( -0.356 1.658 -0.864) 1.903 2.321 ( 5.159 -2.271 1.980) 5.974 2.433 ( -1.458 5.301 -1.957) 5.836 2.501 ( -0.951 0.591 -1.775) 2.099 2.543 ( 3.211 -0.446 2.139) 3.884 2.646 ( -0.312 -1.440 1.346) 1.996 2.684 ( 0.533 -0.249 -4.604) 4.641 2.752 ( -5.554 -1.809 -1.648) 6.069 2.808 ( -2.368 -5.802 4.930) 7.973 2.952 ( 0.819 -0.613 4.688) 4.798 3.187 ( 2.654 -0.149 -4.214) 4.982 3.293 ( 3.087 1.052 -3.598) 4.857 3.444 ( 4.901 1.387 5.169) 7.257 3.497 ( 5.381 3.483 0.439) 6.425 3.521 ( 0.880 0.036 1.800) 2.004 3.662 ( -2.868 7.495 -3.224) 8.648 3.971 ( -5.349 -3.624 -3.242) 7.229 4.041 ( -1.645 -2.761 -3.267) 4.583 4.353 ( 1.310 3.376 0.616) 3.673 4.390 ( -0.919 0.281 1.139) 1.490 4.574 ( 0.602 0.902 1.069) 1.523 4.674 ( -1.128 -0.819 -0.894) 1.657 4.720 ( -1.385 0.421 1.487) 2.075 4.772 ( 2.236 -1.143 0.260) 2.524 5.522 ( -7.569 -0.262 -1.380) 7.698 5.567 ( -4.924 1.668 0.578) 5.230 5.679 ( -6.152 -6.037 -3.445) 9.282 5.962 ( -5.922 -1.129 6.182) 8.635 6.877 ( -9.709 -1.589 2.550) 10.163 6.979 ( -19.106 -0.563 0.528) 19.122 7.094 ( -9.518 0.450 0.114) 9.529 7.409 ( 16.435 -0.095 -7.569) 18.095 7.477 ( -7.883 1.014 -0.380) 7.957 7.588 ( -6.234 1.726 4.211) 7.718 7.895 ( -8.052 0.474 -8.998) 12.084 7.964 ( -4.191 1.572 2.364) 5.062 7.993 ( -7.349 -1.437 1.536) 7.644 8.163 ( 21.707 -1.490 -0.859) 21.775 8.408 ( -3.117 0.579 12.443) 12.840 8.632 ( 25.309 -0.173 -9.447) 27.015 9.498 ( -2.982 1.610 5.110) 6.132 9.987 ( -3.632 6.535 12.901) 14.911 10.143 ( -4.035 -1.648 4.075) 5.967 10.218 ( 7.728 -4.011 -15.822) 18.059 10.478 ( -10.203 1.199 -2.299) 10.528 10.571 ( -8.548 -6.917 -1.372) 11.081 10.713 ( 4.704 0.492 -12.122) 13.012 11.227 ( 0.304 3.463 10.978) 11.515 11.711 ( -14.624 -1.487 4.337) 15.326 11.865 ( -0.752 -0.283 -2.433) 2.562 14.094 ( -3.863 -0.534 -4.305) 5.809 14.256 ( 2.700 0.790 3.275) 4.317 19.314 ( 0.986 0.100 0.513) 1.116 19.616 ( 3.690 -0.606 -5.180) 6.389 19.768 ( 4.384 0.584 9.636) 10.602 20.094 ( 5.227 2.332 -2.896) 6.414 20.301 ( 12.034 7.542 -4.964) 15.045 20.680 ( 4.905 -8.973 2.200) 10.460 20.956 ( -1.060 -0.992 -2.472) 2.867 21.196 ( -8.209 1.437 3.316) 8.970 24.428 ( -8.925 -1.311 0.156) 9.022 24.592 ( -8.179 0.648 0.117) 8.206 26.265 ( 0.698 -0.400 1.397) 1.612 26.404 ( 1.906 0.124 -1.763) 2.599 ======================= Grid point 194 (86/95) ======================= q-point: (-0.56 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -2.210 4.382 -1.675) 5.186 1.446 ( 2.991 -0.910 1.449) 3.446 1.626 ( 4.103 2.418 0.814) 4.832 1.755 ( 8.100 5.447 1.217) 9.837 1.900 ( -2.433 -0.547 2.156) 3.297 1.977 ( -0.451 -1.102 -1.918) 2.258 2.098 ( -3.629 7.983 3.061) 9.288 2.141 ( 2.029 -0.164 -3.039) 3.658 2.243 ( 2.890 0.510 3.548) 4.604 2.371 ( 0.433 0.789 0.490) 1.025 2.409 ( -0.289 0.187 0.051) 0.348 2.458 ( 0.195 1.955 -3.447) 3.968 2.590 ( -0.069 -2.407 0.363) 2.435 2.636 ( 0.480 -2.732 -3.777) 4.686 2.715 ( 2.920 -0.714 2.005) 3.613 2.785 ( 0.741 -6.090 -5.296) 8.105 2.853 ( -0.083 -6.822 3.914) 7.865 2.936 ( -2.499 0.310 5.795) 6.319 3.202 ( -0.527 1.280 -1.062) 1.745 3.300 ( 0.348 4.242 -2.866) 5.131 3.400 ( -5.917 8.354 -0.319) 10.242 3.471 ( 1.622 3.857 2.144) 4.701 3.564 ( 4.438 8.357 1.038) 9.519 3.617 ( 1.373 4.344 -1.408) 4.769 3.955 ( -0.938 -5.435 -3.650) 6.614 4.052 ( -1.862 -7.733 -0.808) 7.995 4.295 ( -5.102 2.166 4.007) 6.839 4.311 ( -8.599 -0.363 -4.460) 9.694 4.583 ( 2.322 3.372 -1.180) 4.261 4.598 ( -3.751 2.467 1.794) 4.835 4.676 ( -2.660 -1.772 2.336) 3.959 4.845 ( 4.311 -1.120 -2.786) 5.253 5.371 ( -9.142 -1.857 0.065) 9.329 5.511 ( -4.301 -3.784 0.391) 5.742 5.656 ( -2.419 -5.674 -5.790) 8.460 5.846 ( -8.255 -4.117 9.994) 13.600 6.574 ( -24.037 -0.867 -0.215) 24.053 6.649 ( -17.692 0.595 -1.944) 17.808 6.909 ( -11.834 -2.137 -1.633) 12.136 7.269 ( -15.327 0.661 6.998) 16.862 7.304 ( -14.040 -1.974 5.509) 15.211 7.622 ( 6.058 -0.367 -9.333) 11.133 7.769 ( -3.447 -1.740 -7.887) 8.782 7.877 ( -3.947 2.201 -2.323) 5.082 8.008 ( -0.261 0.792 6.088) 6.145 8.403 ( 4.305 -1.784 11.110) 12.048 8.623 ( 24.717 2.365 -8.151) 26.134 9.084 ( 23.380 1.583 -2.354) 23.551 9.426 ( -2.166 -1.229 1.695) 3.013 9.856 ( -4.302 6.703 9.049) 12.055 10.008 ( -10.118 3.072 0.264) 10.577 10.239 ( -7.672 1.650 -1.888) 8.071 10.410 ( -0.632 -8.934 -8.848) 12.590 10.490 ( -6.983 -9.276 -0.157) 11.612 10.722 ( -1.900 0.654 -10.896) 11.080 11.119 ( -7.585 7.015 11.938) 15.788 11.461 ( -15.265 -4.538 3.945) 16.406 11.812 ( -5.377 -1.222 -1.779) 5.794 14.036 ( -2.993 -1.176 -2.179) 3.884 14.277 ( 0.552 1.506 1.081) 1.935 19.351 ( 3.113 0.491 1.999) 3.732 19.645 ( -0.025 0.905 -6.989) 7.048 19.878 ( 8.119 1.624 7.902) 11.446 20.151 ( 5.411 6.088 -4.178) 9.154 20.379 ( 8.869 12.547 -0.329) 15.369 20.842 ( 0.479 -3.828 4.455) 5.893 21.087 ( 11.643 -6.536 -0.836) 13.378 21.183 ( 6.875 -6.985 -1.731) 9.953 24.197 ( -18.180 -2.879 -0.367) 18.410 24.340 ( -18.245 0.189 0.485) 18.253 26.324 ( 4.505 -0.682 0.435) 4.577 26.458 ( 3.893 -0.160 -0.855) 3.989 ======================= Grid point 195 (87/95) ======================= q-point: (-0.44 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 2.770 7.291 3.375) 8.499 1.538 ( 5.497 1.996 -1.639) 6.074 1.634 ( -0.830 5.025 0.324) 5.103 1.773 ( -8.553 8.407 1.383) 12.073 1.849 ( 7.407 6.100 3.293) 10.145 1.940 ( 0.591 4.100 -4.242) 5.929 1.996 ( 0.734 3.693 1.106) 3.924 2.181 ( 0.548 -3.722 -4.071) 5.543 2.250 ( -5.172 2.501 -0.873) 5.811 2.290 ( -1.355 -2.500 5.005) 5.756 2.454 ( 0.852 3.855 -1.236) 4.137 2.475 ( 0.608 0.629 -0.517) 1.016 2.626 ( 4.243 -3.162 -1.420) 5.479 2.680 ( 2.996 -2.217 -2.127) 4.291 2.777 ( -4.573 -3.279 -3.733) 6.753 2.805 ( 1.738 1.271 -1.334) 2.533 2.885 ( -3.137 1.633 8.623) 9.320 2.941 ( 2.028 -8.278 1.230) 8.611 3.125 ( -4.410 7.344 -3.026) 9.085 3.203 ( -1.913 8.382 -2.859) 9.060 3.248 ( -1.926 6.652 0.850) 6.978 3.423 ( -2.866 6.783 5.270) 9.055 3.510 ( 2.144 6.775 -0.303) 7.113 3.623 ( 2.276 -0.870 0.182) 2.444 4.011 ( -3.721 -5.093 -5.636) 8.459 4.053 ( -4.266 -4.317 1.771) 6.322 4.147 ( -7.502 -2.863 -2.791) 8.501 4.202 ( -4.396 -5.888 2.602) 7.795 4.572 ( 0.667 2.034 -3.615) 4.201 4.584 ( 3.683 2.128 1.076) 4.388 4.672 ( -0.904 -0.713 4.786) 4.922 4.936 ( 5.169 -0.954 -5.682) 7.741 5.201 ( -11.942 -2.642 2.134) 12.416 5.424 ( -9.979 -4.945 3.008) 11.536 5.667 ( -1.544 -2.754 -6.788) 7.486 5.825 ( -0.809 -5.634 8.282) 10.049 6.171 ( -21.301 -3.148 -0.432) 21.537 6.251 ( -22.638 0.175 -1.862) 22.715 6.696 ( -13.992 -5.664 -2.146) 15.247 7.006 ( -13.348 1.246 12.968) 18.652 7.226 ( 0.660 -5.348 -2.930) 6.133 7.656 ( -2.015 -0.652 -8.566) 8.824 7.765 ( -1.905 2.879 1.182) 3.649 7.794 ( -1.217 -3.723 0.244) 3.925 7.917 ( -6.550 0.418 0.614) 6.592 8.518 ( 3.199 -1.546 1.420) 3.826 8.954 ( 14.655 4.464 -4.260) 15.901 9.289 ( 2.389 -0.180 -0.473) 2.442 9.574 ( 12.700 1.448 -3.894) 13.362 9.749 ( -1.365 4.489 6.557) 8.063 9.809 ( -4.719 1.918 1.412) 5.286 10.075 ( -7.441 0.909 0.479) 7.512 10.321 ( -12.338 -5.667 3.250) 13.961 10.601 ( 5.509 -2.587 -11.860) 13.331 10.671 ( -3.720 -9.501 -0.616) 10.222 10.878 ( -10.718 6.823 7.512) 14.760 11.257 ( -12.287 -4.172 -0.412) 12.983 11.692 ( -9.513 -1.359 1.608) 9.743 14.016 ( -0.353 -1.347 0.285) 1.421 14.250 ( -1.711 1.757 -1.262) 2.758 19.408 ( 3.748 1.429 2.689) 4.829 19.610 ( -1.519 2.059 -6.268) 6.770 20.001 ( 7.443 4.836 7.803) 11.818 20.164 ( 4.091 9.109 -5.841) 11.568 20.444 ( 11.083 10.132 -0.445) 15.022 20.816 ( -0.710 3.138 4.092) 5.205 21.421 ( 13.944 -10.660 4.578) 18.139 21.502 ( 13.755 -15.007 -5.995) 21.221 23.861 ( -21.249 -3.489 -0.047) 21.534 23.968 ( -22.120 -0.218 -0.180) 22.122 26.418 ( 4.991 -0.346 -0.730) 5.056 26.535 ( 3.781 -0.909 0.132) 3.891 ======================= Grid point 196 (88/95) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 2.518 10.524 7.508) 13.170 1.451 ( -10.133 11.196 -1.984) 15.231 1.488 ( -4.764 11.433 7.069) 14.261 1.519 ( -5.794 12.770 -11.145) 17.912 1.913 ( 4.135 2.635 4.854) 6.899 1.949 ( 2.676 2.478 -4.424) 5.733 2.052 ( 8.642 3.596 3.756) 10.085 2.160 ( -0.537 1.125 -2.681) 2.956 2.237 ( -2.626 -2.774 0.094) 3.821 2.310 ( 3.342 0.442 -1.612) 3.737 2.366 ( -5.325 6.312 -0.152) 8.260 2.430 ( -1.784 -1.843 -0.808) 2.689 2.612 ( -2.534 11.543 -8.294) 14.438 2.701 ( -4.151 10.979 6.532) 13.433 2.751 ( -0.967 -1.149 -0.926) 1.764 2.796 ( 1.990 2.115 -0.767) 3.003 2.842 ( 2.473 -6.067 0.475) 6.569 2.968 ( -1.812 3.075 1.985) 4.084 3.099 ( 4.885 -5.102 -1.024) 7.137 3.142 ( 1.979 4.189 1.557) 4.888 3.208 ( -1.166 -3.232 0.375) 3.456 3.313 ( -3.808 3.503 -0.182) 5.177 3.546 ( 5.097 0.018 2.225) 5.562 3.714 ( 4.941 -2.710 -0.712) 5.681 3.885 ( -9.173 -2.512 -5.076) 10.780 3.981 ( -7.127 -1.746 4.061) 8.387 4.117 ( -0.324 -2.836 -1.385) 3.172 4.236 ( -1.217 -3.790 -0.373) 3.998 4.562 ( -0.925 -1.629 -5.888) 6.178 4.617 ( -4.521 -1.610 7.663) 9.042 4.690 ( 6.165 -2.189 -0.556) 6.565 5.005 ( -6.393 -4.916 -1.994) 8.307 5.097 ( 6.363 -0.574 1.576) 6.580 5.316 ( -4.414 -1.707 0.325) 4.744 5.580 ( -9.878 -1.647 -3.597) 10.641 5.716 ( -16.812 2.730 1.958) 17.144 5.925 ( -2.346 -5.199 3.118) 6.500 6.078 ( -5.833 -10.736 1.502) 12.310 6.562 ( -4.891 -4.612 -11.055) 12.939 6.766 ( -12.372 1.023 16.637) 20.758 7.365 ( 6.176 -6.339 -9.195) 12.762 7.563 ( -6.896 2.075 1.819) 7.428 7.628 ( -4.941 -1.639 -2.446) 5.752 7.819 ( -6.213 -4.505 1.742) 7.870 7.955 ( 12.242 0.506 6.123) 13.698 8.461 ( -9.460 1.768 -9.598) 13.592 9.117 ( 8.000 1.214 1.904) 8.312 9.270 ( -2.546 0.377 -1.063) 2.785 9.675 ( 0.622 4.614 -7.270) 8.633 9.683 ( -0.646 0.232 6.968) 7.002 9.838 ( 4.511 -0.557 3.818) 5.936 10.007 ( -1.859 3.375 -2.634) 4.667 10.196 ( -1.841 -3.735 2.334) 4.773 10.554 ( -11.980 -0.683 7.689) 14.251 10.696 ( 3.124 3.152 -4.156) 6.080 10.861 ( 6.004 -7.153 -1.485) 9.456 11.107 ( -5.673 -3.777 -5.957) 9.052 11.493 ( -14.378 -2.743 4.858) 15.422 14.048 ( 2.564 -0.646 1.787) 3.192 14.186 ( -3.371 1.401 -2.566) 4.462 19.454 ( 3.221 2.581 2.533) 4.843 19.551 ( -2.026 2.885 -4.271) 5.538 20.052 ( 4.280 7.348 9.386) 12.665 20.119 ( 1.430 9.916 -8.392) 13.069 20.589 ( 12.625 6.132 -1.433) 14.108 20.794 ( 0.504 2.351 2.985) 3.833 21.764 ( 10.731 -13.075 9.759) 19.528 21.865 ( 8.120 -17.287 -9.554) 21.355 23.540 ( -15.773 -1.860 1.376) 15.942 23.587 ( -17.998 0.849 -2.036) 18.132 26.505 ( 4.595 -0.032 -2.212) 5.099 26.595 ( 0.911 -1.655 1.329) 2.310 ======================= Grid point 197 (89/95) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -3.624 12.333 -13.202) 18.426 1.139 ( 3.624 12.333 13.202) 18.426 1.322 ( -0.818 15.027 -15.672) 21.728 1.322 ( 0.818 15.027 15.672) 21.728 1.939 ( -1.218 5.287 -5.038) 7.404 1.939 ( 1.218 5.287 5.038) 7.404 2.117 ( -2.120 3.320 -2.938) 4.914 2.117 ( 2.120 3.320 2.938) 4.914 2.189 ( 1.102 8.777 -6.781) 11.146 2.189 ( -1.102 8.777 6.781) 11.146 2.426 ( -4.828 -2.583 -6.035) 8.148 2.426 ( 4.828 -2.583 6.035) 8.148 2.507 ( 1.510 7.564 -10.687) 13.180 2.507 ( -1.510 7.564 10.687) 13.180 2.764 ( 2.283 1.056 -4.660) 5.296 2.764 ( -2.283 1.056 4.660) 5.296 2.953 ( -0.147 -4.522 -3.858) 5.946 2.953 ( 0.147 -4.522 3.858) 5.946 3.200 ( -4.793 0.007 -2.341) 5.334 3.200 ( 4.793 0.007 2.341) 5.334 3.223 ( -0.541 -4.133 -3.787) 5.632 3.223 ( 0.541 -4.133 3.787) 5.632 3.700 ( -9.769 -3.265 -3.300) 10.816 3.700 ( 9.769 -3.265 3.300) 10.816 3.867 ( 0.344 -0.168 -2.430) 2.460 3.867 ( -0.344 -0.168 2.430) 2.460 4.181 ( -3.489 -0.887 0.383) 3.621 4.181 ( 3.489 -0.887 -0.383) 3.621 4.568 ( 2.130 -2.169 -6.054) 6.775 4.568 ( -2.130 -2.169 6.054) 6.775 4.902 ( 0.281 -5.500 -4.593) 7.171 4.902 ( -0.281 -5.500 4.593) 7.171 5.264 ( -2.364 -1.216 -3.525) 4.415 5.264 ( 2.364 -1.216 3.525) 4.415 5.487 ( -0.810 -1.202 0.021) 1.449 5.487 ( 0.810 -1.202 -0.021) 1.449 6.036 ( 1.950 -4.706 -8.690) 10.072 6.036 ( -1.950 -4.706 8.690) 10.072 6.603 ( 5.599 -2.513 -13.178) 14.537 6.603 ( -5.599 -2.513 13.178) 14.537 7.452 ( 1.881 -0.575 -6.176) 6.481 7.452 ( -1.881 -0.575 6.176) 6.481 7.732 ( 8.567 -5.473 -5.606) 11.610 7.732 ( -8.567 -5.473 5.606) 11.610 8.193 ( -13.022 3.451 -9.956) 16.751 8.193 ( 13.022 3.451 9.956) 16.751 9.221 ( -0.079 -0.203 -11.956) 11.958 9.221 ( 0.079 -0.203 11.956) 11.958 9.648 ( 2.749 1.683 -4.726) 5.720 9.648 ( -2.749 1.683 4.726) 5.720 9.936 ( -1.071 -0.809 -8.274) 8.382 9.936 ( 1.071 -0.809 8.274) 8.382 10.305 ( 3.767 2.462 -9.311) 10.341 10.305 ( -3.767 2.462 9.311) 10.341 10.818 ( -1.867 0.774 -10.103) 10.303 10.818 ( 1.867 0.774 10.103) 10.303 11.276 ( 7.297 -7.104 -5.571) 11.608 11.276 ( -7.297 -7.104 5.571) 11.608 14.109 ( -2.015 0.598 -3.920) 4.448 14.109 ( 2.015 0.598 3.920) 4.448 19.479 ( -2.520 3.288 -2.051) 4.622 19.479 ( 2.520 3.288 2.051) 4.622 20.033 ( -0.882 7.515 -10.743) 13.141 20.033 ( 0.882 7.515 10.743) 13.141 20.735 ( 1.487 2.853 -1.473) 3.538 20.735 ( -1.487 2.853 1.473) 3.538 22.053 ( -4.724 -16.054 -11.335) 20.212 22.053 ( 4.724 -16.054 11.335) 20.212 23.387 ( 0.023 1.354 -6.629) 6.766 23.387 ( -0.023 1.354 6.629) 6.766 26.585 ( 2.731 -1.128 -2.587) 3.927 26.585 ( -2.731 -1.128 2.587) 3.927 ======================= Grid point 203 (90/95) ======================= q-point: (-0.67 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -1.018 -0.000 -2.177) 2.404 1.420 ( 2.906 0.000 2.266) 3.685 1.674 ( 3.727 0.000 -1.646) 4.075 1.793 ( 5.441 0.000 0.105) 5.442 1.918 ( 2.879 0.000 0.787) 2.985 1.954 ( -0.353 -0.000 5.344) 5.356 2.123 ( 2.770 0.000 -3.459) 4.432 2.182 ( 1.327 0.000 2.932) 3.218 2.282 ( 4.025 0.000 2.155) 4.566 2.350 ( -3.513 -0.000 -1.192) 3.710 2.427 ( -6.232 -0.000 0.993) 6.310 2.460 ( 2.781 0.000 -1.228) 3.040 2.572 ( -2.392 -0.000 -9.516) 9.812 2.582 ( 1.623 0.000 1.670) 2.328 2.717 ( 3.570 0.000 -3.944) 5.320 2.752 ( 0.029 0.000 8.264) 8.264 2.766 ( 2.228 0.000 -1.125) 2.496 2.942 ( -2.095 -0.000 7.520) 7.806 3.211 ( 0.155 0.000 -2.810) 2.814 3.339 ( 1.129 0.000 -1.765) 2.095 3.472 ( -3.739 -0.000 1.782) 4.142 3.504 ( 1.362 0.000 1.105) 1.753 3.661 ( 8.371 0.000 -0.949) 8.424 3.728 ( 3.005 0.000 -1.919) 3.565 3.857 ( -3.363 -0.000 -4.170) 5.357 3.968 ( -4.286 -0.000 -0.686) 4.340 4.300 ( -9.854 -0.000 -4.532) 10.846 4.324 ( -8.426 -0.000 4.812) 9.703 4.621 ( -2.477 -0.000 -0.044) 2.477 4.631 ( 3.443 0.000 0.648) 3.503 4.657 ( -2.942 -0.000 0.625) 3.008 4.824 ( 3.881 0.000 -1.302) 4.094 5.355 ( -10.381 -0.000 -2.107) 10.593 5.470 ( -5.360 -0.000 4.091) 6.743 5.594 ( -0.363 -0.000 -7.999) 8.007 5.803 ( -9.634 -0.000 11.532) 15.026 6.566 ( -24.930 -0.000 -0.121) 24.930 6.652 ( -15.107 -0.000 -1.817) 15.216 6.895 ( -13.420 -0.000 -3.510) 13.871 7.280 ( -13.200 -0.000 7.253) 15.061 7.283 ( -18.280 -0.000 6.315) 19.340 7.616 ( 5.782 0.000 -9.728) 11.317 7.751 ( -3.657 -0.000 -8.939) 9.658 7.901 ( -4.237 -0.000 -2.783) 5.069 8.017 ( 0.128 0.000 6.895) 6.897 8.382 ( 4.079 0.000 12.418) 13.070 8.648 ( 25.481 0.000 -8.834) 26.969 9.099 ( 24.742 0.000 -2.254) 24.844 9.413 ( -4.754 -0.000 2.366) 5.310 9.949 ( -5.254 -0.000 15.849) 16.697 10.044 ( -8.342 -0.000 0.150) 8.343 10.277 ( -8.718 -0.000 -13.352) 15.946 10.318 ( 4.063 0.000 -14.361) 14.925 10.343 ( -10.291 -0.000 8.790) 13.534 10.733 ( -2.570 -0.000 -10.319) 10.634 11.205 ( -6.252 -0.000 11.246) 12.867 11.398 ( -17.535 -0.000 5.258) 18.307 11.802 ( -4.987 -0.000 -2.164) 5.436 14.024 ( -3.008 -0.000 -1.579) 3.397 14.292 ( 0.552 0.000 0.421) 0.694 19.356 ( 3.356 0.000 2.374) 4.111 19.652 ( 0.585 0.000 -8.233) 8.254 19.896 ( 8.947 0.000 8.667) 12.457 20.214 ( 6.426 0.000 -1.849) 6.686 20.601 ( 13.088 0.000 -7.801) 15.236 20.684 ( 3.087 0.000 6.477) 7.175 21.040 ( 9.704 0.000 1.466) 9.814 21.117 ( -0.270 -0.000 -0.843) 0.885 24.168 ( -18.226 -0.000 -0.366) 18.230 24.342 ( -18.702 -0.000 0.603) 18.712 26.318 ( 4.715 0.000 0.144) 4.717 26.456 ( 3.605 0.000 -0.609) 3.656 ======================= Grid point 205 (91/95) ======================= q-point: (-0.56 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 7.334 5.510 1.002) 9.227 1.534 ( 8.049 -1.974 2.448) 8.642 1.682 ( -0.486 1.053 -3.747) 3.922 1.843 ( -1.886 1.140 5.103) 5.559 1.946 ( 0.889 -0.147 -5.916) 5.985 1.971 ( 1.816 4.113 0.277) 4.505 2.145 ( -2.264 0.022 -5.993) 6.406 2.166 ( 3.276 8.927 4.789) 10.647 2.253 ( -9.340 -0.490 4.122) 10.221 2.284 ( -1.317 0.003 0.239) 1.338 2.428 ( 6.409 -5.030 4.785) 9.448 2.508 ( 0.691 0.615 -5.188) 5.269 2.562 ( 1.208 -1.657 -5.935) 6.280 2.626 ( 0.717 -3.039 -1.619) 3.517 2.739 ( -0.363 1.247 1.984) 2.371 2.795 ( 4.494 -1.874 -4.294) 6.492 2.832 ( 2.984 -2.651 2.833) 4.895 2.903 ( -1.823 0.296 9.173) 9.357 3.178 ( -3.294 1.050 -0.677) 3.523 3.321 ( -2.007 2.379 -2.324) 3.885 3.413 ( -0.376 6.555 0.786) 6.612 3.503 ( -0.622 1.367 1.088) 1.854 3.678 ( -1.376 7.325 -1.426) 7.588 3.698 ( -0.500 8.374 0.242) 8.392 3.914 ( 0.173 -4.426 -4.216) 6.115 3.939 ( 0.524 -7.293 -0.616) 7.338 4.085 ( -10.921 -1.998 -3.617) 11.676 4.115 ( -11.787 -3.165 6.001) 13.600 4.601 ( 0.174 1.533 2.275) 2.748 4.629 ( -0.200 0.480 -2.074) 2.138 4.675 ( 0.229 1.456 -2.129) 2.590 4.896 ( 2.414 -2.390 -2.989) 4.524 5.181 ( -7.582 0.221 0.940) 7.643 5.336 ( -10.985 -3.350 5.644) 12.796 5.615 ( 0.805 -1.964 -6.222) 6.575 5.735 ( 0.437 -3.005 9.707) 10.171 6.113 ( -24.162 -1.633 -3.183) 24.426 6.281 ( -25.176 1.272 0.395) 25.211 6.631 ( -12.609 -1.522 -4.926) 13.623 7.036 ( -12.793 1.776 14.340) 19.299 7.141 ( -0.912 -3.266 -3.543) 4.905 7.640 ( -2.223 -0.672 -8.935) 9.231 7.739 ( 0.414 -1.576 0.564) 1.724 7.814 ( -3.282 1.655 -0.172) 3.680 7.918 ( -9.241 -0.243 1.492) 9.363 8.488 ( 4.430 -1.042 4.269) 6.239 9.031 ( 15.978 3.029 -7.196) 17.783 9.252 ( -2.526 -2.302 -2.792) 4.413 9.616 ( 21.073 2.025 0.121) 21.170 9.836 ( -4.445 3.255 7.936) 9.661 9.845 ( -9.413 1.482 2.579) 9.871 10.086 ( -8.804 0.494 -3.244) 9.395 10.204 ( -9.280 -5.176 4.045) 11.370 10.475 ( 6.876 -5.210 -6.318) 10.693 10.630 ( -4.886 0.341 -6.515) 8.151 10.998 ( -11.962 5.519 6.350) 14.625 11.158 ( -12.483 -5.355 -0.150) 13.584 11.689 ( -8.009 0.365 1.857) 8.230 13.998 ( 0.039 -0.498 2.012) 2.073 14.275 ( -1.956 0.736 -2.822) 3.511 19.427 ( 4.252 0.520 3.887) 5.784 19.636 ( -1.185 0.712 -8.339) 8.453 20.074 ( 10.262 2.234 7.549) 12.934 20.300 ( 5.143 4.413 -3.030) 7.424 20.656 ( 7.378 11.674 -1.059) 13.851 20.823 ( 1.288 -3.993 2.462) 4.864 21.239 ( 11.701 -6.267 -5.398) 14.329 21.282 ( 11.291 -7.167 4.312) 14.051 23.814 ( -20.341 -1.316 -0.373) 20.387 23.965 ( -21.887 -0.077 0.408) 21.891 26.414 ( 5.421 -0.124 -1.128) 5.539 26.523 ( 3.309 -0.358 0.670) 3.395 ======================= Grid point 206 (92/95) ======================= q-point: (-0.44 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 6.743 11.983 6.535) 15.224 1.615 ( -2.344 6.408 -5.101) 8.519 1.664 ( -1.219 4.894 -6.075) 7.896 1.713 ( -6.458 7.852 6.907) 12.290 1.917 ( 0.587 -0.686 4.776) 4.860 1.979 ( 2.863 -0.011 -6.664) 7.253 2.067 ( -4.416 -3.175 -2.937) 6.181 2.146 ( -0.225 -6.621 -1.160) 6.725 2.212 ( 7.407 7.600 2.928) 11.009 2.321 ( 2.992 2.701 1.712) 4.380 2.452 ( -4.036 2.735 -3.155) 5.808 2.491 ( -1.280 3.662 1.077) 4.026 2.643 ( 2.012 -6.213 0.979) 6.604 2.672 ( -1.019 -6.113 -3.131) 6.944 2.754 ( 3.918 1.069 -2.512) 4.775 2.830 ( -0.610 1.947 -0.553) 2.114 2.888 ( 0.818 2.618 5.886) 6.493 2.969 ( 6.919 -2.950 1.654) 7.701 3.083 ( -4.841 1.463 1.498) 5.274 3.214 ( -4.772 4.493 -6.294) 9.086 3.321 ( 0.628 11.581 1.262) 11.667 3.418 ( -4.021 7.636 3.718) 9.397 3.591 ( 0.412 4.498 -0.254) 4.524 3.670 ( 1.083 -1.695 -1.150) 2.317 3.848 ( -4.790 -1.382 -3.956) 6.364 3.941 ( -5.711 -2.239 4.797) 7.788 4.043 ( 0.338 -4.744 -1.562) 5.006 4.122 ( 1.997 -7.471 -0.950) 7.792 4.541 ( -4.996 -0.024 -1.531) 5.226 4.599 ( -6.325 -0.900 1.442) 6.550 4.665 ( 4.192 -0.530 -1.833) 4.606 4.916 ( -5.136 -3.926 1.556) 6.649 5.113 ( 3.164 2.181 1.274) 4.049 5.260 ( -1.094 -3.813 2.051) 4.465 5.558 ( -10.177 -0.928 -4.162) 11.034 5.761 ( -9.430 1.345 0.978) 9.575 5.828 ( -9.979 -3.968 6.955) 12.795 5.891 ( -7.130 -7.707 -1.038) 10.550 6.510 ( -1.337 -1.245 -14.517) 14.631 6.792 ( -13.082 1.555 18.700) 22.875 7.250 ( 7.414 -5.303 -9.481) 13.152 7.589 ( -3.113 -1.522 -2.504) 4.275 7.599 ( -10.873 0.689 4.418) 11.757 7.745 ( -8.865 -2.689 0.004) 9.264 7.958 ( 13.349 -0.177 6.783) 14.975 8.475 ( -7.566 0.229 -9.995) 12.537 9.148 ( 4.462 2.201 -1.736) 5.270 9.252 ( -2.135 -2.180 -2.647) 4.040 9.709 ( -0.251 2.545 7.226) 7.665 9.783 ( 2.057 5.672 -4.441) 7.492 9.821 ( -1.878 -0.559 4.975) 5.347 10.015 ( -5.788 -2.638 -0.279) 6.367 10.152 ( 6.943 -1.461 0.553) 7.117 10.459 ( -8.143 -6.818 8.159) 13.393 10.770 ( -1.556 3.532 -4.511) 5.937 10.789 ( 9.232 -0.421 -5.380) 10.693 11.017 ( -6.878 -5.169 -3.997) 9.487 11.485 ( -14.289 0.997 5.411) 15.312 14.038 ( 3.469 -0.366 4.745) 5.890 14.209 ( -4.001 0.932 -5.183) 6.613 19.493 ( 3.662 1.433 4.663) 6.100 19.594 ( -1.766 1.600 -6.924) 7.322 20.195 ( 6.790 6.693 7.492) 12.126 20.301 ( 1.595 8.335 -5.169) 9.936 20.707 ( 7.903 6.609 -2.686) 10.647 20.834 ( -0.233 1.433 2.936) 3.275 21.528 ( 8.898 -11.337 3.686) 14.876 21.564 ( 7.869 -13.313 -3.502) 15.856 23.510 ( -13.164 -1.113 0.238) 13.213 23.599 ( -16.981 0.462 -0.472) 16.994 26.503 ( 4.344 -0.108 -2.208) 4.874 26.571 ( 1.002 -0.863 1.818) 2.248 ======================= Grid point 207 (93/95) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -4.349 13.411 -12.198) 18.644 1.387 ( 4.349 13.411 12.198) 18.644 1.561 ( 0.079 9.853 -12.115) 15.616 1.561 ( -0.079 9.853 12.115) 15.616 1.964 ( -1.804 0.230 -7.768) 7.978 1.964 ( 1.804 0.230 7.768) 7.978 2.195 ( -4.128 -5.565 -6.141) 9.258 2.195 ( 4.128 -5.565 6.141) 9.258 2.261 ( -5.349 5.483 1.282) 7.766 2.261 ( 5.349 5.483 -1.282) 7.766 2.401 ( -2.862 3.587 -0.363) 4.603 2.401 ( 2.862 3.587 0.363) 4.603 2.697 ( 1.676 1.694 -7.193) 7.578 2.697 ( -1.676 1.694 7.193) 7.578 2.763 ( -0.737 1.763 -7.047) 7.301 2.763 ( 0.737 1.763 7.047) 7.301 2.929 ( -3.251 3.510 -0.833) 4.856 2.929 ( 3.251 3.510 0.833) 4.856 3.130 ( -1.129 -3.116 -6.046) 6.895 3.130 ( 1.129 -3.116 6.046) 6.895 3.271 ( -2.938 6.810 -5.525) 9.249 3.271 ( 2.938 6.810 5.525) 9.249 3.646 ( -5.993 -2.243 -3.865) 7.475 3.646 ( 5.993 -2.243 3.865) 7.475 3.861 ( 2.501 -0.586 -3.539) 4.373 3.861 ( -2.501 -0.586 3.539) 4.373 4.139 ( -0.286 -3.556 -1.684) 3.945 4.139 ( 0.286 -3.556 1.684) 3.945 4.523 ( 0.867 -2.624 -9.408) 9.805 4.523 ( -0.867 -2.624 9.408) 9.805 4.809 ( 7.687 -3.621 -6.694) 10.817 4.809 ( -7.687 -3.621 6.694) 10.817 5.235 ( 0.710 -1.354 -6.648) 6.822 5.235 ( -0.710 -1.354 6.648) 6.822 5.490 ( -6.958 0.864 1.527) 7.176 5.490 ( 6.958 0.864 -1.527) 7.176 5.903 ( 0.426 -8.015 -8.617) 11.776 5.903 ( -0.426 -8.015 8.617) 11.776 6.584 ( 8.414 0.112 -18.421) 20.252 6.584 ( -8.414 0.112 18.421) 20.252 7.430 ( 6.712 -2.152 -8.479) 11.026 7.430 ( -6.712 -2.152 8.479) 11.026 7.637 ( -0.763 -3.974 -1.046) 4.179 7.637 ( 0.763 -3.974 1.046) 4.179 8.233 ( -15.171 1.148 -12.440) 19.653 8.233 ( 15.171 1.148 12.440) 19.653 9.214 ( 0.496 -0.558 -12.234) 12.256 9.214 ( -0.496 -0.558 12.234) 12.256 9.699 ( -1.253 3.472 -5.084) 6.283 9.699 ( 1.253 3.472 5.084) 6.283 9.905 ( -4.476 -1.904 -3.588) 6.044 9.905 ( 4.476 -1.904 3.588) 6.044 10.335 ( 3.864 -0.380 -10.854) 11.528 10.335 ( -3.864 -0.380 10.854) 11.528 10.800 ( -3.802 -1.967 -11.144) 11.938 10.800 ( 3.802 -1.967 11.144) 11.938 11.191 ( 7.084 -1.664 -5.171) 8.927 11.191 ( -7.084 -1.664 5.171) 8.927 14.118 ( -4.202 0.419 -5.809) 7.182 14.118 ( 4.202 0.419 5.809) 7.182 19.534 ( -2.588 2.362 -4.723) 5.881 19.534 ( 2.588 2.362 4.723) 5.881 20.201 ( -2.334 9.562 -7.608) 12.440 20.201 ( 2.334 9.562 7.608) 12.440 20.785 ( 3.477 2.565 -3.115) 5.326 20.785 ( -3.477 2.565 3.115) 5.326 21.756 ( -1.641 -14.941 -11.690) 19.041 21.756 ( 1.641 -14.941 11.690) 19.041 23.405 ( -0.530 0.635 -5.320) 5.384 23.405 ( 0.530 0.635 5.320) 5.384 26.568 ( 2.124 -0.721 -2.731) 3.535 26.568 ( -2.124 -0.721 2.731) 3.535 ======================= Grid point 215 (94/95) ======================= q-point: (-0.56 0.44 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 9.546 0.000 3.689) 10.235 1.651 ( 4.940 0.000 4.552) 6.717 1.682 ( 4.031 0.000 -4.809) 6.275 1.780 ( -7.272 -0.000 3.026) 7.876 1.929 ( -9.026 -0.000 1.034) 9.085 1.962 ( 2.071 0.000 -9.995) 10.207 2.054 ( -3.521 -0.000 -13.450) 13.903 2.058 ( -5.076 -0.000 11.834) 12.877 2.320 ( 4.129 0.000 -1.890) 4.540 2.343 ( 6.581 0.000 3.866) 7.632 2.474 ( -3.279 -0.000 -5.379) 6.300 2.518 ( 1.525 0.000 8.302) 8.441 2.580 ( 1.664 0.000 -5.223) 5.482 2.588 ( -1.553 -0.000 0.089) 1.556 2.765 ( 3.373 0.000 4.470) 5.600 2.850 ( 1.747 0.000 -10.265) 10.413 2.895 ( 0.828 0.000 8.378) 8.419 2.944 ( 9.317 0.000 4.038) 10.155 3.096 ( -6.233 -0.000 0.934) 6.303 3.255 ( -6.255 -0.000 -4.278) 7.579 3.481 ( 1.798 0.000 -0.321) 1.826 3.492 ( -0.705 -0.000 1.893) 2.020 3.656 ( -3.933 -0.000 4.975) 6.342 3.666 ( -4.824 -0.000 -7.228) 8.689 3.841 ( -2.489 -0.000 -2.993) 3.893 3.904 ( -6.817 -0.000 6.490) 9.413 3.991 ( 1.436 0.000 -2.131) 2.569 4.018 ( 5.442 0.000 -1.330) 5.602 4.553 ( -6.459 -0.000 10.122) 12.007 4.581 ( -8.286 -0.000 -12.098) 14.664 4.662 ( 3.736 0.000 -2.725) 4.624 4.875 ( -3.421 -0.000 3.922) 5.205 5.159 ( -3.374 -0.000 -0.844) 3.478 5.198 ( 5.916 0.000 5.514) 8.087 5.547 ( -9.975 -0.000 -5.108) 11.207 5.761 ( 0.966 0.000 9.123) 9.174 5.785 ( -6.249 -0.000 -4.580) 7.747 5.832 ( -22.335 -0.000 2.786) 22.508 6.500 ( -0.180 -0.000 -16.044) 16.045 6.811 ( -13.701 -0.000 19.978) 24.225 7.193 ( 7.784 0.000 -9.521) 12.297 7.564 ( -6.388 -0.000 -0.576) 6.414 7.611 ( -8.034 -0.000 3.825) 8.899 7.721 ( -10.204 -0.000 -1.645) 10.336 7.955 ( 13.844 0.000 7.300) 15.651 8.477 ( -6.637 -0.000 -9.680) 11.737 9.193 ( -0.453 -0.000 -9.727) 9.738 9.206 ( 1.921 0.000 2.790) 3.387 9.757 ( 0.152 0.000 9.210) 9.211 9.777 ( -2.339 -0.000 5.131) 5.639 9.920 ( 2.965 0.000 -0.779) 3.065 9.925 ( -7.441 -0.000 -4.942) 8.932 10.134 ( 7.596 0.000 1.213) 7.692 10.384 ( -7.501 -0.000 6.687) 10.049 10.790 ( 14.557 0.000 -13.564) 19.897 10.817 ( -9.414 -0.000 6.701) 11.555 10.954 ( -4.891 -0.000 -5.991) 7.734 11.499 ( -14.210 -0.000 5.498) 15.237 14.034 ( 3.817 0.000 5.858) 6.992 14.218 ( -4.266 -0.000 -6.143) 7.479 19.507 ( 3.799 0.000 5.538) 6.716 19.610 ( -1.676 -0.000 -7.931) 8.106 20.264 ( 8.228 0.000 6.995) 10.800 20.388 ( 1.864 0.000 -4.388) 4.767 20.813 ( 2.120 0.000 -3.457) 4.055 20.824 ( 2.530 0.000 4.024) 4.753 21.397 ( 9.319 0.000 -13.172) 16.135 21.427 ( 7.109 0.000 12.692) 14.548 23.500 ( -12.198 -0.000 0.134) 12.199 23.604 ( -16.643 -0.000 -0.208) 16.645 26.502 ( 4.249 0.000 -2.269) 4.816 26.563 ( 1.051 0.000 1.989) 2.249 ======================= Grid point 217 (95/95) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -4.354 8.344 -7.654) 12.131 1.612 ( 4.354 8.344 7.654) 12.131 1.692 ( 0.664 4.925 -2.064) 5.381 1.692 ( -0.664 4.925 2.064) 5.381 1.945 ( -4.519 -4.698 -7.549) 9.974 1.945 ( 4.519 -4.698 7.549) 9.974 2.060 ( -1.082 -2.974 -12.219) 12.622 2.060 ( 1.082 -2.974 12.219) 12.622 2.372 ( 1.947 3.567 -2.461) 4.751 2.372 ( -1.947 3.567 2.461) 4.751 2.448 ( 2.776 0.927 -1.978) 3.533 2.448 ( -2.776 0.927 1.978) 3.533 2.613 ( -0.228 -3.694 -3.233) 4.914 2.613 ( 0.228 -3.694 3.233) 4.914 2.832 ( -1.371 2.017 -13.018) 13.244 2.832 ( 1.371 2.017 13.018) 13.244 2.965 ( -5.566 -0.191 -0.437) 5.587 2.965 ( 5.566 -0.191 0.437) 5.587 3.114 ( -7.616 0.387 -6.254) 9.863 3.114 ( 7.616 0.387 6.254) 9.863 3.447 ( 1.558 8.290 -5.625) 10.139 3.447 ( -1.558 8.290 5.625) 10.139 3.621 ( 0.224 -0.389 -3.850) 3.876 3.621 ( -0.224 -0.389 3.850) 3.876 3.839 ( 1.695 -1.621 -4.583) 5.148 3.839 ( -1.695 -1.621 4.583) 5.148 4.066 ( 1.148 -3.036 -1.951) 3.787 4.066 ( -1.148 -3.036 1.951) 3.787 4.483 ( -0.150 -1.151 -12.126) 12.181 4.483 ( 0.150 -1.151 12.126) 12.181 4.769 ( 7.645 -0.927 -6.394) 10.009 4.769 ( -7.645 -0.927 6.394) 10.009 5.217 ( 5.001 -0.527 -5.629) 7.548 5.217 ( -5.001 -0.527 5.629) 7.548 5.503 ( -10.927 0.356 1.805) 11.081 5.503 ( 10.927 0.356 -1.805) 11.081 5.785 ( 0.791 -3.469 -7.483) 8.285 5.785 ( -0.791 -3.469 7.483) 8.285 6.592 ( 10.195 0.416 -20.235) 22.662 6.592 ( -10.195 0.416 20.235) 22.662 7.380 ( 10.997 -2.086 -9.248) 14.520 7.380 ( -10.997 -2.086 9.248) 14.520 7.594 ( -3.858 -0.849 -1.360) 4.178 7.594 ( 3.858 -0.849 1.360) 4.178 8.246 ( -16.035 0.277 -13.786) 21.148 8.246 ( 16.035 0.277 13.786) 21.148 9.204 ( 1.315 -0.358 -12.686) 12.759 9.204 ( -1.315 -0.358 12.686) 12.759 9.761 ( -2.168 2.383 -3.472) 4.737 9.761 ( 2.168 2.383 3.472) 4.737 9.876 ( -4.602 -1.000 -1.253) 4.874 9.876 ( 4.602 -1.000 1.253) 4.874 10.297 ( 5.228 -2.223 -7.494) 9.404 10.297 ( -5.228 -2.223 7.494) 9.404 10.773 ( -4.042 -0.612 -12.470) 13.123 10.773 ( 4.042 -0.612 12.470) 13.123 11.187 ( 7.217 0.389 -3.221) 7.913 11.187 ( -7.217 0.389 3.221) 7.913 14.124 ( -5.220 0.185 -7.212) 8.905 14.124 ( 5.220 0.185 7.212) 8.905 19.564 ( -2.613 0.825 -6.584) 7.131 19.564 ( 2.613 0.825 6.584) 7.131 20.350 ( -3.186 4.851 -6.178) 8.477 20.350 ( 3.186 4.851 6.178) 8.477 20.831 ( 1.338 1.921 -3.375) 4.107 20.831 ( -1.338 1.921 3.375) 4.107 21.528 ( 0.854 -7.577 -13.824) 15.788 21.528 ( -0.854 -7.577 13.824) 15.788 23.413 ( -1.930 0.225 -1.922) 2.733 23.413 ( 1.930 0.225 1.922) 2.733 26.558 ( 1.862 -0.270 -2.620) 3.226 26.558 ( -1.862 -0.270 2.620) 3.226 =================== 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 3/23328 10.0 411.664 422.006 360.315 0.000 13.100 -0.000 3/23328 20.0 66.692 65.776 56.524 0.000 1.837 -0.000 3/23328 30.0 27.639 27.974 24.417 0.000 0.967 -0.000 3/23328 40.0 16.171 16.419 14.615 0.000 0.599 -0.000 3/23328 50.0 11.200 11.307 10.209 0.000 0.412 -0.000 3/23328 60.0 8.551 8.534 7.790 0.000 0.303 -0.000 3/23328 70.0 6.942 6.823 6.290 0.000 0.233 -0.000 3/23328 80.0 5.874 5.675 5.279 0.000 0.185 -0.000 3/23328 90.0 5.115 4.856 4.556 0.000 0.150 -0.000 3/23328 100.0 4.547 4.244 4.015 0.000 0.124 -0.000 3/23328 110.0 4.106 3.772 3.596 0.000 0.103 -0.000 3/23328 120.0 3.752 3.396 3.261 0.000 0.087 -0.000 3/23328 130.0 3.462 3.091 2.988 0.000 0.074 -0.000 3/23328 140.0 3.219 2.838 2.760 0.000 0.064 -0.000 3/23328 150.0 3.012 2.626 2.567 0.000 0.055 -0.000 3/23328 160.0 2.833 2.445 2.401 0.000 0.048 -0.000 3/23328 170.0 2.678 2.288 2.257 0.000 0.043 -0.000 3/23328 180.0 2.541 2.152 2.131 0.000 0.038 -0.000 3/23328 190.0 2.420 2.032 2.019 0.000 0.034 -0.000 3/23328 200.0 2.311 1.926 1.919 0.000 0.030 -0.000 3/23328 210.0 2.213 1.831 1.829 0.000 0.027 -0.000 3/23328 220.0 2.125 1.746 1.748 0.000 0.025 -0.000 3/23328 230.0 2.044 1.669 1.674 0.000 0.022 -0.000 3/23328 240.0 1.970 1.598 1.606 0.000 0.020 -0.000 3/23328 250.0 1.901 1.534 1.544 0.000 0.019 -0.000 3/23328 260.0 1.838 1.475 1.487 0.000 0.017 -0.000 3/23328 270.0 1.780 1.421 1.434 0.000 0.016 -0.000 3/23328 280.0 1.725 1.371 1.385 0.000 0.015 -0.000 3/23328 290.0 1.674 1.324 1.339 0.000 0.014 -0.000 3/23328 300.0 1.626 1.280 1.296 0.000 0.013 -0.000 3/23328 310.0 1.581 1.240 1.256 0.000 0.012 -0.000 3/23328 320.0 1.539 1.202 1.218 0.000 0.011 -0.000 3/23328 330.0 1.499 1.166 1.183 0.000 0.011 -0.000 3/23328 340.0 1.461 1.133 1.149 0.000 0.010 -0.000 3/23328 350.0 1.425 1.101 1.118 0.000 0.009 -0.000 3/23328 360.0 1.390 1.071 1.088 0.000 0.009 -0.000 3/23328 370.0 1.358 1.043 1.060 0.000 0.008 -0.000 3/23328 380.0 1.327 1.016 1.033 0.000 0.008 -0.000 3/23328 390.0 1.297 0.991 1.008 0.000 0.008 -0.000 3/23328 400.0 1.269 0.967 0.983 0.000 0.007 -0.000 3/23328 410.0 1.241 0.944 0.960 0.000 0.007 -0.000 3/23328 420.0 1.215 0.922 0.938 0.000 0.007 -0.000 3/23328 430.0 1.191 0.901 0.917 0.000 0.006 -0.000 3/23328 440.0 1.167 0.881 0.897 0.000 0.006 -0.000 3/23328 450.0 1.144 0.862 0.878 0.000 0.006 -0.000 3/23328 460.0 1.122 0.844 0.859 0.000 0.006 -0.000 3/23328 470.0 1.100 0.826 0.842 0.000 0.005 -0.000 3/23328 480.0 1.080 0.809 0.825 0.000 0.005 -0.000 3/23328 490.0 1.060 0.793 0.808 0.000 0.005 -0.000 3/23328 500.0 1.041 0.778 0.793 0.000 0.005 -0.000 3/23328 510.0 1.022 0.763 0.778 0.000 0.005 -0.000 3/23328 520.0 1.005 0.748 0.763 0.000 0.005 -0.000 3/23328 530.0 0.988 0.735 0.749 0.000 0.004 -0.000 3/23328 540.0 0.971 0.721 0.736 0.000 0.004 -0.000 3/23328 550.0 0.955 0.709 0.723 0.000 0.004 -0.000 3/23328 560.0 0.939 0.696 0.710 0.000 0.004 -0.000 3/23328 570.0 0.924 0.684 0.698 0.000 0.004 -0.000 3/23328 580.0 0.910 0.673 0.686 0.000 0.004 -0.000 3/23328 590.0 0.895 0.661 0.675 0.000 0.004 -0.000 3/23328 600.0 0.882 0.651 0.664 0.000 0.004 -0.000 3/23328 610.0 0.868 0.640 0.653 0.000 0.003 -0.000 3/23328 620.0 0.855 0.630 0.643 0.000 0.003 -0.000 3/23328 630.0 0.843 0.620 0.633 0.000 0.003 -0.000 3/23328 640.0 0.831 0.611 0.623 0.000 0.003 -0.000 3/23328 650.0 0.819 0.602 0.614 0.000 0.003 -0.000 3/23328 660.0 0.807 0.593 0.605 0.000 0.003 -0.000 3/23328 670.0 0.796 0.584 0.596 0.000 0.003 -0.000 3/23328 680.0 0.785 0.575 0.587 0.000 0.003 -0.000 3/23328 690.0 0.774 0.567 0.579 0.000 0.003 -0.000 3/23328 700.0 0.764 0.559 0.571 0.000 0.003 -0.000 3/23328 710.0 0.754 0.552 0.563 0.000 0.003 -0.000 3/23328 720.0 0.744 0.544 0.555 0.000 0.003 -0.000 3/23328 730.0 0.734 0.537 0.548 0.000 0.003 -0.000 3/23328 740.0 0.725 0.529 0.541 0.000 0.003 -0.000 3/23328 750.0 0.716 0.523 0.533 0.000 0.003 -0.000 3/23328 760.0 0.707 0.516 0.527 0.000 0.002 -0.000 3/23328 770.0 0.698 0.509 0.520 0.000 0.002 -0.000 3/23328 780.0 0.690 0.503 0.513 0.000 0.002 -0.000 3/23328 790.0 0.682 0.496 0.507 0.000 0.002 -0.000 3/23328 800.0 0.674 0.490 0.501 0.000 0.002 -0.000 3/23328 810.0 0.666 0.484 0.495 0.000 0.002 -0.000 3/23328 820.0 0.658 0.479 0.489 0.000 0.002 -0.000 3/23328 830.0 0.650 0.473 0.483 0.000 0.002 -0.000 3/23328 840.0 0.643 0.467 0.477 0.000 0.002 -0.000 3/23328 850.0 0.636 0.462 0.472 0.000 0.002 -0.000 3/23328 860.0 0.629 0.457 0.466 0.000 0.002 -0.000 3/23328 870.0 0.622 0.451 0.461 0.000 0.002 -0.000 3/23328 880.0 0.615 0.446 0.456 0.000 0.002 -0.000 3/23328 890.0 0.608 0.441 0.451 0.000 0.002 -0.000 3/23328 900.0 0.602 0.436 0.446 0.000 0.002 -0.000 3/23328 910.0 0.596 0.432 0.441 0.000 0.002 -0.000 3/23328 920.0 0.589 0.427 0.436 0.000 0.002 -0.000 3/23328 930.0 0.583 0.423 0.432 0.000 0.002 -0.000 3/23328 940.0 0.577 0.418 0.427 0.000 0.002 -0.000 3/23328 950.0 0.571 0.414 0.423 0.000 0.002 -0.000 3/23328 960.0 0.566 0.409 0.418 0.000 0.002 -0.000 3/23328 970.0 0.560 0.405 0.414 0.000 0.002 -0.000 3/23328 980.0 0.555 0.401 0.410 0.000 0.002 -0.000 3/23328 990.0 0.549 0.397 0.406 0.000 0.002 -0.000 3/23328 1000.0 0.544 0.393 0.402 0.000 0.002 -0.000 3/23328 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:54:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|