----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:53:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.098180359999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.477033900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.888522500000000 Atomic positions (fractional): *1 Sr 0.69706182808786 0.00408694518693 0.75000000000000 87.620 2 Sr 0.69706182808786 0.49591305481307 0.25000000000000 87.620 3 Sr 0.30293817191214 0.50408694518693 0.75000000000000 87.620 4 Sr 0.30293817191214 0.99591305481307 0.25000000000000 87.620 *5 Nb 0.84543435232629 0.25000000000000 0.00000000000000 92.906 6 Nb 0.84543435232629 0.25000000000000 0.50000000000000 92.906 *7 Nb 0.65704406559840 0.74726937812378 0.75000000000000 92.906 8 Nb 0.65704406559840 0.75273062187622 0.25000000000000 92.906 9 Nb 0.34295593440160 0.24726937812378 0.75000000000000 92.906 10 Nb 0.34295593440160 0.25273062187622 0.25000000000000 92.906 11 Nb 0.15456564767371 0.75000000000000 0.00000000000000 92.906 12 Nb 0.15456564767371 0.75000000000000 0.50000000000000 92.906 *13 O 0.98745306650942 0.64514006691605 0.75000000000000 15.999 14 O 0.98745306650942 0.85485993308395 0.25000000000000 15.999 *15 O 0.98828476850946 0.85188065600155 0.75000000000000 15.999 16 O 0.98828476850946 0.64811934399845 0.25000000000000 15.999 *17 O 0.50921141794642 0.14354815873289 0.49518395905993 15.999 18 O 0.50921141794642 0.14354815873289 0.00481604094007 15.999 19 O 0.50921141794642 0.35645184126711 0.99518395905993 15.999 20 O 0.50921141794642 0.35645184126711 0.50481604094007 15.999 21 O 0.49078858205358 0.64354815873289 0.49518395905993 15.999 22 O 0.49078858205358 0.85645184126711 0.99518395905993 15.999 23 O 0.49078858205358 0.85645184126711 0.50481604094007 15.999 24 O 0.49078858205358 0.64354815873289 0.00481604094007 15.999 25 O 0.01171523149054 0.14811934399845 0.25000000000000 15.999 26 O 0.01171523149054 0.35188065600155 0.75000000000000 15.999 27 O 0.01254693349058 0.14514006691605 0.75000000000000 15.999 28 O 0.01254693349058 0.35485993308395 0.25000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.098180359999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.477033900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.888522500000000 Atomic positions (fractional): *1 Sr 0.69706182808786 0.00408694518693 0.75000000000000 87.620 > 1 2 Sr 0.69706182808786 0.49591305481307 0.25000000000000 87.620 > 2 3 Sr 0.30293817191214 0.50408694518693 0.75000000000000 87.620 > 3 4 Sr 0.30293817191214 0.99591305481307 0.25000000000000 87.620 > 4 *5 Nb 0.84543435232629 0.25000000000000 0.00000000000000 92.906 > 5 6 Nb 0.84543435232629 0.25000000000000 0.50000000000000 92.906 > 6 *7 Nb 0.65704406559840 0.74726937812378 0.75000000000000 92.906 > 7 8 Nb 0.65704406559840 0.75273062187622 0.25000000000000 92.906 > 8 9 Nb 0.34295593440160 0.24726937812378 0.75000000000000 92.906 > 9 10 Nb 0.34295593440160 0.25273062187622 0.25000000000000 92.906 > 10 11 Nb 0.15456564767371 0.75000000000000 0.00000000000000 92.906 > 11 12 Nb 0.15456564767371 0.75000000000000 0.50000000000000 92.906 > 12 *13 O 0.98745306650942 0.64514006691605 0.75000000000000 15.999 > 13 14 O 0.98745306650942 0.85485993308395 0.25000000000000 15.999 > 14 *15 O 0.98828476850946 0.85188065600155 0.75000000000000 15.999 > 15 16 O 0.98828476850946 0.64811934399845 0.25000000000000 15.999 > 16 *17 O 0.50921141794642 0.14354815873289 0.49518395905993 15.999 > 17 18 O 0.50921141794642 0.14354815873289 0.00481604094007 15.999 > 18 19 O 0.50921141794642 0.35645184126711 0.99518395905993 15.999 > 19 20 O 0.50921141794642 0.35645184126711 0.50481604094007 15.999 > 20 21 O 0.49078858205358 0.64354815873289 0.49518395905993 15.999 > 21 22 O 0.49078858205358 0.85645184126711 0.99518395905993 15.999 > 22 23 O 0.49078858205358 0.85645184126711 0.50481604094007 15.999 > 23 24 O 0.49078858205358 0.64354815873289 0.00481604094007 15.999 > 24 25 O 0.01171523149054 0.14811934399845 0.25000000000000 15.999 > 25 26 O 0.01171523149054 0.35188065600155 0.75000000000000 15.999 > 26 27 O 0.01254693349058 0.14514006691605 0.75000000000000 15.999 > 27 28 O 0.01254693349058 0.35485993308395 0.25000000000000 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.196360719999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.477033900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.777044999999999 Atomic positions (fractional): *1 Sr 0.34853091404393 0.00408694518693 0.37500000000000 87.620 > 1 2 Sr 0.84853091404393 0.00408694518693 0.37500000000000 87.620 > 1 3 Sr 0.34853091404393 0.00408694518693 0.87500000000000 87.620 > 1 4 Sr 0.84853091404393 0.00408694518693 0.87500000000000 87.620 > 1 5 Sr 0.34853091404393 0.49591305481307 0.12500000000000 87.620 > 2 6 Sr 0.84853091404393 0.49591305481307 0.12500000000000 87.620 > 2 7 Sr 0.34853091404393 0.49591305481307 0.62500000000000 87.620 > 2 8 Sr 0.84853091404393 0.49591305481307 0.62500000000000 87.620 > 2 9 Sr 0.15146908595607 0.50408694518693 0.37500000000000 87.620 > 3 10 Sr 0.65146908595607 0.50408694518693 0.37500000000000 87.620 > 3 11 Sr 0.15146908595607 0.50408694518693 0.87500000000000 87.620 > 3 12 Sr 0.65146908595607 0.50408694518693 0.87500000000000 87.620 > 3 13 Sr 0.15146908595607 0.99591305481307 0.12500000000000 87.620 > 4 14 Sr 0.65146908595607 0.99591305481307 0.12500000000000 87.620 > 4 15 Sr 0.15146908595607 0.99591305481307 0.62500000000000 87.620 > 4 16 Sr 0.65146908595607 0.99591305481307 0.62500000000000 87.620 > 4 *17 Nb 0.42271717616315 0.25000000000000 0.00000000000000 92.906 > 5 18 Nb 0.92271717616315 0.25000000000000 0.00000000000000 92.906 > 5 19 Nb 0.42271717616315 0.25000000000000 0.50000000000000 92.906 > 5 20 Nb 0.92271717616315 0.25000000000000 0.50000000000000 92.906 > 5 21 Nb 0.42271717616315 0.25000000000000 0.25000000000000 92.906 > 6 22 Nb 0.92271717616315 0.25000000000000 0.25000000000000 92.906 > 6 23 Nb 0.42271717616315 0.25000000000000 0.75000000000000 92.906 > 6 24 Nb 0.92271717616315 0.25000000000000 0.75000000000000 92.906 > 6 *25 Nb 0.32852203279920 0.74726937812378 0.37500000000000 92.906 > 7 26 Nb 0.82852203279920 0.74726937812378 0.37500000000000 92.906 > 7 27 Nb 0.32852203279920 0.74726937812378 0.87500000000000 92.906 > 7 28 Nb 0.82852203279920 0.74726937812378 0.87500000000000 92.906 > 7 29 Nb 0.32852203279920 0.75273062187622 0.12500000000000 92.906 > 8 30 Nb 0.82852203279920 0.75273062187622 0.12500000000000 92.906 > 8 31 Nb 0.32852203279920 0.75273062187622 0.62500000000000 92.906 > 8 32 Nb 0.82852203279920 0.75273062187622 0.62500000000000 92.906 > 8 33 Nb 0.17147796720080 0.24726937812378 0.37500000000000 92.906 > 9 34 Nb 0.67147796720080 0.24726937812378 0.37500000000000 92.906 > 9 35 Nb 0.17147796720080 0.24726937812378 0.87500000000000 92.906 > 9 36 Nb 0.67147796720080 0.24726937812378 0.87500000000000 92.906 > 9 37 Nb 0.17147796720080 0.25273062187622 0.12500000000000 92.906 > 10 38 Nb 0.67147796720080 0.25273062187622 0.12500000000000 92.906 > 10 39 Nb 0.17147796720080 0.25273062187622 0.62500000000000 92.906 > 10 40 Nb 0.67147796720080 0.25273062187622 0.62500000000000 92.906 > 10 41 Nb 0.07728282383685 0.75000000000000 0.00000000000000 92.906 > 11 42 Nb 0.57728282383685 0.75000000000000 0.00000000000000 92.906 > 11 43 Nb 0.07728282383685 0.75000000000000 0.50000000000000 92.906 > 11 44 Nb 0.57728282383685 0.75000000000000 0.50000000000000 92.906 > 11 45 Nb 0.07728282383685 0.75000000000000 0.25000000000000 92.906 > 12 46 Nb 0.57728282383685 0.75000000000000 0.25000000000000 92.906 > 12 47 Nb 0.07728282383685 0.75000000000000 0.75000000000000 92.906 > 12 48 Nb 0.57728282383685 0.75000000000000 0.75000000000000 92.906 > 12 *49 O 0.49372653325471 0.64514006691605 0.37500000000000 15.999 > 13 50 O 0.99372653325471 0.64514006691605 0.37500000000000 15.999 > 13 51 O 0.49372653325471 0.64514006691605 0.87500000000000 15.999 > 13 52 O 0.99372653325471 0.64514006691605 0.87500000000000 15.999 > 13 53 O 0.49372653325471 0.85485993308395 0.12500000000000 15.999 > 14 54 O 0.99372653325471 0.85485993308395 0.12500000000000 15.999 > 14 55 O 0.49372653325471 0.85485993308395 0.62500000000000 15.999 > 14 56 O 0.99372653325471 0.85485993308395 0.62500000000000 15.999 > 14 *57 O 0.49414238425473 0.85188065600155 0.37500000000000 15.999 > 15 58 O 0.99414238425473 0.85188065600155 0.37500000000000 15.999 > 15 59 O 0.49414238425473 0.85188065600155 0.87500000000000 15.999 > 15 60 O 0.99414238425473 0.85188065600155 0.87500000000000 15.999 > 15 61 O 0.49414238425473 0.64811934399845 0.12500000000000 15.999 > 16 62 O 0.99414238425473 0.64811934399845 0.12500000000000 15.999 > 16 63 O 0.49414238425473 0.64811934399845 0.62500000000000 15.999 > 16 64 O 0.99414238425473 0.64811934399845 0.62500000000000 15.999 > 16 *65 O 0.25460570897321 0.14354815873289 0.24759197952997 15.999 > 17 66 O 0.75460570897321 0.14354815873289 0.24759197952997 15.999 > 17 67 O 0.25460570897321 0.14354815873289 0.74759197952997 15.999 > 17 68 O 0.75460570897321 0.14354815873289 0.74759197952997 15.999 > 17 69 O 0.25460570897321 0.14354815873289 0.00240802047003 15.999 > 18 70 O 0.75460570897321 0.14354815873289 0.00240802047003 15.999 > 18 71 O 0.25460570897321 0.14354815873289 0.50240802047003 15.999 > 18 72 O 0.75460570897321 0.14354815873289 0.50240802047003 15.999 > 18 73 O 0.25460570897321 0.35645184126711 0.49759197952997 15.999 > 19 74 O 0.75460570897321 0.35645184126711 0.49759197952997 15.999 > 19 75 O 0.25460570897321 0.35645184126711 0.99759197952997 15.999 > 19 76 O 0.75460570897321 0.35645184126711 0.99759197952997 15.999 > 19 77 O 0.25460570897321 0.35645184126711 0.25240802047003 15.999 > 20 78 O 0.75460570897321 0.35645184126711 0.25240802047003 15.999 > 20 79 O 0.25460570897321 0.35645184126711 0.75240802047003 15.999 > 20 80 O 0.75460570897321 0.35645184126711 0.75240802047003 15.999 > 20 81 O 0.24539429102679 0.64354815873289 0.24759197952997 15.999 > 21 82 O 0.74539429102679 0.64354815873289 0.24759197952997 15.999 > 21 83 O 0.24539429102679 0.64354815873289 0.74759197952997 15.999 > 21 84 O 0.74539429102679 0.64354815873289 0.74759197952997 15.999 > 21 85 O 0.24539429102679 0.85645184126711 0.49759197952997 15.999 > 22 86 O 0.74539429102679 0.85645184126711 0.49759197952997 15.999 > 22 87 O 0.24539429102679 0.85645184126711 0.99759197952997 15.999 > 22 88 O 0.74539429102679 0.85645184126711 0.99759197952997 15.999 > 22 89 O 0.24539429102679 0.85645184126711 0.25240802047003 15.999 > 23 90 O 0.74539429102679 0.85645184126711 0.25240802047003 15.999 > 23 91 O 0.24539429102679 0.85645184126711 0.75240802047003 15.999 > 23 92 O 0.74539429102679 0.85645184126711 0.75240802047003 15.999 > 23 93 O 0.24539429102679 0.64354815873289 0.00240802047003 15.999 > 24 94 O 0.74539429102679 0.64354815873289 0.00240802047003 15.999 > 24 95 O 0.24539429102679 0.64354815873289 0.50240802047003 15.999 > 24 96 O 0.74539429102679 0.64354815873289 0.50240802047003 15.999 > 24 97 O 0.00585761574527 0.14811934399845 0.12500000000000 15.999 > 25 98 O 0.50585761574527 0.14811934399845 0.12500000000000 15.999 > 25 99 O 0.00585761574527 0.14811934399845 0.62500000000000 15.999 > 25 100 O 0.50585761574527 0.14811934399845 0.62500000000000 15.999 > 25 101 O 0.00585761574527 0.35188065600155 0.37500000000000 15.999 > 26 102 O 0.50585761574527 0.35188065600155 0.37500000000000 15.999 > 26 103 O 0.00585761574527 0.35188065600155 0.87500000000000 15.999 > 26 104 O 0.50585761574527 0.35188065600155 0.87500000000000 15.999 > 26 105 O 0.00627346674529 0.14514006691605 0.37500000000000 15.999 > 27 106 O 0.50627346674529 0.14514006691605 0.37500000000000 15.999 > 27 107 O 0.00627346674529 0.14514006691605 0.87500000000000 15.999 > 27 108 O 0.50627346674529 0.14514006691605 0.87500000000000 15.999 > 27 109 O 0.00627346674529 0.35485993308395 0.12500000000000 15.999 > 28 110 O 0.50627346674529 0.35485993308395 0.12500000000000 15.999 > 28 111 O 0.00627346674529 0.35485993308395 0.62500000000000 15.999 > 28 112 O 0.50627346674529 0.35485993308395 0.62500000000000 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3062089 0.0000000 0.0000000 0.0000000 4.5257549 0.0000000 0.0000000 0.0000000 10.1931547 -------------------------- Born effective charges -------------------------- 1 Sr 2.0275353 0.0120423 0.0000000 0.0283978 4.4214377 0.0000000 0.0000000 0.0000000 1.9722840 2 Sr 2.0275353 -0.0120423 0.0000000 -0.0283978 4.4214377 0.0000000 0.0000000 0.0000000 1.9722840 3 Sr 2.0275353 -0.0120423 0.0000000 -0.0283978 4.4214377 0.0000000 0.0000000 0.0000000 1.9722840 4 Sr 2.0275353 0.0120423 0.0000000 0.0283978 4.4214377 0.0000000 0.0000000 0.0000000 1.9722840 5 Nb 2.1559253 0.0000000 0.0000000 0.0000000 1.0758432 -0.1411691 0.0000000 -0.2373461 2.3727014 6 Nb 2.1559253 0.0000000 0.0000000 0.0000000 1.0758432 0.1411691 0.0000000 0.2373461 2.3727014 7 Nb 2.4556460 -0.0980905 0.0000000 -0.0387896 1.0388050 0.0000000 0.0000000 0.0000000 2.2611259 8 Nb 2.4556460 0.0980905 0.0000000 0.0387896 1.0388050 0.0000000 0.0000000 0.0000000 2.2611259 9 Nb 2.4556460 0.0980905 0.0000000 0.0387896 1.0388050 0.0000000 0.0000000 0.0000000 2.2611259 10 Nb 2.4556460 -0.0980905 0.0000000 -0.0387896 1.0388050 0.0000000 0.0000000 0.0000000 2.2611259 11 Nb 2.1559253 0.0000000 0.0000000 0.0000000 1.0758432 -0.1411691 0.0000000 -0.2373461 2.3727014 12 Nb 2.1559253 0.0000000 0.0000000 0.0000000 1.0758432 0.1411691 0.0000000 0.2373461 2.3727014 13 O -1.7756009 0.2313054 0.0000000 0.2497318 -1.5342292 0.0000000 0.0000000 0.0000000 -1.6607455 14 O -1.7756009 -0.2313054 0.0000000 -0.2497318 -1.5342292 0.0000000 0.0000000 0.0000000 -1.6607455 15 O -1.7608716 0.3376724 0.0000000 0.2623663 -1.5153444 0.0000000 0.0000000 0.0000000 -1.5630302 16 O -1.7608716 -0.3376724 0.0000000 -0.2623663 -1.5153444 0.0000000 0.0000000 0.0000000 -1.5630302 17 O -1.5513170 -0.0344177 -0.0657222 -0.0164349 -1.7432562 -0.0435693 -0.0866681 -0.0511457 -1.6911678 18 O -1.5513170 -0.0344177 0.0657222 -0.0164349 -1.7432562 0.0435693 0.0866681 0.0511457 -1.6911678 19 O -1.5513170 0.0344177 -0.0657222 0.0164349 -1.7432562 0.0435693 -0.0866681 0.0511457 -1.6911678 20 O -1.5513170 0.0344177 0.0657222 0.0164349 -1.7432562 -0.0435693 0.0866681 -0.0511457 -1.6911678 21 O -1.5513170 0.0344177 0.0657222 0.0164349 -1.7432562 -0.0435693 0.0866681 -0.0511457 -1.6911678 22 O -1.5513170 -0.0344177 0.0657222 -0.0164349 -1.7432562 0.0435693 0.0866681 0.0511457 -1.6911678 23 O -1.5513170 -0.0344177 -0.0657222 -0.0164349 -1.7432562 -0.0435693 -0.0866681 -0.0511457 -1.6911678 24 O -1.5513170 0.0344177 -0.0657222 0.0164349 -1.7432562 0.0435693 -0.0866681 0.0511457 -1.6911678 25 O -1.7608716 0.3376724 0.0000000 0.2623663 -1.5153444 0.0000000 0.0000000 0.0000000 -1.5630302 26 O -1.7608716 -0.3376724 0.0000000 -0.2623663 -1.5153444 0.0000000 0.0000000 0.0000000 -1.5630302 27 O -1.7756009 -0.2313054 0.0000000 -0.2497318 -1.5342292 0.0000000 0.0000000 0.0000000 -1.6607455 28 O -1.7756009 0.2313054 0.0000000 0.2497318 -1.5342292 0.0000000 0.0000000 0.0000000 -1.6607455 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1924 Number of blocks in projector: 1924 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: 452 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (1924, 1890), data: False |-- (272, 266), data: True |-- (272, 266), data: True |-- (272, 266), data: True |-- (324, 322), data: True |-- (332, 328), data: True |-- (452, 442), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.113 Solver_block: 200 / 480 - Time: 3.126 Solver_block: 300 / 480 - Time: 3.129 Solver_block: 400 / 480 - Time: 3.118 Solver_block: 480 / 480 - Time: 2.532 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.099 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1924 Number of blocks in projector: 1924 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: 452 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (1924, 1890), data: False |-- (272, 266), data: True |-- (272, 266), data: True |-- (272, 266), data: True |-- (324, 322), data: True |-- (332, 328), data: True |-- (452, 442), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:53:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:53:55]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.098180359999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.477033900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.888522500000000 Atomic positions (fractional): 1 Sr 0.69706182808786 0.00408694518693 0.75000000000000 87.620 2 Sr 0.69706182808786 0.49591305481307 0.25000000000000 87.620 3 Sr 0.30293817191214 0.50408694518693 0.75000000000000 87.620 4 Sr 0.30293817191214 0.99591305481307 0.25000000000000 87.620 5 Nb 0.84543435232629 0.25000000000000 0.00000000000000 92.906 6 Nb 0.84543435232629 0.25000000000000 0.50000000000000 92.906 7 Nb 0.65704406559840 0.74726937812378 0.75000000000000 92.906 8 Nb 0.65704406559840 0.75273062187622 0.25000000000000 92.906 9 Nb 0.34295593440160 0.24726937812378 0.75000000000000 92.906 10 Nb 0.34295593440160 0.25273062187622 0.25000000000000 92.906 11 Nb 0.15456564767371 0.75000000000000 0.00000000000000 92.906 12 Nb 0.15456564767371 0.75000000000000 0.50000000000000 92.906 13 O 0.98745306650942 0.64514006691605 0.75000000000000 15.999 14 O 0.98745306650942 0.85485993308395 0.25000000000000 15.999 15 O 0.98828476850946 0.85188065600155 0.75000000000000 15.999 16 O 0.98828476850946 0.64811934399845 0.25000000000000 15.999 17 O 0.50921141794642 0.14354815873289 0.49518395905993 15.999 18 O 0.50921141794642 0.14354815873289 0.00481604094007 15.999 19 O 0.50921141794642 0.35645184126711 0.99518395905993 15.999 20 O 0.50921141794642 0.35645184126711 0.50481604094007 15.999 21 O 0.49078858205358 0.64354815873289 0.49518395905993 15.999 22 O 0.49078858205358 0.85645184126711 0.99518395905993 15.999 23 O 0.49078858205358 0.85645184126711 0.50481604094007 15.999 24 O 0.49078858205358 0.64354815873289 0.00481604094007 15.999 25 O 0.01171523149054 0.14811934399845 0.25000000000000 15.999 26 O 0.01171523149054 0.35188065600155 0.75000000000000 15.999 27 O 0.01254693349058 0.14514006691605 0.75000000000000 15.999 28 O 0.01254693349058 0.35485993308395 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.196360719999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.477033900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.777044999999999 Atomic positions (fractional): 1 Sr 0.34853091404393 0.00408694518693 0.37500000000000 87.620 > 1 2 Sr 0.84853091404393 0.00408694518693 0.37500000000000 87.620 > 1 3 Sr 0.34853091404393 0.00408694518693 0.87500000000000 87.620 > 1 4 Sr 0.84853091404393 0.00408694518693 0.87500000000000 87.620 > 1 5 Sr 0.34853091404393 0.49591305481307 0.12500000000000 87.620 > 5 6 Sr 0.84853091404393 0.49591305481307 0.12500000000000 87.620 > 5 7 Sr 0.34853091404393 0.49591305481307 0.62500000000000 87.620 > 5 8 Sr 0.84853091404393 0.49591305481307 0.62500000000000 87.620 > 5 9 Sr 0.15146908595607 0.50408694518693 0.37500000000000 87.620 > 9 10 Sr 0.65146908595607 0.50408694518693 0.37500000000000 87.620 > 9 11 Sr 0.15146908595607 0.50408694518693 0.87500000000000 87.620 > 9 12 Sr 0.65146908595607 0.50408694518693 0.87500000000000 87.620 > 9 13 Sr 0.15146908595607 0.99591305481307 0.12500000000000 87.620 > 13 14 Sr 0.65146908595607 0.99591305481307 0.12500000000000 87.620 > 13 15 Sr 0.15146908595607 0.99591305481307 0.62500000000000 87.620 > 13 16 Sr 0.65146908595607 0.99591305481307 0.62500000000000 87.620 > 13 17 Nb 0.42271717616315 0.25000000000000 0.00000000000000 92.906 > 17 18 Nb 0.92271717616315 0.25000000000000 0.00000000000000 92.906 > 17 19 Nb 0.42271717616315 0.25000000000000 0.50000000000000 92.906 > 17 20 Nb 0.92271717616315 0.25000000000000 0.50000000000000 92.906 > 17 21 Nb 0.42271717616315 0.25000000000000 0.25000000000000 92.906 > 21 22 Nb 0.92271717616315 0.25000000000000 0.25000000000000 92.906 > 21 23 Nb 0.42271717616315 0.25000000000000 0.75000000000000 92.906 > 21 24 Nb 0.92271717616315 0.25000000000000 0.75000000000000 92.906 > 21 25 Nb 0.32852203279920 0.74726937812378 0.37500000000000 92.906 > 25 26 Nb 0.82852203279920 0.74726937812378 0.37500000000000 92.906 > 25 27 Nb 0.32852203279920 0.74726937812378 0.87500000000000 92.906 > 25 28 Nb 0.82852203279920 0.74726937812378 0.87500000000000 92.906 > 25 29 Nb 0.32852203279920 0.75273062187622 0.12500000000000 92.906 > 29 30 Nb 0.82852203279920 0.75273062187622 0.12500000000000 92.906 > 29 31 Nb 0.32852203279920 0.75273062187622 0.62500000000000 92.906 > 29 32 Nb 0.82852203279920 0.75273062187622 0.62500000000000 92.906 > 29 33 Nb 0.17147796720080 0.24726937812378 0.37500000000000 92.906 > 33 34 Nb 0.67147796720080 0.24726937812378 0.37500000000000 92.906 > 33 35 Nb 0.17147796720080 0.24726937812378 0.87500000000000 92.906 > 33 36 Nb 0.67147796720080 0.24726937812378 0.87500000000000 92.906 > 33 37 Nb 0.17147796720080 0.25273062187622 0.12500000000000 92.906 > 37 38 Nb 0.67147796720080 0.25273062187622 0.12500000000000 92.906 > 37 39 Nb 0.17147796720080 0.25273062187622 0.62500000000000 92.906 > 37 40 Nb 0.67147796720080 0.25273062187622 0.62500000000000 92.906 > 37 41 Nb 0.07728282383685 0.75000000000000 0.00000000000000 92.906 > 41 42 Nb 0.57728282383685 0.75000000000000 0.00000000000000 92.906 > 41 43 Nb 0.07728282383685 0.75000000000000 0.50000000000000 92.906 > 41 44 Nb 0.57728282383685 0.75000000000000 0.50000000000000 92.906 > 41 45 Nb 0.07728282383685 0.75000000000000 0.25000000000000 92.906 > 45 46 Nb 0.57728282383685 0.75000000000000 0.25000000000000 92.906 > 45 47 Nb 0.07728282383685 0.75000000000000 0.75000000000000 92.906 > 45 48 Nb 0.57728282383685 0.75000000000000 0.75000000000000 92.906 > 45 49 O 0.49372653325471 0.64514006691605 0.37500000000000 15.999 > 49 50 O 0.99372653325471 0.64514006691605 0.37500000000000 15.999 > 49 51 O 0.49372653325471 0.64514006691605 0.87500000000000 15.999 > 49 52 O 0.99372653325471 0.64514006691605 0.87500000000000 15.999 > 49 53 O 0.49372653325471 0.85485993308395 0.12500000000000 15.999 > 53 54 O 0.99372653325471 0.85485993308395 0.12500000000000 15.999 > 53 55 O 0.49372653325471 0.85485993308395 0.62500000000000 15.999 > 53 56 O 0.99372653325471 0.85485993308395 0.62500000000000 15.999 > 53 57 O 0.49414238425473 0.85188065600155 0.37500000000000 15.999 > 57 58 O 0.99414238425473 0.85188065600155 0.37500000000000 15.999 > 57 59 O 0.49414238425473 0.85188065600155 0.87500000000000 15.999 > 57 60 O 0.99414238425473 0.85188065600155 0.87500000000000 15.999 > 57 61 O 0.49414238425473 0.64811934399845 0.12500000000000 15.999 > 61 62 O 0.99414238425473 0.64811934399845 0.12500000000000 15.999 > 61 63 O 0.49414238425473 0.64811934399845 0.62500000000000 15.999 > 61 64 O 0.99414238425473 0.64811934399845 0.62500000000000 15.999 > 61 65 O 0.25460570897321 0.14354815873289 0.24759197952997 15.999 > 65 66 O 0.75460570897321 0.14354815873289 0.24759197952997 15.999 > 65 67 O 0.25460570897321 0.14354815873289 0.74759197952997 15.999 > 65 68 O 0.75460570897321 0.14354815873289 0.74759197952997 15.999 > 65 69 O 0.25460570897321 0.14354815873289 0.00240802047003 15.999 > 69 70 O 0.75460570897321 0.14354815873289 0.00240802047003 15.999 > 69 71 O 0.25460570897321 0.14354815873289 0.50240802047003 15.999 > 69 72 O 0.75460570897321 0.14354815873289 0.50240802047003 15.999 > 69 73 O 0.25460570897321 0.35645184126711 0.49759197952997 15.999 > 73 74 O 0.75460570897321 0.35645184126711 0.49759197952997 15.999 > 73 75 O 0.25460570897321 0.35645184126711 0.99759197952997 15.999 > 73 76 O 0.75460570897321 0.35645184126711 0.99759197952997 15.999 > 73 77 O 0.25460570897321 0.35645184126711 0.25240802047003 15.999 > 77 78 O 0.75460570897321 0.35645184126711 0.25240802047003 15.999 > 77 79 O 0.25460570897321 0.35645184126711 0.75240802047003 15.999 > 77 80 O 0.75460570897321 0.35645184126711 0.75240802047003 15.999 > 77 81 O 0.24539429102679 0.64354815873289 0.24759197952997 15.999 > 81 82 O 0.74539429102679 0.64354815873289 0.24759197952997 15.999 > 81 83 O 0.24539429102679 0.64354815873289 0.74759197952997 15.999 > 81 84 O 0.74539429102679 0.64354815873289 0.74759197952997 15.999 > 81 85 O 0.24539429102679 0.85645184126711 0.49759197952997 15.999 > 85 86 O 0.74539429102679 0.85645184126711 0.49759197952997 15.999 > 85 87 O 0.24539429102679 0.85645184126711 0.99759197952997 15.999 > 85 88 O 0.74539429102679 0.85645184126711 0.99759197952997 15.999 > 85 89 O 0.24539429102679 0.85645184126711 0.25240802047003 15.999 > 89 90 O 0.74539429102679 0.85645184126711 0.25240802047003 15.999 > 89 91 O 0.24539429102679 0.85645184126711 0.75240802047003 15.999 > 89 92 O 0.74539429102679 0.85645184126711 0.75240802047003 15.999 > 89 93 O 0.24539429102679 0.64354815873289 0.00240802047003 15.999 > 93 94 O 0.74539429102679 0.64354815873289 0.00240802047003 15.999 > 93 95 O 0.24539429102679 0.64354815873289 0.50240802047003 15.999 > 93 96 O 0.74539429102679 0.64354815873289 0.50240802047003 15.999 > 93 97 O 0.00585761574527 0.14811934399845 0.12500000000000 15.999 > 97 98 O 0.50585761574527 0.14811934399845 0.12500000000000 15.999 > 97 99 O 0.00585761574527 0.14811934399845 0.62500000000000 15.999 > 97 100 O 0.50585761574527 0.14811934399845 0.62500000000000 15.999 > 97 101 O 0.00585761574527 0.35188065600155 0.37500000000000 15.999 > 101 102 O 0.50585761574527 0.35188065600155 0.37500000000000 15.999 > 101 103 O 0.00585761574527 0.35188065600155 0.87500000000000 15.999 > 101 104 O 0.50585761574527 0.35188065600155 0.87500000000000 15.999 > 101 105 O 0.00627346674529 0.14514006691605 0.37500000000000 15.999 > 105 106 O 0.50627346674529 0.14514006691605 0.37500000000000 15.999 > 105 107 O 0.00627346674529 0.14514006691605 0.87500000000000 15.999 > 105 108 O 0.50627346674529 0.14514006691605 0.87500000000000 15.999 > 105 109 O 0.00627346674529 0.35485993308395 0.12500000000000 15.999 > 109 110 O 0.50627346674529 0.35485993308395 0.12500000000000 15.999 > 109 111 O 0.00627346674529 0.35485993308395 0.62500000000000 15.999 > 109 112 O 0.50627346674529 0.35485993308395 0.62500000000000 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.3062089 0.0000000 0.0000000 0.0000000 4.5257549 0.0000000 0.0000000 0.0000000 10.1931547 -------------------------- Born effective charges -------------------------- 1 Sr 2.0275353 0.0120423 0.0000000 0.0283978 4.4214377 0.0000000 0.0000000 0.0000000 1.9722840 2 Sr 2.0275353 -0.0120423 0.0000000 -0.0283978 4.4214377 0.0000000 0.0000000 0.0000000 1.9722840 3 Sr 2.0275353 -0.0120423 0.0000000 -0.0283978 4.4214377 0.0000000 0.0000000 0.0000000 1.9722840 4 Sr 2.0275353 0.0120423 0.0000000 0.0283978 4.4214377 0.0000000 0.0000000 0.0000000 1.9722840 5 Nb 2.1559253 0.0000000 0.0000000 0.0000000 1.0758432 -0.1411691 0.0000000 -0.2373461 2.3727014 6 Nb 2.1559253 0.0000000 0.0000000 0.0000000 1.0758432 0.1411691 0.0000000 0.2373461 2.3727014 7 Nb 2.4556460 -0.0980905 0.0000000 -0.0387896 1.0388050 0.0000000 0.0000000 0.0000000 2.2611259 8 Nb 2.4556460 0.0980905 0.0000000 0.0387896 1.0388050 0.0000000 0.0000000 0.0000000 2.2611259 9 Nb 2.4556460 0.0980905 0.0000000 0.0387896 1.0388050 0.0000000 0.0000000 0.0000000 2.2611259 10 Nb 2.4556460 -0.0980905 0.0000000 -0.0387896 1.0388050 0.0000000 0.0000000 0.0000000 2.2611259 11 Nb 2.1559253 0.0000000 0.0000000 0.0000000 1.0758432 -0.1411691 0.0000000 -0.2373461 2.3727014 12 Nb 2.1559253 0.0000000 0.0000000 0.0000000 1.0758432 0.1411691 0.0000000 0.2373461 2.3727014 13 O -1.7756009 0.2313054 0.0000000 0.2497318 -1.5342292 0.0000000 0.0000000 0.0000000 -1.6607455 14 O -1.7756009 -0.2313054 0.0000000 -0.2497318 -1.5342292 0.0000000 0.0000000 0.0000000 -1.6607455 15 O -1.7608716 0.3376724 0.0000000 0.2623663 -1.5153444 0.0000000 0.0000000 0.0000000 -1.5630302 16 O -1.7608716 -0.3376724 0.0000000 -0.2623663 -1.5153444 0.0000000 0.0000000 0.0000000 -1.5630302 17 O -1.5513170 -0.0344177 -0.0657222 -0.0164349 -1.7432562 -0.0435693 -0.0866681 -0.0511457 -1.6911678 18 O -1.5513170 -0.0344177 0.0657222 -0.0164349 -1.7432562 0.0435693 0.0866681 0.0511457 -1.6911678 19 O -1.5513170 0.0344177 -0.0657222 0.0164349 -1.7432562 0.0435693 -0.0866681 0.0511457 -1.6911678 20 O -1.5513170 0.0344177 0.0657222 0.0164349 -1.7432562 -0.0435693 0.0866681 -0.0511457 -1.6911678 21 O -1.5513170 0.0344177 0.0657222 0.0164349 -1.7432562 -0.0435693 0.0866681 -0.0511457 -1.6911678 22 O -1.5513170 -0.0344177 0.0657222 -0.0164349 -1.7432562 0.0435693 0.0866681 0.0511457 -1.6911678 23 O -1.5513170 -0.0344177 -0.0657222 -0.0164349 -1.7432562 -0.0435693 -0.0866681 -0.0511457 -1.6911678 24 O -1.5513170 0.0344177 -0.0657222 0.0164349 -1.7432562 0.0435693 -0.0866681 0.0511457 -1.6911678 25 O -1.7608716 0.3376724 0.0000000 0.2623663 -1.5153444 0.0000000 0.0000000 0.0000000 -1.5630302 26 O -1.7608716 -0.3376724 0.0000000 -0.2623663 -1.5153444 0.0000000 0.0000000 0.0000000 -1.5630302 27 O -1.7756009 -0.2313054 0.0000000 -0.2497318 -1.5342292 0.0000000 0.0000000 0.0000000 -1.6607455 28 O -1.7756009 0.2313054 0.0000000 0.2497318 -1.5342292 0.0000000 0.0000000 0.0000000 -1.6607455 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (zyz) -0.00000005 (zyz) -0.00000005 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (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 2026-01-09 00:54:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:54:19]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.098180359999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.477033900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.888522500000000 Atomic positions (fractional): 1 Sr 0.69706182808786 0.00408694518693 0.75000000000000 87.620 2 Sr 0.69706182808786 0.49591305481307 0.25000000000000 87.620 3 Sr 0.30293817191214 0.50408694518693 0.75000000000000 87.620 4 Sr 0.30293817191214 0.99591305481307 0.25000000000000 87.620 5 Nb 0.84543435232629 0.25000000000000 0.00000000000000 92.906 6 Nb 0.84543435232629 0.25000000000000 0.50000000000000 92.906 7 Nb 0.65704406559840 0.74726937812378 0.75000000000000 92.906 8 Nb 0.65704406559840 0.75273062187622 0.25000000000000 92.906 9 Nb 0.34295593440160 0.24726937812378 0.75000000000000 92.906 10 Nb 0.34295593440160 0.25273062187622 0.25000000000000 92.906 11 Nb 0.15456564767371 0.75000000000000 0.00000000000000 92.906 12 Nb 0.15456564767371 0.75000000000000 0.50000000000000 92.906 13 O 0.98745306650942 0.64514006691605 0.75000000000000 15.999 14 O 0.98745306650942 0.85485993308395 0.25000000000000 15.999 15 O 0.98828476850946 0.85188065600155 0.75000000000000 15.999 16 O 0.98828476850946 0.64811934399845 0.25000000000000 15.999 17 O 0.50921141794642 0.14354815873289 0.49518395905993 15.999 18 O 0.50921141794642 0.14354815873289 0.00481604094007 15.999 19 O 0.50921141794642 0.35645184126711 0.99518395905993 15.999 20 O 0.50921141794642 0.35645184126711 0.50481604094007 15.999 21 O 0.49078858205358 0.64354815873289 0.49518395905993 15.999 22 O 0.49078858205358 0.85645184126711 0.99518395905993 15.999 23 O 0.49078858205358 0.85645184126711 0.50481604094007 15.999 24 O 0.49078858205358 0.64354815873289 0.00481604094007 15.999 25 O 0.01171523149054 0.14811934399845 0.25000000000000 15.999 26 O 0.01171523149054 0.35188065600155 0.75000000000000 15.999 27 O 0.01254693349058 0.14514006691605 0.75000000000000 15.999 28 O 0.01254693349058 0.35485993308395 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.196360719999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.477033900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.777044999999999 Atomic positions (fractional): 1 Sr 0.34853091404393 0.00408694518693 0.37500000000000 87.620 > 1 2 Sr 0.84853091404393 0.00408694518693 0.37500000000000 87.620 > 1 3 Sr 0.34853091404393 0.00408694518693 0.87500000000000 87.620 > 1 4 Sr 0.84853091404393 0.00408694518693 0.87500000000000 87.620 > 1 5 Sr 0.34853091404393 0.49591305481307 0.12500000000000 87.620 > 5 6 Sr 0.84853091404393 0.49591305481307 0.12500000000000 87.620 > 5 7 Sr 0.34853091404393 0.49591305481307 0.62500000000000 87.620 > 5 8 Sr 0.84853091404393 0.49591305481307 0.62500000000000 87.620 > 5 9 Sr 0.15146908595607 0.50408694518693 0.37500000000000 87.620 > 9 10 Sr 0.65146908595607 0.50408694518693 0.37500000000000 87.620 > 9 11 Sr 0.15146908595607 0.50408694518693 0.87500000000000 87.620 > 9 12 Sr 0.65146908595607 0.50408694518693 0.87500000000000 87.620 > 9 13 Sr 0.15146908595607 0.99591305481307 0.12500000000000 87.620 > 13 14 Sr 0.65146908595607 0.99591305481307 0.12500000000000 87.620 > 13 15 Sr 0.15146908595607 0.99591305481307 0.62500000000000 87.620 > 13 16 Sr 0.65146908595607 0.99591305481307 0.62500000000000 87.620 > 13 17 Nb 0.42271717616315 0.25000000000000 0.00000000000000 92.906 > 17 18 Nb 0.92271717616315 0.25000000000000 0.00000000000000 92.906 > 17 19 Nb 0.42271717616315 0.25000000000000 0.50000000000000 92.906 > 17 20 Nb 0.92271717616315 0.25000000000000 0.50000000000000 92.906 > 17 21 Nb 0.42271717616315 0.25000000000000 0.25000000000000 92.906 > 21 22 Nb 0.92271717616315 0.25000000000000 0.25000000000000 92.906 > 21 23 Nb 0.42271717616315 0.25000000000000 0.75000000000000 92.906 > 21 24 Nb 0.92271717616315 0.25000000000000 0.75000000000000 92.906 > 21 25 Nb 0.32852203279920 0.74726937812378 0.37500000000000 92.906 > 25 26 Nb 0.82852203279920 0.74726937812378 0.37500000000000 92.906 > 25 27 Nb 0.32852203279920 0.74726937812378 0.87500000000000 92.906 > 25 28 Nb 0.82852203279920 0.74726937812378 0.87500000000000 92.906 > 25 29 Nb 0.32852203279920 0.75273062187622 0.12500000000000 92.906 > 29 30 Nb 0.82852203279920 0.75273062187622 0.12500000000000 92.906 > 29 31 Nb 0.32852203279920 0.75273062187622 0.62500000000000 92.906 > 29 32 Nb 0.82852203279920 0.75273062187622 0.62500000000000 92.906 > 29 33 Nb 0.17147796720080 0.24726937812378 0.37500000000000 92.906 > 33 34 Nb 0.67147796720080 0.24726937812378 0.37500000000000 92.906 > 33 35 Nb 0.17147796720080 0.24726937812378 0.87500000000000 92.906 > 33 36 Nb 0.67147796720080 0.24726937812378 0.87500000000000 92.906 > 33 37 Nb 0.17147796720080 0.25273062187622 0.12500000000000 92.906 > 37 38 Nb 0.67147796720080 0.25273062187622 0.12500000000000 92.906 > 37 39 Nb 0.17147796720080 0.25273062187622 0.62500000000000 92.906 > 37 40 Nb 0.67147796720080 0.25273062187622 0.62500000000000 92.906 > 37 41 Nb 0.07728282383685 0.75000000000000 0.00000000000000 92.906 > 41 42 Nb 0.57728282383685 0.75000000000000 0.00000000000000 92.906 > 41 43 Nb 0.07728282383685 0.75000000000000 0.50000000000000 92.906 > 41 44 Nb 0.57728282383685 0.75000000000000 0.50000000000000 92.906 > 41 45 Nb 0.07728282383685 0.75000000000000 0.25000000000000 92.906 > 45 46 Nb 0.57728282383685 0.75000000000000 0.25000000000000 92.906 > 45 47 Nb 0.07728282383685 0.75000000000000 0.75000000000000 92.906 > 45 48 Nb 0.57728282383685 0.75000000000000 0.75000000000000 92.906 > 45 49 O 0.49372653325471 0.64514006691605 0.37500000000000 15.999 > 49 50 O 0.99372653325471 0.64514006691605 0.37500000000000 15.999 > 49 51 O 0.49372653325471 0.64514006691605 0.87500000000000 15.999 > 49 52 O 0.99372653325471 0.64514006691605 0.87500000000000 15.999 > 49 53 O 0.49372653325471 0.85485993308395 0.12500000000000 15.999 > 53 54 O 0.99372653325471 0.85485993308395 0.12500000000000 15.999 > 53 55 O 0.49372653325471 0.85485993308395 0.62500000000000 15.999 > 53 56 O 0.99372653325471 0.85485993308395 0.62500000000000 15.999 > 53 57 O 0.49414238425473 0.85188065600155 0.37500000000000 15.999 > 57 58 O 0.99414238425473 0.85188065600155 0.37500000000000 15.999 > 57 59 O 0.49414238425473 0.85188065600155 0.87500000000000 15.999 > 57 60 O 0.99414238425473 0.85188065600155 0.87500000000000 15.999 > 57 61 O 0.49414238425473 0.64811934399845 0.12500000000000 15.999 > 61 62 O 0.99414238425473 0.64811934399845 0.12500000000000 15.999 > 61 63 O 0.49414238425473 0.64811934399845 0.62500000000000 15.999 > 61 64 O 0.99414238425473 0.64811934399845 0.62500000000000 15.999 > 61 65 O 0.25460570897321 0.14354815873289 0.24759197952997 15.999 > 65 66 O 0.75460570897321 0.14354815873289 0.24759197952997 15.999 > 65 67 O 0.25460570897321 0.14354815873289 0.74759197952997 15.999 > 65 68 O 0.75460570897321 0.14354815873289 0.74759197952997 15.999 > 65 69 O 0.25460570897321 0.14354815873289 0.00240802047003 15.999 > 69 70 O 0.75460570897321 0.14354815873289 0.00240802047003 15.999 > 69 71 O 0.25460570897321 0.14354815873289 0.50240802047003 15.999 > 69 72 O 0.75460570897321 0.14354815873289 0.50240802047003 15.999 > 69 73 O 0.25460570897321 0.35645184126711 0.49759197952997 15.999 > 73 74 O 0.75460570897321 0.35645184126711 0.49759197952997 15.999 > 73 75 O 0.25460570897321 0.35645184126711 0.99759197952997 15.999 > 73 76 O 0.75460570897321 0.35645184126711 0.99759197952997 15.999 > 73 77 O 0.25460570897321 0.35645184126711 0.25240802047003 15.999 > 77 78 O 0.75460570897321 0.35645184126711 0.25240802047003 15.999 > 77 79 O 0.25460570897321 0.35645184126711 0.75240802047003 15.999 > 77 80 O 0.75460570897321 0.35645184126711 0.75240802047003 15.999 > 77 81 O 0.24539429102679 0.64354815873289 0.24759197952997 15.999 > 81 82 O 0.74539429102679 0.64354815873289 0.24759197952997 15.999 > 81 83 O 0.24539429102679 0.64354815873289 0.74759197952997 15.999 > 81 84 O 0.74539429102679 0.64354815873289 0.74759197952997 15.999 > 81 85 O 0.24539429102679 0.85645184126711 0.49759197952997 15.999 > 85 86 O 0.74539429102679 0.85645184126711 0.49759197952997 15.999 > 85 87 O 0.24539429102679 0.85645184126711 0.99759197952997 15.999 > 85 88 O 0.74539429102679 0.85645184126711 0.99759197952997 15.999 > 85 89 O 0.24539429102679 0.85645184126711 0.25240802047003 15.999 > 89 90 O 0.74539429102679 0.85645184126711 0.25240802047003 15.999 > 89 91 O 0.24539429102679 0.85645184126711 0.75240802047003 15.999 > 89 92 O 0.74539429102679 0.85645184126711 0.75240802047003 15.999 > 89 93 O 0.24539429102679 0.64354815873289 0.00240802047003 15.999 > 93 94 O 0.74539429102679 0.64354815873289 0.00240802047003 15.999 > 93 95 O 0.24539429102679 0.64354815873289 0.50240802047003 15.999 > 93 96 O 0.74539429102679 0.64354815873289 0.50240802047003 15.999 > 93 97 O 0.00585761574527 0.14811934399845 0.12500000000000 15.999 > 97 98 O 0.50585761574527 0.14811934399845 0.12500000000000 15.999 > 97 99 O 0.00585761574527 0.14811934399845 0.62500000000000 15.999 > 97 100 O 0.50585761574527 0.14811934399845 0.62500000000000 15.999 > 97 101 O 0.00585761574527 0.35188065600155 0.37500000000000 15.999 > 101 102 O 0.50585761574527 0.35188065600155 0.37500000000000 15.999 > 101 103 O 0.00585761574527 0.35188065600155 0.87500000000000 15.999 > 101 104 O 0.50585761574527 0.35188065600155 0.87500000000000 15.999 > 101 105 O 0.00627346674529 0.14514006691605 0.37500000000000 15.999 > 105 106 O 0.50627346674529 0.14514006691605 0.37500000000000 15.999 > 105 107 O 0.00627346674529 0.14514006691605 0.87500000000000 15.999 > 105 108 O 0.50627346674529 0.14514006691605 0.87500000000000 15.999 > 105 109 O 0.00627346674529 0.35485993308395 0.12500000000000 15.999 > 109 110 O 0.50627346674529 0.35485993308395 0.12500000000000 15.999 > 109 111 O 0.00627346674529 0.35485993308395 0.62500000000000 15.999 > 109 112 O 0.50627346674529 0.35485993308395 0.62500000000000 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.3062089 0.0000000 0.0000000 0.0000000 4.5257549 0.0000000 0.0000000 0.0000000 10.1931547 -------------------------- Born effective charges -------------------------- 1 Sr 2.0275353 0.0120423 0.0000000 0.0283978 4.4214377 0.0000000 0.0000000 0.0000000 1.9722840 2 Sr 2.0275353 -0.0120423 0.0000000 -0.0283978 4.4214377 0.0000000 0.0000000 0.0000000 1.9722840 3 Sr 2.0275353 -0.0120423 0.0000000 -0.0283978 4.4214377 0.0000000 0.0000000 0.0000000 1.9722840 4 Sr 2.0275353 0.0120423 0.0000000 0.0283978 4.4214377 0.0000000 0.0000000 0.0000000 1.9722840 5 Nb 2.1559253 0.0000000 0.0000000 0.0000000 1.0758432 -0.1411691 0.0000000 -0.2373461 2.3727014 6 Nb 2.1559253 0.0000000 0.0000000 0.0000000 1.0758432 0.1411691 0.0000000 0.2373461 2.3727014 7 Nb 2.4556460 -0.0980905 0.0000000 -0.0387896 1.0388050 0.0000000 0.0000000 0.0000000 2.2611259 8 Nb 2.4556460 0.0980905 0.0000000 0.0387896 1.0388050 0.0000000 0.0000000 0.0000000 2.2611259 9 Nb 2.4556460 0.0980905 0.0000000 0.0387896 1.0388050 0.0000000 0.0000000 0.0000000 2.2611259 10 Nb 2.4556460 -0.0980905 0.0000000 -0.0387896 1.0388050 0.0000000 0.0000000 0.0000000 2.2611259 11 Nb 2.1559253 0.0000000 0.0000000 0.0000000 1.0758432 -0.1411691 0.0000000 -0.2373461 2.3727014 12 Nb 2.1559253 0.0000000 0.0000000 0.0000000 1.0758432 0.1411691 0.0000000 0.2373461 2.3727014 13 O -1.7756009 0.2313054 0.0000000 0.2497318 -1.5342292 0.0000000 0.0000000 0.0000000 -1.6607455 14 O -1.7756009 -0.2313054 0.0000000 -0.2497318 -1.5342292 0.0000000 0.0000000 0.0000000 -1.6607455 15 O -1.7608716 0.3376724 0.0000000 0.2623663 -1.5153444 0.0000000 0.0000000 0.0000000 -1.5630302 16 O -1.7608716 -0.3376724 0.0000000 -0.2623663 -1.5153444 0.0000000 0.0000000 0.0000000 -1.5630302 17 O -1.5513170 -0.0344177 -0.0657222 -0.0164349 -1.7432562 -0.0435693 -0.0866681 -0.0511457 -1.6911678 18 O -1.5513170 -0.0344177 0.0657222 -0.0164349 -1.7432562 0.0435693 0.0866681 0.0511457 -1.6911678 19 O -1.5513170 0.0344177 -0.0657222 0.0164349 -1.7432562 0.0435693 -0.0866681 0.0511457 -1.6911678 20 O -1.5513170 0.0344177 0.0657222 0.0164349 -1.7432562 -0.0435693 0.0866681 -0.0511457 -1.6911678 21 O -1.5513170 0.0344177 0.0657222 0.0164349 -1.7432562 -0.0435693 0.0866681 -0.0511457 -1.6911678 22 O -1.5513170 -0.0344177 0.0657222 -0.0164349 -1.7432562 0.0435693 0.0866681 0.0511457 -1.6911678 23 O -1.5513170 -0.0344177 -0.0657222 -0.0164349 -1.7432562 -0.0435693 -0.0866681 -0.0511457 -1.6911678 24 O -1.5513170 0.0344177 -0.0657222 0.0164349 -1.7432562 0.0435693 -0.0866681 0.0511457 -1.6911678 25 O -1.7608716 0.3376724 0.0000000 0.2623663 -1.5153444 0.0000000 0.0000000 0.0000000 -1.5630302 26 O -1.7608716 -0.3376724 0.0000000 -0.2623663 -1.5153444 0.0000000 0.0000000 0.0000000 -1.5630302 27 O -1.7756009 -0.2313054 0.0000000 -0.2497318 -1.5342292 0.0000000 0.0000000 0.0000000 -1.6607455 28 O -1.7756009 0.2313054 0.0000000 0.2497318 -1.5342292 0.0000000 0.0000000 0.0000000 -1.6607455 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (zyz) -0.00000005 (zyz) -0.00000005 (zzy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 4 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 305, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 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 1.362 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 4.310 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 4.909 ( 0.000 0.000 0.000) 0.000 5.166 ( 0.000 0.000 0.000) 0.000 6.592 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 6.865 ( 0.000 0.000 0.000) 0.000 6.869 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 7.206 ( 0.000 0.000 0.000) 0.000 7.469 ( 0.000 0.000 0.000) 0.000 7.476 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 0.000) 0.000 7.626 ( 0.000 0.000 0.000) 0.000 7.956 ( 0.000 0.000 0.000) 0.000 7.975 ( 0.000 0.000 0.000) 0.000 8.160 ( 0.000 0.000 0.000) 0.000 8.163 ( 0.000 0.000 0.000) 0.000 9.706 ( 0.000 0.000 0.000) 0.000 9.733 ( 0.000 0.000 0.000) 0.000 10.073 ( 0.000 0.000 0.000) 0.000 10.104 ( 0.000 0.000 0.000) 0.000 10.549 ( 0.000 0.000 0.000) 0.000 10.576 ( 0.000 0.000 0.000) 0.000 12.130 ( 0.000 0.000 0.000) 0.000 12.158 ( 0.000 0.000 0.000) 0.000 12.271 ( 0.000 0.000 0.000) 0.000 12.341 ( 0.000 0.000 0.000) 0.000 12.511 ( 0.000 0.000 0.000) 0.000 12.522 ( 0.000 0.000 0.000) 0.000 12.672 ( 0.000 0.000 0.000) 0.000 12.726 ( 0.000 0.000 0.000) 0.000 13.053 ( 0.000 0.000 0.000) 0.000 13.064 ( 0.000 0.000 0.000) 0.000 13.087 ( 0.000 0.000 0.000) 0.000 13.121 ( 0.000 0.000 0.000) 0.000 13.279 ( 0.000 0.000 0.000) 0.000 13.399 ( 0.000 0.000 0.000) 0.000 13.424 ( 0.000 0.000 0.000) 0.000 13.486 ( 0.000 0.000 0.000) 0.000 13.514 ( 0.000 0.000 0.000) 0.000 13.589 ( 0.000 0.000 0.000) 0.000 13.707 ( 0.000 0.000 0.000) 0.000 13.840 ( 0.000 0.000 0.000) 0.000 13.842 ( 0.000 0.000 0.000) 0.000 13.891 ( 0.000 0.000 0.000) 0.000 14.061 ( 0.000 0.000 0.000) 0.000 14.091 ( 0.000 0.000 0.000) 0.000 14.110 ( 0.000 0.000 0.000) 0.000 14.245 ( 0.000 0.000 0.000) 0.000 14.263 ( 0.000 0.000 0.000) 0.000 14.275 ( 0.000 0.000 0.000) 0.000 14.344 ( 0.000 0.000 0.000) 0.000 14.413 ( 0.000 0.000 0.000) 0.000 14.487 ( 0.000 0.000 0.000) 0.000 14.564 ( 0.000 0.000 0.000) 0.000 14.600 ( 0.000 0.000 0.000) 0.000 14.745 ( 0.000 0.000 0.000) 0.000 15.303 ( 0.000 0.000 0.000) 0.000 15.483 ( 0.000 0.000 0.000) 0.000 15.526 ( 0.000 0.000 0.000) 0.000 15.616 ( 0.000 0.000 0.000) 0.000 16.153 ( 0.000 0.000 0.000) 0.000 16.402 ( 0.000 0.000 0.000) 0.000 16.404 ( 0.000 0.000 0.000) 0.000 16.685 ( 0.000 0.000 0.000) 0.000 16.995 ( 0.000 0.000 0.000) 0.000 17.628 ( 0.000 0.000 0.000) 0.000 18.911 ( 0.000 0.000 0.000) 0.000 19.177 ( 0.000 0.000 0.000) 0.000 19.330 ( 0.000 0.000 0.000) 0.000 20.603 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 27.180 0.000 0.000) 27.180 0.862 ( 42.809 0.000 0.000) 42.809 1.462 ( 71.871 0.000 0.000) 71.871 1.685 ( 29.600 0.000 0.000) 29.600 2.461 ( 50.894 0.000 0.000) 50.894 2.721 ( 3.199 0.000 0.000) 3.199 3.150 ( 5.583 0.000 0.000) 5.583 3.334 ( -0.348 0.000 0.000) 0.348 3.962 ( 0.333 0.000 0.000) 0.333 4.111 ( 9.878 0.000 0.000) 9.878 4.315 ( 0.830 0.000 0.000) 0.830 4.422 ( -0.492 0.000 0.000) 0.492 4.506 ( -5.224 0.000 0.000) 5.224 4.597 ( -2.310 0.000 0.000) 2.310 4.949 ( 3.957 0.000 0.000) 3.957 5.174 ( 0.576 0.000 0.000) 0.576 6.532 ( -6.108 0.000 0.000) 6.108 6.608 ( -22.621 0.000 0.000) 22.621 6.656 ( 1.820 0.000 0.000) 1.820 6.836 ( -4.466 0.000 0.000) 4.466 7.073 ( -7.873 0.000 0.000) 7.873 7.161 ( -3.455 0.000 0.000) 3.455 7.319 ( -14.519 0.000 0.000) 14.519 7.436 ( -16.610 0.000 0.000) 16.610 7.462 ( 0.994 0.000 0.000) 0.994 7.696 ( 4.723 0.000 0.000) 4.723 7.842 ( -10.852 0.000 0.000) 10.852 7.857 ( -11.162 0.000 0.000) 11.162 8.089 ( -7.029 0.000 0.000) 7.029 8.091 ( -7.161 0.000 0.000) 7.161 9.791 ( 7.996 0.000 0.000) 7.996 9.819 ( 8.109 0.000 0.000) 8.109 10.139 ( 6.436 0.000 0.000) 6.436 10.168 ( 6.208 0.000 0.000) 6.208 10.414 ( -13.596 0.000 0.000) 13.596 10.450 ( -12.950 0.000 0.000) 12.950 12.127 ( -0.287 0.000 0.000) 0.287 12.153 ( -0.455 0.000 0.000) 0.455 12.336 ( 6.462 0.000 0.000) 6.462 12.446 ( 9.600 0.000 0.000) 9.600 12.495 ( -1.780 0.000 0.000) 1.780 12.506 ( -1.815 0.000 0.000) 1.815 12.660 ( -1.207 0.000 0.000) 1.207 12.711 ( -1.499 0.000 0.000) 1.499 13.063 ( -0.661 0.000 0.000) 0.661 13.088 ( 0.067 0.000 0.000) 0.067 13.119 ( -0.254 0.000 0.000) 0.254 13.169 ( -0.317 0.000 0.000) 0.317 13.352 ( 6.915 0.000 0.000) 6.915 13.394 ( -0.624 0.000 0.000) 0.624 13.462 ( -1.732 0.000 0.000) 1.732 13.523 ( 8.762 0.000 0.000) 8.762 13.567 ( 4.155 0.000 0.000) 4.155 13.714 ( -9.812 0.000 0.000) 9.812 13.752 ( -9.020 0.000 0.000) 9.020 13.772 ( 5.820 0.000 0.000) 5.820 13.811 ( -8.011 0.000 0.000) 8.011 13.886 ( 4.499 0.000 0.000) 4.499 14.128 ( 3.602 0.000 0.000) 3.602 14.152 ( 3.059 0.000 0.000) 3.059 14.187 ( 3.445 0.000 0.000) 3.445 14.219 ( -2.532 0.000 0.000) 2.532 14.323 ( -2.187 0.000 0.000) 2.187 14.362 ( 8.801 0.000 0.000) 8.801 14.431 ( -1.863 0.000 0.000) 1.863 14.488 ( 6.977 0.000 0.000) 6.977 14.505 ( 1.999 0.000 0.000) 1.999 14.605 ( 4.316 0.000 0.000) 4.316 14.700 ( 7.379 0.000 0.000) 7.379 15.050 ( -0.840 0.000 0.000) 0.840 15.334 ( 3.101 0.000 0.000) 3.101 15.513 ( 3.036 0.000 0.000) 3.036 15.586 ( 5.393 0.000 0.000) 5.393 15.718 ( 11.009 0.000 0.000) 11.009 16.174 ( 1.278 0.000 0.000) 1.278 16.241 ( -9.506 0.000 0.000) 9.506 16.468 ( -1.647 0.000 0.000) 1.647 17.032 ( 3.606 0.000 0.000) 3.606 17.075 ( 8.922 0.000 0.000) 8.922 17.651 ( 2.257 0.000 0.000) 2.257 18.831 ( -8.077 0.000 0.000) 8.077 19.000 ( -20.827 0.000 0.000) 20.827 19.159 ( -11.904 0.000 0.000) 11.904 20.364 ( -22.038 0.000 0.000) 22.038 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 37.753 0.000 0.000) 37.753 1.651 ( 36.661 0.000 0.000) 36.661 2.391 ( 40.046 0.000 0.000) 40.046 2.738 ( 55.216 0.000 0.000) 55.216 2.808 ( 5.516 0.000 0.000) 5.516 3.247 ( -7.397 0.000 0.000) 7.397 3.325 ( 12.697 0.000 0.000) 12.697 3.598 ( 59.706 0.000 0.000) 59.706 4.017 ( 1.815 0.000 0.000) 1.815 4.291 ( 2.828 0.000 0.000) 2.828 4.407 ( -1.054 0.000 0.000) 1.054 4.448 ( 2.567 0.000 0.000) 2.567 4.496 ( 25.286 0.000 0.000) 25.286 4.532 ( -4.109 0.000 0.000) 4.109 5.058 ( 7.262 0.000 0.000) 7.262 5.165 ( -2.541 0.000 0.000) 2.541 6.166 ( -18.409 0.000 0.000) 18.409 6.353 ( -12.015 0.000 0.000) 12.015 6.611 ( -11.048 0.000 0.000) 11.048 6.638 ( -15.902 0.000 0.000) 15.902 6.938 ( -1.462 0.000 0.000) 1.462 6.940 ( -22.889 0.000 0.000) 22.889 7.050 ( -20.254 0.000 0.000) 20.254 7.130 ( 0.832 0.000 0.000) 0.832 7.521 ( 4.371 0.000 0.000) 4.371 7.572 ( -15.477 0.000 0.000) 15.477 7.583 ( -15.646 0.000 0.000) 15.646 7.787 ( 4.631 0.000 0.000) 4.631 7.901 ( -11.380 0.000 0.000) 11.380 7.903 ( -11.259 0.000 0.000) 11.259 9.984 ( 10.883 0.000 0.000) 10.883 10.016 ( 11.105 0.000 0.000) 11.105 10.028 ( -25.542 0.000 0.000) 25.542 10.069 ( -25.675 0.000 0.000) 25.675 10.303 ( 9.542 0.000 0.000) 9.542 10.326 ( 9.245 0.000 0.000) 9.245 12.120 ( -0.439 0.000 0.000) 0.439 12.141 ( -0.719 0.000 0.000) 0.719 12.435 ( -4.484 0.000 0.000) 4.484 12.445 ( -4.393 0.000 0.000) 4.393 12.506 ( 10.233 0.000 0.000) 10.233 12.628 ( -1.931 0.000 0.000) 1.931 12.666 ( 11.739 0.000 0.000) 11.739 12.672 ( -2.328 0.000 0.000) 2.328 13.033 ( -2.269 0.000 0.000) 2.269 13.088 ( -0.075 0.000 0.000) 0.075 13.113 ( -0.228 0.000 0.000) 0.228 13.135 ( -3.025 0.000 0.000) 3.025 13.373 ( -1.460 0.000 0.000) 1.460 13.434 ( -1.130 0.000 0.000) 1.130 13.512 ( 8.232 0.000 0.000) 8.232 13.536 ( -7.441 0.000 0.000) 7.441 13.580 ( -4.549 0.000 0.000) 4.549 13.601 ( -5.958 0.000 0.000) 5.958 13.690 ( -3.184 0.000 0.000) 3.184 13.697 ( 7.459 0.000 0.000) 7.459 13.908 ( 7.517 0.000 0.000) 7.517 14.002 ( 6.869 0.000 0.000) 6.869 14.152 ( -4.105 0.000 0.000) 4.105 14.173 ( -0.354 0.000 0.000) 0.354 14.181 ( 2.106 0.000 0.000) 2.106 14.234 ( 1.930 0.000 0.000) 1.930 14.262 ( -3.828 0.000 0.000) 3.828 14.422 ( -0.203 0.000 0.000) 0.203 14.556 ( 9.785 0.000 0.000) 9.785 14.575 ( 5.243 0.000 0.000) 5.243 14.649 ( 8.547 0.000 0.000) 8.547 14.729 ( 7.893 0.000 0.000) 7.893 14.847 ( 7.119 0.000 0.000) 7.119 15.040 ( 0.053 0.000 0.000) 0.053 15.417 ( 5.106 0.000 0.000) 5.106 15.595 ( 4.981 0.000 0.000) 4.981 15.733 ( 9.920 0.000 0.000) 9.920 16.025 ( -10.078 0.000 0.000) 10.078 16.044 ( 21.594 0.000 0.000) 21.594 16.237 ( 2.603 0.000 0.000) 2.603 16.383 ( -5.977 0.000 0.000) 5.977 17.129 ( 5.982 0.000 0.000) 5.982 17.278 ( 10.840 0.000 0.000) 10.840 17.713 ( 4.017 0.000 0.000) 4.017 18.468 ( -29.149 0.000 0.000) 29.149 18.604 ( -14.731 0.000 0.000) 14.731 18.913 ( -13.534 0.000 0.000) 13.534 19.852 ( -27.865 0.000 0.000) 27.865 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 45.009 0.000 0.000) 45.009 2.257 ( 24.301 0.000 0.000) 24.301 2.926 ( 6.104 0.000 0.000) 6.104 3.123 ( -3.823 0.000 0.000) 3.823 3.198 ( 41.311 0.000 0.000) 41.311 3.540 ( 27.341 0.000 0.000) 27.341 3.667 ( 22.357 0.000 0.000) 22.357 3.920 ( -10.316 0.000 0.000) 10.316 4.240 ( 0.911 0.000 0.000) 0.911 4.384 ( -1.064 0.000 0.000) 1.064 4.443 ( -4.736 0.000 0.000) 4.736 4.654 ( 14.834 0.000 0.000) 14.834 4.725 ( 41.123 0.000 0.000) 41.123 5.016 ( -13.692 0.000 0.000) 13.692 5.064 ( 15.443 0.000 0.000) 15.443 5.403 ( 42.238 0.000 0.000) 42.238 6.028 ( 9.098 0.000 0.000) 9.098 6.088 ( -13.707 0.000 0.000) 13.707 6.217 ( -25.393 0.000 0.000) 25.393 6.247 ( -24.103 0.000 0.000) 24.103 6.478 ( -22.528 0.000 0.000) 22.528 6.715 ( -13.153 0.000 0.000) 13.153 7.010 ( 6.153 0.000 0.000) 6.153 7.172 ( 2.672 0.000 0.000) 2.672 7.274 ( -14.036 0.000 0.000) 14.036 7.283 ( -14.005 0.000 0.000) 14.005 7.613 ( 4.596 0.000 0.000) 4.596 7.675 ( -11.048 0.000 0.000) 11.048 7.679 ( -10.824 0.000 0.000) 10.824 7.876 ( 4.179 0.000 0.000) 4.179 9.422 ( -36.071 0.000 0.000) 36.071 9.454 ( -36.542 0.000 0.000) 36.542 10.191 ( 9.655 0.000 0.000) 9.655 10.226 ( 9.776 0.000 0.000) 9.776 10.488 ( 8.769 0.000 0.000) 8.769 10.506 ( 8.546 0.000 0.000) 8.546 12.111 ( -0.420 0.000 0.000) 0.420 12.127 ( -0.724 0.000 0.000) 0.724 12.326 ( -6.161 0.000 0.000) 6.161 12.340 ( -5.928 0.000 0.000) 5.928 12.589 ( -1.985 0.000 0.000) 1.985 12.625 ( -2.323 0.000 0.000) 2.323 12.713 ( 10.313 0.000 0.000) 10.313 12.877 ( 9.297 0.000 0.000) 9.297 12.983 ( -2.553 0.000 0.000) 2.553 13.062 ( -4.067 0.000 0.000) 4.067 13.087 ( 0.051 0.000 0.000) 0.051 13.110 ( -0.165 0.000 0.000) 0.165 13.343 ( -1.455 0.000 0.000) 1.455 13.416 ( -0.747 0.000 0.000) 0.747 13.433 ( -3.213 0.000 0.000) 3.213 13.469 ( -5.155 0.000 0.000) 5.155 13.520 ( -2.496 0.000 0.000) 2.496 13.621 ( -4.642 0.000 0.000) 4.642 13.646 ( 5.124 0.000 0.000) 5.124 13.792 ( 2.483 0.000 0.000) 2.483 14.050 ( 6.545 0.000 0.000) 6.545 14.065 ( -4.569 0.000 0.000) 4.569 14.136 ( 6.337 0.000 0.000) 6.337 14.163 ( -0.386 0.000 0.000) 0.386 14.179 ( -4.498 0.000 0.000) 4.498 14.217 ( 1.522 0.000 0.000) 1.522 14.269 ( 1.568 0.000 0.000) 1.568 14.392 ( -2.743 0.000 0.000) 2.743 14.700 ( 6.811 0.000 0.000) 6.811 14.725 ( 7.231 0.000 0.000) 7.231 14.801 ( 6.670 0.000 0.000) 6.670 14.889 ( 7.651 0.000 0.000) 7.651 14.960 ( 3.913 0.000 0.000) 3.913 15.049 ( 0.609 0.000 0.000) 0.609 15.522 ( 5.225 0.000 0.000) 5.225 15.696 ( 5.060 0.000 0.000) 5.060 15.849 ( -7.473 0.000 0.000) 7.473 15.980 ( 15.014 0.000 0.000) 15.014 16.213 ( -6.076 0.000 0.000) 6.076 16.324 ( 1.386 0.000 0.000) 1.386 16.527 ( 26.369 0.000 0.000) 26.369 17.253 ( 6.288 0.000 0.000) 6.288 17.477 ( 9.038 0.000 0.000) 9.038 17.806 ( 5.419 0.000 0.000) 5.419 17.956 ( -21.649 0.000 0.000) 21.649 18.273 ( -18.253 0.000 0.000) 18.253 18.648 ( -12.737 0.000 0.000) 12.737 19.314 ( -26.681 0.000 0.000) 26.681 ======================= Grid point 4 (5/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 10.687 0.000 0.000) 10.687 2.826 ( 46.225 0.000 0.000) 46.225 3.031 ( 4.213 0.000 0.000) 4.213 3.118 ( 3.100 0.000 0.000) 3.100 3.684 ( -12.120 0.000 0.000) 12.120 3.914 ( 13.079 0.000 0.000) 13.079 3.961 ( 33.273 0.000 0.000) 33.273 4.165 ( 25.905 0.000 0.000) 25.905 4.206 ( -3.397 0.000 0.000) 3.397 4.359 ( -3.390 0.000 0.000) 3.390 4.395 ( 4.696 0.000 0.000) 4.696 4.489 ( -31.902 0.000 0.000) 31.902 5.051 ( 17.406 0.000 0.000) 17.406 5.170 ( 7.670 0.000 0.000) 7.670 5.206 ( 3.697 0.000 0.000) 3.697 5.666 ( -29.575 0.000 0.000) 29.575 5.736 ( -26.480 0.000 0.000) 26.480 5.810 ( -16.157 0.000 0.000) 16.157 6.147 ( -9.304 0.000 0.000) 9.304 6.459 ( 57.507 0.000 0.000) 57.507 6.531 ( -5.941 0.000 0.000) 5.941 6.632 ( 46.406 0.000 0.000) 46.406 7.051 ( -8.211 0.000 0.000) 8.211 7.061 ( -8.143 0.000 0.000) 8.143 7.129 ( 5.260 0.000 0.000) 5.260 7.214 ( 1.229 0.000 0.000) 1.229 7.493 ( -6.858 0.000 0.000) 6.858 7.505 ( -6.452 0.000 0.000) 6.452 7.688 ( 2.767 0.000 0.000) 2.767 7.933 ( 0.465 0.000 0.000) 0.465 8.611 ( -46.245 0.000 0.000) 46.245 8.676 ( -41.165 0.000 0.000) 41.165 10.345 ( 5.645 0.000 0.000) 5.645 10.381 ( 5.668 0.000 0.000) 5.668 10.628 ( 5.121 0.000 0.000) 5.121 10.643 ( 5.052 0.000 0.000) 5.052 12.105 ( -0.250 0.000 0.000) 0.250 12.114 ( -0.476 0.000 0.000) 0.476 12.216 ( -4.384 0.000 0.000) 4.384 12.234 ( -4.259 0.000 0.000) 4.259 12.555 ( -1.287 0.000 0.000) 1.287 12.586 ( -1.474 0.000 0.000) 1.474 12.887 ( 6.833 0.000 0.000) 6.833 12.942 ( -1.493 0.000 0.000) 1.493 12.990 ( -2.907 0.000 0.000) 2.907 13.020 ( 5.053 0.000 0.000) 5.053 13.090 ( 0.201 0.000 0.000) 0.201 13.107 ( -0.131 0.000 0.000) 0.131 13.319 ( -0.867 0.000 0.000) 0.867 13.397 ( -0.802 0.000 0.000) 0.802 13.397 ( -2.059 0.000 0.000) 2.059 13.404 ( -0.415 0.000 0.000) 0.415 13.492 ( -0.678 0.000 0.000) 0.678 13.523 ( -4.572 0.000 0.000) 4.572 13.715 ( 2.119 0.000 0.000) 2.119 13.815 ( 0.314 0.000 0.000) 0.314 13.985 ( -3.205 0.000 0.000) 3.205 14.096 ( -3.590 0.000 0.000) 3.590 14.153 ( 3.716 0.000 0.000) 3.716 14.162 ( 0.318 0.000 0.000) 0.318 14.237 ( 3.687 0.000 0.000) 3.687 14.240 ( 0.863 0.000 0.000) 0.863 14.294 ( 0.918 0.000 0.000) 0.918 14.333 ( -2.752 0.000 0.000) 2.752 14.813 ( 4.202 0.000 0.000) 4.202 14.834 ( 3.777 0.000 0.000) 3.777 14.902 ( 3.550 0.000 0.000) 3.550 14.998 ( 0.414 0.000 0.000) 0.414 15.010 ( 4.390 0.000 0.000) 4.390 15.054 ( -0.223 0.000 0.000) 0.223 15.609 ( 3.291 0.000 0.000) 3.291 15.742 ( -3.349 0.000 0.000) 3.349 15.780 ( 3.162 0.000 0.000) 3.162 16.101 ( -4.330 0.000 0.000) 4.330 16.289 ( 14.829 0.000 0.000) 14.829 16.356 ( 1.279 0.000 0.000) 1.279 17.007 ( 20.159 0.000 0.000) 20.159 17.364 ( 4.839 0.000 0.000) 4.839 17.577 ( -3.685 0.000 0.000) 3.685 17.686 ( -1.218 0.000 0.000) 1.218 17.863 ( -9.767 0.000 0.000) 9.767 18.000 ( 2.595 0.000 0.000) 2.595 18.438 ( -8.150 0.000 0.000) 8.150 18.810 ( -24.351 0.000 0.000) 24.351 ======================= Grid point 5 (6/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.516 ( -0.000 0.000 0.000) 0.000 3.646 ( -0.000 0.000 0.000) 0.000 3.822 ( 0.000 0.000 0.000) 0.000 4.094 ( -0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.235 ( 0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.556 ( 0.000 0.000 0.000) 0.000 4.592 ( -0.000 0.000 0.000) 0.000 5.229 ( -0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.335 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.533 ( -0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 0.000) 0.000 6.473 ( 0.000 0.000 0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 6.979 ( 0.000 0.000 0.000) 0.000 7.194 ( 0.000 0.000 0.000) 0.000 7.215 ( 0.000 0.000 0.000) 0.000 7.416 ( 0.000 0.000 0.000) 0.000 7.423 ( -0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 0.000) 0.000 7.714 ( 0.000 0.000 0.000) 0.000 7.730 ( -0.000 0.000 0.000) 0.000 7.758 ( 0.000 0.000 0.000) 0.000 8.156 ( -0.000 0.000 0.000) 0.000 10.402 ( -0.000 0.000 0.000) 0.000 10.438 ( 0.000 0.000 0.000) 0.000 10.679 ( 0.000 0.000 0.000) 0.000 10.694 ( 0.000 0.000 0.000) 0.000 12.102 ( 0.000 0.000 0.000) 0.000 12.110 ( 0.000 0.000 0.000) 0.000 12.171 ( 0.000 0.000 0.000) 0.000 12.190 ( 0.000 0.000 0.000) 0.000 12.542 ( 0.000 0.000 0.000) 0.000 12.571 ( 0.000 0.000 0.000) 0.000 12.928 ( -0.000 0.000 0.000) 0.000 12.958 ( 0.000 0.000 0.000) 0.000 12.959 ( 0.000 0.000 0.000) 0.000 13.070 ( 0.000 0.000 0.000) 0.000 13.093 ( 0.000 0.000 0.000) 0.000 13.105 ( 0.000 0.000 0.000) 0.000 13.311 ( 0.000 0.000 0.000) 0.000 13.381 ( -0.000 0.000 0.000) 0.000 13.391 ( 0.000 0.000 0.000) 0.000 13.400 ( 0.000 0.000 0.000) 0.000 13.471 ( 0.000 0.000 0.000) 0.000 13.486 ( 0.000 0.000 0.000) 0.000 13.735 ( 0.000 0.000 0.000) 0.000 13.816 ( 0.000 0.000 0.000) 0.000 13.952 ( 0.000 0.000 0.000) 0.000 14.056 ( -0.000 0.000 0.000) 0.000 14.168 ( -0.000 0.000 0.000) 0.000 14.190 ( 0.000 0.000 0.000) 0.000 14.249 ( 0.000 0.000 0.000) 0.000 14.274 ( 0.000 0.000 0.000) 0.000 14.302 ( 0.000 0.000 0.000) 0.000 14.303 ( 0.000 0.000 0.000) 0.000 14.855 ( 0.000 0.000 0.000) 0.000 14.872 ( 0.000 0.000 0.000) 0.000 14.938 ( 0.000 0.000 0.000) 0.000 14.998 ( 0.000 0.000 0.000) 0.000 15.049 ( 0.000 0.000 0.000) 0.000 15.054 ( 0.000 0.000 0.000) 0.000 15.642 ( 0.000 0.000 0.000) 0.000 15.711 ( 0.000 0.000 0.000) 0.000 15.812 ( 0.000 0.000 0.000) 0.000 16.057 ( 0.000 0.000 0.000) 0.000 16.369 ( 0.000 0.000 0.000) 0.000 16.461 ( 0.000 0.000 0.000) 0.000 17.221 ( 0.000 0.000 0.000) 0.000 17.427 ( 0.000 0.000 0.000) 0.000 17.502 ( 0.000 0.000 0.000) 0.000 17.682 ( 0.000 0.000 0.000) 0.000 17.718 ( 0.000 0.000 0.000) 0.000 18.165 ( -0.000 0.000 0.000) 0.000 18.353 ( -0.000 0.000 0.000) 0.000 18.466 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 0.000 22.401 0.000) 22.401 0.633 ( 0.000 30.845 0.000) 30.845 1.222 ( 0.000 -13.031 0.000) 13.031 1.387 ( 0.000 67.736 0.000) 67.736 1.686 ( 0.000 -18.306 0.000) 18.306 2.769 ( 0.000 7.039 0.000) 7.039 3.050 ( 0.000 -4.498 0.000) 4.498 3.433 ( 0.000 9.864 0.000) 9.864 3.666 ( 0.000 -34.795 0.000) 34.795 3.818 ( 0.000 -6.210 0.000) 6.210 4.311 ( 0.000 0.161 0.000) 0.161 4.400 ( 0.000 -8.289 0.000) 8.289 4.452 ( 0.000 2.406 0.000) 2.406 4.588 ( 0.000 -2.954 0.000) 2.954 4.944 ( 0.000 3.352 0.000) 3.352 5.124 ( 0.000 -3.790 0.000) 3.790 6.673 ( 0.000 3.776 0.000) 3.776 6.841 ( 0.000 -2.756 0.000) 2.756 7.062 ( 0.000 13.879 0.000) 13.879 7.160 ( 0.000 0.416 0.000) 0.416 7.194 ( 0.000 -1.006 0.000) 1.006 7.320 ( 0.000 -1.567 0.000) 1.567 7.440 ( 0.000 0.864 0.000) 0.864 7.589 ( 0.000 -3.550 0.000) 3.550 7.628 ( 0.000 11.379 0.000) 11.379 7.929 ( 0.000 -1.386 0.000) 1.386 7.959 ( 0.000 0.278 0.000) 0.278 7.972 ( 0.000 -0.254 0.000) 0.254 8.188 ( 0.000 3.133 0.000) 3.133 8.599 ( 0.000 -11.087 0.000) 11.087 9.710 ( 0.000 0.391 0.000) 0.391 9.729 ( 0.000 -0.371 0.000) 0.371 10.077 ( 0.000 0.405 0.000) 0.405 10.099 ( 0.000 -0.462 0.000) 0.462 10.554 ( 0.000 0.435 0.000) 0.435 10.573 ( 0.000 -0.307 0.000) 0.307 12.135 ( 0.000 0.403 0.000) 0.403 12.154 ( 0.000 -0.356 0.000) 0.356 12.282 ( 0.000 1.031 0.000) 1.031 12.335 ( 0.000 -1.055 0.000) 1.055 12.512 ( 0.000 0.068 0.000) 0.068 12.519 ( 0.000 -0.246 0.000) 0.246 12.681 ( 0.000 0.802 0.000) 0.802 12.719 ( 0.000 -0.705 0.000) 0.705 13.050 ( 0.000 -0.197 0.000) 0.197 13.057 ( 0.000 -0.538 0.000) 0.538 13.092 ( 0.000 0.443 0.000) 0.443 13.116 ( 0.000 -0.506 0.000) 0.506 13.344 ( 0.000 1.775 0.000) 1.775 13.411 ( 0.000 1.118 0.000) 1.118 13.413 ( 0.000 -1.085 0.000) 1.085 13.472 ( 0.000 -1.289 0.000) 1.289 13.533 ( 0.000 1.719 0.000) 1.719 13.588 ( 0.000 -0.294 0.000) 0.294 13.718 ( 0.000 1.077 0.000) 1.077 13.794 ( 0.000 -2.395 0.000) 2.395 13.880 ( 0.000 1.493 0.000) 1.493 13.896 ( 0.000 0.333 0.000) 0.333 14.070 ( 0.000 0.751 0.000) 0.751 14.102 ( 0.000 1.133 0.000) 1.133 14.103 ( 0.000 -0.619 0.000) 0.619 14.201 ( 0.000 -3.220 0.000) 3.220 14.275 ( 0.000 0.660 0.000) 0.660 14.290 ( 0.000 1.493 0.000) 1.493 14.326 ( 0.000 -1.650 0.000) 1.650 14.387 ( 0.000 -2.339 0.000) 2.339 14.501 ( 0.000 1.063 0.000) 1.063 14.542 ( 0.000 -1.157 0.000) 1.157 14.644 ( 0.000 2.951 0.000) 2.951 14.734 ( 0.000 -1.138 0.000) 1.138 15.333 ( 0.000 2.754 0.000) 2.754 15.459 ( 0.000 -2.257 0.000) 2.257 15.543 ( 0.000 1.587 0.000) 1.587 15.623 ( 0.000 -1.582 0.000) 1.582 16.192 ( 0.000 3.889 0.000) 3.889 16.390 ( 0.000 -1.558 0.000) 1.558 16.409 ( 0.000 0.540 0.000) 0.540 16.541 ( 0.000 -9.224 0.000) 9.224 17.167 ( 0.000 12.226 0.000) 12.226 17.570 ( 0.000 -5.890 0.000) 5.890 19.199 ( 0.000 2.090 0.000) 2.090 19.307 ( 0.000 -2.148 0.000) 2.148 20.614 ( 0.000 1.012 0.000) 1.012 20.662 ( 0.000 -0.897 0.000) 0.897 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 38.379 11.386 0.000) 40.033 1.249 ( 19.180 41.305 0.000) 45.541 1.552 ( 29.597 -11.959 0.000) 31.921 1.747 ( 51.956 33.622 0.000) 61.886 2.246 ( 46.453 -18.316 0.000) 49.934 2.810 ( 4.293 7.681 0.000) 8.799 3.104 ( 5.557 -4.545 0.000) 7.179 3.439 ( 0.146 0.180 0.000) 0.232 3.728 ( 8.728 -19.650 0.000) 21.501 4.002 ( 13.921 -8.788 0.000) 16.463 4.307 ( -0.236 -0.598 0.000) 0.643 4.359 ( -3.791 -6.958 0.000) 7.924 4.445 ( -0.717 2.187 0.000) 2.302 4.568 ( -1.992 -2.659 0.000) 3.322 4.980 ( 3.512 2.948 0.000) 4.585 5.138 ( 1.178 -3.304 0.000) 3.508 6.690 ( 1.021 3.101 0.000) 3.265 6.771 ( -25.648 11.517 0.000) 28.115 6.815 ( -31.196 13.762 0.000) 34.097 6.817 ( -3.510 -1.865 0.000) 3.975 7.081 ( -7.396 0.790 0.000) 7.438 7.142 ( -4.176 -1.668 0.000) 4.497 7.348 ( -13.650 3.029 0.000) 13.982 7.458 ( -12.686 1.038 0.000) 12.729 7.550 ( -11.383 6.831 0.000) 13.275 7.678 ( 2.765 -1.358 0.000) 3.081 7.844 ( -10.901 0.222 0.000) 10.903 7.855 ( -11.120 -0.204 0.000) 11.121 8.104 ( -7.887 1.372 0.000) 8.005 8.128 ( -11.506 2.687 0.000) 11.816 9.795 ( 8.014 0.402 0.000) 8.024 9.815 ( 8.094 -0.380 0.000) 8.103 10.143 ( 6.342 0.355 0.000) 6.352 10.163 ( 6.180 -0.451 0.000) 6.197 10.420 ( -13.458 0.549 0.000) 13.469 10.445 ( -12.990 -0.442 0.000) 12.998 12.131 ( -0.318 0.374 0.000) 0.491 12.150 ( -0.438 -0.338 0.000) 0.553 12.358 ( 6.716 1.883 0.000) 6.975 12.433 ( 9.126 -1.250 0.000) 9.211 12.496 ( -1.773 0.071 0.000) 1.775 12.503 ( -1.795 -0.232 0.000) 1.810 12.668 ( -1.254 0.761 0.000) 1.467 12.704 ( -1.457 -0.661 0.000) 1.600 13.066 ( -0.004 0.335 0.000) 0.335 13.092 ( 0.023 0.393 0.000) 0.393 13.114 ( -0.204 -0.454 0.000) 0.498 13.129 ( 1.213 -2.836 0.000) 3.084 13.402 ( 6.530 3.852 0.000) 7.582 13.404 ( -0.721 0.970 0.000) 1.209 13.453 ( -1.495 -0.913 0.000) 1.752 13.516 ( 7.887 -0.940 0.000) 7.943 13.594 ( 4.448 2.606 0.000) 5.155 13.708 ( -7.604 -0.157 0.000) 7.606 13.737 ( -7.341 -1.111 0.000) 7.425 13.763 ( -1.985 -4.361 0.000) 4.791 13.801 ( 2.510 2.221 0.000) 3.351 13.877 ( 3.530 -0.966 0.000) 3.660 14.138 ( 3.688 0.931 0.000) 3.804 14.143 ( 2.312 -0.035 0.000) 2.312 14.180 ( 3.562 -0.723 0.000) 3.634 14.236 ( -0.062 0.704 0.000) 0.707 14.282 ( -2.314 -3.589 0.000) 4.270 14.359 ( 3.507 -4.753 0.000) 5.907 14.377 ( 8.555 1.426 0.000) 8.673 14.465 ( 7.261 -2.067 0.000) 7.550 14.528 ( 1.849 1.397 0.000) 2.318 14.582 ( 4.215 -1.662 0.000) 4.530 14.725 ( 7.129 2.155 0.000) 7.447 14.893 ( 8.840 -8.660 0.000) 12.374 15.364 ( 3.088 2.743 0.000) 4.130 15.490 ( 3.043 -2.250 0.000) 3.785 15.598 ( 5.125 1.222 0.000) 5.268 15.690 ( 7.984 -2.534 0.000) 8.377 16.214 ( 0.211 3.704 0.000) 3.710 16.306 ( -3.916 6.102 0.000) 7.251 16.414 ( -1.109 -4.421 0.000) 4.558 16.727 ( 11.386 -15.600 0.000) 19.313 17.245 ( 6.908 10.018 0.000) 12.168 17.598 ( 2.721 -5.293 0.000) 5.952 18.960 ( -21.999 2.890 0.000) 22.188 19.059 ( -24.257 -0.760 0.000) 24.269 19.587 ( -35.599 35.751 0.000) 50.452 20.313 ( -25.810 -5.447 0.000) 26.379 ======================= Grid point 13 (9/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 21.732 38.141 0.000) 43.897 1.733 ( 35.744 7.952 0.000) 36.618 2.220 ( 34.904 -13.165 0.000) 37.304 2.880 ( 49.616 11.356 0.000) 50.899 2.925 ( 13.452 -21.031 0.000) 24.965 2.950 ( 11.027 10.362 0.000) 15.132 3.279 ( 12.820 -4.555 0.000) 13.605 3.740 ( 36.059 -2.778 0.000) 36.166 3.995 ( 17.954 0.972 0.000) 17.980 4.247 ( 2.101 -8.126 0.000) 8.393 4.277 ( -0.060 -3.732 0.000) 3.733 4.423 ( -1.448 1.589 0.000) 2.150 4.444 ( 24.541 -5.363 0.000) 25.120 4.512 ( -3.599 -1.890 0.000) 4.065 5.074 ( 5.942 1.511 0.000) 6.131 5.151 ( -0.629 -1.351 0.000) 1.491 6.279 ( -20.574 8.114 0.000) 22.116 6.384 ( -16.632 2.158 0.000) 16.771 6.618 ( -12.247 0.575 0.000) 12.260 6.636 ( -15.536 -0.202 0.000) 15.537 6.962 ( -23.093 2.224 0.000) 23.199 6.965 ( -0.701 2.559 0.000) 2.654 7.053 ( -21.695 -0.267 0.000) 21.697 7.101 ( 0.794 -2.733 0.000) 2.846 7.562 ( 4.080 3.880 0.000) 5.630 7.574 ( -15.503 0.146 0.000) 15.504 7.581 ( -15.622 -0.137 0.000) 15.623 7.748 ( 3.715 -3.548 0.000) 5.137 7.907 ( -11.491 0.490 0.000) 11.501 7.914 ( -11.101 0.641 0.000) 11.119 9.989 ( 10.915 0.453 0.000) 10.924 10.011 ( 11.072 -0.431 0.000) 11.080 10.032 ( -25.473 0.473 0.000) 25.477 10.062 ( -25.549 -0.677 0.000) 25.558 10.307 ( 9.391 0.410 0.000) 9.400 10.324 ( 9.171 -0.243 0.000) 9.174 12.123 ( -0.491 0.296 0.000) 0.574 12.138 ( -0.690 -0.291 0.000) 0.749 12.436 ( -4.447 0.102 0.000) 4.448 12.443 ( -4.376 -0.200 0.000) 4.381 12.530 ( 10.234 2.254 0.000) 10.479 12.635 ( -2.015 0.642 0.000) 2.115 12.642 ( 11.292 -2.226 0.000) 11.509 12.666 ( -2.290 -0.580 0.000) 2.362 13.043 ( -2.155 0.982 0.000) 2.368 13.092 ( -0.085 0.330 0.000) 0.341 13.109 ( -0.190 -0.367 0.000) 0.414 13.112 ( -2.501 -1.961 0.000) 3.178 13.382 ( -1.436 0.894 0.000) 1.691 13.425 ( -1.247 -0.798 0.000) 1.481 13.546 ( -7.052 0.882 0.000) 7.107 13.549 ( 7.351 3.250 0.000) 8.037 13.591 ( -6.017 -0.927 0.000) 6.088 13.602 ( -4.463 2.027 0.000) 4.901 13.664 ( 2.121 -1.869 0.000) 2.827 13.698 ( 1.693 -0.882 0.000) 1.909 13.919 ( 7.140 1.078 0.000) 7.220 13.986 ( 6.601 -1.537 0.000) 6.778 14.136 ( -2.424 0.122 0.000) 2.427 14.193 ( 2.285 1.038 0.000) 2.509 14.218 ( -2.502 0.877 0.000) 2.651 14.230 ( 2.074 -0.474 0.000) 2.128 14.240 ( -1.528 0.077 0.000) 1.530 14.391 ( 0.160 -2.977 0.000) 2.981 14.566 ( 9.645 1.011 0.000) 9.698 14.596 ( 5.258 1.900 0.000) 5.591 14.631 ( 8.767 -1.569 0.000) 8.906 14.698 ( 7.260 -2.576 0.000) 7.704 14.873 ( 7.243 2.134 0.000) 7.551 14.997 ( 3.118 -3.582 0.000) 4.749 15.447 ( 5.082 2.711 0.000) 5.760 15.571 ( 4.996 -2.229 0.000) 5.471 15.744 ( 9.767 1.187 0.000) 9.839 15.887 ( 7.668 -6.378 0.000) 9.973 16.154 ( -0.139 4.850 0.000) 4.852 16.342 ( -5.056 -1.955 0.000) 5.421 16.366 ( 7.039 9.424 0.000) 11.762 16.922 ( 8.932 -14.530 0.000) 17.056 17.404 ( 8.721 7.836 0.000) 11.724 17.671 ( 4.630 -4.097 0.000) 6.182 18.476 ( -27.377 1.085 0.000) 27.398 18.562 ( -21.331 -2.674 0.000) 21.498 19.147 ( -17.989 18.648 0.000) 25.911 19.769 ( -27.741 -8.346 0.000) 28.969 ======================= Grid point 14 (10/90) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 34.485 19.690 0.000) 39.710 2.326 ( 23.608 6.681 0.000) 24.536 2.754 ( 16.781 -12.285 0.000) 20.797 2.976 ( 2.253 -14.221 0.000) 14.398 3.342 ( 30.484 9.661 0.000) 31.978 3.629 ( 23.117 -3.777 0.000) 23.424 3.653 ( 26.447 11.038 0.000) 28.658 3.936 ( -8.577 2.081 0.000) 8.826 4.174 ( -3.614 -5.809 0.000) 6.841 4.392 ( -1.568 0.742 0.000) 1.735 4.406 ( 15.564 -18.421 0.000) 24.116 4.433 ( -4.161 -0.891 0.000) 4.255 4.858 ( 40.015 8.489 0.000) 40.906 5.045 ( 3.938 1.088 0.000) 4.086 5.101 ( 8.863 3.836 0.000) 9.657 5.341 ( 38.177 -5.684 0.000) 38.598 6.050 ( -1.425 1.476 0.000) 2.052 6.092 ( -11.589 0.068 0.000) 11.590 6.222 ( -25.200 0.425 0.000) 25.203 6.243 ( -24.284 -0.402 0.000) 24.287 6.521 ( -19.132 4.168 0.000) 19.581 6.694 ( -13.617 -2.235 0.000) 13.799 7.034 ( 5.578 2.239 0.000) 6.011 7.148 ( 3.091 -2.232 0.000) 3.812 7.276 ( -13.989 0.141 0.000) 13.990 7.282 ( -13.982 -0.111 0.000) 13.983 7.630 ( -1.297 1.272 0.000) 1.816 7.672 ( -10.408 -0.645 0.000) 10.428 7.701 ( -5.030 2.792 0.000) 5.752 7.849 ( 3.741 -2.623 0.000) 4.569 9.425 ( -36.174 0.348 0.000) 36.176 9.448 ( -36.514 -0.536 0.000) 36.518 10.196 ( 9.670 0.498 0.000) 9.682 10.221 ( 9.755 -0.484 0.000) 9.767 10.491 ( 8.728 0.289 0.000) 8.733 10.504 ( 8.571 -0.219 0.000) 8.574 12.113 ( -0.477 0.196 0.000) 0.516 12.124 ( -0.693 -0.228 0.000) 0.729 12.328 ( -6.109 0.189 0.000) 6.112 12.338 ( -5.942 -0.212 0.000) 5.946 12.594 ( -2.058 0.501 0.000) 2.118 12.620 ( -2.292 -0.511 0.000) 2.348 12.735 ( 10.091 2.094 0.000) 10.306 12.850 ( 9.332 -2.490 0.000) 9.659 12.992 ( -2.668 0.893 0.000) 2.814 13.048 ( -3.569 -1.299 0.000) 3.799 13.091 ( 0.040 0.320 0.000) 0.322 13.107 ( -0.111 -0.300 0.000) 0.320 13.353 ( -1.369 0.995 0.000) 1.693 13.404 ( -0.937 -1.030 0.000) 1.392 13.448 ( -3.021 1.339 0.000) 3.305 13.491 ( -5.206 2.108 0.000) 5.617 13.509 ( -2.510 -1.049 0.000) 2.720 13.597 ( -4.704 -2.073 0.000) 5.140 13.672 ( 4.203 2.281 0.000) 4.782 13.777 ( 2.483 -1.644 0.000) 2.977 14.054 ( 6.195 0.509 0.000) 6.216 14.069 ( -4.050 0.831 0.000) 4.135 14.111 ( 5.666 -1.948 0.000) 5.992 14.151 ( -4.007 -1.976 0.000) 4.468 14.214 ( -1.021 3.805 0.000) 3.940 14.236 ( 2.155 1.385 0.000) 2.562 14.268 ( 1.816 -0.162 0.000) 1.824 14.367 ( -2.309 -2.434 0.000) 3.355 14.720 ( 6.641 1.924 0.000) 6.914 14.734 ( 7.178 0.833 0.000) 7.226 14.787 ( 6.783 -1.282 0.000) 6.903 14.844 ( 6.883 -3.413 0.000) 7.683 14.987 ( 4.160 1.826 0.000) 4.543 15.042 ( 1.528 -0.748 0.000) 1.701 15.551 ( 5.194 2.662 0.000) 5.837 15.674 ( 5.080 -2.195 0.000) 5.534 15.873 ( -4.725 2.228 0.000) 5.224 15.966 ( 11.449 -1.381 0.000) 11.532 16.218 ( -2.967 0.616 0.000) 3.030 16.287 ( 5.194 -2.643 0.000) 5.828 16.621 ( 19.227 8.333 0.000) 20.955 17.090 ( 8.288 -12.353 0.000) 14.875 17.572 ( 8.068 6.220 0.000) 10.187 17.771 ( 5.112 -3.165 0.000) 6.012 17.992 ( -19.957 3.348 0.000) 20.236 18.192 ( -17.066 -5.887 0.000) 18.053 18.802 ( -17.063 12.264 0.000) 21.013 19.246 ( -25.654 -6.726 0.000) 26.521 ======================= Grid point 15 (11/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 10.170 5.374 0.000) 11.503 2.869 ( 38.109 4.162 0.000) 38.335 2.956 ( 5.962 -6.822 0.000) 9.060 3.081 ( 8.282 -3.749 0.000) 9.091 3.705 ( -13.126 2.661 0.000) 13.393 4.003 ( 31.162 3.693 0.000) 31.380 4.011 ( -4.814 -6.219 0.000) 7.864 4.047 ( 7.077 6.066 0.000) 9.321 4.144 ( 26.188 -2.103 0.000) 26.272 4.365 ( -1.864 0.481 0.000) 1.925 4.389 ( 3.747 -0.494 0.000) 3.779 4.671 ( -7.048 3.545 0.000) 7.889 4.770 ( 1.878 -8.364 0.000) 8.572 5.139 ( -1.020 -5.306 0.000) 5.403 5.444 ( 9.107 14.106 0.000) 16.791 5.677 ( -29.101 0.992 0.000) 29.118 5.726 ( -26.907 -0.922 0.000) 26.923 5.795 ( -10.049 -2.091 0.000) 10.264 6.119 ( -3.370 -1.480 0.000) 3.680 6.314 ( 24.025 -9.294 0.000) 25.760 6.608 ( 29.272 3.837 0.000) 29.523 6.662 ( 35.881 1.696 0.000) 35.921 7.051 ( -8.154 0.093 0.000) 8.154 7.058 ( -8.056 -0.196 0.000) 8.058 7.141 ( 4.524 1.201 0.000) 4.680 7.201 ( 1.772 -1.174 0.000) 2.126 7.492 ( -6.381 -0.014 0.000) 6.381 7.500 ( -6.324 -0.280 0.000) 6.330 7.737 ( 2.552 4.338 0.000) 5.032 7.907 ( 1.085 -2.523 0.000) 2.746 8.617 ( -45.747 0.648 0.000) 45.752 8.663 ( -42.188 -1.169 0.000) 42.204 10.350 ( 5.646 0.511 0.000) 5.669 10.376 ( 5.662 -0.507 0.000) 5.685 10.630 ( 5.107 0.240 0.000) 5.113 10.641 ( 5.058 -0.187 0.000) 5.062 12.106 ( -0.294 0.103 0.000) 0.312 12.113 ( -0.452 -0.171 0.000) 0.483 12.219 ( -4.356 0.260 0.000) 4.364 12.232 ( -4.267 -0.241 0.000) 4.274 12.559 ( -1.325 0.404 0.000) 1.385 12.582 ( -1.454 -0.459 0.000) 1.525 12.899 ( 5.494 1.109 0.000) 5.605 12.948 ( -1.297 0.269 0.000) 1.324 12.975 ( 0.427 -0.868 0.000) 0.968 13.012 ( 3.178 -0.887 0.000) 3.299 13.093 ( 0.163 0.263 0.000) 0.309 13.105 ( -0.072 -0.191 0.000) 0.204 13.332 ( -0.749 1.187 0.000) 1.404 13.390 ( -0.395 -1.136 0.000) 1.203 13.413 ( -0.880 1.396 0.000) 1.650 13.415 ( -2.451 1.642 0.000) 2.950 13.481 ( -0.698 -1.109 0.000) 1.310 13.503 ( -4.200 -1.896 0.000) 4.608 13.727 ( 1.606 1.247 0.000) 2.033 13.800 ( 0.319 -1.497 0.000) 1.530 13.993 ( -3.217 1.055 0.000) 3.386 14.074 ( -3.405 -1.927 0.000) 3.913 14.149 ( 3.361 -0.093 0.000) 3.362 14.192 ( 2.484 -2.172 0.000) 3.300 14.202 ( -0.161 3.312 0.000) 3.316 14.279 ( 2.039 1.573 0.000) 2.575 14.299 ( 1.236 0.324 0.000) 1.278 14.318 ( -2.280 -1.536 0.000) 2.749 14.829 ( 3.990 1.568 0.000) 4.287 14.842 ( 3.759 0.765 0.000) 3.836 14.890 ( 3.600 -1.143 0.000) 3.777 14.941 ( 2.688 -3.414 0.000) 4.346 15.042 ( 1.838 1.225 0.000) 2.209 15.058 ( 0.260 0.253 0.000) 0.363 15.637 ( 3.268 2.613 0.000) 4.184 15.757 ( 3.179 -2.159 0.000) 3.842 15.795 ( -2.682 4.966 0.000) 5.644 16.047 ( -2.132 -5.088 0.000) 5.517 16.295 ( 9.125 1.354 0.000) 9.225 16.366 ( 2.991 -0.043 0.000) 2.991 17.024 ( 18.662 2.056 0.000) 18.774 17.248 ( 7.725 -8.143 0.000) 11.224 17.655 ( -7.856 4.716 0.000) 9.163 17.717 ( 1.690 2.399 0.000) 2.934 17.857 ( -7.541 -0.123 0.000) 7.542 17.965 ( 4.074 -3.141 0.000) 5.144 18.504 ( -12.272 5.968 0.000) 13.647 18.764 ( -22.998 -4.456 0.000) 23.426 ======================= Grid point 16 (12/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 0.000 4.864 0.000) 4.864 3.014 ( 0.000 -5.651 0.000) 5.651 3.212 ( 0.000 3.881 0.000) 3.881 3.481 ( -0.000 -5.680 0.000) 5.680 3.540 ( -0.000 -4.145 0.000) 4.145 3.667 ( 0.000 -8.980 0.000) 8.980 4.253 ( 0.000 1.590 0.000) 1.590 4.293 ( -0.000 15.903 0.000) 15.903 4.315 ( 0.000 -0.929 0.000) 0.929 4.357 ( 0.000 17.187 0.000) 17.187 4.562 ( 0.000 0.537 0.000) 0.537 4.587 ( -0.000 -0.451 0.000) 0.451 4.991 ( 0.001 -15.898 0.000) 15.898 5.039 ( -0.001 -14.446 0.000) 14.446 5.262 ( 0.000 2.081 0.000) 2.081 5.361 ( 0.000 -1.820 0.000) 1.820 5.522 ( 0.001 9.792 0.000) 9.792 5.661 ( -0.000 6.809 0.000) 6.809 6.071 ( -0.000 1.236 0.000) 1.236 6.381 ( 0.000 -8.392 0.000) 8.392 6.969 ( 0.000 0.121 0.000) 0.121 6.977 ( 0.000 -0.185 0.000) 0.185 7.197 ( 0.000 0.265 0.000) 0.265 7.212 ( 0.000 -0.312 0.000) 0.312 7.377 ( 0.000 -1.329 0.000) 1.329 7.398 ( -0.000 -2.010 0.000) 2.010 7.475 ( 0.000 2.414 0.000) 2.414 7.491 ( 0.000 1.745 0.000) 1.745 7.716 ( 0.000 0.268 0.000) 0.268 7.729 ( -0.000 -0.172 0.000) 0.172 7.826 ( 0.000 6.274 0.000) 6.274 8.105 ( -0.000 -4.868 0.000) 4.868 10.407 ( -0.000 0.510 0.000) 0.510 10.433 ( 0.000 -0.511 0.000) 0.511 10.682 ( 0.000 0.230 0.000) 0.230 10.692 ( 0.000 -0.183 0.000) 0.183 12.103 ( 0.000 0.059 0.000) 0.059 12.108 ( 0.000 -0.146 0.000) 0.146 12.174 ( 0.000 0.285 0.000) 0.285 12.188 ( 0.000 -0.249 0.000) 0.249 12.546 ( 0.000 0.371 0.000) 0.371 12.567 ( 0.000 -0.440 0.000) 0.440 12.927 ( -0.000 -0.044 0.000) 0.044 12.935 ( 0.000 -0.767 0.000) 0.767 12.993 ( 0.000 1.834 0.000) 1.834 13.058 ( 0.000 -1.100 0.000) 1.100 13.095 ( 0.000 0.215 0.000) 0.215 13.104 ( 0.000 -0.130 0.000) 0.130 13.325 ( 0.000 1.299 0.000) 1.299 13.387 ( 0.000 -1.222 0.000) 1.222 13.393 ( -0.000 1.132 0.000) 1.132 13.406 ( 0.000 1.434 0.000) 1.434 13.456 ( 0.000 -1.407 0.000) 1.407 13.475 ( 0.000 -1.140 0.000) 1.140 13.742 ( 0.000 0.785 0.000) 0.785 13.801 ( -0.000 -1.450 0.000) 1.450 13.959 ( 0.000 0.985 0.000) 0.985 14.037 ( -0.000 -1.800 0.000) 1.800 14.183 ( 0.000 -0.413 0.000) 0.413 14.202 ( -0.000 2.839 0.000) 2.839 14.215 ( 0.000 -1.981 0.000) 1.981 14.293 ( 0.000 -1.023 0.000) 1.023 14.302 ( 0.000 1.365 0.000) 1.365 14.312 ( 0.000 0.611 0.000) 0.611 14.868 ( 0.000 1.303 0.000) 1.303 14.879 ( 0.000 0.747 0.000) 0.747 14.925 ( 0.000 -1.101 0.000) 1.101 14.962 ( -0.000 -2.777 0.000) 2.777 15.055 ( 0.000 0.576 0.000) 0.576 15.066 ( -0.000 0.548 0.000) 0.548 15.670 ( 0.000 2.591 0.000) 2.591 15.770 ( 0.000 5.473 0.000) 5.473 15.790 ( 0.000 -2.142 0.000) 2.142 16.019 ( 0.000 -3.947 0.000) 3.947 16.370 ( 0.000 0.220 0.000) 0.220 16.429 ( 0.000 -2.559 0.000) 2.559 17.236 ( 0.000 1.435 0.000) 1.435 17.351 ( 0.000 -4.464 0.000) 4.464 17.555 ( 0.000 3.012 0.000) 3.012 17.662 ( -0.000 -1.861 0.000) 1.861 17.810 ( 0.000 7.799 0.000) 7.799 18.113 ( -0.000 -4.969 0.000) 4.969 18.372 ( -0.000 1.723 0.000) 1.723 18.451 ( 0.000 -1.459 0.000) 1.459 ======================= Grid point 22 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.000 -19.666 0.000) 19.666 0.885 ( 0.000 19.666 0.000) 19.666 1.219 ( 0.000 -27.098 0.000) 27.098 1.219 ( 0.000 27.098 0.000) 27.098 2.676 ( 0.000 -59.515 0.000) 59.515 2.676 ( 0.000 59.515 0.000) 59.515 2.925 ( 0.000 -7.644 0.000) 7.644 2.925 ( 0.000 7.644 0.000) 7.644 3.647 ( 0.000 -10.381 0.000) 10.381 3.647 ( 0.000 10.381 0.000) 10.381 4.322 ( 0.000 -1.303 0.000) 1.303 4.322 ( 0.000 1.303 0.000) 1.303 4.516 ( 0.000 -3.752 0.000) 3.752 4.516 ( 0.000 3.752 0.000) 3.752 5.031 ( 0.000 -4.975 0.000) 4.975 5.032 ( 0.000 4.975 0.000) 4.975 6.764 ( 0.000 -4.660 0.000) 4.660 6.764 ( 0.000 4.660 0.000) 4.660 7.173 ( 0.000 -0.924 0.000) 0.924 7.173 ( 0.000 0.924 0.000) 0.924 7.259 ( 0.000 -5.419 0.000) 5.419 7.259 ( 0.000 5.419 0.000) 5.419 7.500 ( 0.000 -4.574 0.000) 4.574 7.500 ( 0.000 4.574 0.000) 4.574 7.851 ( 0.000 -7.783 0.000) 7.783 7.851 ( 0.000 7.783 0.000) 7.783 7.965 ( 0.000 -0.375 0.000) 0.375 7.965 ( 0.000 0.375 0.000) 0.375 8.337 ( 0.000 -12.262 0.000) 12.262 8.337 ( 0.000 12.262 0.000) 12.262 9.720 ( 0.000 -0.538 0.000) 0.538 9.720 ( 0.000 0.538 0.000) 0.538 10.088 ( 0.000 -0.610 0.000) 0.610 10.088 ( 0.000 0.610 0.000) 0.610 10.564 ( 0.000 -0.525 0.000) 0.525 10.564 ( 0.000 0.525 0.000) 0.525 12.145 ( 0.000 -0.537 0.000) 0.537 12.145 ( 0.000 0.537 0.000) 0.537 12.308 ( 0.000 -1.475 0.000) 1.475 12.308 ( 0.000 1.475 0.000) 1.475 12.514 ( 0.000 -0.202 0.000) 0.202 12.514 ( 0.000 0.202 0.000) 0.202 12.700 ( 0.000 -1.044 0.000) 1.044 12.700 ( 0.000 1.044 0.000) 1.044 13.049 ( 0.000 -0.155 0.000) 0.155 13.049 ( 0.000 0.155 0.000) 0.155 13.104 ( 0.000 -0.668 0.000) 0.668 13.104 ( 0.000 0.668 0.000) 0.668 13.383 ( 0.000 -1.861 0.000) 1.861 13.383 ( 0.000 1.861 0.000) 1.861 13.440 ( 0.000 -1.678 0.000) 1.678 13.440 ( 0.000 1.678 0.000) 1.678 13.570 ( 0.000 -1.563 0.000) 1.563 13.570 ( 0.000 1.563 0.000) 1.563 13.749 ( 0.000 -1.966 0.000) 1.966 13.749 ( 0.000 1.966 0.000) 1.966 13.898 ( 0.000 -0.306 0.000) 0.306 13.898 ( 0.000 0.306 0.000) 0.306 14.087 ( 0.000 -0.908 0.000) 0.908 14.087 ( 0.000 0.908 0.000) 0.908 14.139 ( 0.000 -2.612 0.000) 2.612 14.139 ( 0.000 2.612 0.000) 2.612 14.294 ( 0.000 -1.289 0.000) 1.289 14.294 ( 0.000 1.289 0.000) 1.289 14.333 ( 0.000 -2.718 0.000) 2.718 14.333 ( 0.000 2.718 0.000) 2.718 14.522 ( 0.000 -0.962 0.000) 0.962 14.522 ( 0.000 0.962 0.000) 0.962 14.699 ( 0.000 -2.337 0.000) 2.337 14.699 ( 0.000 2.337 0.000) 2.337 15.399 ( 0.000 -3.485 0.000) 3.485 15.399 ( 0.000 3.485 0.000) 3.485 15.583 ( 0.000 -2.232 0.000) 2.232 15.583 ( 0.000 2.232 0.000) 2.232 16.302 ( 0.000 -6.553 0.000) 6.553 16.302 ( 0.000 6.553 0.000) 6.553 16.429 ( 0.000 -1.937 0.000) 1.937 16.429 ( 0.000 1.937 0.000) 1.937 17.402 ( 0.000 -10.548 0.000) 10.548 17.402 ( 0.000 10.548 0.000) 10.548 19.253 ( 0.000 -2.989 0.000) 2.989 19.253 ( 0.000 2.989 0.000) 2.989 20.639 ( 0.000 -1.343 0.000) 1.343 20.639 ( 0.000 1.343 0.000) 1.343 ======================= Grid point 24 (14/90) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 32.234 -15.292 0.000) 35.677 1.266 ( 32.234 15.292 0.000) 35.677 1.821 ( 43.536 -23.031 0.000) 49.252 1.821 ( 43.536 23.031 0.000) 49.252 2.725 ( 9.762 -52.390 0.000) 53.291 2.725 ( 9.762 52.390 0.000) 53.292 2.976 ( 5.293 -7.909 0.000) 9.516 2.976 ( 5.293 7.909 0.000) 9.516 3.796 ( 13.958 -11.342 0.000) 17.985 3.796 ( 13.958 11.342 0.000) 17.985 4.302 ( -1.991 -0.430 0.000) 2.037 4.302 ( -1.991 0.430 0.000) 2.037 4.503 ( -1.309 -3.398 0.000) 3.641 4.503 ( -1.309 3.398 0.000) 3.641 5.057 ( 2.410 -4.375 0.000) 4.995 5.057 ( 2.410 4.376 0.000) 4.996 6.762 ( -1.138 -3.539 0.000) 3.717 6.762 ( -1.138 3.539 0.000) 3.717 6.919 ( -29.581 -1.908 0.000) 29.642 6.919 ( -29.581 1.908 0.000) 29.642 7.106 ( -5.935 -1.681 0.000) 6.168 7.106 ( -5.935 1.681 0.000) 6.168 7.429 ( -13.524 -3.918 0.000) 14.080 7.429 ( -13.525 3.918 0.000) 14.080 7.647 ( -7.197 -2.533 0.000) 7.629 7.647 ( -7.197 2.533 0.000) 7.629 7.850 ( -11.014 -0.301 0.000) 11.018 7.850 ( -11.014 0.301 0.000) 11.018 8.140 ( -11.444 -1.537 0.000) 11.547 8.140 ( -11.444 1.537 0.000) 11.547 9.805 ( 8.054 -0.552 0.000) 8.073 9.805 ( 8.054 0.552 0.000) 8.073 10.153 ( 6.203 -0.565 0.000) 6.229 10.153 ( 6.203 0.565 0.000) 6.229 10.433 ( -13.185 -0.683 0.000) 13.203 10.433 ( -13.185 0.683 0.000) 13.203 12.141 ( -0.385 -0.503 0.000) 0.634 12.141 ( -0.385 0.503 0.000) 0.634 12.399 ( 7.931 -2.034 0.000) 8.187 12.399 ( 7.931 2.034 0.000) 8.187 12.498 ( -1.772 -0.196 0.000) 1.783 12.498 ( -1.772 0.196 0.000) 1.783 12.687 ( -1.357 -0.985 0.000) 1.677 12.687 ( -1.357 0.985 0.000) 1.677 13.083 ( 1.178 -1.537 0.000) 1.936 13.083 ( 1.178 1.537 0.000) 1.936 13.103 ( -0.088 -0.595 0.000) 0.602 13.103 ( -0.088 0.595 0.000) 0.602 13.429 ( -1.035 -1.351 0.000) 1.703 13.429 ( -1.036 1.351 0.000) 1.703 13.476 ( 7.040 -3.071 0.000) 7.681 13.476 ( 7.040 3.071 0.000) 7.681 13.667 ( 4.026 -4.544 0.000) 6.071 13.667 ( 4.026 4.544 0.000) 6.071 13.715 ( -6.869 -0.841 0.000) 6.920 13.715 ( -6.869 0.841 0.000) 6.920 13.846 ( 2.222 -2.041 0.000) 3.017 13.846 ( 2.222 2.041 0.000) 3.017 14.160 ( 3.723 -1.151 0.000) 3.897 14.160 ( 3.723 1.151 0.000) 3.897 14.175 ( 2.161 -3.481 0.000) 4.098 14.175 ( 2.161 3.481 0.000) 4.098 14.289 ( 0.697 -2.493 0.000) 2.589 14.289 ( 0.697 2.493 0.000) 2.589 14.417 ( 7.926 -2.434 0.000) 8.292 14.417 ( 7.926 2.434 0.000) 8.292 14.554 ( 3.015 -1.211 0.000) 3.250 14.554 ( 3.015 1.211 0.000) 3.250 14.781 ( 7.294 -3.571 0.000) 8.122 14.781 ( 7.294 3.571 0.000) 8.122 15.430 ( 3.063 -3.473 0.000) 4.631 15.430 ( 3.063 3.473 0.000) 4.631 15.636 ( 5.504 -2.494 0.000) 6.042 15.636 ( 5.504 2.494 0.000) 6.042 16.309 ( -1.246 -5.367 0.000) 5.509 16.309 ( -1.246 5.367 0.000) 5.510 16.474 ( 5.538 -10.194 0.000) 11.601 16.474 ( 5.538 10.194 0.000) 11.601 17.447 ( 4.304 -9.348 0.000) 10.291 17.447 ( 4.304 9.348 0.000) 10.291 19.016 ( -22.488 -2.754 0.000) 22.656 19.016 ( -22.488 2.754 0.000) 22.657 20.109 ( -36.085 -16.366 0.000) 39.623 20.109 ( -36.085 16.366 0.000) 39.623 ======================= Grid point 26 (15/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 34.222 -12.885 0.000) 36.567 1.949 ( 34.222 12.885 0.000) 36.567 2.339 ( 11.973 -34.338 0.000) 36.365 2.339 ( 11.973 34.338 0.000) 36.365 3.146 ( 12.820 -8.542 0.000) 15.405 3.146 ( 12.820 8.542 0.000) 15.405 3.315 ( 42.363 -27.063 0.000) 50.270 3.315 ( 42.363 27.063 0.000) 50.270 4.130 ( 10.500 -6.309 0.000) 12.250 4.130 ( 10.500 6.309 0.000) 12.250 4.310 ( 14.809 -6.219 0.000) 16.062 4.310 ( 14.809 6.219 0.000) 16.062 4.466 ( -2.465 -2.448 0.000) 3.474 4.466 ( -2.465 2.448 0.000) 3.474 5.114 ( 2.943 -2.217 0.000) 3.685 5.114 ( 2.944 2.217 0.000) 3.685 6.392 ( -21.371 -2.344 0.000) 21.499 6.392 ( -21.371 2.344 0.000) 21.499 6.629 ( -14.294 -0.482 0.000) 14.303 6.629 ( -14.294 0.482 0.000) 14.303 7.020 ( -23.152 -2.884 0.000) 23.331 7.020 ( -23.152 2.884 0.000) 23.331 7.032 ( 0.395 -3.797 0.000) 3.818 7.032 ( 0.395 3.797 0.000) 3.818 7.578 ( -15.564 -0.200 0.000) 15.565 7.578 ( -15.564 0.200 0.000) 15.565 7.658 ( 3.470 -5.125 0.000) 6.189 7.658 ( 3.470 5.125 0.000) 6.189 7.917 ( -11.547 -0.329 0.000) 11.552 7.917 ( -11.547 0.329 0.000) 11.552 10.000 ( 10.992 -0.625 0.000) 11.009 10.000 ( 10.992 0.625 0.000) 11.009 10.046 ( -25.418 -0.814 0.000) 25.431 10.046 ( -25.418 0.814 0.000) 25.431 10.317 ( 9.172 -0.461 0.000) 9.183 10.317 ( 9.172 0.461 0.000) 9.183 12.131 ( -0.602 -0.414 0.000) 0.731 12.131 ( -0.602 0.414 0.000) 0.731 12.439 ( -4.385 -0.202 0.000) 4.390 12.439 ( -4.385 0.202 0.000) 4.390 12.586 ( 10.552 -3.110 0.000) 11.000 12.586 ( 10.552 3.110 0.000) 11.000 12.651 ( -2.174 -0.851 0.000) 2.335 12.651 ( -2.174 0.851 0.000) 2.335 13.071 ( -2.088 -1.837 0.000) 2.782 13.071 ( -2.088 1.837 0.000) 2.782 13.100 ( -0.125 -0.493 0.000) 0.509 13.100 ( -0.125 0.493 0.000) 0.509 13.404 ( -1.373 -1.187 0.000) 1.816 13.404 ( -1.373 1.188 0.000) 1.816 13.568 ( -6.381 -1.249 0.000) 6.503 13.568 ( -6.381 1.249 0.000) 6.503 13.616 ( 4.371 -2.872 0.000) 5.230 13.616 ( 4.371 2.872 0.000) 5.230 13.656 ( -1.640 -2.869 0.000) 3.304 13.656 ( -1.640 2.869 0.000) 3.304 13.949 ( 6.575 -1.849 0.000) 6.830 13.949 ( 6.575 1.849 0.000) 6.830 14.168 ( -2.346 -2.811 0.000) 3.661 14.168 ( -2.346 2.811 0.000) 3.661 14.215 ( 2.312 -0.981 0.000) 2.512 14.215 ( 2.312 0.981 0.000) 2.512 14.313 ( 0.396 -4.414 0.000) 4.432 14.313 ( 0.396 4.414 0.000) 4.432 14.595 ( 9.244 -1.782 0.000) 9.414 14.595 ( 9.244 1.782 0.000) 9.414 14.643 ( 6.057 -2.663 0.000) 6.617 14.643 ( 6.057 2.663 0.000) 6.617 14.926 ( 6.465 -3.191 0.000) 7.210 14.926 ( 6.465 3.191 0.000) 7.210 15.512 ( 5.035 -3.438 0.000) 6.097 15.512 ( 5.035 3.438 0.000) 6.097 15.789 ( 9.162 -3.478 0.000) 9.800 15.789 ( 9.162 3.478 0.000) 9.800 16.254 ( -3.227 -5.071 0.000) 6.011 16.254 ( -3.227 5.071 0.000) 6.011 16.625 ( 9.164 -14.390 0.000) 17.060 16.625 ( 9.164 14.390 0.000) 17.061 17.556 ( 6.446 -7.067 0.000) 9.565 17.556 ( 6.446 7.067 0.000) 9.565 18.512 ( -25.513 -2.288 0.000) 25.615 18.512 ( -25.513 2.288 0.000) 25.615 19.518 ( -25.426 -16.432 0.000) 30.273 19.518 ( -25.426 16.432 0.000) 30.273 ======================= Grid point 28 (16/90) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 21.498 -11.255 0.000) 24.266 2.511 ( 21.498 11.255 0.000) 24.266 2.592 ( 16.280 -22.779 0.000) 27.999 2.592 ( 16.280 22.779 0.000) 27.999 3.517 ( 25.457 -7.357 0.000) 26.499 3.517 ( 25.457 7.357 0.000) 26.499 3.936 ( 16.456 -11.592 0.000) 20.128 3.936 ( 16.456 11.592 0.000) 20.128 4.084 ( -2.246 -4.025 0.000) 4.610 4.084 ( -2.246 4.025 0.000) 4.610 4.412 ( -2.828 -1.153 0.000) 3.054 4.412 ( -2.829 1.153 0.000) 3.054 5.010 ( 26.296 -5.097 0.000) 26.786 5.010 ( 26.296 5.097 0.000) 26.786 5.208 ( 21.344 -6.575 0.000) 22.333 5.208 ( 21.344 6.575 0.000) 22.334 6.078 ( -10.236 -1.280 0.000) 10.316 6.078 ( -10.236 1.280 0.000) 10.316 6.233 ( -24.735 -0.582 0.000) 24.742 6.233 ( -24.735 0.582 0.000) 24.742 6.621 ( -15.057 -4.918 0.000) 15.839 6.621 ( -15.057 4.918 0.000) 15.839 7.091 ( 4.268 -3.154 0.000) 5.307 7.091 ( 4.268 3.154 0.000) 5.307 7.279 ( -13.962 -0.175 0.000) 13.964 7.279 ( -13.962 0.175 0.000) 13.964 7.654 ( -8.200 -1.090 0.000) 8.272 7.654 ( -8.200 1.090 0.000) 8.272 7.777 ( 1.747 -4.191 0.000) 4.540 7.777 ( 1.747 4.191 0.000) 4.540 9.436 ( -36.382 -0.632 0.000) 36.387 9.436 ( -36.382 0.632 0.000) 36.387 10.209 ( 9.709 -0.694 0.000) 9.734 10.209 ( 9.709 0.694 0.000) 9.734 10.498 ( 8.641 -0.355 0.000) 8.648 10.498 ( 8.641 0.355 0.000) 8.648 12.119 ( -0.597 -0.298 0.000) 0.668 12.119 ( -0.597 0.298 0.000) 0.668 12.333 ( -6.007 -0.279 0.000) 6.013 12.333 ( -6.007 0.279 0.000) 6.013 12.607 ( -2.195 -0.712 0.000) 2.308 12.607 ( -2.195 0.712 0.000) 2.308 12.790 ( 9.637 -3.152 0.000) 10.139 12.790 ( 9.637 3.152 0.000) 10.139 13.017 ( -2.961 -1.526 0.000) 3.331 13.017 ( -2.961 1.526 0.000) 3.331 13.099 ( -0.015 -0.444 0.000) 0.444 13.099 ( -0.015 0.444 0.000) 0.444 13.378 ( -1.168 -1.375 0.000) 1.804 13.378 ( -1.168 1.375 0.000) 1.804 13.481 ( -2.713 -1.700 0.000) 3.201 13.481 ( -2.713 1.700 0.000) 3.201 13.544 ( -5.182 -2.906 0.000) 5.941 13.544 ( -5.182 2.906 0.000) 5.941 13.728 ( 3.100 -2.965 0.000) 4.290 13.728 ( 3.100 2.965 0.000) 4.290 14.074 ( 5.645 -1.529 0.000) 5.849 14.074 ( 5.645 1.529 0.000) 5.849 14.103 ( -3.905 -2.420 0.000) 4.594 14.103 ( -3.905 2.420 0.000) 4.594 14.259 ( 2.202 -0.805 0.000) 2.345 14.259 ( 2.202 0.805 0.000) 2.345 14.299 ( -1.425 -4.191 0.000) 4.426 14.299 ( -1.425 4.191 0.000) 4.427 14.758 ( 7.011 -1.453 0.000) 7.160 14.758 ( 7.011 1.453 0.000) 7.160 14.774 ( 6.555 -3.303 0.000) 7.340 14.774 ( 6.555 3.303 0.000) 7.340 15.020 ( 3.172 -1.385 0.000) 3.462 15.020 ( 3.172 1.385 0.000) 3.462 15.615 ( 5.133 -3.383 0.000) 6.147 15.615 ( 5.133 3.384 0.000) 6.147 15.925 ( 2.806 -2.601 0.000) 3.826 15.925 ( 2.807 2.601 0.000) 3.826 16.241 ( 3.297 -1.750 0.000) 3.733 16.241 ( 3.298 1.750 0.000) 3.733 16.833 ( 12.340 -12.328 0.000) 17.443 16.833 ( 12.340 12.328 0.000) 17.443 17.687 ( 6.478 -5.120 0.000) 8.257 17.687 ( 6.478 5.120 0.000) 8.257 18.079 ( -17.948 -5.146 0.000) 18.671 18.079 ( -17.948 5.146 0.000) 18.671 19.055 ( -22.388 -11.839 0.000) 25.325 19.055 ( -22.388 11.839 0.000) 25.325 ======================= Grid point 30 (17/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 8.572 -8.334 0.000) 11.955 2.795 ( 8.572 8.334 0.000) 11.955 2.977 ( 21.861 -6.019 0.000) 22.675 2.977 ( 21.861 6.019 0.000) 22.675 3.812 ( -14.439 -8.137 0.000) 16.574 3.812 ( -14.439 8.137 0.000) 16.574 4.083 ( 27.896 -3.805 0.000) 28.155 4.083 ( 27.896 3.805 0.000) 28.155 4.351 ( 16.658 -18.217 0.000) 24.686 4.351 ( 16.658 18.217 0.000) 24.686 4.377 ( 1.204 -0.682 0.000) 1.384 4.377 ( 1.204 0.682 0.000) 1.384 4.972 ( -11.508 -11.186 0.000) 16.049 4.972 ( -11.508 11.186 0.000) 16.049 5.686 ( 2.302 -9.258 0.000) 9.540 5.686 ( 2.302 9.258 0.000) 9.540 5.702 ( -27.980 -1.357 0.000) 28.013 5.702 ( -27.980 1.357 0.000) 28.013 6.153 ( 8.784 -5.535 0.000) 10.383 6.153 ( 8.785 5.536 0.000) 10.383 6.665 ( 32.414 -1.542 0.000) 32.451 6.665 ( 32.414 1.542 0.000) 32.450 7.054 ( -8.077 -0.192 0.000) 8.079 7.054 ( -8.077 0.192 0.000) 8.079 7.172 ( 3.096 -1.651 0.000) 3.509 7.172 ( 3.096 1.651 0.000) 3.509 7.495 ( -6.120 -0.254 0.000) 6.125 7.495 ( -6.120 0.254 0.000) 6.125 7.833 ( 2.104 -4.663 0.000) 5.115 7.833 ( 2.104 4.663 0.000) 5.115 8.637 ( -44.238 -1.251 0.000) 44.256 8.637 ( -44.238 1.251 0.000) 44.256 10.363 ( 5.651 -0.719 0.000) 5.697 10.363 ( 5.651 0.719 0.000) 5.697 10.636 ( 5.079 -0.300 0.000) 5.088 10.636 ( 5.079 0.300 0.000) 5.088 12.109 ( -0.383 -0.193 0.000) 0.429 12.109 ( -0.383 0.193 0.000) 0.429 12.226 ( -4.302 -0.353 0.000) 4.317 12.226 ( -4.302 0.353 0.000) 4.317 12.570 ( -1.398 -0.614 0.000) 1.527 12.570 ( -1.398 0.614 0.000) 1.527 12.928 ( 2.213 -1.669 0.000) 2.771 12.928 ( 2.213 1.669 0.000) 2.771 12.987 ( 1.848 -1.408 0.000) 2.323 12.987 ( 1.848 1.408 0.000) 2.323 13.099 ( 0.056 -0.326 0.000) 0.331 13.099 ( 0.056 0.326 0.000) 0.331 13.361 ( -0.548 -1.591 0.000) 1.683 13.361 ( -0.548 1.591 0.000) 1.683 13.449 ( -0.794 -1.905 0.000) 2.063 13.449 ( -0.794 1.905 0.000) 2.063 13.457 ( -3.358 -2.399 0.000) 4.127 13.457 ( -3.358 2.399 0.000) 4.127 13.762 ( 0.717 -2.028 0.000) 2.151 13.762 ( 0.717 2.028 0.000) 2.151 14.029 ( -3.259 -2.328 0.000) 4.005 14.029 ( -3.259 2.328 0.000) 4.005 14.158 ( 2.810 -1.089 0.000) 3.013 14.158 ( 2.810 1.089 0.000) 3.013 14.271 ( -1.174 -3.107 0.000) 3.322 14.271 ( -1.174 3.107 0.000) 3.322 14.299 ( 1.718 -0.442 0.000) 1.774 14.299 ( 1.718 0.442 0.000) 1.774 14.864 ( 3.695 -1.309 0.000) 3.920 14.864 ( 3.695 1.310 0.000) 3.920 14.875 ( 3.409 -2.970 0.000) 4.521 14.875 ( 3.409 2.970 0.000) 4.521 15.058 ( 0.972 -0.396 0.000) 1.050 15.058 ( 0.972 0.396 0.000) 1.050 15.700 ( 3.220 -3.326 0.000) 4.630 15.700 ( 3.220 3.326 0.000) 4.630 15.920 ( -1.453 -6.933 0.000) 7.083 15.920 ( -1.453 6.933 0.000) 7.084 16.339 ( 4.546 -2.364 0.000) 5.124 16.339 ( 4.546 2.364 0.000) 5.124 17.102 ( 13.915 -5.805 0.000) 15.078 17.102 ( 13.915 5.805 0.000) 15.078 17.726 ( -6.887 -2.047 0.000) 7.185 17.726 ( -6.887 2.047 0.000) 7.184 17.892 ( 3.049 -3.583 0.000) 4.705 17.892 ( 3.049 3.584 0.000) 4.706 18.643 ( -18.812 -7.136 0.000) 20.120 18.643 ( -18.812 7.136 0.000) 20.120 ======================= Grid point 32 (18/90) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 0.000 -7.321 0.000) 7.321 2.876 ( 0.000 7.321 0.000) 7.321 3.326 ( 0.000 -7.286 0.000) 7.286 3.326 ( 0.000 7.286 0.000) 7.286 3.543 ( 0.000 -3.157 0.000) 3.157 3.543 ( -0.000 3.157 0.000) 3.157 4.288 ( 0.000 -1.670 0.000) 1.670 4.288 ( 0.000 1.670 0.000) 1.670 4.575 ( 0.000 -0.703 0.000) 0.703 4.575 ( -0.000 0.703 0.000) 0.703 4.635 ( -0.000 -14.354 0.000) 14.354 4.635 ( 0.000 14.354 0.000) 14.354 4.722 ( 0.000 -13.806 0.000) 13.806 4.722 ( -0.000 13.806 0.000) 13.806 5.313 ( 0.000 -2.765 0.000) 2.765 5.313 ( 0.000 2.765 0.000) 2.765 5.678 ( 0.000 -4.877 0.000) 4.877 5.678 ( 0.000 4.878 0.000) 4.878 6.185 ( 0.000 -9.594 0.000) 9.594 6.185 ( 0.000 9.595 0.000) 9.595 6.973 ( 0.000 -0.215 0.000) 0.215 6.973 ( -0.000 0.215 0.000) 0.215 7.204 ( 0.000 -0.406 0.000) 0.406 7.204 ( -0.000 0.406 0.000) 0.406 7.370 ( 0.000 -0.603 0.000) 0.603 7.370 ( -0.000 0.603 0.000) 0.603 7.505 ( 0.000 -0.412 0.000) 0.412 7.505 ( 0.000 0.412 0.000) 0.412 7.723 ( -0.000 -0.376 0.000) 0.376 7.723 ( 0.000 0.376 0.000) 0.376 7.974 ( 0.000 -7.676 0.000) 7.676 7.974 ( -0.000 7.676 0.000) 7.676 10.420 ( 0.000 -0.722 0.000) 0.722 10.420 ( 0.000 0.722 0.000) 0.722 10.687 ( -0.000 -0.290 0.000) 0.290 10.687 ( 0.000 0.290 0.000) 0.290 12.105 ( 0.000 -0.147 0.000) 0.147 12.105 ( 0.000 0.147 0.000) 0.147 12.181 ( 0.000 -0.376 0.000) 0.376 12.181 ( 0.000 0.376 0.000) 0.376 12.556 ( 0.000 -0.579 0.000) 0.579 12.556 ( 0.000 0.579 0.000) 0.579 12.927 ( 0.000 -0.130 0.000) 0.130 12.927 ( 0.000 0.130 0.000) 0.130 13.029 ( 0.000 -1.690 0.000) 1.690 13.029 ( 0.000 1.690 0.000) 1.690 13.100 ( 0.000 -0.250 0.000) 0.250 13.100 ( 0.000 0.250 0.000) 0.250 13.356 ( 0.000 -1.688 0.000) 1.688 13.356 ( 0.000 1.689 0.000) 1.689 13.423 ( 0.000 -1.718 0.000) 1.718 13.423 ( 0.000 1.718 0.000) 1.718 13.442 ( 0.000 -1.960 0.000) 1.960 13.442 ( 0.000 1.960 0.000) 1.960 13.767 ( 0.000 -1.650 0.000) 1.650 13.767 ( -0.000 1.650 0.000) 1.650 13.994 ( 0.000 -2.253 0.000) 2.253 13.994 ( -0.000 2.253 0.000) 2.253 14.185 ( 0.000 -0.823 0.000) 0.823 14.185 ( 0.000 0.823 0.000) 0.823 14.259 ( -0.000 -2.402 0.000) 2.402 14.259 ( 0.000 2.402 0.000) 2.402 14.318 ( 0.000 -0.195 0.000) 0.195 14.318 ( 0.000 0.195 0.000) 0.195 14.900 ( 0.000 -1.268 0.000) 1.268 14.900 ( 0.000 1.268 0.000) 1.268 14.907 ( 0.000 -2.475 0.000) 2.475 14.907 ( 0.000 2.475 0.000) 2.475 15.067 ( 0.000 -0.426 0.000) 0.426 15.067 ( 0.000 0.426 0.000) 0.426 15.733 ( 0.000 -3.301 0.000) 3.301 15.733 ( 0.000 3.301 0.000) 3.301 15.904 ( 0.000 -7.029 0.000) 7.029 15.904 ( 0.000 7.030 0.000) 7.030 16.385 ( -0.000 -1.473 0.000) 1.473 16.385 ( 0.000 1.473 0.000) 1.473 17.278 ( 0.000 -2.836 0.000) 2.836 17.278 ( 0.000 2.837 0.000) 2.837 17.614 ( 0.000 -2.836 0.000) 2.836 17.614 ( 0.000 2.836 0.000) 2.836 17.978 ( 0.000 -8.109 0.000) 8.109 17.978 ( -0.000 8.109 0.000) 8.109 18.413 ( -0.000 -2.148 0.000) 2.148 18.413 ( 0.000 2.148 0.000) 2.148 ======================= Grid point 55 (19/90) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 0.000 0.000 22.725) 22.725 0.928 ( 0.000 0.000 43.486) 43.486 1.545 ( 0.000 0.000 67.421) 67.421 2.170 ( 0.000 0.000 24.930) 24.930 2.216 ( 0.000 0.000 63.353) 63.353 2.780 ( 0.000 0.000 6.761) 6.761 3.342 ( 0.000 0.000 2.172) 2.172 3.481 ( 0.000 0.000 17.034) 17.034 3.862 ( 0.000 0.000 -1.850) 1.850 3.899 ( 0.000 0.000 -5.138) 5.138 4.287 ( 0.000 0.000 -2.147) 2.147 4.424 ( 0.000 0.000 0.051) 0.051 4.510 ( 0.000 0.000 -4.693) 4.693 4.583 ( 0.000 0.000 -3.391) 3.391 4.782 ( 0.000 0.000 -12.310) 12.310 5.198 ( 0.000 0.000 2.907) 2.907 6.512 ( 0.000 0.000 -8.429) 8.429 6.523 ( 0.000 0.000 -23.278) 23.278 6.543 ( 0.000 0.000 -7.476) 7.476 6.736 ( 0.000 0.000 -17.385) 17.385 7.255 ( 0.000 0.000 11.098) 11.098 7.263 ( 0.000 0.000 9.901) 9.901 7.294 ( 0.000 0.000 -33.399) 33.399 7.352 ( 0.000 0.000 -30.231) 30.231 7.497 ( 0.000 0.000 -1.125) 1.125 7.615 ( 0.000 0.000 9.086) 9.086 7.625 ( 0.000 0.000 -1.030) 1.030 7.726 ( 0.000 0.000 6.945) 6.945 8.725 ( 0.000 0.000 27.406) 27.406 8.726 ( 0.000 0.000 27.239) 27.239 9.449 ( 0.000 0.000 -21.266) 21.266 9.458 ( 0.000 0.000 -22.318) 22.318 10.069 ( 0.000 0.000 -3.136) 3.136 10.079 ( 0.000 0.000 -4.400) 4.400 10.502 ( 0.000 0.000 -4.175) 4.175 10.535 ( 0.000 0.000 -3.719) 3.719 12.202 ( 0.000 0.000 6.428) 6.428 12.255 ( 0.000 0.000 7.762) 7.762 12.277 ( 0.000 0.000 1.036) 1.036 12.343 ( 0.000 0.000 0.216) 0.216 12.496 ( 0.000 0.000 -1.607) 1.607 12.522 ( 0.000 0.000 -0.872) 0.872 12.704 ( 0.000 0.000 2.869) 2.869 12.762 ( 0.000 0.000 3.115) 3.115 13.019 ( 0.000 0.000 -0.395) 0.395 13.042 ( 0.000 0.000 -1.196) 1.196 13.241 ( 0.000 0.000 5.957) 5.957 13.278 ( 0.000 0.000 -0.030) 0.030 13.302 ( 0.000 0.000 0.954) 0.954 13.420 ( 0.000 0.000 1.933) 1.933 13.432 ( 0.000 0.000 0.690) 0.690 13.485 ( 0.000 0.000 -3.001) 3.001 13.491 ( 0.000 0.000 0.552) 0.552 13.580 ( 0.000 0.000 -0.355) 0.355 13.742 ( 0.000 0.000 3.196) 3.196 13.807 ( 0.000 0.000 -2.870) 2.870 13.842 ( 0.000 0.000 0.239) 0.239 13.855 ( 0.000 0.000 -3.745) 3.745 13.917 ( 0.000 0.000 -6.087) 6.087 13.978 ( 0.000 0.000 -10.540) 10.540 14.242 ( 0.000 0.000 -0.336) 0.336 14.266 ( 0.000 0.000 10.038) 10.038 14.342 ( 0.000 0.000 -0.249) 0.249 14.401 ( 0.000 0.000 5.383) 5.383 14.467 ( 0.000 0.000 -1.620) 1.620 14.543 ( 0.000 0.000 -1.522) 1.522 14.596 ( 0.000 0.000 3.586) 3.586 14.629 ( 0.000 0.000 5.232) 5.232 14.788 ( 0.000 0.000 5.408) 5.408 15.214 ( 0.000 0.000 -2.180) 2.180 15.267 ( 0.000 0.000 -2.833) 2.833 15.505 ( 0.000 0.000 1.310) 1.310 15.523 ( 0.000 0.000 -0.717) 0.717 15.576 ( 0.000 0.000 -3.056) 3.056 16.236 ( 0.000 0.000 8.127) 8.127 16.328 ( 0.000 0.000 -8.084) 8.084 16.345 ( 0.000 0.000 -5.306) 5.306 16.877 ( 0.000 0.000 18.855) 18.855 16.987 ( 0.000 0.000 -0.571) 0.571 17.697 ( 0.000 0.000 6.267) 6.267 18.810 ( 0.000 0.000 -9.421) 9.421 19.000 ( 0.000 0.000 -28.038) 28.038 19.089 ( 0.000 0.000 -7.927) 7.927 20.346 ( 0.000 0.000 -21.399) 21.399 ======================= Grid point 56 (20/90) ======================= q-point: ( 0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 23.954 0.000 17.610) 29.731 1.238 ( 27.149 0.000 29.329) 39.965 2.057 ( 40.151 0.000 43.358) 59.093 2.216 ( 21.106 0.000 37.789) 43.284 2.777 ( 0.287 0.000 4.380) 4.389 2.856 ( 46.249 0.000 38.072) 59.904 3.328 ( -3.094 0.000 -1.188) 3.314 3.389 ( -0.861 0.000 18.623) 18.643 3.937 ( 4.870 0.000 -0.253) 4.877 4.047 ( 12.267 0.000 -2.149) 12.454 4.301 ( 2.430 0.000 -0.916) 2.597 4.450 ( 2.204 0.000 1.799) 2.844 4.451 ( -4.720 0.000 -4.579) 6.577 4.584 ( -0.262 0.000 -1.329) 1.355 4.830 ( 4.777 0.000 -11.649) 12.590 5.204 ( 0.354 0.000 2.702) 2.725 6.360 ( -15.090 0.000 -17.735) 23.286 6.461 ( -5.179 0.000 -7.578) 9.178 6.593 ( 3.480 0.000 -8.908) 9.563 6.715 ( 0.284 0.000 -13.956) 13.959 7.156 ( -9.391 0.000 10.086) 13.781 7.178 ( -8.904 0.000 10.039) 13.418 7.187 ( -10.539 0.000 -25.583) 27.669 7.284 ( -6.403 0.000 -29.504) 30.191 7.372 ( -12.959 0.000 -2.502) 13.199 7.494 ( -11.490 0.000 -3.673) 12.062 7.614 ( 0.032 0.000 8.228) 8.228 7.751 ( 2.137 0.000 4.226) 4.736 8.580 ( -13.600 0.000 24.461) 27.988 8.585 ( -13.329 0.000 24.565) 27.949 9.537 ( 8.387 0.000 -21.318) 22.908 9.548 ( 8.622 0.000 -22.257) 23.869 10.140 ( 6.581 0.000 -2.694) 7.111 10.156 ( 6.964 0.000 -2.879) 7.535 10.377 ( -12.683 0.000 -3.352) 13.118 10.414 ( -12.379 0.000 -3.229) 12.793 12.162 ( -2.132 0.000 2.825) 3.539 12.200 ( -2.870 0.000 3.625) 4.623 12.371 ( 7.664 0.000 3.479) 8.416 12.474 ( 9.506 0.000 2.882) 9.933 12.481 ( -1.776 0.000 -1.635) 2.414 12.502 ( -2.074 0.000 -0.779) 2.215 12.694 ( -0.795 0.000 3.084) 3.185 12.750 ( -0.998 0.000 3.430) 3.572 13.020 ( 0.494 0.000 -0.224) 0.542 13.074 ( 1.319 0.000 -2.641) 2.952 13.212 ( -2.502 0.000 3.545) 4.339 13.218 ( -4.086 0.000 5.458) 6.818 13.347 ( 5.756 0.000 -0.200) 5.759 13.412 ( -0.869 0.000 1.528) 1.758 13.484 ( 0.343 0.000 1.756) 1.790 13.512 ( 0.803 0.000 -5.563) 5.620 13.537 ( 9.248 0.000 1.143) 9.319 13.631 ( -3.412 0.000 -7.640) 8.367 13.707 ( -6.241 0.000 -2.714) 6.806 13.737 ( -2.711 0.000 1.384) 3.044 13.795 ( 4.832 0.000 2.238) 5.325 13.882 ( 3.823 0.000 -0.304) 3.835 14.045 ( 6.495 0.000 -6.029) 8.861 14.070 ( 6.588 0.000 -5.817) 8.789 14.219 ( -2.183 0.000 -0.012) 2.183 14.275 ( 0.857 0.000 8.622) 8.665 14.324 ( -1.788 0.000 0.106) 1.791 14.436 ( 0.754 0.000 1.703) 1.862 14.486 ( 2.124 0.000 -1.541) 2.624 14.523 ( 0.026 0.000 8.787) 8.787 14.578 ( 3.723 0.000 -2.050) 4.250 14.638 ( 1.104 0.000 5.812) 5.916 14.813 ( 2.635 0.000 4.019) 4.806 15.145 ( -3.431 0.000 5.311) 6.323 15.301 ( 3.266 0.000 -2.784) 4.292 15.533 ( 3.200 0.000 1.212) 3.422 15.572 ( 4.590 0.000 -1.611) 4.864 15.680 ( 10.673 0.000 -2.946) 11.072 16.171 ( -9.668 0.000 -5.529) 11.137 16.253 ( 1.546 0.000 7.027) 7.196 16.395 ( 0.483 0.000 -4.711) 4.736 17.023 ( 3.532 0.000 -0.649) 3.592 17.076 ( 12.187 0.000 6.848) 13.980 17.714 ( 1.705 0.000 5.782) 6.028 18.732 ( -7.879 0.000 -9.236) 12.140 18.768 ( -20.386 0.000 -22.128) 30.088 19.031 ( -6.990 0.000 -8.991) 11.389 20.151 ( -18.261 0.000 -18.016) 25.653 ======================= Grid point 57 (21/90) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 36.226 0.000 14.116) 38.879 1.821 ( 29.323 0.000 14.203) 32.581 2.700 ( 34.129 0.000 25.660) 42.700 2.807 ( 2.733 0.000 0.151) 2.738 2.987 ( 40.038 0.000 18.223) 43.990 3.208 ( -7.578 0.000 -3.822) 8.487 3.488 ( 12.000 0.000 15.122) 19.305 3.863 ( 48.062 0.000 22.493) 53.065 4.032 ( 0.127 0.000 1.536) 1.541 4.211 ( 6.792 0.000 -1.573) 6.972 4.416 ( 4.078 0.000 -1.470) 4.335 4.432 ( 4.624 0.000 1.006) 4.732 4.574 ( 0.100 0.000 2.711) 2.713 4.627 ( 24.571 0.000 11.407) 27.090 4.968 ( 9.950 0.000 -8.623) 13.166 5.190 ( -2.766 0.000 2.268) 3.577 6.049 ( -12.779 0.000 -8.704) 15.462 6.312 ( -9.844 0.000 -4.546) 10.843 6.658 ( 0.335 0.000 -2.037) 2.064 6.708 ( -5.976 0.000 -0.322) 5.985 6.900 ( -18.380 0.000 -9.296) 20.598 6.917 ( -12.372 0.000 3.580) 12.880 6.970 ( -7.447 0.000 -1.923) 7.691 7.016 ( -19.806 0.000 -2.788) 20.001 7.139 ( -8.290 0.000 -25.739) 27.041 7.252 ( -12.087 0.000 -12.417) 17.328 7.618 ( 0.283 0.000 4.494) 4.502 7.796 ( 2.180 0.000 0.120) 2.183 8.243 ( -19.598 0.000 18.242) 26.774 8.252 ( -19.460 0.000 18.502) 26.852 9.749 ( 12.515 0.000 -20.206) 23.768 9.766 ( 12.828 0.000 -20.929) 24.547 10.013 ( -24.174 0.000 -1.289) 24.208 10.051 ( -24.441 0.000 -1.567) 24.491 10.293 ( 8.306 0.000 -2.879) 8.791 10.313 ( 8.275 0.000 -2.641) 8.686 12.130 ( -1.223 0.000 0.955) 1.551 12.157 ( -1.638 0.000 1.419) 2.167 12.419 ( -4.553 0.000 -1.628) 4.835 12.437 ( -4.580 0.000 -1.020) 4.692 12.544 ( 9.109 0.000 3.370) 9.712 12.621 ( 2.405 0.000 0.568) 2.471 12.691 ( 0.535 0.000 3.626) 3.665 12.765 ( 5.537 0.000 5.896) 8.088 13.027 ( -0.087 0.000 0.508) 0.515 13.074 ( -0.818 0.000 -1.312) 1.546 13.154 ( -2.212 0.000 2.770) 3.546 13.182 ( -1.313 0.000 4.499) 4.686 13.383 ( -1.730 0.000 0.989) 1.993 13.413 ( 0.179 0.000 -0.858) 0.876 13.442 ( -6.235 0.000 -6.117) 8.734 13.516 ( -4.584 0.000 -4.638) 6.521 13.566 ( 7.430 0.000 3.712) 8.306 13.633 ( -2.638 0.000 1.268) 2.927 13.721 ( -1.201 0.000 2.353) 2.642 13.726 ( 8.293 0.000 2.415) 8.638 13.907 ( 6.059 0.000 0.207) 6.063 13.978 ( 5.355 0.000 -2.099) 5.751 14.133 ( 2.734 0.000 -2.969) 4.036 14.164 ( -3.005 0.000 0.999) 3.167 14.177 ( 3.617 0.000 -2.205) 4.236 14.275 ( -3.029 0.000 1.022) 3.197 14.284 ( 0.172 0.000 5.653) 5.656 14.441 ( 0.258 0.000 1.260) 1.287 14.558 ( 5.232 0.000 -1.448) 5.429 14.610 ( 5.792 0.000 2.750) 6.412 14.687 ( 7.085 0.000 -3.311) 7.821 14.694 ( 5.158 0.000 3.675) 6.334 14.888 ( 4.606 0.000 2.033) 5.035 15.098 ( -1.664 0.000 4.757) 5.040 15.389 ( 5.524 0.000 -2.471) 6.051 15.622 ( 5.618 0.000 2.004) 5.965 15.706 ( 9.179 0.000 -2.474) 9.506 15.979 ( -9.555 0.000 -4.437) 10.535 15.988 ( 20.453 0.000 -4.916) 21.036 16.287 ( 0.978 0.000 4.989) 5.084 16.357 ( -3.318 0.000 -1.251) 3.546 17.118 ( 5.844 0.000 -0.870) 5.909 17.287 ( 9.772 0.000 2.393) 10.061 17.761 ( 2.988 0.000 4.395) 5.314 18.302 ( -24.776 0.000 -14.574) 28.744 18.510 ( -14.378 0.000 -8.716) 16.813 18.836 ( -11.970 0.000 -6.662) 13.699 19.711 ( -24.914 0.000 -12.481) 27.866 ======================= Grid point 58 (22/90) ======================= q-point: ( 0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 43.341 0.000 11.115) 44.744 2.312 ( 19.745 0.000 4.389) 20.227 2.875 ( 3.810 0.000 -3.546) 5.205 3.092 ( -3.291 0.000 -3.479) 4.789 3.420 ( 37.657 0.000 18.880) 42.124 3.580 ( 20.846 0.000 1.997) 20.941 3.816 ( 21.479 0.000 12.473) 24.838 3.909 ( -10.000 0.000 -0.473) 10.012 4.155 ( 1.120 0.000 -2.424) 2.670 4.459 ( -2.466 0.000 1.452) 2.862 4.465 ( 1.580 0.000 3.982) 4.284 4.731 ( 14.905 0.000 6.616) 16.307 4.854 ( 32.196 0.000 10.530) 33.875 5.040 ( -13.617 0.000 2.235) 13.799 5.047 ( 10.735 0.000 -2.862) 11.110 5.509 ( 48.067 0.000 11.747) 49.482 6.011 ( 13.158 0.000 0.856) 13.186 6.091 ( -11.825 0.000 -0.119) 11.826 6.374 ( -22.567 0.000 13.156) 26.122 6.393 ( -23.265 0.000 13.159) 26.729 6.494 ( -20.984 0.000 0.925) 21.004 6.692 ( -12.366 0.000 -2.518) 12.620 6.897 ( 6.538 0.000 -9.795) 11.776 6.986 ( 4.952 0.000 -13.887) 14.744 6.997 ( -5.672 0.000 -19.251) 20.069 7.049 ( -8.020 0.000 -14.693) 16.740 7.619 ( -0.312 0.000 -1.411) 1.445 7.833 ( 1.493 0.000 -4.316) 4.567 7.853 ( -19.275 0.000 10.219) 21.816 7.862 ( -19.482 0.000 10.789) 22.270 9.437 ( -34.465 0.000 1.469) 34.496 9.466 ( -34.775 0.000 1.162) 34.794 10.000 ( 12.357 0.000 -17.116) 21.110 10.022 ( 12.583 0.000 -17.896) 21.877 10.441 ( 6.289 0.000 -5.287) 8.216 10.457 ( 5.974 0.000 -5.125) 7.871 12.112 ( -0.701 0.000 0.145) 0.716 12.132 ( -1.022 0.000 0.522) 1.148 12.313 ( -5.820 0.000 -1.222) 5.947 12.332 ( -5.682 0.000 -0.828) 5.742 12.605 ( -1.300 0.000 1.654) 2.104 12.637 ( -0.957 0.000 1.459) 1.745 12.778 ( 8.935 0.000 5.474) 10.478 12.927 ( 8.431 0.000 4.378) 9.500 13.004 ( -2.270 0.000 1.545) 2.746 13.054 ( -1.673 0.000 0.412) 1.723 13.129 ( -0.511 0.000 1.645) 1.723 13.148 ( -1.247 0.000 4.195) 4.377 13.347 ( -1.751 0.000 0.462) 1.811 13.364 ( -1.318 0.000 -2.374) 2.715 13.403 ( -0.800 0.000 -0.692) 1.058 13.462 ( -1.048 0.000 -2.419) 2.636 13.566 ( -4.111 0.000 3.914) 5.676 13.675 ( -3.400 0.000 3.579) 4.936 13.697 ( 5.181 0.000 4.139) 6.632 13.832 ( 2.772 0.000 3.508) 4.471 14.005 ( 2.263 0.000 -2.549) 3.408 14.039 ( 0.146 0.000 -3.002) 3.005 14.151 ( 3.101 0.000 1.784) 3.578 14.152 ( -0.371 0.000 -0.884) 0.959 14.220 ( -1.889 0.000 2.563) 3.184 14.226 ( 1.951 0.000 0.108) 1.954 14.301 ( 1.461 0.000 2.860) 3.211 14.407 ( -3.338 0.000 0.972) 3.477 14.680 ( 6.608 0.000 -1.715) 6.827 14.733 ( 6.397 0.000 0.004) 6.397 14.818 ( 6.482 0.000 2.321) 6.885 14.831 ( 6.926 0.000 -4.648) 8.342 14.964 ( 2.447 0.000 0.001) 2.447 15.073 ( -0.980 0.000 2.030) 2.254 15.504 ( 5.796 0.000 -1.586) 6.009 15.739 ( 5.860 0.000 3.303) 6.727 15.811 ( -7.166 0.000 -3.554) 7.999 15.935 ( 14.040 0.000 -3.997) 14.598 16.218 ( -6.243 0.000 0.999) 6.323 16.350 ( 1.379 0.000 2.953) 3.259 16.453 ( 25.769 0.000 -6.812) 26.654 17.239 ( 6.123 0.000 -1.187) 6.237 17.462 ( 7.775 0.000 -0.865) 7.823 17.830 ( 3.946 0.000 2.248) 4.542 17.868 ( -18.178 0.000 -7.585) 19.697 18.188 ( -17.788 0.000 -7.971) 19.492 18.595 ( -11.854 0.000 -4.763) 12.775 19.213 ( -25.402 0.000 -9.214) 27.021 ======================= Grid point 59 (23/90) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 8.954 0.000 -0.623) 8.975 2.895 ( 34.926 0.000 4.067) 35.162 2.956 ( 10.635 0.000 -3.323) 11.142 3.086 ( 3.696 0.000 -3.374) 5.004 3.707 ( -9.275 0.000 2.666) 9.650 3.804 ( 5.414 0.000 -11.106) 12.355 4.106 ( 18.217 0.000 9.492) 20.542 4.213 ( 16.149 0.000 8.484) 18.242 4.325 ( 24.881 0.000 13.517) 28.315 4.393 ( -3.621 0.000 2.721) 4.529 4.518 ( 7.066 0.000 7.671) 10.429 4.546 ( -30.855 0.000 5.167) 31.284 5.106 ( 17.353 0.000 4.961) 18.048 5.145 ( 5.595 0.000 -3.263) 6.477 5.209 ( 3.895 0.000 0.708) 3.958 5.797 ( -28.993 0.000 11.878) 31.332 5.850 ( -14.141 0.000 3.448) 14.556 5.857 ( -26.235 0.000 11.147) 28.506 6.173 ( -9.634 0.000 2.460) 9.943 6.519 ( -5.770 0.000 -1.061) 5.866 6.566 ( 51.163 0.000 8.583) 51.878 6.696 ( 41.889 0.000 5.341) 42.228 6.931 ( -0.981 0.000 -9.957) 10.005 6.952 ( -1.965 0.000 -9.193) 9.401 7.055 ( 10.413 0.000 -4.466) 11.330 7.085 ( 5.145 0.000 -10.416) 11.617 7.521 ( -13.632 0.000 1.159) 13.681 7.526 ( -13.550 0.000 1.331) 13.615 7.607 ( -0.681 0.000 -7.613) 7.644 7.850 ( 0.157 0.000 -7.474) 7.475 8.661 ( -44.217 0.000 4.727) 44.469 8.720 ( -40.202 0.000 4.253) 40.427 10.208 ( 8.185 0.000 -12.791) 15.186 10.236 ( 8.537 0.000 -13.564) 16.027 10.528 ( 2.394 0.000 -9.243) 9.548 10.539 ( 2.460 0.000 -9.480) 9.794 12.102 ( -0.330 0.000 -0.155) 0.365 12.117 ( -0.541 0.000 0.247) 0.594 12.212 ( -3.954 0.000 -0.412) 3.975 12.234 ( -3.861 0.000 -0.101) 3.862 12.579 ( -1.068 0.000 2.227) 2.470 12.611 ( -1.168 0.000 2.285) 2.566 12.940 ( 6.541 0.000 4.626) 8.011 12.958 ( -1.898 0.000 1.014) 2.152 13.002 ( -2.789 0.000 0.739) 2.885 13.062 ( 4.946 0.000 3.736) 6.199 13.131 ( 0.685 0.000 3.142) 3.216 13.152 ( 0.801 0.000 4.219) 4.295 13.318 ( -1.131 0.000 -0.012) 1.131 13.370 ( 1.433 0.000 0.534) 1.530 13.388 ( -0.667 0.000 -1.100) 1.286 13.465 ( 0.877 0.000 -0.301) 0.928 13.484 ( -3.626 0.000 4.761) 5.984 13.595 ( -4.476 0.000 4.479) 6.332 13.766 ( 2.064 0.000 4.272) 4.745 13.858 ( 0.373 0.000 3.768) 3.786 13.970 ( -2.626 0.000 -1.377) 2.965 14.043 ( -1.143 0.000 -3.155) 3.356 14.141 ( -0.462 0.000 -1.280) 1.361 14.203 ( 1.562 0.000 2.927) 3.318 14.242 ( 2.990 0.000 0.430) 3.020 14.260 ( 1.488 0.000 0.983) 1.783 14.329 ( 1.095 0.000 2.214) 2.470 14.338 ( -3.178 0.000 0.961) 3.320 14.790 ( 4.067 0.000 -2.038) 4.549 14.838 ( 3.836 0.000 0.139) 3.839 14.921 ( 3.515 0.000 2.108) 4.099 14.941 ( 3.954 0.000 -5.670) 6.913 14.983 ( 0.040 0.000 -1.468) 1.468 15.057 ( -0.692 0.000 0.710) 0.991 15.599 ( 3.567 0.000 -0.816) 3.659 15.710 ( -2.997 0.000 -2.754) 4.070 15.836 ( 3.719 0.000 4.548) 5.875 16.105 ( -4.627 0.000 0.724) 4.683 16.227 ( 14.131 0.000 -5.655) 15.220 16.372 ( 0.742 0.000 1.767) 1.917 16.931 ( 20.595 0.000 -7.159) 21.804 17.347 ( 4.724 0.000 -1.503) 4.958 17.529 ( -4.028 0.000 -4.178) 5.804 17.664 ( 0.244 0.000 -1.803) 1.820 17.807 ( -14.081 0.000 -5.714) 15.196 17.970 ( 5.420 0.000 -2.063) 5.799 18.397 ( -7.802 0.000 -3.725) 8.645 18.726 ( -23.708 0.000 -7.742) 24.940 ======================= Grid point 60 (24/90) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 0.000 0.000 -1.895) 1.895 2.987 ( 0.000 0.000 -6.820) 6.820 3.083 ( 0.000 0.000 -7.696) 7.696 3.593 ( -0.000 0.000 6.368) 6.368 3.697 ( -0.000 0.000 4.857) 4.857 3.846 ( 0.000 0.000 -15.963) 15.963 3.905 ( 0.000 0.000 7.701) 7.701 4.184 ( 0.000 0.000 5.805) 5.805 4.363 ( 0.000 0.000 3.261) 3.261 4.394 ( 0.000 0.000 8.060) 8.060 4.734 ( 0.000 0.000 15.809) 15.809 4.754 ( -0.000 0.000 13.329) 13.329 5.209 ( -0.000 0.000 -1.003) 1.003 5.236 ( 0.000 0.000 -0.157) 0.157 5.365 ( 0.000 0.000 11.002) 11.002 5.371 ( 0.000 0.000 3.307) 3.307 5.485 ( -0.000 0.000 9.467) 9.467 5.609 ( -0.000 0.000 6.737) 6.737 6.095 ( 0.000 0.000 2.176) 2.176 6.461 ( 0.000 0.000 -1.078) 1.078 6.933 ( 0.000 0.000 -3.322) 3.322 6.943 ( 0.000 0.000 -3.469) 3.469 7.044 ( -0.000 0.000 -11.617) 11.617 7.063 ( 0.000 0.000 -12.659) 12.659 7.372 ( -0.000 0.000 -4.790) 4.790 7.381 ( 0.000 0.000 -5.385) 5.385 7.466 ( 0.000 0.000 1.531) 1.531 7.491 ( 0.000 0.000 -1.917) 1.917 7.718 ( -0.000 0.000 1.418) 1.418 7.797 ( 0.000 0.000 7.830) 7.830 7.813 ( 0.000 0.000 7.820) 7.820 8.113 ( -0.000 0.000 -2.234) 2.234 10.294 ( 0.000 0.000 -9.996) 9.996 10.327 ( -0.000 0.000 -10.366) 10.366 10.546 ( 0.000 0.000 -12.376) 12.376 10.561 ( -0.000 0.000 -12.318) 12.318 12.099 ( 0.000 0.000 -0.229) 0.229 12.111 ( 0.000 0.000 0.204) 0.204 12.171 ( 0.000 0.000 0.002) 0.002 12.194 ( 0.000 0.000 0.300) 0.300 12.568 ( 0.000 0.000 2.410) 2.410 12.599 ( 0.000 0.000 2.519) 2.519 12.939 ( -0.000 0.000 0.633) 0.633 12.971 ( 0.000 0.000 0.739) 0.739 13.008 ( 0.000 0.000 4.421) 4.421 13.112 ( 0.000 0.000 3.720) 3.720 13.141 ( 0.000 0.000 3.865) 3.865 13.162 ( 0.000 0.000 4.722) 4.722 13.306 ( 0.000 0.000 -0.270) 0.270 13.380 ( 0.000 0.000 -1.413) 1.413 13.410 ( -0.000 0.000 2.401) 2.401 13.415 ( 0.000 0.000 2.150) 2.150 13.511 ( 0.000 0.000 3.718) 3.718 13.518 ( -0.000 0.000 3.152) 3.152 13.785 ( 0.000 0.000 4.246) 4.246 13.859 ( 0.000 0.000 3.589) 3.589 13.943 ( 0.000 0.000 -0.709) 0.709 14.024 ( -0.000 0.000 -2.411) 2.411 14.137 ( -0.000 0.000 -1.763) 1.763 14.222 ( -0.000 0.000 2.357) 2.357 14.274 ( 0.000 0.000 -0.013) 0.013 14.289 ( -0.000 0.000 2.582) 2.582 14.290 ( 0.000 0.000 -0.521) 0.521 14.340 ( 0.000 0.000 2.438) 2.438 14.830 ( 0.000 0.000 -2.154) 2.154 14.876 ( 0.000 0.000 0.364) 0.364 14.952 ( 0.000 0.000 0.868) 0.868 14.980 ( 0.000 0.000 -6.052) 6.052 14.983 ( 0.000 0.000 -1.120) 1.120 15.050 ( 0.000 0.000 1.193) 1.193 15.636 ( 0.000 0.000 -0.588) 0.588 15.684 ( 0.000 0.000 -2.314) 2.314 15.874 ( 0.000 0.000 5.051) 5.051 16.057 ( 0.000 0.000 0.145) 0.145 16.379 ( 0.000 0.000 1.200) 1.200 16.391 ( 0.000 0.000 -6.404) 6.404 17.154 ( 0.000 0.000 -6.449) 6.449 17.410 ( 0.000 0.000 -1.506) 1.506 17.465 ( 0.000 0.000 -3.243) 3.243 17.614 ( 0.000 0.000 -6.309) 6.309 17.696 ( 0.000 0.000 -1.874) 1.874 18.123 ( 0.000 0.000 -3.547) 3.547 18.315 ( -0.000 0.000 -3.439) 3.439 18.391 ( -0.000 0.000 -6.853) 6.853 ======================= Grid point 66 (25/90) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.000 17.774 36.527) 40.622 1.295 ( 0.000 46.031 14.062) 48.131 1.703 ( 0.000 22.660 52.180) 56.888 1.987 ( 0.000 -15.435 26.821) 30.945 2.053 ( 0.000 -13.028 56.181) 57.672 2.922 ( 0.000 11.010 15.027) 18.629 3.353 ( 0.000 -7.673 18.866) 20.366 3.472 ( 0.000 8.521 5.781) 10.297 3.599 ( 0.000 -32.148 -3.518) 32.340 3.814 ( 0.000 -5.020 -0.369) 5.033 4.283 ( 0.000 -0.167 -2.475) 2.480 4.366 ( 0.000 -7.582 -3.057) 8.176 4.435 ( 0.000 1.090 -1.245) 1.654 4.535 ( 0.000 -3.542 -5.036) 6.157 4.861 ( 0.000 6.545 -8.056) 10.380 5.141 ( 0.000 -5.263 1.224) 5.403 6.557 ( 0.000 1.834 -9.863) 10.032 6.592 ( 0.000 2.709 -21.601) 21.770 6.761 ( 0.000 12.824 -31.018) 33.565 6.799 ( 0.000 5.965 -21.531) 22.342 7.243 ( 0.000 -0.539 2.308) 2.370 7.252 ( 0.000 -0.292 10.168) 10.172 7.352 ( 0.000 3.570 -25.354) 25.604 7.381 ( 0.000 1.817 -27.230) 27.291 7.523 ( 0.000 2.946 0.276) 2.959 7.644 ( 0.000 3.049 5.706) 6.470 7.656 ( 0.000 0.077 -3.790) 3.791 7.729 ( 0.000 1.723 0.047) 1.723 8.728 ( 0.000 0.206 26.993) 26.994 8.730 ( 0.000 0.359 26.463) 26.465 9.451 ( 0.000 0.152 -21.411) 21.412 9.457 ( 0.000 -0.112 -22.152) 22.152 10.070 ( 0.000 0.117 -3.305) 3.307 10.077 ( 0.000 -0.146 -4.196) 4.199 10.508 ( 0.000 0.483 -4.127) 4.156 10.530 ( 0.000 -0.425 -3.795) 3.819 12.214 ( 0.000 1.075 6.589) 6.676 12.251 ( 0.000 -0.486 7.814) 7.829 12.287 ( 0.000 0.956 0.710) 1.191 12.334 ( 0.000 -0.862 0.220) 0.890 12.498 ( 0.000 0.231 -1.461) 1.479 12.516 ( 0.000 -0.520 -0.878) 1.020 12.714 ( 0.000 0.857 2.797) 2.926 12.754 ( 0.000 -0.768 3.005) 3.102 13.013 ( 0.000 -0.455 -0.573) 0.732 13.024 ( 0.000 -1.259 -0.946) 1.574 13.245 ( 0.000 0.384 5.962) 5.975 13.282 ( 0.000 -0.999 3.715) 3.847 13.323 ( 0.000 2.850 -0.816) 2.965 13.418 ( 0.000 -1.267 0.567) 1.388 13.431 ( 0.000 0.941 1.657) 1.905 13.480 ( 0.000 -0.814 0.291) 0.864 13.503 ( 0.000 1.555 -2.289) 2.768 13.576 ( 0.000 -0.650 -0.665) 0.930 13.744 ( 0.000 0.325 1.943) 1.970 13.785 ( 0.000 -1.515 -1.519) 2.145 13.861 ( 0.000 1.075 -0.848) 1.369 13.864 ( 0.000 0.694 -3.051) 3.129 13.919 ( 0.000 0.208 -6.688) 6.691 13.959 ( 0.000 -1.590 -9.645) 9.775 14.250 ( 0.000 1.035 0.278) 1.071 14.305 ( 0.000 3.961 12.479) 13.092 14.321 ( 0.000 -1.814 -0.334) 1.844 14.427 ( 0.000 2.308 5.361) 5.837 14.475 ( 0.000 0.643 -1.252) 1.408 14.528 ( 0.000 -1.069 -0.597) 1.224 14.570 ( 0.000 -2.375 3.635) 4.342 14.641 ( 0.000 -1.004 5.560) 5.650 14.775 ( 0.000 -1.226 5.462) 5.598 14.862 ( 0.000 -20.344 20.887) 29.158 15.301 ( 0.000 3.200 -2.493) 4.056 15.468 ( 0.000 -3.452 0.448) 3.481 15.533 ( 0.000 0.987 -1.102) 1.479 15.580 ( 0.000 -0.562 -3.355) 3.402 16.283 ( 0.000 4.440 8.063) 9.205 16.328 ( 0.000 -0.043 -7.770) 7.770 16.338 ( 0.000 0.256 -5.393) 5.399 16.656 ( 0.000 -12.248 11.243) 16.626 17.222 ( 0.000 13.482 6.519) 14.975 17.639 ( 0.000 -5.866 6.341) 8.638 18.929 ( 0.000 2.893 -23.806) 23.981 18.991 ( 0.000 -0.899 -27.224) 27.239 19.523 ( 0.000 34.148 -30.624) 45.869 20.284 ( 0.000 -6.500 -25.077) 25.906 ======================= Grid point 67 (26/90) ======================= q-point: ( 0.10 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 16.144 27.968 19.755) 37.856 1.414 ( 15.836 33.097 17.093) 40.477 1.994 ( 17.257 -12.661 31.774) 38.311 2.247 ( 41.519 13.904 40.182) 59.429 2.581 ( 32.339 -18.173 24.692) 44.562 2.952 ( 4.625 10.337 17.046) 20.465 3.316 ( 0.391 -5.594 16.695) 17.612 3.449 ( 3.861 -3.007 4.241) 6.476 3.758 ( 13.634 -12.362 4.281) 18.895 3.995 ( 13.879 -5.196 0.583) 14.831 4.284 ( 0.786 -1.415 -1.383) 2.129 4.317 ( -4.309 -6.596 -3.690) 8.700 4.451 ( 1.423 0.405 0.287) 1.507 4.537 ( 0.042 -3.410 -3.148) 4.641 4.900 ( 3.932 5.982 -7.722) 10.530 5.154 ( 1.111 -4.648 1.195) 4.926 6.476 ( -13.129 7.867 -18.875) 24.301 6.558 ( -9.269 4.795 -16.170) 19.245 6.632 ( -1.712 4.472 -12.060) 12.975 6.715 ( -2.113 0.093 -13.017) 13.188 7.150 ( -9.235 -0.313 3.765) 9.977 7.159 ( -9.568 -0.464 6.713) 11.697 7.239 ( -10.482 3.038 -17.363) 20.508 7.294 ( -7.815 0.477 -27.295) 28.396 7.394 ( -12.708 2.547 -2.276) 13.159 7.506 ( -13.186 0.226 -5.391) 14.248 7.638 ( -0.266 2.442 6.561) 7.006 7.736 ( 1.533 -1.396 3.993) 4.499 8.584 ( -13.700 0.270 24.194) 27.805 8.587 ( -13.400 0.118 24.275) 27.728 9.539 ( 8.412 0.161 -21.456) 23.046 9.547 ( 8.578 -0.140 -22.120) 23.726 10.142 ( 6.605 0.198 -2.696) 7.137 10.153 ( 6.879 -0.247 -2.823) 7.440 10.383 ( -12.614 0.548 -3.356) 13.064 10.409 ( -12.396 -0.481 -3.262) 12.827 12.169 ( -2.329 0.572 2.921) 3.780 12.195 ( -2.824 -0.480 3.498) 4.521 12.389 ( 7.906 1.690 3.312) 8.737 12.461 ( 9.249 -1.184 2.952) 9.781 12.483 ( -1.770 0.196 -1.488) 2.321 12.498 ( -1.979 -0.408 -0.887) 2.207 12.703 ( -0.928 0.776 3.030) 3.262 12.742 ( -1.049 -0.768 3.284) 3.532 13.021 ( 0.895 0.170 -0.536) 1.057 13.056 ( 1.630 -1.408 -2.150) 3.044 13.207 ( -2.502 -0.221 4.218) 4.909 13.213 ( -3.740 -0.370 5.281) 6.481 13.385 ( 4.500 2.906 -0.508) 5.381 13.420 ( -0.731 0.667 1.087) 1.470 13.478 ( 1.297 -0.321 1.729) 2.186 13.524 ( 8.262 -1.207 0.501) 8.364 13.532 ( 0.432 1.786 -5.823) 6.106 13.620 ( -2.370 -1.227 -6.917) 7.414 13.703 ( -5.391 -0.231 -1.812) 5.692 13.721 ( -1.944 -1.032 0.944) 2.395 13.820 ( 3.303 1.812 1.801) 4.176 13.874 ( 3.207 -0.773 -0.313) 3.314 14.043 ( 6.505 0.012 -5.906) 8.786 14.064 ( 7.190 -0.503 -5.289) 8.939 14.228 ( -2.056 0.941 0.396) 2.296 14.301 ( -2.047 -1.822 0.585) 2.802 14.309 ( 0.568 3.016 8.933) 9.445 14.447 ( -2.040 -0.111 3.216) 3.810 14.490 ( 2.276 0.363 0.856) 2.459 14.511 ( 3.132 -0.513 6.240) 7.001 14.572 ( 3.980 0.002 -0.202) 3.986 14.649 ( 0.594 0.187 4.955) 4.994 14.808 ( 3.453 -0.398 4.335) 5.556 14.969 ( 5.423 -12.209 8.953) 16.082 15.344 ( 3.595 3.236 -2.004) 5.235 15.499 ( 3.192 -3.198 0.345) 4.531 15.582 ( 4.763 1.022 -1.608) 5.130 15.658 ( 8.192 -2.006 -2.565) 8.815 16.211 ( -6.529 3.573 -5.120) 9.034 16.319 ( 2.483 6.447 6.269) 9.329 16.367 ( -0.367 -2.658 -4.301) 5.069 16.762 ( 7.904 -14.422 4.590) 17.075 17.289 ( 6.007 11.370 5.281) 13.902 17.660 ( 2.103 -5.414 5.767) 8.185 18.742 ( -16.718 1.066 -18.272) 24.789 18.789 ( -18.171 -0.126 -22.164) 28.661 19.340 ( -13.654 25.330 -14.873) 32.392 20.072 ( -19.266 -8.182 -19.431) 28.560 ======================= Grid point 68 (27/90) ======================= q-point: ( 0.20 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 22.397 33.967 9.029) 41.676 1.915 ( 27.674 9.379 14.425) 32.587 2.435 ( 23.291 -15.629 15.662) 32.126 2.928 ( 6.749 -15.703 0.120) 17.092 3.075 ( 9.828 6.976 12.043) 17.038 3.107 ( 37.471 11.640 15.761) 42.285 3.445 ( 12.864 -3.940 15.952) 20.868 3.887 ( 26.618 -5.218 12.289) 29.779 4.077 ( 14.243 1.690 5.241) 15.270 4.169 ( 3.692 -9.537 -3.849) 10.927 4.264 ( 11.938 0.483 4.710) 12.843 4.437 ( 5.198 0.197 0.939) 5.286 4.530 ( -0.497 -2.976 0.790) 3.119 4.582 ( 24.838 -4.761 12.201) 28.080 5.009 ( 7.311 3.816 -6.319) 10.390 5.167 ( -0.556 -2.343 1.245) 2.711 6.160 ( -14.303 8.304 -9.263) 18.956 6.322 ( -12.190 0.322 -6.042) 13.609 6.658 ( -1.468 0.190 -3.317) 3.632 6.697 ( -5.352 -1.024 -1.651) 5.693 6.886 ( -17.600 -0.386 -1.127) 17.641 6.912 ( -12.943 -1.178 -3.458) 13.449 6.993 ( -12.203 2.601 -1.440) 12.560 7.044 ( -15.083 1.388 -4.133) 15.701 7.149 ( -9.203 1.335 -23.563) 25.331 7.241 ( -12.392 -1.258 -12.949) 17.967 7.644 ( 0.536 2.488 3.747) 4.530 7.771 ( 1.838 -2.357 0.603) 3.049 8.246 ( -19.611 0.226 18.171) 26.737 8.252 ( -19.511 -0.033 18.361) 26.791 9.752 ( 12.499 0.217 -20.307) 23.846 9.764 ( 12.699 -0.260 -20.808) 24.378 10.018 ( -24.106 0.509 -1.322) 24.148 10.045 ( -24.308 -0.557 -1.508) 24.361 10.297 ( 8.257 0.316 -2.860) 8.744 10.311 ( 8.233 -0.230 -2.694) 8.666 12.134 ( -1.300 0.371 1.010) 1.688 12.153 ( -1.594 -0.384 1.339) 2.117 12.421 ( -4.528 0.198 -1.540) 4.787 12.434 ( -4.541 -0.302 -1.111) 4.685 12.562 ( 8.575 1.620 2.895) 9.194 12.618 ( 3.621 -0.442 0.664) 3.708 12.694 ( 0.601 0.408 4.081) 4.145 12.747 ( 4.398 -1.607 5.700) 7.376 13.033 ( 0.037 0.539 0.241) 0.592 13.065 ( -0.424 -0.800 -1.112) 1.434 13.156 ( -2.104 0.186 3.164) 3.805 13.174 ( -1.440 -0.625 4.487) 4.754 13.390 ( -1.700 0.659 0.763) 1.977 13.415 ( -0.911 -0.102 -0.582) 1.086 13.454 ( -5.787 1.185 -5.860) 8.321 13.507 ( -4.630 -0.886 -4.981) 6.858 13.588 ( 7.216 2.113 2.835) 8.036 13.642 ( -1.775 0.826 1.188) 2.290 13.693 ( 3.122 -1.629 2.282) 4.197 13.727 ( 3.642 -0.966 2.289) 4.409 13.916 ( 5.602 0.867 -0.085) 5.670 13.964 ( 5.251 -1.150 -1.709) 5.641 14.132 ( 1.727 0.644 -1.207) 2.203 14.177 ( 2.726 0.161 -1.876) 3.313 14.189 ( 0.245 1.212 -1.125) 1.672 14.248 ( -2.853 -2.190 1.162) 3.780 14.311 ( -0.571 2.596 5.804) 6.383 14.428 ( -0.568 -1.512 2.459) 2.942 14.571 ( 5.736 1.252 -1.213) 5.995 14.615 ( 6.157 0.280 1.766) 6.411 14.669 ( 5.973 -0.909 -0.102) 6.043 14.695 ( 4.823 -0.474 1.482) 5.068 14.900 ( 5.179 1.233 2.196) 5.759 15.035 ( 1.746 -5.016 4.231) 6.790 15.430 ( 5.174 3.437 -1.819) 6.472 15.586 ( 5.384 -3.266 0.732) 6.339 15.720 ( 9.214 1.411 -2.149) 9.566 15.854 ( 7.829 -5.539 -2.876) 10.013 16.121 ( 0.776 6.303 -4.011) 7.511 16.316 ( -4.141 -2.367 -1.874) 5.124 16.395 ( 5.029 8.504 3.905) 10.624 16.917 ( 7.809 -14.101 0.240) 16.120 17.426 ( 7.484 8.719 2.757) 11.817 17.716 ( 3.517 -4.399 4.178) 7.013 18.317 ( -23.613 1.534 -14.067) 27.529 18.437 ( -17.194 -4.490 -10.779) 20.784 19.052 ( -15.730 16.780 -8.317) 24.458 19.628 ( -24.307 -8.181 -12.281) 28.436 ======================= Grid point 69 (28/90) ======================= q-point: ( 0.30 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 33.173 16.507 8.072) 37.922 2.383 ( 19.136 7.102 4.540) 20.911 2.755 ( 9.718 -9.991 -0.278) 13.941 2.970 ( 2.387 -11.948 -1.181) 12.241 3.516 ( 31.792 7.625 16.025) 36.410 3.684 ( 21.758 9.392 2.202) 23.800 3.785 ( 20.027 -2.240 11.287) 23.098 3.919 ( -8.590 1.595 -1.004) 8.794 4.103 ( -1.679 -4.794 -1.941) 5.437 4.356 ( 7.147 -12.562 0.052) 14.452 4.460 ( -0.094 -0.257 3.402) 3.413 4.555 ( 7.248 -8.024 6.879) 12.816 4.985 ( 24.018 7.634 8.987) 26.756 5.071 ( 0.437 2.420 1.362) 2.811 5.126 ( 13.776 6.466 3.510) 15.618 5.446 ( 45.542 -6.072 11.599) 47.386 6.036 ( 4.472 1.835 0.230) 4.839 6.092 ( -9.552 -0.185 0.047) 9.554 6.365 ( -23.488 -0.498 11.559) 26.183 6.385 ( -23.445 -0.723 12.648) 26.649 6.514 ( -17.711 2.141 -0.566) 17.849 6.654 ( -12.046 -3.340 -4.434) 13.264 6.929 ( 4.926 2.554 -8.591) 10.227 6.989 ( 3.039 0.162 -12.844) 13.199 7.002 ( -5.293 0.417 -18.669) 19.409 7.046 ( -6.505 -0.418 -13.692) 15.164 7.650 ( -0.208 2.927 -1.666) 3.374 7.796 ( -1.376 -2.971 -1.897) 3.784 7.858 ( -18.659 0.317 9.766) 21.062 7.867 ( -17.022 0.170 8.883) 19.201 9.440 ( -34.520 0.298 1.415) 34.550 9.460 ( -34.745 -0.495 1.196) 34.769 10.004 ( 12.366 0.341 -17.205) 21.191 10.019 ( 12.526 -0.273 -17.758) 21.733 10.444 ( 6.237 0.240 -5.268) 8.168 10.455 ( 6.015 -0.197 -5.153) 7.923 12.114 ( -0.755 0.256 0.191) 0.820 12.129 ( -0.982 -0.302 0.459) 1.125 12.315 ( -5.782 0.255 -1.167) 5.904 12.329 ( -5.682 -0.284 -0.889) 5.758 12.610 ( -1.333 0.467 1.632) 2.158 12.633 ( -1.142 -0.413 1.495) 1.926 12.797 ( 8.910 1.837 5.302) 10.529 12.901 ( 8.443 -2.326 4.522) 9.856 13.011 ( -2.210 0.712 1.463) 2.745 13.047 ( -1.739 -0.653 0.578) 1.945 13.131 ( -0.488 0.150 2.113) 2.174 13.144 ( -0.830 -0.380 3.887) 3.992 13.355 ( -1.621 0.757 0.160) 1.796 13.376 ( -1.374 0.901 -2.180) 2.730 13.400 ( -1.030 -0.058 -0.673) 1.232 13.451 ( -1.103 -1.103 -2.562) 2.999 13.580 ( -3.908 1.317 3.934) 5.699 13.653 ( -2.858 -1.688 3.450) 4.788 13.721 ( 4.094 1.993 4.005) 6.064 13.817 ( 2.774 -1.561 3.532) 4.755 14.008 ( 2.114 0.405 -2.664) 3.425 14.035 ( 0.831 -0.394 -3.150) 3.281 14.136 ( 1.936 -0.341 1.845) 2.696 14.175 ( -1.263 -0.060 0.671) 1.432 14.216 ( -0.155 0.834 1.086) 1.378 14.239 ( 2.286 0.782 -0.447) 2.457 14.308 ( 0.686 0.864 3.234) 3.418 14.389 ( -3.056 -1.772 1.535) 3.852 14.696 ( 6.421 1.492 -1.962) 6.878 14.741 ( 6.322 0.558 -0.158) 6.349 14.804 ( 6.865 -1.549 -0.243) 7.042 14.813 ( 6.198 -1.297 -0.729) 6.374 14.979 ( 2.454 1.327 -0.386) 2.816 15.051 ( 0.068 -1.857 1.119) 2.170 15.540 ( 5.729 3.231 -1.114) 6.671 15.693 ( 4.980 -3.424 0.779) 6.093 15.854 ( -3.604 2.970 -1.301) 4.848 15.930 ( 11.240 -0.587 -3.230) 11.709 16.218 ( -3.432 0.061 0.308) 3.447 16.284 ( 7.478 -3.694 -0.722) 8.372 16.579 ( 16.012 9.595 -2.999) 18.906 17.069 ( 7.720 -12.635 -1.589) 14.892 17.570 ( 6.859 6.996 0.145) 9.798 17.788 ( 2.433 -3.415 1.238) 4.372 17.910 ( -15.554 3.379 -6.806) 17.311 18.110 ( -15.888 -5.828 -7.536) 18.526 18.734 ( -16.086 11.252 -6.129) 20.565 19.148 ( -24.376 -6.360 -8.875) 26.710 ======================= Grid point 70 (29/90) ======================= q-point: ( 0.40 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 8.613 4.529 -1.271) 9.814 2.877 ( 9.701 -3.916 -3.771) 11.121 2.942 ( 29.644 1.010 3.876) 29.914 3.063 ( 7.092 -2.329 -2.331) 7.820 3.709 ( -10.011 1.083 1.003) 10.119 3.870 ( 0.332 1.940 -11.287) 11.457 4.076 ( 0.995 -0.867 5.263) 5.426 4.189 ( 27.699 2.803 13.834) 31.088 4.294 ( 21.553 -2.569 11.836) 24.723 4.384 ( 4.266 -1.071 3.261) 5.475 4.487 ( 6.129 0.068 7.721) 9.858 4.757 ( -12.829 10.177 6.441) 17.596 4.817 ( 8.578 -13.215 4.434) 16.367 5.134 ( 0.553 -2.662 -0.815) 2.839 5.461 ( 6.798 13.615 1.351) 15.278 5.802 ( -22.113 -0.906 7.953) 23.517 5.813 ( -17.120 -2.006 5.733) 18.166 5.851 ( -25.975 -0.855 10.733) 28.118 6.155 ( -6.148 -0.805 2.997) 6.886 6.368 ( 9.465 -9.758 3.547) 14.049 6.637 ( 35.493 3.226 2.592) 35.734 6.707 ( 36.568 0.194 3.477) 36.734 6.934 ( -0.919 0.268 -9.961) 10.007 6.949 ( -1.546 -0.285 -9.394) 9.524 7.070 ( 9.142 1.229 -4.129) 10.106 7.093 ( 5.703 0.507 -7.885) 9.745 7.516 ( -12.762 -0.147 0.783) 12.786 7.524 ( -13.235 -0.161 1.350) 13.304 7.657 ( -0.742 4.282 -7.280) 8.479 7.825 ( 0.274 -2.540 -7.498) 7.921 8.667 ( -43.766 0.632 4.712) 44.024 8.709 ( -40.944 -1.024 4.388) 41.191 10.212 ( 8.226 0.396 -12.893) 15.299 10.232 ( 8.475 -0.367 -13.439) 15.892 10.530 ( 2.406 0.179 -9.284) 9.593 10.538 ( 2.452 -0.144 -9.451) 9.765 12.104 ( -0.367 0.173 -0.097) 0.418 12.114 ( -0.516 -0.236 0.188) 0.598 12.215 ( -3.927 0.313 -0.367) 3.956 12.231 ( -3.860 -0.293 -0.146) 3.874 12.584 ( -1.089 0.425 2.246) 2.532 12.606 ( -1.158 -0.456 2.287) 2.603 12.945 ( 3.427 0.593 3.652) 5.043 12.969 ( -0.648 0.717 1.667) 1.926 12.996 ( -0.515 -0.267 1.457) 1.568 13.046 ( 4.644 -1.431 3.271) 5.858 13.135 ( 0.761 0.379 3.401) 3.505 13.151 ( 0.869 -0.190 4.178) 4.272 13.328 ( -1.033 0.984 -0.181) 1.438 13.371 ( 0.085 -0.444 -0.703) 0.836 13.390 ( 0.445 0.841 0.144) 0.962 13.452 ( 0.827 -1.255 -0.235) 1.521 13.501 ( -3.651 1.533 4.750) 6.184 13.578 ( -4.206 -1.563 4.523) 6.371 13.777 ( 1.616 1.105 4.213) 4.646 13.844 ( 0.455 -1.400 3.906) 4.174 13.975 ( -2.677 0.856 -1.599) 3.233 14.032 ( -1.546 -1.074 -2.881) 3.441 14.164 ( 0.179 1.322 -0.997) 1.666 14.189 ( 1.885 -1.077 2.380) 3.221 14.229 ( 1.544 0.276 1.356) 2.073 14.278 ( 1.394 0.494 -0.309) 1.511 14.328 ( 0.251 -0.119 1.608) 1.631 14.333 ( -1.376 -0.293 1.921) 2.381 14.801 ( 3.835 1.074 -2.411) 4.655 14.842 ( 3.632 0.225 -0.498) 3.673 14.910 ( 3.551 -1.774 -1.677) 4.309 14.913 ( 3.633 -0.938 1.452) 4.024 15.003 ( 0.567 1.226 -2.930) 3.227 15.045 ( -0.482 -0.963 -0.731) 1.301 15.638 ( 3.853 3.470 0.072) 5.186 15.747 ( 0.040 2.220 -2.389) 3.262 15.824 ( 1.230 -0.003 3.713) 3.911 16.036 ( -1.427 -5.721 -0.961) 5.974 16.264 ( 8.615 2.860 -2.942) 9.542 16.366 ( 1.853 -1.014 0.459) 2.162 16.958 ( 18.696 2.901 -6.157) 19.897 17.218 ( 7.402 -8.888 -2.609) 11.858 17.609 ( -7.510 4.611 -4.144) 9.738 17.696 ( 0.306 1.929 -1.943) 2.755 17.808 ( -9.080 0.847 -4.670) 10.246 17.939 ( 5.915 -2.857 -1.807) 6.813 18.452 ( -11.631 5.085 -4.702) 13.537 18.684 ( -22.336 -4.088 -7.393) 23.880 ======================= Grid point 71 (30/90) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 0.000 4.110 -2.501) 4.811 2.938 ( 0.000 -4.541 -5.956) 7.490 3.130 ( 0.000 4.603 -7.185) 8.533 3.476 ( -0.000 -11.846 -2.880) 12.191 3.588 ( -0.000 -1.030 5.364) 5.462 3.736 ( 0.000 -9.582 6.335) 11.487 4.064 ( 0.000 11.886 -7.910) 14.277 4.323 ( 0.000 -1.764 1.215) 2.142 4.447 ( -0.000 16.375 7.273) 17.917 4.471 ( 0.000 8.050 8.480) 11.693 4.741 ( 0.000 0.594 16.018) 16.029 4.754 ( -0.000 -0.107 13.602) 13.603 5.024 ( 0.000 -14.312 2.958) 14.615 5.087 ( -0.001 -11.027 4.348) 11.854 5.380 ( 0.000 1.712 10.733) 10.869 5.465 ( 0.000 -1.295 9.304) 9.393 5.532 ( 0.001 8.697 1.078) 8.763 5.675 ( -0.000 3.940 1.534) 4.228 6.093 ( 0.000 0.955 2.065) 2.275 6.370 ( 0.000 -8.181 -1.088) 8.253 6.934 ( 0.000 0.070 -3.374) 3.374 6.941 ( 0.000 -0.197 -3.482) 3.487 7.049 ( -0.000 0.435 -11.514) 11.523 7.062 ( 0.000 -0.108 -12.222) 12.223 7.348 ( 0.000 -1.379 -4.198) 4.419 7.359 ( -0.000 -1.609 -4.854) 5.114 7.497 ( -0.000 2.097 0.508) 2.158 7.512 ( 0.000 1.348 -1.396) 1.940 7.788 ( -0.000 6.184 0.653) 6.218 7.800 ( 0.000 0.224 7.820) 7.823 7.812 ( -0.000 0.028 7.580) 7.580 8.065 ( -0.000 -4.692 -1.893) 5.060 10.299 ( 0.000 0.458 -10.049) 10.059 10.322 ( -0.000 -0.457 -10.310) 10.320 10.548 ( 0.000 0.239 -12.366) 12.368 10.559 ( -0.000 -0.191 -12.325) 12.326 12.100 ( 0.000 0.136 -0.163) 0.212 12.109 ( 0.000 -0.212 0.143) 0.256 12.175 ( 0.000 0.339 0.050) 0.342 12.191 ( 0.000 -0.292 0.261) 0.392 12.573 ( 0.000 0.406 2.440) 2.474 12.594 ( 0.000 -0.443 2.516) 2.555 12.941 ( -0.000 0.216 0.831) 0.858 12.958 ( 0.000 -0.772 1.400) 1.599 13.031 ( 0.000 1.641 3.559) 3.919 13.096 ( 0.000 -1.359 3.530) 3.783 13.145 ( 0.000 0.429 4.114) 4.137 13.162 ( 0.000 -0.121 4.725) 4.727 13.318 ( 0.000 1.064 -0.482) 1.169 13.369 ( 0.000 -1.035 -1.249) 1.622 13.421 ( -0.000 0.996 2.256) 2.466 13.428 ( 0.000 1.096 1.957) 2.243 13.498 ( 0.000 -1.077 3.904) 4.050 13.509 ( -0.000 -0.932 3.327) 3.455 13.792 ( 0.000 0.703 4.221) 4.279 13.847 ( 0.000 -1.297 4.026) 4.230 13.946 ( 0.000 0.802 -1.197) 1.441 14.010 ( -0.000 -1.324 -2.138) 2.514 14.165 ( -0.000 2.010 -1.515) 2.517 14.209 ( 0.000 -1.006 2.037) 2.272 14.250 ( -0.000 -0.781 1.350) 1.559 14.283 ( 0.000 -0.762 -0.465) 0.893 14.317 ( 0.000 1.391 1.317) 1.915 14.341 ( 0.000 -0.005 2.018) 2.018 14.838 ( 0.000 0.822 -2.512) 2.643 14.877 ( 0.000 -0.081 -0.809) 0.813 14.942 ( 0.000 -1.596 -1.128) 1.955 14.948 ( 0.000 -0.513 1.801) 1.873 15.012 ( 0.000 1.038 -4.158) 4.285 15.039 ( -0.000 -0.799 -0.789) 1.123 15.678 ( 0.000 3.849 0.754) 3.923 15.742 ( 0.000 5.451 -2.404) 5.957 15.845 ( -0.000 -2.850 4.520) 5.344 16.008 ( 0.000 -4.766 -0.851) 4.841 16.375 ( 0.000 -0.385 0.607) 0.719 16.380 ( -0.000 -0.832 -4.474) 4.551 17.174 ( 0.000 1.929 -5.894) 6.202 17.320 ( 0.000 -5.261 -2.856) 5.987 17.520 ( 0.000 2.619 -3.179) 4.119 17.601 ( -0.000 -1.264 -5.724) 5.862 17.785 ( 0.000 7.507 -2.103) 7.796 18.074 ( -0.000 -4.702 -3.273) 5.728 18.327 ( -0.000 1.116 -4.059) 4.209 18.380 ( 0.000 -1.039 -6.433) 6.517 ======================= Grid point 77 (31/90) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.000 -19.095 30.606) 36.075 1.535 ( 0.000 19.095 30.606) 36.075 1.784 ( 0.000 -11.403 50.154) 51.434 1.784 ( 0.000 11.403 50.154) 51.434 2.674 ( 0.000 -53.533 4.413) 53.715 2.674 ( 0.000 53.534 4.413) 53.715 3.163 ( 0.000 -10.170 20.912) 23.254 3.163 ( 0.000 10.170 20.912) 23.254 3.668 ( 0.000 -9.289 2.093) 9.522 3.668 ( 0.000 9.289 2.093) 9.522 4.290 ( 0.000 -1.250 -2.926) 3.182 4.290 ( 0.000 1.250 -2.926) 3.182 4.471 ( 0.000 -2.575 -3.871) 4.649 4.471 ( 0.000 2.575 -3.871) 4.650 5.008 ( 0.000 -7.528 -2.812) 8.036 5.008 ( 0.000 7.529 -2.812) 8.037 6.595 ( 0.000 -1.506 -14.832) 14.908 6.595 ( 0.000 1.506 -14.832) 14.909 6.878 ( 0.000 -0.077 -30.830) 30.830 6.878 ( 0.000 0.077 -30.830) 30.830 7.244 ( 0.000 -0.411 7.171) 7.182 7.244 ( 0.000 0.411 7.171) 7.182 7.395 ( 0.000 -0.606 -23.817) 23.825 7.395 ( 0.000 0.606 -23.817) 23.825 7.604 ( 0.000 -4.083 1.217) 4.260 7.604 ( 0.000 4.083 1.217) 4.260 7.726 ( 0.000 -3.561 -6.386) 7.311 7.726 ( 0.000 3.561 -6.386) 7.311 8.732 ( 0.000 -0.155 26.269) 26.269 8.732 ( 0.000 0.155 26.269) 26.269 9.454 ( 0.000 -0.188 -21.771) 21.772 9.454 ( 0.000 0.188 -21.771) 21.772 10.073 ( 0.000 -0.183 -3.733) 3.737 10.073 ( 0.000 0.183 -3.733) 3.737 10.519 ( 0.000 -0.630 -3.981) 4.031 10.519 ( 0.000 0.630 -3.981) 4.031 12.236 ( 0.000 -0.956 7.308) 7.370 12.236 ( 0.000 0.956 7.308) 7.370 12.311 ( 0.000 -1.322 0.397) 1.381 12.311 ( 0.000 1.322 0.397) 1.381 12.505 ( 0.000 -0.466 -1.126) 1.219 12.505 ( 0.000 0.466 -1.126) 1.219 12.734 ( 0.000 -1.106 2.826) 3.034 12.734 ( 0.000 1.106 2.826) 3.034 13.008 ( 0.000 -0.172 -0.805) 0.823 13.008 ( 0.000 0.172 -0.805) 0.823 13.259 ( 0.000 -1.016 5.531) 5.624 13.259 ( 0.000 1.016 5.531) 5.624 13.380 ( 0.000 -2.465 0.006) 2.465 13.380 ( 0.000 2.465 0.006) 2.465 13.456 ( 0.000 -1.374 1.154) 1.795 13.456 ( 0.000 1.374 1.154) 1.795 13.546 ( 0.000 -2.255 -1.769) 2.867 13.546 ( 0.000 2.255 -1.769) 2.867 13.758 ( 0.000 -1.060 -0.022) 1.060 13.758 ( 0.000 1.060 -0.022) 1.060 13.873 ( 0.000 -0.012 -2.007) 2.007 13.873 ( 0.000 0.012 -2.007) 2.007 13.930 ( 0.000 -1.021 -7.859) 7.925 13.930 ( 0.000 1.021 -7.859) 7.925 14.281 ( 0.000 -1.920 -0.203) 1.931 14.281 ( 0.000 1.920 -0.203) 1.931 14.443 ( 0.000 -10.055 19.297) 21.759 14.443 ( 0.000 10.055 19.297) 21.759 14.475 ( 0.000 -1.513 2.312) 2.763 14.475 ( 0.000 1.513 2.312) 2.763 14.528 ( 0.000 -0.218 1.438) 1.454 14.528 ( 0.000 0.218 1.438) 1.454 14.745 ( 0.000 -1.383 6.839) 6.978 14.745 ( 0.000 1.383 6.840) 6.978 15.383 ( 0.000 -4.559 -1.347) 4.754 15.383 ( 0.000 4.559 -1.347) 4.754 15.558 ( 0.000 -1.358 -2.113) 2.512 15.558 ( 0.000 1.358 -2.113) 2.512 16.326 ( 0.000 -0.241 -6.349) 6.354 16.326 ( 0.000 0.241 -6.349) 6.354 16.439 ( 0.000 -9.076 9.129) 12.873 16.439 ( 0.000 9.076 9.129) 12.873 17.469 ( 0.000 -10.757 6.622) 12.632 17.469 ( 0.000 10.757 6.622) 12.632 18.967 ( 0.000 -1.471 -25.336) 25.379 18.967 ( 0.000 1.471 -25.336) 25.379 20.054 ( 0.000 -17.819 -34.270) 38.626 20.054 ( 0.000 17.819 -34.270) 38.626 ======================= Grid point 79 (32/90) ======================= q-point: ( 0.10 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 17.948 -16.767 28.638) 37.728 1.672 ( 17.948 16.767 28.638) 37.728 2.153 ( 21.098 -25.687 20.904) 39.267 2.153 ( 21.098 25.687 20.904) 39.267 2.830 ( 21.084 -41.035 15.170) 48.565 2.830 ( 21.084 41.035 15.170) 48.565 3.163 ( 2.478 -9.713 17.846) 20.469 3.163 ( 2.478 9.713 17.846) 20.469 3.842 ( 15.535 -9.537 4.804) 18.852 3.842 ( 15.535 9.537 4.804) 18.852 4.265 ( -2.049 -0.320 -2.802) 3.486 4.265 ( -2.049 0.320 -2.802) 3.486 4.477 ( 0.472 -2.282 -2.478) 3.402 4.477 ( 0.472 2.282 -2.478) 3.402 5.034 ( 2.585 -6.826 -2.574) 7.739 5.034 ( 2.585 6.826 -2.574) 7.739 6.578 ( -6.885 -2.131 -18.250) 19.622 6.578 ( -6.885 2.131 -18.250) 19.622 6.710 ( -8.765 -1.629 -15.477) 17.861 6.710 ( -8.765 1.629 -15.477) 17.861 7.151 ( -9.432 -0.345 6.255) 11.323 7.151 ( -9.432 0.345 6.255) 11.323 7.286 ( -9.912 -1.409 -22.090) 24.253 7.286 ( -9.912 1.409 -22.090) 24.253 7.468 ( -13.389 -3.795 -4.633) 14.667 7.468 ( -13.389 3.795 -4.633) 14.667 7.696 ( -0.349 -2.694 3.565) 4.482 7.696 ( -0.349 2.694 3.565) 4.482 8.588 ( -13.624 -0.073 23.966) 27.568 8.588 ( -13.624 0.073 23.966) 27.568 9.543 ( 8.486 -0.213 -21.789) 23.384 9.543 ( 8.486 0.213 -21.789) 23.384 10.147 ( 6.712 -0.315 -2.733) 7.254 10.147 ( 6.712 0.315 -2.733) 7.254 10.396 ( -12.480 -0.719 -3.329) 12.937 10.396 ( -12.480 0.719 -3.329) 12.937 12.183 ( -2.644 -0.735 3.197) 4.213 12.183 ( -2.644 0.735 3.197) 4.213 12.428 ( 8.591 -1.986 3.113) 9.351 12.428 ( 8.591 1.986 3.113) 9.351 12.489 ( -1.842 -0.392 -1.185) 2.225 12.489 ( -1.842 0.392 -1.185) 2.225 12.722 ( -1.073 -1.074 3.061) 3.417 12.722 ( -1.073 1.074 3.061) 3.417 13.031 ( 1.537 -0.913 -1.263) 2.189 13.031 ( 1.537 0.913 -1.263) 2.189 13.207 ( -2.987 -0.185 4.920) 5.759 13.207 ( -2.987 0.185 4.920) 5.759 13.425 ( 0.236 -0.731 0.005) 0.768 13.425 ( 0.236 0.731 0.005) 0.768 13.490 ( 6.086 -1.732 0.963) 6.400 13.490 ( 6.086 1.732 0.963) 6.400 13.580 ( -0.709 -2.576 -6.355) 6.894 13.580 ( -0.709 2.576 -6.355) 6.894 13.705 ( -3.444 -0.454 -0.203) 3.480 13.705 ( -3.444 0.454 -0.203) 3.480 13.852 ( 2.725 -1.353 0.473) 3.079 13.852 ( 2.725 1.353 0.473) 3.079 14.051 ( 7.182 -0.716 -5.279) 8.942 14.051 ( 7.182 0.716 -5.279) 8.942 14.258 ( -2.239 -1.977 0.413) 3.015 14.258 ( -2.239 1.977 0.413) 3.015 14.391 ( -1.240 -4.406 9.678) 10.706 14.391 ( -1.240 4.406 9.678) 10.706 14.506 ( 2.917 -0.620 0.716) 3.067 14.506 ( 2.917 0.620 0.716) 3.067 14.609 ( 3.422 -3.612 4.933) 7.006 14.609 ( 3.422 3.612 4.933) 7.006 14.815 ( 6.782 -2.386 6.058) 9.402 14.815 ( 6.782 2.386 6.058) 9.402 15.420 ( 3.516 -4.195 -1.121) 5.587 15.420 ( 3.516 4.195 -1.121) 5.587 15.614 ( 5.647 -2.107 -1.862) 6.309 15.614 ( 5.647 2.107 -1.862) 6.309 16.294 ( -2.748 -4.260 -4.433) 6.734 16.294 ( -2.748 4.260 -4.433) 6.734 16.501 ( 5.433 -11.284 5.736) 13.775 16.501 ( 5.433 11.285 5.736) 13.775 17.505 ( 3.457 -9.693 5.743) 11.785 17.505 ( 3.457 9.693 5.743) 11.785 18.769 ( -18.144 -1.431 -21.143) 27.898 18.769 ( -18.144 1.431 -21.143) 27.898 19.807 ( -20.225 -18.698 -21.233) 34.778 19.807 ( -20.225 18.698 -21.233) 34.778 ======================= Grid point 81 (33/90) ======================= q-point: ( 0.20 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 24.777 -14.352 14.333) 32.021 2.131 ( 24.777 14.352 14.333) 32.021 2.400 ( 9.357 -32.583 4.582) 34.208 2.400 ( 9.357 32.583 4.582) 34.208 3.263 ( 14.455 -6.218 10.729) 19.045 3.263 ( 14.455 6.218 10.729) 19.045 3.520 ( 33.103 -20.728 17.420) 42.765 3.520 ( 33.103 20.728 17.420) 42.765 4.089 ( -0.357 -2.171 -3.931) 4.505 4.089 ( -0.357 2.171 -3.931) 4.505 4.405 ( 26.523 -7.050 10.614) 29.425 4.405 ( 26.523 7.050 10.614) 29.425 4.488 ( 2.661 -0.275 2.433) 3.616 4.488 ( 2.661 0.275 2.433) 3.616 5.097 ( 3.447 -4.364 -1.870) 5.868 5.097 ( 3.448 4.365 -1.870) 5.868 6.292 ( -14.869 -3.990 -8.526) 17.598 6.292 ( -14.869 3.990 -8.526) 17.598 6.673 ( -3.874 -1.195 -3.791) 5.551 6.673 ( -3.874 1.196 -3.791) 5.551 6.890 ( -16.116 -0.725 -0.668) 16.146 6.890 ( -16.116 0.725 -0.668) 16.146 7.041 ( -12.433 -1.646 -5.602) 13.735 7.041 ( -12.433 1.646 -5.602) 13.736 7.198 ( -11.785 -2.907 -16.081) 20.148 7.198 ( -11.785 2.907 -16.081) 20.148 7.708 ( 1.104 -3.589 1.999) 4.254 7.708 ( 1.104 3.589 1.999) 4.254 8.250 ( -19.595 -0.188 18.160) 26.717 8.250 ( -19.595 0.188 18.160) 26.717 9.757 ( 12.530 -0.330 -20.548) 24.070 9.757 ( 12.530 0.330 -20.548) 24.070 10.031 ( -24.110 -0.744 -1.401) 24.162 10.031 ( -24.110 0.744 -1.401) 24.162 10.304 ( 8.201 -0.385 -2.793) 8.673 10.304 ( 8.201 0.385 -2.793) 8.673 12.144 ( -1.463 -0.534 1.162) 1.943 12.144 ( -1.463 0.534 1.162) 1.943 12.427 ( -4.505 -0.343 -1.327) 4.708 12.427 ( -4.505 0.343 -1.327) 4.708 12.598 ( 6.558 -1.606 1.615) 6.942 12.598 ( 6.558 1.606 1.615) 6.942 12.713 ( 1.856 -1.502 4.998) 5.539 12.713 ( 1.856 1.502 4.998) 5.539 13.047 ( 0.051 -0.891 -0.444) 0.997 13.047 ( 0.051 0.891 -0.444) 0.997 13.162 ( -1.812 -0.445 3.978) 4.394 13.162 ( -1.812 0.445 3.978) 4.394 13.405 ( -1.562 -0.755 0.166) 1.743 13.405 ( -1.562 0.755 0.166) 1.743 13.482 ( -5.205 -1.431 -5.536) 7.733 13.482 ( -5.205 1.431 -5.536) 7.733 13.636 ( 4.588 -2.115 1.571) 5.291 13.636 ( 4.588 2.115 1.571) 5.291 13.691 ( 1.594 -1.926 2.200) 3.330 13.691 ( 1.594 1.926 2.200) 3.330 13.939 ( 5.207 -1.292 -0.850) 5.431 13.939 ( 5.207 1.292 -0.850) 5.431 14.161 ( 2.944 -1.744 -1.461) 3.721 14.161 ( 2.944 1.744 -1.461) 3.721 14.211 ( -1.445 -1.165 0.058) 1.857 14.211 ( -1.445 1.165 0.058) 1.857 14.377 ( -1.165 -3.376 4.730) 5.927 14.377 ( -1.165 3.376 4.730) 5.927 14.602 ( 6.505 -1.540 -0.565) 6.708 14.602 ( 6.505 1.540 -0.565) 6.708 14.675 ( 4.458 -1.275 1.722) 4.946 14.675 ( 4.458 1.275 1.722) 4.946 14.945 ( 5.273 -3.423 3.077) 6.999 14.945 ( 5.273 3.423 3.076) 6.999 15.508 ( 5.222 -4.158 -0.890) 6.734 15.508 ( 5.222 4.158 -0.890) 6.734 15.766 ( 9.012 -3.292 -1.944) 9.789 15.766 ( 9.012 3.292 -1.944) 9.789 16.235 ( -2.657 -5.082 -2.301) 6.179 16.235 ( -2.657 5.082 -2.301) 6.179 16.630 ( 7.559 -13.740 1.600) 15.763 16.630 ( 7.559 13.740 1.600) 15.764 17.593 ( 5.198 -7.600 3.648) 9.904 17.593 ( 5.198 7.600 3.648) 9.904 18.363 ( -21.028 -2.943 -12.951) 24.871 18.363 ( -21.028 2.943 -12.951) 24.871 19.389 ( -21.509 -15.293 -11.075) 28.621 19.389 ( -21.509 15.293 -11.075) 28.621 ======================= Grid point 83 (34/90) ======================= q-point: ( 0.30 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 15.686 -11.495 2.195) 19.571 2.532 ( 15.686 11.495 2.195) 19.571 2.646 ( 15.868 -18.502 4.067) 24.712 2.646 ( 15.868 18.502 4.067) 24.712 3.667 ( 26.511 -6.601 13.668) 30.549 3.667 ( 26.511 6.601 13.668) 30.549 3.970 ( -2.581 -5.106 -8.374) 10.142 3.970 ( -2.581 5.106 -8.374) 10.142 4.025 ( 12.731 -9.826 7.444) 17.721 4.025 ( 12.731 9.826 7.444) 17.722 4.474 ( 0.134 -1.813 4.025) 4.416 4.474 ( 0.134 1.813 4.025) 4.416 5.087 ( 7.149 -1.829 4.161) 8.472 5.087 ( 7.149 1.830 4.161) 8.472 5.287 ( 37.347 -8.976 10.004) 39.692 5.287 ( 37.347 8.976 10.004) 39.692 6.072 ( -5.791 -1.674 0.013) 6.028 6.072 ( -5.792 1.674 0.013) 6.029 6.368 ( -23.760 -0.740 11.349) 26.341 6.368 ( -23.760 0.740 11.349) 26.341 6.577 ( -13.331 -3.909 -4.085) 14.481 6.577 ( -13.331 3.909 -4.085) 14.481 6.974 ( 2.313 -1.614 -11.010) 11.366 6.974 ( 2.313 1.614 -11.010) 11.366 7.026 ( -4.829 -1.571 -14.412) 15.280 7.026 ( -4.829 1.571 -14.412) 15.280 7.724 ( -0.497 -4.031 -1.965) 4.512 7.724 ( -0.497 4.031 -1.965) 4.512 7.865 ( -17.984 -0.310 9.407) 20.298 7.865 ( -17.984 0.310 9.407) 20.298 9.449 ( -34.645 -0.566 1.296) 34.674 9.449 ( -34.645 0.566 1.296) 34.674 10.012 ( 12.423 -0.435 -17.457) 21.430 10.012 ( 12.423 0.435 -17.457) 21.430 10.450 ( 6.121 -0.308 -5.214) 8.047 10.450 ( 6.121 0.308 -5.214) 8.047 12.121 ( -0.875 -0.394 0.317) 1.010 12.121 ( -0.875 0.394 0.317) 1.010 12.322 ( -5.714 -0.378 -1.032) 5.818 12.322 ( -5.714 0.378 -1.032) 5.818 12.622 ( -1.327 -0.638 1.573) 2.155 12.622 ( -1.327 0.638 1.573) 2.155 12.846 ( 8.677 -2.867 4.903) 10.371 12.846 ( 8.677 2.867 4.903) 10.371 13.029 ( -1.994 -0.999 1.078) 2.477 13.029 ( -1.994 0.999 1.078) 2.477 13.136 ( -0.460 -0.352 3.058) 3.112 13.136 ( -0.460 0.352 3.058) 3.112 13.373 ( -1.424 -0.915 -0.393) 1.737 13.373 ( -1.424 0.915 -0.393) 1.737 13.421 ( -1.230 -1.726 -2.325) 3.146 13.421 ( -1.229 1.726 -2.325) 3.146 13.615 ( -3.440 -1.996 3.653) 5.400 13.615 ( -3.440 1.996 3.653) 5.400 13.771 ( 3.332 -2.733 3.674) 5.663 13.771 ( 3.332 2.733 3.674) 5.663 14.022 ( 1.960 -0.829 -3.079) 3.743 14.022 ( 1.960 0.829 -3.079) 3.743 14.148 ( -0.553 -1.503 2.382) 2.871 14.148 ( -0.553 1.503 2.382) 2.871 14.242 ( 2.077 -0.709 -1.062) 2.438 14.242 ( 2.077 0.709 -1.062) 2.438 14.343 ( -1.789 -2.480 2.940) 4.242 14.343 ( -1.789 2.480 2.940) 4.242 14.733 ( 6.233 -1.759 -2.208) 6.843 14.733 ( 6.233 1.759 -2.208) 6.843 14.789 ( 6.427 -0.760 1.027) 6.553 14.789 ( 6.427 0.760 1.027) 6.553 15.012 ( 1.707 -1.848 -0.136) 2.519 15.012 ( 1.707 1.848 -0.137) 2.519 15.617 ( 5.587 -4.047 -0.375) 6.910 15.617 ( 5.587 4.048 -0.375) 6.910 15.906 ( 3.443 -1.969 -1.575) 4.268 15.906 ( 3.444 1.969 -1.575) 4.268 16.231 ( 3.242 -1.523 -0.962) 3.709 16.231 ( 3.242 1.523 -0.962) 3.709 16.807 ( 10.890 -12.748 -1.908) 16.874 16.807 ( 10.890 12.748 -1.908) 16.874 17.698 ( 4.997 -5.533 1.104) 7.537 17.698 ( 4.997 5.533 1.104) 7.537 17.996 ( -15.438 -5.139 -7.318) 17.841 17.996 ( -15.438 5.139 -7.318) 17.841 18.969 ( -21.211 -11.071 -7.821) 25.172 18.969 ( -21.211 11.071 -7.821) 25.172 ======================= Grid point 85 (35/90) ======================= q-point: ( 0.40 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 7.222 -6.803 -2.994) 10.363 2.756 ( 7.222 6.803 -2.994) 10.363 2.998 ( 19.084 -3.660 1.253) 19.472 2.998 ( 19.084 3.661 1.253) 19.472 3.780 ( -10.856 -6.016 -2.774) 12.717 3.780 ( -10.856 6.016 -2.774) 12.717 4.193 ( 10.932 -6.241 4.463) 13.356 4.193 ( 10.932 6.241 4.463) 13.356 4.317 ( 24.659 -6.427 8.385) 26.827 4.317 ( 24.659 6.427 8.385) 26.827 4.539 ( 8.313 -7.304 8.522) 13.967 4.539 ( 8.313 7.304 8.522) 13.967 5.012 ( -9.670 -9.749 3.495) 14.169 5.012 ( -9.670 9.749 3.495) 14.169 5.690 ( 0.275 -8.660 0.303) 8.670 5.690 ( 0.274 8.660 0.303) 8.670 5.827 ( -27.963 -1.257 11.362) 30.210 5.827 ( -27.963 1.257 11.362) 30.210 6.197 ( 2.295 -5.869 3.306) 7.116 6.197 ( 2.295 5.870 3.306) 7.117 6.689 ( 34.375 -1.912 1.668) 34.468 6.689 ( 34.374 1.912 1.668) 34.468 6.941 ( -1.051 -0.453 -9.775) 9.842 6.941 ( -1.051 0.453 -9.775) 9.842 7.092 ( 7.074 -0.719 -4.791) 8.574 7.092 ( 7.074 0.719 -4.791) 8.574 7.519 ( -12.687 -0.322 1.115) 12.740 7.519 ( -12.687 0.322 1.115) 12.740 7.751 ( 0.099 -4.574 -7.445) 8.738 7.751 ( 0.099 4.574 -7.445) 8.738 8.686 ( -42.504 -1.151 4.611) 42.769 8.686 ( -42.504 1.151 4.611) 42.769 10.222 ( 8.340 -0.540 -13.155) 15.585 10.222 ( 8.340 0.540 -13.155) 15.585 10.534 ( 2.431 -0.228 -9.374) 9.687 10.534 ( 2.431 0.228 -9.374) 9.687 12.108 ( -0.447 -0.289 0.046) 0.535 12.108 ( -0.447 0.289 0.046) 0.535 12.223 ( -3.879 -0.427 -0.256) 3.911 12.223 ( -3.879 0.427 -0.256) 3.911 12.595 ( -1.128 -0.628 2.276) 2.617 12.595 ( -1.128 0.628 2.276) 2.617 12.963 ( -0.157 -1.038 2.491) 2.704 12.963 ( -0.157 1.038 2.491) 2.704 13.013 ( 3.679 -1.623 2.512) 4.741 13.013 ( 3.679 1.623 2.512) 4.741 13.144 ( 0.874 -0.465 3.883) 4.007 13.144 ( 0.874 0.465 3.883) 4.007 13.352 ( -0.797 -1.226 -0.602) 1.581 13.352 ( -0.797 1.226 -0.602) 1.581 13.420 ( 0.890 -1.801 0.080) 2.010 13.420 ( 0.890 1.801 0.080) 2.010 13.539 ( -3.856 -2.113 4.641) 6.393 13.539 ( -3.856 2.113 4.641) 6.393 13.808 ( 0.825 -1.875 4.043) 4.532 13.808 ( 0.825 1.875 4.043) 4.532 14.003 ( -2.292 -1.648 -2.154) 3.551 14.003 ( -2.292 1.648 -2.154) 3.551 14.174 ( 1.776 -0.299 1.245) 2.189 14.174 ( 1.776 0.299 1.245) 2.189 14.261 ( -0.026 -1.968 -0.366) 2.002 14.261 ( -0.026 1.969 -0.366) 2.002 14.329 ( 0.383 -0.214 1.955) 2.004 14.329 ( 0.383 0.214 1.955) 2.004 14.829 ( 3.353 -1.525 -2.887) 4.681 14.829 ( 3.354 1.525 -2.887) 4.681 14.895 ( 3.918 -0.580 1.850) 4.371 14.895 ( 3.918 0.581 1.850) 4.371 15.025 ( 0.098 -1.032 -2.612) 2.810 15.025 ( 0.098 1.032 -2.612) 2.810 15.717 ( 4.343 -3.816 1.077) 5.880 15.717 ( 4.343 3.816 1.076) 5.880 15.907 ( -1.832 -6.558 -0.893) 6.868 15.907 ( -1.832 6.559 -0.893) 6.868 16.325 ( 4.424 -2.887 -1.180) 5.412 16.325 ( 4.424 2.887 -1.180) 5.412 17.055 ( 13.441 -6.787 -4.179) 15.627 17.055 ( 13.441 6.787 -4.179) 15.627 17.684 ( -8.336 -2.746 -4.005) 9.647 17.684 ( -8.335 2.746 -4.005) 9.647 17.866 ( 4.031 -4.087 -1.969) 6.069 17.866 ( 4.031 4.087 -1.969) 6.069 18.574 ( -18.093 -6.390 -6.325) 20.204 18.574 ( -18.093 6.390 -6.325) 20.204 ======================= Grid point 87 (36/90) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 0.000 -6.051 -4.104) 7.311 2.826 ( 0.000 6.051 -4.104) 7.311 3.265 ( -0.000 -8.811 -5.702) 10.495 3.265 ( 0.000 8.811 -5.702) 10.495 3.605 ( 0.000 -3.326 5.586) 6.501 3.605 ( 0.000 3.326 5.586) 6.501 4.241 ( 0.000 -6.020 -3.114) 6.778 4.241 ( 0.000 6.020 -3.114) 6.777 4.698 ( -0.000 -9.048 10.099) 13.559 4.698 ( 0.000 9.047 10.099) 13.559 4.751 ( -0.000 -1.568 7.272) 7.439 4.751 ( 0.000 1.568 7.272) 7.439 4.816 ( 0.000 -12.671 11.284) 16.968 4.816 ( -0.000 12.671 11.284) 16.968 5.425 ( 0.000 -2.400 10.133) 10.413 5.425 ( 0.000 2.400 10.133) 10.413 5.674 ( 0.000 -4.462 -0.375) 4.478 5.674 ( 0.000 4.462 -0.375) 4.478 6.188 ( 0.000 -8.402 0.097) 8.402 6.188 ( 0.000 8.403 0.097) 8.403 6.936 ( 0.000 -0.186 -3.447) 3.452 6.936 ( -0.000 0.186 -3.447) 3.452 7.057 ( -0.000 -0.365 -11.635) 11.641 7.057 ( -0.000 0.365 -11.635) 11.641 7.337 ( -0.000 -0.346 -4.354) 4.368 7.337 ( -0.000 0.346 -4.354) 4.368 7.524 ( 0.000 -0.362 -0.398) 0.538 7.524 ( 0.000 0.362 -0.398) 0.538 7.806 ( -0.000 -0.321 7.786) 7.793 7.806 ( 0.000 0.321 7.786) 7.793 7.938 ( 0.000 -7.535 -0.947) 7.594 7.938 ( -0.000 7.535 -0.947) 7.594 10.310 ( 0.000 -0.646 -10.178) 10.199 10.310 ( 0.000 0.646 -10.178) 10.199 10.554 ( 0.000 -0.303 -12.343) 12.347 10.554 ( 0.000 0.303 -12.343) 12.347 12.104 ( 0.000 -0.247 -0.007) 0.247 12.104 ( 0.000 0.247 -0.007) 0.247 12.183 ( 0.000 -0.446 0.160) 0.474 12.183 ( 0.000 0.446 0.160) 0.474 12.583 ( 0.000 -0.606 2.492) 2.564 12.583 ( 0.000 0.606 2.492) 2.564 12.947 ( -0.000 -0.367 1.250) 1.302 12.947 ( 0.000 0.367 1.250) 1.302 13.064 ( 0.000 -1.677 3.323) 3.723 13.064 ( 0.000 1.677 3.323) 3.723 13.155 ( 0.000 -0.480 4.536) 4.562 13.155 ( 0.000 0.480 4.536) 4.562 13.343 ( 0.000 -1.390 -0.908) 1.660 13.343 ( -0.000 1.390 -0.908) 1.660 13.440 ( 0.000 -0.455 1.660) 1.721 13.440 ( 0.000 0.455 1.660) 1.721 13.488 ( 0.000 -0.630 4.095) 4.143 13.488 ( 0.000 0.630 4.095) 4.143 13.815 ( 0.000 -1.555 4.149) 4.431 13.815 ( -0.000 1.555 4.149) 4.431 13.976 ( 0.000 -1.872 -1.573) 2.445 13.976 ( -0.000 1.872 -1.573) 2.445 14.191 ( 0.000 -0.760 0.534) 0.929 14.191 ( -0.000 0.760 0.534) 0.929 14.259 ( 0.000 -1.372 0.246) 1.394 14.259 ( -0.000 1.372 0.246) 1.394 14.336 ( 0.000 -0.548 1.394) 1.498 14.336 ( -0.000 0.548 1.394) 1.498 14.862 ( 0.000 -1.314 -3.009) 3.283 14.862 ( 0.000 1.314 -3.009) 3.283 14.934 ( -0.000 -0.588 2.408) 2.478 14.934 ( 0.000 0.588 2.408) 2.478 15.026 ( 0.000 -0.504 -3.503) 3.539 15.026 ( 0.000 0.504 -3.503) 3.539 15.768 ( 0.000 -4.559 3.003) 5.459 15.768 ( 0.000 4.559 3.003) 5.459 15.879 ( 0.000 -7.461 -2.148) 7.764 15.879 ( 0.000 7.461 -2.148) 7.764 16.370 ( -0.000 -0.050 -1.290) 1.291 16.370 ( 0.000 0.050 -1.290) 1.291 17.230 ( 0.000 -3.644 -4.489) 5.782 17.230 ( 0.000 3.644 -4.489) 5.782 17.566 ( 0.000 -2.094 -4.386) 4.861 17.566 ( -0.000 2.095 -4.386) 4.861 17.946 ( 0.000 -7.745 -2.702) 8.203 17.946 ( -0.000 7.745 -2.701) 8.203 18.354 ( -0.000 -1.458 -5.330) 5.526 18.354 ( 0.000 1.458 -5.330) 5.526 ======================= Grid point 110 (37/90) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 0.000 0.000 33.976) 33.976 1.803 ( 0.000 0.000 37.801) 37.801 2.701 ( 0.000 0.000 38.728) 38.728 2.826 ( 0.000 0.000 34.290) 34.290 2.866 ( 0.000 0.000 -0.060) 0.060 3.403 ( 0.000 0.000 3.301) 3.301 3.614 ( 0.000 0.000 56.758) 56.758 3.831 ( 0.000 0.000 6.009) 6.009 3.899 ( 0.000 0.000 6.958) 6.958 4.127 ( 0.000 0.000 37.185) 37.185 4.190 ( 0.000 0.000 -6.888) 6.888 4.402 ( 0.000 0.000 -5.140) 5.140 4.426 ( 0.000 0.000 -12.274) 12.274 4.456 ( 0.000 0.000 4.347) 4.347 4.481 ( 0.000 0.000 -6.045) 6.045 5.278 ( 0.000 0.000 4.331) 4.331 6.043 ( 0.000 0.000 -19.841) 19.841 6.142 ( 0.000 0.000 -27.946) 27.946 6.287 ( 0.000 0.000 -20.972) 20.972 6.408 ( 0.000 0.000 -3.678) 3.678 6.545 ( 0.000 0.000 -35.101) 35.101 6.836 ( 0.000 0.000 -15.984) 15.984 7.520 ( 0.000 0.000 1.964) 1.964 7.585 ( 0.000 0.000 14.539) 14.539 7.605 ( 0.000 0.000 18.476) 18.476 7.622 ( 0.000 0.000 0.481) 0.481 7.799 ( 0.000 0.000 11.960) 11.960 7.865 ( 0.000 0.000 7.828) 7.828 8.748 ( 0.000 0.000 -34.985) 34.985 8.749 ( 0.000 0.000 -33.826) 33.826 9.325 ( 0.000 0.000 19.468) 19.468 9.332 ( 0.000 0.000 19.138) 19.138 9.880 ( 0.000 0.000 -14.091) 14.091 9.895 ( 0.000 0.000 -13.000) 13.000 10.384 ( 0.000 0.000 -6.733) 6.733 10.425 ( 0.000 0.000 -6.425) 6.425 12.289 ( 0.000 0.000 0.876) 0.876 12.346 ( 0.000 0.000 1.197) 1.197 12.391 ( 0.000 0.000 9.743) 9.743 12.444 ( 0.000 0.000 -2.972) 2.972 12.468 ( 0.000 0.000 10.830) 10.830 12.486 ( 0.000 0.000 -2.408) 2.408 12.787 ( 0.000 0.000 4.779) 4.779 12.846 ( 0.000 0.000 4.652) 4.652 13.034 ( 0.000 0.000 0.183) 0.183 13.053 ( 0.000 0.000 3.045) 3.045 13.279 ( 0.000 0.000 0.086) 0.086 13.280 ( 0.000 0.000 -1.928) 1.928 13.287 ( 0.000 0.000 -2.647) 2.647 13.390 ( 0.000 0.000 -5.252) 5.252 13.448 ( 0.000 0.000 0.664) 0.664 13.478 ( 0.000 0.000 3.355) 3.355 13.510 ( 0.000 0.000 1.266) 1.266 13.542 ( 0.000 0.000 -4.569) 4.569 13.727 ( 0.000 0.000 -4.699) 4.699 13.813 ( 0.000 0.000 -3.189) 3.189 13.822 ( 0.000 0.000 0.245) 0.245 13.838 ( 0.000 0.000 5.693) 5.693 13.857 ( 0.000 0.000 1.387) 1.387 13.900 ( 0.000 0.000 4.045) 4.045 14.228 ( 0.000 0.000 -1.103) 1.103 14.331 ( 0.000 0.000 -0.940) 0.940 14.367 ( 0.000 0.000 -5.615) 5.615 14.444 ( 0.000 0.000 0.150) 0.150 14.479 ( 0.000 0.000 4.442) 4.442 14.527 ( 0.000 0.000 0.584) 0.584 14.585 ( 0.000 0.000 0.169) 0.169 14.783 ( 0.000 0.000 5.291) 5.291 14.906 ( 0.000 0.000 4.719) 4.719 15.157 ( 0.000 0.000 -2.621) 2.621 15.202 ( 0.000 0.000 -3.131) 3.131 15.431 ( 0.000 0.000 -6.896) 6.896 15.483 ( 0.000 0.000 -2.915) 2.915 15.596 ( 0.000 0.000 3.891) 3.891 16.065 ( 0.000 0.000 -15.892) 15.892 16.193 ( 0.000 0.000 -8.509) 8.509 16.514 ( 0.000 0.000 18.043) 18.043 16.986 ( 0.000 0.000 0.902) 0.902 17.428 ( 0.000 0.000 30.490) 30.490 17.876 ( 0.000 0.000 10.038) 10.038 18.310 ( 0.000 0.000 -33.167) 33.167 18.520 ( 0.000 0.000 -17.615) 17.615 18.870 ( 0.000 0.000 -11.932) 11.932 19.829 ( 0.000 0.000 -25.251) 25.251 ======================= Grid point 111 (38/90) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 18.869 0.000 31.421) 36.652 1.909 ( 10.464 0.000 31.020) 32.738 2.843 ( -1.838 0.000 0.481) 1.900 2.900 ( 17.419 0.000 31.943) 36.384 2.950 ( 13.737 0.000 31.005) 33.912 3.296 ( -8.869 0.000 -0.231) 8.872 3.732 ( 0.951 0.000 10.365) 10.408 3.930 ( 19.629 0.000 43.857) 48.049 4.023 ( 8.832 0.000 7.521) 11.601 4.219 ( 6.417 0.000 16.652) 17.846 4.280 ( 9.248 0.000 1.304) 9.339 4.345 ( -2.417 0.000 -4.397) 5.017 4.476 ( 5.171 0.000 -13.596) 14.547 4.536 ( 3.758 0.000 -3.168) 4.915 4.599 ( 16.539 0.000 21.080) 26.793 5.279 ( -0.159 0.000 4.052) 4.055 6.009 ( -4.525 0.000 -12.908) 13.678 6.120 ( -1.972 0.000 -26.168) 26.242 6.250 ( 0.628 0.000 -20.328) 20.338 6.479 ( 4.970 0.000 -5.917) 7.727 6.509 ( -3.289 0.000 -33.228) 33.390 6.786 ( -4.767 0.000 -15.360) 16.083 7.389 ( -13.156 0.000 2.150) 13.331 7.497 ( -11.860 0.000 1.823) 12.000 7.501 ( -8.944 0.000 18.210) 20.288 7.527 ( -8.651 0.000 19.610) 21.434 7.746 ( -4.675 0.000 6.770) 8.227 7.833 ( -2.837 0.000 3.998) 4.902 8.796 ( 1.431 0.000 -23.506) 23.549 8.811 ( 2.415 0.000 -24.467) 24.586 9.127 ( -13.188 0.000 3.063) 13.539 9.141 ( -12.119 0.000 2.070) 12.295 10.004 ( 9.346 0.000 -8.599) 12.700 10.030 ( 9.759 0.000 -7.943) 12.583 10.281 ( -10.406 0.000 -5.408) 11.728 10.321 ( -10.625 0.000 -5.311) 11.878 12.223 ( -3.918 0.000 2.566) 4.684 12.271 ( -4.702 0.000 2.665) 5.405 12.427 ( -1.822 0.000 -3.068) 3.568 12.464 ( -2.297 0.000 -2.619) 3.484 12.490 ( 7.611 0.000 7.676) 10.810 12.577 ( 7.003 0.000 6.714) 9.701 12.784 ( 0.004 0.000 5.201) 5.201 12.842 ( 0.308 0.000 5.058) 5.067 13.034 ( 0.235 0.000 0.390) 0.455 13.064 ( 0.699 0.000 1.596) 1.742 13.247 ( -2.623 0.000 -0.476) 2.666 13.283 ( -0.447 0.000 0.190) 0.485 13.350 ( 5.680 0.000 0.433) 5.696 13.375 ( -1.254 0.000 -5.648) 5.786 13.458 ( -1.663 0.000 2.769) 3.230 13.501 ( -3.898 0.000 -4.929) 6.284 13.522 ( 2.006 0.000 1.606) 2.569 13.561 ( 9.918 0.000 0.816) 9.951 13.681 ( -2.083 0.000 -0.311) 2.106 13.774 ( -1.407 0.000 0.509) 1.496 13.869 ( 2.878 0.000 4.283) 5.160 13.886 ( 2.718 0.000 1.618) 3.163 13.933 ( 7.740 0.000 -2.453) 8.120 14.000 ( 7.029 0.000 -0.658) 7.060 14.215 ( -1.241 0.000 -0.534) 1.351 14.322 ( -0.965 0.000 -0.552) 1.112 14.381 ( 1.355 0.000 -5.213) 5.386 14.450 ( -2.370 0.000 4.299) 4.909 14.462 ( 2.044 0.000 -0.029) 2.044 14.549 ( 2.424 0.000 -0.106) 2.426 14.621 ( 3.473 0.000 1.251) 3.692 14.734 ( -4.245 0.000 1.915) 4.657 14.917 ( 2.009 0.000 6.799) 7.090 15.171 ( 0.280 0.000 -1.760) 1.782 15.232 ( 3.072 0.000 -3.443) 4.614 15.476 ( 4.691 0.000 -6.944) 8.380 15.526 ( 4.307 0.000 -2.997) 5.247 15.667 ( 7.209 0.000 2.775) 7.724 15.971 ( -7.024 0.000 -12.835) 14.631 16.258 ( 3.970 0.000 -8.210) 9.119 16.512 ( -0.257 0.000 16.877) 16.879 17.018 ( 3.203 0.000 0.644) 3.267 17.441 ( 0.974 0.000 25.119) 25.138 17.880 ( 0.378 0.000 9.325) 9.333 18.191 ( -11.188 0.000 -28.447) 30.568 18.448 ( -7.287 0.000 -17.245) 18.721 18.812 ( -5.713 0.000 -11.371) 12.726 19.699 ( -12.613 0.000 -22.916) 26.158 ======================= Grid point 112 (39/90) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 31.591 0.000 26.519) 41.246 2.167 ( 14.182 0.000 16.706) 21.914 2.817 ( -0.493 0.000 0.301) 0.577 3.114 ( -8.689 0.000 -3.474) 9.358 3.286 ( 18.043 0.000 11.010) 21.137 3.338 ( 25.899 0.000 29.393) 39.176 3.796 ( 7.725 0.000 8.727) 11.655 4.056 ( -5.360 0.000 0.048) 5.360 4.149 ( 4.744 0.000 7.969) 9.274 4.418 ( 5.299 0.000 -3.122) 6.150 4.428 ( 8.056 0.000 2.354) 8.393 4.605 ( 13.232 0.000 -5.892) 14.485 4.634 ( 8.171 0.000 3.365) 8.837 4.690 ( 28.764 0.000 25.396) 38.372 5.129 ( 35.986 0.000 33.450) 49.131 5.254 ( -3.157 0.000 3.541) 4.744 5.928 ( 0.149 0.000 0.920) 0.932 6.078 ( -2.053 0.000 -19.839) 19.945 6.346 ( 8.192 0.000 -20.132) 21.735 6.441 ( -3.019 0.000 -27.182) 27.349 6.584 ( 5.753 0.000 -5.487) 7.951 6.670 ( -6.381 0.000 -14.744) 16.065 7.039 ( -20.800 0.000 3.132) 21.035 7.201 ( -17.198 0.000 2.852) 17.433 7.227 ( -18.719 0.000 20.824) 28.001 7.254 ( -18.683 0.000 21.009) 28.115 7.641 ( -5.852 0.000 -1.726) 6.101 7.769 ( -3.648 0.000 -2.600) 4.480 8.527 ( -24.649 0.000 6.514) 25.495 8.540 ( -24.559 0.000 6.808) 25.485 9.182 ( 13.843 0.000 -32.052) 34.914 9.197 ( 13.770 0.000 -31.191) 34.095 9.979 ( -20.312 0.000 -1.757) 20.388 10.011 ( -20.936 0.000 -2.052) 21.036 10.171 ( 6.934 0.000 -7.818) 10.450 10.198 ( 6.767 0.000 -7.507) 10.106 12.160 ( -2.499 0.000 1.796) 3.078 12.195 ( -3.026 0.000 1.980) 3.616 12.368 ( -4.122 0.000 -2.865) 5.020 12.397 ( -4.397 0.000 -2.594) 5.106 12.635 ( 5.424 0.000 4.958) 7.349 12.667 ( 1.993 0.000 3.655) 4.163 12.803 ( 2.780 0.000 6.650) 7.208 12.902 ( 6.174 0.000 6.751) 9.149 13.041 ( -0.011 0.000 -0.161) 0.161 13.073 ( 0.095 0.000 -0.138) 0.168 13.190 ( -2.548 0.000 1.013) 2.742 13.273 ( -1.348 0.000 2.320) 2.683 13.349 ( -0.770 0.000 -1.693) 1.860 13.406 ( -1.042 0.000 0.724) 1.269 13.423 ( -0.966 0.000 2.375) 2.563 13.438 ( -1.189 0.000 -1.312) 1.770 13.631 ( 8.397 0.000 1.761) 8.580 13.654 ( -0.978 0.000 1.139) 1.501 13.761 ( -0.510 0.000 0.807) 0.955 13.775 ( 10.207 0.000 1.338) 10.294 13.933 ( 2.988 0.000 0.054) 2.989 13.944 ( 2.696 0.000 2.551) 3.712 14.071 ( 5.577 0.000 -2.299) 6.032 14.127 ( 5.417 0.000 -1.835) 5.719 14.187 ( -1.226 0.000 0.924) 1.535 14.294 ( -1.662 0.000 0.545) 1.749 14.375 ( -2.105 0.000 0.056) 2.105 14.439 ( 0.729 0.000 -0.497) 0.883 14.529 ( 4.753 0.000 -0.799) 4.820 14.626 ( 5.259 0.000 -1.689) 5.523 14.657 ( -0.260 0.000 1.521) 1.543 14.735 ( 6.239 0.000 -0.202) 6.242 14.967 ( 2.197 0.000 5.650) 6.062 15.150 ( -2.115 0.000 -0.350) 2.143 15.322 ( 6.020 0.000 -3.730) 7.082 15.603 ( 7.471 0.000 -5.036) 9.010 15.656 ( 9.055 0.000 -3.144) 9.586 15.827 ( -7.185 0.000 -9.528) 11.933 15.883 ( 15.077 0.000 -2.507) 15.284 16.305 ( 0.308 0.000 -3.131) 3.147 16.501 ( -0.868 0.000 13.697) 13.724 17.104 ( 5.256 0.000 -0.069) 5.256 17.457 ( 0.755 0.000 14.119) 14.139 17.889 ( 0.539 0.000 7.320) 7.340 17.927 ( -14.216 0.000 -18.204) 23.097 18.242 ( -13.330 0.000 -16.220) 20.995 18.658 ( -9.481 0.000 -9.507) 13.426 19.370 ( -19.970 0.000 -18.636) 27.315 ======================= Grid point 113 (40/90) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 38.041 0.000 20.592) 43.257 2.415 ( 10.527 0.000 5.042) 11.672 2.821 ( 0.692 0.000 -0.974) 1.195 2.984 ( -4.012 0.000 -5.620) 6.906 3.498 ( 3.660 0.000 -8.581) 9.329 3.921 ( -7.042 0.000 1.898) 7.293 3.926 ( 31.619 0.000 24.866) 40.225 4.074 ( 18.824 0.000 10.994) 21.799 4.281 ( 10.852 0.000 11.661) 15.929 4.494 ( -0.459 0.000 1.479) 1.548 4.510 ( 4.790 0.000 0.560) 4.823 4.822 ( 11.003 0.000 -13.180) 17.169 4.901 ( 16.841 0.000 8.681) 18.946 5.108 ( -13.098 0.000 4.081) 13.719 5.142 ( 11.225 0.000 9.391) 14.635 5.922 ( 41.371 0.000 24.675) 48.171 6.033 ( -3.128 0.000 -7.660) 8.274 6.168 ( 23.331 0.000 13.715) 27.064 6.394 ( -2.954 0.000 -13.913) 14.223 6.545 ( 10.520 0.000 -9.346) 14.072 6.571 ( -4.046 0.000 -14.688) 15.235 6.665 ( -12.714 0.000 0.036) 12.714 6.681 ( -1.759 0.000 3.771) 4.161 6.800 ( -21.601 0.000 18.810) 28.643 6.869 ( -11.615 0.000 12.825) 17.303 6.875 ( -14.446 0.000 -0.413) 14.452 7.515 ( -6.955 0.000 -8.082) 10.663 7.691 ( -3.986 0.000 -8.598) 9.477 8.004 ( -27.181 0.000 3.091) 27.356 8.023 ( -26.949 0.000 3.491) 27.174 9.488 ( -29.748 0.000 3.498) 29.953 9.496 ( 16.898 0.000 -29.838) 34.291 9.508 ( -29.835 0.000 3.008) 29.987 9.511 ( 16.803 0.000 -29.469) 33.923 10.262 ( 2.192 0.000 -11.020) 11.236 10.283 ( 1.638 0.000 -10.918) 11.041 12.123 ( -1.369 0.000 0.951) 1.667 12.150 ( -1.637 0.000 1.196) 2.028 12.278 ( -4.702 0.000 -1.930) 5.083 12.304 ( -4.640 0.000 -1.695) 4.940 12.660 ( -0.623 0.000 3.436) 3.492 12.690 ( -0.182 0.000 3.385) 3.390 12.920 ( 7.892 0.000 7.416) 10.829 13.013 ( -2.756 0.000 -1.392) 3.088 13.043 ( 7.160 0.000 6.053) 9.376 13.053 ( -2.449 0.000 -1.778) 3.026 13.175 ( 1.110 0.000 3.120) 3.311 13.242 ( -0.457 0.000 3.813) 3.840 13.365 ( -2.264 0.000 1.225) 2.574 13.366 ( 1.934 0.000 2.041) 2.812 13.404 ( -1.328 0.000 0.965) 1.642 13.449 ( 1.619 0.000 1.628) 2.296 13.630 ( -1.670 0.000 2.754) 3.221 13.739 ( -1.874 0.000 1.850) 2.634 13.782 ( 5.977 0.000 2.576) 6.509 13.919 ( 4.240 0.000 3.238) 5.335 13.956 ( -0.684 0.000 -2.537) 2.627 13.990 ( 1.669 0.000 1.286) 2.107 14.133 ( 0.862 0.000 -0.677) 1.096 14.190 ( 1.927 0.000 1.549) 2.472 14.213 ( 3.525 0.000 -1.051) 3.678 14.267 ( -0.839 0.000 1.711) 1.906 14.350 ( -0.152 0.000 0.789) 0.803 14.411 ( -3.014 0.000 -1.095) 3.206 14.639 ( 5.942 0.000 -1.868) 6.229 14.722 ( 5.784 0.000 -0.699) 5.827 14.734 ( 5.163 0.000 -3.539) 6.259 14.877 ( 6.980 0.000 0.910) 7.039 14.983 ( -0.336 0.000 3.556) 3.572 15.111 ( -1.205 0.000 1.428) 1.868 15.458 ( 7.229 0.000 -2.817) 7.758 15.705 ( -4.905 0.000 -5.863) 7.644 15.762 ( 8.742 0.000 -4.249) 9.720 15.857 ( 10.884 0.000 -1.136) 10.943 16.260 ( 22.589 0.000 -10.153) 24.765 16.262 ( -4.567 0.000 2.359) 5.140 16.477 ( -1.522 0.000 9.455) 9.577 17.212 ( 5.408 0.000 -1.077) 5.514 17.470 ( -0.087 0.000 1.359) 1.361 17.689 ( -8.595 0.000 -6.710) 10.904 17.895 ( -2.099 0.000 2.171) 3.020 17.948 ( -13.746 0.000 -12.562) 18.621 18.463 ( -9.913 0.000 -7.298) 12.309 18.944 ( -22.887 0.000 -15.562) 27.677 ======================= Grid point 114 (41/90) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 5.529 0.000 -0.708) 5.574 2.828 ( 1.284 0.000 -3.552) 3.777 2.902 ( 0.790 0.000 -7.738) 7.778 3.203 ( 37.699 0.000 15.168) 40.636 3.505 ( -1.210 0.000 -15.426) 15.473 3.809 ( -4.001 0.000 6.834) 7.919 4.274 ( 5.887 0.000 7.273) 9.357 4.441 ( 8.374 0.000 4.257) 9.394 4.455 ( -3.110 0.000 2.750) 4.151 4.683 ( 30.231 0.000 20.196) 36.357 4.695 ( -27.551 0.000 8.470) 28.824 4.733 ( 20.129 0.000 10.993) 22.935 5.041 ( 12.559 0.000 -3.140) 12.946 5.227 ( 0.979 0.000 0.664) 1.183 5.245 ( 16.694 0.000 7.698) 18.384 5.933 ( -7.773 0.000 3.511) 8.529 6.130 ( -27.404 0.000 17.709) 32.628 6.181 ( -26.770 0.000 18.182) 32.361 6.248 ( -8.419 0.000 4.112) 9.369 6.483 ( -3.271 0.000 -3.014) 4.448 6.594 ( 14.478 0.000 -8.070) 16.575 6.665 ( 9.868 0.000 -12.072) 15.592 6.684 ( 7.817 0.000 -11.863) 14.207 6.724 ( 1.821 0.000 -10.483) 10.640 7.085 ( 30.649 0.000 14.965) 34.107 7.148 ( 32.374 0.000 15.120) 35.731 7.388 ( -3.762 0.000 -11.046) 11.669 7.502 ( -22.878 0.000 -3.387) 23.127 7.522 ( -22.955 0.000 -2.427) 23.083 7.658 ( 4.359 0.000 -7.947) 9.064 8.814 ( -38.543 0.000 9.726) 39.751 8.860 ( -35.926 0.000 9.044) 37.047 9.810 ( 14.260 0.000 -24.470) 28.322 9.822 ( 14.220 0.000 -24.717) 28.516 10.252 ( -3.268 0.000 -16.216) 16.542 10.260 ( -3.754 0.000 -16.363) 16.788 12.104 ( -0.600 0.000 0.446) 0.747 12.128 ( -0.697 0.000 0.852) 1.101 12.199 ( -2.978 0.000 -0.790) 3.081 12.228 ( -2.872 0.000 -0.493) 2.914 12.645 ( -0.640 0.000 3.843) 3.896 12.678 ( -0.650 0.000 3.823) 3.878 12.958 ( -2.245 0.000 -1.272) 2.580 12.996 ( -2.579 0.000 -1.597) 3.034 13.063 ( 5.893 0.000 6.429) 8.721 13.162 ( 4.620 0.000 5.165) 6.929 13.210 ( 1.817 0.000 3.916) 4.317 13.254 ( 1.005 0.000 4.299) 4.415 13.326 ( -1.551 0.000 0.986) 1.838 13.376 ( -1.400 0.000 0.237) 1.420 13.410 ( 2.417 0.000 2.576) 3.532 13.482 ( 1.009 0.000 1.256) 1.611 13.596 ( -1.001 0.000 6.019) 6.101 13.687 ( -3.255 0.000 3.804) 5.007 13.857 ( 2.076 0.000 2.701) 3.406 13.921 ( -2.168 0.000 -1.444) 2.605 13.965 ( 1.252 0.000 3.747) 3.950 14.001 ( -0.402 0.000 1.236) 1.300 14.128 ( -0.710 0.000 0.300) 0.771 14.243 ( 2.625 0.000 0.519) 2.676 14.265 ( 1.710 0.000 -0.312) 1.738 14.265 ( 0.414 0.000 1.848) 1.894 14.348 ( -1.512 0.000 0.197) 1.525 14.368 ( 0.169 0.000 0.042) 0.174 14.739 ( 3.826 0.000 -2.416) 4.525 14.813 ( 2.729 0.000 -5.369) 6.023 14.826 ( 3.861 0.000 -1.677) 4.209 14.932 ( -0.628 0.000 -3.299) 3.358 14.996 ( 0.910 0.000 4.810) 4.895 15.137 ( 3.999 0.000 8.358) 9.265 15.576 ( 4.319 0.000 -1.353) 4.526 15.642 ( -1.623 0.000 -3.209) 3.596 15.918 ( 6.054 0.000 0.293) 6.061 16.077 ( 10.968 0.000 -6.077) 12.539 16.148 ( -6.041 0.000 3.406) 6.935 16.448 ( -1.266 0.000 5.785) 5.922 16.706 ( 20.499 0.000 -13.731) 24.673 17.305 ( 4.000 0.000 -2.313) 4.620 17.421 ( -3.766 0.000 -5.351) 6.544 17.613 ( -14.979 0.000 -12.138) 19.280 17.631 ( 1.191 0.000 -0.676) 1.370 17.944 ( 3.418 0.000 -0.160) 3.422 18.292 ( -6.897 0.000 -5.791) 9.006 18.497 ( -21.815 0.000 -13.353) 25.577 ======================= Grid point 115 (42/90) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 0.000 0.000 -2.251) 2.251 2.847 ( 0.000 0.000 -5.307) 5.307 2.891 ( 0.000 0.000 -9.371) 9.371 3.489 ( 0.000 0.000 -17.023) 17.023 3.762 ( 0.000 0.000 9.367) 9.367 3.854 ( -0.000 0.000 9.963) 9.963 4.138 ( 0.000 0.000 13.666) 13.666 4.328 ( 0.000 0.000 6.891) 6.891 4.443 ( 0.000 0.000 3.999) 3.999 4.494 ( 0.000 0.000 0.614) 0.614 4.955 ( -0.000 0.000 -1.355) 1.355 5.110 ( 0.000 0.000 10.345) 10.345 5.283 ( -0.000 0.000 11.854) 11.854 5.328 ( 0.000 0.000 17.478) 17.478 5.472 ( 0.000 0.000 6.109) 6.109 5.672 ( 0.000 0.000 16.652) 16.652 5.753 ( -0.000 0.000 14.769) 14.769 5.787 ( -0.000 0.000 9.039) 9.039 6.173 ( 0.000 0.000 5.469) 5.469 6.433 ( 0.000 0.000 -1.344) 1.344 6.728 ( -0.000 0.000 -17.734) 17.734 6.767 ( -0.000 0.000 -13.307) 13.307 6.822 ( 0.000 0.000 -7.342) 7.342 6.826 ( 0.000 0.000 -7.701) 7.701 7.218 ( 0.000 0.000 -9.714) 9.714 7.228 ( -0.000 0.000 -8.457) 8.457 7.264 ( 0.000 0.000 -15.468) 15.468 7.386 ( -0.000 0.000 -9.582) 9.582 7.949 ( -0.000 0.000 17.582) 17.582 8.043 ( 0.000 0.000 15.356) 15.356 8.064 ( 0.000 0.000 15.798) 15.798 8.179 ( -0.000 0.000 10.220) 10.220 9.989 ( 0.000 0.000 -18.373) 18.373 10.010 ( -0.000 0.000 -19.157) 19.157 10.172 ( 0.000 0.000 -22.278) 22.278 10.189 ( -0.000 0.000 -22.212) 22.212 12.098 ( 0.000 0.000 0.285) 0.285 12.121 ( 0.000 0.000 0.781) 0.781 12.169 ( 0.000 0.000 -0.289) 0.289 12.199 ( 0.000 0.000 0.045) 0.045 12.639 ( 0.000 0.000 4.035) 4.035 12.671 ( 0.000 0.000 4.038) 4.038 12.935 ( -0.000 0.000 -1.159) 1.159 12.969 ( 0.000 0.000 -1.233) 1.233 13.126 ( 0.000 0.000 6.113) 6.113 13.210 ( 0.000 0.000 4.842) 4.842 13.230 ( 0.000 0.000 4.090) 4.090 13.265 ( 0.000 0.000 3.999) 3.999 13.310 ( 0.000 0.000 1.086) 1.086 13.358 ( 0.000 0.000 -0.404) 0.404 13.452 ( -0.000 0.000 0.998) 0.998 13.470 ( 0.000 0.000 2.657) 2.657 13.619 ( 0.000 0.000 5.842) 5.842 13.623 ( -0.000 0.000 6.274) 6.274 13.879 ( 0.000 0.000 2.836) 2.836 13.893 ( -0.000 0.000 -1.506) 1.506 13.984 ( 0.000 0.000 5.461) 5.461 13.987 ( -0.000 0.000 0.466) 0.466 14.120 ( 0.000 0.000 0.434) 0.434 14.270 ( 0.000 0.000 1.937) 1.937 14.272 ( -0.000 0.000 -0.211) 0.211 14.281 ( 0.000 0.000 -0.291) 0.291 14.329 ( 0.000 0.000 0.821) 0.821 14.375 ( 0.000 0.000 0.063) 0.063 14.778 ( 0.000 0.000 -2.355) 2.355 14.840 ( 0.000 0.000 -6.321) 6.321 14.860 ( -0.000 0.000 -2.676) 2.676 14.924 ( 0.000 0.000 -3.392) 3.392 15.002 ( -0.000 0.000 4.521) 4.521 15.192 ( 0.000 0.000 12.876) 12.876 15.619 ( -0.000 0.000 -0.925) 0.925 15.630 ( 0.000 0.000 -2.343) 2.343 15.978 ( 0.000 0.000 2.878) 2.878 16.077 ( 0.000 0.000 1.994) 1.994 16.208 ( 0.000 0.000 -9.354) 9.354 16.434 ( 0.000 0.000 4.362) 4.362 16.938 ( 0.000 0.000 -14.094) 14.094 17.369 ( 0.000 0.000 -2.192) 2.192 17.379 ( 0.000 0.000 -4.348) 4.348 17.421 ( -0.000 0.000 -11.608) 11.608 17.653 ( 0.000 0.000 -1.746) 1.746 18.041 ( 0.000 0.000 -3.468) 3.468 18.191 ( -0.000 0.000 -11.500) 11.500 18.219 ( 0.000 0.000 -5.265) 5.265 ======================= Grid point 121 (43/90) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 42.890 17.414) 46.290 1.927 ( 0.000 11.766 36.014) 37.887 2.603 ( 0.000 -16.409 33.748) 37.526 2.735 ( 0.000 -12.371 5.908) 13.710 2.795 ( 0.000 7.986 34.432) 35.346 3.519 ( 0.000 8.310 4.833) 9.613 3.635 ( 0.000 -11.946 14.181) 18.542 3.718 ( 0.000 -6.599 35.676) 36.282 3.851 ( 0.000 1.425 18.221) 18.276 4.098 ( 0.000 -4.267 46.256) 46.452 4.188 ( 0.000 0.659 -7.534) 7.563 4.281 ( 0.000 -6.644 -4.291) 7.909 4.377 ( 0.000 -1.202 -8.235) 8.322 4.435 ( 0.000 -1.986 3.304) 3.855 4.625 ( 0.000 10.819 -11.517) 15.802 5.147 ( 0.000 -11.394 -1.513) 11.494 6.139 ( 0.000 6.793 -17.998) 19.237 6.168 ( 0.000 2.235 -29.586) 29.671 6.283 ( 0.000 -0.267 -25.064) 25.065 6.385 ( 0.000 -2.387 -5.767) 6.242 6.640 ( 0.000 7.972 -29.102) 30.174 6.839 ( 0.000 -0.396 -18.612) 18.616 7.526 ( 0.000 0.670 3.475) 3.539 7.582 ( 0.000 -1.638 10.312) 10.441 7.600 ( 0.000 1.307 13.174) 13.238 7.633 ( 0.000 0.331 7.871) 7.878 7.806 ( 0.000 0.732 11.226) 11.250 7.854 ( 0.000 -1.085 8.203) 8.274 8.749 ( 0.000 0.043 -34.767) 34.767 8.749 ( 0.000 0.028 -33.955) 33.955 9.327 ( 0.000 0.123 19.387) 19.387 9.331 ( 0.000 -0.065 19.163) 19.163 9.882 ( 0.000 0.216 -13.924) 13.926 9.893 ( 0.000 -0.198 -13.154) 13.156 10.390 ( 0.000 0.590 -6.694) 6.720 10.419 ( 0.000 -0.564 -6.474) 6.498 12.298 ( 0.000 0.843 0.837) 1.188 12.339 ( 0.000 -0.713 0.845) 1.105 12.404 ( 0.000 1.212 10.097) 10.169 12.448 ( 0.000 0.364 -1.849) 1.884 12.460 ( 0.000 -0.774 9.678) 9.709 12.479 ( 0.000 -0.658 -2.444) 2.531 12.794 ( 0.000 0.681 4.648) 4.698 12.835 ( 0.000 -0.972 4.577) 4.679 13.025 ( 0.000 -0.542 0.892) 1.044 13.041 ( 0.000 -0.974 2.748) 2.915 13.281 ( 0.000 0.080 -2.030) 2.032 13.284 ( 0.000 0.036 -2.678) 2.679 13.320 ( 0.000 3.105 0.038) 3.105 13.410 ( 0.000 2.003 -5.274) 5.641 13.429 ( 0.000 -1.803 0.291) 1.826 13.481 ( 0.000 0.369 2.805) 2.829 13.506 ( 0.000 -0.402 1.541) 1.592 13.527 ( 0.000 -1.729 -4.619) 4.932 13.728 ( 0.000 0.208 -4.055) 4.060 13.777 ( 0.000 -2.200 -0.942) 2.393 13.827 ( 0.000 0.644 0.293) 0.707 13.857 ( 0.000 -0.124 1.080) 1.087 13.865 ( 0.000 1.306 3.064) 3.331 13.894 ( 0.000 -0.520 3.910) 3.944 14.239 ( 0.000 1.070 -1.040) 1.492 14.305 ( 0.000 -1.828 -1.421) 2.315 14.397 ( 0.000 2.228 -5.044) 5.515 14.446 ( 0.000 0.449 -0.245) 0.512 14.508 ( 0.000 0.373 -2.425) 2.454 14.515 ( 0.000 -1.007 0.385) 1.078 14.603 ( 0.000 3.764 6.645) 7.637 14.778 ( 0.000 -0.838 4.168) 4.251 14.910 ( 0.000 0.573 6.009) 6.036 15.076 ( 0.000 -6.972 3.579) 7.837 15.241 ( 0.000 3.707 -3.129) 4.851 15.412 ( 0.000 -2.346 -6.223) 6.650 15.495 ( 0.000 1.069 -2.215) 2.459 15.565 ( 0.000 -2.442 2.810) 3.723 16.077 ( 0.000 1.157 -14.935) 14.979 16.162 ( 0.000 -2.535 -9.364) 9.701 16.570 ( 0.000 5.336 17.253) 18.059 16.885 ( 0.000 -8.198 8.147) 11.558 17.530 ( 0.000 8.260 22.744) 24.197 17.830 ( 0.000 -4.538 11.323) 12.198 18.320 ( 0.000 0.990 -32.169) 32.185 18.429 ( 0.000 -5.215 -22.369) 22.969 19.111 ( 0.000 18.510 -15.921) 24.415 19.740 ( 0.000 -8.856 -24.809) 26.343 ======================= Grid point 122 (44/90) ======================= q-point: ( 0.10 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 10.624 37.599 18.905) 43.404 2.019 ( 9.305 10.458 29.762) 32.890 2.624 ( 3.228 -15.671 22.632) 27.716 2.832 ( 7.083 -13.591 6.852) 16.788 2.999 ( 18.064 8.413 24.822) 31.832 3.373 ( -5.401 5.431 13.710) 15.704 3.699 ( 0.606 -3.523 8.293) 9.030 3.883 ( 14.623 -14.003 19.288) 27.963 4.014 ( 13.830 3.205 25.979) 29.605 4.149 ( -1.519 -4.918 4.991) 7.169 4.266 ( 6.509 -0.567 2.593) 7.029 4.307 ( 10.528 1.205 18.164) 21.029 4.417 ( 3.805 -2.578 -6.590) 8.035 4.557 ( 15.276 -4.022 20.061) 25.534 4.674 ( 4.564 10.829 -10.919) 16.041 5.165 ( 1.538 -10.116 -0.861) 10.269 6.090 ( -5.246 5.191 -16.100) 17.711 6.138 ( -3.114 1.456 -25.437) 25.668 6.274 ( 1.979 2.543 -20.377) 20.630 6.428 ( 2.698 -3.213 -11.324) 12.076 6.599 ( -3.123 6.472 -25.009) 26.021 6.779 ( -5.479 -1.106 -17.176) 18.063 7.400 ( -12.715 1.149 2.714) 13.052 7.470 ( -11.113 -1.692 6.531) 13.001 7.521 ( -9.438 0.875 13.965) 16.878 7.531 ( -9.297 0.302 18.328) 20.553 7.757 ( -4.338 1.073 6.174) 7.621 7.819 ( -3.038 -1.316 4.200) 5.349 8.799 ( 1.574 0.249 -23.620) 23.673 8.810 ( 2.265 -0.174 -24.282) 24.388 9.129 ( -13.037 0.215 2.893) 13.356 9.139 ( -12.280 -0.172 2.194) 12.476 10.008 ( 9.402 0.365 -8.494) 12.676 10.026 ( 9.694 -0.347 -8.031) 12.594 10.287 ( -10.440 0.561 -5.402) 11.768 10.315 ( -10.594 -0.541 -5.332) 11.873 12.230 ( -4.057 0.674 2.572) 4.851 12.264 ( -4.611 -0.660 2.642) 5.355 12.432 ( -1.879 0.438 -2.979) 3.550 12.458 ( -2.199 -0.589 -2.638) 3.484 12.506 ( 7.572 1.422 7.487) 10.743 12.567 ( 7.180 -0.971 6.829) 9.956 12.790 ( -0.086 0.614 5.073) 5.111 12.831 ( 0.145 -1.025 4.975) 5.081 13.033 ( 0.637 -0.031 0.718) 0.961 13.054 ( 0.908 -0.839 1.602) 2.024 13.253 ( -2.174 0.528 -0.117) 2.240 13.275 ( -0.605 -0.538 0.241) 0.845 13.375 ( 2.162 1.575 -2.493) 3.657 13.398 ( 0.666 2.486 -3.265) 4.158 13.452 ( -1.185 -0.778 0.551) 1.521 13.485 ( -2.601 -0.932 -2.700) 3.863 13.518 ( 2.386 -0.321 1.706) 2.951 13.551 ( 8.139 -1.142 0.205) 8.222 13.689 ( -1.677 0.782 -0.200) 1.861 13.751 ( -0.907 -1.909 0.554) 2.185 13.873 ( 2.688 0.179 3.000) 4.032 13.882 ( 2.710 -0.214 1.605) 3.156 13.948 ( 7.399 1.301 -1.460) 7.653 13.994 ( 7.172 -0.608 -0.725) 7.234 14.225 ( -1.325 0.991 -0.581) 1.754 14.294 ( -1.114 -2.039 -0.963) 2.515 14.411 ( 1.286 2.214 -4.414) 5.103 14.452 ( -0.199 0.391 0.400) 0.594 14.491 ( -0.047 1.630 1.276) 2.070 14.540 ( 2.335 -0.955 -0.827) 2.654 14.624 ( 2.343 1.089 2.945) 3.917 14.723 ( -4.368 -1.300 1.832) 4.912 14.934 ( 2.735 1.849 7.427) 8.128 15.105 ( 1.595 -5.248 2.636) 6.086 15.278 ( 3.261 3.631 -3.997) 6.308 15.446 ( 3.622 -3.060 -6.149) 7.765 15.540 ( 4.524 1.474 -2.173) 5.230 15.637 ( 6.951 -2.599 1.809) 7.639 16.013 ( -4.354 3.970 -12.392) 13.721 16.214 ( 3.246 -4.082 -9.094) 10.483 16.571 ( 0.086 5.655 16.053) 17.021 16.908 ( 2.284 -8.895 7.226) 11.686 17.541 ( 0.923 7.995 19.048) 20.679 17.834 ( 0.378 -4.512 10.281) 11.234 18.206 ( -10.680 1.484 -27.554) 29.589 18.348 ( -7.859 -6.107 -20.129) 22.456 19.032 ( -7.736 16.869 -14.671) 23.656 19.614 ( -12.176 -8.410 -22.288) 26.753 ======================= Grid point 123 (45/90) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 22.158 24.695 19.663) 38.567 2.252 ( 12.957 8.153 15.912) 22.080 2.700 ( 3.587 -10.355 7.620) 13.347 2.920 ( 0.566 -15.645 0.571) 15.666 3.382 ( 18.309 8.806 8.391) 21.981 3.472 ( 17.276 9.048 24.426) 31.256 3.770 ( 7.697 -2.542 9.233) 12.286 4.030 ( -6.700 -2.942 -2.411) 7.704 4.125 ( 3.435 -3.028 6.574) 8.012 4.198 ( 13.143 -16.429 5.768) 21.816 4.420 ( 5.089 0.371 -2.979) 5.908 4.517 ( 6.486 -4.610 -1.151) 8.040 4.781 ( 15.818 10.680 6.939) 20.308 4.804 ( 26.163 8.126 20.159) 34.014 5.083 ( 35.453 -4.499 33.168) 48.757 5.192 ( 1.023 -6.156 1.806) 6.497 5.989 ( -2.239 4.568 -4.968) 7.110 6.079 ( -2.418 -0.093 -18.672) 18.828 6.358 ( 5.456 1.334 -18.540) 19.372 6.438 ( -2.029 -0.782 -20.361) 20.476 6.586 ( 2.498 0.673 -11.199) 11.494 6.657 ( -6.059 -1.341 -15.300) 16.510 7.068 ( -19.206 2.582 3.585) 19.707 7.177 ( -17.359 -1.942 5.416) 18.287 7.242 ( -18.474 0.888 18.747) 26.335 7.257 ( -18.414 0.152 19.994) 27.182 7.660 ( -5.440 1.754 -1.869) 6.013 7.750 ( -3.876 -1.751 -2.523) 4.945 8.529 ( -24.658 0.211 6.551) 25.514 8.539 ( -24.585 -0.163 6.758) 25.498 9.184 ( 13.814 0.215 -31.905) 34.768 9.195 ( 13.765 -0.209 -31.296) 34.190 9.983 ( -20.389 0.426 -1.797) 20.472 10.006 ( -20.825 -0.452 -2.004) 20.926 10.175 ( 6.891 0.411 -7.781) 10.402 10.195 ( 6.778 -0.361 -7.561) 10.161 12.165 ( -2.592 0.460 1.818) 3.199 12.189 ( -2.964 -0.512 1.947) 3.584 12.372 ( -4.144 0.349 -2.816) 5.023 12.392 ( -4.334 -0.443 -2.623) 5.085 12.644 ( 4.719 0.752 4.621) 6.648 12.666 ( 2.319 -0.148 3.699) 4.369 12.812 ( 3.378 0.957 6.789) 7.643 12.883 ( 5.782 -1.754 6.836) 9.123 13.044 ( 0.178 0.342 -0.099) 0.398 13.067 ( 0.222 -0.544 -0.036) 0.588 13.204 ( -2.429 1.251 1.361) 3.052 13.261 ( -1.515 -1.085 2.362) 3.008 13.356 ( -0.770 0.763 -1.884) 2.173 13.409 ( -1.146 -1.305 -0.429) 1.788 13.418 ( -1.363 0.910 0.911) 1.875 13.441 ( -1.248 0.075 0.927) 1.556 13.644 ( 8.344 1.304 1.783) 8.631 13.663 ( -0.166 0.831 1.122) 1.406 13.733 ( 2.786 -1.685 1.073) 3.428 13.767 ( 6.745 -1.443 0.616) 6.925 13.933 ( 2.983 0.031 0.833) 3.098 13.940 ( 2.684 -0.253 1.745) 3.211 14.085 ( 5.729 1.292 -2.102) 6.238 14.125 ( 5.646 -0.228 -1.960) 5.981 14.195 ( -1.292 0.854 0.666) 1.686 14.266 ( -1.493 -2.253 0.335) 2.723 14.400 ( -2.566 1.940 0.277) 3.229 14.444 ( -0.314 0.210 -0.661) 0.762 14.545 ( 4.640 1.516 -0.830) 4.951 14.613 ( 4.954 -1.219 -1.774) 5.401 14.660 ( 0.874 0.430 1.357) 1.670 14.716 ( 5.736 -1.710 -0.346) 5.996 14.989 ( 2.017 2.102 5.565) 6.281 15.112 ( -0.874 -3.116 1.656) 3.635 15.363 ( 5.678 3.559 -4.291) 7.957 15.549 ( 6.222 -4.887 -5.398) 9.578 15.662 ( 7.633 2.049 -3.251) 8.546 15.805 ( 7.406 -3.340 -0.161) 8.126 15.966 ( 2.935 7.667 -9.794) 12.780 16.257 ( 0.767 -4.627 -4.403) 6.433 16.572 ( 0.016 6.628 12.670) 14.299 16.968 ( 3.711 -10.670 4.717) 12.242 17.563 ( 1.348 7.980 10.753) 13.458 17.840 ( -0.142 -4.320 6.458) 7.771 17.957 ( -12.840 2.500 -16.671) 21.190 18.145 ( -12.269 -6.783 -16.094) 21.344 18.827 ( -12.674 13.235 -12.244) 22.038 19.298 ( -19.148 -7.093 -17.931) 27.175 ======================= Grid point 124 (46/90) ======================= q-point: ( 0.30 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 15.743 6.072 8.518) 18.902 2.523 ( 23.119 9.608 12.086) 27.801 2.757 ( 2.424 -6.015 1.046) 6.569 2.920 ( 1.109 -6.267 -3.007) 7.039 3.591 ( 3.189 8.723 -8.672) 12.707 3.859 ( -1.140 -3.078 2.271) 3.992 3.993 ( 24.036 3.929 20.008) 31.520 4.071 ( 19.608 -0.488 13.252) 23.671 4.237 ( 10.412 -3.717 11.440) 15.909 4.375 ( 3.919 -10.632 0.364) 11.337 4.509 ( 4.857 0.522 2.082) 5.310 4.699 ( 12.199 -10.988 6.591) 17.692 4.940 ( 7.947 8.791 -8.684) 14.692 5.138 ( -6.851 1.410 2.824) 7.543 5.350 ( 15.301 13.550 11.522) 23.462 5.820 ( 27.132 -8.244 17.190) 33.161 6.084 ( 10.511 3.056 0.518) 10.958 6.158 ( 21.586 -1.058 11.543) 24.501 6.374 ( -5.738 -1.926 -10.540) 12.155 6.421 ( -1.019 -5.880 -11.305) 12.784 6.576 ( -1.685 -0.227 -13.194) 13.303 6.632 ( -2.808 -3.219 -3.100) 5.277 6.754 ( -15.246 3.060 9.713) 18.334 6.808 ( -17.765 -0.358 9.738) 20.262 6.862 ( -10.575 3.637 10.942) 15.646 6.936 ( -7.137 2.175 4.156) 8.540 7.543 ( -6.421 2.589 -8.082) 10.641 7.668 ( -4.336 -2.274 -8.478) 9.790 8.007 ( -27.096 0.290 3.121) 27.277 8.020 ( -26.898 -0.222 3.398) 27.113 9.479 ( -14.423 -0.459 -7.610) 16.314 9.486 ( -6.015 -0.687 -13.849) 15.115 9.517 ( -2.785 0.607 -15.578) 15.836 9.521 ( -2.709 0.467 -15.720) 15.958 10.265 ( 2.108 0.300 -11.008) 11.212 10.280 ( 1.716 -0.265 -10.936) 11.073 12.126 ( -1.410 0.341 0.981) 1.751 12.146 ( -1.599 -0.417 1.154) 2.015 12.281 ( -4.676 0.355 -1.893) 5.057 12.300 ( -4.630 -0.389 -1.727) 4.956 12.664 ( -0.607 0.431 3.416) 3.496 12.686 ( -0.315 -0.395 3.378) 3.416 12.936 ( 7.833 1.521 7.273) 10.797 13.015 ( 1.232 -0.450 1.319) 1.861 13.026 ( 3.335 -0.860 3.608) 4.988 13.047 ( -2.465 -0.537 -1.681) 3.031 13.187 ( 0.942 1.050 3.278) 3.569 13.233 ( -0.111 -0.786 3.813) 3.895 13.365 ( -0.119 0.284 1.265) 1.302 13.376 ( -0.759 0.468 1.563) 1.799 13.405 ( -0.677 0.176 1.074) 1.281 13.440 ( 1.364 -0.890 1.691) 2.347 13.643 ( -1.535 1.260 2.607) 3.277 13.716 ( -1.297 -1.834 2.120) 3.089 13.803 ( 5.394 1.893 2.439) 6.215 13.899 ( 4.246 -1.891 2.437) 5.249 13.961 ( -0.349 0.463 -1.581) 1.684 13.983 ( 1.348 -0.610 0.758) 1.662 14.151 ( 1.189 1.533 -0.268) 1.958 14.191 ( 1.417 0.117 1.185) 1.851 14.217 ( 3.503 0.280 -1.212) 3.717 14.250 ( 0.014 -1.457 1.387) 2.012 14.360 ( -1.067 0.922 0.802) 1.622 14.404 ( -3.021 -0.695 -0.675) 3.173 14.648 ( 5.487 0.959 -2.131) 5.964 14.712 ( 4.799 -1.492 -2.510) 5.617 14.748 ( 6.539 1.948 -1.254) 6.937 14.854 ( 7.189 -2.178 0.535) 7.531 14.999 ( -0.700 1.485 3.203) 3.599 15.083 ( -1.487 -2.249 1.710) 3.192 15.499 ( 7.672 3.534 -2.841) 8.912 15.651 ( 3.255 -3.585 -4.761) 6.791 15.812 ( 5.788 3.209 -4.806) 8.179 15.880 ( 5.850 1.438 0.855) 6.085 16.202 ( 15.648 -3.200 -7.691) 17.727 16.237 ( -2.579 -2.282 0.851) 3.547 16.589 ( 3.125 9.114 5.912) 11.305 17.051 ( 4.735 -11.976 0.775) 12.902 17.584 ( -0.470 7.706 -0.460) 7.734 17.712 ( -7.859 1.961 -5.751) 9.934 17.869 ( -1.890 -2.399 1.645) 3.469 17.889 ( -10.670 -4.790 -10.823) 15.935 18.560 ( -13.737 8.382 -9.657) 18.767 18.890 ( -21.870 -5.281 -14.887) 26.978 ======================= Grid point 125 (47/90) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 5.120 3.407 -1.047) 6.238 2.789 ( 2.094 -3.639 -3.006) 5.164 2.928 ( 3.010 2.474 -6.439) 7.527 3.104 ( 22.766 -6.447 5.239) 24.234 3.642 ( 6.095 8.733 -6.778) 12.624 3.777 ( -3.031 -2.209 5.171) 6.388 4.200 ( -2.109 -4.276 5.417) 7.217 4.371 ( -0.515 -6.216 1.318) 6.375 4.473 ( 9.049 4.881 6.413) 12.118 4.689 ( 29.731 1.270 20.617) 36.203 4.744 ( 22.282 0.422 15.402) 27.090 4.890 ( -13.494 10.905 6.696) 18.597 4.954 ( 11.311 -12.076 7.532) 18.179 5.090 ( 7.051 3.284 -2.429) 8.148 5.491 ( 3.932 11.680 1.401) 12.403 5.858 ( -7.333 -6.863 2.729) 10.408 6.124 ( -24.720 -0.535 14.277) 28.552 6.170 ( -26.389 -1.189 17.002) 31.414 6.230 ( -10.406 -0.892 5.759) 11.926 6.377 ( -4.005 -8.089 -3.420) 9.652 6.603 ( 14.697 0.580 -9.493) 17.506 6.645 ( 10.262 -1.616 -12.347) 16.136 6.709 ( 9.418 0.971 -6.947) 11.743 6.722 ( 5.001 0.609 -8.769) 10.113 7.117 ( 24.220 2.375 11.849) 27.068 7.161 ( 29.225 0.677 14.257) 32.524 7.427 ( -3.628 3.569 -9.378) 10.670 7.511 ( -21.262 0.455 -3.608) 21.571 7.525 ( -19.797 0.602 -2.576) 19.973 7.631 ( 3.134 -2.569 -8.055) 9.017 8.819 ( -38.173 0.534 9.650) 39.378 8.852 ( -36.320 -0.767 9.171) 37.468 9.812 ( 14.232 0.204 -24.485) 28.322 9.821 ( 14.205 -0.132 -24.662) 28.461 10.253 ( -3.340 0.130 -16.236) 16.577 10.259 ( -3.683 -0.103 -16.341) 16.751 12.107 ( -0.615 0.294 0.501) 0.846 12.124 ( -0.683 -0.368 0.789) 1.107 12.204 ( -2.946 0.410 -0.746) 3.067 12.224 ( -2.870 -0.388 -0.537) 2.945 12.650 ( -0.640 0.445 3.842) 3.920 12.673 ( -0.647 -0.457 3.827) 3.909 12.964 ( -2.309 0.522 -1.271) 2.687 12.990 ( -2.546 -0.537 -1.411) 2.960 13.076 ( 5.707 1.230 6.169) 8.493 13.144 ( 4.796 -1.552 5.450) 7.424 13.220 ( 1.780 0.853 4.017) 4.476 13.251 ( 1.217 -0.342 4.266) 4.449 13.333 ( -1.557 0.645 0.810) 1.870 13.366 ( -1.210 -0.769 0.402) 1.489 13.422 ( 2.127 1.097 2.338) 3.346 13.473 ( 1.462 -0.879 1.555) 2.308 13.608 ( -1.529 1.134 5.547) 5.865 13.672 ( -2.915 -1.394 4.029) 5.164 13.871 ( 1.739 1.246 2.843) 3.558 13.930 ( -1.683 0.333 -2.511) 3.041 13.947 ( 0.860 -1.066 5.150) 5.329 13.987 ( -0.630 -1.150 0.526) 1.413 14.157 ( -0.205 2.271 0.477) 2.329 14.231 ( 1.913 -1.098 1.201) 2.511 14.257 ( 0.644 -0.356 1.011) 1.250 14.268 ( 1.547 -0.058 -0.179) 1.558 14.350 ( -1.066 0.155 0.193) 1.094 14.364 ( 0.001 -0.365 0.006) 0.365 14.742 ( 3.583 0.357 -2.760) 4.537 14.787 ( 2.505 -1.582 -3.899) 4.897 14.861 ( 4.120 2.362 -2.653) 5.440 14.932 ( 0.190 -0.228 -3.706) 3.718 14.998 ( 0.712 0.315 5.191) 5.249 15.089 ( 2.715 -3.841 6.700) 8.187 15.638 ( 5.896 4.885 -0.148) 7.659 15.679 ( 0.407 3.224 -3.496) 4.773 15.898 ( 3.435 -1.507 0.811) 3.838 16.006 ( 2.573 -5.133 -1.069) 5.841 16.206 ( 1.904 3.966 -1.104) 4.536 16.389 ( 2.780 -4.646 0.895) 5.488 16.785 ( 15.444 6.801 -8.570) 18.926 17.153 ( 5.615 -10.249 -2.905) 12.042 17.494 ( -5.734 3.562 -6.336) 9.258 17.591 ( -11.513 -1.387 -9.687) 15.110 17.714 ( 0.762 6.270 -1.547) 6.503 17.916 ( 3.568 -2.739 -0.100) 4.500 18.320 ( -9.873 2.714 -7.267) 12.556 18.466 ( -20.360 -2.918 -12.590) 24.115 ======================= Grid point 126 (48/90) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 0.000 2.987 -2.624) 3.976 2.814 ( 0.000 -3.059 -4.726) 5.630 2.946 ( 0.000 5.343 -9.234) 10.668 3.323 ( -0.000 -11.814 -10.923) 16.090 3.744 ( 0.000 -1.141 8.867) 8.940 3.920 ( -0.000 -11.359 10.409) 15.407 4.002 ( 0.000 10.438 2.149) 10.657 4.354 ( 0.000 -5.913 1.373) 6.070 4.595 ( -0.000 9.685 2.778) 10.075 4.636 ( 0.000 17.468 9.960) 20.108 4.993 ( 0.000 2.185 2.920) 3.647 5.079 ( -0.000 -6.385 4.676) 7.913 5.201 ( -0.000 -2.938 22.592) 22.783 5.300 ( -0.000 -3.220 19.123) 19.392 5.555 ( 0.000 6.080 1.994) 6.399 5.677 ( -0.000 0.489 15.305) 15.313 5.741 ( 0.000 -1.208 14.905) 14.954 5.743 ( -0.000 -3.248 5.848) 6.689 6.155 ( 0.000 -1.072 3.619) 3.775 6.328 ( 0.000 -8.459 -3.258) 9.065 6.755 ( -0.000 1.761 -14.980) 15.083 6.777 ( -0.000 0.663 -12.730) 12.748 6.822 ( -0.000 0.037 -7.364) 7.364 6.824 ( 0.000 -0.142 -7.653) 7.655 7.195 ( 0.000 -1.057 -10.334) 10.388 7.205 ( -0.000 -1.556 -8.801) 8.938 7.324 ( 0.000 4.002 -13.357) 13.944 7.399 ( -0.000 0.657 -10.016) 10.038 7.985 ( -0.000 3.364 16.353) 16.695 8.046 ( 0.000 0.267 15.392) 15.395 8.061 ( 0.000 -0.267 15.751) 15.753 8.148 ( -0.000 -3.008 11.203) 11.600 9.992 ( 0.000 0.293 -18.484) 18.486 10.007 ( -0.000 -0.285 -19.038) 19.040 10.174 ( 0.000 0.266 -22.263) 22.264 10.186 ( -0.000 -0.205 -22.216) 22.217 12.101 ( 0.000 0.279 0.355) 0.452 12.117 ( 0.000 -0.358 0.706) 0.791 12.174 ( 0.000 0.442 -0.242) 0.504 12.195 ( 0.000 -0.387 -0.005) 0.387 12.643 ( 0.000 0.444 4.040) 4.064 12.666 ( 0.000 -0.450 4.040) 4.065 12.940 ( -0.000 0.448 -1.134) 1.219 12.963 ( 0.000 -0.502 -1.113) 1.221 13.137 ( -0.000 1.028 5.880) 5.969 13.195 ( 0.000 -1.330 5.177) 5.345 13.240 ( 0.000 0.831 4.200) 4.281 13.265 ( 0.000 -0.127 4.081) 4.083 13.316 ( 0.000 0.566 0.670) 0.877 13.350 ( 0.000 -0.759 -0.263) 0.803 13.460 ( -0.000 0.716 0.908) 1.156 13.475 ( 0.000 0.332 2.090) 2.116 13.612 ( 0.000 -0.514 6.212) 6.234 13.618 ( -0.000 -0.466 6.464) 6.481 13.886 ( 0.000 0.781 2.736) 2.845 13.907 ( -0.000 1.108 -2.046) 2.327 13.959 ( 0.000 -1.786 5.807) 6.075 13.976 ( -0.000 -1.065 0.686) 1.266 14.153 ( 0.000 2.667 0.609) 2.735 14.248 ( 0.000 -1.714 1.293) 2.147 14.267 ( -0.000 -0.232 0.350) 0.420 14.281 ( -0.000 -0.318 0.384) 0.498 14.339 ( 0.000 0.778 0.276) 0.825 14.368 ( 0.000 -0.564 -0.055) 0.567 14.778 ( 0.000 0.091 -2.737) 2.738 14.810 ( 0.000 -1.577 -4.539) 4.805 14.898 ( -0.000 2.215 -4.590) 5.097 14.928 ( 0.000 0.304 -3.777) 3.789 15.005 ( -0.000 0.532 5.600) 5.625 15.130 ( 0.000 -4.855 10.105) 11.210 15.682 ( 0.000 5.128 -2.876) 5.880 15.705 ( -0.000 7.019 2.026) 7.306 15.929 ( 0.000 -4.689 0.316) 4.700 16.001 ( 0.000 -6.041 2.025) 6.372 16.261 ( 0.000 3.801 -5.616) 6.781 16.404 ( 0.000 -2.714 2.199) 3.493 16.984 ( 0.000 4.344 -11.655) 12.438 17.241 ( 0.000 -7.410 -4.143) 8.490 17.425 ( -0.000 0.331 -10.664) 10.669 17.429 ( 0.000 0.865 -5.133) 5.206 17.738 ( 0.000 7.013 -1.825) 7.247 17.999 ( 0.000 -4.103 -3.149) 5.172 18.194 ( -0.000 0.355 -10.501) 10.507 18.214 ( 0.000 -0.397 -6.114) 6.126 ======================= Grid point 132 (49/90) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 0.000 -16.582 32.847) 36.795 2.235 ( 0.000 16.582 32.847) 36.795 2.340 ( 0.000 -28.565 8.045) 29.676 2.340 ( 0.000 28.565 8.045) 29.676 3.115 ( 0.000 -25.101 25.845) 36.028 3.115 ( 0.000 25.101 25.845) 36.028 3.662 ( 0.000 -5.246 7.059) 8.795 3.662 ( 0.000 5.246 7.059) 8.795 3.966 ( 0.000 -7.849 43.821) 44.518 3.966 ( 0.000 7.849 43.821) 44.518 4.210 ( 0.000 -1.565 -1.946) 2.497 4.210 ( 0.000 1.565 -1.946) 2.497 4.390 ( 0.000 -2.008 -1.783) 2.685 4.390 ( 0.000 2.008 -1.783) 2.685 4.882 ( 0.000 -14.013 -9.281) 16.807 4.882 ( 0.000 14.013 -9.281) 16.807 6.207 ( 0.000 -0.750 -27.709) 27.719 6.207 ( 0.000 0.750 -27.709) 27.719 6.316 ( 0.000 -3.922 -13.394) 13.956 6.316 ( 0.000 3.923 -13.393) 13.955 6.787 ( 0.000 -5.291 -23.432) 24.022 6.787 ( 0.000 5.291 -23.432) 24.022 7.548 ( 0.000 -1.527 6.348) 6.529 7.548 ( 0.000 1.527 6.348) 6.529 7.626 ( 0.000 -0.996 10.778) 10.824 7.626 ( 0.000 0.996 10.778) 10.824 7.828 ( 0.000 -1.323 9.491) 9.582 7.828 ( 0.000 1.323 9.491) 9.582 8.749 ( 0.000 -0.007 -34.317) 34.317 8.749 ( 0.000 0.007 -34.317) 34.317 9.329 ( 0.000 -0.128 19.247) 19.247 9.329 ( 0.000 0.128 19.247) 19.247 9.888 ( 0.000 -0.292 -13.533) 13.536 9.888 ( 0.000 0.292 -13.533) 13.536 10.405 ( 0.000 -0.814 -6.589) 6.639 10.405 ( 0.000 0.814 -6.589) 6.639 12.319 ( 0.000 -1.136 0.760) 1.367 12.319 ( 0.000 1.136 0.760) 1.367 12.433 ( 0.000 -1.499 10.266) 10.375 12.433 ( 0.000 1.499 10.266) 10.375 12.463 ( 0.000 -0.786 -2.494) 2.615 12.463 ( 0.000 0.786 -2.494) 2.615 12.813 ( 0.000 -1.153 4.511) 4.656 12.813 ( 0.000 1.153 4.511) 4.656 13.024 ( 0.000 -0.493 1.971) 2.032 13.024 ( 0.000 0.494 1.971) 2.032 13.283 ( 0.000 -0.114 -2.329) 2.332 13.283 ( 0.000 0.114 -2.329) 2.332 13.382 ( 0.000 -2.810 -0.105) 2.812 13.382 ( 0.000 2.810 -0.105) 2.812 13.466 ( 0.000 -3.081 -4.451) 5.413 13.466 ( 0.000 3.081 -4.451) 5.413 13.497 ( 0.000 -0.288 1.573) 1.599 13.497 ( 0.000 0.288 1.573) 1.599 13.741 ( 0.000 -1.192 -2.565) 2.829 13.741 ( 0.000 1.192 -2.565) 2.829 13.846 ( 0.000 -0.959 1.117) 1.472 13.846 ( 0.000 0.959 1.117) 1.472 13.883 ( 0.000 -0.596 3.042) 3.100 13.883 ( 0.000 0.596 3.042) 3.100 14.268 ( 0.000 -1.762 -1.113) 2.084 14.268 ( 0.000 1.762 -1.113) 2.084 14.441 ( 0.000 -1.644 -3.886) 4.219 14.441 ( 0.000 1.644 -3.886) 4.219 14.497 ( 0.000 -0.256 -1.352) 1.376 14.497 ( 0.000 0.256 -1.352) 1.376 14.720 ( 0.000 -5.557 5.143) 7.572 14.720 ( 0.000 5.557 5.143) 7.572 14.948 ( 0.000 -4.106 9.035) 9.924 14.948 ( 0.000 4.106 9.035) 9.924 15.334 ( 0.000 -4.930 -3.886) 6.278 15.334 ( 0.000 4.930 -3.887) 6.278 15.523 ( 0.000 -1.686 -0.272) 1.708 15.523 ( 0.000 1.686 -0.272) 1.708 16.111 ( 0.000 -2.245 -12.256) 12.460 16.111 ( 0.000 2.245 -12.256) 12.460 16.712 ( 0.000 -8.369 14.415) 16.668 16.712 ( 0.000 8.369 14.415) 16.668 17.701 ( 0.000 -7.982 15.310) 17.266 17.701 ( 0.000 7.982 15.310) 17.266 18.353 ( 0.000 -2.509 -28.766) 28.875 18.353 ( 0.000 2.509 -28.766) 28.875 19.480 ( 0.000 -16.620 -22.142) 27.685 19.480 ( 0.000 16.620 -22.142) 27.685 ======================= Grid point 134 (50/90) ======================= q-point: ( 0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 6.473 -15.656 27.670) 32.445 2.293 ( 6.473 15.656 27.670) 32.445 2.387 ( 4.275 -30.587 6.974) 31.662 2.387 ( 4.275 30.587 6.974) 31.662 3.270 ( 13.217 -16.835 19.125) 28.704 3.270 ( 13.217 16.835 19.125) 28.704 3.653 ( 3.175 -4.126 14.489) 15.396 3.653 ( 3.175 4.126 14.489) 15.396 4.084 ( 2.346 -3.022 10.768) 11.428 4.084 ( 2.346 3.022 10.768) 11.428 4.292 ( 11.897 -2.266 12.607) 17.482 4.292 ( 11.897 2.266 12.607) 17.482 4.456 ( 9.889 -5.197 12.028) 16.416 4.456 ( 9.889 5.197 12.028) 16.416 4.922 ( 3.823 -13.128 -8.115) 15.900 4.922 ( 3.823 13.129 -8.115) 15.901 6.149 ( -4.785 -0.935 -23.315) 23.819 6.149 ( -4.785 0.935 -23.315) 23.819 6.351 ( 2.818 -4.415 -14.269) 15.200 6.351 ( 2.818 4.416 -14.269) 15.200 6.722 ( -5.629 -4.827 -20.975) 22.247 6.722 ( -5.629 4.827 -20.975) 22.247 7.432 ( -11.781 -1.926 4.247) 12.671 7.432 ( -11.781 1.926 4.247) 12.671 7.533 ( -9.471 -0.240 16.412) 18.950 7.533 ( -9.471 0.240 16.412) 18.950 7.786 ( -3.617 -1.732 4.962) 6.380 7.786 ( -3.617 1.732 4.962) 6.380 8.805 ( 1.916 -0.302 -23.916) 23.994 8.805 ( 1.916 0.302 -23.916) 23.994 9.135 ( -12.664 -0.276 2.520) 12.915 9.135 ( -12.664 0.276 2.520) 12.915 10.017 ( 9.544 -0.504 -8.254) 12.628 10.017 ( 9.544 0.504 -8.254) 12.628 10.301 ( -10.519 -0.777 -5.375) 11.838 10.301 ( -10.519 0.777 -5.375) 11.838 12.247 ( -4.359 -0.942 2.600) 5.162 12.247 ( -4.359 0.942 2.600) 5.162 12.444 ( -2.028 -0.707 -2.786) 3.518 12.444 ( -2.028 0.707 -2.786) 3.518 12.539 ( 7.457 -1.714 7.135) 10.461 12.539 ( 7.457 1.714 7.135) 10.461 12.808 ( -0.096 -1.149 4.919) 5.053 12.808 ( -0.096 1.149 4.919) 5.053 13.038 ( 1.046 -0.596 1.303) 1.774 13.038 ( 1.046 0.596 1.303) 1.774 13.264 ( -1.295 -0.568 0.248) 1.436 13.264 ( -1.295 0.568 0.248) 1.436 13.408 ( -0.487 -1.710 -3.504) 3.929 13.408 ( -0.487 1.710 -3.504) 3.929 13.465 ( -0.984 -1.768 -1.188) 2.347 13.465 ( -0.984 1.768 -1.188) 2.347 13.521 ( 5.822 -1.109 1.241) 6.055 13.521 ( 5.822 1.109 1.241) 6.056 13.713 ( -1.054 -1.621 0.105) 1.936 13.713 ( -1.054 1.621 0.105) 1.936 13.877 ( 2.616 -0.296 2.073) 3.351 13.877 ( 2.616 0.296 2.073) 3.351 13.975 ( 7.289 -1.254 -0.909) 7.452 13.975 ( 7.289 1.254 -0.909) 7.452 14.254 ( -1.366 -1.831 -0.744) 2.403 14.254 ( -1.366 1.831 -0.744) 2.403 14.450 ( 0.438 -1.132 -2.632) 2.898 14.450 ( 0.438 1.132 -2.632) 2.898 14.513 ( 2.019 -1.229 -0.742) 2.478 14.513 ( 2.019 1.229 -0.742) 2.478 14.676 ( -2.611 -3.223 3.104) 5.180 14.676 ( -2.611 3.223 3.104) 5.180 14.998 ( 3.454 -4.612 7.389) 9.370 14.998 ( 3.454 4.612 7.389) 9.370 15.364 ( 3.026 -4.627 -4.571) 7.173 15.364 ( 3.025 4.627 -4.571) 7.173 15.582 ( 5.706 -2.588 -0.367) 6.277 15.582 ( 5.706 2.589 -0.367) 6.277 16.113 ( 0.285 -5.508 -11.038) 12.339 16.113 ( 0.285 5.508 -11.038) 12.339 16.722 ( 0.962 -8.943 13.227) 15.996 16.722 ( 0.962 8.944 13.227) 15.996 17.707 ( 0.567 -7.816 13.363) 15.491 17.707 ( 0.567 7.816 13.363) 15.491 18.253 ( -9.430 -3.367 -24.833) 26.776 18.253 ( -9.430 3.368 -24.833) 26.776 19.371 ( -10.571 -15.399 -19.647) 27.109 19.371 ( -10.571 15.399 -19.647) 27.109 ======================= Grid point 136 (51/90) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 8.469 -13.593 14.924) 21.891 2.456 ( 8.469 13.593 14.924) 21.891 2.515 ( 9.261 -23.308 6.813) 25.990 2.515 ( 9.261 23.308 6.813) 25.990 3.578 ( 19.465 -4.387 17.392) 26.469 3.578 ( 19.465 4.387 17.392) 26.470 3.778 ( 5.166 -11.133 1.920) 12.423 3.778 ( 5.166 11.134 1.920) 12.423 4.083 ( 1.963 -1.999 5.219) 5.923 4.083 ( 1.963 1.999 5.219) 5.923 4.446 ( 5.072 -2.392 -1.634) 5.841 4.446 ( 5.072 2.392 -1.634) 5.841 4.959 ( 35.372 -7.501 34.991) 50.317 4.959 ( 35.372 7.501 34.991) 50.317 5.016 ( 5.944 -10.884 -3.956) 13.017 5.016 ( 5.945 10.884 -3.957) 13.018 6.061 ( -3.199 -2.143 -13.980) 14.500 6.061 ( -3.199 2.144 -13.980) 14.500 6.400 ( 1.195 -2.579 -15.345) 15.606 6.400 ( 1.194 2.580 -15.345) 15.606 6.619 ( -3.614 -2.203 -16.071) 16.619 6.619 ( -3.614 2.203 -16.072) 16.619 7.127 ( -17.457 -2.952 4.607) 18.294 7.127 ( -17.457 2.952 4.607) 18.294 7.255 ( -18.356 -0.391 19.204) 26.569 7.255 ( -18.356 0.391 19.204) 26.569 7.705 ( -4.568 -2.523 -2.234) 5.677 7.705 ( -4.568 2.523 -2.234) 5.677 8.534 ( -24.638 -0.266 6.649) 25.521 8.534 ( -24.638 0.266 6.649) 25.521 9.189 ( 13.772 -0.301 -31.580) 34.454 9.189 ( 13.772 0.301 -31.580) 34.454 9.994 ( -20.591 -0.619 -1.897) 20.687 9.994 ( -20.591 0.619 -1.897) 20.687 10.185 ( 6.820 -0.543 -7.680) 10.286 10.185 ( 6.820 0.543 -7.680) 10.286 12.177 ( -2.794 -0.686 1.878) 3.435 12.177 ( -2.794 0.686 1.878) 3.435 12.381 ( -4.219 -0.551 -2.710) 5.044 12.381 ( -4.219 0.551 -2.710) 5.044 12.659 ( 3.299 -0.627 4.011) 5.232 12.659 ( 3.299 0.627 4.011) 5.232 12.842 ( 4.725 -1.984 6.928) 8.617 12.842 ( 4.725 1.984 6.928) 8.617 13.054 ( 0.344 -0.611 0.004) 0.702 13.054 ( 0.344 0.611 0.004) 0.702 13.234 ( -2.022 -1.525 2.074) 3.273 13.234 ( -2.022 1.525 2.074) 3.273 13.379 ( -0.823 -1.464 -1.864) 2.509 13.379 ( -0.823 1.464 -1.864) 2.509 13.435 ( -1.639 -0.652 1.363) 2.230 13.435 ( -1.639 0.652 1.363) 2.230 13.671 ( 4.301 -0.844 1.507) 4.635 13.671 ( 4.301 0.844 1.507) 4.635 13.727 ( 4.802 -1.731 0.619) 5.142 13.727 ( 4.802 1.731 0.619) 5.142 13.935 ( 2.817 -0.204 1.225) 3.078 13.935 ( 2.817 0.204 1.225) 3.078 14.112 ( 5.954 -1.140 -2.063) 6.404 14.112 ( 5.954 1.140 -2.063) 6.404 14.222 ( -1.512 -1.853 0.451) 2.434 14.222 ( -1.512 1.853 0.451) 2.434 14.435 ( -2.142 -1.235 -0.285) 2.489 14.435 ( -2.142 1.235 -0.285) 2.489 14.581 ( 4.489 -1.840 -1.335) 5.032 14.581 ( 4.489 1.840 -1.335) 5.032 14.679 ( 3.761 -1.556 0.309) 4.082 14.679 ( 3.761 1.556 0.309) 4.082 15.045 ( 0.964 -3.330 4.458) 5.647 15.045 ( 0.964 3.330 4.458) 5.647 15.448 ( 5.535 -4.769 -5.022) 8.865 15.448 ( 5.535 4.769 -5.022) 8.866 15.726 ( 8.368 -3.963 -1.159) 9.331 15.726 ( 8.368 3.964 -1.158) 9.331 16.129 ( 1.572 -7.807 -7.527) 10.958 16.129 ( 1.572 7.808 -7.527) 10.958 16.748 ( 1.751 -10.476 9.638) 14.342 16.748 ( 1.751 10.476 9.637) 14.342 17.722 ( 0.907 -7.306 8.415) 11.181 17.722 ( 0.907 7.306 8.415) 11.181 18.028 ( -12.437 -4.646 -16.881) 21.476 18.028 ( -12.437 4.646 -16.881) 21.476 19.097 ( -16.623 -12.523 -15.711) 26.076 19.097 ( -16.623 12.523 -15.711) 26.076 ======================= Grid point 138 (52/90) ======================= q-point: ( 0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 6.162 -8.324 3.849) 11.048 2.599 ( 6.162 8.324 3.849) 11.048 2.745 ( 13.513 -10.539 5.257) 17.925 2.745 ( 13.513 10.539 5.257) 17.925 3.778 ( -2.815 -6.992 -6.852) 10.187 3.778 ( -2.815 6.992 -6.852) 10.187 4.062 ( 28.409 -2.218 19.451) 34.501 4.062 ( 28.409 2.218 19.451) 34.501 4.189 ( 6.375 -2.405 6.452) 9.383 4.189 ( 6.375 2.405 6.452) 9.383 4.551 ( 6.326 -4.147 3.882) 8.502 4.551 ( 6.326 4.147 3.882) 8.502 5.100 ( 2.900 -5.671 -2.442) 6.822 5.100 ( 2.900 5.671 -2.442) 6.822 5.613 ( 19.797 -12.171 14.303) 27.288 5.613 ( 19.797 12.171 14.303) 27.288 6.130 ( 16.862 -1.626 6.265) 18.062 6.130 ( 16.862 1.627 6.265) 18.062 6.354 ( -6.173 -1.141 -10.291) 12.055 6.354 ( -6.173 1.141 -10.291) 12.055 6.583 ( -2.670 -1.274 -9.648) 10.092 6.583 ( -2.670 1.274 -9.648) 10.092 6.791 ( -19.023 -1.216 12.640) 22.872 6.791 ( -19.023 1.216 12.640) 22.872 6.937 ( -4.670 -2.231 5.131) 7.288 6.937 ( -4.670 2.232 5.131) 7.288 7.607 ( -5.280 -3.480 -8.230) 10.379 7.607 ( -5.280 3.480 -8.230) 10.379 8.014 ( -26.931 -0.387 3.230) 27.127 8.014 ( -26.931 0.387 3.230) 27.127 9.476 ( -10.102 -0.189 -10.908) 14.869 9.476 ( -10.102 0.189 -10.908) 14.869 9.525 ( -2.889 -0.107 -15.448) 15.717 9.525 ( -2.889 0.107 -15.448) 15.717 10.273 ( 1.909 -0.399 -10.976) 11.147 10.273 ( 1.909 0.399 -10.976) 11.147 12.135 ( -1.505 -0.536 1.061) 1.918 12.135 ( -1.505 0.536 1.061) 1.918 12.291 ( -4.634 -0.522 -1.807) 5.002 12.291 ( -4.634 0.522 -1.807) 5.002 12.675 ( -0.515 -0.597 3.385) 3.476 12.675 ( -0.515 0.597 3.385) 3.476 12.976 ( 7.565 -2.335 6.792) 10.431 12.976 ( 7.565 2.335 6.792) 10.431 13.034 ( -2.554 -0.710 -1.434) 3.014 13.034 ( -2.554 0.710 -1.434) 3.014 13.212 ( 0.491 -1.286 3.639) 3.891 13.212 ( 0.491 1.286 3.639) 3.891 13.374 ( -0.726 -0.532 1.000) 1.346 13.374 ( -0.726 0.532 1.000) 1.346 13.418 ( 0.580 -1.092 1.668) 2.076 13.418 ( 0.580 1.092 1.668) 2.076 13.677 ( -1.291 -1.945 2.335) 3.302 13.677 ( -1.291 1.945 2.335) 3.302 13.851 ( 4.770 -2.672 2.322) 5.940 13.851 ( 4.770 2.672 2.322) 5.940 13.971 ( 0.543 -0.538 -0.453) 0.889 13.971 ( 0.543 0.539 -0.453) 0.889 14.182 ( 1.031 -1.260 0.479) 1.697 14.182 ( 1.031 1.260 0.479) 1.697 14.225 ( 2.272 -0.722 -0.139) 2.388 14.225 ( 2.272 0.722 -0.139) 2.388 14.383 ( -2.479 -1.273 0.244) 2.797 14.383 ( -2.479 1.273 0.244) 2.797 14.677 ( 4.936 -1.789 -2.505) 5.817 14.677 ( 4.936 1.789 -2.505) 5.817 14.799 ( 7.101 -2.946 -0.276) 7.693 14.799 ( 7.101 2.946 -0.277) 7.693 15.037 ( -1.354 -2.205 2.492) 3.592 15.037 ( -1.354 2.205 2.492) 3.592 15.576 ( 7.194 -3.868 -3.675) 8.957 15.576 ( 7.194 3.869 -3.675) 8.957 15.873 ( 5.257 -2.358 -1.175) 5.880 15.873 ( 5.257 2.358 -1.175) 5.880 16.188 ( 4.775 -1.778 -3.694) 6.293 16.188 ( 4.775 1.778 -3.694) 6.293 16.804 ( 4.656 -11.992 3.159) 13.247 16.804 ( 4.656 11.992 3.159) 13.247 17.716 ( -4.352 -4.049 -3.097) 6.703 17.716 ( -4.352 4.049 -3.097) 6.703 17.823 ( -5.042 -0.710 -4.306) 6.668 17.823 ( -5.042 0.710 -4.305) 6.668 18.744 ( -18.776 -8.903 -12.858) 24.436 18.744 ( -18.776 8.903 -12.858) 24.436 ======================= Grid point 140 (53/90) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 3.743 -5.013 -1.939) 6.550 2.698 ( 3.743 5.013 -1.939) 6.550 2.996 ( 10.313 -4.315 -2.231) 11.399 2.996 ( 10.313 4.315 -2.231) 11.399 3.743 ( 0.229 -1.861 0.906) 2.083 3.743 ( 0.229 1.861 0.906) 2.083 4.227 ( -0.883 -6.449 0.841) 6.563 4.227 ( -0.883 6.449 0.841) 6.563 4.642 ( 20.487 -9.909 12.745) 26.083 4.642 ( 20.487 9.909 12.745) 26.084 4.746 ( 20.184 -1.509 15.115) 25.261 4.746 ( 20.184 1.509 15.115) 25.261 5.095 ( -3.619 -4.900 3.698) 7.126 5.095 ( -3.619 4.900 3.698) 7.126 5.695 ( -2.439 -8.856 0.281) 9.190 5.695 ( -2.439 8.856 0.281) 9.190 6.134 ( -23.921 -1.947 12.408) 27.018 6.134 ( -23.921 1.947 12.408) 27.018 6.247 ( -9.062 -3.436 3.871) 10.436 6.247 ( -9.062 3.437 3.870) 10.436 6.617 ( 13.692 -0.982 -11.989) 18.226 6.617 ( 13.692 0.982 -11.989) 18.226 6.725 ( 7.775 -0.504 -5.808) 9.718 6.725 ( 7.775 0.504 -5.808) 9.718 7.156 ( 22.702 -1.244 11.390) 25.429 7.156 ( 22.702 1.244 11.390) 25.430 7.496 ( -13.198 -2.186 -3.916) 13.939 7.496 ( -13.198 2.186 -3.916) 13.939 7.565 ( -5.501 -3.330 -7.101) 9.580 7.565 ( -5.501 3.330 -7.101) 9.580 8.834 ( -37.260 -0.915 9.435) 38.447 8.834 ( -37.260 0.915 9.435) 38.447 9.817 ( 14.197 -0.238 -24.554) 28.364 9.817 ( 14.197 0.238 -24.554) 28.364 10.256 ( -3.512 -0.164 -16.288) 16.663 10.256 ( -3.512 0.165 -16.288) 16.663 12.115 ( -0.650 -0.469 0.640) 1.026 12.115 ( -0.650 0.469 0.640) 1.026 12.214 ( -2.891 -0.564 -0.641) 3.014 12.214 ( -2.891 0.564 -0.641) 3.014 12.662 ( -0.642 -0.642 3.836) 3.942 12.662 ( -0.642 0.642 3.836) 3.942 12.977 ( -2.456 -0.699 -1.296) 2.864 12.977 ( -2.456 0.700 -1.296) 2.864 13.108 ( 5.269 -1.880 5.853) 8.096 13.108 ( 5.269 1.880 5.853) 8.096 13.239 ( 1.566 -0.870 4.188) 4.555 13.239 ( 1.566 0.870 4.188) 4.555 13.349 ( -1.407 -0.873 0.541) 1.741 13.349 ( -1.407 0.873 0.541) 1.741 13.449 ( 1.971 -1.424 2.044) 3.177 13.449 ( 1.971 1.425 2.044) 3.177 13.639 ( -2.300 -1.765 4.661) 5.489 13.639 ( -2.300 1.765 4.661) 5.489 13.903 ( 0.990 -1.848 2.546) 3.298 13.903 ( 0.990 1.848 2.546) 3.298 13.961 ( -1.008 -1.353 0.382) 1.730 13.961 ( -1.008 1.353 0.382) 1.730 14.200 ( 0.757 -1.885 1.093) 2.307 14.200 ( 0.757 1.885 1.093) 2.307 14.260 ( 1.028 -0.561 0.211) 1.190 14.260 ( 1.028 0.561 0.211) 1.190 14.355 ( -0.362 -0.390 0.065) 0.536 14.355 ( -0.362 0.390 0.065) 0.536 14.757 ( 2.926 -1.212 -3.334) 4.598 14.757 ( 2.926 1.212 -3.334) 4.598 14.909 ( 3.025 -2.118 -3.028) 4.776 14.909 ( 3.025 2.118 -3.028) 4.776 15.022 ( 0.632 -2.328 5.283) 5.808 15.022 ( 0.632 2.328 5.283) 5.808 15.715 ( 6.537 -1.469 -1.857) 6.952 15.715 ( 6.536 1.469 -1.857) 6.952 15.907 ( -1.385 -3.588 1.234) 4.039 15.907 ( -1.385 3.588 1.234) 4.040 16.293 ( 4.515 -4.681 -2.041) 6.816 16.293 ( 4.515 4.681 -2.041) 6.816 16.951 ( 10.000 -9.491 -4.425) 14.479 16.951 ( 10.000 9.491 -4.425) 14.479 17.553 ( -9.040 -2.448 -8.251) 12.482 17.553 ( -9.040 2.448 -8.251) 12.482 17.835 ( 3.056 -5.237 -0.382) 6.076 17.835 ( 3.056 5.238 -0.382) 6.076 18.392 ( -15.912 -4.084 -10.303) 19.391 18.392 ( -15.912 4.084 -10.303) 19.391 ======================= Grid point 142 (54/90) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 0.000 -4.279 -3.575) 5.576 2.737 ( 0.000 4.279 -3.575) 5.576 3.100 ( -0.000 -9.801 -9.201) 13.443 3.100 ( 0.000 9.801 -9.201) 13.443 3.764 ( -0.000 -3.990 8.984) 9.831 3.764 ( -0.000 3.990 8.984) 9.831 4.199 ( 0.000 -8.991 -0.707) 9.019 4.199 ( 0.000 8.991 -0.707) 9.019 4.838 ( -0.000 -11.832 4.699) 12.731 4.838 ( 0.000 11.832 4.699) 12.731 4.946 ( 0.000 -7.845 8.772) 11.768 4.946 ( -0.000 7.845 8.772) 11.768 5.216 ( 0.000 -3.255 23.664) 23.887 5.216 ( -0.000 3.255 23.664) 23.887 5.664 ( 0.000 -3.786 -0.245) 3.794 5.664 ( 0.000 3.787 -0.245) 3.795 5.711 ( -0.000 -1.245 15.446) 15.496 5.711 ( 0.000 1.245 15.446) 15.496 6.180 ( 0.000 -4.655 -1.146) 4.795 6.180 ( 0.000 4.656 -1.147) 4.795 6.779 ( -0.000 -0.568 -12.956) 12.969 6.779 ( -0.000 0.568 -12.956) 12.969 6.823 ( 0.000 -0.009 -7.441) 7.441 6.823 ( -0.000 0.009 -7.441) 7.441 7.186 ( 0.000 -0.238 -9.414) 9.417 7.186 ( -0.000 0.238 -9.414) 9.417 7.388 ( 0.000 -2.008 -11.489) 11.664 7.388 ( -0.000 2.008 -11.489) 11.664 8.052 ( -0.000 -0.051 15.193) 15.193 8.052 ( 0.002 0.051 15.193) 15.193 8.070 ( 0.000 -4.156 14.027) 14.630 8.070 ( -0.002 4.156 14.027) 14.630 9.999 ( 0.000 -0.408 -18.757) 18.761 9.999 ( 0.000 0.408 -18.757) 18.761 10.181 ( -0.000 -0.332 -22.233) 22.236 10.181 ( -0.000 0.332 -22.233) 22.236 12.109 ( 0.000 -0.452 0.528) 0.695 12.109 ( 0.000 0.452 0.528) 0.695 12.185 ( 0.000 -0.588 -0.125) 0.601 12.185 ( 0.000 0.588 -0.125) 0.601 12.655 ( 0.000 -0.636 4.044) 4.093 12.655 ( 0.000 0.636 4.044) 4.093 12.951 ( -0.000 -0.618 -1.069) 1.234 12.951 ( 0.000 0.618 -1.069) 1.235 13.164 ( 0.000 -1.580 5.564) 5.784 13.164 ( 0.000 1.580 5.564) 5.784 13.257 ( 0.000 -0.692 4.247) 4.303 13.257 ( -0.000 0.692 4.247) 4.303 13.332 ( 0.000 -0.947 0.086) 0.951 13.332 ( -0.000 0.947 0.086) 0.951 13.475 ( 0.000 -0.512 1.092) 1.206 13.475 ( -0.000 0.512 1.092) 1.206 13.609 ( 0.000 -0.311 6.700) 6.707 13.609 ( 0.000 0.311 6.700) 6.707 13.908 ( 0.000 -1.221 1.124) 1.659 13.908 ( 0.000 1.221 1.124) 1.659 13.950 ( 0.000 -1.188 2.491) 2.760 13.950 ( 0.000 1.188 2.491) 2.760 14.207 ( 0.000 -2.429 0.913) 2.595 14.207 ( 0.000 2.430 0.913) 2.595 14.270 ( 0.000 -0.511 0.635) 0.815 14.270 ( -0.000 0.512 0.635) 0.815 14.355 ( 0.000 -0.739 -0.135) 0.751 14.355 ( -0.000 0.739 -0.135) 0.751 14.786 ( 0.000 -0.772 -3.594) 3.676 14.786 ( 0.000 0.772 -3.594) 3.676 14.928 ( -0.000 -0.559 -4.999) 5.030 14.928 ( 0.000 0.559 -4.999) 5.031 15.041 ( -0.000 -3.383 7.818) 8.519 15.041 ( 0.000 3.383 7.818) 8.519 15.808 ( 0.000 -6.804 -2.865) 7.382 15.808 ( -0.000 6.804 -2.865) 7.382 15.860 ( 0.000 -7.775 3.943) 8.717 15.860 ( -0.000 7.775 3.942) 8.717 16.338 ( 0.000 -3.708 -1.681) 4.071 16.338 ( -0.000 3.708 -1.681) 4.071 17.097 ( 0.000 -6.640 -7.388) 9.933 17.097 ( 0.000 6.640 -7.388) 9.933 17.432 ( -0.000 -0.262 -8.128) 8.132 17.432 ( 0.000 0.263 -8.128) 8.132 17.885 ( 0.000 -6.952 -2.448) 7.370 17.885 ( -0.000 6.952 -2.448) 7.370 18.204 ( 0.000 -0.565 -8.223) 8.243 18.204 ( -0.000 0.565 -8.223) 8.243 ======================= Grid point 165 (55/90) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 0.000 0.000 40.460) 40.460 2.466 ( 0.000 0.000 22.787) 22.787 2.820 ( 0.000 0.000 -2.780) 2.780 3.177 ( 0.000 0.000 7.587) 7.587 3.465 ( 0.000 0.000 2.030) 2.030 3.565 ( 0.000 0.000 -2.324) 2.324 3.689 ( 0.000 0.000 10.835) 10.835 3.793 ( 0.000 0.000 3.949) 3.949 4.084 ( 0.000 0.000 3.310) 3.310 4.256 ( 0.000 0.000 0.378) 0.378 4.339 ( 0.000 0.000 -6.940) 6.940 4.345 ( 0.000 0.000 3.714) 3.714 4.437 ( 0.000 0.000 7.682) 7.682 5.008 ( 0.000 0.000 40.756) 40.756 5.370 ( 0.000 0.000 4.067) 4.067 5.382 ( 0.000 0.000 61.341) 61.341 5.414 ( 0.000 0.000 -38.079) 38.079 5.678 ( 0.000 0.000 -15.221) 15.221 5.852 ( 0.000 0.000 -28.649) 28.649 6.055 ( 0.000 0.000 7.983) 7.983 6.399 ( 0.000 0.000 2.486) 2.486 6.605 ( 0.000 0.000 -7.929) 7.929 7.571 ( 0.000 0.000 2.592) 2.592 7.634 ( 0.000 0.000 -3.006) 3.006 7.686 ( 0.000 0.000 -0.896) 0.896 7.771 ( 0.000 0.000 -0.440) 0.440 7.855 ( 0.000 0.000 -43.718) 43.718 7.870 ( 0.000 0.000 -46.761) 46.761 8.276 ( 0.000 0.000 28.254) 28.254 8.279 ( 0.000 0.000 28.014) 28.014 9.435 ( 0.000 0.000 -20.982) 20.982 9.440 ( 0.000 0.000 -19.805) 19.805 9.758 ( 0.000 0.000 13.313) 13.313 9.784 ( 0.000 0.000 12.929) 12.929 10.223 ( 0.000 0.000 -8.356) 8.356 10.267 ( 0.000 0.000 -8.531) 8.531 12.312 ( 0.000 0.000 1.262) 1.262 12.363 ( 0.000 0.000 0.946) 0.946 12.385 ( 0.000 0.000 -2.383) 2.383 12.432 ( 0.000 0.000 -2.411) 2.411 12.625 ( 0.000 0.000 11.384) 11.384 12.702 ( 0.000 0.000 10.920) 10.920 12.906 ( 0.000 0.000 6.497) 6.497 12.962 ( 0.000 0.000 6.421) 6.421 13.006 ( 0.000 0.000 -4.110) 4.110 13.074 ( 0.000 0.000 -3.531) 3.531 13.201 ( 0.000 0.000 -5.306) 5.306 13.221 ( 0.000 0.000 -2.633) 2.633 13.280 ( 0.000 0.000 -0.109) 0.109 13.292 ( 0.000 0.000 -3.049) 3.049 13.433 ( 0.000 0.000 -3.745) 3.745 13.453 ( 0.000 0.000 -0.395) 0.395 13.542 ( 0.000 0.000 1.578) 1.578 13.553 ( 0.000 0.000 3.515) 3.515 13.635 ( 0.000 0.000 -3.586) 3.586 13.705 ( 0.000 0.000 -4.431) 4.431 13.915 ( 0.000 0.000 4.366) 4.366 13.945 ( 0.000 0.000 7.350) 7.350 13.981 ( 0.000 0.000 7.892) 7.892 14.032 ( 0.000 0.000 7.071) 7.071 14.188 ( 0.000 0.000 -2.806) 2.806 14.221 ( 0.000 0.000 -7.349) 7.349 14.293 ( 0.000 0.000 -2.908) 2.908 14.383 ( 0.000 0.000 -8.583) 8.583 14.492 ( 0.000 0.000 4.316) 4.316 14.577 ( 0.000 0.000 4.104) 4.104 14.639 ( 0.000 0.000 0.486) 0.486 14.797 ( 0.000 0.000 -3.368) 3.368 15.010 ( 0.000 0.000 5.021) 5.021 15.126 ( 0.000 0.000 -0.021) 0.021 15.140 ( 0.000 0.000 -2.546) 2.546 15.276 ( 0.000 0.000 -6.963) 6.963 15.419 ( 0.000 0.000 -2.325) 2.325 15.697 ( 0.000 0.000 5.575) 5.575 15.703 ( 0.000 0.000 -16.638) 16.638 16.005 ( 0.000 0.000 -8.750) 8.750 16.981 ( 0.000 0.000 25.108) 25.108 17.048 ( 0.000 0.000 5.568) 5.568 17.648 ( 0.000 0.000 -23.266) 23.266 18.076 ( 0.000 0.000 -21.545) 21.545 18.108 ( 0.000 0.000 9.284) 9.284 18.132 ( 0.000 0.000 29.814) 29.814 18.608 ( 0.000 0.000 -12.346) 12.346 19.301 ( 0.000 0.000 -24.777) 24.777 ======================= Grid point 166 (56/90) ======================= q-point: ( 0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 14.594 0.000 38.512) 41.185 2.462 ( 0.013 0.000 19.453) 19.453 2.809 ( -0.867 0.000 -2.470) 2.618 3.247 ( 5.663 0.000 4.811) 7.430 3.337 ( -10.828 0.000 2.928) 11.217 3.624 ( 5.862 0.000 -13.776) 14.971 3.758 ( 8.244 0.000 24.137) 25.506 3.880 ( 8.375 0.000 0.725) 8.406 4.106 ( -1.016 0.000 -1.981) 2.227 4.237 ( -0.537 0.000 1.092) 1.217 4.332 ( 4.766 0.000 0.543) 4.797 4.486 ( 9.914 0.000 1.714) 10.061 4.488 ( 4.091 0.000 7.122) 8.214 5.096 ( 7.936 0.000 32.317) 33.277 5.362 ( -0.885 0.000 1.837) 2.039 5.433 ( 2.280 0.000 -34.136) 34.213 5.540 ( 14.200 0.000 44.510) 46.720 5.793 ( 11.903 0.000 -2.972) 12.268 5.848 ( 0.116 0.000 -27.319) 27.319 6.065 ( 2.766 0.000 16.580) 16.809 6.447 ( 4.749 0.000 3.228) 5.742 6.568 ( -3.555 0.000 -7.395) 8.205 7.451 ( -11.892 0.000 3.704) 12.456 7.553 ( -8.882 0.000 2.797) 9.312 7.625 ( -6.053 0.000 -2.407) 6.514 7.724 ( -4.755 0.000 -1.211) 4.907 7.963 ( 11.308 0.000 -46.519) 47.873 7.993 ( 11.991 0.000 -45.276) 46.837 8.153 ( -12.141 0.000 26.935) 29.545 8.162 ( -11.689 0.000 26.426) 28.896 9.143 ( -22.807 0.000 -10.506) 25.111 9.153 ( -22.812 0.000 -10.328) 25.041 9.901 ( 8.431 0.000 1.493) 8.562 9.933 ( 8.560 0.000 1.395) 8.673 10.155 ( -7.029 0.000 -6.410) 9.512 10.194 ( -7.434 0.000 -6.565) 9.918 12.271 ( -3.375 0.000 2.102) 3.977 12.316 ( -3.911 0.000 1.822) 4.314 12.366 ( -2.021 0.000 -2.616) 3.306 12.405 ( -2.613 0.000 -2.664) 3.732 12.678 ( 4.526 0.000 9.456) 10.484 12.741 ( 2.487 0.000 8.290) 8.655 12.913 ( 1.001 0.000 6.866) 6.938 12.962 ( 1.244 0.000 6.227) 6.350 13.005 ( -0.010 0.000 -3.852) 3.852 13.050 ( -2.128 0.000 -4.193) 4.702 13.196 ( -0.189 0.000 -4.792) 4.796 13.233 ( 1.119 0.000 -4.344) 4.486 13.315 ( 1.999 0.000 0.389) 2.037 13.358 ( 6.310 0.000 0.111) 6.311 13.448 ( 1.172 0.000 0.446) 1.254 13.528 ( -0.813 0.000 3.346) 3.443 13.541 ( 2.136 0.000 -0.037) 2.137 13.570 ( 7.426 0.000 0.673) 7.456 13.653 ( 1.519 0.000 -2.405) 2.845 13.717 ( 1.170 0.000 -4.519) 4.668 13.935 ( 1.795 0.000 4.154) 4.525 13.974 ( 3.076 0.000 5.011) 5.880 14.005 ( 2.225 0.000 7.475) 7.800 14.059 ( 2.604 0.000 5.047) 5.680 14.190 ( 0.175 0.000 -2.015) 2.023 14.248 ( 2.561 0.000 -6.438) 6.929 14.292 ( -0.035 0.000 -2.439) 2.439 14.391 ( 0.398 0.000 -7.835) 7.845 14.504 ( 1.193 0.000 3.936) 4.113 14.584 ( 1.000 0.000 3.254) 3.404 14.646 ( 1.336 0.000 0.109) 1.340 14.739 ( -4.397 0.000 -1.557) 4.665 15.039 ( 2.076 0.000 4.064) 4.564 15.135 ( 0.467 0.000 -0.451) 0.650 15.161 ( 2.280 0.000 -3.067) 3.822 15.303 ( 3.228 0.000 -8.325) 8.929 15.457 ( 3.658 0.000 -2.554) 4.461 15.669 ( -2.739 0.000 -13.908) 14.175 15.761 ( 6.196 0.000 5.563) 8.327 16.071 ( 5.852 0.000 -8.801) 10.569 16.953 ( -2.870 0.000 23.930) 24.101 17.072 ( 2.280 0.000 4.899) 5.404 17.605 ( -4.151 0.000 -20.365) 20.784 18.015 ( -6.250 0.000 -22.839) 23.679 18.081 ( -5.136 0.000 27.917) 28.386 18.095 ( -1.239 0.000 10.393) 10.467 18.565 ( -4.225 0.000 -11.601) 12.346 19.205 ( -9.585 0.000 -23.777) 25.636 ======================= Grid point 167 (57/90) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 24.691 0.000 32.661) 40.944 2.479 ( 1.694 0.000 11.975) 12.095 2.798 ( 0.214 0.000 -1.421) 1.437 3.112 ( -11.057 0.000 3.102) 11.484 3.317 ( 0.242 0.000 -4.642) 4.649 3.822 ( 14.783 0.000 -17.257) 22.723 4.024 ( 17.452 0.000 25.268) 30.709 4.051 ( -3.326 0.000 0.420) 3.352 4.104 ( 14.138 0.000 0.990) 14.173 4.274 ( 5.039 0.000 2.070) 5.448 4.445 ( 4.956 0.000 -2.036) 5.358 4.591 ( 7.042 0.000 9.531) 11.850 4.738 ( 15.317 0.000 5.407) 16.243 5.234 ( 4.358 0.000 12.088) 12.849 5.325 ( -3.305 0.000 1.787) 3.757 5.518 ( 6.743 0.000 -29.061) 29.833 5.829 ( 13.085 0.000 -1.325) 13.152 5.883 ( 4.079 0.000 -23.169) 23.526 6.085 ( 14.290 0.000 21.460) 25.783 6.306 ( 24.544 0.000 35.147) 42.869 6.478 ( -5.334 0.000 -5.721) 7.822 6.605 ( 12.872 0.000 13.664) 18.772 7.137 ( -18.887 0.000 6.035) 19.828 7.301 ( -16.003 0.000 5.976) 17.083 7.458 ( -10.656 0.000 -5.062) 11.797 7.581 ( -10.195 0.000 -0.580) 10.211 7.818 ( -21.392 0.000 23.248) 31.592 7.847 ( -19.176 0.000 19.707) 27.497 8.247 ( 12.962 0.000 -38.467) 40.592 8.281 ( 12.643 0.000 -36.361) 38.497 8.652 ( -22.921 0.000 -12.211) 25.971 8.674 ( -21.308 0.000 -13.022) 24.972 9.946 ( -14.306 0.000 -1.140) 14.351 9.973 ( -15.142 0.000 -1.263) 15.195 10.014 ( 2.762 0.000 -5.824) 6.445 10.043 ( 2.391 0.000 -5.958) 6.420 12.204 ( -3.179 0.000 2.276) 3.910 12.239 ( -3.604 0.000 2.120) 4.181 12.308 ( -3.603 0.000 -2.676) 4.488 12.339 ( -3.887 0.000 -2.693) 4.728 12.750 ( 1.257 0.000 5.858) 5.991 12.767 ( 0.951 0.000 5.532) 5.613 12.958 ( 4.391 0.000 7.602) 8.779 12.994 ( -1.899 0.000 -4.328) 4.726 13.012 ( -1.205 0.000 -4.857) 5.004 13.044 ( 6.241 0.000 6.479) 8.995 13.200 ( 0.737 0.000 -1.651) 1.808 13.258 ( 1.368 0.000 -2.850) 3.162 13.362 ( 2.680 0.000 2.619) 3.747 13.425 ( -0.274 0.000 0.752) 0.801 13.472 ( 1.218 0.000 2.930) 3.173 13.488 ( -2.352 0.000 3.197) 3.969 13.636 ( 8.016 0.000 -0.618) 8.039 13.683 ( 1.498 0.000 0.909) 1.752 13.741 ( 0.944 0.000 -2.340) 2.523 13.760 ( 8.827 0.000 -2.055) 9.063 13.974 ( 2.099 0.000 4.200) 4.696 14.054 ( 2.327 0.000 6.625) 7.022 14.058 ( 4.867 0.000 1.237) 5.021 14.124 ( 3.686 0.000 1.505) 3.982 14.195 ( 0.392 0.000 -0.320) 0.506 14.292 ( -0.027 0.000 -0.871) 0.871 14.303 ( 2.309 0.000 -4.484) 5.044 14.382 ( -1.212 0.000 -5.863) 5.987 14.542 ( 2.866 0.000 2.303) 3.677 14.630 ( 3.632 0.000 1.911) 4.104 14.666 ( -0.744 0.000 -0.733) 1.044 14.729 ( 5.743 0.000 -0.574) 5.771 15.070 ( 1.240 0.000 3.642) 3.848 15.137 ( 0.006 0.000 0.642) 0.642 15.235 ( 5.412 0.000 -4.271) 6.894 15.430 ( 10.091 0.000 -11.010) 14.935 15.551 ( 5.816 0.000 -4.128) 7.131 15.620 ( -1.930 0.000 -8.533) 8.749 15.924 ( 9.973 0.000 4.838) 11.084 16.196 ( 6.050 0.000 -6.577) 8.936 16.871 ( -5.350 0.000 20.608) 21.291 17.132 ( 3.652 0.000 3.094) 4.786 17.504 ( -5.670 0.000 -13.549) 14.688 17.838 ( -11.500 0.000 -21.445) 24.334 17.942 ( -8.517 0.000 22.462) 24.023 18.060 ( -2.251 0.000 8.608) 8.898 18.451 ( -7.079 0.000 -9.721) 12.025 18.942 ( -16.718 0.000 -21.585) 27.302 ======================= Grid point 168 (58/90) ======================= q-point: ( 0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 2.603 0.000 5.128) 5.751 2.724 ( 5.135 0.000 -0.146) 5.137 2.893 ( -0.382 0.000 7.456) 7.466 3.002 ( 19.256 0.000 19.171) 27.172 3.270 ( -4.122 0.000 -11.517) 12.232 4.000 ( -1.590 0.000 5.644) 5.864 4.155 ( 16.370 0.000 -13.381) 21.143 4.293 ( 10.005 0.000 -1.043) 10.059 4.372 ( 9.638 0.000 -3.929) 10.408 4.507 ( 1.263 0.000 -0.636) 1.414 4.567 ( 26.383 0.000 23.222) 35.147 4.817 ( 17.695 0.000 14.883) 23.122 5.063 ( 16.780 0.000 5.423) 17.635 5.205 ( -9.311 0.000 4.370) 10.285 5.258 ( -1.249 0.000 2.319) 2.634 5.705 ( 12.082 0.000 -21.352) 24.534 6.023 ( 10.188 0.000 -17.368) 20.136 6.060 ( 11.186 0.000 -14.589) 18.384 6.293 ( 6.581 0.000 4.047) 7.726 6.371 ( -5.225 0.000 -4.180) 6.691 6.770 ( -16.750 0.000 7.584) 18.387 6.883 ( 24.009 0.000 33.244) 41.007 6.938 ( 11.973 0.000 23.534) 26.405 6.960 ( -17.824 0.000 7.152) 19.205 7.218 ( -10.537 0.000 7.507) 12.938 7.332 ( -12.174 0.000 25.397) 28.164 7.377 ( -16.011 0.000 7.383) 17.631 7.517 ( -10.252 0.000 -4.072) 11.031 7.958 ( -30.096 0.000 -7.849) 31.103 7.986 ( -29.416 0.000 -7.339) 30.317 8.762 ( 21.226 0.000 -38.406) 43.881 8.798 ( 20.961 0.000 -37.019) 42.542 9.591 ( -22.044 0.000 6.375) 22.947 9.602 ( -22.415 0.000 6.048) 23.217 10.005 ( -3.731 0.000 -12.433) 12.981 10.023 ( -4.491 0.000 -12.742) 13.511 12.152 ( -2.093 0.000 1.730) 2.716 12.182 ( -2.152 0.000 1.761) 2.781 12.235 ( -3.552 0.000 -2.013) 4.083 12.265 ( -3.399 0.000 -1.972) 3.930 12.746 ( -0.647 0.000 4.584) 4.630 12.775 ( -0.311 0.000 4.512) 4.522 12.948 ( -2.389 0.000 -4.239) 4.866 12.980 ( -2.173 0.000 -4.487) 4.985 13.076 ( 6.651 0.000 6.882) 9.571 13.168 ( 5.780 0.000 5.358) 7.882 13.230 ( 2.189 0.000 0.976) 2.397 13.286 ( 1.446 0.000 0.177) 1.457 13.395 ( -1.972 0.000 1.503) 2.480 13.414 ( 2.416 0.000 1.935) 3.095 13.443 ( -2.202 0.000 2.437) 3.284 13.489 ( 0.400 0.000 0.945) 1.027 13.710 ( 1.180 0.000 4.288) 4.448 13.751 ( 0.138 0.000 -0.199) 0.243 13.780 ( 5.541 0.000 -1.798) 5.826 13.867 ( 1.951 0.000 -3.690) 4.174 14.024 ( 2.801 0.000 5.421) 6.101 14.089 ( 1.300 0.000 6.045) 6.183 14.135 ( 2.417 0.000 1.005) 2.617 14.195 ( 3.497 0.000 -0.693) 3.564 14.210 ( 1.272 0.000 0.272) 1.301 14.292 ( 0.100 0.000 0.667) 0.674 14.325 ( 0.332 0.000 -2.779) 2.799 14.354 ( -1.522 0.000 -3.873) 4.161 14.616 ( 4.326 0.000 0.131) 4.328 14.701 ( 3.702 0.000 -1.667) 4.060 14.704 ( 3.262 0.000 0.633) 3.323 14.836 ( 3.013 0.000 -3.700) 4.771 15.107 ( 1.847 0.000 6.272) 6.538 15.179 ( 7.195 0.000 6.978) 10.023 15.376 ( 8.715 0.000 -5.212) 10.154 15.597 ( -0.521 0.000 -3.546) 3.584 15.625 ( 7.012 0.000 -6.546) 9.593 15.747 ( 15.783 0.000 -11.460) 19.505 16.140 ( 11.995 0.000 0.585) 12.010 16.276 ( 1.292 0.000 -1.517) 1.992 16.751 ( -6.614 0.000 15.976) 17.291 17.203 ( 3.217 0.000 0.349) 3.236 17.399 ( -4.699 0.000 -6.702) 8.185 17.581 ( -13.955 0.000 -18.535) 23.201 17.775 ( -7.651 0.000 13.805) 15.783 18.010 ( -2.737 0.000 5.707) 6.329 18.302 ( -7.741 0.000 -7.532) 10.801 18.572 ( -20.227 0.000 -19.055) 27.789 ======================= Grid point 169 (59/90) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 2.134 0.000 0.879) 2.308 2.735 ( -1.267 0.000 -6.940) 7.055 2.814 ( -2.345 0.000 2.451) 3.392 3.188 ( -3.587 0.000 -13.877) 14.333 3.603 ( 32.743 0.000 21.659) 39.259 3.991 ( 0.553 0.000 10.136) 10.151 4.357 ( 5.700 0.000 -4.601) 7.325 4.437 ( 2.763 0.000 1.435) 3.114 4.500 ( -1.595 0.000 1.343) 2.085 4.601 ( 14.115 0.000 -16.854) 21.984 4.889 ( -20.965 0.000 9.311) 22.939 5.085 ( 13.456 0.000 10.149) 16.855 5.270 ( 14.378 0.000 8.636) 16.772 5.288 ( 28.644 0.000 18.846) 34.288 5.417 ( 16.701 0.000 8.038) 18.535 5.938 ( 8.086 0.000 -5.345) 9.693 6.240 ( 3.899 0.000 -12.853) 13.431 6.256 ( 9.055 0.000 -6.153) 10.948 6.315 ( 4.701 0.000 -9.977) 11.029 6.358 ( -2.046 0.000 -4.535) 4.975 6.564 ( -2.012 0.000 2.818) 3.462 6.613 ( -27.487 0.000 16.368) 31.991 6.638 ( -13.605 0.000 3.370) 14.016 6.651 ( -21.860 0.000 13.242) 25.559 7.053 ( -10.132 0.000 -10.390) 14.512 7.228 ( -9.219 0.000 -8.032) 12.227 7.365 ( -28.645 0.000 -9.590) 30.208 7.409 ( -27.685 0.000 -8.216) 28.879 7.710 ( 37.226 0.000 32.390) 49.345 7.841 ( 32.789 0.000 26.237) 41.994 9.076 ( -29.941 0.000 15.023) 33.499 9.107 ( -28.177 0.000 14.218) 31.561 9.190 ( 21.225 0.000 -32.978) 39.218 9.217 ( 20.646 0.000 -31.714) 37.842 9.866 ( -10.488 0.000 -19.444) 22.092 9.868 ( -11.037 0.000 -19.910) 22.764 12.122 ( -1.000 0.000 1.187) 1.552 12.153 ( -0.907 0.000 1.432) 1.695 12.178 ( -2.087 0.000 -1.171) 2.393 12.212 ( -1.886 0.000 -1.041) 2.154 12.735 ( -0.439 0.000 4.422) 4.444 12.766 ( -0.440 0.000 4.293) 4.315 12.907 ( -1.578 0.000 -3.286) 3.646 12.939 ( -1.693 0.000 -3.496) 3.884 13.192 ( 4.745 0.000 5.345) 7.148 13.256 ( 2.941 0.000 3.226) 4.365 13.273 ( 1.961 0.000 1.728) 2.614 13.309 ( 0.666 0.000 0.780) 1.026 13.364 ( -0.842 0.000 2.433) 2.575 13.404 ( -1.785 0.000 2.479) 3.055 13.445 ( 0.646 0.000 0.024) 0.647 13.496 ( 0.566 0.000 -0.027) 0.567 13.726 ( 0.487 0.000 5.304) 5.326 13.750 ( -0.136 0.000 2.414) 2.418 13.844 ( 1.271 0.000 -2.301) 2.629 13.872 ( -0.461 0.000 -2.651) 2.691 14.065 ( 1.188 0.000 5.864) 5.983 14.106 ( 0.510 0.000 5.882) 5.904 14.155 ( 0.100 0.000 2.054) 2.056 14.243 ( 1.701 0.000 -0.485) 1.768 14.252 ( 2.019 0.000 -1.237) 2.368 14.297 ( 0.354 0.000 1.097) 1.152 14.324 ( -0.764 0.000 -3.018) 3.113 14.337 ( 0.382 0.000 -1.704) 1.746 14.695 ( 3.360 0.000 -1.424) 3.649 14.746 ( 0.966 0.000 -0.791) 1.249 14.765 ( 2.052 0.000 -3.599) 4.143 14.847 ( -0.732 0.000 -4.357) 4.418 15.148 ( 2.688 0.000 9.723) 10.088 15.408 ( 13.180 0.000 16.233) 20.910 15.538 ( 6.341 0.000 -2.785) 6.926 15.592 ( -0.002 0.000 -1.277) 1.277 15.753 ( 6.451 0.000 -11.405) 13.103 16.041 ( 11.351 0.000 -3.198) 11.793 16.229 ( -5.720 0.000 3.421) 6.665 16.396 ( 13.460 0.000 -12.714) 18.516 16.631 ( -4.964 0.000 11.506) 12.531 17.220 ( -3.797 0.000 -8.953) 9.725 17.328 ( -2.421 0.000 -3.068) 3.908 17.352 ( -6.021 0.000 -8.365) 10.307 17.668 ( -3.067 0.000 4.908) 5.787 17.960 ( -2.109 0.000 1.256) 2.455 18.166 ( -5.567 0.000 -5.719) 7.981 18.189 ( -17.232 0.000 -14.491) 22.515 ======================= Grid point 170 (60/90) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 0.000 0.000 -0.560) 0.560 2.716 ( 0.000 0.000 -6.692) 6.692 2.796 ( 0.000 0.000 1.044) 1.044 3.149 ( 0.000 0.000 -14.409) 14.409 3.984 ( 0.000 0.000 11.292) 11.292 4.118 ( -0.000 0.000 14.684) 14.684 4.421 ( 0.000 0.000 9.008) 9.008 4.422 ( 0.000 0.000 -6.918) 6.918 4.449 ( -0.000 0.000 4.074) 4.074 4.564 ( 0.000 0.000 10.493) 10.493 4.777 ( -0.000 0.000 -12.907) 12.907 5.084 ( 0.000 0.000 -6.712) 6.712 5.630 ( 0.000 0.000 8.806) 8.806 5.735 ( -0.000 0.000 21.990) 21.990 5.797 ( -0.000 0.000 22.940) 22.940 5.961 ( -0.000 0.000 6.979) 6.979 6.000 ( 0.000 0.000 11.987) 11.987 6.030 ( -0.000 0.000 7.480) 7.480 6.328 ( 0.000 0.000 8.324) 8.324 6.398 ( -0.000 0.000 -8.754) 8.754 6.410 ( -0.000 0.000 -1.146) 1.146 6.534 ( -0.000 0.000 -7.001) 7.001 6.610 ( -0.000 0.000 -12.627) 12.627 6.616 ( 0.000 0.000 -11.880) 11.880 6.943 ( 0.000 0.000 -12.865) 12.865 6.988 ( 0.000 0.000 -11.195) 11.195 7.032 ( -0.000 0.000 -9.125) 9.125 7.122 ( 0.000 0.000 -13.210) 13.210 8.409 ( -0.000 0.000 25.091) 25.091 8.453 ( 0.000 0.000 23.109) 23.109 8.480 ( 0.000 0.000 23.191) 23.191 8.525 ( -0.000 0.000 21.024) 21.024 9.534 ( 0.000 0.000 -25.015) 25.015 9.535 ( -0.000 0.000 -23.849) 23.849 9.630 ( 0.000 0.000 -27.924) 27.924 9.647 ( -0.000 0.000 -28.080) 28.080 12.112 ( 0.000 0.000 0.982) 0.982 12.144 ( 0.000 0.000 1.315) 1.315 12.157 ( 0.000 0.000 -0.805) 0.805 12.193 ( 0.000 0.000 -0.633) 0.633 12.731 ( 0.000 0.000 4.412) 4.412 12.761 ( 0.000 0.000 4.272) 4.272 12.891 ( 0.000 0.000 -2.855) 2.855 12.922 ( 0.000 0.000 -3.014) 3.014 13.245 ( 0.000 0.000 4.545) 4.545 13.279 ( 0.000 0.000 1.690) 1.690 13.296 ( 0.000 0.000 1.870) 1.870 13.312 ( 0.000 0.000 0.622) 0.622 13.368 ( -0.000 0.000 1.348) 1.348 13.375 ( 0.000 0.000 4.668) 4.668 13.449 ( 0.000 0.000 -1.180) 1.180 13.504 ( -0.000 0.000 0.038) 0.038 13.731 ( 0.000 0.000 4.333) 4.333 13.748 ( 0.000 0.000 4.818) 4.818 13.849 ( -0.000 0.000 -2.223) 2.223 13.869 ( 0.000 0.000 -2.019) 2.019 14.075 ( 0.000 0.000 5.957) 5.957 14.111 ( 0.000 0.000 5.859) 5.859 14.155 ( 0.000 0.000 2.462) 2.462 14.262 ( 0.000 0.000 -0.821) 0.821 14.271 ( 0.000 0.000 -1.271) 1.271 14.301 ( -0.000 0.000 1.058) 1.058 14.316 ( 0.000 0.000 -2.003) 2.003 14.343 ( 0.000 0.000 -2.186) 2.186 14.738 ( 0.000 0.000 -2.929) 2.929 14.745 ( -0.000 0.000 -0.484) 0.484 14.782 ( 0.000 0.000 -3.881) 3.881 14.837 ( 0.000 0.000 -4.245) 4.245 15.184 ( -0.000 0.000 12.175) 12.175 15.552 ( 0.000 0.000 13.478) 13.478 15.599 ( -0.000 0.000 -0.895) 0.895 15.614 ( 0.000 0.000 7.450) 7.450 15.833 ( 0.000 0.000 -14.620) 14.620 16.136 ( 0.000 0.000 3.070) 3.070 16.152 ( 0.000 0.000 2.221) 2.221 16.562 ( 0.000 0.000 -20.924) 20.924 16.579 ( 0.000 0.000 9.429) 9.429 17.137 ( 0.000 0.000 -14.599) 14.599 17.305 ( 0.000 0.000 -2.232) 2.232 17.324 ( 0.000 0.000 -1.994) 1.994 17.642 ( 0.000 0.000 1.222) 1.222 17.934 ( -0.000 0.000 -11.821) 11.821 17.997 ( -0.000 0.000 -0.444) 0.444 18.107 ( 0.000 0.000 -4.899) 4.899 ======================= Grid point 176 (61/90) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 0.000 23.465 29.949) 38.047 2.556 ( 0.000 8.774 20.726) 22.507 2.762 ( 0.000 -6.244 0.551) 6.268 3.134 ( 0.000 -15.238 4.359) 15.849 3.271 ( 0.000 3.767 16.218) 16.650 3.620 ( 0.000 5.165 -0.741) 5.218 3.740 ( 0.000 -5.996 4.539) 7.520 3.968 ( 0.000 14.177 2.562) 14.407 4.058 ( 0.000 -10.832 16.980) 20.140 4.123 ( 0.000 -8.893 -7.039) 11.341 4.284 ( 0.000 4.300 1.549) 4.570 4.367 ( 0.000 3.459 -8.779) 9.435 4.425 ( 0.000 -1.635 5.418) 5.660 4.986 ( 0.000 -12.643 9.337) 15.717 5.170 ( 0.000 -2.241 29.351) 29.436 5.336 ( 0.000 -3.577 46.039) 46.177 5.462 ( 0.000 3.794 -22.153) 22.476 5.704 ( 0.000 -8.312 -21.713) 23.249 5.921 ( 0.000 14.706 -5.890) 15.842 6.246 ( 0.000 12.262 -3.803) 12.838 6.344 ( 0.000 -5.486 1.265) 5.630 6.573 ( 0.000 -3.427 -8.025) 8.726 7.580 ( 0.000 0.876 2.506) 2.654 7.626 ( 0.000 -0.786 -1.065) 1.324 7.695 ( 0.000 0.895 -2.135) 2.315 7.750 ( 0.000 -1.617 -4.405) 4.693 7.864 ( 0.000 0.555 -41.255) 41.258 7.871 ( 0.000 0.044 -45.594) 45.594 8.276 ( 0.000 0.064 28.191) 28.191 8.279 ( 0.000 -0.031 28.021) 28.021 9.436 ( 0.000 0.108 -20.818) 20.819 9.440 ( 0.000 -0.044 -19.985) 19.985 9.762 ( 0.000 0.352 13.263) 13.268 9.780 ( 0.000 -0.361 12.990) 12.995 10.230 ( 0.000 0.608 -8.384) 8.406 10.260 ( 0.000 -0.592 -8.507) 8.528 12.320 ( 0.000 0.760 1.222) 1.439 12.356 ( 0.000 -0.660 1.001) 1.199 12.392 ( 0.000 0.632 -2.349) 2.433 12.425 ( 0.000 -0.663 -2.362) 2.453 12.637 ( 0.000 1.108 11.252) 11.306 12.691 ( 0.000 -1.005 10.922) 10.968 12.910 ( 0.000 0.504 6.298) 6.318 12.951 ( 0.000 -1.013 6.414) 6.493 13.015 ( 0.000 0.796 -3.401) 3.493 13.061 ( 0.000 -1.105 -3.191) 3.377 13.201 ( 0.000 0.177 -4.815) 4.818 13.216 ( 0.000 -0.381 -3.036) 3.060 13.299 ( 0.000 1.569 -2.532) 2.979 13.321 ( 0.000 2.829 -1.455) 3.182 13.399 ( 0.000 -2.651 -3.009) 4.010 13.441 ( 0.000 -1.648 -1.542) 2.257 13.544 ( 0.000 0.169 1.823) 1.830 13.551 ( 0.000 -0.167 3.172) 3.176 13.641 ( 0.000 0.654 -3.548) 3.608 13.690 ( 0.000 -1.318 -4.179) 4.382 13.920 ( 0.000 0.486 4.710) 4.735 13.957 ( 0.000 0.046 8.431) 8.431 13.969 ( 0.000 0.078 6.140) 6.141 14.023 ( 0.000 -0.870 7.164) 7.216 14.200 ( 0.000 1.063 -2.799) 2.994 14.226 ( 0.000 0.334 -6.547) 6.556 14.290 ( 0.000 -0.019 -3.991) 3.991 14.354 ( 0.000 -2.384 -8.436) 8.766 14.506 ( 0.000 1.159 4.063) 4.225 14.565 ( 0.000 -1.197 4.165) 4.334 14.673 ( 0.000 2.957 -0.538) 3.005 14.781 ( 0.000 -1.563 -3.251) 3.608 15.030 ( 0.000 1.868 4.816) 5.166 15.113 ( 0.000 -1.336 0.982) 1.658 15.168 ( 0.000 2.511 -3.562) 4.358 15.263 ( 0.000 -1.316 -6.805) 6.931 15.460 ( 0.000 3.842 -0.452) 3.869 15.655 ( 0.000 -3.957 5.255) 6.578 15.744 ( 0.000 4.022 -14.878) 15.412 15.960 ( 0.000 -4.274 -9.169) 10.116 16.994 ( 0.000 1.110 21.933) 21.961 17.041 ( 0.000 -0.766 8.131) 8.167 17.682 ( 0.000 3.413 -23.107) 23.358 17.954 ( 0.000 -9.099 -21.910) 23.725 18.109 ( 0.000 0.186 13.874) 13.876 18.127 ( 0.000 -0.503 27.254) 27.259 18.771 ( 0.000 12.922 -16.179) 20.706 19.230 ( 0.000 -6.928 -23.752) 24.742 ======================= Grid point 177 (62/90) ======================= q-point: ( 0.10 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 10.862 20.286 29.263) 37.226 2.545 ( -0.647 8.058 17.876) 19.619 2.761 ( 0.068 -5.131 0.840) 5.200 3.097 ( -4.106 -15.838 5.135) 17.149 3.333 ( 5.423 6.876 8.736) 12.369 3.673 ( 5.514 3.803 -4.789) 8.234 3.811 ( 7.930 -2.488 15.411) 17.509 3.955 ( 1.780 8.385 -0.697) 8.601 4.070 ( -3.484 -8.601 -3.728) 10.000 4.159 ( 4.097 -8.815 7.372) 12.200 4.303 ( 5.578 3.043 6.376) 9.001 4.423 ( 5.231 -1.246 -1.412) 5.559 4.502 ( 6.154 2.573 0.191) 6.673 5.037 ( 4.593 -14.189 1.261) 14.967 5.270 ( 9.014 3.234 27.523) 29.141 5.438 ( 4.092 -0.197 -21.643) 22.027 5.557 ( 14.369 0.378 40.081) 42.581 5.728 ( 3.185 -7.118 -15.862) 17.675 5.969 ( 5.257 12.228 -4.510) 14.054 6.202 ( -2.123 7.825 1.328) 8.216 6.409 ( 5.351 -2.786 2.151) 6.405 6.540 ( -3.012 -2.954 -6.609) 7.840 7.466 ( -11.320 1.444 3.821) 12.034 7.539 ( -9.227 -1.352 3.289) 9.888 7.639 ( -5.694 1.325 -2.735) 6.454 7.708 ( -4.658 -1.491 -2.250) 5.384 7.969 ( 11.123 0.542 -45.442) 46.787 7.990 ( 11.665 -0.296 -44.703) 46.201 8.155 ( -11.959 0.174 26.541) 29.111 8.162 ( -11.618 -0.070 26.133) 28.599 9.145 ( -22.815 0.165 -10.475) 25.105 9.152 ( -22.818 -0.129 -10.350) 25.055 9.906 ( 8.451 0.445 1.472) 8.590 9.928 ( 8.542 -0.434 1.403) 8.667 10.161 ( -7.093 0.550 -6.434) 9.592 10.188 ( -7.380 -0.542 -6.543) 9.878 12.278 ( -3.480 0.646 2.075) 4.103 12.310 ( -3.862 -0.600 1.879) 4.336 12.371 ( -2.109 0.530 -2.588) 3.380 12.399 ( -2.531 -0.571 -2.616) 3.684 12.689 ( 4.343 1.013 9.230) 10.251 12.734 ( 2.883 -0.725 8.395) 8.905 12.916 ( 0.985 0.396 6.729) 6.812 12.951 ( 1.135 -0.964 6.268) 6.443 13.012 ( -0.257 0.595 -3.557) 3.616 13.043 ( -1.650 -0.653 -3.904) 4.288 13.202 ( 0.021 0.547 -4.993) 5.023 13.227 ( 0.967 -0.490 -4.484) 4.613 13.324 ( 2.132 1.096 0.648) 2.483 13.385 ( 5.161 1.703 0.165) 5.437 13.425 ( 2.060 -1.309 0.229) 2.451 13.515 ( 2.165 -1.702 0.751) 2.854 13.543 ( 1.452 0.366 1.587) 2.182 13.563 ( 5.014 -0.508 1.196) 5.179 13.659 ( 1.539 0.547 -2.620) 3.088 13.702 ( 1.193 -1.274 -4.101) 4.457 13.937 ( 1.751 0.367 4.334) 4.689 13.985 ( 2.093 -1.630 6.713) 7.218 13.997 ( 3.207 1.834 5.163) 6.349 14.055 ( 2.936 -0.556 5.290) 6.076 14.197 ( -0.103 0.687 -2.306) 2.408 14.240 ( 0.906 -0.854 -4.533) 4.701 14.302 ( 1.436 1.062 -4.656) 4.986 14.372 ( 1.285 -1.694 -7.807) 8.091 14.516 ( 1.099 1.043 3.576) 3.884 14.570 ( 0.864 -1.204 3.377) 3.688 14.664 ( -0.128 1.646 -0.193) 1.662 14.730 ( -3.907 -0.970 -1.517) 4.302 15.055 ( 1.789 1.528 3.597) 4.298 15.123 ( 0.579 -1.137 0.364) 1.327 15.188 ( 2.121 2.331 -4.141) 5.204 15.284 ( 2.488 -1.714 -7.849) 8.410 15.502 ( 3.996 4.212 -0.736) 5.852 15.712 ( 4.823 -2.703 2.105) 5.916 15.735 ( 0.337 4.306 -9.679) 10.599 16.015 ( 5.027 -5.327 -9.022) 11.621 16.973 ( -2.097 1.853 21.093) 21.278 17.056 ( 1.506 -1.458 7.728) 8.008 17.640 ( -4.057 3.472 -20.464) 21.150 17.902 ( -5.122 -8.471 -20.760) 23.000 18.082 ( -4.469 0.038 24.956) 25.354 18.091 ( -1.768 -0.335 13.009) 13.133 18.712 ( -5.883 11.806 -15.345) 20.235 19.138 ( -9.152 -6.496 -22.778) 25.392 ======================= Grid point 178 (63/90) ======================= q-point: ( 0.20 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 18.152 11.780 25.253) 33.257 2.547 ( 1.123 6.372 11.190) 12.926 2.772 ( 1.287 -2.719 1.354) 3.299 2.986 ( -6.430 -10.698 3.998) 13.106 3.410 ( 1.361 9.093 -3.267) 9.758 3.865 ( 14.197 2.315 -6.856) 15.935 3.943 ( -2.358 -4.676 -1.164) 5.365 4.079 ( 17.785 -0.447 18.494) 25.662 4.116 ( 7.717 -0.078 -0.026) 7.717 4.225 ( 5.934 -5.918 5.745) 10.161 4.459 ( 7.570 1.693 4.952) 9.203 4.588 ( 11.663 -6.488 7.338) 15.231 4.644 ( 8.496 4.529 -0.445) 9.639 5.133 ( 4.424 -11.892 -2.325) 12.900 5.419 ( 4.461 8.340 4.623) 10.527 5.525 ( 6.359 0.858 -28.162) 28.884 5.836 ( 8.354 0.000 -8.030) 11.588 5.916 ( 15.437 1.339 18.163) 23.875 6.100 ( 5.480 2.668 0.498) 6.115 6.283 ( 12.260 -2.300 17.567) 21.545 6.490 ( 2.228 1.067 4.595) 5.217 6.574 ( 12.464 -2.665 14.974) 19.664 7.171 ( -17.389 2.972 6.190) 18.696 7.285 ( -15.578 -1.571 6.126) 16.813 7.480 ( -10.264 1.980 -4.726) 11.472 7.566 ( -9.895 -1.424 -1.724) 10.144 7.820 ( -21.158 0.249 22.890) 31.172 7.840 ( -19.618 -0.578 20.420) 28.322 8.254 ( 12.787 0.608 -37.927) 40.029 8.278 ( 12.577 -0.345 -36.469) 38.578 8.655 ( -22.667 0.320 -12.334) 25.807 8.671 ( -21.522 -0.294 -12.909) 25.099 9.950 ( -14.429 0.368 -1.156) 14.480 9.969 ( -15.009 -0.385 -1.244) 15.065 10.018 ( 2.692 0.416 -5.851) 6.454 10.039 ( 2.441 -0.397 -5.947) 6.440 12.209 ( -3.262 0.465 2.266) 3.999 12.233 ( -3.561 -0.499 2.156) 4.193 12.313 ( -3.642 0.398 -2.661) 4.528 12.334 ( -3.842 -0.437 -2.669) 4.698 12.754 ( 1.040 0.346 5.726) 5.830 12.766 ( 0.903 -0.113 5.514) 5.589 12.967 ( 4.677 0.879 7.291) 8.706 12.996 ( -1.668 0.217 -3.967) 4.309 13.010 ( -0.812 -0.193 -4.142) 4.225 13.031 ( 5.655 -1.185 5.961) 8.302 13.208 ( 0.866 0.843 -1.975) 2.316 13.250 ( 1.336 -0.776 -2.792) 3.191 13.371 ( 2.497 1.011 2.927) 3.978 13.441 ( -0.348 1.257 1.060) 1.681 13.446 ( 0.690 -1.839 3.224) 3.775 13.490 ( -1.832 -0.350 2.395) 3.036 13.651 ( 8.284 1.462 -0.591) 8.433 13.687 ( 1.749 0.379 0.569) 1.878 13.727 ( 1.669 -1.118 -1.711) 2.639 13.743 ( 8.257 -1.618 -2.055) 8.662 13.978 ( 2.152 0.503 3.976) 4.549 14.032 ( 2.371 -1.675 5.207) 5.961 14.080 ( 4.754 1.630 2.004) 5.410 14.123 ( 3.662 -0.199 1.742) 4.060 14.199 ( 0.353 0.450 -0.388) 0.691 14.254 ( 0.615 -2.108 -1.435) 2.623 14.336 ( 1.180 1.691 -4.277) 4.748 14.380 ( -0.702 -0.360 -5.899) 5.952 14.553 ( 2.824 1.047 2.096) 3.669 14.612 ( 3.434 -1.471 1.814) 4.153 14.673 ( 0.066 0.572 -0.563) 0.805 14.714 ( 4.605 -1.287 -0.498) 4.808 15.080 ( 0.793 0.935 2.910) 3.158 15.126 ( -0.091 -0.966 0.969) 1.371 15.259 ( 5.436 2.088 -5.257) 7.845 15.375 ( 6.879 -3.686 -9.661) 12.419 15.601 ( 5.693 5.177 -1.679) 7.875 15.743 ( 2.499 9.630 -8.794) 13.278 15.867 ( 9.157 -5.280 4.102) 11.338 16.129 ( 5.847 -6.527 -7.056) 11.251 16.911 ( -4.156 3.698 18.649) 19.461 17.092 ( 1.823 -3.662 6.719) 7.866 17.541 ( -5.558 3.501 -14.569) 15.981 17.761 ( -9.091 -6.170 -18.528) 21.541 17.962 ( -7.268 1.701 19.443) 20.827 18.043 ( -2.925 -1.580 10.244) 10.770 18.553 ( -9.862 8.650 -13.105) 18.542 18.887 ( -15.931 -5.295 -20.594) 26.570 ======================= Grid point 179 (64/90) ======================= q-point: ( 0.30 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 1.787 4.641 5.225) 7.214 2.748 ( 3.693 1.707 0.419) 4.090 2.847 ( -0.905 -4.008 5.197) 6.625 2.925 ( 10.528 -5.164 8.544) 14.509 3.437 ( 4.760 13.521 -1.296) 14.393 3.908 ( -0.384 -6.896 3.955) 7.959 4.152 ( 11.616 -1.377 -9.562) 15.109 4.246 ( 6.007 -5.224 -5.989) 9.962 4.385 ( 11.486 3.126 5.805) 13.244 4.550 ( 21.970 0.680 15.383) 26.829 4.626 ( 13.958 5.939 9.202) 17.742 4.834 ( 14.608 -2.165 9.774) 17.709 4.867 ( 13.789 -5.828 5.724) 16.027 5.174 ( -1.327 -3.494 0.833) 3.830 5.468 ( 1.639 11.992 -0.730) 12.125 5.700 ( 11.206 -0.703 -20.048) 22.979 5.998 ( 8.810 -0.781 -13.993) 16.553 6.096 ( 5.355 3.644 -13.213) 14.716 6.197 ( 2.483 -7.751 2.114) 8.409 6.342 ( -1.230 -4.137 -5.434) 6.940 6.759 ( -3.683 -0.161 17.661) 18.042 6.828 ( 3.096 -3.661 22.149) 22.662 6.971 ( 7.753 3.382 21.310) 22.928 7.011 ( -7.363 1.982 11.056) 13.430 7.255 ( -7.547 3.096 11.232) 13.882 7.331 ( -10.096 -0.253 24.563) 26.558 7.391 ( -16.430 1.417 4.650) 17.134 7.492 ( -11.214 -2.353 -3.970) 12.127 7.962 ( -29.949 0.415 -7.742) 30.936 7.982 ( -29.440 -0.342 -7.376) 30.352 8.768 ( 21.131 0.515 -38.132) 43.598 8.793 ( 20.945 -0.464 -37.151) 42.651 9.593 ( -22.078 0.141 6.317) 22.964 9.600 ( -22.341 -0.145 6.086) 23.156 10.007 ( -3.841 0.257 -12.485) 13.065 10.020 ( -4.379 -0.239 -12.704) 13.439 12.156 ( -2.106 0.382 1.744) 2.761 12.177 ( -2.147 -0.451 1.767) 2.817 12.240 ( -3.522 0.396 -2.005) 4.072 12.260 ( -3.412 -0.416 -1.974) 3.964 12.750 ( -0.614 0.390 4.565) 4.623 12.771 ( -0.388 -0.393 4.514) 4.548 12.953 ( -2.356 0.465 -4.283) 4.910 12.976 ( -2.202 -0.425 -4.441) 4.975 13.089 ( 6.571 1.261 6.722) 9.484 13.154 ( 5.968 -1.277 5.669) 8.330 13.240 ( 2.174 0.931 0.858) 2.516 13.280 ( 1.650 -0.620 0.301) 1.788 13.398 ( -1.273 0.407 1.771) 2.218 13.423 ( 0.178 0.353 2.249) 2.283 13.438 ( -0.802 0.010 1.707) 1.886 13.480 ( 0.467 -0.813 1.025) 1.389 13.714 ( 1.100 0.346 3.737) 3.911 13.740 ( 0.469 -0.814 0.598) 1.114 13.796 ( 5.107 1.433 -2.084) 5.699 13.858 ( 2.712 -0.936 -3.452) 4.489 14.023 ( 2.416 0.145 5.327) 5.851 14.068 ( 1.310 -1.564 5.222) 5.606 14.159 ( 2.617 1.657 1.330) 3.371 14.192 ( 3.454 -0.233 -0.930) 3.585 14.213 ( 1.187 0.343 0.404) 1.300 14.268 ( 0.846 -1.835 0.500) 2.082 14.335 ( -0.685 0.717 -2.763) 2.936 14.354 ( -1.548 -0.060 -3.557) 3.880 14.624 ( 4.071 0.896 0.288) 4.178 14.686 ( 3.447 -1.546 0.538) 3.816 14.721 ( 3.981 1.821 -2.004) 4.815 14.816 ( 3.714 -1.945 -3.526) 5.478 15.108 ( 1.986 0.173 6.063) 6.382 15.149 ( 4.580 -2.005 5.860) 7.703 15.407 ( 9.531 2.333 -6.147) 11.579 15.523 ( 6.690 -3.948 -7.067) 10.502 15.713 ( 5.565 6.877 -2.908) 9.312 15.854 ( 9.005 7.983 -6.322) 13.594 16.068 ( 11.301 -6.101 -0.691) 12.861 16.218 ( 2.586 -5.620 -2.939) 6.849 16.817 ( -5.038 5.945 14.518) 16.478 17.117 ( 0.562 -7.089 4.965) 8.673 17.437 ( -4.760 2.905 -9.231) 10.785 17.556 ( -11.471 -2.303 -16.339) 20.096 17.823 ( -6.098 4.144 11.592) 13.738 17.984 ( -2.949 -2.551 6.481) 7.564 18.347 ( -10.594 4.112 -10.043) 15.166 18.537 ( -19.084 -3.412 -17.930) 26.407 ======================= Grid point 180 (65/90) ======================= q-point: ( 0.40 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 1.665 3.311 1.107) 3.868 2.770 ( 0.074 0.402 -2.166) 2.205 2.788 ( -2.195 0.549 -2.226) 3.174 3.070 ( 1.242 -8.849 -7.936) 11.951 3.718 ( 21.736 8.283 13.092) 26.692 3.928 ( 1.969 -4.334 8.402) 9.657 4.258 ( 0.070 -6.823 -1.200) 6.928 4.347 ( 2.825 -8.931 -4.477) 10.382 4.548 ( 5.463 10.112 2.720) 11.811 4.792 ( 9.803 12.709 -8.317) 18.078 5.004 ( -3.980 3.954 6.652) 8.702 5.082 ( 2.475 -3.661 4.308) 6.172 5.193 ( 28.949 0.073 20.375) 35.401 5.280 ( 27.791 -0.705 18.361) 33.316 5.526 ( 5.159 8.094 2.191) 9.846 5.888 ( 3.813 -5.668 -2.205) 7.179 6.116 ( 0.218 -6.920 -9.052) 11.396 6.189 ( 3.975 -5.934 -6.026) 9.345 6.295 ( 12.130 -1.433 -15.559) 19.780 6.343 ( 2.076 -2.632 -9.726) 10.288 6.564 ( -18.898 0.259 12.118) 22.452 6.592 ( -23.862 -1.073 14.253) 27.815 6.676 ( -10.613 3.708 6.083) 12.782 6.709 ( -12.549 2.481 6.959) 14.562 7.094 ( -9.639 3.520 -9.744) 14.151 7.211 ( -10.429 -1.613 -8.190) 13.358 7.374 ( -27.536 0.749 -9.322) 29.081 7.405 ( -26.289 -0.450 -8.219) 27.547 7.735 ( 35.702 2.272 30.866) 47.250 7.827 ( 32.932 -1.396 26.762) 42.458 9.077 ( -28.573 0.127 13.847) 31.752 9.098 ( -26.189 -0.774 12.155) 28.882 9.199 ( 18.877 0.703 -30.577) 35.941 9.217 ( 19.605 -0.096 -30.807) 36.516 9.867 ( -10.562 0.036 -19.513) 22.188 9.868 ( -10.947 -0.007 -19.841) 22.661 12.126 ( -0.987 0.392 1.230) 1.625 12.148 ( -0.921 -0.464 1.403) 1.742 12.183 ( -2.048 0.468 -1.160) 2.400 12.207 ( -1.905 -0.458 -1.068) 2.231 12.739 ( -0.433 0.419 4.403) 4.444 12.761 ( -0.436 -0.431 4.312) 4.355 12.912 ( -1.601 0.450 -3.330) 3.722 12.935 ( -1.684 -0.427 -3.469) 3.880 13.202 ( 4.581 0.986 5.245) 7.034 13.249 ( 3.369 -0.760 3.782) 5.121 13.282 ( 1.864 0.772 1.626) 2.591 13.307 ( 0.927 -0.193 0.937) 1.332 13.367 ( -1.151 0.357 2.304) 2.601 13.395 ( -1.695 -0.760 2.384) 3.022 13.453 ( 0.508 0.705 -0.189) 0.889 13.490 ( 0.539 -0.651 -0.225) 0.875 13.728 ( 0.419 0.216 5.030) 5.052 13.745 ( 0.101 -0.433 3.036) 3.068 13.853 ( 1.054 0.758 -2.502) 2.818 13.872 ( -0.295 -0.006 -2.780) 2.796 14.061 ( 1.240 -0.216 6.064) 6.194 14.085 ( 0.464 -1.363 5.777) 5.954 14.184 ( 0.349 1.996 1.797) 2.709 14.241 ( 1.624 -0.441 -0.329) 1.715 14.251 ( 1.812 0.146 -0.975) 2.063 14.284 ( 0.730 -1.090 0.802) 1.538 14.325 ( -0.664 0.055 -2.886) 2.962 14.334 ( -0.051 -0.316 -1.788) 1.816 14.696 ( 2.956 0.319 -1.113) 3.174 14.733 ( 1.257 -1.083 -0.686) 1.795 14.783 ( 1.766 1.528 -4.144) 4.756 14.839 ( -0.326 -0.758 -4.631) 4.704 15.160 ( 3.340 1.245 10.102) 10.712 15.304 ( 8.509 -6.215 11.832) 15.844 15.607 ( 3.448 1.429 -3.112) 4.860 15.613 ( 9.442 2.749 -4.344) 10.751 15.813 ( 3.785 6.237 -3.659) 8.161 16.034 ( 7.063 -1.123 0.471) 7.167 16.216 ( -2.160 -1.058 0.693) 2.503 16.300 ( 10.713 -6.469 -8.954) 15.388 16.745 ( -1.124 8.745 6.652) 11.045 17.122 ( 0.589 -8.306 0.016) 8.327 17.324 ( -9.965 0.641 -12.567) 16.051 17.362 ( -4.434 -0.225 -7.121) 8.392 17.742 ( -2.131 6.041 4.079) 7.594 17.939 ( -1.246 -2.304 2.125) 3.373 18.163 ( -7.646 -0.187 -7.223) 10.520 18.178 ( -15.805 -0.854 -13.410) 20.745 ======================= Grid point 181 (66/90) ======================= q-point: (-0.50 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 0.000 2.849 -0.325) 2.868 2.767 ( 0.000 4.972 -7.097) 8.665 2.769 ( -0.000 -2.658 0.871) 2.797 3.069 ( 0.000 -7.210 -11.824) 13.849 3.947 ( -0.000 -2.131 9.660) 9.893 4.101 ( -0.000 1.205 5.071) 5.212 4.146 ( 0.000 -12.890 10.040) 16.339 4.368 ( 0.000 -8.948 -0.481) 8.961 4.615 ( -0.000 15.389 0.635) 15.402 4.851 ( 0.000 16.196 9.984) 19.026 4.912 ( -0.000 10.851 -8.479) 13.771 5.121 ( 0.000 -0.508 -0.568) 0.762 5.596 ( 0.000 -0.553 6.549) 6.572 5.723 ( 0.000 -1.467 18.529) 18.587 5.773 ( -0.000 -2.479 21.523) 21.666 5.863 ( -0.000 -8.562 7.381) 11.305 6.003 ( 0.000 -0.384 10.458) 10.465 6.007 ( 0.000 -1.989 5.532) 5.879 6.243 ( 0.000 -5.521 5.644) 7.896 6.249 ( -0.000 -6.536 1.028) 6.616 6.513 ( -0.000 3.561 -7.446) 8.253 6.570 ( -0.000 1.229 -6.033) 6.157 6.609 ( -0.000 0.289 -12.501) 12.504 6.618 ( 0.000 0.142 -11.651) 11.651 6.953 ( 0.000 1.097 -10.382) 10.440 7.003 ( 0.000 -1.732 -8.844) 9.012 7.048 ( 0.000 4.547 -11.711) 12.563 7.144 ( -0.000 0.806 -12.274) 12.300 8.426 ( -0.000 1.619 24.451) 24.505 8.456 ( 0.000 0.341 23.138) 23.140 8.476 ( 0.000 -0.383 23.115) 23.118 8.509 ( -0.000 -1.544 21.500) 21.555 9.535 ( 0.000 0.034 -24.797) 24.797 9.535 ( -0.000 0.031 -23.967) 23.967 9.633 ( 0.000 0.270 -27.954) 27.955 9.645 ( -0.000 -0.195 -28.060) 28.060 12.116 ( 0.000 0.407 1.038) 1.115 12.139 ( 0.000 -0.481 1.273) 1.361 12.163 ( 0.000 0.507 -0.793) 0.942 12.188 ( 0.000 -0.478 -0.673) 0.825 12.735 ( 0.000 0.422 4.392) 4.413 12.757 ( 0.000 -0.424 4.293) 4.314 12.896 ( 0.000 0.427 -2.883) 2.914 12.917 ( 0.000 -0.415 -2.987) 3.016 13.253 ( -0.000 0.763 4.438) 4.503 13.279 ( 0.000 -0.115 2.251) 2.254 13.305 ( 0.000 0.650 1.679) 1.800 13.314 ( -0.000 0.099 0.765) 0.772 13.364 ( -0.000 -0.322 1.667) 1.698 13.369 ( 0.000 -0.548 4.183) 4.218 13.455 ( 0.000 0.701 -1.239) 1.424 13.497 ( -0.000 -0.763 -0.403) 0.863 13.732 ( 0.000 0.164 4.667) 4.670 13.746 ( 0.000 -0.235 4.892) 4.897 13.857 ( -0.000 0.639 -2.366) 2.451 13.870 ( 0.000 0.055 -2.178) 2.178 14.072 ( 0.000 -0.208 6.159) 6.162 14.089 ( -0.000 -1.290 6.034) 6.170 14.185 ( 0.000 2.181 1.996) 2.957 14.259 ( -0.000 -1.120 -0.509) 1.230 14.265 ( 0.000 0.378 -0.568) 0.682 14.294 ( -0.000 -0.677 0.562) 0.880 14.318 ( 0.000 0.165 -2.228) 2.234 14.336 ( 0.000 -0.613 -2.297) 2.378 14.732 ( -0.000 -0.331 -2.207) 2.231 14.739 ( 0.000 -0.518 -0.670) 0.847 14.797 ( -0.000 1.167 -4.439) 4.590 14.833 ( 0.000 -0.389 -4.510) 4.527 15.202 ( -0.000 1.950 12.448) 12.600 15.398 ( 0.000 -8.012 12.407) 14.769 15.627 ( 0.000 3.359 -2.406) 4.132 15.795 ( -0.002 -3.449 -11.383) 11.894 15.796 ( 0.002 9.868 8.198) 12.829 16.092 ( 0.000 -4.057 4.562) 6.105 16.191 ( 0.000 3.375 -1.073) 3.542 16.407 ( 0.000 -7.228 -6.518) 9.732 16.764 ( 0.000 10.197 -3.815) 10.887 17.163 ( 0.000 2.519 -13.450) 13.684 17.174 ( -0.000 -9.197 -1.357) 9.296 17.311 ( 0.000 -3.042 -5.741) 6.497 17.725 ( 0.000 6.645 0.994) 6.719 17.961 ( 0.000 -3.563 -0.200) 3.569 17.966 ( -0.000 2.884 -10.143) 10.545 18.087 ( 0.000 -1.982 -5.539) 5.883 ======================= Grid point 187 (67/90) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 0.000 -18.513 11.887) 22.001 2.526 ( 0.000 18.513 11.887) 22.001 2.802 ( 0.000 -15.220 15.181) 21.497 2.802 ( 0.000 15.220 15.181) 21.497 3.497 ( 0.000 -16.200 11.958) 20.136 3.497 ( 0.000 16.200 11.958) 20.136 3.763 ( 0.000 -9.633 5.010) 10.858 3.763 ( 0.000 9.633 5.010) 10.858 4.098 ( 0.000 -1.115 -0.824) 1.386 4.098 ( 0.000 1.115 -0.824) 1.386 4.378 ( 0.000 -3.030 3.546) 4.665 4.378 ( 0.000 3.030 3.546) 4.665 4.605 ( 0.000 -19.451 -9.222) 21.526 4.605 ( 0.000 19.451 -9.222) 21.527 5.247 ( 0.000 -5.118 46.533) 46.814 5.247 ( 0.000 5.118 46.533) 46.814 5.560 ( 0.000 -6.031 -22.248) 23.051 5.560 ( 0.000 6.031 -22.248) 23.051 6.181 ( 0.000 -10.730 -1.812) 10.882 6.181 ( 0.000 10.731 -1.812) 10.883 6.458 ( 0.000 -8.256 -7.358) 11.059 6.458 ( 0.000 8.256 -7.358) 11.059 7.604 ( 0.000 -1.332 1.658) 2.126 7.604 ( 0.000 1.332 1.658) 2.126 7.719 ( 0.000 -1.410 -4.821) 5.023 7.719 ( 0.000 1.410 -4.821) 5.023 7.871 ( 0.000 -0.118 -42.670) 42.670 7.871 ( 0.000 0.118 -42.670) 42.670 8.278 ( 0.000 -0.067 28.078) 28.078 8.278 ( 0.000 0.067 28.078) 28.078 9.439 ( 0.000 -0.106 -20.410) 20.410 9.439 ( 0.000 0.106 -20.410) 20.410 9.771 ( 0.000 -0.505 13.133) 13.142 9.771 ( 0.000 0.505 13.133) 13.142 10.245 ( 0.000 -0.848 -8.448) 8.490 10.245 ( 0.000 0.848 -8.448) 8.490 12.339 ( 0.000 -1.012 1.118) 1.509 12.339 ( 0.000 1.012 1.118) 1.509 12.408 ( 0.000 -0.925 -2.315) 2.493 12.408 ( 0.000 0.925 -2.315) 2.493 12.665 ( 0.000 -1.516 11.022) 11.125 12.665 ( 0.000 1.516 11.022) 11.125 12.928 ( 0.000 -1.160 6.293) 6.399 12.928 ( 0.000 1.160 6.294) 6.399 13.036 ( 0.000 -1.262 -2.832) 3.100 13.036 ( 0.000 1.262 -2.832) 3.100 13.208 ( 0.000 -0.429 -3.971) 3.994 13.208 ( 0.000 0.429 -3.971) 3.994 13.343 ( 0.000 -2.712 -3.067) 4.094 13.343 ( 0.000 2.712 -3.067) 4.094 13.388 ( 0.000 -3.394 -1.718) 3.804 13.388 ( 0.000 3.394 -1.718) 3.804 13.547 ( 0.000 -0.194 2.454) 2.461 13.547 ( 0.000 0.194 2.454) 2.461 13.661 ( 0.000 -1.343 -3.689) 3.926 13.661 ( 0.000 1.343 -3.689) 3.926 13.936 ( 0.000 -1.090 5.933) 6.033 13.936 ( 0.000 1.090 5.933) 6.033 13.998 ( 0.000 -1.609 7.144) 7.323 13.998 ( 0.000 1.609 7.144) 7.323 14.222 ( 0.000 -0.836 -3.678) 3.772 14.222 ( 0.000 0.836 -3.678) 3.772 14.307 ( 0.000 -1.847 -7.360) 7.589 14.307 ( 0.000 1.847 -7.360) 7.589 14.535 ( 0.000 -1.612 4.184) 4.484 14.535 ( 0.000 1.612 4.184) 4.484 14.736 ( 0.000 -2.890 -2.423) 3.772 14.736 ( 0.000 2.890 -2.423) 3.772 15.075 ( 0.000 -2.314 3.252) 3.991 15.075 ( 0.000 2.314 3.252) 3.991 15.223 ( 0.000 -2.608 -5.642) 6.215 15.223 ( 0.000 2.608 -5.642) 6.215 15.556 ( 0.000 -5.359 3.203) 6.243 15.556 ( 0.000 5.359 3.203) 6.243 15.851 ( 0.000 -6.035 -11.316) 12.825 15.851 ( 0.000 6.035 -11.316) 12.825 17.019 ( 0.000 -1.287 14.727) 14.784 17.019 ( 0.000 1.287 14.727) 14.783 17.786 ( 0.000 -6.973 -22.427) 23.486 17.786 ( 0.000 6.973 -22.427) 23.486 18.116 ( 0.000 -0.504 20.770) 20.776 18.116 ( 0.000 0.504 20.770) 20.777 19.035 ( 0.000 -12.177 -20.741) 24.051 19.035 ( 0.000 12.177 -20.741) 24.051 ======================= Grid point 189 (68/90) ======================= q-point: ( 0.10 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 4.287 -15.396 11.507) 19.693 2.569 ( 4.287 15.396 11.507) 19.693 2.775 ( -2.226 -14.722 13.690) 20.227 2.775 ( -2.226 14.722 13.690) 20.227 3.572 ( 6.527 -15.343 7.136) 18.137 3.572 ( 6.527 15.343 7.136) 18.137 3.823 ( 6.021 -7.440 6.785) 11.732 3.823 ( 6.021 7.440 6.785) 11.732 4.076 ( -1.375 -3.780 -0.682) 4.080 4.076 ( -1.375 3.780 -0.682) 4.080 4.388 ( 2.768 -3.061 5.113) 6.570 4.388 ( 2.768 3.061 5.113) 6.570 4.694 ( 7.402 -16.137 -8.262) 19.582 4.694 ( 7.402 16.137 -8.262) 19.582 5.381 ( 10.608 -5.242 23.253) 26.090 5.381 ( 10.608 5.242 23.252) 26.090 5.606 ( 6.743 -4.667 -2.541) 8.585 5.606 ( 6.743 4.667 -2.541) 8.585 6.190 ( 0.780 -8.440 -2.526) 8.844 6.190 ( 0.780 8.440 -2.526) 8.845 6.449 ( -0.130 -5.680 -3.491) 6.669 6.449 ( -0.130 5.680 -3.491) 6.669 7.503 ( -10.144 -2.052 3.839) 11.038 7.503 ( -10.144 2.052 3.839) 11.038 7.672 ( -4.987 -1.877 -3.079) 6.154 7.672 ( -4.987 1.877 -3.079) 6.154 7.981 ( 11.168 -0.556 -44.333) 45.721 7.981 ( 11.168 0.556 -44.333) 45.721 8.159 ( -11.664 -0.179 26.000) 28.498 8.159 ( -11.664 0.179 26.000) 28.497 9.149 ( -22.823 -0.208 -10.408) 25.085 9.149 ( -22.823 0.208 -10.408) 25.085 9.917 ( 8.498 -0.621 1.431) 8.640 9.917 ( 8.498 0.621 1.431) 8.640 10.175 ( -7.241 -0.771 -6.490) 9.754 10.175 ( -7.241 0.771 -6.490) 9.754 12.294 ( -3.699 -0.882 1.993) 4.293 12.294 ( -3.699 0.882 1.993) 4.293 12.385 ( -2.322 -0.778 -2.566) 3.547 12.385 ( -2.322 0.778 -2.566) 3.547 12.713 ( 3.726 -1.249 8.756) 9.598 12.713 ( 3.726 1.249 8.756) 9.598 12.930 ( 0.979 -0.972 6.498) 6.642 12.930 ( 0.979 0.972 6.498) 6.642 13.027 ( -0.827 -0.859 -3.494) 3.691 13.027 ( -0.827 0.859 -3.494) 3.691 13.215 ( 0.520 -0.672 -4.920) 4.993 13.215 ( 0.520 0.673 -4.920) 4.993 13.360 ( 1.992 -2.377 0.952) 3.244 13.360 ( 1.992 2.377 0.952) 3.244 13.462 ( 4.648 -3.182 -0.680) 5.674 13.462 ( 4.648 3.182 -0.680) 5.674 13.553 ( 2.266 -0.528 1.827) 2.958 13.553 ( 2.266 0.528 1.827) 2.958 13.676 ( 1.367 -1.169 -3.223) 3.691 13.676 ( 1.367 1.169 -3.223) 3.691 13.954 ( 1.825 -1.276 5.242) 5.696 13.954 ( 1.825 1.276 5.242) 5.696 14.033 ( 3.292 -1.545 5.427) 6.533 14.033 ( 3.292 1.545 5.427) 6.533 14.217 ( -0.286 -1.263 -2.986) 3.255 14.217 ( -0.286 1.263 -2.986) 3.255 14.333 ( 2.188 -1.903 -7.000) 7.577 14.333 ( 2.188 1.903 -7.000) 7.577 14.542 ( 0.916 -1.448 3.521) 3.916 14.542 ( 0.916 1.449 3.521) 3.916 14.701 ( -2.459 -1.816 -1.089) 3.245 14.701 ( -2.459 1.817 -1.089) 3.245 15.091 ( 1.108 -1.868 2.069) 3.000 15.091 ( 1.108 1.868 2.069) 3.000 15.240 ( 1.890 -2.589 -6.254) 7.027 15.240 ( 1.890 2.589 -6.254) 7.027 15.609 ( 4.979 -5.882 2.795) 8.198 15.609 ( 4.979 5.882 2.795) 8.198 15.877 ( 2.662 -7.844 -10.267) 13.192 15.877 ( 2.662 7.845 -10.267) 13.192 17.017 ( -0.293 -2.289 14.408) 14.592 17.017 ( -0.293 2.290 14.408) 14.592 17.743 ( -4.189 -6.785 -20.419) 21.921 17.743 ( -4.189 6.785 -20.419) 21.921 18.084 ( -3.096 -0.253 19.025) 19.276 18.084 ( -3.096 0.253 19.025) 19.276 18.955 ( -7.878 -11.343 -19.847) 24.179 18.955 ( -7.878 11.343 -19.847) 24.179 ======================= Grid point 191 (69/90) ======================= q-point: ( 0.20 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 5.084 -6.530 8.624) 11.952 2.677 ( 5.084 6.530 8.624) 11.952 2.742 ( 0.332 -12.505 10.040) 16.040 2.742 ( 0.332 12.505 10.040) 16.040 3.675 ( 2.536 -15.735 -1.424) 16.002 3.675 ( 2.536 15.735 -1.424) 16.002 4.005 ( 10.878 -6.183 0.404) 12.519 4.005 ( 10.878 6.183 0.404) 12.519 4.124 ( 9.677 -2.096 11.624) 15.269 4.124 ( 9.677 2.096 11.624) 15.269 4.501 ( 8.196 -2.505 6.811) 10.947 4.501 ( 8.196 2.505 6.811) 10.947 4.855 ( 8.609 -14.090 -6.049) 17.585 4.855 ( 8.609 14.090 -6.049) 17.585 5.528 ( 5.599 -1.778 -17.292) 18.263 5.528 ( 5.599 1.778 -17.292) 18.263 5.873 ( 15.388 -3.751 19.866) 25.407 5.873 ( 15.389 3.752 19.867) 25.408 6.202 ( 0.403 -5.716 -4.350) 7.194 6.202 ( 0.402 5.717 -4.350) 7.195 6.521 ( 10.158 -2.165 14.854) 18.125 6.521 ( 10.158 2.165 14.854) 18.125 7.237 ( -15.581 -3.172 6.312) 17.107 7.237 ( -15.581 3.172 6.312) 17.108 7.526 ( -9.742 -2.393 -3.646) 10.673 7.526 ( -9.742 2.393 -3.646) 10.673 7.828 ( -20.496 -0.532 21.843) 29.958 7.828 ( -20.496 0.532 21.843) 29.958 8.267 ( 12.565 -0.675 -36.991) 39.072 8.267 ( 12.565 0.675 -36.991) 39.072 8.663 ( -22.074 -0.439 -12.628) 25.434 8.663 ( -22.074 0.439 -12.628) 25.434 9.959 ( -14.719 -0.531 -1.198) 14.777 9.959 ( -14.719 0.531 -1.198) 14.777 10.028 ( 2.562 -0.573 -5.907) 6.465 10.028 ( 2.562 0.573 -5.907) 6.465 12.221 ( -3.431 -0.682 2.224) 4.146 12.221 ( -3.431 0.682 2.224) 4.146 12.323 ( -3.738 -0.588 -2.646) 4.617 12.323 ( -3.738 0.588 -2.646) 4.617 12.762 ( 0.833 -0.343 5.548) 5.621 12.762 ( 0.833 0.343 5.548) 5.621 12.990 ( 3.502 -1.174 4.095) 5.515 12.990 ( 3.502 1.174 4.095) 5.515 13.010 ( 0.595 -0.492 -1.400) 1.598 13.010 ( 0.595 0.492 -1.400) 1.599 13.230 ( 1.139 -1.148 -2.539) 3.010 13.230 ( 1.139 1.148 -2.539) 3.011 13.403 ( 1.956 -2.066 3.414) 4.444 13.403 ( 1.956 2.066 3.414) 4.444 13.472 ( -1.568 -1.358 1.493) 2.555 13.472 ( -1.568 1.358 1.493) 2.555 13.686 ( 6.465 -1.377 -0.357) 6.620 13.686 ( 6.465 1.377 -0.357) 6.620 13.712 ( 3.826 -0.560 -1.448) 4.129 13.712 ( 3.826 0.560 -1.448) 4.129 13.998 ( 2.319 -1.459 4.332) 5.126 13.998 ( 2.319 1.459 4.332) 5.126 14.110 ( 4.181 -1.152 1.868) 4.722 14.110 ( 4.181 1.152 1.868) 4.722 14.217 ( 0.328 -1.424 -0.812) 1.672 14.217 ( 0.328 1.424 -0.812) 1.672 14.365 ( 0.355 -1.132 -5.442) 5.570 14.365 ( 0.355 1.132 -5.442) 5.570 14.580 ( 3.075 -1.571 1.877) 3.930 14.580 ( 3.075 1.571 1.877) 3.930 14.689 ( 2.100 -1.033 -0.444) 2.382 14.689 ( 2.100 1.033 -0.444) 2.382 15.103 ( 0.130 -1.265 1.747) 2.161 15.103 ( 0.130 1.265 1.747) 2.161 15.309 ( 5.523 -2.875 -7.385) 9.660 15.309 ( 5.523 2.875 -7.385) 9.660 15.733 ( 7.254 -7.311 1.952) 10.483 15.733 ( 7.254 7.311 1.952) 10.483 15.953 ( 4.998 -10.377 -8.119) 14.092 15.953 ( 4.998 10.377 -8.119) 14.092 17.002 ( -1.424 -4.903 13.440) 14.377 17.002 ( -1.424 4.903 13.439) 14.377 17.635 ( -6.446 -5.778 -16.263) 18.423 17.635 ( -6.446 5.778 -16.263) 18.423 18.003 ( -4.819 -2.245 14.522) 15.465 18.003 ( -4.819 2.245 14.522) 15.465 18.740 ( -13.586 -8.995 -17.664) 24.032 18.740 ( -13.586 8.995 -17.664) 24.032 ======================= Grid point 193 (70/90) ======================= q-point: ( 0.30 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -0.467 -6.696 5.004) 8.372 2.693 ( -0.467 6.696 5.004) 8.372 2.838 ( 5.458 -3.300 1.922) 6.662 2.838 ( 5.458 3.300 1.922) 6.662 3.719 ( 3.898 -12.690 3.030) 13.616 3.719 ( 3.898 12.690 3.030) 13.616 4.150 ( 5.141 -2.698 -7.634) 9.591 4.150 ( 5.141 2.698 -7.634) 9.591 4.491 ( 22.458 -6.200 15.382) 27.918 4.491 ( 22.458 6.200 15.382) 27.918 4.700 ( 13.025 -2.880 9.916) 16.621 4.700 ( 13.025 2.880 9.916) 16.621 5.022 ( 8.367 -10.646 -1.960) 13.682 5.022 ( 8.367 10.647 -1.961) 13.682 5.650 ( 6.427 -5.370 -11.802) 14.472 5.650 ( 6.427 5.370 -11.802) 14.472 6.044 ( 3.237 -5.828 -4.884) 8.264 6.044 ( 3.237 5.828 -4.883) 8.264 6.214 ( 0.857 -7.363 -8.451) 11.241 6.214 ( 0.857 7.363 -8.451) 11.241 6.775 ( 1.547 -1.669 22.045) 22.163 6.775 ( 1.547 1.670 22.045) 22.162 7.020 ( -2.547 -1.119 14.121) 14.392 7.020 ( -2.547 1.119 14.121) 14.392 7.312 ( -6.158 -1.974 20.005) 21.025 7.312 ( -6.158 1.974 20.005) 21.025 7.435 ( -14.727 -2.893 -1.753) 15.111 7.435 ( -14.727 2.894 -1.753) 15.111 7.973 ( -29.630 -0.559 -7.524) 30.576 7.973 ( -29.630 0.559 -7.524) 30.576 8.781 ( 20.981 -0.698 -37.571) 43.038 8.781 ( 20.981 0.698 -37.571) 43.038 9.597 ( -22.189 -0.201 6.192) 23.037 9.597 ( -22.189 0.201 6.192) 23.037 10.014 ( -4.109 -0.350 -12.601) 13.259 10.014 ( -4.109 0.350 -12.601) 13.259 12.166 ( -2.130 -0.589 1.765) 2.829 12.166 ( -2.130 0.589 1.765) 2.829 12.250 ( -3.458 -0.573 -1.987) 4.029 12.250 ( -3.458 0.573 -1.987) 4.029 12.761 ( -0.522 -0.568 4.533) 4.598 12.761 ( -0.522 0.568 4.533) 4.598 12.965 ( -2.279 -0.628 -4.363) 4.962 12.965 ( -2.279 0.628 -4.363) 4.962 13.121 ( 6.324 -1.814 6.270) 9.089 13.121 ( 6.324 1.814 6.270) 9.089 13.262 ( 2.004 -1.119 0.576) 2.367 13.262 ( 2.004 1.119 0.576) 2.367 13.412 ( -1.410 -0.883 2.188) 2.749 13.412 ( -1.410 0.883 2.188) 2.749 13.458 ( 0.665 -1.328 1.169) 1.891 13.458 ( 0.665 1.328 1.169) 1.891 13.724 ( 0.841 -0.697 2.264) 2.514 13.724 ( 0.841 0.697 2.264) 2.514 13.830 ( 4.135 -1.733 -2.752) 5.261 13.830 ( 4.135 1.733 -2.752) 5.261 14.037 ( 1.721 -1.300 5.098) 5.535 14.037 ( 1.721 1.300 5.098) 5.535 14.184 ( 2.993 -0.712 -0.108) 3.078 14.184 ( 2.993 0.712 -0.108) 3.078 14.231 ( 1.209 -1.574 0.627) 2.082 14.231 ( 1.209 1.574 0.627) 2.082 14.348 ( -1.419 -0.522 -3.138) 3.483 14.348 ( -1.419 0.522 -3.138) 3.483 14.651 ( 3.702 -1.704 0.458) 4.101 14.651 ( 3.702 1.704 0.458) 4.101 14.767 ( 4.321 -2.610 -2.832) 5.788 14.767 ( 4.321 2.610 -2.832) 5.788 15.119 ( 2.385 -0.963 5.555) 6.121 15.119 ( 2.385 0.963 5.555) 6.121 15.457 ( 9.079 -2.749 -7.505) 12.096 15.457 ( 9.079 2.749 -7.505) 12.096 15.873 ( 6.357 -7.860 1.550) 10.227 15.873 ( 6.357 7.860 1.550) 10.227 16.070 ( 6.969 -8.050 -6.650) 12.554 16.070 ( 6.969 8.050 -6.650) 12.554 16.961 ( -2.462 -7.902 10.869) 13.662 16.961 ( -2.462 7.902 10.869) 13.662 17.499 ( -7.385 -3.127 -12.711) 15.029 17.499 ( -7.385 3.127 -12.711) 15.029 17.913 ( -3.922 -4.311 8.571) 10.364 17.913 ( -3.922 4.311 8.571) 10.365 18.446 ( -15.630 -5.256 -14.628) 22.043 18.446 ( -15.630 5.256 -14.628) 22.043 ======================= Grid point 195 (71/90) ======================= q-point: ( 0.40 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 0.348 -4.787 1.693) 5.090 2.693 ( 0.348 4.787 1.693) 5.090 2.900 ( 1.044 -7.535 -6.168) 9.793 2.900 ( 1.044 7.535 -6.168) 9.793 3.851 ( 8.550 -4.299 8.733) 12.956 3.851 ( 8.550 4.299 8.733) 12.956 4.207 ( 0.425 -3.165 -3.585) 4.801 4.207 ( 0.425 3.165 -3.585) 4.801 4.804 ( 10.308 -13.744 6.032) 18.208 4.804 ( 10.308 13.744 6.033) 18.209 5.025 ( 10.197 -6.672 1.001) 12.227 5.025 ( 10.197 6.672 1.002) 12.227 5.259 ( 22.447 -2.149 17.149) 28.330 5.259 ( 22.447 2.149 17.149) 28.330 5.712 ( -0.985 -10.268 0.945) 10.358 5.712 ( -0.985 10.268 0.945) 10.358 6.080 ( -0.681 -3.353 -7.189) 7.961 6.080 ( -0.681 3.353 -7.189) 7.961 6.291 ( 10.434 -1.380 -15.328) 18.593 6.291 ( 10.434 1.380 -15.328) 18.593 6.576 ( -23.817 -0.749 15.063) 28.191 6.576 ( -23.817 0.749 15.063) 28.191 6.726 ( -8.951 -0.893 5.621) 10.608 6.726 ( -8.952 0.894 5.621) 10.608 7.165 ( -10.191 -3.043 -8.709) 13.747 7.165 ( -10.191 3.043 -8.709) 13.747 7.391 ( -26.012 -0.894 -8.711) 27.446 7.391 ( -26.012 0.894 -8.711) 27.446 7.786 ( 33.714 -2.525 28.366) 44.132 7.786 ( 33.714 2.525 28.366) 44.132 9.083 ( -26.267 -0.533 11.932) 28.855 9.083 ( -26.267 0.533 11.932) 28.855 9.212 ( 18.110 -0.462 -29.588) 34.694 9.212 ( 18.110 0.462 -29.588) 34.694 9.867 ( -10.747 -0.030 -19.677) 22.420 9.867 ( -10.747 0.030 -19.677) 22.420 12.136 ( -0.954 -0.607 1.324) 1.741 12.136 ( -0.954 0.607 1.324) 1.741 12.195 ( -1.966 -0.655 -1.122) 2.357 12.195 ( -1.966 0.655 -1.122) 2.357 12.750 ( -0.429 -0.605 4.358) 4.420 12.750 ( -0.429 0.605 4.358) 4.420 12.924 ( -1.648 -0.614 -3.408) 3.835 12.924 ( -1.648 0.614 -3.408) 3.835 13.227 ( 4.101 -1.297 4.744) 6.404 13.227 ( 4.101 1.297 4.744) 6.404 13.298 ( 1.470 -0.695 1.320) 2.094 13.298 ( 1.470 0.695 1.320) 2.094 13.379 ( -1.543 -0.763 2.212) 2.803 13.379 ( -1.543 0.763 2.212) 2.803 13.471 ( 0.462 -1.051 -0.403) 1.216 13.471 ( 0.462 1.051 -0.403) 1.216 13.735 ( 0.340 -0.453 4.202) 4.240 13.735 ( 0.340 0.454 4.202) 4.240 13.868 ( 0.372 -0.517 -2.814) 2.885 13.868 ( 0.372 0.517 -2.814) 2.885 14.064 ( 0.887 -0.633 6.109) 6.206 14.064 ( 0.887 0.633 6.109) 6.206 14.221 ( 0.898 -1.532 0.565) 1.863 14.221 ( 0.898 1.532 0.565) 1.863 14.262 ( 1.490 -0.931 -0.084) 1.759 14.262 ( 1.490 0.931 -0.084) 1.759 14.328 ( -0.530 -0.226 -2.338) 2.408 14.328 ( -0.530 0.226 -2.338) 2.408 14.710 ( 2.079 -1.022 -0.754) 2.436 14.710 ( 2.079 1.022 -0.754) 2.436 14.816 ( 0.762 -1.560 -4.759) 5.066 14.816 ( 0.762 1.561 -4.759) 5.066 15.205 ( 5.342 -3.500 10.862) 12.600 15.205 ( 5.342 3.500 10.862) 12.600 15.629 ( 7.432 -0.577 -6.324) 9.775 15.629 ( 7.432 0.577 -6.324) 9.775 15.960 ( 2.223 -6.669 3.773) 7.978 15.960 ( 2.223 6.669 3.773) 7.978 16.212 ( 6.479 -1.645 -5.903) 8.918 16.212 ( 6.479 1.645 -5.903) 8.918 16.935 ( 0.787 -9.794 4.010) 10.613 16.935 ( 0.787 9.794 4.010) 10.613 17.345 ( -8.170 -1.185 -11.016) 13.766 17.345 ( -8.170 1.185 -11.016) 13.766 17.863 ( -1.063 -5.259 3.114) 6.204 17.863 ( -1.063 5.259 3.114) 6.204 18.164 ( -11.947 -0.390 -10.449) 15.876 18.164 ( -11.947 0.390 -10.449) 15.876 ======================= Grid point 197 (72/90) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 0.000 -4.015 0.293) 4.026 2.698 ( 0.000 4.015 0.293) 4.026 2.904 ( -0.000 -8.224 -8.600) 11.899 2.904 ( 0.000 8.224 -8.600) 11.900 3.965 ( -0.000 -4.815 9.339) 10.507 3.965 ( -0.000 4.815 9.339) 10.507 4.192 ( 0.000 -7.427 -0.784) 7.468 4.192 ( 0.000 7.427 -0.784) 7.468 4.930 ( -0.000 -13.352 4.361) 14.046 4.930 ( 0.000 13.353 4.361) 14.047 5.069 ( -0.000 -1.223 1.919) 2.275 5.069 ( 0.000 1.223 1.919) 2.275 5.673 ( 0.000 -7.084 4.896) 8.611 5.673 ( 0.000 7.084 4.896) 8.611 5.717 ( -0.000 -2.918 17.009) 17.257 5.717 ( 0.000 2.918 17.009) 17.258 5.987 ( -0.000 -0.510 6.619) 6.639 5.987 ( 0.000 0.510 6.619) 6.639 6.182 ( 0.000 -0.081 6.410) 6.410 6.182 ( 0.000 0.081 6.410) 6.410 6.561 ( 0.000 -1.540 -8.425) 8.564 6.561 ( -0.000 1.540 -8.425) 8.564 6.618 ( -0.000 -0.196 -11.222) 11.223 6.618 ( 0.000 0.196 -11.221) 11.223 6.977 ( -0.000 -1.123 -8.318) 8.394 6.977 ( -0.000 1.123 -8.318) 8.394 7.127 ( 0.000 -2.643 -11.755) 12.048 7.127 ( 0.000 2.643 -11.755) 12.048 8.463 ( 0.001 -0.510 23.527) 23.533 8.463 ( -0.000 0.510 23.528) 23.533 8.471 ( 0.000 -1.219 22.467) 22.500 8.471 ( -0.001 1.219 22.467) 22.500 9.535 ( 0.000 -0.005 -24.333) 24.333 9.535 ( 0.000 0.005 -24.333) 24.333 9.639 ( -0.000 -0.329 -28.011) 28.013 9.639 ( -0.000 0.329 -28.011) 28.013 12.127 ( 0.000 -0.629 1.163) 1.322 12.127 ( 0.000 0.629 1.163) 1.322 12.176 ( 0.000 -0.698 -0.747) 1.022 12.176 ( 0.000 0.698 -0.747) 1.022 12.746 ( 0.000 -0.600 4.343) 4.385 12.746 ( 0.000 0.600 4.343) 4.385 12.907 ( -0.000 -0.589 -2.936) 2.994 12.907 ( 0.000 0.589 -2.936) 2.994 13.270 ( 0.000 -0.781 3.670) 3.752 13.270 ( 0.000 0.781 3.670) 3.752 13.314 ( 0.000 -0.166 1.127) 1.139 13.314 ( -0.000 0.166 1.127) 1.139 13.361 ( -0.000 -0.113 2.812) 2.815 13.361 ( 0.000 0.113 2.812) 2.815 13.476 ( 0.000 -1.199 -1.064) 1.603 13.476 ( 0.000 1.199 -1.064) 1.603 13.739 ( 0.000 -0.416 4.975) 4.992 13.739 ( 0.000 0.416 4.975) 4.992 13.868 ( 0.000 -0.319 -2.438) 2.459 13.868 ( 0.000 0.319 -2.438) 2.459 14.072 ( 0.000 -0.347 6.372) 6.381 14.072 ( 0.000 0.347 6.372) 6.381 14.228 ( 0.000 -1.932 0.796) 2.089 14.228 ( -0.000 1.932 0.796) 2.089 14.278 ( 0.000 -0.820 -0.092) 0.826 14.278 ( -0.000 0.820 -0.092) 0.826 14.324 ( 0.000 -0.495 -2.435) 2.485 14.324 ( -0.000 0.495 -2.435) 2.485 14.730 ( 0.000 -0.222 -1.263) 1.282 14.730 ( 0.000 0.222 -1.263) 1.282 14.820 ( -0.000 -0.960 -4.814) 4.909 14.820 ( 0.000 0.960 -4.814) 4.909 15.268 ( -0.000 -4.815 12.720) 13.601 15.268 ( 0.000 4.815 12.720) 13.601 15.711 ( 0.000 -4.610 -6.219) 7.741 15.711 ( -0.000 4.610 -6.219) 7.741 15.974 ( 0.000 -7.593 6.474) 9.978 15.974 ( -0.000 7.593 6.474) 9.978 16.281 ( 0.000 -5.423 -4.597) 7.109 16.281 ( 0.000 5.423 -4.597) 7.109 16.973 ( 0.000 -10.483 -2.466) 10.769 16.973 ( 0.000 10.483 -2.466) 10.769 17.232 ( -0.000 -4.135 -10.202) 11.008 17.232 ( 0.000 4.135 -10.201) 11.008 17.861 ( 0.000 -6.233 0.385) 6.245 17.861 ( -0.000 6.233 0.385) 6.245 18.032 ( 0.000 -3.278 -7.404) 8.097 18.032 ( -0.000 3.278 -7.404) 8.097 ======================= Grid point 220 (73/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 0.000 0.000 -40.450) 40.450 2.663 ( 0.000 0.000 40.450) 40.450 2.748 ( 0.000 0.000 -5.682) 5.682 2.748 ( 0.000 0.000 5.682) 5.682 3.462 ( 0.000 0.000 -2.714) 2.714 3.462 ( 0.000 0.000 2.714) 2.714 3.965 ( 0.000 0.000 -10.021) 10.021 3.965 ( 0.000 0.000 10.021) 10.021 4.195 ( 0.000 0.000 -7.886) 7.886 4.195 ( 0.000 0.000 7.886) 7.886 4.496 ( 0.000 0.000 -3.517) 3.517 4.496 ( 0.000 0.000 3.517) 3.517 4.595 ( 0.000 0.000 -36.451) 36.451 4.595 ( 0.000 0.000 36.451) 36.451 5.406 ( 0.000 0.000 -7.720) 7.720 5.406 ( 0.000 0.000 7.720) 7.720 5.474 ( 0.000 0.000 -2.000) 2.000 5.474 ( 0.000 0.000 2.000) 2.000 6.445 ( 0.000 0.000 -11.249) 11.249 6.445 ( 0.000 0.000 11.249) 11.249 6.705 ( 0.000 0.000 -52.020) 52.020 6.705 ( 0.000 0.000 52.020) 52.020 6.806 ( 0.000 0.000 -50.680) 50.680 6.806 ( 0.000 0.000 50.680) 50.680 7.637 ( 0.000 0.000 -2.959) 2.959 7.637 ( 0.000 0.000 2.959) 2.959 7.723 ( 0.000 0.000 -2.951) 2.951 7.723 ( 0.000 0.000 2.951) 2.951 8.890 ( 0.000 0.000 -28.403) 28.403 8.890 ( 0.000 0.000 28.403) 28.403 8.897 ( 0.000 0.000 -28.718) 28.718 8.897 ( 0.000 0.000 28.718) 28.718 10.023 ( 0.000 0.000 -10.771) 10.771 10.023 ( 0.000 0.000 10.771) 10.771 10.058 ( 0.000 0.000 -11.362) 11.362 10.058 ( 0.000 0.000 11.362) 11.362 12.343 ( 0.000 0.000 -1.681) 1.681 12.343 ( 0.000 0.000 1.681) 1.681 12.389 ( 0.000 0.000 -1.590) 1.590 12.389 ( 0.000 0.000 1.590) 1.590 12.853 ( 0.000 0.000 -9.610) 9.610 12.853 ( 0.000 0.000 9.610) 9.610 12.921 ( 0.000 0.000 -9.412) 9.412 12.921 ( 0.000 0.000 9.412) 9.412 13.058 ( 0.000 0.000 -7.518) 7.518 13.058 ( 0.000 0.000 7.518) 7.518 13.113 ( 0.000 0.000 -7.216) 7.216 13.113 ( 0.000 0.000 7.216) 7.216 13.273 ( 0.000 0.000 -0.317) 0.317 13.273 ( 0.000 0.000 0.317) 0.317 13.427 ( 0.000 0.000 -1.751) 1.751 13.427 ( 0.000 0.000 1.751) 1.751 13.578 ( 0.000 0.000 -1.967) 1.967 13.578 ( 0.000 0.000 1.967) 1.967 13.625 ( 0.000 0.000 -3.357) 3.357 13.625 ( 0.000 0.000 3.357) 3.357 14.038 ( 0.000 0.000 -6.661) 6.661 14.038 ( 0.000 0.000 6.661) 6.661 14.092 ( 0.000 0.000 -5.606) 5.606 14.092 ( 0.000 0.000 5.606) 5.606 14.179 ( 0.000 0.000 -9.648) 9.648 14.179 ( 0.000 0.000 9.648) 9.648 14.201 ( 0.000 0.000 -5.497) 5.497 14.201 ( 0.000 0.000 5.497) 5.497 14.594 ( 0.000 0.000 -4.212) 4.212 14.594 ( 0.000 0.000 4.212) 4.212 14.688 ( 0.000 0.000 -5.866) 5.866 14.688 ( 0.000 0.000 5.866) 5.866 15.093 ( 0.000 0.000 -2.506) 2.506 15.093 ( 0.000 0.000 2.506) 2.506 15.161 ( 0.000 0.000 -3.520) 3.520 15.161 ( 0.000 0.000 3.520) 3.520 15.442 ( 0.000 0.000 -6.321) 6.321 15.442 ( 0.000 0.000 6.321) 6.321 15.833 ( 0.000 0.000 -7.272) 7.272 15.833 ( 0.000 0.000 7.272) 7.272 17.248 ( 0.000 0.000 -13.783) 13.783 17.248 ( 0.000 0.000 13.783) 13.783 17.539 ( 0.000 0.000 -26.544) 26.544 17.539 ( 0.000 0.000 26.544) 26.544 18.352 ( 0.000 0.000 -11.789) 11.789 18.352 ( 0.000 0.000 11.789) 11.789 18.752 ( 0.000 0.000 -27.460) 27.460 18.752 ( 0.000 0.000 27.460) 27.460 ======================= Grid point 222 (74/90) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -0.302 0.000 -7.239) 7.245 2.686 ( -0.302 0.000 7.238) 7.245 2.822 ( 10.106 0.000 -25.638) 27.558 2.822 ( 10.106 0.000 25.638) 27.558 3.380 ( -7.197 0.000 -1.136) 7.286 3.380 ( -7.197 0.000 1.136) 7.286 4.020 ( 4.297 0.000 -5.890) 7.291 4.020 ( 4.297 0.000 5.890) 7.291 4.224 ( 3.430 0.000 -8.005) 8.709 4.224 ( 3.430 0.000 8.005) 8.709 4.529 ( 4.479 0.000 -11.708) 12.536 4.529 ( 4.479 0.000 11.708) 12.536 4.681 ( 7.583 0.000 -24.702) 25.839 4.681 ( 7.583 0.000 24.702) 25.840 5.394 ( -1.117 0.000 -6.178) 6.278 5.394 ( -1.117 0.000 6.177) 6.278 5.509 ( 3.752 0.000 -2.415) 4.462 5.509 ( 3.752 0.000 2.415) 4.462 6.417 ( -2.234 0.000 -9.104) 9.374 6.417 ( -2.234 0.000 9.104) 9.374 6.862 ( 15.621 0.000 -53.179) 55.425 6.862 ( 15.621 0.000 53.179) 55.426 6.968 ( 15.080 0.000 -48.098) 50.407 6.968 ( 15.080 0.000 48.098) 50.407 7.541 ( -9.334 0.000 -4.552) 10.385 7.541 ( -9.334 0.000 4.552) 10.385 7.654 ( -6.890 0.000 -4.060) 7.997 7.654 ( -6.890 0.000 4.060) 7.997 8.728 ( -15.724 0.000 -25.432) 29.901 8.728 ( -15.724 0.000 25.432) 29.901 8.738 ( -15.594 0.000 -25.639) 30.008 8.738 ( -15.594 0.000 25.639) 30.008 10.012 ( -1.542 0.000 -6.833) 7.005 10.012 ( -1.542 0.000 6.833) 7.005 10.046 ( -1.696 0.000 -7.135) 7.334 10.046 ( -1.696 0.000 7.135) 7.334 12.316 ( -2.558 0.000 -2.150) 3.342 12.316 ( -2.558 0.000 2.150) 3.342 12.356 ( -3.091 0.000 -2.017) 3.691 12.356 ( -3.091 0.000 2.017) 3.691 12.871 ( 1.455 0.000 -8.255) 8.382 12.871 ( 1.455 0.000 8.255) 8.382 12.914 ( -1.081 0.000 -7.756) 7.831 12.914 ( -1.081 0.000 7.756) 7.831 13.065 ( 1.269 0.000 -7.093) 7.205 13.065 ( 1.269 0.000 7.093) 7.205 13.104 ( 0.804 0.000 -6.932) 6.978 13.104 ( 0.804 0.000 6.932) 6.978 13.346 ( 5.471 0.000 -1.362) 5.638 13.346 ( 5.471 0.000 1.362) 5.638 13.496 ( 4.133 0.000 -2.951) 5.078 13.496 ( 4.133 0.000 2.951) 5.078 13.601 ( 3.065 0.000 -2.121) 3.728 13.601 ( 3.066 0.000 2.121) 3.728 13.619 ( 0.509 0.000 -4.478) 4.507 13.619 ( 0.509 0.000 4.478) 4.507 14.037 ( 0.371 0.000 -3.453) 3.472 14.037 ( 0.371 0.000 3.453) 3.472 14.121 ( 2.195 0.000 -2.615) 3.414 14.121 ( 2.195 0.000 2.615) 3.414 14.192 ( 1.210 0.000 -7.808) 7.901 14.192 ( 1.210 0.000 7.808) 7.901 14.219 ( 1.915 0.000 -2.661) 3.279 14.219 ( 1.915 0.000 2.661) 3.279 14.601 ( 0.798 0.000 -4.120) 4.197 14.601 ( 0.798 0.000 4.120) 4.196 14.670 ( -1.151 0.000 -4.349) 4.498 14.670 ( -1.151 0.000 4.349) 4.498 15.105 ( 1.349 0.000 -2.652) 2.975 15.105 ( 1.349 0.000 2.652) 2.975 15.167 ( 0.697 0.000 -3.669) 3.735 15.167 ( 0.697 0.000 3.669) 3.735 15.462 ( 1.981 0.000 -4.398) 4.823 15.462 ( 1.981 0.000 4.398) 4.823 15.898 ( 6.176 0.000 -7.357) 9.606 15.898 ( 6.176 0.000 7.357) 9.606 17.248 ( 0.042 0.000 -12.153) 12.153 17.248 ( 0.042 0.000 12.153) 12.153 17.491 ( -4.771 0.000 -25.591) 26.032 17.491 ( -4.771 0.000 25.591) 26.032 18.325 ( -2.723 0.000 -11.055) 11.386 18.325 ( -2.723 0.000 11.055) 11.386 18.674 ( -7.866 0.000 -26.585) 27.725 18.674 ( -7.866 0.000 26.585) 27.725 ======================= Grid point 224 (75/90) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -1.610 0.000 -4.587) 4.861 2.661 ( -1.610 0.000 4.587) 4.861 3.106 ( 13.484 0.000 -26.517) 29.748 3.106 ( 13.484 0.000 26.516) 29.748 3.241 ( -1.881 0.000 -13.902) 14.028 3.241 ( -1.881 0.000 13.902) 14.029 4.093 ( 3.057 0.000 -3.014) 4.293 4.093 ( 3.057 0.000 3.014) 4.293 4.335 ( 7.082 0.000 -8.076) 10.742 4.335 ( 7.082 0.000 8.076) 10.742 4.699 ( 13.129 0.000 -17.359) 21.764 4.699 ( 13.129 0.000 17.359) 21.764 4.873 ( 12.103 0.000 -21.672) 24.823 4.873 ( 12.103 0.000 21.672) 24.823 5.360 ( -2.466 0.000 -3.334) 4.147 5.360 ( -2.466 0.000 3.334) 4.147 5.629 ( 8.512 0.000 -3.165) 9.081 5.629 ( 8.512 0.000 3.165) 9.081 6.372 ( -2.369 0.000 -5.291) 5.798 6.372 ( -2.369 0.000 5.291) 5.798 7.247 ( 2.670 0.000 -21.314) 21.480 7.247 ( 2.670 0.000 21.313) 21.480 7.289 ( 16.000 0.000 -36.750) 40.082 7.289 ( 16.001 0.000 36.750) 40.082 7.349 ( 2.453 0.000 -15.265) 15.461 7.349 ( 2.453 0.000 15.265) 15.461 7.498 ( -0.634 0.000 -5.961) 5.995 7.498 ( -0.635 0.000 5.961) 5.995 8.313 ( -25.467 0.000 -20.862) 32.921 8.313 ( -25.467 0.000 20.862) 32.921 8.328 ( -24.899 0.000 -21.013) 32.581 8.328 ( -24.899 0.000 21.013) 32.581 9.942 ( -6.061 0.000 -1.160) 6.171 9.942 ( -6.061 0.000 1.160) 6.171 9.969 ( -6.672 0.000 -1.222) 6.783 9.969 ( -6.672 0.000 1.222) 6.783 12.254 ( -3.387 0.000 -2.456) 4.184 12.254 ( -3.387 0.000 2.456) 4.184 12.285 ( -3.680 0.000 -2.320) 4.350 12.285 ( -3.680 0.000 2.320) 4.350 12.878 ( -1.436 0.000 -6.024) 6.193 12.878 ( -1.436 0.000 6.024) 6.193 12.893 ( -0.365 0.000 -6.064) 6.075 12.893 ( -0.365 0.000 6.064) 6.075 13.109 ( 3.621 0.000 -6.219) 7.196 13.109 ( 3.621 0.000 6.219) 7.196 13.170 ( 4.805 0.000 -5.237) 7.107 13.170 ( 4.805 0.000 5.237) 7.107 13.419 ( 1.389 0.000 -1.718) 2.209 13.419 ( 1.389 0.000 1.718) 2.209 13.519 ( -1.105 0.000 -0.896) 1.423 13.519 ( -1.105 0.000 0.896) 1.423 13.653 ( 4.578 0.000 -2.664) 5.297 13.653 ( 4.578 0.000 2.665) 5.297 13.723 ( 5.809 0.000 -0.987) 5.892 13.723 ( 5.809 0.000 0.987) 5.892 14.065 ( 2.591 0.000 -2.778) 3.799 14.065 ( 2.591 0.000 2.778) 3.799 14.158 ( 1.501 0.000 -1.195) 1.919 14.158 ( 1.501 0.000 1.195) 1.919 14.218 ( 1.168 0.000 -6.469) 6.573 14.218 ( 1.168 0.000 6.469) 6.573 14.267 ( 2.518 0.000 -0.049) 2.518 14.267 ( 2.518 0.000 0.049) 2.518 14.615 ( 0.677 0.000 -3.746) 3.806 14.615 ( 0.677 0.000 3.746) 3.806 14.689 ( 3.336 0.000 -3.017) 4.498 14.689 ( 3.336 0.000 3.017) 4.498 15.153 ( 3.461 0.000 -3.543) 4.953 15.153 ( 3.461 0.000 3.543) 4.953 15.210 ( 5.102 0.000 -7.747) 9.276 15.210 ( 5.102 0.000 7.747) 9.276 15.514 ( 3.094 0.000 -1.171) 3.308 15.514 ( 3.094 0.000 1.171) 3.308 16.050 ( 8.631 0.000 -6.740) 10.951 16.050 ( 8.631 0.000 6.740) 10.951 17.242 ( -1.435 0.000 -5.054) 5.254 17.242 ( -1.435 0.000 5.054) 5.254 17.365 ( -7.103 0.000 -19.874) 21.105 17.365 ( -7.103 0.000 19.874) 21.106 18.249 ( -4.867 0.000 -9.073) 10.296 18.249 ( -4.867 0.000 9.073) 10.296 18.456 ( -13.848 0.000 -23.986) 27.697 18.456 ( -13.848 0.000 23.986) 27.697 ======================= Grid point 226 (76/90) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -1.045 0.000 -5.272) 5.374 2.634 ( -1.045 0.000 5.272) 5.374 3.045 ( -6.720 0.000 -9.053) 11.275 3.045 ( -6.720 0.000 9.053) 11.275 3.597 ( 24.733 0.000 -30.346) 39.149 3.597 ( 24.733 0.000 30.346) 39.149 4.152 ( 3.284 0.000 -8.129) 8.767 4.152 ( 3.284 0.000 8.129) 8.767 4.456 ( 4.441 0.000 -4.202) 6.113 4.456 ( 4.441 0.000 4.202) 6.113 5.041 ( 21.404 0.000 -13.207) 25.151 5.041 ( 21.404 0.000 13.207) 25.151 5.147 ( 11.235 0.000 -14.027) 17.972 5.147 ( 11.235 0.000 14.026) 17.971 5.315 ( 2.395 0.000 -7.271) 7.655 5.315 ( 2.395 0.000 7.271) 7.656 5.833 ( 11.854 0.000 -2.861) 12.194 5.833 ( 11.854 0.000 2.861) 12.194 6.323 ( -2.619 0.000 -1.045) 2.820 6.323 ( -2.619 0.000 1.045) 2.820 6.964 ( -15.787 0.000 -9.949) 18.660 6.964 ( -15.787 0.000 9.949) 18.660 7.134 ( -16.534 0.000 -7.550) 18.176 7.134 ( -16.534 0.000 7.550) 18.176 7.644 ( -13.577 0.000 -23.647) 27.267 7.644 ( -13.577 0.000 23.647) 27.267 7.707 ( -18.851 0.000 -18.399) 26.342 7.707 ( -18.851 0.000 18.399) 26.342 7.931 ( 12.359 0.000 -36.184) 38.236 7.931 ( 12.359 0.000 36.184) 38.236 7.990 ( 17.427 0.000 -36.869) 40.781 7.990 ( 17.427 0.000 36.870) 40.781 9.763 ( -12.340 0.000 -9.867) 15.800 9.763 ( -12.340 0.000 9.867) 15.800 9.774 ( -13.322 0.000 -10.171) 16.761 9.774 ( -13.322 0.000 10.171) 16.761 12.192 ( -2.760 0.000 -2.015) 3.417 12.192 ( -2.760 0.000 2.015) 3.417 12.222 ( -2.614 0.000 -1.990) 3.285 12.222 ( -2.614 0.000 1.990) 3.285 12.849 ( -1.367 0.000 -4.908) 5.095 12.849 ( -1.367 0.000 4.908) 5.095 12.877 ( -1.141 0.000 -4.999) 5.127 12.877 ( -1.141 0.000 4.999) 5.127 13.196 ( 4.661 0.000 -4.055) 6.178 13.196 ( 4.661 0.000 4.055) 6.178 13.257 ( 3.480 0.000 -2.836) 4.489 13.257 ( 3.480 0.000 2.836) 4.489 13.423 ( -0.281 0.000 -0.897) 0.940 13.423 ( -0.281 0.000 0.897) 0.940 13.487 ( -1.652 0.000 -1.203) 2.043 13.487 ( -1.652 0.000 1.203) 2.043 13.746 ( 3.911 0.000 -0.909) 4.015 13.746 ( 3.911 0.000 0.909) 4.015 13.796 ( 1.818 0.000 -3.164) 3.649 13.796 ( 1.818 0.000 3.164) 3.649 14.131 ( 3.580 0.000 -3.552) 5.043 14.131 ( 3.580 0.000 3.552) 5.043 14.182 ( 0.953 0.000 -0.172) 0.968 14.182 ( 0.953 0.000 0.172) 0.968 14.233 ( 0.522 0.000 -4.672) 4.701 14.233 ( 0.522 0.000 4.672) 4.701 14.302 ( 0.993 0.000 -0.744) 1.241 14.302 ( 0.993 0.000 0.744) 1.241 14.650 ( 2.669 0.000 -2.658) 3.767 14.650 ( 2.669 0.000 2.658) 3.767 14.751 ( 2.060 0.000 -3.600) 4.148 14.751 ( 2.060 0.000 3.600) 4.148 15.241 ( 6.040 0.000 -6.806) 9.099 15.241 ( 6.040 0.000 6.806) 9.099 15.416 ( 15.502 0.000 -13.738) 20.713 15.416 ( 15.502 0.000 13.737) 20.713 15.574 ( 2.840 0.000 -1.787) 3.356 15.574 ( 2.840 0.000 1.788) 3.356 16.208 ( 6.669 0.000 -4.171) 7.866 16.208 ( 6.669 0.000 4.171) 7.866 17.119 ( -10.140 0.000 -16.024) 18.963 17.119 ( -10.140 0.000 16.024) 18.963 17.296 ( -0.408 0.000 -0.377) 0.555 17.296 ( -0.408 0.000 0.377) 0.556 18.119 ( -11.603 0.000 -5.274) 12.745 18.119 ( -11.603 0.000 5.274) 12.745 18.178 ( -10.095 0.000 -7.628) 12.653 18.178 ( -10.095 0.000 7.628) 12.653 ======================= Grid point 228 (77/90) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -0.411 0.000 -3.773) 3.795 2.620 ( -0.411 0.000 3.773) 3.795 2.939 ( -3.881 0.000 -9.130) 9.920 2.939 ( -3.881 0.000 9.130) 9.920 4.078 ( 21.323 0.000 -21.107) 30.003 4.078 ( 21.323 0.000 21.107) 30.003 4.231 ( 6.110 0.000 -12.817) 14.199 4.231 ( 6.110 0.000 12.817) 14.199 4.503 ( 0.600 0.000 -1.254) 1.390 4.503 ( 0.600 0.000 1.254) 1.390 5.062 ( -11.781 0.000 -6.285) 13.353 5.062 ( -11.781 0.000 6.285) 13.353 5.509 ( 24.727 0.000 -3.713) 25.004 5.509 ( 24.727 0.000 3.713) 25.004 5.677 ( 25.410 0.000 -17.014) 30.580 5.677 ( 25.410 0.000 17.014) 30.580 6.072 ( 11.867 0.000 -2.152) 12.061 6.072 ( 11.867 0.000 2.152) 12.061 6.271 ( -2.462 0.000 -2.315) 3.380 6.271 ( -2.462 0.000 2.315) 3.380 6.696 ( -11.844 0.000 -7.399) 13.965 6.696 ( -11.844 0.000 7.399) 13.965 6.775 ( -19.671 0.000 -5.272) 20.366 6.775 ( -19.671 0.000 5.272) 20.366 7.105 ( -27.998 0.000 -13.620) 31.135 7.105 ( -27.998 0.000 13.620) 31.135 7.202 ( -23.920 0.000 -8.677) 25.445 7.202 ( -23.920 0.000 8.677) 25.445 8.448 ( 28.889 0.000 -35.955) 46.123 8.448 ( 28.889 0.000 35.955) 46.123 8.509 ( 27.882 0.000 -33.963) 43.942 8.509 ( 27.883 0.000 33.963) 43.942 9.444 ( -20.093 0.000 -19.230) 27.812 9.444 ( -20.093 0.000 19.230) 27.812 9.458 ( -18.884 0.000 -18.426) 26.384 9.458 ( -18.884 0.000 18.426) 26.384 12.150 ( -1.469 0.000 -1.418) 2.042 12.150 ( -1.469 0.000 1.418) 2.042 12.185 ( -1.248 0.000 -1.477) 1.934 12.185 ( -1.248 0.000 1.477) 1.934 12.827 ( -0.778 0.000 -4.158) 4.230 12.827 ( -0.778 0.000 4.158) 4.230 12.856 ( -0.829 0.000 -4.168) 4.250 12.856 ( -0.829 0.000 4.168) 4.250 13.274 ( 2.988 0.000 -2.033) 3.614 13.274 ( 2.988 0.000 2.033) 3.614 13.299 ( 0.939 0.000 -1.178) 1.506 13.299 ( 0.939 0.000 1.178) 1.506 13.416 ( -0.469 0.000 -2.248) 2.296 13.416 ( -0.469 0.000 2.248) 2.296 13.467 ( -0.278 0.000 -2.718) 2.732 13.467 ( -0.278 0.000 2.718) 2.732 13.794 ( 1.080 0.000 -2.297) 2.539 13.794 ( 1.080 0.000 2.297) 2.539 13.815 ( 0.606 0.000 -2.913) 2.975 13.815 ( 0.606 0.000 2.913) 2.975 14.185 ( 1.594 0.000 -4.417) 4.696 14.185 ( 1.594 0.000 4.417) 4.696 14.193 ( 0.209 0.000 -0.540) 0.579 14.193 ( 0.209 0.000 0.540) 0.579 14.247 ( 0.903 0.000 -2.955) 3.090 14.247 ( 0.903 0.000 2.955) 3.090 14.314 ( 0.356 0.000 -0.638) 0.730 14.314 ( 0.356 0.000 0.638) 0.730 14.700 ( 2.045 0.000 -1.969) 2.839 14.700 ( 2.045 0.000 1.969) 2.839 14.768 ( -0.049 0.000 -2.642) 2.642 14.768 ( -0.049 0.000 2.642) 2.642 15.387 ( 8.033 0.000 -11.481) 14.012 15.387 ( 8.033 0.000 11.481) 14.012 15.596 ( 0.551 0.000 -2.301) 2.366 15.596 ( 0.551 0.000 2.301) 2.366 15.786 ( 19.055 0.000 -17.933) 26.166 15.786 ( 19.055 0.000 17.933) 26.167 16.275 ( -0.963 0.000 -1.402) 1.701 16.275 ( -0.963 0.000 1.402) 1.701 16.923 ( -8.620 0.000 -15.334) 17.591 16.923 ( -8.620 0.000 15.334) 17.591 17.295 ( -0.141 0.000 -0.073) 0.159 17.295 ( -0.141 0.000 0.073) 0.159 17.849 ( -11.723 0.000 -11.355) 16.321 17.849 ( -11.723 0.000 11.355) 16.321 18.064 ( -3.926 0.000 -3.246) 5.094 18.064 ( -3.926 0.000 3.246) 5.094 ======================= Grid point 230 (78/90) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -0.000 0.000 -2.733) 2.733 2.616 ( 0.000 0.000 2.733) 2.733 2.900 ( 0.000 0.000 -8.633) 8.633 2.900 ( 0.000 0.000 8.633) 8.633 4.225 ( 0.000 0.000 -10.940) 10.940 4.225 ( -0.000 0.000 10.940) 10.940 4.456 ( 0.000 0.000 -16.433) 16.433 4.456 ( -0.000 0.000 16.433) 16.433 4.492 ( -0.000 0.000 -0.094) 0.094 4.492 ( 0.000 0.000 0.094) 0.094 4.862 ( -0.000 0.000 -13.804) 13.804 4.862 ( 0.000 0.000 13.804) 13.804 5.842 ( 0.000 0.000 -10.170) 10.170 5.842 ( -0.000 0.000 10.170) 10.170 6.072 ( 0.000 0.000 -2.355) 2.355 6.072 ( -0.000 0.000 2.355) 2.355 6.244 ( 0.000 0.000 -16.434) 16.434 6.244 ( 0.000 0.000 16.434) 16.434 6.257 ( 0.000 0.000 -17.627) 17.627 6.257 ( -0.000 0.000 17.627) 17.627 6.433 ( 0.000 0.000 -4.493) 4.493 6.433 ( 0.000 0.000 4.493) 4.493 6.484 ( 0.000 0.000 -1.457) 1.457 6.484 ( -0.000 0.000 1.457) 1.457 6.811 ( 0.000 0.000 -2.444) 2.444 6.811 ( -0.000 0.000 2.444) 2.444 6.925 ( 0.000 0.000 -2.237) 2.237 6.925 ( -0.000 0.000 2.237) 2.237 8.974 ( 0.000 0.000 -27.162) 27.162 8.974 ( -0.000 0.000 27.162) 27.162 8.997 ( 0.000 0.000 -26.636) 26.636 8.997 ( -0.000 0.000 26.636) 26.636 9.034 ( 0.007 0.000 -26.678) 26.678 9.034 ( -0.003 0.000 26.678) 26.678 9.035 ( -0.007 0.000 -28.488) 28.488 9.035 ( 0.003 0.000 28.488) 28.488 12.136 ( 0.000 0.000 -1.165) 1.165 12.136 ( 0.000 0.000 1.165) 1.165 12.172 ( 0.000 0.000 -1.249) 1.249 12.172 ( 0.000 0.000 1.249) 1.249 12.819 ( 0.000 0.000 -3.852) 3.852 12.819 ( 0.000 0.000 3.852) 3.852 12.848 ( -0.000 0.000 -3.838) 3.838 12.848 ( 0.000 0.000 3.838) 3.838 13.305 ( -0.000 0.000 -1.128) 1.128 13.305 ( 0.000 0.000 1.128) 1.128 13.306 ( 0.000 0.000 -0.940) 0.940 13.306 ( -0.000 0.000 0.940) 0.940 13.410 ( 0.000 0.000 -2.239) 2.239 13.410 ( 0.000 0.000 2.239) 2.239 13.467 ( 0.000 0.000 -3.373) 3.373 13.467 ( -0.000 0.000 3.373) 3.373 13.801 ( -0.000 0.000 -2.495) 2.495 13.801 ( 0.000 0.000 2.495) 2.495 13.822 ( 0.000 0.000 -2.496) 2.496 13.822 ( 0.000 0.000 2.496) 2.496 14.195 ( 0.000 0.000 -0.163) 0.163 14.195 ( 0.000 0.000 0.163) 0.163 14.198 ( 0.000 0.000 -5.188) 5.188 14.198 ( -0.000 0.000 5.188) 5.188 14.259 ( -0.000 0.000 -2.163) 2.163 14.259 ( 0.000 0.000 2.163) 2.163 14.317 ( 0.000 0.000 -0.582) 0.582 14.317 ( 0.000 0.000 0.582) 0.582 14.722 ( -0.000 0.000 -1.343) 1.343 14.722 ( 0.000 0.000 1.343) 1.343 14.764 ( 0.000 0.000 -2.279) 2.279 14.764 ( 0.000 0.000 2.279) 2.279 15.493 ( -0.000 0.000 -16.205) 16.205 15.493 ( 0.000 0.000 16.205) 16.205 15.584 ( 0.000 0.000 -0.405) 0.405 15.584 ( -0.000 0.000 0.405) 0.405 16.076 ( 0.000 0.000 -24.040) 24.040 16.076 ( -0.000 0.000 24.040) 24.040 16.179 ( -0.000 0.000 -0.405) 0.405 16.179 ( 0.000 0.000 0.405) 0.405 16.829 ( -0.000 0.000 -13.745) 13.745 16.829 ( 0.000 0.000 13.745) 13.745 17.291 ( 0.000 0.000 -0.782) 0.782 17.291 ( -0.000 0.000 0.782) 0.782 17.727 ( 0.000 0.000 -7.039) 7.039 17.727 ( 0.000 0.000 7.039) 7.039 18.023 ( 0.000 0.000 -2.756) 2.756 18.023 ( 0.000 0.000 2.756) 2.756 ======================= Grid point 242 (79/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 0.000 5.540 -31.062) 31.552 2.739 ( 0.000 5.540 31.062) 31.552 2.770 ( 0.000 1.932 -1.751) 2.608 2.770 ( 0.000 1.932 1.751) 2.608 3.515 ( 0.000 6.359 -6.744) 9.269 3.515 ( 0.000 6.359 6.744) 9.269 3.921 ( 0.000 -5.068 -10.754) 11.888 3.921 ( 0.000 -5.068 10.754) 11.888 4.192 ( 0.000 0.210 -7.460) 7.463 4.192 ( 0.000 0.210 7.460) 7.463 4.392 ( 0.000 -9.173 -10.981) 14.308 4.392 ( 0.000 -9.173 10.981) 14.308 4.667 ( 0.000 6.613 -33.396) 34.045 4.667 ( 0.000 6.613 33.396) 34.045 5.086 ( 0.000 -15.032 -15.531) 21.614 5.086 ( 0.000 -15.032 15.531) 21.614 5.812 ( 0.000 17.204 -7.106) 18.614 5.812 ( 0.000 17.204 7.106) 18.613 6.344 ( 0.000 -8.818 -10.515) 13.723 6.344 ( 0.000 -8.818 10.515) 13.723 6.746 ( 0.000 2.850 -46.806) 46.892 6.746 ( 0.000 2.850 46.806) 46.892 6.805 ( 0.000 -0.176 -49.110) 49.111 6.805 ( 0.000 -0.176 49.111) 49.111 7.650 ( 0.000 1.158 -3.158) 3.364 7.650 ( 0.000 1.158 3.158) 3.364 7.710 ( 0.000 -1.205 -3.209) 3.428 7.710 ( 0.000 -1.205 3.209) 3.428 8.891 ( 0.000 0.124 -28.455) 28.456 8.891 ( 0.000 0.124 28.455) 28.456 8.896 ( 0.000 -0.090 -28.678) 28.678 8.896 ( 0.000 -0.090 28.678) 28.678 10.028 ( 0.000 0.484 -10.861) 10.871 10.028 ( 0.000 0.484 10.861) 10.871 10.053 ( 0.000 -0.475 -11.278) 11.288 10.053 ( 0.000 -0.475 11.278) 11.288 12.350 ( 0.000 0.685 -1.646) 1.783 12.350 ( 0.000 0.685 1.646) 1.783 12.383 ( 0.000 -0.602 -1.583) 1.694 12.383 ( 0.000 -0.602 1.583) 1.694 12.862 ( 0.000 0.895 -9.493) 9.535 12.862 ( 0.000 0.895 9.493) 9.535 12.910 ( 0.000 -0.972 -9.389) 9.439 12.910 ( 0.000 -0.972 9.389) 9.439 13.065 ( 0.000 0.689 -7.394) 7.426 13.065 ( 0.000 0.689 7.394) 7.426 13.104 ( 0.000 -0.833 -7.270) 7.317 13.104 ( 0.000 -0.833 7.270) 7.317 13.293 ( 0.000 1.936 -1.279) 2.320 13.293 ( 0.000 1.936 1.279) 2.320 13.402 ( 0.000 -2.344 -2.173) 3.196 13.402 ( 0.000 -2.344 2.173) 3.196 13.583 ( 0.000 0.537 -2.072) 2.140 13.583 ( 0.000 0.537 2.072) 2.140 13.616 ( 0.000 -0.787 -3.035) 3.136 13.616 ( 0.000 -0.787 3.035) 3.136 14.049 ( 0.000 1.029 -6.718) 6.797 14.049 ( 0.000 1.029 6.718) 6.797 14.100 ( 0.000 0.200 -4.328) 4.333 14.100 ( 0.000 0.200 4.328) 4.333 14.160 ( 0.000 -1.067 -8.090) 8.160 14.160 ( 0.000 -1.067 8.090) 8.160 14.191 ( 0.000 -0.955 -5.473) 5.556 14.191 ( 0.000 -0.955 5.473) 5.556 14.611 ( 0.000 1.505 -4.729) 4.963 14.611 ( 0.000 1.505 4.729) 4.963 14.677 ( 0.000 -1.133 -5.801) 5.911 14.677 ( 0.000 -1.133 5.801) 5.911 15.104 ( 0.000 1.003 -2.611) 2.797 15.104 ( 0.000 1.003 2.611) 2.797 15.152 ( 0.000 -0.892 -3.348) 3.465 15.152 ( 0.000 -0.892 3.348) 3.465 15.511 ( 0.000 6.244 -6.278) 8.854 15.511 ( 0.000 6.244 6.278) 8.854 15.786 ( 0.000 -4.639 -7.141) 8.516 15.786 ( 0.000 -4.639 7.141) 8.516 17.275 ( 0.000 2.777 -14.711) 14.971 17.275 ( 0.000 2.777 14.711) 14.971 17.474 ( 0.000 -5.532 -22.881) 23.540 17.474 ( 0.000 -5.532 22.881) 23.540 18.430 ( 0.000 6.820 -15.828) 17.235 18.430 ( 0.000 6.820 15.828) 17.235 18.706 ( 0.000 -4.502 -26.077) 26.463 18.706 ( 0.000 -4.502 26.077) 26.463 ======================= Grid point 244 (80/90) ======================= q-point: ( 0.10 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -1.052 3.871 -3.543) 5.352 2.733 ( -1.052 3.871 3.543) 5.352 2.839 ( 6.861 0.596 -21.506) 22.582 2.839 ( 6.861 0.596 21.506) 22.582 3.464 ( -3.770 9.117 -5.955) 11.524 3.464 ( -3.770 9.117 5.955) 11.524 3.957 ( 2.783 -6.924 -4.418) 8.672 3.957 ( 2.783 -6.924 4.418) 8.672 4.232 ( 4.465 1.296 -9.344) 10.437 4.232 ( 4.465 1.296 9.344) 10.437 4.450 ( 5.989 -7.720 -8.285) 12.811 4.450 ( 5.989 -7.720 8.285) 12.811 4.731 ( 6.199 5.360 -28.636) 29.785 4.731 ( 6.199 5.360 28.636) 29.785 5.110 ( 2.636 -14.053 -14.391) 20.287 5.110 ( 2.636 -14.053 14.391) 20.287 5.817 ( 0.496 16.727 -6.309) 17.884 5.817 ( 0.496 16.727 6.309) 17.884 6.332 ( -1.253 -7.980 -7.316) 10.898 6.332 ( -1.253 -7.980 7.316) 10.898 6.890 ( 14.644 2.281 -49.129) 51.316 6.890 ( 14.644 2.281 49.130) 51.316 6.961 ( 14.638 -0.769 -46.976) 49.210 6.961 ( 14.638 -0.769 46.976) 49.210 7.559 ( -8.764 1.671 -4.701) 10.085 7.559 ( -8.764 1.671 4.701) 10.085 7.639 ( -7.063 -1.460 -4.377) 8.437 7.639 ( -7.063 -1.460 4.377) 8.437 8.730 ( -15.708 0.148 -25.467) 29.922 8.730 ( -15.708 0.148 25.467) 29.922 8.736 ( -15.615 -0.118 -25.613) 29.998 8.736 ( -15.615 -0.118 25.613) 29.998 10.017 ( -1.568 0.470 -6.878) 7.070 10.017 ( -1.568 0.470 6.878) 7.070 10.041 ( -1.676 -0.465 -7.091) 7.302 10.041 ( -1.676 -0.465 7.091) 7.302 12.322 ( -2.652 0.579 -2.112) 3.439 12.322 ( -2.652 0.579 2.112) 3.439 12.350 ( -3.033 -0.524 -2.019) 3.681 12.350 ( -3.033 -0.524 2.019) 3.681 12.878 ( 1.172 0.656 -7.968) 8.081 12.878 ( 1.172 0.656 7.968) 8.081 12.909 ( -0.602 -0.520 -7.625) 7.667 12.909 ( -0.602 -0.520 7.625) 7.667 13.068 ( 1.116 0.386 -7.108) 7.206 13.068 ( 1.116 0.386 7.108) 7.206 13.097 ( 0.787 -0.698 -7.015) 7.094 13.097 ( 0.787 -0.698 7.015) 7.094 13.366 ( 5.458 1.966 -2.082) 6.164 13.366 ( 5.458 1.966 2.082) 6.164 13.473 ( 4.694 -2.179 -3.207) 6.088 13.473 ( 4.694 -2.179 3.207) 6.088 13.601 ( 2.520 0.073 -2.236) 3.370 13.601 ( 2.520 0.073 2.236) 3.370 13.613 ( 0.656 -0.441 -3.838) 3.919 13.613 ( 0.656 -0.441 3.838) 3.919 14.048 ( 0.334 1.101 -4.485) 4.631 14.048 ( 0.334 1.101 4.485) 4.631 14.115 ( 1.078 -1.007 -3.403) 3.709 14.115 ( 1.078 -1.007 3.403) 3.709 14.184 ( 2.323 -0.152 -5.477) 5.952 14.184 ( 2.323 -0.152 5.477) 5.952 14.213 ( 2.132 -0.610 -3.635) 4.258 14.213 ( 2.132 -0.610 3.635) 4.258 14.612 ( 0.264 0.983 -4.246) 4.366 14.612 ( 0.264 0.983 4.246) 4.366 14.661 ( -1.053 -0.925 -4.418) 4.635 14.661 ( -1.053 -0.925 4.418) 4.635 15.114 ( 1.113 0.820 -2.830) 3.150 15.114 ( 1.113 0.820 2.830) 3.150 15.157 ( 0.625 -0.890 -3.463) 3.630 15.157 ( 0.625 -0.890 3.463) 3.630 15.539 ( 2.751 6.919 -4.955) 8.944 15.539 ( 2.751 6.919 4.955) 8.944 15.844 ( 5.560 -5.255 -7.030) 10.390 15.844 ( 5.560 -5.255 7.030) 10.390 17.273 ( -0.251 2.462 -13.270) 13.498 17.273 ( -0.251 2.462 13.270) 13.499 17.440 ( -3.433 -4.431 -22.087) 22.787 17.440 ( -3.433 -4.431 22.087) 22.787 18.390 ( -3.977 5.781 -14.825) 16.402 18.390 ( -3.977 5.781 14.825) 16.402 18.632 ( -7.398 -4.046 -25.157) 26.532 18.632 ( -7.398 -4.045 25.157) 26.532 ======================= Grid point 246 (81/90) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -1.473 4.309 -3.343) 5.649 2.706 ( -1.473 4.309 3.343) 5.649 2.969 ( 3.745 -7.988 -10.312) 13.571 2.969 ( 3.745 -7.989 10.312) 13.571 3.456 ( 5.737 15.200 -14.093) 21.508 3.456 ( 5.737 15.200 14.093) 21.508 4.013 ( 3.069 -8.073 -5.672) 10.332 4.013 ( 3.069 -8.073 5.672) 10.332 4.365 ( 8.338 3.266 -8.923) 12.642 4.365 ( 8.338 3.266 8.923) 12.642 4.634 ( 12.875 -6.807 -8.387) 16.806 4.634 ( 12.875 -6.807 8.387) 16.806 4.903 ( 11.446 3.659 -24.394) 27.193 4.903 ( 11.446 3.659 24.394) 27.193 5.189 ( 5.136 -10.334 -12.120) 16.735 5.189 ( 5.136 -10.334 12.120) 16.735 5.836 ( 1.700 13.993 -5.587) 15.163 5.836 ( 1.700 13.993 5.587) 15.163 6.299 ( -2.118 -7.061 -4.975) 8.893 6.299 ( -2.118 -7.061 4.975) 8.893 7.245 ( 5.171 0.205 -14.465) 15.363 7.245 ( 5.171 0.205 14.465) 15.363 7.283 ( 12.328 -0.854 -7.320) 14.363 7.283 ( 12.328 -0.854 7.320) 14.363 7.382 ( 2.690 2.963 -10.581) 11.312 7.382 ( 2.690 2.963 10.581) 11.312 7.486 ( 0.301 -1.295 -9.564) 9.656 7.486 ( 0.301 -1.295 9.564) 9.656 8.315 ( -25.374 0.225 -20.866) 32.853 8.315 ( -25.374 0.225 20.866) 32.853 8.326 ( -24.968 -0.193 -20.972) 32.608 8.326 ( -24.968 -0.193 20.972) 32.608 9.946 ( -6.153 0.364 -1.173) 6.274 9.946 ( -6.153 0.364 1.173) 6.274 9.965 ( -6.585 -0.368 -1.217) 6.706 9.965 ( -6.585 -0.368 1.217) 6.706 12.259 ( -3.444 0.428 -2.433) 4.239 12.259 ( -3.444 0.428 2.433) 4.239 12.281 ( -3.654 -0.431 -2.337) 4.359 12.281 ( -3.654 -0.431 2.337) 4.359 12.881 ( -1.294 0.239 -5.689) 5.840 12.881 ( -1.294 0.239 5.689) 5.840 12.892 ( -0.635 -0.122 -5.721) 5.758 12.892 ( -0.635 -0.122 5.721) 5.758 13.117 ( 3.917 0.737 -6.122) 7.306 13.117 ( 3.917 0.737 6.122) 7.306 13.160 ( 4.751 -0.938 -5.419) 7.268 13.160 ( 4.751 -0.938 5.419) 7.268 13.434 ( 0.986 1.465 -1.968) 2.644 13.434 ( 0.986 1.465 1.968) 2.644 13.506 ( -0.846 -1.302 -1.408) 2.096 13.506 ( -0.846 -1.302 1.408) 2.096 13.661 ( 4.918 0.785 -1.988) 5.362 13.661 ( 4.918 0.785 1.988) 5.362 13.710 ( 5.913 -1.173 -0.654) 6.063 13.710 ( 5.913 -1.173 0.654) 6.063 14.072 ( 2.236 0.793 -3.493) 4.223 14.072 ( 2.236 0.793 3.493) 4.223 14.137 ( 1.276 -1.780 -2.993) 3.709 14.137 ( 1.276 -1.780 2.993) 3.709 14.231 ( 1.815 0.956 -4.511) 4.955 14.231 ( 1.815 0.956 4.511) 4.955 14.263 ( 2.435 -0.450 -1.315) 2.804 14.263 ( 2.435 -0.450 1.315) 2.804 14.623 ( 0.990 0.749 -3.546) 3.757 14.623 ( 0.990 0.749 3.546) 3.757 14.673 ( 2.769 -1.360 -2.988) 4.295 14.673 ( 2.769 -1.360 2.988) 4.295 15.156 ( 3.345 0.351 -4.220) 5.396 15.156 ( 3.345 0.351 4.219) 5.396 15.192 ( 3.826 -1.310 -6.291) 7.479 15.192 ( 3.826 -1.310 6.291) 7.479 15.612 ( 4.614 8.584 -3.122) 10.233 15.612 ( 4.614 8.584 3.122) 10.233 15.982 ( 7.919 -6.525 -6.402) 12.095 15.982 ( 7.919 -6.525 6.402) 12.095 17.260 ( -1.656 1.668 -7.265) 7.636 17.260 ( -1.656 1.668 7.265) 7.635 17.346 ( -5.577 -1.769 -17.241) 18.207 17.346 ( -5.578 -1.769 17.242) 18.207 18.282 ( -6.672 3.092 -12.039) 14.107 18.282 ( -6.672 3.092 12.039) 14.107 18.428 ( -12.893 -2.662 -22.379) 25.964 18.428 ( -12.893 -2.662 22.379) 25.964 ======================= Grid point 248 (82/90) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -1.164 4.430 -4.846) 6.668 2.680 ( -1.164 4.430 4.846) 6.668 2.956 ( -3.448 -7.356 -5.205) 9.648 2.956 ( -3.448 -7.356 5.205) 9.648 3.705 ( 17.252 9.092 -21.704) 29.178 3.705 ( 17.252 9.092 21.704) 29.178 4.085 ( 4.480 -6.730 -7.989) 11.367 4.085 ( 4.480 -6.730 7.989) 11.367 4.521 ( 6.848 6.962 -5.370) 11.145 4.521 ( 6.848 6.962 5.370) 11.145 4.938 ( 16.295 -9.048 -2.441) 18.798 4.938 ( 16.295 -9.048 2.441) 18.798 5.186 ( 16.659 3.177 -18.713) 25.255 5.186 ( 16.659 3.177 18.713) 25.254 5.311 ( 9.035 -1.288 -10.115) 13.624 5.311 ( 9.035 -1.288 10.116) 13.624 5.893 ( 4.356 6.306 -4.404) 8.840 5.893 ( 4.356 6.306 4.405) 8.840 6.248 ( -3.064 -7.081 -3.263) 8.377 6.248 ( -3.064 -7.081 3.263) 8.377 7.000 ( -14.888 3.161 -9.709) 18.053 7.000 ( -14.888 3.161 9.709) 18.053 7.118 ( -15.583 -1.609 -8.407) 17.779 7.118 ( -15.583 -1.609 8.407) 17.779 7.653 ( -14.734 0.861 -22.096) 26.572 7.653 ( -14.734 0.861 22.096) 26.572 7.698 ( -18.374 -0.905 -18.245) 25.909 7.698 ( -18.374 -0.905 18.245) 25.909 7.943 ( 13.179 1.062 -35.902) 38.260 7.943 ( 13.179 1.062 35.902) 38.260 7.984 ( 16.750 -0.566 -36.498) 40.162 7.984 ( 16.750 -0.566 36.498) 40.162 9.765 ( -12.480 0.141 -9.914) 15.939 9.765 ( -12.480 0.141 9.914) 15.939 9.772 ( -13.174 -0.144 -10.129) 16.619 9.772 ( -13.174 -0.144 10.129) 16.619 12.197 ( -2.741 0.398 -2.021) 3.429 12.197 ( -2.741 0.398 2.021) 3.429 12.218 ( -2.639 -0.429 -2.002) 3.340 12.218 ( -2.639 -0.429 2.002) 3.340 12.853 ( -1.338 0.391 -4.916) 5.110 12.853 ( -1.338 0.391 4.916) 5.110 12.873 ( -1.194 -0.389 -4.977) 5.133 12.873 ( -1.194 -0.389 4.977) 5.133 13.206 ( 4.639 0.939 -3.937) 6.156 13.206 ( 4.639 0.939 3.937) 6.156 13.250 ( 3.812 -0.723 -3.074) 4.951 13.250 ( 3.812 -0.723 3.074) 4.951 13.432 ( -0.612 0.813 -1.109) 1.505 13.432 ( -0.612 0.813 1.109) 1.505 13.477 ( -1.573 -0.938 -1.325) 2.261 13.477 ( -1.573 -0.938 1.325) 2.261 13.754 ( 3.717 0.765 -1.477) 4.072 13.754 ( 3.717 0.765 1.477) 4.072 13.790 ( 2.233 -0.589 -3.024) 3.805 13.790 ( 2.233 -0.589 3.024) 3.805 14.131 ( 3.282 0.117 -3.651) 4.911 14.131 ( 3.282 0.117 3.651) 4.911 14.166 ( 1.473 -1.290 -2.202) 2.946 14.166 ( 1.473 -1.290 2.202) 2.946 14.250 ( 0.400 1.255 -3.893) 4.110 14.250 ( 0.400 1.255 3.893) 4.110 14.294 ( 0.807 -0.726 -1.880) 2.171 14.294 ( 0.807 -0.726 1.880) 2.171 14.662 ( 2.712 1.216 -2.890) 4.145 14.662 ( 2.712 1.216 2.890) 4.145 14.733 ( 2.348 -1.656 -3.549) 4.566 14.733 ( 2.348 -1.656 3.549) 4.566 15.248 ( 6.468 0.782 -7.118) 9.649 15.248 ( 6.468 0.782 7.118) 9.649 15.339 ( 10.566 -4.303 -9.675) 14.959 15.339 ( 10.566 -4.303 9.676) 14.959 15.719 ( 6.535 10.664 -3.722) 13.049 15.719 ( 6.535 10.664 3.722) 13.049 16.131 ( 6.641 -7.262 -4.533) 10.835 16.131 ( 6.641 -7.262 4.533) 10.835 17.154 ( -8.607 3.075 -13.707) 16.475 17.154 ( -8.607 3.075 13.707) 16.475 17.277 ( -1.816 -1.908 -3.610) 4.469 17.277 ( -1.816 -1.908 3.611) 4.470 18.126 ( -11.268 0.729 -3.448) 11.806 18.126 ( -11.268 0.729 3.448) 11.806 18.169 ( -10.202 -0.913 -5.926) 11.833 18.169 ( -10.202 -0.913 5.926) 11.833 ======================= Grid point 250 (83/90) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -0.621 4.045 -4.113) 5.802 2.662 ( -0.621 4.045 4.113) 5.802 2.887 ( -2.846 -4.793 -7.607) 9.430 2.887 ( -2.846 -4.793 7.607) 9.430 4.018 ( 11.348 -1.630 -8.476) 14.258 4.018 ( 11.348 -1.630 8.476) 14.258 4.201 ( 7.862 -6.390 -3.741) 10.800 4.201 ( 7.862 -6.390 3.741) 10.800 4.632 ( 4.979 13.589 -5.457) 15.467 4.632 ( 4.979 13.589 5.458) 15.468 5.102 ( -1.225 -0.656 -2.366) 2.743 5.102 ( -1.225 -0.656 2.366) 2.743 5.517 ( 19.019 2.642 -5.262) 19.910 5.517 ( 19.019 2.642 5.262) 19.910 5.673 ( 24.086 -0.742 -15.627) 28.721 5.673 ( 24.086 -0.742 15.627) 28.721 6.021 ( 9.177 -3.008 -5.436) 11.082 6.021 ( 9.176 -3.008 5.436) 11.082 6.186 ( -2.321 -7.571 -4.279) 9.001 6.186 ( -2.321 -7.571 4.280) 9.001 6.736 ( -13.196 3.027 -6.358) 14.957 6.736 ( -13.196 3.027 6.358) 14.957 6.786 ( -18.479 0.597 -5.503) 19.290 6.786 ( -18.479 0.597 5.503) 19.290 7.123 ( -26.383 1.685 -12.096) 29.073 7.123 ( -26.383 1.685 12.096) 29.073 7.194 ( -23.346 -0.907 -8.755) 24.950 7.194 ( -23.346 -0.907 8.755) 24.950 8.458 ( 28.627 0.893 -35.550) 45.652 8.458 ( 28.627 0.893 35.550) 45.652 8.501 ( 27.914 -0.788 -34.138) 44.105 8.501 ( 27.914 -0.788 34.139) 44.105 9.446 ( -19.881 0.209 -19.094) 27.566 9.446 ( -19.881 0.209 19.094) 27.566 9.456 ( -19.027 -0.166 -18.526) 26.557 9.456 ( -19.027 -0.166 18.526) 26.557 12.155 ( -1.435 0.458 -1.442) 2.085 12.155 ( -1.435 0.458 1.442) 2.085 12.179 ( -1.279 -0.489 -1.483) 2.019 12.179 ( -1.279 -0.489 1.483) 2.019 12.831 ( -0.780 0.400 -4.163) 4.254 12.831 ( -0.780 0.400 4.163) 4.254 12.852 ( -0.820 -0.403 -4.168) 4.267 12.852 ( -0.820 -0.403 4.168) 4.267 13.282 ( 2.823 0.673 -1.951) 3.497 13.282 ( 2.823 0.673 1.951) 3.497 13.299 ( 1.288 -0.006 -1.291) 1.824 13.299 ( 1.288 -0.006 1.291) 1.824 13.420 ( -0.557 0.430 -2.382) 2.484 13.420 ( -0.557 0.430 2.382) 2.484 13.457 ( -0.362 -0.957 -2.749) 2.933 13.457 ( -0.362 -0.957 2.749) 2.933 13.799 ( 1.048 0.445 -2.496) 2.743 13.799 ( 1.048 0.445 2.496) 2.743 13.814 ( 0.667 -0.107 -2.881) 2.959 13.814 ( 0.667 -0.107 2.881) 2.959 14.182 ( 1.625 -0.192 -3.613) 3.966 14.182 ( 1.625 -0.192 3.613) 3.966 14.188 ( 0.697 -0.421 -1.700) 1.884 14.188 ( 0.697 -0.421 1.700) 1.884 14.258 ( 0.509 0.920 -2.543) 2.752 14.258 ( 0.509 0.920 2.543) 2.752 14.303 ( 0.287 -0.952 -1.071) 1.461 14.303 ( 0.287 -0.952 1.071) 1.461 14.709 ( 1.753 0.874 -2.308) 3.028 14.709 ( 1.753 0.875 2.308) 3.028 14.756 ( 0.286 -1.033 -2.755) 2.957 14.756 ( 0.286 -1.033 2.756) 2.957 15.401 ( 8.084 1.386 -11.040) 13.753 15.401 ( 8.084 1.386 11.040) 13.753 15.524 ( 6.006 -4.720 -5.220) 9.251 15.524 ( 6.006 -4.720 5.220) 9.252 15.896 ( 11.850 8.351 -10.061) 17.646 15.896 ( 11.850 8.351 10.061) 17.646 16.214 ( 0.991 -5.617 -0.911) 5.776 16.214 ( 0.991 -5.617 0.911) 5.776 16.979 ( -8.149 5.145 -13.180) 16.328 16.979 ( -8.149 5.145 13.180) 16.328 17.235 ( -2.525 -5.390 -4.537) 7.484 17.235 ( -2.525 -5.390 4.537) 7.484 17.891 ( -9.586 3.654 -9.327) 13.865 17.891 ( -9.586 3.654 9.327) 13.865 18.039 ( -4.544 -2.421 -3.999) 6.520 18.039 ( -4.544 -2.421 3.999) 6.520 ======================= Grid point 252 (84/90) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 0.000 3.799 -3.328) 5.051 2.656 ( 0.000 3.799 3.328) 5.051 2.858 ( 0.000 -3.996 -7.436) 8.442 2.858 ( 0.000 -3.996 7.436) 8.442 4.115 ( -0.000 -4.110 -4.709) 6.250 4.115 ( 0.000 -4.110 4.709) 6.250 4.312 ( 0.000 -11.696 -5.170) 12.788 4.312 ( -0.000 -11.696 5.170) 12.788 4.707 ( 0.000 17.586 -8.651) 19.599 4.707 ( -0.000 17.586 8.651) 19.599 5.039 ( -0.000 9.664 -7.009) 11.938 5.039 ( 0.000 9.664 7.009) 11.939 5.759 ( 0.000 -5.545 -9.198) 10.740 5.759 ( -0.000 -5.545 9.198) 10.740 5.981 ( 0.000 -8.573 -4.044) 9.479 5.981 ( -0.000 -8.573 4.044) 9.479 6.253 ( -0.000 0.712 -17.332) 17.346 6.253 ( 0.000 0.712 17.332) 17.346 6.263 ( -0.000 0.402 -16.672) 16.677 6.263 ( -0.000 0.402 16.672) 16.677 6.418 ( 0.000 -0.942 -8.401) 8.454 6.418 ( -0.000 -0.942 8.401) 8.454 6.449 ( 0.000 -2.565 -8.005) 8.406 6.449 ( -0.000 -2.565 8.005) 8.406 6.866 ( -0.000 4.199 -3.540) 5.492 6.866 ( 0.000 4.199 3.540) 5.492 6.942 ( -0.000 0.939 -4.803) 4.894 6.942 ( 0.000 0.939 4.803) 4.894 8.972 ( 0.000 -0.133 -19.706) 19.706 8.972 ( -0.000 -0.133 19.706) 19.706 8.986 ( 0.000 -0.776 -14.656) 14.676 8.986 ( 0.000 -0.776 14.656) 14.676 9.041 ( 0.005 0.441 -21.559) 21.564 9.041 ( -0.002 0.441 21.559) 21.564 9.041 ( -0.004 0.499 -15.880) 15.888 9.041 ( 0.000 0.499 15.880) 15.888 12.141 ( 0.000 0.492 -1.196) 1.293 12.141 ( 0.000 0.492 1.196) 1.293 12.167 ( 0.000 -0.521 -1.255) 1.359 12.167 ( 0.000 -0.521 1.255) 1.359 12.823 ( 0.000 0.396 -3.854) 3.874 12.823 ( 0.000 0.396 3.854) 3.874 12.844 ( 0.000 -0.393 -3.842) 3.862 12.844 ( 0.000 -0.393 3.842) 3.862 13.309 ( 0.000 0.330 -0.910) 0.968 13.309 ( 0.000 0.330 0.910) 0.968 13.311 ( 0.000 0.428 -1.104) 1.184 13.311 ( -0.000 0.428 1.104) 1.184 13.413 ( 0.000 0.444 -2.521) 2.560 13.413 ( 0.000 0.444 2.521) 2.560 13.456 ( 0.000 -1.057 -3.337) 3.500 13.456 ( -0.000 -1.057 3.337) 3.500 13.807 ( -0.000 0.474 -2.610) 2.653 13.807 ( -0.000 0.474 2.610) 2.653 13.821 ( 0.000 -0.121 -2.554) 2.557 13.821 ( 0.000 -0.121 2.554) 2.557 14.194 ( 0.000 -0.061 -2.868) 2.868 14.194 ( 0.000 -0.061 2.868) 2.868 14.196 ( 0.000 -0.149 -5.081) 5.084 14.196 ( -0.000 -0.149 5.081) 5.084 14.265 ( -0.000 0.612 -1.763) 1.866 14.265 ( 0.000 0.612 1.763) 1.866 14.307 ( 0.000 -0.992 -0.724) 1.228 14.307 ( 0.000 -0.992 0.724) 1.228 14.727 ( 0.000 0.519 -1.759) 1.834 14.727 ( 0.000 0.519 1.759) 1.834 14.757 ( 0.000 -0.668 -2.364) 2.456 14.757 ( 0.000 -0.668 2.364) 2.456 15.503 ( -0.000 0.971 -14.991) 15.023 15.503 ( 0.000 0.971 14.991) 15.023 15.566 ( 0.000 -1.613 -4.073) 4.381 15.566 ( 0.000 -1.613 4.074) 4.381 16.095 ( 0.000 1.716 -18.023) 18.105 16.095 ( -0.000 1.717 18.023) 18.105 16.166 ( 0.000 -1.188 -2.162) 2.467 16.166 ( -0.000 -1.188 2.162) 2.467 16.887 ( -0.000 5.505 -11.522) 12.770 16.887 ( 0.000 5.505 11.522) 12.770 17.202 ( 0.000 -7.600 -3.850) 8.519 17.202 ( 0.000 -7.599 3.850) 8.519 17.794 ( 0.000 5.508 -5.699) 7.925 17.794 ( 0.000 5.508 5.699) 7.925 17.992 ( 0.000 -3.001 -3.102) 4.316 17.992 ( 0.000 -3.001 3.102) 4.316 ======================= Grid point 264 (85/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 0.000 -0.009 -11.100) 11.100 2.799 ( 0.000 0.009 -11.100) 11.100 2.799 ( 0.000 -0.009 11.100) 11.100 2.799 ( 0.000 0.009 11.100) 11.100 3.730 ( 0.000 -13.070 -8.687) 15.694 3.730 ( 0.000 -13.070 8.687) 15.694 3.730 ( 0.000 13.070 -8.687) 15.694 3.730 ( 0.000 13.070 8.687) 15.694 4.233 ( 0.000 -4.746 -11.710) 12.636 4.233 ( 0.000 4.746 -11.710) 12.636 4.233 ( 0.000 -4.746 11.711) 12.636 4.233 ( 0.000 4.746 11.711) 12.636 4.838 ( 0.000 -10.184 -26.736) 28.609 4.838 ( 0.000 10.184 -26.735) 28.609 4.838 ( 0.000 -10.184 26.736) 28.609 4.838 ( 0.000 10.184 26.736) 28.609 6.120 ( 0.000 -13.364 -9.715) 16.522 6.120 ( 0.000 13.364 -9.715) 16.522 6.120 ( 0.000 -13.363 9.714) 16.521 6.120 ( 0.000 13.364 9.715) 16.522 6.791 ( 0.000 -1.436 -46.329) 46.351 6.791 ( 0.000 1.436 -46.329) 46.351 6.791 ( 0.000 -1.436 46.329) 46.351 6.791 ( 0.000 1.436 46.330) 46.352 7.680 ( 0.000 -1.684 -3.399) 3.793 7.680 ( 0.000 1.684 -3.399) 3.793 7.680 ( 0.000 -1.684 3.399) 3.793 7.680 ( 0.000 1.684 3.399) 3.793 8.894 ( 0.000 -0.151 -28.573) 28.574 8.894 ( 0.000 0.151 -28.573) 28.574 8.894 ( 0.000 -0.151 28.573) 28.574 8.894 ( 0.000 0.151 28.573) 28.574 10.041 ( 0.000 -0.677 -11.073) 11.093 10.041 ( 0.000 0.677 -11.073) 11.093 10.041 ( 0.000 -0.677 11.073) 11.093 10.041 ( 0.000 0.677 11.073) 11.093 12.367 ( 0.000 -0.925 -1.593) 1.842 12.367 ( 0.000 0.925 -1.593) 1.842 12.367 ( 0.000 -0.925 1.593) 1.842 12.367 ( 0.000 0.925 1.593) 1.842 12.886 ( 0.000 -1.347 -9.375) 9.471 12.886 ( 0.000 1.347 -9.375) 9.471 12.886 ( 0.000 -1.347 9.375) 9.471 12.886 ( 0.000 1.347 9.375) 9.471 13.084 ( 0.000 -1.083 -7.323) 7.403 13.084 ( 0.000 1.084 -7.323) 7.403 13.084 ( 0.000 -1.083 7.323) 7.403 13.084 ( 0.000 1.084 7.323) 7.403 13.345 ( 0.000 -2.989 -2.183) 3.701 13.345 ( 0.000 2.989 -2.183) 3.701 13.345 ( 0.000 -2.989 2.183) 3.701 13.345 ( 0.000 2.989 2.183) 3.701 13.598 ( 0.000 -0.874 -2.451) 2.602 13.598 ( 0.000 0.874 -2.451) 2.602 13.598 ( 0.000 -0.874 2.451) 2.602 13.598 ( 0.000 0.874 2.451) 2.602 14.079 ( 0.000 -1.799 -6.207) 6.462 14.079 ( 0.000 1.799 -6.207) 6.462 14.079 ( 0.000 -1.799 6.206) 6.462 14.079 ( 0.000 1.799 6.207) 6.462 14.166 ( 0.000 -1.275 -5.426) 5.573 14.166 ( 0.000 1.275 -5.425) 5.573 14.166 ( 0.000 -1.275 5.425) 5.573 14.166 ( 0.000 1.275 5.426) 5.573 14.646 ( 0.000 -1.784 -5.476) 5.760 14.646 ( 0.000 1.784 -5.476) 5.760 14.646 ( 0.000 -1.784 5.476) 5.760 14.646 ( 0.000 1.784 5.476) 5.760 15.128 ( 0.000 -1.335 -2.960) 3.247 15.128 ( 0.000 1.335 -2.960) 3.247 15.128 ( 0.000 -1.335 2.960) 3.247 15.128 ( 0.000 1.335 2.960) 3.248 15.658 ( 0.000 -7.590 -6.682) 10.112 15.658 ( 0.000 7.590 -6.682) 10.112 15.658 ( 0.000 -7.590 6.682) 10.112 15.658 ( 0.000 7.590 6.682) 10.112 17.358 ( 0.000 -5.333 -17.717) 18.502 17.358 ( 0.000 5.334 -17.717) 18.503 17.358 ( 0.000 -5.333 17.717) 18.503 17.358 ( 0.000 5.334 17.717) 18.503 18.582 ( 0.000 -7.493 -21.993) 23.234 18.582 ( 0.000 7.493 -21.993) 23.234 18.582 ( 0.000 -7.493 21.993) 23.234 18.582 ( 0.000 7.493 21.993) 23.234 ======================= Grid point 268 (86/90) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 0.891 -3.216 -8.425) 9.062 2.811 ( 0.891 3.162 -8.415) 9.034 2.811 ( 0.891 -3.162 8.415) 9.034 2.811 ( 0.891 3.216 8.425) 9.062 3.727 ( 0.424 -13.648 -8.732) 16.207 3.727 ( 0.424 -6.513 -3.510) 7.411 3.727 ( 0.424 6.513 3.510) 7.411 3.727 ( 0.424 13.648 8.732) 16.207 4.298 ( 6.378 -5.521 -13.145) 15.619 4.298 ( 6.378 5.154 -13.078) 15.436 4.298 ( 6.378 -5.154 13.078) 15.436 4.298 ( 6.378 5.521 13.145) 15.619 4.881 ( 4.435 -9.284 -24.840) 26.886 4.881 ( 4.435 9.254 -24.835) 26.871 4.881 ( 4.435 -9.254 24.835) 26.871 4.881 ( 4.435 9.284 24.840) 26.886 6.118 ( -0.324 -12.817 -7.505) 14.856 6.118 ( -0.324 -6.168 0.473) 6.195 6.118 ( -0.324 6.169 -0.474) 6.196 6.118 ( -0.324 12.817 7.505) 14.857 6.934 ( 14.095 -1.802 -47.576) 49.653 6.934 ( 14.095 1.796 -47.576) 49.652 6.934 ( 14.095 -1.796 47.576) 49.652 6.934 ( 14.095 1.803 47.576) 49.653 7.601 ( -7.717 -2.202 -4.813) 9.357 7.601 ( -7.717 2.166 -4.806) 9.345 7.601 ( -7.717 -2.166 4.806) 9.345 7.601 ( -7.717 2.202 4.813) 9.357 8.733 ( -15.663 -0.189 -25.545) 29.965 8.733 ( -15.663 0.189 -25.545) 29.965 8.733 ( -15.663 -0.189 25.545) 29.965 8.733 ( -15.663 0.189 25.545) 29.965 10.029 ( -1.625 -0.661 -6.986) 7.203 10.029 ( -1.625 0.661 -6.986) 7.203 10.029 ( -1.625 -0.661 6.986) 7.203 10.029 ( -1.625 0.661 6.986) 7.203 12.336 ( -2.860 -0.788 -2.055) 3.609 12.336 ( -2.860 0.784 -2.054) 3.607 12.336 ( -2.860 -0.784 2.054) 3.607 12.336 ( -2.860 0.788 2.055) 3.609 12.894 ( 0.386 -0.865 -7.921) 7.977 12.894 ( 0.386 0.854 -7.920) 7.976 12.894 ( 0.386 -0.854 7.920) 7.976 12.894 ( 0.386 0.865 7.921) 7.977 13.081 ( 0.863 -0.788 -7.120) 7.215 13.081 ( 0.863 0.788 -7.120) 7.215 13.081 ( 0.863 -0.788 7.120) 7.215 13.081 ( 0.863 0.788 7.120) 7.215 13.418 ( 5.297 -2.934 -3.166) 6.834 13.418 ( 5.297 2.123 -2.864) 6.385 13.418 ( 5.297 -2.123 2.864) 6.385 13.418 ( 5.297 2.934 3.166) 6.834 13.605 ( 1.436 -0.316 -3.056) 3.391 13.605 ( 1.436 0.308 -3.055) 3.390 13.605 ( 1.436 -0.308 3.055) 3.390 13.605 ( 1.436 0.316 3.056) 3.391 14.081 ( 0.359 -1.956 -5.237) 5.602 14.081 ( 0.359 1.907 -5.229) 5.577 14.081 ( 0.359 -1.907 5.229) 5.577 14.081 ( 0.359 1.956 5.237) 5.602 14.196 ( 2.644 -0.776 -5.109) 5.805 14.196 ( 2.644 0.654 -5.102) 5.783 14.196 ( 2.644 -0.654 5.102) 5.783 14.196 ( 2.644 0.776 5.109) 5.805 14.637 ( -0.581 -1.331 -4.532) 4.759 14.637 ( -0.581 1.309 -4.529) 4.750 14.637 ( -0.581 -1.309 4.529) 4.750 14.637 ( -0.581 1.331 4.532) 4.759 15.135 ( 0.756 -1.185 -3.150) 3.450 15.135 ( 0.756 1.169 -3.147) 3.442 15.135 ( 0.756 -1.169 3.147) 3.442 15.135 ( 0.756 1.185 3.150) 3.450 15.702 ( 4.183 -8.387 -6.129) 11.198 15.702 ( 4.183 4.809 -4.071) 7.563 15.702 ( 4.183 -4.809 4.071) 7.563 15.702 ( 4.183 8.387 6.129) 11.198 17.344 ( -1.384 -4.477 -16.829) 17.470 17.344 ( -1.384 4.447 -16.826) 17.459 17.344 ( -1.384 -4.447 16.826) 17.459 17.344 ( -1.384 4.478 16.830) 17.470 18.521 ( -6.015 -6.605 -20.966) 22.790 18.521 ( -6.015 6.604 -20.966) 22.790 18.521 ( -6.015 -6.604 20.966) 22.790 18.521 ( -6.015 6.605 20.966) 22.790 ======================= Grid point 272 (87/90) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( -0.193 -6.273 -2.457) 6.740 2.820 ( -0.193 -5.121 -0.453) 5.145 2.820 ( -0.193 5.121 0.453) 5.145 2.820 ( -0.193 6.273 2.457) 6.740 3.774 ( 4.717 -15.041 -10.926) 19.180 3.774 ( 4.717 3.938 -5.071) 7.967 3.774 ( 4.717 -3.938 5.071) 7.967 3.774 ( 4.717 15.041 10.926) 19.180 4.474 ( 11.324 -6.791 -11.440) 17.471 4.474 ( 11.324 4.116 -10.859) 16.220 4.474 ( 11.324 -4.116 10.859) 16.220 4.474 ( 11.324 6.791 11.440) 17.471 5.015 ( 9.309 -7.147 -21.798) 24.757 5.015 ( 9.309 7.140 -21.797) 24.754 5.015 ( 9.309 -7.140 21.797) 24.754 5.015 ( 9.309 7.147 21.798) 24.757 6.103 ( -1.224 -11.970 -5.231) 13.120 6.103 ( -1.224 -11.341 4.566) 12.287 6.103 ( -1.224 11.342 -4.566) 12.287 6.103 ( -1.224 11.971 5.231) 13.121 7.260 ( 8.352 -0.379 -32.539) 33.596 7.260 ( 8.352 0.328 -32.539) 33.595 7.260 ( 8.352 -0.328 32.539) 33.595 7.260 ( 8.352 0.379 32.539) 33.596 7.444 ( 1.901 -2.270 -16.476) 16.740 7.444 ( 1.901 2.014 -16.462) 16.693 7.444 ( 1.901 -2.014 16.461) 16.693 7.444 ( 1.901 2.270 16.476) 16.740 8.321 ( -25.159 -0.299 -20.925) 32.725 8.321 ( -25.159 0.299 -20.925) 32.725 8.321 ( -25.159 -0.299 20.925) 32.725 8.321 ( -25.159 0.299 20.925) 32.725 9.955 ( -6.371 -0.516 -1.203) 6.504 9.955 ( -6.371 0.514 -1.202) 6.504 9.955 ( -6.371 -0.514 1.202) 6.504 9.955 ( -6.371 0.516 1.203) 6.504 12.270 ( -3.564 -0.611 -2.388) 4.334 12.270 ( -3.564 0.609 -2.388) 4.333 12.270 ( -3.564 -0.609 2.388) 4.333 12.270 ( -3.564 0.611 2.388) 4.334 12.887 ( -1.029 -0.310 -6.037) 6.132 12.887 ( -1.029 0.306 -6.037) 6.132 12.887 ( -1.029 -0.306 6.037) 6.132 12.887 ( -1.029 0.310 6.037) 6.132 13.137 ( 4.455 -1.214 -5.816) 7.426 13.137 ( 4.455 1.214 -5.816) 7.426 13.137 ( 4.455 -1.214 5.816) 7.426 13.137 ( 4.455 1.214 5.816) 7.426 13.471 ( 0.010 -1.998 -2.012) 2.835 13.471 ( 0.010 1.988 -2.007) 2.825 13.471 ( 0.010 -1.988 2.007) 2.825 13.471 ( 0.010 1.998 2.012) 2.835 13.683 ( 5.618 -1.288 -0.758) 5.813 13.683 ( 5.618 -0.652 -0.164) 5.658 13.683 ( 5.618 0.652 0.164) 5.658 13.683 ( 5.618 1.288 0.758) 5.813 14.099 ( 1.611 -1.734 -4.144) 4.772 14.099 ( 1.611 1.595 -4.119) 4.701 14.099 ( 1.611 -1.595 4.119) 4.701 14.099 ( 1.611 1.735 4.144) 4.773 14.250 ( 2.272 -0.545 -4.575) 5.137 14.250 ( 2.272 0.405 -4.569) 5.118 14.250 ( 2.272 -0.405 4.569) 5.118 14.250 ( 2.272 0.545 4.575) 5.137 14.644 ( 1.742 -1.306 -3.342) 3.989 14.644 ( 1.742 1.219 -3.327) 3.949 14.644 ( 1.742 -1.219 3.327) 3.949 14.644 ( 1.742 1.306 3.342) 3.989 15.169 ( 3.144 -0.914 -5.094) 6.055 15.169 ( 3.144 0.911 -5.093) 6.055 15.169 ( 3.144 -0.911 5.093) 6.055 15.169 ( 3.144 0.914 5.094) 6.055 15.809 ( 6.437 -10.052 -5.199) 13.019 15.809 ( 6.437 -9.946 5.107) 12.901 15.809 ( 6.437 9.946 -5.107) 12.901 15.809 ( 6.437 10.052 5.199) 13.020 17.302 ( -2.995 -1.975 -14.842) 15.269 17.302 ( -2.995 1.798 -14.832) 15.238 17.302 ( -2.995 -1.798 14.832) 15.238 17.302 ( -2.995 1.976 14.842) 15.270 18.358 ( -10.185 -4.007 -17.953) 21.026 18.358 ( -10.185 3.993 -17.951) 21.022 18.358 ( -10.185 -3.993 17.951) 21.022 18.358 ( -10.185 4.007 17.953) 21.026 ======================= Grid point 276 (88/90) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -1.573 -7.169 -4.345) 8.529 2.801 ( -1.573 -3.016 -0.284) 3.413 2.801 ( -1.573 3.016 0.284) 3.413 2.801 ( -1.573 7.169 4.345) 8.529 3.907 ( 8.219 -9.865 -12.602) 17.991 3.907 ( 8.219 7.070 -11.737) 15.978 3.907 ( 8.219 -7.070 11.737) 15.978 3.907 ( 8.219 9.865 12.602) 17.991 4.719 ( 12.747 -11.242 -6.916) 18.349 4.719 ( 12.747 -4.625 -1.077) 13.602 4.719 ( 12.747 4.625 1.077) 13.603 4.719 ( 12.747 11.243 6.916) 18.349 5.257 ( 15.865 -3.282 -20.431) 26.075 5.257 ( 15.865 3.111 -20.419) 26.044 5.257 ( 15.865 -3.110 20.420) 26.045 5.257 ( 15.865 3.282 20.431) 26.075 6.068 ( -2.415 -9.957 -4.854) 11.337 6.068 ( -2.415 -9.041 3.979) 10.169 6.068 ( -2.415 9.042 -3.979) 10.170 6.068 ( -2.415 9.958 4.854) 11.338 7.069 ( -14.383 -3.168 -9.460) 17.504 7.069 ( -14.383 3.116 -9.452) 17.491 7.069 ( -14.383 -3.116 9.452) 17.491 7.069 ( -14.383 3.168 9.460) 17.504 7.675 ( -16.899 -1.216 -19.670) 25.961 7.675 ( -16.899 1.213 -19.670) 25.961 7.675 ( -16.899 -1.213 19.670) 25.961 7.675 ( -16.899 1.216 19.670) 25.961 7.967 ( 15.042 -1.137 -35.914) 38.954 7.967 ( 15.042 1.137 -35.914) 38.954 7.967 ( 15.042 -1.137 35.914) 38.954 7.967 ( 15.042 1.137 35.914) 38.954 9.768 ( -12.823 -0.201 -10.029) 16.280 9.768 ( -12.823 0.201 -10.029) 16.280 9.768 ( -12.823 -0.201 10.029) 16.280 9.768 ( -12.823 0.201 10.029) 16.280 12.207 ( -2.693 -0.586 -2.022) 3.418 12.207 ( -2.693 0.586 -2.022) 3.418 12.207 ( -2.693 -0.586 2.022) 3.418 12.207 ( -2.693 0.586 2.022) 3.418 12.863 ( -1.278 -0.566 -4.975) 5.168 12.863 ( -1.278 0.565 -4.975) 5.167 12.863 ( -1.278 -0.565 4.975) 5.167 12.863 ( -1.278 0.566 4.975) 5.168 13.229 ( 4.380 -1.210 -3.565) 5.776 13.229 ( 4.380 1.210 -3.565) 5.776 13.229 ( 4.380 -1.210 3.565) 5.776 13.229 ( 4.380 1.210 3.565) 5.776 13.453 ( -1.219 -1.247 -1.390) 2.229 13.453 ( -1.219 1.105 -1.335) 2.119 13.453 ( -1.219 -1.105 1.335) 2.119 13.453 ( -1.219 1.247 1.390) 2.229 13.773 ( 3.091 -1.027 -2.426) 4.062 13.773 ( 3.091 1.026 -2.426) 4.061 13.773 ( 3.091 -1.026 2.426) 4.061 13.773 ( 3.091 1.027 2.426) 4.062 14.141 ( 2.447 -0.832 -4.026) 4.784 14.141 ( 2.447 0.731 -4.018) 4.760 14.141 ( 2.447 -0.730 4.018) 4.760 14.141 ( 2.447 0.832 4.027) 4.785 14.275 ( 0.486 -1.110 -3.246) 3.465 14.275 ( 0.486 1.031 -3.235) 3.429 14.275 ( 0.486 -1.031 3.235) 3.429 14.275 ( 0.486 1.110 3.246) 3.465 14.695 ( 2.683 -1.920 -3.305) 4.670 14.695 ( 2.683 1.896 -3.299) 4.655 14.695 ( 2.683 -1.896 3.299) 4.655 14.695 ( 2.683 1.920 3.305) 4.670 15.276 ( 7.837 -1.960 -8.768) 11.923 15.276 ( 7.837 1.845 -8.757) 11.896 15.276 ( 7.837 -1.845 8.757) 11.896 15.276 ( 7.837 1.960 8.768) 11.923 15.942 ( 6.888 -10.846 -4.788) 13.712 15.942 ( 6.888 -9.471 3.242) 12.152 15.942 ( 6.888 9.471 -3.242) 12.152 15.942 ( 6.888 10.846 4.788) 13.712 17.223 ( -5.181 -2.487 -12.978) 14.194 17.223 ( -5.181 1.830 -12.929) 14.049 17.223 ( -5.181 -1.830 12.930) 14.049 17.223 ( -5.181 2.487 12.978) 14.194 18.146 ( -10.619 -0.246 -13.029) 16.810 18.146 ( -10.619 0.109 -13.028) 16.808 18.146 ( -10.619 -0.109 13.028) 16.808 18.146 ( -10.619 0.246 13.029) 16.810 ======================= Grid point 280 (89/90) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -1.362 -6.236 -5.342) 8.323 2.770 ( -1.362 5.396 -4.918) 7.427 2.770 ( -1.362 -5.396 4.918) 7.427 2.770 ( -1.362 6.236 5.342) 8.323 4.061 ( 6.513 -3.131 -9.091) 11.614 4.061 ( 6.513 -0.737 -8.862) 11.023 4.061 ( 6.513 0.737 8.862) 11.023 4.061 ( 6.513 3.131 9.091) 11.614 4.936 ( 8.656 -14.062 -6.200) 17.638 4.936 ( 8.656 -12.248 4.151) 15.562 4.936 ( 8.657 12.248 -4.151) 15.562 4.936 ( 8.657 14.062 6.200) 17.639 5.620 ( 18.285 -4.355 -12.508) 22.578 5.620 ( 18.285 3.217 -12.354) 22.301 5.620 ( 18.285 -3.217 12.354) 22.301 5.620 ( 18.285 4.355 12.508) 22.578 6.035 ( 1.866 -5.292 -6.000) 8.215 6.035 ( 1.865 5.209 -5.967) 8.138 6.035 ( 1.865 -5.209 5.967) 8.138 6.035 ( 1.866 5.292 6.000) 8.215 6.782 ( -16.253 -1.215 -5.787) 17.296 6.782 ( -16.253 1.212 -5.787) 17.295 6.782 ( -16.253 -1.212 5.787) 17.295 6.782 ( -16.253 1.215 5.787) 17.296 7.164 ( -23.685 -1.932 -10.469) 25.967 7.164 ( -23.685 1.852 -10.462) 25.959 7.164 ( -23.685 -1.852 10.462) 25.959 7.164 ( -23.685 1.932 10.469) 25.967 8.480 ( 28.155 -1.197 -34.730) 44.725 8.480 ( 28.155 1.197 -34.730) 44.725 8.480 ( 28.155 -1.197 34.730) 44.725 8.480 ( 28.155 1.197 34.730) 44.725 9.451 ( -19.420 -0.265 -18.795) 27.027 9.451 ( -19.420 0.265 -18.795) 27.027 9.451 ( -19.420 -0.265 18.795) 27.027 9.451 ( -19.420 0.265 18.795) 27.027 12.167 ( -1.356 -0.670 -1.477) 2.114 12.167 ( -1.356 0.670 -1.477) 2.114 12.167 ( -1.356 -0.670 1.477) 2.115 12.167 ( -1.356 0.670 1.477) 2.115 12.842 ( -0.797 -0.572 -4.174) 4.288 12.842 ( -0.797 0.571 -4.174) 4.288 12.842 ( -0.797 -0.571 4.174) 4.288 12.842 ( -0.797 0.572 4.174) 4.288 13.295 ( 2.155 -0.464 -1.639) 2.746 13.295 ( 2.155 0.463 -1.638) 2.746 13.295 ( 2.155 -0.463 1.638) 2.746 13.295 ( 2.155 0.464 1.639) 2.747 13.435 ( -0.553 -1.039 -2.659) 2.908 13.435 ( -0.553 1.035 -2.658) 2.906 13.435 ( -0.553 -1.035 2.658) 2.905 13.435 ( -0.553 1.039 2.659) 2.908 13.809 ( 0.873 -0.400 -2.857) 3.014 13.809 ( 0.873 0.394 -2.857) 3.013 13.809 ( 0.873 -0.394 2.857) 3.013 13.809 ( 0.873 0.400 2.857) 3.014 14.181 ( 1.363 -0.105 -4.386) 4.594 14.181 ( 1.363 0.099 -4.386) 4.593 14.181 ( 1.363 -0.099 4.386) 4.593 14.181 ( 1.363 0.105 4.386) 4.594 14.280 ( 0.222 -1.245 -1.783) 2.186 14.280 ( 0.222 1.244 -1.783) 2.185 14.280 ( 0.222 -1.244 1.783) 2.185 14.280 ( 0.222 1.245 1.783) 2.186 14.732 ( 1.043 -1.299 -2.731) 3.199 14.732 ( 1.043 1.298 -2.731) 3.198 14.732 ( 1.043 -1.297 2.731) 3.198 14.732 ( 1.043 1.299 2.731) 3.199 15.445 ( 7.898 -2.772 -10.707) 13.591 15.445 ( 7.898 2.487 -10.676) 13.511 15.445 ( 7.898 -2.487 10.676) 13.511 15.445 ( 7.898 2.772 10.707) 13.590 16.070 ( 5.670 -7.629 -6.093) 11.291 16.070 ( 5.670 -1.725 -3.546) 6.907 16.070 ( 5.670 1.725 3.546) 6.907 16.070 ( 5.670 7.630 6.093) 11.291 17.106 ( -6.111 -6.397 -10.636) 13.834 17.106 ( -6.111 4.212 -10.140) 12.566 17.106 ( -6.111 -4.212 10.140) 12.566 17.106 ( -6.111 6.397 10.636) 13.834 17.972 ( -6.465 -3.687 -7.175) 10.338 17.972 ( -6.465 2.701 -6.977) 9.888 17.972 ( -6.465 -2.701 6.977) 9.888 17.972 ( -6.465 3.687 7.175) 10.338 ======================= Grid point 284 (90/90) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 0.000 -5.654 -5.064) 7.590 2.755 ( 0.000 5.654 -5.064) 7.590 2.755 ( -0.000 -5.654 5.064) 7.590 2.755 ( 0.000 5.654 5.064) 7.590 4.130 ( -0.000 -5.503 -5.539) 7.807 4.130 ( 0.000 5.503 -5.539) 7.807 4.130 ( 0.000 -5.503 5.539) 7.807 4.130 ( -0.000 5.503 5.539) 7.807 5.029 ( -0.000 -11.504 -4.490) 12.349 5.029 ( 0.000 -11.504 4.490) 12.349 5.029 ( 0.000 11.504 -4.490) 12.349 5.029 ( 0.000 11.504 4.490) 12.349 5.782 ( 0.000 -8.648 -6.036) 10.546 5.782 ( 0.000 8.648 -6.036) 10.547 5.782 ( 0.000 -8.648 6.036) 10.546 5.782 ( -0.000 8.648 6.036) 10.547 6.265 ( -0.000 -0.322 -17.496) 17.499 6.265 ( 0.000 0.322 -17.496) 17.499 6.265 ( 0.000 -0.322 17.496) 17.499 6.265 ( -0.000 0.322 17.496) 17.499 6.413 ( 0.000 -0.710 -10.390) 10.414 6.413 ( 0.000 0.710 -10.390) 10.414 6.413 ( 0.000 -0.710 10.390) 10.414 6.413 ( -0.000 0.710 10.390) 10.414 6.934 ( 0.000 -2.022 -4.921) 5.321 6.934 ( 0.000 2.022 -4.921) 5.321 6.934 ( 0.000 -2.022 4.921) 5.321 6.934 ( 0.000 2.022 4.922) 5.321 8.974 ( 0.000 -0.368 -11.096) 11.102 8.974 ( 0.000 0.368 -11.096) 11.102 8.974 ( -0.000 -0.368 11.096) 11.102 8.974 ( -0.000 0.368 11.096) 11.102 9.047 ( -0.000 -0.049 -13.885) 13.885 9.047 ( -0.000 0.049 -13.885) 13.885 9.047 ( 0.000 -0.049 13.885) 13.885 9.047 ( 0.000 0.049 13.885) 13.885 12.154 ( 0.000 -0.717 -1.244) 1.436 12.154 ( 0.000 0.717 -1.244) 1.436 12.154 ( 0.000 -0.717 1.244) 1.436 12.154 ( 0.000 0.717 1.244) 1.436 12.834 ( 0.000 -0.558 -3.851) 3.891 12.834 ( 0.000 0.558 -3.851) 3.891 12.834 ( 0.000 -0.558 3.851) 3.891 12.834 ( 0.000 0.558 3.851) 3.891 13.315 ( 0.000 -0.088 -0.944) 0.948 13.315 ( 0.000 0.088 -0.944) 0.948 13.315 ( 0.000 -0.088 0.944) 0.948 13.315 ( 0.000 0.088 0.944) 0.948 13.431 ( 0.000 -1.222 -3.069) 3.303 13.431 ( 0.000 1.222 -3.069) 3.303 13.431 ( 0.000 -1.222 3.069) 3.303 13.431 ( 0.000 1.222 3.069) 3.303 13.816 ( 0.000 -0.405 -2.665) 2.695 13.816 ( 0.000 0.405 -2.665) 2.695 13.816 ( 0.000 -0.405 2.665) 2.695 13.816 ( 0.000 0.405 2.665) 2.695 14.194 ( 0.000 -0.074 -4.522) 4.523 14.194 ( 0.000 0.074 -4.522) 4.523 14.194 ( 0.000 -0.074 4.522) 4.523 14.194 ( -0.000 0.074 4.522) 4.523 14.283 ( -0.000 -1.175 -1.120) 1.624 14.283 ( 0.000 1.175 -1.120) 1.624 14.283 ( 0.000 -1.175 1.120) 1.624 14.283 ( -0.000 1.175 1.120) 1.624 14.741 ( 0.000 -0.800 -2.272) 2.408 14.741 ( 0.000 0.800 -2.271) 2.408 14.741 ( 0.000 -0.800 2.272) 2.408 14.741 ( 0.000 0.800 2.272) 2.408 15.531 ( -0.000 -1.695 -10.900) 11.031 15.531 ( 0.000 1.695 -10.900) 11.031 15.531 ( 0.000 -1.695 10.900) 11.031 15.531 ( 0.000 1.695 10.900) 11.031 16.134 ( 0.000 -1.925 -8.204) 8.427 16.134 ( 0.000 1.925 -8.204) 8.427 16.134 ( 0.000 -1.925 8.204) 8.427 16.134 ( -0.000 1.926 8.204) 8.427 17.033 ( -0.000 -8.516 -7.418) 11.293 17.033 ( -0.000 8.516 -7.417) 11.293 17.033 ( 0.000 -8.516 7.418) 11.293 17.033 ( 0.000 8.516 7.418) 11.293 17.908 ( 0.000 -5.277 -4.097) 6.681 17.908 ( 0.000 5.277 -4.097) 6.681 17.908 ( 0.000 -5.277 4.097) 6.681 17.908 ( 0.000 5.277 4.097) 6.681 =================== 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 3/26880 10.0 2222.856 722.645 1373.469 0.000 0.000 0.000 3/26880 20.0 1405.475 693.048 1118.172 0.000 0.000 0.000 3/26880 30.0 567.962 330.200 456.594 0.000 0.000 0.000 3/26880 40.0 300.316 179.783 243.567 0.000 0.000 0.000 3/26880 50.0 199.243 115.025 162.852 0.000 0.000 0.000 3/26880 60.0 150.813 82.172 124.543 0.000 0.000 0.000 3/26880 70.0 123.128 63.136 102.987 0.000 0.000 0.000 3/26880 80.0 105.000 50.925 89.028 0.000 0.000 0.000 3/26880 90.0 91.861 42.469 78.919 0.000 0.000 0.000 3/26880 100.0 81.656 36.269 71.002 0.000 0.000 0.000 3/26880 110.0 73.379 31.531 64.494 0.000 0.000 0.000 3/26880 120.0 66.489 27.796 58.992 0.000 0.000 0.000 3/26880 130.0 60.660 24.783 54.267 0.000 0.000 0.000 3/26880 140.0 55.673 22.309 50.167 0.000 0.000 0.000 3/26880 150.0 51.370 20.248 46.585 0.000 0.000 0.000 3/26880 160.0 47.632 18.509 43.438 0.000 0.000 0.000 3/26880 170.0 44.364 17.028 40.658 0.000 0.000 0.000 3/26880 180.0 41.490 15.754 38.191 0.000 0.000 0.000 3/26880 190.0 38.948 14.650 35.992 0.000 0.000 0.000 3/26880 200.0 36.688 13.684 34.022 0.000 0.000 0.000 3/26880 210.0 34.668 12.835 32.250 0.000 0.000 0.000 3/26880 220.0 32.855 12.083 30.649 0.000 0.000 0.000 3/26880 230.0 31.219 11.414 29.197 0.000 0.000 0.000 3/26880 240.0 29.737 10.814 27.875 0.000 0.000 0.000 3/26880 250.0 28.388 10.274 26.667 0.000 0.000 0.000 3/26880 260.0 27.157 9.786 25.559 0.000 0.000 0.000 3/26880 270.0 26.028 9.342 24.539 0.000 0.000 0.000 3/26880 280.0 24.991 8.937 23.598 0.000 0.000 0.000 3/26880 290.0 24.033 8.567 22.727 0.000 0.000 0.000 3/26880 300.0 23.147 8.226 21.918 0.000 0.000 0.000 3/26880 310.0 22.325 7.912 21.166 0.000 0.000 0.000 3/26880 320.0 21.560 7.622 20.464 0.000 0.000 0.000 3/26880 330.0 20.847 7.353 19.807 0.000 0.000 0.000 3/26880 340.0 20.180 7.102 19.192 0.000 0.000 0.000 3/26880 350.0 19.555 6.869 18.615 0.000 0.000 0.000 3/26880 360.0 18.968 6.650 18.071 0.000 0.000 0.000 3/26880 370.0 18.416 6.446 17.559 0.000 0.000 0.000 3/26880 380.0 17.896 6.254 17.076 0.000 0.000 0.000 3/26880 390.0 17.405 6.074 16.619 0.000 0.000 0.000 3/26880 400.0 16.941 5.904 16.186 0.000 0.000 0.000 3/26880 410.0 16.502 5.743 15.775 0.000 0.000 0.000 3/26880 420.0 16.085 5.591 15.385 0.000 0.000 0.000 3/26880 430.0 15.689 5.448 15.014 0.000 0.000 0.000 3/26880 440.0 15.312 5.311 14.660 0.000 0.000 0.000 3/26880 450.0 14.953 5.182 14.323 0.000 0.000 0.000 3/26880 460.0 14.611 5.059 14.002 0.000 0.000 0.000 3/26880 470.0 14.285 4.941 13.695 0.000 0.000 0.000 3/26880 480.0 13.973 4.830 13.401 0.000 0.000 0.000 3/26880 490.0 13.675 4.723 13.119 0.000 0.000 0.000 3/26880 500.0 13.389 4.621 12.850 0.000 0.000 0.000 3/26880 510.0 13.115 4.523 12.591 0.000 0.000 0.000 3/26880 520.0 12.852 4.430 12.343 0.000 0.000 0.000 3/26880 530.0 12.600 4.340 12.104 0.000 0.000 0.000 3/26880 540.0 12.358 4.254 11.874 0.000 0.000 0.000 3/26880 550.0 12.125 4.172 11.654 0.000 0.000 0.000 3/26880 560.0 11.901 4.093 11.441 0.000 0.000 0.000 3/26880 570.0 11.685 4.016 11.236 0.000 0.000 0.000 3/26880 580.0 11.477 3.943 11.038 0.000 0.000 0.000 3/26880 590.0 11.276 3.872 10.847 0.000 0.000 0.000 3/26880 600.0 11.082 3.804 10.663 0.000 0.000 0.000 3/26880 610.0 10.895 3.738 10.485 0.000 0.000 0.000 3/26880 620.0 10.714 3.675 10.313 0.000 0.000 0.000 3/26880 630.0 10.539 3.613 10.146 0.000 0.000 0.000 3/26880 640.0 10.370 3.554 9.985 0.000 0.000 0.000 3/26880 650.0 10.206 3.497 9.829 0.000 0.000 0.000 3/26880 660.0 10.047 3.441 9.678 0.000 0.000 0.000 3/26880 670.0 9.894 3.388 9.531 0.000 0.000 0.000 3/26880 680.0 9.745 3.336 9.389 0.000 0.000 0.000 3/26880 690.0 9.600 3.285 9.251 0.000 0.000 0.000 3/26880 700.0 9.460 3.236 9.117 0.000 0.000 0.000 3/26880 710.0 9.324 3.189 8.987 0.000 0.000 0.000 3/26880 720.0 9.191 3.143 8.860 0.000 0.000 0.000 3/26880 730.0 9.063 3.098 8.737 0.000 0.000 0.000 3/26880 740.0 8.938 3.055 8.618 0.000 0.000 0.000 3/26880 750.0 8.816 3.013 8.502 0.000 0.000 0.000 3/26880 760.0 8.698 2.972 8.389 0.000 0.000 0.000 3/26880 770.0 8.583 2.932 8.278 0.000 0.000 0.000 3/26880 780.0 8.471 2.893 8.171 0.000 0.000 0.000 3/26880 790.0 8.362 2.855 8.067 0.000 0.000 0.000 3/26880 800.0 8.255 2.818 7.965 0.000 0.000 0.000 3/26880 810.0 8.152 2.782 7.865 0.000 0.000 0.000 3/26880 820.0 8.051 2.747 7.768 0.000 0.000 0.000 3/26880 830.0 7.952 2.713 7.674 0.000 0.000 0.000 3/26880 840.0 7.856 2.680 7.582 0.000 0.000 0.000 3/26880 850.0 7.762 2.648 7.492 0.000 0.000 0.000 3/26880 860.0 7.671 2.616 7.404 0.000 0.000 0.000 3/26880 870.0 7.581 2.585 7.318 0.000 0.000 0.000 3/26880 880.0 7.494 2.555 7.234 0.000 0.000 0.000 3/26880 890.0 7.408 2.526 7.152 0.000 0.000 0.000 3/26880 900.0 7.325 2.497 7.072 0.000 0.000 0.000 3/26880 910.0 7.243 2.469 6.994 0.000 0.000 0.000 3/26880 920.0 7.164 2.441 6.917 0.000 0.000 0.000 3/26880 930.0 7.086 2.414 6.842 0.000 0.000 0.000 3/26880 940.0 7.009 2.388 6.769 0.000 0.000 0.000 3/26880 950.0 6.935 2.362 6.697 0.000 0.000 0.000 3/26880 960.0 6.862 2.337 6.627 0.000 0.000 0.000 3/26880 970.0 6.790 2.313 6.558 0.000 0.000 0.000 3/26880 980.0 6.720 2.289 6.491 0.000 0.000 0.000 3/26880 990.0 6.651 2.265 6.425 0.000 0.000 0.000 3/26880 1000.0 6.584 2.242 6.360 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m1048.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:00:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|