----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:03:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.342193062672155 -2.632589640000000 0.000000000000000 b 6.342193062672155 2.632589640000000 0.000000000000000 c -4.441634430921628 0.000000000000000 15.754773372198581 Atomic positions (fractional): *1 O 0.86422915501828 0.13577084498172 0.25000000000000 15.999 2 O 0.13577084498172 0.86422915501828 0.75000000000000 15.999 *3 O 0.90562397407254 0.79439832776683 0.32633410312634 15.999 4 O 0.20560167223317 0.09437602592746 0.17366589687366 15.999 5 O 0.09437602592746 0.20560167223317 0.67366589687366 15.999 6 O 0.79439832776683 0.90562397407254 0.82633410312634 15.999 *7 O 0.56587340102663 0.38336016006650 0.39617561074550 15.999 8 O 0.61663983993350 0.43412659897337 0.10382438925451 15.999 9 O 0.43412659897337 0.61663983993350 0.60382438925450 15.999 10 O 0.38336016006650 0.56587340102663 0.89617561074550 15.999 *11 O 0.19369517839407 0.95168446105112 0.45176283142631 15.999 12 O 0.04831553894888 0.80630482160593 0.04823716857369 15.999 *13 O 0.17815912176383 0.32383937216002 0.86820153785315 15.999 14 O 0.67616062783998 0.82184087823617 0.63179846214685 15.999 15 O 0.82184087823617 0.67616062783998 0.13179846214685 15.999 16 O 0.32383937216002 0.17815912176383 0.36820153785315 15.999 *17 O 0.66646284198511 0.74709854448554 0.94132521823490 15.999 18 O 0.25290145551446 0.33353715801489 0.55867478176510 15.999 19 O 0.33353715801489 0.25290145551446 0.05867478176510 15.999 20 O 0.74709854448554 0.66646284198511 0.44132521823490 15.999 21 O 0.95168446105112 0.19369517839407 0.95176283142631 15.999 22 O 0.80630482160593 0.04831553894888 0.54823716857369 15.999 *23 Te 0.85045590179562 0.39386252906937 0.20457835815991 127.600 24 Te 0.60613747093063 0.14954409820438 0.29542164184009 127.600 25 Te 0.14954409820438 0.60613747093063 0.79542164184009 127.600 26 Te 0.39386252906937 0.85045590179562 0.70457835815991 127.600 *27 Te 0.41134165010933 0.84462691952446 0.36917838097568 127.600 28 Te 0.15537308047554 0.58865834989067 0.13082161902432 127.600 29 Te 0.58865834989067 0.15537308047554 0.63082161902432 127.600 30 Te 0.84462691952446 0.41134165010933 0.86917838097568 127.600 *31 La 0.37424491528283 0.86295604585876 0.03818406810575 138.905 32 La 0.13704395414124 0.62575508471717 0.46181593189425 138.905 33 La 0.62575508471717 0.13704395414124 0.96181593189425 138.905 34 La 0.86295604585876 0.37424491528283 0.53818406810575 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.684386125344309 0.000000000000000 0.000000000000000 b 0.000000000000000 5.265179279999999 0.000000000000000 c -4.441634430921628 0.000000000000000 15.754773372198581 Atomic positions (fractional): *1 O 0.00000000000000 0.13577084498172 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.86422915501828 0.75000000000000 15.999 > 2 *3 O 0.85001115091969 0.94438717684715 0.32633410312634 15.999 > 3 4 O 0.64998884908031 0.44438717684715 0.17366589687366 15.999 > 4 5 O 0.14998884908031 0.05561282315285 0.67366589687366 15.999 > 5 6 O 0.35001115091969 0.55561282315285 0.82633410312634 15.999 > 6 *7 O 0.97461678054657 0.40874337951993 0.39617561074550 15.999 > 7 8 O 0.02538321945343 0.40874337951993 0.10382438925451 15.999 > 8 9 O 0.02538321945343 0.59125662048007 0.60382438925450 15.999 > 9 10 O 0.97461678054657 0.59125662048007 0.89617561074550 15.999 > 10 *11 O 0.07268981972260 0.87899464132852 0.45176283142631 15.999 > 11 12 O 0.92731018027740 0.87899464132852 0.04823716857369 15.999 > 12 *13 O 0.25099924696193 0.07284012519810 0.86820153785315 15.999 > 13 14 O 0.24900075303807 0.57284012519810 0.63179846214685 15.999 > 14 15 O 0.74900075303807 0.92715987480190 0.13179846214685 15.999 > 15 16 O 0.75099924696193 0.42715987480190 0.36820153785315 15.999 > 16 *17 O 0.20678069323533 0.54031785125022 0.94132521823490 15.999 > 17 18 O 0.79321930676467 0.54031785125022 0.55867478176510 15.999 > 18 19 O 0.79321930676467 0.45968214874979 0.05867478176510 15.999 > 19 20 O 0.20678069323533 0.45968214874979 0.44132521823490 15.999 > 20 21 O 0.07268981972260 0.12100535867148 0.95176283142631 15.999 > 21 22 O 0.92731018027740 0.12100535867148 0.54823716857369 15.999 > 22 23 O 0.50000000000000 0.63577084498172 0.25000000000000 15.999 > 1 24 O 0.50000000000000 0.36422915501828 0.75000000000000 15.999 > 2 25 O 0.35001115091969 0.44438717684715 0.32633410312634 15.999 > 3 26 O 0.14998884908031 0.94438717684715 0.17366589687366 15.999 > 4 27 O 0.64998884908031 0.55561282315285 0.67366589687366 15.999 > 5 28 O 0.85001115091969 0.05561282315285 0.82633410312634 15.999 > 6 29 O 0.47461678054657 0.90874337951993 0.39617561074550 15.999 > 7 30 O 0.52538321945343 0.90874337951993 0.10382438925451 15.999 > 8 31 O 0.52538321945343 0.09125662048007 0.60382438925450 15.999 > 9 32 O 0.47461678054657 0.09125662048007 0.89617561074550 15.999 > 10 33 O 0.57268981972260 0.37899464132852 0.45176283142631 15.999 > 11 34 O 0.42731018027740 0.37899464132852 0.04823716857369 15.999 > 12 35 O 0.75099924696193 0.57284012519810 0.86820153785315 15.999 > 13 36 O 0.74900075303807 0.07284012519810 0.63179846214685 15.999 > 14 37 O 0.24900075303807 0.42715987480190 0.13179846214685 15.999 > 15 38 O 0.25099924696193 0.92715987480190 0.36820153785315 15.999 > 16 39 O 0.70678069323533 0.04031785125022 0.94132521823490 15.999 > 17 40 O 0.29321930676467 0.04031785125022 0.55867478176510 15.999 > 18 41 O 0.29321930676467 0.95968214874978 0.05867478176510 15.999 > 19 42 O 0.70678069323533 0.95968214874978 0.44132521823490 15.999 > 20 43 O 0.57268981972260 0.62100535867148 0.95176283142631 15.999 > 21 44 O 0.42731018027740 0.62100535867148 0.54823716857369 15.999 > 22 *45 Te 0.62215921543250 0.77170331363687 0.20457835815991 127.600 > 23 46 Te 0.87784078456750 0.27170331363687 0.29542164184009 127.600 > 24 47 Te 0.37784078456750 0.22829668636313 0.79542164184009 127.600 > 25 48 Te 0.12215921543250 0.72829668636313 0.70457835815991 127.600 > 26 *49 Te 0.12798428481689 0.71664263470757 0.36917838097568 127.600 > 27 50 Te 0.87201571518311 0.71664263470757 0.13082161902432 127.600 > 28 51 Te 0.87201571518311 0.28335736529243 0.63082161902432 127.600 > 29 52 Te 0.12798428481689 0.28335736529243 0.86917838097568 127.600 > 30 53 Te 0.12215921543250 0.27170331363687 0.20457835815991 127.600 > 23 54 Te 0.37784078456750 0.77170331363687 0.29542164184009 127.600 > 24 55 Te 0.87784078456750 0.72829668636313 0.79542164184009 127.600 > 25 56 Te 0.62215921543250 0.22829668636313 0.70457835815991 127.600 > 26 57 Te 0.62798428481689 0.21664263470757 0.36917838097568 127.600 > 27 58 Te 0.37201571518311 0.21664263470757 0.13082161902432 127.600 > 28 59 Te 0.37201571518311 0.78335736529243 0.63082161902432 127.600 > 29 60 Te 0.62798428481689 0.78335736529243 0.86917838097568 127.600 > 30 *61 La 0.61860048057080 0.24435556528796 0.03818406810575 138.905 > 31 62 La 0.88139951942920 0.74435556528796 0.46181593189425 138.905 > 32 63 La 0.38139951942920 0.75564443471204 0.96181593189425 138.905 > 33 64 La 0.11860048057080 0.25564443471204 0.53818406810575 138.905 > 34 65 La 0.11860048057080 0.74435556528796 0.03818406810575 138.905 > 31 66 La 0.38139951942920 0.24435556528796 0.46181593189425 138.905 > 32 67 La 0.88139951942920 0.25564443471204 0.96181593189425 138.905 > 33 68 La 0.61860048057080 0.75564443471204 0.53818406810575 138.905 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.684386125344309 0.000000000000000 0.000000000000000 b 0.000000000000000 10.530358559999998 0.000000000000000 c -4.441634430921628 0.000000000000000 15.754773372198581 Atomic positions (fractional): *1 O 0.00000000000000 0.06788542249086 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.56788542249086 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.43211457750914 0.75000000000000 15.999 > 2 4 O 0.00000000000000 0.93211457750914 0.75000000000000 15.999 > 2 *5 O 0.85001115091969 0.47219358842357 0.32633410312634 15.999 > 3 6 O 0.85001115091969 0.97219358842357 0.32633410312634 15.999 > 3 7 O 0.64998884908031 0.22219358842357 0.17366589687366 15.999 > 4 8 O 0.64998884908031 0.72219358842357 0.17366589687366 15.999 > 4 9 O 0.14998884908031 0.02780641157643 0.67366589687366 15.999 > 5 10 O 0.14998884908031 0.52780641157643 0.67366589687366 15.999 > 5 11 O 0.35001115091969 0.27780641157643 0.82633410312634 15.999 > 6 12 O 0.35001115091969 0.77780641157643 0.82633410312634 15.999 > 6 *13 O 0.97461678054657 0.20437168975997 0.39617561074550 15.999 > 7 14 O 0.97461678054657 0.70437168975997 0.39617561074550 15.999 > 7 15 O 0.02538321945343 0.20437168975997 0.10382438925451 15.999 > 8 16 O 0.02538321945343 0.70437168975997 0.10382438925451 15.999 > 8 17 O 0.02538321945343 0.29562831024003 0.60382438925450 15.999 > 9 18 O 0.02538321945343 0.79562831024003 0.60382438925450 15.999 > 9 19 O 0.97461678054657 0.29562831024003 0.89617561074550 15.999 > 10 20 O 0.97461678054657 0.79562831024003 0.89617561074550 15.999 > 10 *21 O 0.07268981972260 0.43949732066426 0.45176283142631 15.999 > 11 22 O 0.07268981972260 0.93949732066426 0.45176283142631 15.999 > 11 23 O 0.92731018027740 0.43949732066426 0.04823716857369 15.999 > 12 24 O 0.92731018027740 0.93949732066426 0.04823716857369 15.999 > 12 *25 O 0.25099924696193 0.03642006259905 0.86820153785315 15.999 > 13 26 O 0.25099924696193 0.53642006259905 0.86820153785315 15.999 > 13 27 O 0.24900075303807 0.28642006259905 0.63179846214685 15.999 > 14 28 O 0.24900075303807 0.78642006259905 0.63179846214685 15.999 > 14 29 O 0.74900075303807 0.46357993740095 0.13179846214685 15.999 > 15 30 O 0.74900075303807 0.96357993740095 0.13179846214685 15.999 > 15 31 O 0.75099924696193 0.21357993740095 0.36820153785315 15.999 > 16 32 O 0.75099924696193 0.71357993740095 0.36820153785315 15.999 > 16 *33 O 0.20678069323533 0.27015892562511 0.94132521823490 15.999 > 17 34 O 0.20678069323533 0.77015892562511 0.94132521823490 15.999 > 17 35 O 0.79321930676467 0.27015892562511 0.55867478176510 15.999 > 18 36 O 0.79321930676467 0.77015892562511 0.55867478176510 15.999 > 18 37 O 0.79321930676467 0.22984107437489 0.05867478176510 15.999 > 19 38 O 0.79321930676467 0.72984107437489 0.05867478176510 15.999 > 19 39 O 0.20678069323533 0.22984107437489 0.44132521823490 15.999 > 20 40 O 0.20678069323533 0.72984107437489 0.44132521823490 15.999 > 20 41 O 0.07268981972260 0.06050267933574 0.95176283142631 15.999 > 21 42 O 0.07268981972260 0.56050267933574 0.95176283142631 15.999 > 21 43 O 0.92731018027740 0.06050267933574 0.54823716857369 15.999 > 22 44 O 0.92731018027740 0.56050267933574 0.54823716857369 15.999 > 22 45 O 0.50000000000000 0.31788542249086 0.25000000000000 15.999 > 1 46 O 0.50000000000000 0.81788542249086 0.25000000000000 15.999 > 1 47 O 0.50000000000000 0.18211457750914 0.75000000000000 15.999 > 2 48 O 0.50000000000000 0.68211457750914 0.75000000000000 15.999 > 2 49 O 0.35001115091969 0.22219358842357 0.32633410312634 15.999 > 3 50 O 0.35001115091969 0.72219358842357 0.32633410312634 15.999 > 3 51 O 0.14998884908031 0.47219358842357 0.17366589687366 15.999 > 4 52 O 0.14998884908031 0.97219358842357 0.17366589687366 15.999 > 4 53 O 0.64998884908031 0.27780641157643 0.67366589687366 15.999 > 5 54 O 0.64998884908031 0.77780641157643 0.67366589687366 15.999 > 5 55 O 0.85001115091969 0.02780641157643 0.82633410312634 15.999 > 6 56 O 0.85001115091969 0.52780641157643 0.82633410312634 15.999 > 6 57 O 0.47461678054657 0.45437168975997 0.39617561074550 15.999 > 7 58 O 0.47461678054657 0.95437168975997 0.39617561074550 15.999 > 7 59 O 0.52538321945343 0.45437168975997 0.10382438925451 15.999 > 8 60 O 0.52538321945343 0.95437168975997 0.10382438925451 15.999 > 8 61 O 0.52538321945343 0.04562831024003 0.60382438925450 15.999 > 9 62 O 0.52538321945343 0.54562831024003 0.60382438925450 15.999 > 9 63 O 0.47461678054657 0.04562831024003 0.89617561074550 15.999 > 10 64 O 0.47461678054657 0.54562831024003 0.89617561074550 15.999 > 10 65 O 0.57268981972260 0.18949732066426 0.45176283142631 15.999 > 11 66 O 0.57268981972260 0.68949732066426 0.45176283142631 15.999 > 11 67 O 0.42731018027740 0.18949732066426 0.04823716857369 15.999 > 12 68 O 0.42731018027740 0.68949732066426 0.04823716857369 15.999 > 12 69 O 0.75099924696193 0.28642006259905 0.86820153785315 15.999 > 13 70 O 0.75099924696193 0.78642006259905 0.86820153785315 15.999 > 13 71 O 0.74900075303807 0.03642006259905 0.63179846214685 15.999 > 14 72 O 0.74900075303807 0.53642006259905 0.63179846214685 15.999 > 14 73 O 0.24900075303807 0.21357993740095 0.13179846214685 15.999 > 15 74 O 0.24900075303807 0.71357993740095 0.13179846214685 15.999 > 15 75 O 0.25099924696193 0.46357993740095 0.36820153785315 15.999 > 16 76 O 0.25099924696193 0.96357993740095 0.36820153785315 15.999 > 16 77 O 0.70678069323533 0.02015892562511 0.94132521823490 15.999 > 17 78 O 0.70678069323533 0.52015892562511 0.94132521823490 15.999 > 17 79 O 0.29321930676467 0.02015892562511 0.55867478176510 15.999 > 18 80 O 0.29321930676467 0.52015892562511 0.55867478176510 15.999 > 18 81 O 0.29321930676467 0.47984107437489 0.05867478176510 15.999 > 19 82 O 0.29321930676467 0.97984107437489 0.05867478176510 15.999 > 19 83 O 0.70678069323533 0.47984107437489 0.44132521823490 15.999 > 20 84 O 0.70678069323533 0.97984107437489 0.44132521823490 15.999 > 20 85 O 0.57268981972260 0.31050267933574 0.95176283142631 15.999 > 21 86 O 0.57268981972260 0.81050267933574 0.95176283142631 15.999 > 21 87 O 0.42731018027740 0.31050267933574 0.54823716857369 15.999 > 22 88 O 0.42731018027740 0.81050267933574 0.54823716857369 15.999 > 22 *89 Te 0.62215921543250 0.38585165681844 0.20457835815991 127.600 > 23 90 Te 0.62215921543250 0.88585165681844 0.20457835815991 127.600 > 23 91 Te 0.87784078456750 0.13585165681844 0.29542164184009 127.600 > 24 92 Te 0.87784078456750 0.63585165681844 0.29542164184009 127.600 > 24 93 Te 0.37784078456750 0.11414834318156 0.79542164184009 127.600 > 25 94 Te 0.37784078456750 0.61414834318156 0.79542164184009 127.600 > 25 95 Te 0.12215921543250 0.36414834318156 0.70457835815991 127.600 > 26 96 Te 0.12215921543250 0.86414834318156 0.70457835815991 127.600 > 26 *97 Te 0.12798428481689 0.35832131735378 0.36917838097568 127.600 > 27 98 Te 0.12798428481689 0.85832131735378 0.36917838097568 127.600 > 27 99 Te 0.87201571518311 0.35832131735378 0.13082161902432 127.600 > 28 100 Te 0.87201571518311 0.85832131735378 0.13082161902432 127.600 > 28 101 Te 0.87201571518311 0.14167868264622 0.63082161902432 127.600 > 29 102 Te 0.87201571518311 0.64167868264622 0.63082161902432 127.600 > 29 103 Te 0.12798428481689 0.14167868264622 0.86917838097568 127.600 > 30 104 Te 0.12798428481689 0.64167868264622 0.86917838097568 127.600 > 30 105 Te 0.12215921543250 0.13585165681844 0.20457835815991 127.600 > 23 106 Te 0.12215921543250 0.63585165681844 0.20457835815991 127.600 > 23 107 Te 0.37784078456750 0.38585165681844 0.29542164184009 127.600 > 24 108 Te 0.37784078456750 0.88585165681844 0.29542164184009 127.600 > 24 109 Te 0.87784078456750 0.36414834318156 0.79542164184009 127.600 > 25 110 Te 0.87784078456750 0.86414834318156 0.79542164184009 127.600 > 25 111 Te 0.62215921543250 0.11414834318156 0.70457835815991 127.600 > 26 112 Te 0.62215921543250 0.61414834318156 0.70457835815991 127.600 > 26 113 Te 0.62798428481689 0.10832131735378 0.36917838097568 127.600 > 27 114 Te 0.62798428481689 0.60832131735378 0.36917838097568 127.600 > 27 115 Te 0.37201571518311 0.10832131735378 0.13082161902432 127.600 > 28 116 Te 0.37201571518311 0.60832131735378 0.13082161902432 127.600 > 28 117 Te 0.37201571518311 0.39167868264622 0.63082161902432 127.600 > 29 118 Te 0.37201571518311 0.89167868264622 0.63082161902432 127.600 > 29 119 Te 0.62798428481689 0.39167868264622 0.86917838097568 127.600 > 30 120 Te 0.62798428481689 0.89167868264622 0.86917838097568 127.600 > 30 *121 La 0.61860048057080 0.12217778264398 0.03818406810575 138.905 > 31 122 La 0.61860048057080 0.62217778264398 0.03818406810575 138.905 > 31 123 La 0.88139951942920 0.37217778264398 0.46181593189425 138.905 > 32 124 La 0.88139951942920 0.87217778264398 0.46181593189425 138.905 > 32 125 La 0.38139951942920 0.37782221735602 0.96181593189425 138.905 > 33 126 La 0.38139951942920 0.87782221735602 0.96181593189425 138.905 > 33 127 La 0.11860048057080 0.12782221735602 0.53818406810575 138.905 > 34 128 La 0.11860048057080 0.62782221735602 0.53818406810575 138.905 > 34 129 La 0.11860048057080 0.37217778264398 0.03818406810575 138.905 > 31 130 La 0.11860048057080 0.87217778264398 0.03818406810575 138.905 > 31 131 La 0.38139951942920 0.12217778264398 0.46181593189425 138.905 > 32 132 La 0.38139951942920 0.62217778264398 0.46181593189425 138.905 > 32 133 La 0.88139951942920 0.12782221735602 0.96181593189425 138.905 > 33 134 La 0.88139951942920 0.62782221735602 0.96181593189425 138.905 > 33 135 La 0.61860048057080 0.37782221735602 0.53818406810575 138.905 > 34 136 La 0.61860048057080 0.87782221735602 0.53818406810575 138.905 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2669672 0.0000000 -0.5265565 0.0000000 4.8004314 0.0000000 -0.5265490 0.0000000 4.5745925 -------------------------- Born effective charges -------------------------- 1 O -4.4315167 0.0000000 0.8743832 0.0000000 -1.5827816 0.0000000 1.8063512 0.0000000 -1.6521157 2 O -4.4315167 0.0000000 0.8743832 0.0000000 -1.5827816 0.0000000 1.8063512 0.0000000 -1.6521157 3 O -1.6263209 -0.7606910 0.4430227 -0.3493547 -2.7001024 0.9611810 0.1491763 0.5788042 -2.0082041 4 O -1.6263209 0.7606910 0.4430227 0.3493547 -2.7001024 -0.9611810 0.1491763 -0.5788042 -2.0082041 5 O -1.6263209 -0.7606910 0.4430227 -0.3493547 -2.7001024 0.9611810 0.1491763 0.5788042 -2.0082041 6 O -1.6263209 0.7606910 0.4430227 0.3493547 -2.7001024 -0.9611810 0.1491763 -0.5788042 -2.0082041 7 O -2.2327330 -0.2793884 -0.3491289 -0.3852714 -1.9875198 -0.8490238 -0.4117117 -0.5871343 -2.6431524 8 O -2.2327330 0.2793884 -0.3491289 0.3852714 -1.9875198 0.8490238 -0.4117117 0.5871343 -2.6431524 9 O -2.2327330 -0.2793884 -0.3491289 -0.3852714 -1.9875198 -0.8490238 -0.4117117 -0.5871343 -2.6431524 10 O -2.2327330 0.2793884 -0.3491289 0.3852714 -1.9875198 0.8490238 -0.4117117 0.5871343 -2.6431524 11 O -2.4742268 0.3363971 1.0469912 0.4145681 -2.1422926 -1.0850757 0.5604525 -0.9260031 -2.1992525 12 O -2.4742268 -0.3363971 1.0469912 -0.4145681 -2.1422926 1.0850757 0.5604525 0.9260031 -2.1992525 13 O -3.7044915 0.8301317 0.2795867 1.0332038 -1.9944136 0.3472168 0.6821297 -0.0288233 -1.5890471 14 O -3.7044915 -0.8301317 0.2795867 -1.0332038 -1.9944136 -0.3472168 0.6821297 0.0288233 -1.5890471 15 O -3.7044915 0.8301317 0.2795867 1.0332038 -1.9944136 0.3472168 0.6821297 -0.0288233 -1.5890471 16 O -3.7044915 -0.8301317 0.2795867 -1.0332038 -1.9944136 -0.3472168 0.6821297 0.0288233 -1.5890471 17 O -2.1869027 -0.3711968 -0.0168122 -0.4320088 -2.4374519 -1.3936182 -0.0991856 -0.9427301 -2.0785147 18 O -2.1869027 0.3711968 -0.0168122 0.4320088 -2.4374519 1.3936182 -0.0991856 0.9427301 -2.0785147 19 O -2.1869027 -0.3711968 -0.0168122 -0.4320088 -2.4374519 -1.3936182 -0.0991856 -0.9427301 -2.0785147 20 O -2.1869027 0.3711968 -0.0168122 0.4320088 -2.4374519 1.3936182 -0.0991856 0.9427301 -2.0785147 21 O -2.4742268 -0.3363971 1.0469912 -0.4145681 -2.1422926 1.0850757 0.5604525 0.9260031 -2.1992525 22 O -2.4742268 0.3363971 1.0469912 0.4145681 -2.1422926 -1.0850757 0.5604525 -0.9260031 -2.1992525 23 Te 5.4722880 0.6777516 -0.9698596 0.0270852 3.4056180 -0.7356445 -1.0683145 -0.9651641 3.5845401 24 Te 5.4722880 -0.6777516 -0.9698596 -0.0270852 3.4056180 0.7356445 -1.0683145 0.9651641 3.5845401 25 Te 5.4722880 0.6777516 -0.9698596 0.0270852 3.4056180 -0.7356445 -1.0683145 -0.9651641 3.5845401 26 Te 5.4722880 -0.6777516 -0.9698596 -0.0270852 3.4056180 0.7356445 -1.0683145 0.9651641 3.5845401 27 Te 4.5956106 0.7755187 -0.4166250 0.3639098 3.9330735 -0.6289993 -0.4294389 -0.6703480 2.9416034 28 Te 4.5956106 -0.7755187 -0.4166250 -0.3639098 3.9330735 0.6289993 -0.4294389 0.6703480 2.9416034 29 Te 4.5956106 0.7755187 -0.4166250 0.3639098 3.9330735 -0.6289993 -0.4294389 -0.6703480 2.9416034 30 Te 4.5956106 -0.7755187 -0.4166250 -0.3639098 3.9330735 0.6289993 -0.4294389 0.6703480 2.9416034 31 La 4.3725347 0.0771154 -0.4543666 0.0358600 4.7144795 0.2570230 -0.2862835 -0.0786641 4.8180852 32 La 4.3725347 -0.0771154 -0.4543666 -0.0358600 4.7144795 -0.2570230 -0.2862835 0.0786641 4.8180852 33 La 4.3725347 0.0771154 -0.4543666 0.0358600 4.7144795 0.2570230 -0.2862835 -0.0786641 4.8180852 34 La 4.3725347 -0.0771154 -0.4543666 -0.0358600 4.7144795 -0.2570230 -0.2862835 0.0786641 4.8180852 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 25986/25986 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5357 Number of blocks in projector: 5357 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: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1160 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1160 / 1160 (1) 153 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5357, 5281), data: False |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1152, 1136), data: False |-- (1152, 29), data: (1152, 45) @ (45, 29) |-- (152, 138), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1152, 1136), data: False |-- (1152, 29), data: (1152, 45) @ (45, 29) |-- (152, 138), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1160, 1143), data: False |-- (1160, 20), data: (1160, 37) @ (37, 20) |-- (160, 153), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1040 - Time: 1.666 Solver_block: 200 / 1040 - Time: 1.471 Solver_block: 300 / 1040 - Time: 1.473 Solver_block: 400 / 1040 - Time: 1.486 Solver_block: 500 / 1040 - Time: 1.471 Solver_block: 600 / 1040 - Time: 1.484 Solver_block: 700 / 1040 - Time: 1.474 Solver_block: 800 / 1040 - Time: 1.476 Solver_block: 900 / 1040 - Time: 1.475 Solver_block: 1000 / 1040 - Time: 1.478 Solver_block: 1040 / 1040 - Time: 0.728 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.103 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 408/408 Permutation basis: 25986/25986 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5357 Number of blocks in projector: 5357 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: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1160 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1160 / 1160 (1) 153 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5357, 5281), data: False |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1152, 1136), data: False |-- (1152, 29), data: (1152, 45) @ (45, 29) |-- (152, 138), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1152, 1136), data: False |-- (1152, 29), data: (1152, 45) @ (45, 29) |-- (152, 138), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1160, 1143), data: False |-- (1160, 20), data: (1160, 37) @ (37, 20) |-- (160, 153), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:04:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:05:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.342193062672155 -2.632589640000000 0.000000000000000 b 6.342193062672155 2.632589640000000 0.000000000000000 c -4.441634430921628 0.000000000000000 15.754773372198581 Atomic positions (fractional): 1 O 0.86422915501828 0.13577084498172 0.25000000000000 15.999 2 O 0.13577084498172 0.86422915501828 0.75000000000000 15.999 3 O 0.90562397407254 0.79439832776683 0.32633410312634 15.999 4 O 0.20560167223317 0.09437602592746 0.17366589687366 15.999 5 O 0.09437602592746 0.20560167223317 0.67366589687366 15.999 6 O 0.79439832776683 0.90562397407254 0.82633410312634 15.999 7 O 0.56587340102663 0.38336016006650 0.39617561074550 15.999 8 O 0.61663983993350 0.43412659897337 0.10382438925451 15.999 9 O 0.43412659897337 0.61663983993350 0.60382438925450 15.999 10 O 0.38336016006650 0.56587340102663 0.89617561074550 15.999 11 O 0.19369517839407 0.95168446105112 0.45176283142631 15.999 12 O 0.04831553894888 0.80630482160593 0.04823716857369 15.999 13 O 0.17815912176383 0.32383937216002 0.86820153785315 15.999 14 O 0.67616062783998 0.82184087823617 0.63179846214685 15.999 15 O 0.82184087823617 0.67616062783998 0.13179846214685 15.999 16 O 0.32383937216002 0.17815912176383 0.36820153785315 15.999 17 O 0.66646284198511 0.74709854448554 0.94132521823490 15.999 18 O 0.25290145551446 0.33353715801489 0.55867478176510 15.999 19 O 0.33353715801489 0.25290145551446 0.05867478176510 15.999 20 O 0.74709854448554 0.66646284198511 0.44132521823490 15.999 21 O 0.95168446105112 0.19369517839407 0.95176283142631 15.999 22 O 0.80630482160593 0.04831553894888 0.54823716857369 15.999 23 Te 0.85045590179562 0.39386252906937 0.20457835815991 127.600 24 Te 0.60613747093063 0.14954409820438 0.29542164184009 127.600 25 Te 0.14954409820438 0.60613747093063 0.79542164184009 127.600 26 Te 0.39386252906937 0.85045590179562 0.70457835815991 127.600 27 Te 0.41134165010933 0.84462691952446 0.36917838097568 127.600 28 Te 0.15537308047554 0.58865834989067 0.13082161902432 127.600 29 Te 0.58865834989067 0.15537308047554 0.63082161902432 127.600 30 Te 0.84462691952446 0.41134165010933 0.86917838097568 127.600 31 La 0.37424491528283 0.86295604585876 0.03818406810575 138.905 32 La 0.13704395414124 0.62575508471717 0.46181593189425 138.905 33 La 0.62575508471717 0.13704395414124 0.96181593189425 138.905 34 La 0.86295604585876 0.37424491528283 0.53818406810575 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.684386125344309 0.000000000000000 0.000000000000000 b 0.000000000000000 10.530358559999998 0.000000000000000 c -4.441634430921628 0.000000000000000 15.754773372198581 Atomic positions (fractional): 1 O 0.00000000000000 0.06788542249086 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.56788542249086 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.43211457750914 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.93211457750914 0.75000000000000 15.999 > 3 5 O 0.85001115091969 0.47219358842357 0.32633410312634 15.999 > 5 6 O 0.85001115091969 0.97219358842357 0.32633410312634 15.999 > 5 7 O 0.64998884908031 0.22219358842357 0.17366589687366 15.999 > 7 8 O 0.64998884908031 0.72219358842357 0.17366589687366 15.999 > 7 9 O 0.14998884908031 0.02780641157643 0.67366589687366 15.999 > 9 10 O 0.14998884908031 0.52780641157643 0.67366589687366 15.999 > 9 11 O 0.35001115091969 0.27780641157643 0.82633410312634 15.999 > 11 12 O 0.35001115091969 0.77780641157643 0.82633410312634 15.999 > 11 13 O 0.97461678054657 0.20437168975997 0.39617561074550 15.999 > 13 14 O 0.97461678054657 0.70437168975997 0.39617561074550 15.999 > 13 15 O 0.02538321945343 0.20437168975997 0.10382438925451 15.999 > 15 16 O 0.02538321945343 0.70437168975997 0.10382438925451 15.999 > 15 17 O 0.02538321945343 0.29562831024003 0.60382438925450 15.999 > 17 18 O 0.02538321945343 0.79562831024003 0.60382438925450 15.999 > 17 19 O 0.97461678054657 0.29562831024003 0.89617561074550 15.999 > 19 20 O 0.97461678054657 0.79562831024003 0.89617561074550 15.999 > 19 21 O 0.07268981972260 0.43949732066426 0.45176283142631 15.999 > 21 22 O 0.07268981972260 0.93949732066426 0.45176283142631 15.999 > 21 23 O 0.92731018027740 0.43949732066426 0.04823716857369 15.999 > 23 24 O 0.92731018027740 0.93949732066426 0.04823716857369 15.999 > 23 25 O 0.25099924696193 0.03642006259905 0.86820153785315 15.999 > 25 26 O 0.25099924696193 0.53642006259905 0.86820153785315 15.999 > 25 27 O 0.24900075303807 0.28642006259905 0.63179846214685 15.999 > 27 28 O 0.24900075303807 0.78642006259905 0.63179846214685 15.999 > 27 29 O 0.74900075303807 0.46357993740095 0.13179846214685 15.999 > 29 30 O 0.74900075303807 0.96357993740095 0.13179846214685 15.999 > 29 31 O 0.75099924696193 0.21357993740095 0.36820153785315 15.999 > 31 32 O 0.75099924696193 0.71357993740095 0.36820153785315 15.999 > 31 33 O 0.20678069323533 0.27015892562511 0.94132521823490 15.999 > 33 34 O 0.20678069323533 0.77015892562511 0.94132521823490 15.999 > 33 35 O 0.79321930676467 0.27015892562511 0.55867478176510 15.999 > 35 36 O 0.79321930676467 0.77015892562511 0.55867478176510 15.999 > 35 37 O 0.79321930676467 0.22984107437489 0.05867478176510 15.999 > 37 38 O 0.79321930676467 0.72984107437489 0.05867478176510 15.999 > 37 39 O 0.20678069323533 0.22984107437489 0.44132521823490 15.999 > 39 40 O 0.20678069323533 0.72984107437489 0.44132521823490 15.999 > 39 41 O 0.07268981972260 0.06050267933574 0.95176283142631 15.999 > 41 42 O 0.07268981972260 0.56050267933574 0.95176283142631 15.999 > 41 43 O 0.92731018027740 0.06050267933574 0.54823716857369 15.999 > 43 44 O 0.92731018027740 0.56050267933574 0.54823716857369 15.999 > 43 45 O 0.50000000000000 0.31788542249086 0.25000000000000 15.999 > 1 46 O 0.50000000000000 0.81788542249086 0.25000000000000 15.999 > 1 47 O 0.50000000000000 0.18211457750914 0.75000000000000 15.999 > 3 48 O 0.50000000000000 0.68211457750914 0.75000000000000 15.999 > 3 49 O 0.35001115091969 0.22219358842357 0.32633410312634 15.999 > 5 50 O 0.35001115091969 0.72219358842357 0.32633410312634 15.999 > 5 51 O 0.14998884908031 0.47219358842357 0.17366589687366 15.999 > 7 52 O 0.14998884908031 0.97219358842357 0.17366589687366 15.999 > 7 53 O 0.64998884908031 0.27780641157643 0.67366589687366 15.999 > 9 54 O 0.64998884908031 0.77780641157643 0.67366589687366 15.999 > 9 55 O 0.85001115091969 0.02780641157643 0.82633410312634 15.999 > 11 56 O 0.85001115091969 0.52780641157643 0.82633410312634 15.999 > 11 57 O 0.47461678054657 0.45437168975997 0.39617561074550 15.999 > 13 58 O 0.47461678054657 0.95437168975997 0.39617561074550 15.999 > 13 59 O 0.52538321945343 0.45437168975997 0.10382438925451 15.999 > 15 60 O 0.52538321945343 0.95437168975997 0.10382438925451 15.999 > 15 61 O 0.52538321945343 0.04562831024003 0.60382438925450 15.999 > 17 62 O 0.52538321945343 0.54562831024003 0.60382438925450 15.999 > 17 63 O 0.47461678054657 0.04562831024003 0.89617561074550 15.999 > 19 64 O 0.47461678054657 0.54562831024003 0.89617561074550 15.999 > 19 65 O 0.57268981972260 0.18949732066426 0.45176283142631 15.999 > 21 66 O 0.57268981972260 0.68949732066426 0.45176283142631 15.999 > 21 67 O 0.42731018027740 0.18949732066426 0.04823716857369 15.999 > 23 68 O 0.42731018027740 0.68949732066426 0.04823716857369 15.999 > 23 69 O 0.75099924696193 0.28642006259905 0.86820153785315 15.999 > 25 70 O 0.75099924696193 0.78642006259905 0.86820153785315 15.999 > 25 71 O 0.74900075303807 0.03642006259905 0.63179846214685 15.999 > 27 72 O 0.74900075303807 0.53642006259905 0.63179846214685 15.999 > 27 73 O 0.24900075303807 0.21357993740095 0.13179846214685 15.999 > 29 74 O 0.24900075303807 0.71357993740095 0.13179846214685 15.999 > 29 75 O 0.25099924696193 0.46357993740095 0.36820153785315 15.999 > 31 76 O 0.25099924696193 0.96357993740095 0.36820153785315 15.999 > 31 77 O 0.70678069323533 0.02015892562511 0.94132521823490 15.999 > 33 78 O 0.70678069323533 0.52015892562511 0.94132521823490 15.999 > 33 79 O 0.29321930676467 0.02015892562511 0.55867478176510 15.999 > 35 80 O 0.29321930676467 0.52015892562511 0.55867478176510 15.999 > 35 81 O 0.29321930676467 0.47984107437489 0.05867478176510 15.999 > 37 82 O 0.29321930676467 0.97984107437489 0.05867478176510 15.999 > 37 83 O 0.70678069323533 0.47984107437489 0.44132521823490 15.999 > 39 84 O 0.70678069323533 0.97984107437489 0.44132521823490 15.999 > 39 85 O 0.57268981972260 0.31050267933574 0.95176283142631 15.999 > 41 86 O 0.57268981972260 0.81050267933574 0.95176283142631 15.999 > 41 87 O 0.42731018027740 0.31050267933574 0.54823716857369 15.999 > 43 88 O 0.42731018027740 0.81050267933574 0.54823716857369 15.999 > 43 89 Te 0.62215921543250 0.38585165681844 0.20457835815991 127.600 > 89 90 Te 0.62215921543250 0.88585165681844 0.20457835815991 127.600 > 89 91 Te 0.87784078456750 0.13585165681844 0.29542164184009 127.600 > 91 92 Te 0.87784078456750 0.63585165681844 0.29542164184009 127.600 > 91 93 Te 0.37784078456750 0.11414834318156 0.79542164184009 127.600 > 93 94 Te 0.37784078456750 0.61414834318156 0.79542164184009 127.600 > 93 95 Te 0.12215921543250 0.36414834318156 0.70457835815991 127.600 > 95 96 Te 0.12215921543250 0.86414834318156 0.70457835815991 127.600 > 95 97 Te 0.12798428481689 0.35832131735378 0.36917838097568 127.600 > 97 98 Te 0.12798428481689 0.85832131735378 0.36917838097568 127.600 > 97 99 Te 0.87201571518311 0.35832131735378 0.13082161902432 127.600 > 99 100 Te 0.87201571518311 0.85832131735378 0.13082161902432 127.600 > 99 101 Te 0.87201571518311 0.14167868264622 0.63082161902432 127.600 > 101 102 Te 0.87201571518311 0.64167868264622 0.63082161902432 127.600 > 101 103 Te 0.12798428481689 0.14167868264622 0.86917838097568 127.600 > 103 104 Te 0.12798428481689 0.64167868264622 0.86917838097568 127.600 > 103 105 Te 0.12215921543250 0.13585165681844 0.20457835815991 127.600 > 89 106 Te 0.12215921543250 0.63585165681844 0.20457835815991 127.600 > 89 107 Te 0.37784078456750 0.38585165681844 0.29542164184009 127.600 > 91 108 Te 0.37784078456750 0.88585165681844 0.29542164184009 127.600 > 91 109 Te 0.87784078456750 0.36414834318156 0.79542164184009 127.600 > 93 110 Te 0.87784078456750 0.86414834318156 0.79542164184009 127.600 > 93 111 Te 0.62215921543250 0.11414834318156 0.70457835815991 127.600 > 95 112 Te 0.62215921543250 0.61414834318156 0.70457835815991 127.600 > 95 113 Te 0.62798428481689 0.10832131735378 0.36917838097568 127.600 > 97 114 Te 0.62798428481689 0.60832131735378 0.36917838097568 127.600 > 97 115 Te 0.37201571518311 0.10832131735378 0.13082161902432 127.600 > 99 116 Te 0.37201571518311 0.60832131735378 0.13082161902432 127.600 > 99 117 Te 0.37201571518311 0.39167868264622 0.63082161902432 127.600 > 101 118 Te 0.37201571518311 0.89167868264622 0.63082161902432 127.600 > 101 119 Te 0.62798428481689 0.39167868264622 0.86917838097568 127.600 > 103 120 Te 0.62798428481689 0.89167868264622 0.86917838097568 127.600 > 103 121 La 0.61860048057080 0.12217778264398 0.03818406810575 138.905 > 121 122 La 0.61860048057080 0.62217778264398 0.03818406810575 138.905 > 121 123 La 0.88139951942920 0.37217778264398 0.46181593189425 138.905 > 123 124 La 0.88139951942920 0.87217778264398 0.46181593189425 138.905 > 123 125 La 0.38139951942920 0.37782221735602 0.96181593189425 138.905 > 125 126 La 0.38139951942920 0.87782221735602 0.96181593189425 138.905 > 125 127 La 0.11860048057080 0.12782221735602 0.53818406810575 138.905 > 127 128 La 0.11860048057080 0.62782221735602 0.53818406810575 138.905 > 127 129 La 0.11860048057080 0.37217778264398 0.03818406810575 138.905 > 121 130 La 0.11860048057080 0.87217778264398 0.03818406810575 138.905 > 121 131 La 0.38139951942920 0.12217778264398 0.46181593189425 138.905 > 123 132 La 0.38139951942920 0.62217778264398 0.46181593189425 138.905 > 123 133 La 0.88139951942920 0.12782221735602 0.96181593189425 138.905 > 125 134 La 0.88139951942920 0.62782221735602 0.96181593189425 138.905 > 125 135 La 0.61860048057080 0.37782221735602 0.53818406810575 138.905 > 127 136 La 0.61860048057080 0.87782221735602 0.53818406810575 138.905 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2669672 0.0000000 -0.5265565 0.0000000 4.8004314 0.0000000 -0.5265490 0.0000000 4.5745925 -------------------------- Born effective charges -------------------------- 1 O -4.4315167 0.0000000 0.8743832 0.0000000 -1.5827816 0.0000000 1.8063512 0.0000000 -1.6521157 2 O -4.4315167 0.0000000 0.8743832 0.0000000 -1.5827816 0.0000000 1.8063512 0.0000000 -1.6521157 3 O -1.6263209 -0.7606910 0.4430227 -0.3493547 -2.7001024 0.9611810 0.1491763 0.5788042 -2.0082041 4 O -1.6263209 0.7606910 0.4430227 0.3493547 -2.7001024 -0.9611810 0.1491763 -0.5788042 -2.0082041 5 O -1.6263209 -0.7606910 0.4430227 -0.3493547 -2.7001024 0.9611810 0.1491763 0.5788042 -2.0082041 6 O -1.6263209 0.7606910 0.4430227 0.3493547 -2.7001024 -0.9611810 0.1491763 -0.5788042 -2.0082041 7 O -2.2327330 -0.2793884 -0.3491289 -0.3852714 -1.9875198 -0.8490238 -0.4117117 -0.5871343 -2.6431524 8 O -2.2327330 0.2793884 -0.3491289 0.3852714 -1.9875198 0.8490238 -0.4117117 0.5871343 -2.6431524 9 O -2.2327330 -0.2793884 -0.3491289 -0.3852714 -1.9875198 -0.8490238 -0.4117117 -0.5871343 -2.6431524 10 O -2.2327330 0.2793884 -0.3491289 0.3852714 -1.9875198 0.8490238 -0.4117117 0.5871343 -2.6431524 11 O -2.4742268 0.3363971 1.0469912 0.4145681 -2.1422926 -1.0850757 0.5604525 -0.9260031 -2.1992525 12 O -2.4742268 -0.3363971 1.0469912 -0.4145681 -2.1422926 1.0850757 0.5604525 0.9260031 -2.1992525 13 O -3.7044915 0.8301317 0.2795867 1.0332038 -1.9944136 0.3472168 0.6821297 -0.0288233 -1.5890471 14 O -3.7044915 -0.8301317 0.2795867 -1.0332038 -1.9944136 -0.3472168 0.6821297 0.0288233 -1.5890471 15 O -3.7044915 0.8301317 0.2795867 1.0332038 -1.9944136 0.3472168 0.6821297 -0.0288233 -1.5890471 16 O -3.7044915 -0.8301317 0.2795867 -1.0332038 -1.9944136 -0.3472168 0.6821297 0.0288233 -1.5890471 17 O -2.1869027 -0.3711968 -0.0168122 -0.4320088 -2.4374519 -1.3936182 -0.0991856 -0.9427301 -2.0785147 18 O -2.1869027 0.3711968 -0.0168122 0.4320088 -2.4374519 1.3936182 -0.0991856 0.9427301 -2.0785147 19 O -2.1869027 -0.3711968 -0.0168122 -0.4320088 -2.4374519 -1.3936182 -0.0991856 -0.9427301 -2.0785147 20 O -2.1869027 0.3711968 -0.0168122 0.4320088 -2.4374519 1.3936182 -0.0991856 0.9427301 -2.0785147 21 O -2.4742268 -0.3363971 1.0469912 -0.4145681 -2.1422926 1.0850757 0.5604525 0.9260031 -2.1992525 22 O -2.4742268 0.3363971 1.0469912 0.4145681 -2.1422926 -1.0850757 0.5604525 -0.9260031 -2.1992525 23 Te 5.4722880 0.6777516 -0.9698596 0.0270852 3.4056180 -0.7356445 -1.0683145 -0.9651641 3.5845401 24 Te 5.4722880 -0.6777516 -0.9698596 -0.0270852 3.4056180 0.7356445 -1.0683145 0.9651641 3.5845401 25 Te 5.4722880 0.6777516 -0.9698596 0.0270852 3.4056180 -0.7356445 -1.0683145 -0.9651641 3.5845401 26 Te 5.4722880 -0.6777516 -0.9698596 -0.0270852 3.4056180 0.7356445 -1.0683145 0.9651641 3.5845401 27 Te 4.5956106 0.7755187 -0.4166250 0.3639098 3.9330735 -0.6289993 -0.4294389 -0.6703480 2.9416034 28 Te 4.5956106 -0.7755187 -0.4166250 -0.3639098 3.9330735 0.6289993 -0.4294389 0.6703480 2.9416034 29 Te 4.5956106 0.7755187 -0.4166250 0.3639098 3.9330735 -0.6289993 -0.4294389 -0.6703480 2.9416034 30 Te 4.5956106 -0.7755187 -0.4166250 -0.3639098 3.9330735 0.6289993 -0.4294389 0.6703480 2.9416034 31 La 4.3725347 0.0771154 -0.4543666 0.0358600 4.7144795 0.2570230 -0.2862835 -0.0786641 4.8180852 32 La 4.3725347 -0.0771154 -0.4543666 -0.0358600 4.7144795 -0.2570230 -0.2862835 0.0786641 4.8180852 33 La 4.3725347 0.0771154 -0.4543666 0.0358600 4.7144795 0.2570230 -0.2862835 -0.0786641 4.8180852 34 La 4.3725347 -0.0771154 -0.4543666 -0.0358600 4.7144795 -0.2570230 -0.2862835 0.0786641 4.8180852 ---------------------------------------------------------------------------- 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 5, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 21, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 89, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 97, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 121, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:05:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:05:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.342193062672155 -2.632589640000000 0.000000000000000 b 6.342193062672155 2.632589640000000 0.000000000000000 c -4.441634430921628 0.000000000000000 15.754773372198581 Atomic positions (fractional): 1 O 0.86422915501828 0.13577084498172 0.25000000000000 15.999 2 O 0.13577084498172 0.86422915501828 0.75000000000000 15.999 3 O 0.90562397407254 0.79439832776683 0.32633410312634 15.999 4 O 0.20560167223317 0.09437602592746 0.17366589687366 15.999 5 O 0.09437602592746 0.20560167223317 0.67366589687366 15.999 6 O 0.79439832776683 0.90562397407254 0.82633410312634 15.999 7 O 0.56587340102663 0.38336016006650 0.39617561074550 15.999 8 O 0.61663983993350 0.43412659897337 0.10382438925451 15.999 9 O 0.43412659897337 0.61663983993350 0.60382438925450 15.999 10 O 0.38336016006650 0.56587340102663 0.89617561074550 15.999 11 O 0.19369517839407 0.95168446105112 0.45176283142631 15.999 12 O 0.04831553894888 0.80630482160593 0.04823716857369 15.999 13 O 0.17815912176383 0.32383937216002 0.86820153785315 15.999 14 O 0.67616062783998 0.82184087823617 0.63179846214685 15.999 15 O 0.82184087823617 0.67616062783998 0.13179846214685 15.999 16 O 0.32383937216002 0.17815912176383 0.36820153785315 15.999 17 O 0.66646284198511 0.74709854448554 0.94132521823490 15.999 18 O 0.25290145551446 0.33353715801489 0.55867478176510 15.999 19 O 0.33353715801489 0.25290145551446 0.05867478176510 15.999 20 O 0.74709854448554 0.66646284198511 0.44132521823490 15.999 21 O 0.95168446105112 0.19369517839407 0.95176283142631 15.999 22 O 0.80630482160593 0.04831553894888 0.54823716857369 15.999 23 Te 0.85045590179562 0.39386252906937 0.20457835815991 127.600 24 Te 0.60613747093063 0.14954409820438 0.29542164184009 127.600 25 Te 0.14954409820438 0.60613747093063 0.79542164184009 127.600 26 Te 0.39386252906937 0.85045590179562 0.70457835815991 127.600 27 Te 0.41134165010933 0.84462691952446 0.36917838097568 127.600 28 Te 0.15537308047554 0.58865834989067 0.13082161902432 127.600 29 Te 0.58865834989067 0.15537308047554 0.63082161902432 127.600 30 Te 0.84462691952446 0.41134165010933 0.86917838097568 127.600 31 La 0.37424491528283 0.86295604585876 0.03818406810575 138.905 32 La 0.13704395414124 0.62575508471717 0.46181593189425 138.905 33 La 0.62575508471717 0.13704395414124 0.96181593189425 138.905 34 La 0.86295604585876 0.37424491528283 0.53818406810575 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.684386125344309 0.000000000000000 0.000000000000000 b 0.000000000000000 10.530358559999998 0.000000000000000 c -4.441634430921628 0.000000000000000 15.754773372198581 Atomic positions (fractional): 1 O 0.00000000000000 0.06788542249086 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.56788542249086 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.43211457750914 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.93211457750914 0.75000000000000 15.999 > 3 5 O 0.85001115091969 0.47219358842357 0.32633410312634 15.999 > 5 6 O 0.85001115091969 0.97219358842357 0.32633410312634 15.999 > 5 7 O 0.64998884908031 0.22219358842357 0.17366589687366 15.999 > 7 8 O 0.64998884908031 0.72219358842357 0.17366589687366 15.999 > 7 9 O 0.14998884908031 0.02780641157643 0.67366589687366 15.999 > 9 10 O 0.14998884908031 0.52780641157643 0.67366589687366 15.999 > 9 11 O 0.35001115091969 0.27780641157643 0.82633410312634 15.999 > 11 12 O 0.35001115091969 0.77780641157643 0.82633410312634 15.999 > 11 13 O 0.97461678054657 0.20437168975997 0.39617561074550 15.999 > 13 14 O 0.97461678054657 0.70437168975997 0.39617561074550 15.999 > 13 15 O 0.02538321945343 0.20437168975997 0.10382438925451 15.999 > 15 16 O 0.02538321945343 0.70437168975997 0.10382438925451 15.999 > 15 17 O 0.02538321945343 0.29562831024003 0.60382438925450 15.999 > 17 18 O 0.02538321945343 0.79562831024003 0.60382438925450 15.999 > 17 19 O 0.97461678054657 0.29562831024003 0.89617561074550 15.999 > 19 20 O 0.97461678054657 0.79562831024003 0.89617561074550 15.999 > 19 21 O 0.07268981972260 0.43949732066426 0.45176283142631 15.999 > 21 22 O 0.07268981972260 0.93949732066426 0.45176283142631 15.999 > 21 23 O 0.92731018027740 0.43949732066426 0.04823716857369 15.999 > 23 24 O 0.92731018027740 0.93949732066426 0.04823716857369 15.999 > 23 25 O 0.25099924696193 0.03642006259905 0.86820153785315 15.999 > 25 26 O 0.25099924696193 0.53642006259905 0.86820153785315 15.999 > 25 27 O 0.24900075303807 0.28642006259905 0.63179846214685 15.999 > 27 28 O 0.24900075303807 0.78642006259905 0.63179846214685 15.999 > 27 29 O 0.74900075303807 0.46357993740095 0.13179846214685 15.999 > 29 30 O 0.74900075303807 0.96357993740095 0.13179846214685 15.999 > 29 31 O 0.75099924696193 0.21357993740095 0.36820153785315 15.999 > 31 32 O 0.75099924696193 0.71357993740095 0.36820153785315 15.999 > 31 33 O 0.20678069323533 0.27015892562511 0.94132521823490 15.999 > 33 34 O 0.20678069323533 0.77015892562511 0.94132521823490 15.999 > 33 35 O 0.79321930676467 0.27015892562511 0.55867478176510 15.999 > 35 36 O 0.79321930676467 0.77015892562511 0.55867478176510 15.999 > 35 37 O 0.79321930676467 0.22984107437489 0.05867478176510 15.999 > 37 38 O 0.79321930676467 0.72984107437489 0.05867478176510 15.999 > 37 39 O 0.20678069323533 0.22984107437489 0.44132521823490 15.999 > 39 40 O 0.20678069323533 0.72984107437489 0.44132521823490 15.999 > 39 41 O 0.07268981972260 0.06050267933574 0.95176283142631 15.999 > 41 42 O 0.07268981972260 0.56050267933574 0.95176283142631 15.999 > 41 43 O 0.92731018027740 0.06050267933574 0.54823716857369 15.999 > 43 44 O 0.92731018027740 0.56050267933574 0.54823716857369 15.999 > 43 45 O 0.50000000000000 0.31788542249086 0.25000000000000 15.999 > 1 46 O 0.50000000000000 0.81788542249086 0.25000000000000 15.999 > 1 47 O 0.50000000000000 0.18211457750914 0.75000000000000 15.999 > 3 48 O 0.50000000000000 0.68211457750914 0.75000000000000 15.999 > 3 49 O 0.35001115091969 0.22219358842357 0.32633410312634 15.999 > 5 50 O 0.35001115091969 0.72219358842357 0.32633410312634 15.999 > 5 51 O 0.14998884908031 0.47219358842357 0.17366589687366 15.999 > 7 52 O 0.14998884908031 0.97219358842357 0.17366589687366 15.999 > 7 53 O 0.64998884908031 0.27780641157643 0.67366589687366 15.999 > 9 54 O 0.64998884908031 0.77780641157643 0.67366589687366 15.999 > 9 55 O 0.85001115091969 0.02780641157643 0.82633410312634 15.999 > 11 56 O 0.85001115091969 0.52780641157643 0.82633410312634 15.999 > 11 57 O 0.47461678054657 0.45437168975997 0.39617561074550 15.999 > 13 58 O 0.47461678054657 0.95437168975997 0.39617561074550 15.999 > 13 59 O 0.52538321945343 0.45437168975997 0.10382438925451 15.999 > 15 60 O 0.52538321945343 0.95437168975997 0.10382438925451 15.999 > 15 61 O 0.52538321945343 0.04562831024003 0.60382438925450 15.999 > 17 62 O 0.52538321945343 0.54562831024003 0.60382438925450 15.999 > 17 63 O 0.47461678054657 0.04562831024003 0.89617561074550 15.999 > 19 64 O 0.47461678054657 0.54562831024003 0.89617561074550 15.999 > 19 65 O 0.57268981972260 0.18949732066426 0.45176283142631 15.999 > 21 66 O 0.57268981972260 0.68949732066426 0.45176283142631 15.999 > 21 67 O 0.42731018027740 0.18949732066426 0.04823716857369 15.999 > 23 68 O 0.42731018027740 0.68949732066426 0.04823716857369 15.999 > 23 69 O 0.75099924696193 0.28642006259905 0.86820153785315 15.999 > 25 70 O 0.75099924696193 0.78642006259905 0.86820153785315 15.999 > 25 71 O 0.74900075303807 0.03642006259905 0.63179846214685 15.999 > 27 72 O 0.74900075303807 0.53642006259905 0.63179846214685 15.999 > 27 73 O 0.24900075303807 0.21357993740095 0.13179846214685 15.999 > 29 74 O 0.24900075303807 0.71357993740095 0.13179846214685 15.999 > 29 75 O 0.25099924696193 0.46357993740095 0.36820153785315 15.999 > 31 76 O 0.25099924696193 0.96357993740095 0.36820153785315 15.999 > 31 77 O 0.70678069323533 0.02015892562511 0.94132521823490 15.999 > 33 78 O 0.70678069323533 0.52015892562511 0.94132521823490 15.999 > 33 79 O 0.29321930676467 0.02015892562511 0.55867478176510 15.999 > 35 80 O 0.29321930676467 0.52015892562511 0.55867478176510 15.999 > 35 81 O 0.29321930676467 0.47984107437489 0.05867478176510 15.999 > 37 82 O 0.29321930676467 0.97984107437489 0.05867478176510 15.999 > 37 83 O 0.70678069323533 0.47984107437489 0.44132521823490 15.999 > 39 84 O 0.70678069323533 0.97984107437489 0.44132521823490 15.999 > 39 85 O 0.57268981972260 0.31050267933574 0.95176283142631 15.999 > 41 86 O 0.57268981972260 0.81050267933574 0.95176283142631 15.999 > 41 87 O 0.42731018027740 0.31050267933574 0.54823716857369 15.999 > 43 88 O 0.42731018027740 0.81050267933574 0.54823716857369 15.999 > 43 89 Te 0.62215921543250 0.38585165681844 0.20457835815991 127.600 > 89 90 Te 0.62215921543250 0.88585165681844 0.20457835815991 127.600 > 89 91 Te 0.87784078456750 0.13585165681844 0.29542164184009 127.600 > 91 92 Te 0.87784078456750 0.63585165681844 0.29542164184009 127.600 > 91 93 Te 0.37784078456750 0.11414834318156 0.79542164184009 127.600 > 93 94 Te 0.37784078456750 0.61414834318156 0.79542164184009 127.600 > 93 95 Te 0.12215921543250 0.36414834318156 0.70457835815991 127.600 > 95 96 Te 0.12215921543250 0.86414834318156 0.70457835815991 127.600 > 95 97 Te 0.12798428481689 0.35832131735378 0.36917838097568 127.600 > 97 98 Te 0.12798428481689 0.85832131735378 0.36917838097568 127.600 > 97 99 Te 0.87201571518311 0.35832131735378 0.13082161902432 127.600 > 99 100 Te 0.87201571518311 0.85832131735378 0.13082161902432 127.600 > 99 101 Te 0.87201571518311 0.14167868264622 0.63082161902432 127.600 > 101 102 Te 0.87201571518311 0.64167868264622 0.63082161902432 127.600 > 101 103 Te 0.12798428481689 0.14167868264622 0.86917838097568 127.600 > 103 104 Te 0.12798428481689 0.64167868264622 0.86917838097568 127.600 > 103 105 Te 0.12215921543250 0.13585165681844 0.20457835815991 127.600 > 89 106 Te 0.12215921543250 0.63585165681844 0.20457835815991 127.600 > 89 107 Te 0.37784078456750 0.38585165681844 0.29542164184009 127.600 > 91 108 Te 0.37784078456750 0.88585165681844 0.29542164184009 127.600 > 91 109 Te 0.87784078456750 0.36414834318156 0.79542164184009 127.600 > 93 110 Te 0.87784078456750 0.86414834318156 0.79542164184009 127.600 > 93 111 Te 0.62215921543250 0.11414834318156 0.70457835815991 127.600 > 95 112 Te 0.62215921543250 0.61414834318156 0.70457835815991 127.600 > 95 113 Te 0.62798428481689 0.10832131735378 0.36917838097568 127.600 > 97 114 Te 0.62798428481689 0.60832131735378 0.36917838097568 127.600 > 97 115 Te 0.37201571518311 0.10832131735378 0.13082161902432 127.600 > 99 116 Te 0.37201571518311 0.60832131735378 0.13082161902432 127.600 > 99 117 Te 0.37201571518311 0.39167868264622 0.63082161902432 127.600 > 101 118 Te 0.37201571518311 0.89167868264622 0.63082161902432 127.600 > 101 119 Te 0.62798428481689 0.39167868264622 0.86917838097568 127.600 > 103 120 Te 0.62798428481689 0.89167868264622 0.86917838097568 127.600 > 103 121 La 0.61860048057080 0.12217778264398 0.03818406810575 138.905 > 121 122 La 0.61860048057080 0.62217778264398 0.03818406810575 138.905 > 121 123 La 0.88139951942920 0.37217778264398 0.46181593189425 138.905 > 123 124 La 0.88139951942920 0.87217778264398 0.46181593189425 138.905 > 123 125 La 0.38139951942920 0.37782221735602 0.96181593189425 138.905 > 125 126 La 0.38139951942920 0.87782221735602 0.96181593189425 138.905 > 125 127 La 0.11860048057080 0.12782221735602 0.53818406810575 138.905 > 127 128 La 0.11860048057080 0.62782221735602 0.53818406810575 138.905 > 127 129 La 0.11860048057080 0.37217778264398 0.03818406810575 138.905 > 121 130 La 0.11860048057080 0.87217778264398 0.03818406810575 138.905 > 121 131 La 0.38139951942920 0.12217778264398 0.46181593189425 138.905 > 123 132 La 0.38139951942920 0.62217778264398 0.46181593189425 138.905 > 123 133 La 0.88139951942920 0.12782221735602 0.96181593189425 138.905 > 125 134 La 0.88139951942920 0.62782221735602 0.96181593189425 138.905 > 125 135 La 0.61860048057080 0.37782221735602 0.53818406810575 138.905 > 127 136 La 0.61860048057080 0.87782221735602 0.53818406810575 138.905 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2669672 0.0000000 -0.5265565 0.0000000 4.8004314 0.0000000 -0.5265490 0.0000000 4.5745925 -------------------------- Born effective charges -------------------------- 1 O -4.4315167 0.0000000 0.8743832 0.0000000 -1.5827816 0.0000000 1.8063512 0.0000000 -1.6521157 2 O -4.4315167 0.0000000 0.8743832 0.0000000 -1.5827816 0.0000000 1.8063512 0.0000000 -1.6521157 3 O -1.6263209 -0.7606910 0.4430227 -0.3493547 -2.7001024 0.9611810 0.1491763 0.5788042 -2.0082041 4 O -1.6263209 0.7606910 0.4430227 0.3493547 -2.7001024 -0.9611810 0.1491763 -0.5788042 -2.0082041 5 O -1.6263209 -0.7606910 0.4430227 -0.3493547 -2.7001024 0.9611810 0.1491763 0.5788042 -2.0082041 6 O -1.6263209 0.7606910 0.4430227 0.3493547 -2.7001024 -0.9611810 0.1491763 -0.5788042 -2.0082041 7 O -2.2327330 -0.2793884 -0.3491289 -0.3852714 -1.9875198 -0.8490238 -0.4117117 -0.5871343 -2.6431524 8 O -2.2327330 0.2793884 -0.3491289 0.3852714 -1.9875198 0.8490238 -0.4117117 0.5871343 -2.6431524 9 O -2.2327330 -0.2793884 -0.3491289 -0.3852714 -1.9875198 -0.8490238 -0.4117117 -0.5871343 -2.6431524 10 O -2.2327330 0.2793884 -0.3491289 0.3852714 -1.9875198 0.8490238 -0.4117117 0.5871343 -2.6431524 11 O -2.4742268 0.3363971 1.0469912 0.4145681 -2.1422926 -1.0850757 0.5604525 -0.9260031 -2.1992525 12 O -2.4742268 -0.3363971 1.0469912 -0.4145681 -2.1422926 1.0850757 0.5604525 0.9260031 -2.1992525 13 O -3.7044915 0.8301317 0.2795867 1.0332038 -1.9944136 0.3472168 0.6821297 -0.0288233 -1.5890471 14 O -3.7044915 -0.8301317 0.2795867 -1.0332038 -1.9944136 -0.3472168 0.6821297 0.0288233 -1.5890471 15 O -3.7044915 0.8301317 0.2795867 1.0332038 -1.9944136 0.3472168 0.6821297 -0.0288233 -1.5890471 16 O -3.7044915 -0.8301317 0.2795867 -1.0332038 -1.9944136 -0.3472168 0.6821297 0.0288233 -1.5890471 17 O -2.1869027 -0.3711968 -0.0168122 -0.4320088 -2.4374519 -1.3936182 -0.0991856 -0.9427301 -2.0785147 18 O -2.1869027 0.3711968 -0.0168122 0.4320088 -2.4374519 1.3936182 -0.0991856 0.9427301 -2.0785147 19 O -2.1869027 -0.3711968 -0.0168122 -0.4320088 -2.4374519 -1.3936182 -0.0991856 -0.9427301 -2.0785147 20 O -2.1869027 0.3711968 -0.0168122 0.4320088 -2.4374519 1.3936182 -0.0991856 0.9427301 -2.0785147 21 O -2.4742268 -0.3363971 1.0469912 -0.4145681 -2.1422926 1.0850757 0.5604525 0.9260031 -2.1992525 22 O -2.4742268 0.3363971 1.0469912 0.4145681 -2.1422926 -1.0850757 0.5604525 -0.9260031 -2.1992525 23 Te 5.4722880 0.6777516 -0.9698596 0.0270852 3.4056180 -0.7356445 -1.0683145 -0.9651641 3.5845401 24 Te 5.4722880 -0.6777516 -0.9698596 -0.0270852 3.4056180 0.7356445 -1.0683145 0.9651641 3.5845401 25 Te 5.4722880 0.6777516 -0.9698596 0.0270852 3.4056180 -0.7356445 -1.0683145 -0.9651641 3.5845401 26 Te 5.4722880 -0.6777516 -0.9698596 -0.0270852 3.4056180 0.7356445 -1.0683145 0.9651641 3.5845401 27 Te 4.5956106 0.7755187 -0.4166250 0.3639098 3.9330735 -0.6289993 -0.4294389 -0.6703480 2.9416034 28 Te 4.5956106 -0.7755187 -0.4166250 -0.3639098 3.9330735 0.6289993 -0.4294389 0.6703480 2.9416034 29 Te 4.5956106 0.7755187 -0.4166250 0.3639098 3.9330735 -0.6289993 -0.4294389 -0.6703480 2.9416034 30 Te 4.5956106 -0.7755187 -0.4166250 -0.3639098 3.9330735 0.6289993 -0.4294389 0.6703480 2.9416034 31 La 4.3725347 0.0771154 -0.4543666 0.0358600 4.7144795 0.2570230 -0.2862835 -0.0786641 4.8180852 32 La 4.3725347 -0.0771154 -0.4543666 -0.0358600 4.7144795 -0.2570230 -0.2862835 0.0786641 4.8180852 33 La 4.3725347 0.0771154 -0.4543666 0.0358600 4.7144795 0.2570230 -0.2862835 -0.0786641 4.8180852 34 La 4.3725347 -0.0771154 -0.4543666 -0.0358600 4.7144795 -0.2570230 -0.2862835 0.0786641 4.8180852 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 3 ] 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: 0.51, Number of G-points: 315, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/86) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 86 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 1.020 ( 0.000 0.000 0.000) 0.000 1.134 ( 0.000 0.000 0.000) 0.000 1.538 ( 0.000 0.000 0.000) 0.000 1.665 ( 0.000 0.000 0.000) 0.000 1.869 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.359 ( 0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.180 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.565 ( 0.000 0.000 0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.772 ( 0.000 0.000 0.000) 0.000 4.877 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 5.132 ( 0.000 0.000 0.000) 0.000 5.152 ( 0.000 0.000 0.000) 0.000 5.459 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.626 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.917 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.029 ( 0.000 0.000 0.000) 0.000 6.230 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.581 ( 0.000 0.000 0.000) 0.000 6.656 ( 0.000 0.000 0.000) 0.000 6.942 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 7.691 ( 0.000 0.000 0.000) 0.000 7.795 ( 0.000 0.000 0.000) 0.000 7.900 ( 0.000 0.000 0.000) 0.000 8.059 ( 0.000 0.000 0.000) 0.000 8.332 ( 0.000 0.000 0.000) 0.000 8.338 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.542 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 0.000) 0.000 8.667 ( 0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 9.816 ( 0.000 0.000 0.000) 0.000 9.985 ( 0.000 0.000 0.000) 0.000 10.028 ( 0.000 0.000 0.000) 0.000 10.127 ( 0.000 0.000 0.000) 0.000 10.309 ( 0.000 0.000 0.000) 0.000 10.373 ( 0.000 0.000 0.000) 0.000 10.668 ( 0.000 0.000 0.000) 0.000 10.691 ( 0.000 0.000 0.000) 0.000 10.803 ( 0.000 0.000 0.000) 0.000 11.038 ( 0.000 0.000 0.000) 0.000 11.070 ( 0.000 0.000 0.000) 0.000 11.106 ( 0.000 0.000 0.000) 0.000 11.152 ( 0.000 0.000 0.000) 0.000 11.658 ( 0.000 0.000 0.000) 0.000 11.736 ( 0.000 0.000 0.000) 0.000 12.727 ( 0.000 0.000 0.000) 0.000 12.730 ( 0.000 0.000 0.000) 0.000 16.245 ( 0.000 0.000 0.000) 0.000 16.876 ( 0.000 0.000 0.000) 0.000 17.779 ( 0.000 0.000 0.000) 0.000 17.810 ( 0.000 0.000 0.000) 0.000 17.897 ( 0.000 0.000 0.000) 0.000 18.037 ( 0.000 0.000 0.000) 0.000 19.107 ( 0.000 0.000 0.000) 0.000 19.201 ( 0.000 0.000 0.000) 0.000 19.456 ( 0.000 0.000 0.000) 0.000 19.466 ( 0.000 0.000 0.000) 0.000 19.573 ( 0.000 0.000 0.000) 0.000 19.717 ( 0.000 0.000 0.000) 0.000 19.839 ( 0.000 0.000 0.000) 0.000 20.225 ( 0.000 0.000 0.000) 0.000 21.456 ( 0.000 0.000 0.000) 0.000 21.723 ( 0.000 0.000 0.000) 0.000 21.785 ( 0.000 0.000 0.000) 0.000 22.196 ( 0.000 0.000 0.000) 0.000 22.445 ( 0.000 0.000 0.000) 0.000 22.753 ( 0.000 0.000 0.000) 0.000 22.785 ( 0.000 0.000 0.000) 0.000 22.978 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/86) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 10.447 -14.580 -3.910) 18.358 0.525 ( 2.425 -24.203 9.725) 26.196 0.741 ( 23.775 -26.581 -2.539) 35.752 1.125 ( -2.632 -1.265 3.052) 4.225 1.175 ( 7.286 -8.541 -10.342) 15.264 1.562 ( 3.343 -0.691 9.302) 9.909 1.592 ( 4.660 4.584 -1.527) 6.713 1.805 ( 11.317 5.942 -6.423) 14.305 2.078 ( 1.026 -9.011 -1.990) 9.285 2.299 ( 1.253 -10.493 -0.082) 10.568 2.438 ( 1.747 -2.434 0.275) 3.009 2.506 ( 2.408 5.882 0.333) 6.364 2.579 ( -0.094 -5.009 -0.077) 5.010 2.728 ( -0.211 1.790 -0.637) 1.912 2.975 ( 0.400 1.804 -1.440) 2.343 3.019 ( 8.096 3.047 -5.174) 10.080 3.202 ( -2.231 0.730 2.454) 3.396 3.239 ( -4.382 2.181 1.411) 5.095 3.372 ( 1.977 -3.529 -1.777) 4.419 3.441 ( -2.163 -6.851 0.361) 7.194 3.579 ( -3.144 2.233 -1.713) 4.219 3.666 ( -2.215 1.973 2.357) 3.789 3.746 ( -3.612 0.738 0.057) 3.687 3.773 ( -4.188 -1.428 -2.392) 5.030 3.825 ( -2.275 -5.264 2.907) 6.429 4.164 ( -4.396 0.763 3.362) 5.587 4.187 ( 9.839 6.550 -4.757) 12.741 4.295 ( -1.735 1.453 -0.145) 2.268 4.401 ( -9.006 3.968 0.221) 9.844 4.459 ( 0.533 9.389 -0.390) 9.413 4.612 ( 6.511 2.554 -3.540) 7.839 4.660 ( 4.832 4.960 -0.841) 6.976 4.757 ( 0.548 0.061 1.373) 1.480 4.859 ( -1.878 -0.320 -4.306) 4.709 4.979 ( -0.242 -5.730 -2.817) 6.390 5.051 ( -8.118 -0.934 -1.389) 8.289 5.133 ( -5.278 -0.944 3.302) 6.297 5.393 ( 11.088 12.425 2.516) 16.842 5.446 ( -8.651 -0.349 -0.704) 8.687 5.499 ( -0.698 -3.823 -0.287) 3.896 5.606 ( -4.858 2.003 1.736) 5.534 5.710 ( 0.917 -4.158 -1.345) 4.465 5.820 ( 2.524 -0.019 -1.419) 2.896 5.937 ( -0.743 -0.904 2.416) 2.684 5.994 ( 8.003 0.293 -1.575) 8.162 6.137 ( 6.320 -2.343 -0.332) 6.749 6.201 ( 1.617 2.077 0.245) 2.644 6.506 ( -3.414 -4.503 3.979) 6.911 6.583 ( -0.402 -0.386 -0.446) 0.713 6.944 ( 23.865 12.499 -6.645) 27.748 6.971 ( 21.024 10.638 -6.697) 24.495 7.223 ( -1.298 -0.880 0.916) 1.816 7.636 ( -2.007 4.206 -1.361) 4.855 7.727 ( -3.812 3.757 1.646) 5.599 7.935 ( 3.563 -0.695 0.673) 3.692 8.143 ( -1.178 -4.918 -0.807) 5.121 8.293 ( 6.164 6.266 -5.211) 10.218 8.331 ( -7.935 4.212 9.898) 13.367 8.502 ( 3.247 -2.188 3.668) 5.365 8.579 ( 3.255 1.934 0.838) 3.878 8.639 ( 7.362 3.374 -4.666) 9.347 8.710 ( 13.391 0.058 -6.974) 15.099 9.312 ( 2.285 2.340 -2.245) 3.967 9.883 ( -8.027 7.266 6.384) 12.569 9.976 ( 2.638 2.128 -5.083) 6.110 10.173 ( -2.098 2.641 -2.091) 3.969 10.208 ( -2.857 -5.106 -3.650) 6.896 10.271 ( -1.724 -3.592 1.447) 4.239 10.453 ( -3.134 -4.631 2.658) 6.191 10.654 ( 2.333 2.040 -1.264) 3.347 10.715 ( 4.070 0.262 3.475) 5.358 10.910 ( -5.246 -1.692 -1.976) 5.855 11.032 ( -2.737 1.702 -1.663) 3.627 11.114 ( 2.791 -1.659 0.147) 3.250 11.155 ( 11.399 3.803 0.722) 12.038 11.353 ( 18.386 10.838 0.445) 21.347 11.637 ( 1.278 2.401 -0.330) 2.739 11.748 ( -0.194 -0.902 0.388) 1.001 12.697 ( -0.513 3.004 -0.131) 3.050 12.792 ( -3.731 2.668 -0.166) 4.590 16.293 ( 15.228 5.745 -13.586) 21.200 16.750 ( -2.866 10.143 5.111) 11.714 17.836 ( 2.117 -4.545 -0.807) 5.078 17.952 ( 1.520 -5.506 -0.181) 5.715 18.044 ( -17.209 -8.113 0.575) 19.034 18.695 ( 14.505 -2.710 -6.564) 16.150 19.119 ( -0.662 0.966 1.242) 1.707 19.361 ( -6.171 5.430 -1.288) 8.320 19.413 ( -5.364 3.273 1.417) 6.442 19.556 ( 5.272 1.025 -0.995) 5.462 19.756 ( -0.348 4.525 -0.491) 4.565 19.860 ( 16.081 11.418 1.134) 19.755 19.975 ( 4.832 -13.816 6.751) 16.119 20.678 ( 10.809 -2.176 -12.386) 16.583 21.492 ( 0.932 -1.890 5.324) 5.726 21.699 ( 0.808 2.059 -0.823) 2.360 22.127 ( -0.343 6.352 -0.453) 6.377 22.344 ( -3.809 2.866 3.148) 5.713 22.478 ( 0.519 -3.064 -1.204) 3.332 22.852 ( -1.290 -6.229 -0.408) 6.374 23.004 ( -1.924 -3.101 0.949) 3.771 23.487 ( -26.195 -8.689 -6.156) 28.277 ======================= Grid point 2 (3/86) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 9.403 -15.684 -3.524) 18.624 0.891 ( -0.187 -3.532 10.701) 11.271 1.078 ( 9.206 -9.772 -2.073) 13.585 1.298 ( 0.014 -6.227 -6.567) 9.050 1.474 ( 14.407 -19.890 -3.837) 24.857 1.612 ( 6.423 -5.029 1.134) 8.236 1.777 ( 11.674 -10.259 7.837) 17.405 1.828 ( 12.756 -1.087 -4.218) 13.479 2.198 ( -0.340 -5.185 -4.349) 6.776 2.432 ( 0.790 2.184 3.719) 4.385 2.516 ( 4.700 -4.689 -2.869) 7.233 2.562 ( -0.512 -6.148 6.314) 8.828 2.657 ( 4.212 -1.588 -4.118) 6.101 2.721 ( -0.298 -4.838 3.452) 5.951 2.975 ( 0.792 -3.481 -5.100) 6.225 3.032 ( 4.001 1.432 -3.075) 5.246 3.109 ( -5.688 3.464 3.676) 7.606 3.187 ( -4.132 1.289 2.688) 5.095 3.404 ( -0.353 2.154 -1.407) 2.597 3.496 ( -3.434 1.062 1.334) 3.834 3.515 ( -4.363 -1.250 -0.906) 4.628 3.588 ( 0.483 3.402 -2.488) 4.242 3.684 ( -4.643 1.849 -1.561) 5.236 3.731 ( -5.360 2.031 1.392) 5.899 3.857 ( -3.375 4.321 6.112) 8.211 4.062 ( -2.804 4.838 -3.510) 6.602 4.148 ( -0.605 -0.448 2.609) 2.716 4.255 ( -3.876 8.116 -1.387) 9.100 4.323 ( -0.077 -3.798 -3.379) 5.084 4.340 ( -2.624 -1.512 -0.301) 3.043 4.576 ( -0.074 0.904 2.834) 2.976 4.652 ( 7.558 3.278 -7.536) 11.165 4.759 ( 1.535 -0.578 -1.129) 1.991 4.835 ( -2.213 -0.123 2.635) 3.443 4.961 ( -4.236 1.669 3.156) 5.540 5.014 ( -6.965 1.350 3.027) 7.714 5.171 ( -4.668 -4.734 -2.906) 7.256 5.267 ( 6.090 6.019 -0.516) 8.578 5.387 ( -6.436 0.591 -1.408) 6.614 5.503 ( -6.725 0.417 3.204) 7.461 5.612 ( 3.858 -3.689 0.001) 5.337 5.765 ( 0.344 -0.659 0.097) 0.750 5.842 ( 0.753 -0.972 -0.894) 1.520 5.939 ( -2.218 0.581 1.436) 2.705 6.026 ( 7.187 2.869 1.870) 7.962 6.181 ( 9.442 2.452 -0.067) 9.755 6.255 ( 8.442 -2.002 -2.130) 8.933 6.556 ( 6.761 1.668 3.382) 7.742 6.585 ( 2.348 0.910 -0.618) 2.593 6.765 ( 17.582 17.579 -7.331) 25.921 7.023 ( 1.524 -3.928 -0.933) 4.316 7.225 ( -3.094 -0.616 1.272) 3.401 7.513 ( -2.541 5.934 -2.198) 6.819 7.635 ( -1.651 3.739 0.649) 4.139 7.954 ( 3.307 3.233 -1.633) 4.904 8.113 ( -1.514 2.941 -3.668) 4.939 8.199 ( -5.007 3.609 11.955) 13.454 8.328 ( 1.526 -3.151 -3.943) 5.273 8.524 ( -1.538 1.563 2.766) 3.530 8.575 ( -0.350 4.543 -2.491) 5.193 8.653 ( -2.496 -6.573 6.283) 9.429 8.808 ( 12.943 -1.326 -7.256) 14.897 9.311 ( 5.009 -0.026 -2.643) 5.664 9.676 ( -3.310 9.617 2.899) 10.576 9.953 ( -2.419 0.337 -0.353) 2.468 10.083 ( 0.537 3.860 -0.242) 3.905 10.255 ( -6.270 -3.727 -3.779) 8.215 10.337 ( -2.065 -3.635 1.802) 4.552 10.484 ( -1.618 0.278 1.721) 2.379 10.646 ( 5.209 1.512 -2.243) 5.869 10.741 ( 2.250 0.703 5.067) 5.588 10.898 ( 5.254 2.790 -0.045) 5.949 10.979 ( -2.767 1.199 -2.905) 4.187 11.123 ( 4.630 5.321 0.809) 7.100 11.207 ( 7.393 -1.950 0.448) 7.659 11.311 ( 7.506 3.580 -0.176) 8.318 11.601 ( 1.107 1.635 -1.367) 2.402 11.760 ( -1.308 -0.978 0.689) 1.772 12.605 ( -1.129 5.891 0.164) 6.001 12.684 ( -4.223 5.152 0.015) 6.662 16.270 ( 5.830 3.007 -5.737) 8.715 16.550 ( -3.875 8.258 4.631) 10.230 17.943 ( -2.009 -6.004 -1.016) 6.413 18.078 ( -3.366 -6.161 0.533) 7.041 18.115 ( -2.248 -9.327 0.592) 9.612 18.782 ( 16.124 6.083 -1.892) 17.337 19.091 ( -5.161 0.436 -0.078) 5.180 19.212 ( -8.166 2.787 -0.567) 8.647 19.279 ( -7.464 5.027 0.465) 9.012 19.507 ( -0.250 7.381 0.414) 7.397 19.693 ( 15.670 5.766 -0.025) 16.697 19.780 ( 12.009 7.953 -2.459) 14.612 20.305 ( -5.164 -16.602 7.263) 18.842 20.832 ( 9.177 -7.723 -7.344) 14.064 21.560 ( 0.894 -3.109 3.080) 4.467 21.680 ( 1.864 0.524 -1.179) 2.267 21.973 ( -0.959 8.661 -0.544) 8.731 22.235 ( -3.367 6.067 2.225) 7.286 22.556 ( 1.043 -4.716 -1.079) 4.949 22.951 ( -1.804 -4.922 -0.730) 5.293 23.056 ( -2.784 -3.666 1.850) 4.961 23.417 ( -13.812 -1.871 -2.599) 14.178 ======================= Grid point 3 (4/86) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 7.811 -8.434 0.523) 11.507 1.024 ( 6.600 -7.710 -4.158) 10.968 1.291 ( 8.599 -4.150 -4.734) 10.657 1.434 ( 1.209 -10.995 3.802) 11.697 1.790 ( 7.277 -4.826 1.518) 8.863 1.814 ( 0.049 -11.383 4.682) 12.309 2.045 ( 8.138 -9.376 -4.441) 13.185 2.131 ( 17.070 -12.390 0.196) 21.094 2.252 ( -0.755 5.364 2.040) 5.788 2.351 ( 3.986 -2.353 -2.818) 5.419 2.617 ( -0.166 -0.743 2.941) 3.038 2.660 ( -3.249 -5.377 1.575) 6.476 2.750 ( 8.788 -1.509 -2.216) 9.188 2.823 ( 3.153 -3.700 -1.811) 5.187 2.986 ( -1.045 0.007 -0.348) 1.102 3.068 ( -0.531 0.833 -0.365) 1.053 3.080 ( -4.677 -5.255 -0.407) 7.047 3.123 ( -6.422 0.001 4.263) 7.708 3.303 ( 2.997 5.571 -4.041) 7.506 3.435 ( -4.684 2.577 2.030) 5.718 3.487 ( -3.301 2.701 1.409) 4.491 3.551 ( -3.382 1.680 0.478) 3.807 3.612 ( -0.675 2.196 -3.605) 4.274 3.644 ( -1.162 1.338 0.058) 1.773 3.732 ( -4.074 2.530 5.855) 7.569 3.954 ( -1.416 4.603 -2.201) 5.295 4.065 ( -5.641 3.233 -2.480) 6.958 4.189 ( -3.539 -0.235 1.747) 3.954 4.329 ( -7.451 -2.574 -0.638) 7.909 4.427 ( 6.749 -2.133 -3.425) 7.863 4.546 ( -2.831 3.479 -0.364) 4.500 4.632 ( -1.825 -2.257 0.542) 2.953 4.835 ( 3.198 -1.542 2.423) 4.298 4.852 ( 2.584 -1.876 -1.779) 3.656 4.919 ( -0.022 1.893 2.093) 2.822 4.928 ( -5.405 -0.491 -0.351) 5.439 5.154 ( -9.417 -0.933 -0.599) 9.482 5.265 ( 1.644 -0.524 0.479) 1.791 5.315 ( -3.630 1.757 -0.516) 4.065 5.494 ( -0.699 -1.964 -0.474) 2.138 5.717 ( 2.975 0.614 1.948) 3.609 5.744 ( 1.798 -0.170 -0.284) 1.828 5.865 ( -0.240 -1.665 0.925) 1.920 5.893 ( 0.888 2.545 0.731) 2.793 6.042 ( 8.445 2.505 1.049) 8.871 6.191 ( 6.632 3.592 2.049) 7.816 6.346 ( 7.672 -0.122 -1.800) 7.882 6.540 ( 15.214 12.529 -10.017) 22.108 6.565 ( 0.577 0.636 0.971) 1.296 6.629 ( 3.341 0.819 3.396) 4.833 7.094 ( 1.786 -1.032 1.066) 2.322 7.196 ( -5.645 0.575 0.173) 5.677 7.384 ( -0.366 5.079 -0.198) 5.096 7.570 ( 3.599 3.098 -2.333) 5.291 7.835 ( 1.986 8.680 -1.176) 8.982 8.087 ( -5.872 -0.962 -3.519) 6.913 8.156 ( 2.297 2.031 12.543) 12.912 8.354 ( -5.176 -0.605 -1.946) 5.563 8.443 ( -5.717 2.636 -3.258) 7.089 8.488 ( -2.896 2.208 -0.328) 3.657 8.745 ( -2.604 -3.412 6.041) 7.411 8.946 ( 10.317 -4.539 -6.347) 12.935 9.357 ( 2.704 -0.551 -0.383) 2.786 9.533 ( 1.015 3.406 0.302) 3.567 9.930 ( -3.004 -0.398 2.657) 4.030 10.031 ( 2.817 3.143 -2.430) 4.870 10.248 ( -4.542 -1.438 -1.752) 5.076 10.384 ( -1.859 -2.063 1.353) 3.089 10.445 ( -1.018 2.435 1.160) 2.883 10.636 ( 2.883 2.474 -1.099) 3.954 10.752 ( 0.918 0.471 3.114) 3.281 10.859 ( 9.108 7.986 -0.245) 12.116 10.939 ( -1.142 0.650 -2.324) 2.670 11.048 ( -0.431 3.157 0.049) 3.186 11.300 ( 8.087 -0.556 -0.845) 8.150 11.322 ( 3.311 0.270 2.246) 4.010 11.613 ( 1.343 -2.595 -1.870) 3.469 11.779 ( -1.190 -2.260 0.736) 2.658 12.459 ( -1.961 8.230 0.509) 8.476 12.546 ( -4.443 5.196 -0.244) 6.841 16.247 ( 2.877 1.981 -3.351) 4.840 16.406 ( -3.663 4.706 3.275) 6.804 18.016 ( -5.659 -5.389 -0.377) 7.824 18.180 ( 0.891 -5.134 -0.753) 5.265 18.284 ( 1.106 -7.799 1.113) 7.955 18.718 ( 8.553 9.824 0.079) 13.026 19.008 ( -6.645 1.854 -0.311) 6.906 19.121 ( -7.533 4.561 -2.273) 9.094 19.161 ( -5.333 -1.623 1.334) 5.732 19.380 ( 3.631 6.227 2.098) 7.508 19.715 ( 10.519 4.669 -1.955) 11.674 19.739 ( 15.006 6.433 -0.633) 16.340 20.532 ( -9.014 -12.660 2.686) 15.771 21.044 ( 6.468 -7.802 -2.204) 10.371 21.621 ( 0.187 -2.107 1.176) 2.420 21.700 ( 2.440 -0.709 -0.817) 2.669 21.802 ( -0.628 7.957 -0.268) 7.986 22.079 ( -3.233 7.577 1.173) 8.321 22.666 ( 1.786 -5.823 -0.964) 6.167 22.995 ( -2.246 -1.359 0.778) 2.738 23.103 ( -1.819 -2.943 0.253) 3.469 23.339 ( -8.908 0.034 -0.953) 8.959 ======================= Grid point 4 (5/86) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 5.243 0.507 -8.629) 10.109 1.259 ( 6.433 -13.455 -0.063) 14.914 1.503 ( 5.088 -9.901 3.773) 11.754 1.611 ( 3.748 -4.843 0.913) 6.192 1.873 ( 1.339 -0.196 2.130) 2.523 2.005 ( -2.667 -0.471 7.037) 7.540 2.070 ( 2.795 1.490 0.003) 3.167 2.210 ( 0.579 -2.683 -4.653) 5.402 2.439 ( 8.294 -4.982 -4.222) 10.557 2.513 ( 9.557 -10.495 -1.897) 14.321 2.577 ( -1.060 2.704 2.980) 4.161 2.668 ( -7.609 0.250 -0.086) 7.614 2.827 ( 0.168 -2.776 1.542) 3.180 2.883 ( 0.065 0.442 -3.269) 3.299 2.995 ( 2.858 2.185 -1.200) 3.792 3.027 ( -1.401 0.233 3.865) 4.118 3.067 ( 1.898 1.754 -1.316) 2.900 3.151 ( -2.250 -1.358 2.789) 3.832 3.283 ( -3.287 3.971 3.135) 6.033 3.325 ( 1.844 -2.174 -3.195) 4.281 3.417 ( -3.517 1.780 1.826) 4.344 3.472 ( 2.727 2.057 -1.854) 3.887 3.617 ( -0.840 -1.144 -1.651) 2.177 3.675 ( 1.614 -2.928 -2.262) 4.037 3.732 ( -2.186 -2.206 3.074) 4.370 3.863 ( -0.275 3.354 0.905) 3.485 3.992 ( -6.134 -0.077 -3.017) 6.836 4.153 ( -2.779 0.805 0.552) 2.945 4.298 ( -9.393 -0.840 1.172) 9.503 4.449 ( -0.790 2.178 2.056) 3.098 4.476 ( 5.616 2.452 -2.489) 6.614 4.681 ( -2.909 -4.249 0.127) 5.151 4.805 ( -4.277 2.097 3.764) 6.071 4.853 ( -0.413 2.595 -3.160) 4.110 4.899 ( 8.758 1.174 -1.029) 8.896 5.060 ( -4.096 -8.697 -1.655) 9.755 5.081 ( -6.973 -0.589 1.348) 7.127 5.258 ( -0.222 -0.117 0.114) 0.275 5.315 ( -0.017 -0.916 -0.031) 0.916 5.520 ( -0.135 -0.201 -0.208) 0.319 5.624 ( -1.147 4.611 0.895) 4.835 5.815 ( 5.428 0.032 1.375) 5.600 5.856 ( 0.337 0.870 1.468) 1.740 5.956 ( 4.423 -4.470 -0.054) 6.288 6.044 ( 5.534 3.479 -1.898) 6.807 6.173 ( 2.275 1.997 3.877) 4.919 6.316 ( 5.519 6.734 -5.345) 10.216 6.469 ( 2.738 1.626 -0.852) 3.296 6.572 ( 1.932 -0.632 -0.933) 2.237 6.677 ( 4.424 -0.790 1.435) 4.717 7.072 ( -1.183 3.179 -0.899) 3.509 7.107 ( -6.573 2.572 1.442) 7.204 7.356 ( 3.938 -0.032 2.812) 4.838 7.593 ( 9.195 -0.989 -6.074) 11.065 7.704 ( 2.720 5.854 -1.378) 6.600 7.989 ( -10.623 5.727 7.716) 14.324 8.157 ( -0.788 0.095 -1.770) 1.940 8.294 ( -5.676 -0.139 2.697) 6.285 8.388 ( 0.236 0.575 -3.453) 3.509 8.438 ( -4.516 0.005 -0.865) 4.598 8.780 ( -1.144 -1.059 3.093) 3.464 9.071 ( 5.068 -2.561 -3.425) 6.632 9.363 ( 0.430 -0.187 1.119) 1.213 9.555 ( 2.413 -2.010 -1.096) 3.327 9.937 ( -1.334 -1.295 4.262) 4.650 9.999 ( 3.709 2.080 -4.079) 5.892 10.239 ( -3.889 -1.101 0.203) 4.047 10.334 ( 2.022 5.765 -1.441) 6.277 10.447 ( -4.455 -3.963 1.918) 6.264 10.609 ( -2.055 1.047 1.123) 2.565 10.741 ( 3.128 3.471 3.119) 5.618 10.760 ( 7.218 6.955 -3.112) 10.496 10.926 ( 0.395 0.003 -1.441) 1.494 11.005 ( -1.981 0.602 0.046) 2.071 11.326 ( 4.687 1.526 0.440) 4.949 11.375 ( 1.429 -1.916 0.228) 2.402 11.690 ( 1.253 -3.629 -0.753) 3.913 11.846 ( 1.199 -4.891 0.230) 5.041 12.273 ( -3.449 8.669 0.450) 9.341 12.431 ( -2.572 3.583 -0.211) 4.416 16.226 ( 1.291 1.225 -1.958) 2.645 16.326 ( -2.293 1.954 1.998) 3.615 18.066 ( -3.304 -3.514 0.025) 4.823 18.257 ( 0.479 -2.468 -1.940) 3.175 18.413 ( -0.102 -4.438 2.273) 4.987 18.598 ( 4.258 6.827 0.438) 8.058 18.940 ( -2.705 1.393 -1.426) 3.360 18.993 ( -6.018 1.984 -1.566) 6.527 19.175 ( -2.444 -2.422 1.313) 3.683 19.332 ( 3.077 2.797 2.359) 4.780 19.690 ( 6.263 3.224 -3.174) 7.727 19.741 ( 9.523 4.480 1.121) 10.583 20.673 ( -5.835 -7.972 0.681) 9.903 21.183 ( 1.329 -3.539 -0.271) 3.790 21.648 ( 0.202 -0.441 0.476) 0.679 21.684 ( 0.774 3.811 -0.597) 3.934 21.730 ( 1.503 -0.770 -0.620) 1.799 21.924 ( -2.282 6.079 0.975) 6.566 22.791 ( 2.331 -5.559 -1.161) 6.138 22.974 ( -2.510 1.686 1.676) 3.457 23.138 ( -0.367 -1.674 -0.760) 1.874 23.278 ( -4.943 0.352 -0.045) 4.955 ======================= Grid point 5 (6/86) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.000 -0.000 0.000) 0.000 1.447 ( 0.000 -0.000 0.000) 0.000 1.669 ( 0.000 0.000 0.000) 0.000 1.677 ( -0.000 -0.000 -0.000) 0.000 1.867 ( -0.000 -0.000 0.000) 0.000 1.885 ( 0.000 -0.000 -0.000) 0.000 2.140 ( 0.000 -0.000 0.000) 0.000 2.224 ( 0.000 -0.000 0.000) 0.000 2.514 ( -0.000 -0.000 0.000) 0.000 2.541 ( -0.000 0.000 0.000) 0.000 2.648 ( -0.000 -0.000 0.000) 0.000 2.691 ( 0.000 0.000 -0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 -0.000 -0.000) 0.000 2.903 ( -0.000 0.000 0.000) 0.000 2.993 ( 0.000 -0.000 -0.000) 0.000 3.110 ( -0.000 -0.000 0.000) 0.000 3.120 ( 0.000 -0.000 -0.000) 0.000 3.229 ( 0.000 -0.000 0.000) 0.000 3.379 ( 0.000 -0.000 0.000) 0.000 3.397 ( 0.000 -0.000 0.000) 0.000 3.525 ( 0.000 -0.000 0.000) 0.000 3.587 ( -0.000 0.000 0.000) 0.000 3.676 ( 0.000 -0.000 -0.000) 0.000 3.806 ( 0.000 -0.000 -0.000) 0.000 3.818 ( -0.000 0.000 0.000) 0.000 3.952 ( 0.000 -0.000 -0.000) 0.000 4.133 ( -0.000 -0.000 0.000) 0.000 4.259 ( 0.000 -0.000 -0.000) 0.000 4.437 ( 0.000 -0.000 -0.000) 0.000 4.469 ( -0.000 -0.000 0.000) 0.000 4.719 ( 0.000 -0.000 0.000) 0.000 4.786 ( 0.000 0.000 -0.000) 0.000 4.788 ( 0.000 -0.000 0.000) 0.000 4.959 ( -0.000 0.000 0.000) 0.000 4.981 ( 0.000 -0.000 -0.000) 0.000 5.222 ( 0.000 0.000 0.000) 0.000 5.232 ( 0.000 -0.000 0.000) 0.000 5.314 ( 0.000 -0.000 -0.000) 0.000 5.506 ( 0.000 -0.000 0.000) 0.000 5.579 ( 0.000 -0.000 0.000) 0.000 5.824 ( 0.000 -0.000 -0.000) 0.000 5.891 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 -0.000 0.000) 0.000 6.096 ( 0.000 -0.000 -0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.247 ( 0.000 -0.000 -0.000) 0.000 6.463 ( 0.000 -0.000 0.000) 0.000 6.593 ( 0.000 -0.000 0.000) 0.000 6.709 ( 0.000 -0.000 0.000) 0.000 7.014 ( 0.000 -0.000 -0.000) 0.000 7.056 ( -0.000 -0.000 0.000) 0.000 7.397 ( 0.000 -0.000 -0.000) 0.000 7.606 ( 0.000 -0.000 0.000) 0.000 7.764 ( 0.000 -0.000 -0.000) 0.000 7.795 ( -0.000 0.000 0.000) 0.000 8.152 ( 0.000 -0.000 0.000) 0.000 8.276 ( 0.000 -0.000 0.000) 0.000 8.398 ( -0.000 -0.000 -0.000) 0.000 8.406 ( 0.000 -0.000 0.000) 0.000 8.788 ( 0.000 -0.000 0.000) 0.000 9.107 ( 0.000 -0.000 0.000) 0.000 9.377 ( 0.000 -0.000 0.000) 0.000 9.586 ( 0.000 -0.000 0.000) 0.000 9.964 ( 0.000 -0.000 0.000) 0.000 9.984 ( 0.000 0.000 -0.000) 0.000 10.227 ( 0.000 0.000 -0.000) 0.000 10.278 ( -0.000 -0.000 0.000) 0.000 10.488 ( 0.000 -0.000 0.000) 0.000 10.571 ( 0.000 -0.000 0.000) 0.000 10.710 ( 0.000 -0.000 -0.000) 0.000 10.728 ( 0.000 -0.000 0.000) 0.000 10.929 ( 0.000 -0.000 0.000) 0.000 10.991 ( 0.000 -0.000 0.000) 0.000 11.330 ( 0.000 -0.000 0.000) 0.000 11.400 ( 0.000 -0.000 0.000) 0.000 11.733 ( 0.000 -0.000 0.000) 0.000 11.936 ( 0.000 -0.000 -0.000) 0.000 12.140 ( 0.000 -0.000 -0.000) 0.000 12.383 ( 0.000 -0.000 0.000) 0.000 16.217 ( 0.000 -0.000 0.000) 0.000 16.302 ( 0.000 -0.000 -0.000) 0.000 18.089 ( 0.000 -0.000 -0.000) 0.000 18.278 ( 0.000 -0.000 0.000) 0.000 18.454 ( 0.000 -0.000 0.000) 0.000 18.552 ( 0.000 -0.000 0.000) 0.000 18.910 ( 0.000 -0.000 0.000) 0.000 18.952 ( 0.000 -0.000 0.000) 0.000 19.197 ( 0.000 -0.000 0.000) 0.000 19.319 ( 0.000 -0.000 -0.000) 0.000 19.682 ( 0.000 -0.000 -0.000) 0.000 19.732 ( -0.000 -0.000 0.000) 0.000 20.731 ( 0.000 -0.000 0.000) 0.000 21.215 ( 0.000 -0.000 -0.000) 0.000 21.651 ( 0.000 0.000 -0.000) 0.000 21.654 ( 0.000 -0.000 0.000) 0.000 21.750 ( 0.000 -0.000 0.000) 0.000 21.848 ( -0.000 0.000 0.000) 0.000 22.889 ( 0.000 -0.000 -0.000) 0.000 22.915 ( -0.000 0.000 0.000) 0.000 23.153 ( 0.000 -0.000 -0.000) 0.000 23.254 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/86) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( 18.752 0.000 2.229) 18.884 0.404 ( 23.357 0.000 7.332) 24.481 0.734 ( 45.258 0.000 1.134) 45.272 1.096 ( 8.156 0.000 -2.876) 8.649 1.141 ( 4.450 0.000 -11.066) 11.927 1.596 ( 5.222 0.000 14.567) 15.475 1.749 ( 8.730 0.000 -1.184) 8.810 1.994 ( 4.623 0.000 -9.420) 10.494 1.996 ( 10.096 0.000 -0.041) 10.096 2.202 ( 5.315 0.000 -2.483) 5.866 2.456 ( 5.442 0.000 2.581) 6.023 2.518 ( -1.396 -0.000 -2.234) 2.635 2.623 ( 1.420 0.000 -0.394) 1.474 2.700 ( -5.600 -0.000 -0.863) 5.666 3.006 ( -3.708 -0.000 -2.773) 4.630 3.101 ( -9.829 -0.000 3.917) 10.580 3.189 ( 6.028 0.000 -8.583) 10.488 3.239 ( 0.835 0.000 -0.343) 0.902 3.300 ( -4.172 -0.000 5.473) 6.882 3.453 ( 6.701 0.000 -6.272) 9.178 3.487 ( 1.627 0.000 0.090) 1.630 3.569 ( -5.006 -0.000 0.482) 5.030 3.732 ( -3.998 -0.000 1.253) 4.190 3.776 ( 2.036 0.000 -0.377) 2.071 3.789 ( 1.254 0.000 -1.383) 1.867 4.146 ( -6.006 -0.000 1.710) 6.245 4.254 ( -5.663 -0.000 -0.401) 5.677 4.290 ( -5.463 -0.000 0.547) 5.491 4.465 ( -9.169 -0.000 3.030) 9.657 4.574 ( -1.117 -0.000 0.119) 1.123 4.655 ( 3.493 0.000 0.408) 3.517 4.679 ( -3.898 -0.000 3.810) 5.451 4.798 ( 1.090 0.000 -13.235) 13.279 4.836 ( 6.723 0.000 -5.777) 8.864 4.937 ( -0.631 -0.000 -9.387) 9.408 4.946 ( -2.081 -0.000 2.699) 3.408 5.077 ( -8.678 -0.000 3.026) 9.191 5.382 ( -5.995 -0.000 -2.586) 6.529 5.429 ( -4.721 -0.000 -0.362) 4.735 5.568 ( -8.376 -0.000 3.220) 8.974 5.578 ( -7.867 -0.000 6.587) 10.261 5.661 ( 3.555 0.000 -5.640) 6.667 5.847 ( 4.085 0.000 -3.636) 5.469 5.928 ( 0.592 0.000 0.410) 0.720 6.056 ( 5.898 0.000 1.202) 6.019 6.188 ( 13.903 0.000 -0.034) 13.903 6.303 ( 9.563 0.000 -0.737) 9.592 6.399 ( 8.365 0.000 -4.249) 9.382 6.598 ( 3.464 0.000 3.262) 4.758 6.931 ( -0.563 -0.000 -2.420) 2.484 7.205 ( -1.789 -0.000 2.154) 2.800 7.572 ( 0.722 0.000 -12.294) 12.315 7.645 ( -4.703 -0.000 -2.533) 5.342 7.727 ( -6.434 -0.000 3.725) 7.434 7.972 ( 0.954 0.000 7.042) 7.106 8.086 ( 2.073 0.000 -0.538) 2.141 8.315 ( -12.340 -0.000 1.683) 12.454 8.329 ( 0.288 0.000 -3.097) 3.110 8.504 ( -0.499 -0.000 11.670) 11.680 8.649 ( 1.549 0.000 3.002) 3.378 8.806 ( 15.395 0.000 -7.484) 17.118 9.270 ( -8.559 -0.000 13.702) 16.155 9.491 ( 16.229 0.000 -58.822) 61.019 9.733 ( -7.908 -0.000 3.903) 8.819 10.010 ( -2.557 -0.000 1.162) 2.808 10.023 ( 1.860 0.000 -0.753) 2.007 10.128 ( 2.215 0.000 -8.915) 9.186 10.302 ( -8.933 -0.000 4.560) 10.029 10.349 ( 4.366 0.000 1.395) 4.583 10.691 ( 3.757 0.000 -3.105) 4.874 10.774 ( 5.307 0.000 6.286) 8.227 10.861 ( 5.086 0.000 4.656) 6.895 11.025 ( -5.232 -0.000 -2.323) 5.725 11.074 ( 0.382 0.000 -0.042) 0.385 11.260 ( 10.983 0.000 -3.720) 11.596 11.687 ( 4.769 0.000 -1.071) 4.888 11.693 ( -4.674 -0.000 0.227) 4.679 12.086 ( 8.913 0.000 -9.930) 13.344 12.708 ( -2.526 -0.000 -0.202) 2.534 12.718 ( -1.872 -0.000 -0.895) 2.075 16.656 ( 8.517 0.000 -59.566) 60.172 16.805 ( -12.162 -0.000 11.970) 17.065 17.817 ( 2.404 0.000 1.439) 2.802 17.824 ( 5.981 0.000 -2.040) 6.319 18.121 ( 8.761 0.000 -2.122) 9.014 18.336 ( 2.402 0.000 -4.468) 5.073 19.179 ( -2.033 -0.000 -2.003) 2.853 19.343 ( -13.177 -0.000 3.311) 13.587 19.441 ( -1.721 -0.000 0.342) 1.754 19.513 ( -2.366 -0.000 -0.867) 2.520 19.795 ( 7.330 0.000 1.183) 7.425 20.020 ( 14.538 0.000 10.201) 17.760 20.313 ( 11.754 0.000 -0.922) 11.790 21.038 ( 26.380 0.000 -89.744) 93.540 21.721 ( -0.316 -0.000 -0.029) 0.318 21.791 ( 0.387 0.000 1.364) 1.418 21.932 ( -15.822 -0.000 51.654) 54.023 22.198 ( 0.526 0.000 -1.180) 1.292 22.444 ( 0.058 0.000 -0.470) 0.473 22.715 ( -4.849 -0.000 1.350) 5.033 22.772 ( -1.745 -0.000 0.523) 1.822 22.949 ( -3.941 -0.000 0.506) 3.973 ======================= Grid point 13 (8/86) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 18.032 -9.243 -1.310) 20.305 0.728 ( 15.439 -12.746 9.602) 22.205 1.112 ( 4.832 2.078 -0.656) 5.301 1.223 ( 25.701 -8.288 -6.173) 27.701 1.295 ( 18.609 -12.346 -4.656) 22.812 1.704 ( 9.318 7.383 -0.590) 11.903 1.747 ( 13.034 -5.314 11.851) 18.400 1.976 ( 11.241 4.359 -6.921) 13.902 2.115 ( 6.562 -3.925 -2.925) 8.187 2.345 ( 3.023 -9.073 0.806) 9.597 2.469 ( -4.234 -0.902 2.701) 5.103 2.530 ( 7.420 0.155 -0.796) 7.464 2.622 ( 3.465 -2.150 -0.459) 4.104 2.707 ( -1.140 -1.993 -0.610) 2.376 2.931 ( -4.030 1.726 -2.183) 4.898 3.073 ( -4.184 -2.448 2.638) 5.519 3.151 ( -4.506 4.687 0.077) 6.502 3.175 ( -1.106 3.015 1.219) 3.435 3.391 ( -4.175 -5.870 3.058) 7.825 3.416 ( 3.993 0.590 -4.676) 6.177 3.510 ( -3.844 2.247 -1.268) 4.630 3.620 ( -3.407 -2.997 -1.366) 4.739 3.694 ( -1.868 0.416 -1.589) 2.488 3.733 ( -0.553 5.583 -0.752) 5.660 3.846 ( 0.527 -3.948 4.177) 5.772 4.056 ( -10.607 1.775 3.712) 11.377 4.169 ( -6.021 3.571 -0.929) 7.062 4.277 ( 0.169 -1.082 -3.394) 3.566 4.311 ( -4.041 4.023 -0.536) 5.727 4.434 ( -4.472 9.875 0.022) 10.840 4.631 ( -2.583 3.154 3.012) 5.069 4.710 ( 1.031 -4.096 -0.854) 4.309 4.774 ( 1.777 2.797 -4.264) 5.400 4.860 ( 3.947 2.892 -5.859) 7.634 4.922 ( -6.876 -0.391 4.106) 8.019 4.958 ( -3.207 -2.531 -1.390) 4.315 5.030 ( -6.618 -3.752 -0.946) 7.666 5.324 ( -5.699 -0.348 -1.845) 6.000 5.422 ( -9.002 -2.473 2.857) 9.763 5.433 ( -3.710 6.789 2.822) 8.235 5.573 ( 0.991 -2.650 1.685) 3.293 5.717 ( 0.485 -3.275 -1.893) 3.813 5.864 ( 3.195 0.446 -3.890) 5.054 5.928 ( -1.769 -0.030 1.963) 2.642 6.114 ( 6.917 -0.085 0.936) 6.980 6.297 ( 10.450 0.587 0.478) 10.478 6.321 ( 11.585 2.246 -3.616) 12.342 6.545 ( 2.546 -5.798 4.282) 7.645 6.641 ( 9.377 2.219 -1.244) 9.716 6.953 ( 1.158 -3.385 -3.518) 5.018 7.198 ( -2.452 -0.061 3.051) 3.914 7.323 ( 9.080 20.874 -4.573) 23.218 7.559 ( -6.106 3.350 -3.171) 7.653 7.680 ( -2.409 1.047 2.132) 3.383 7.984 ( 0.912 -0.466 -2.401) 2.611 8.078 ( -7.904 1.264 3.825) 8.872 8.238 ( -4.086 1.179 2.310) 4.839 8.331 ( 2.056 -0.951 -6.671) 7.045 8.560 ( 1.547 -2.986 11.236) 11.728 8.629 ( 2.207 3.875 0.562) 4.495 8.830 ( 11.552 20.460 -3.448) 23.747 8.913 ( 12.191 4.860 -6.230) 14.527 9.376 ( 8.157 2.569 -8.003) 11.713 9.759 ( -10.026 1.435 6.754) 12.174 9.960 ( -3.137 2.438 -2.593) 4.744 10.091 ( -4.521 -2.166 -6.523) 8.227 10.158 ( -2.081 -1.057 -1.219) 2.634 10.252 ( -1.733 -3.212 3.080) 4.776 10.430 ( 0.919 -3.882 2.925) 4.947 10.694 ( 3.491 1.865 -2.852) 4.878 10.805 ( 2.675 0.832 4.405) 5.220 10.957 ( 6.049 -2.297 4.211) 7.720 10.967 ( -2.720 1.508 -3.855) 4.954 11.122 ( -1.051 -3.818 1.363) 4.188 11.319 ( 11.974 2.614 -1.517) 12.349 11.590 ( 4.055 9.636 -3.282) 10.958 11.694 ( 5.077 3.448 0.369) 6.148 11.828 ( 13.951 14.487 -0.514) 20.119 12.669 ( -3.769 2.649 -0.242) 4.613 12.713 ( -4.779 1.147 -0.061) 4.915 16.412 ( 5.034 9.062 -15.807) 18.903 16.678 ( -10.644 7.277 7.688) 15.011 17.842 ( -0.167 -2.270 -0.620) 2.359 17.935 ( 6.672 -4.736 -0.213) 8.185 18.031 ( 5.786 -1.435 0.403) 5.975 18.764 ( -1.175 -17.018 -3.524) 17.419 19.121 ( -1.042 3.223 -0.722) 3.463 19.216 ( -10.099 3.576 0.305) 10.718 19.353 ( -2.698 6.708 1.197) 7.329 19.516 ( -5.237 -2.137 -1.822) 5.942 19.843 ( 6.282 1.046 -1.315) 6.503 20.105 ( 15.274 7.247 -1.186) 16.947 20.270 ( 23.043 11.314 11.830) 28.265 20.816 ( 14.442 3.798 -22.653) 27.133 21.544 ( 0.696 0.921 8.749) 8.824 21.720 ( 2.687 1.816 -1.910) 3.764 22.108 ( -2.053 6.008 -0.358) 6.359 22.271 ( -6.886 -1.215 6.032) 9.234 22.482 ( 0.907 -3.515 -2.158) 4.223 22.810 ( -3.532 -6.883 -1.145) 7.821 22.949 ( -6.002 -4.616 1.574) 7.734 23.044 ( -20.413 -21.439 -3.174) 29.773 ======================= Grid point 14 (9/86) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 15.717 -10.625 -2.334) 19.114 1.019 ( 8.764 -0.156 8.690) 12.343 1.181 ( 3.891 -12.801 5.872) 14.612 1.368 ( 14.546 1.576 -13.980) 20.236 1.710 ( 13.693 -7.387 -0.120) 15.559 1.753 ( 10.415 -4.582 0.617) 11.395 1.984 ( 9.757 -3.928 -0.721) 10.543 2.065 ( 17.282 -9.055 -1.276) 19.552 2.229 ( 8.305 -2.807 -2.111) 9.017 2.441 ( -3.117 0.764 5.383) 6.267 2.519 ( -3.097 -2.708 2.378) 4.752 2.586 ( 2.610 -4.112 -0.001) 4.870 2.743 ( 5.877 -5.755 1.202) 8.313 2.783 ( 6.194 -4.918 -1.126) 7.989 2.939 ( -3.350 -5.212 -3.705) 7.219 3.001 ( -6.302 4.999 2.058) 8.303 3.089 ( 1.722 0.787 -0.466) 1.949 3.101 ( -5.809 2.407 3.184) 7.048 3.405 ( 0.328 0.455 -4.678) 4.712 3.425 ( -3.663 2.899 -1.151) 4.812 3.458 ( -2.902 -2.272 2.225) 4.305 3.568 ( -2.133 6.104 -1.333) 6.602 3.604 ( -3.793 0.352 0.802) 3.893 3.674 ( -2.229 0.777 -2.793) 3.657 3.803 ( -7.081 5.927 6.964) 11.565 3.969 ( -5.864 3.090 -0.200) 6.631 4.111 ( -5.290 -3.083 -0.689) 6.161 4.173 ( -5.626 8.182 0.127) 9.930 4.264 ( -3.532 0.851 -0.364) 3.651 4.371 ( 2.921 -4.706 -3.349) 6.473 4.557 ( -3.586 2.328 3.675) 5.637 4.681 ( 0.926 4.961 -5.822) 7.705 4.781 ( -0.696 -3.281 -2.342) 4.091 4.846 ( -5.721 1.647 3.012) 6.672 4.885 ( 4.473 -1.342 1.628) 4.945 4.960 ( -2.927 -1.213 -0.032) 3.169 5.057 ( -5.809 -2.479 -3.039) 7.009 5.273 ( -8.265 0.619 2.032) 8.534 5.324 ( 1.546 3.119 0.063) 3.482 5.419 ( -5.292 -3.459 0.792) 6.372 5.682 ( 3.860 -5.252 0.569) 6.543 5.751 ( -0.929 -0.516 0.402) 1.136 5.867 ( 2.552 0.620 -1.941) 3.265 5.919 ( -0.969 -0.136 1.640) 1.909 6.157 ( 8.045 1.938 0.963) 8.331 6.315 ( 6.378 2.812 -0.170) 6.973 6.405 ( 10.447 0.008 -1.946) 10.627 6.603 ( 0.437 2.996 5.400) 6.191 6.660 ( 4.797 -0.195 -0.637) 4.843 6.966 ( 6.708 15.526 -4.517) 17.506 7.084 ( 8.382 0.366 -3.793) 9.208 7.171 ( -4.270 1.066 2.470) 5.048 7.439 ( -4.897 3.171 -1.769) 6.097 7.669 ( 5.768 1.648 -0.800) 6.052 7.944 ( -8.537 5.760 2.302) 10.553 7.997 ( -1.960 -2.130 -3.698) 4.696 8.212 ( -2.848 -1.090 5.912) 6.652 8.363 ( 1.478 -1.239 -5.838) 6.148 8.499 ( -1.416 12.631 6.996) 14.508 8.563 ( -1.024 7.521 -2.934) 8.138 8.678 ( 3.382 -3.414 5.764) 7.504 8.987 ( 13.680 -0.394 -7.002) 15.373 9.392 ( 6.030 0.804 -3.161) 6.856 9.621 ( -5.535 5.999 4.328) 9.239 9.896 ( -4.629 -0.134 0.909) 4.719 10.065 ( -2.330 0.152 -3.034) 3.829 10.173 ( -1.783 -2.109 -2.797) 3.931 10.305 ( -3.140 -2.860 3.055) 5.232 10.491 ( 2.019 -0.154 2.019) 2.859 10.692 ( 1.689 -0.391 -2.189) 2.792 10.798 ( 3.786 4.355 2.603) 6.331 10.913 ( -2.641 0.059 -3.036) 4.024 11.035 ( 6.512 0.442 1.239) 6.644 11.158 ( 0.478 2.361 2.253) 3.298 11.329 ( 11.356 5.096 0.155) 12.448 11.494 ( 9.252 3.607 -2.394) 10.215 11.642 ( 6.462 6.602 -0.699) 9.265 11.742 ( -0.668 1.349 1.001) 1.808 12.570 ( -4.174 4.177 0.338) 5.914 12.600 ( -5.380 5.897 -0.141) 7.983 16.306 ( 1.260 3.246 -6.002) 6.938 16.480 ( -7.728 6.347 5.027) 11.193 17.893 ( -0.949 -3.674 -0.249) 3.803 18.093 ( 5.821 -5.930 -0.565) 8.329 18.164 ( 4.352 -6.472 0.580) 7.821 18.908 ( 0.266 -0.310 -0.465) 0.619 19.016 ( -4.537 6.909 -0.403) 8.275 19.089 ( -6.565 0.148 -0.826) 6.618 19.191 ( -3.788 7.137 0.839) 8.123 19.487 ( -2.065 1.956 2.597) 3.852 19.840 ( 3.906 2.577 -5.324) 7.088 20.065 ( 24.183 11.461 -3.987) 27.057 20.323 ( 2.892 -2.831 9.397) 10.232 20.946 ( 8.352 -7.107 -5.513) 12.274 21.582 ( 0.161 -2.169 2.241) 3.123 21.721 ( 3.773 0.386 -0.962) 3.913 21.946 ( -2.165 8.236 -0.533) 8.533 22.180 ( -4.701 5.558 2.979) 7.866 22.573 ( 1.813 -5.237 -1.510) 5.744 22.908 ( -3.192 -5.635 -0.576) 6.502 23.003 ( -4.798 -5.015 1.800) 7.170 23.166 ( -14.959 -8.860 -2.046) 17.506 ======================= Grid point 15 (10/86) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 9.447 -6.467 2.500) 11.718 1.150 ( 13.095 -2.889 -8.584) 15.922 1.440 ( 12.461 -2.337 -4.384) 13.415 1.487 ( 2.074 -12.047 7.637) 14.414 1.836 ( 1.113 -3.388 0.734) 3.640 1.929 ( 7.540 -4.588 2.604) 9.203 2.120 ( 4.785 -1.949 -2.879) 5.915 2.240 ( -1.478 1.775 0.504) 2.364 2.413 ( 10.089 -6.928 2.421) 12.476 2.427 ( 9.536 -1.153 -4.283) 10.517 2.527 ( -5.867 -2.687 3.855) 7.517 2.664 ( -0.659 -0.134 0.606) 0.905 2.858 ( 4.532 0.937 1.129) 4.764 2.879 ( 1.602 -0.057 -1.499) 2.195 2.961 ( -1.568 -5.295 -1.155) 5.642 3.005 ( -2.619 -3.168 -0.221) 4.117 3.050 ( 1.861 -3.227 0.109) 3.727 3.091 ( -0.252 0.042 1.501) 1.522 3.343 ( 2.489 3.161 -3.558) 5.371 3.377 ( -1.367 2.646 1.149) 3.192 3.437 ( -3.354 2.574 0.782) 4.299 3.490 ( -3.994 -1.236 -0.851) 4.267 3.586 ( -0.563 0.876 -0.679) 1.243 3.654 ( 1.349 -0.908 -1.056) 1.939 3.697 ( -2.375 1.290 4.132) 4.938 3.875 ( -6.155 0.232 -2.626) 6.696 3.982 ( -5.363 5.592 0.973) 7.808 4.118 ( -4.977 -0.356 -0.957) 5.081 4.200 ( -8.649 -0.112 2.132) 8.909 4.448 ( -7.630 -1.140 2.534) 8.120 4.525 ( 3.753 -0.529 -1.565) 4.100 4.624 ( 1.529 -0.002 -3.666) 3.973 4.764 ( -5.483 -0.186 2.202) 5.912 4.890 ( -5.171 -4.716 -0.232) 7.002 4.928 ( 1.770 0.880 -5.313) 5.668 4.944 ( 2.618 -1.313 1.623) 3.348 5.056 ( 1.588 -0.170 0.375) 1.640 5.226 ( -3.816 -1.146 1.945) 4.434 5.307 ( 0.858 0.328 -0.195) 0.939 5.454 ( -4.463 -3.543 -0.143) 5.700 5.703 ( -1.225 3.413 1.073) 3.782 5.814 ( 1.988 -3.451 0.101) 3.984 5.885 ( 1.932 -1.675 0.094) 2.559 5.936 ( 4.761 0.316 -0.548) 4.803 6.174 ( 7.441 3.145 1.376) 8.195 6.271 ( 2.355 6.228 2.835) 7.237 6.442 ( 3.692 2.402 -0.412) 4.424 6.559 ( -0.006 0.464 0.034) 0.465 6.670 ( 5.562 9.916 -2.664) 11.677 6.719 ( 4.341 5.261 -1.915) 7.084 7.090 ( -6.058 2.594 -0.282) 6.596 7.127 ( 0.519 1.770 0.182) 1.853 7.394 ( 1.884 -0.036 0.648) 1.992 7.704 ( 14.270 2.872 -4.594) 15.264 7.775 ( -8.321 4.256 1.405) 9.452 8.017 ( -2.754 -1.493 1.248) 3.372 8.220 ( -4.460 10.998 6.671) 13.615 8.242 ( -5.358 -0.534 -1.726) 5.655 8.379 ( 1.061 -0.957 -2.331) 2.734 8.435 ( -2.776 3.209 -1.169) 4.401 8.768 ( 3.075 -1.770 4.543) 5.765 9.090 ( 11.033 -0.788 -5.879) 12.526 9.397 ( 1.926 2.109 0.775) 2.959 9.539 ( -0.601 -0.166 0.354) 0.717 9.897 ( -2.976 -2.154 3.369) 4.984 10.034 ( -0.640 1.072 -4.094) 4.280 10.186 ( -2.406 -1.474 -0.900) 2.962 10.328 ( -5.967 -2.879 2.965) 7.259 10.475 ( 4.743 4.622 -1.499) 6.790 10.667 ( 1.338 4.937 -0.684) 5.161 10.764 ( -0.621 -0.429 2.932) 3.027 10.916 ( 1.611 -0.249 0.365) 1.670 11.014 ( -2.995 3.899 -1.919) 5.278 11.065 ( 12.982 10.059 -0.209) 16.424 11.359 ( 3.908 -0.701 1.248) 4.162 11.481 ( 10.865 8.013 -0.269) 13.503 11.623 ( 0.581 -3.452 -1.198) 3.700 11.762 ( -1.147 -3.964 0.458) 4.152 12.412 ( -4.474 8.771 -0.006) 9.846 12.466 ( -5.161 3.282 0.300) 6.123 16.258 ( 0.309 1.701 -3.605) 3.998 16.350 ( -5.227 2.971 3.499) 6.956 17.965 ( -0.480 -4.394 -0.047) 4.420 18.211 ( 2.433 -3.090 -1.224) 4.119 18.325 ( 3.991 -6.100 1.032) 7.362 18.781 ( -0.453 9.651 0.857) 9.699 18.927 ( -3.049 0.062 0.363) 3.071 19.009 ( -5.148 4.792 -3.007) 7.649 19.107 ( -2.900 -2.489 0.209) 3.828 19.436 ( 1.469 4.022 5.528) 6.993 19.793 ( 2.425 3.560 -6.071) 7.444 19.995 ( 15.281 12.265 -0.170) 19.595 20.474 ( 1.234 -9.332 2.699) 9.793 21.104 ( 1.835 -5.188 -0.823) 5.564 21.625 ( 0.130 -1.916 -0.192) 1.930 21.739 ( 2.360 1.016 -0.660) 2.653 21.793 ( -0.186 5.816 0.527) 5.843 22.029 ( -3.599 6.817 1.148) 7.793 22.697 ( 2.692 -6.028 -1.244) 6.718 22.955 ( -3.288 -1.926 1.230) 4.004 23.067 ( -2.678 -4.464 -0.046) 5.205 23.187 ( -9.310 -4.435 -0.684) 10.335 ======================= Grid point 16 (11/86) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 10.251 4.516 -8.640) 14.147 1.371 ( 8.125 -9.388 -2.079) 12.589 1.592 ( 4.138 -4.247 2.167) 6.313 1.682 ( 2.081 -5.205 6.342) 8.464 1.853 ( -4.201 1.209 2.829) 5.207 2.007 ( -0.451 4.610 5.726) 7.365 2.110 ( 0.484 -1.382 0.575) 1.573 2.236 ( 6.143 1.788 -6.701) 9.265 2.407 ( -8.264 -4.252 -1.371) 9.394 2.564 ( 1.650 -3.500 0.990) 3.994 2.587 ( -4.000 2.745 -0.447) 4.872 2.693 ( 10.464 -7.960 -1.208) 13.203 2.810 ( -1.082 4.588 -1.460) 4.935 2.902 ( 2.181 -0.719 2.645) 3.503 2.990 ( -3.478 3.950 -0.505) 5.287 3.022 ( 0.037 -1.847 0.077) 1.849 3.100 ( 1.945 -1.908 -1.941) 3.345 3.165 ( 1.813 4.086 2.428) 5.087 3.260 ( 0.936 1.354 2.252) 2.790 3.357 ( 0.039 0.097 1.035) 1.040 3.397 ( 2.364 0.441 -3.391) 4.157 3.483 ( -1.053 -2.700 -1.779) 3.401 3.601 ( -1.438 0.352 1.175) 1.891 3.670 ( -3.069 0.473 1.589) 3.488 3.723 ( 2.037 -5.615 -2.759) 6.580 3.854 ( -0.053 1.024 0.192) 1.043 3.906 ( -2.656 -2.574 -3.139) 4.851 4.078 ( -6.150 -1.414 0.781) 6.359 4.181 ( -6.074 -3.522 3.142) 7.692 4.400 ( -5.134 -0.378 3.451) 6.198 4.506 ( -3.729 2.037 0.498) 4.278 4.677 ( 1.978 -2.655 -4.055) 5.235 4.775 ( 2.763 -2.288 3.146) 4.771 4.841 ( -5.862 0.307 -3.225) 6.698 4.931 ( 0.104 3.137 -2.116) 3.785 5.008 ( 1.696 -3.806 0.661) 4.219 5.128 ( 7.417 -3.199 -0.590) 8.099 5.259 ( 1.688 -1.939 0.122) 2.574 5.310 ( -0.650 -0.100 1.258) 1.420 5.471 ( -5.334 -1.966 0.330) 5.695 5.626 ( 0.886 3.831 0.327) 3.946 5.843 ( -2.371 -0.968 1.915) 3.198 5.889 ( 1.870 3.902 -0.295) 4.337 6.014 ( 3.569 -4.216 -1.551) 5.738 6.103 ( 1.090 8.581 -0.837) 8.691 6.197 ( 0.069 2.371 5.760) 6.230 6.365 ( 2.556 7.956 -3.326) 8.994 6.500 ( 1.322 4.921 -1.224) 5.241 6.570 ( -0.471 -0.435 -1.809) 1.919 6.725 ( 0.426 0.264 1.494) 1.576 6.998 ( -4.712 1.188 1.223) 5.011 7.078 ( 0.389 1.912 -2.151) 2.904 7.422 ( 2.308 0.614 0.764) 2.508 7.621 ( -4.865 3.801 -0.375) 6.185 7.816 ( 10.513 -1.299 -4.329) 11.444 7.864 ( -5.463 11.245 4.076) 13.149 8.100 ( -4.684 -2.899 3.805) 6.695 8.263 ( 1.381 -1.932 -5.642) 6.121 8.378 ( -1.710 -0.067 0.839) 1.905 8.431 ( 3.980 -0.809 1.495) 4.328 8.812 ( 3.599 0.576 2.555) 4.451 9.134 ( 4.313 1.554 -3.089) 5.528 9.389 ( 2.119 0.343 0.885) 2.322 9.568 ( -0.173 -1.747 -0.721) 1.898 9.926 ( -3.185 -2.087 3.560) 5.213 9.999 ( -0.439 1.343 -3.697) 3.958 10.194 ( -1.363 -1.407 -0.041) 1.960 10.333 ( -8.038 -2.138 1.368) 8.429 10.408 ( 5.916 4.435 -2.081) 7.681 10.594 ( -0.641 2.297 1.597) 2.870 10.753 ( -1.127 2.026 2.004) 3.064 10.909 ( 8.262 7.281 0.239) 11.015 10.938 ( -2.971 -0.204 1.051) 3.158 10.975 ( 4.509 4.672 -3.765) 7.505 11.389 ( 1.770 1.469 2.471) 3.376 11.416 ( 4.333 3.459 -2.004) 5.896 11.704 ( 0.932 -3.320 -0.131) 3.451 11.867 ( 1.168 -6.084 -0.013) 6.196 12.214 ( -3.717 7.590 -0.368) 8.459 12.384 ( -3.479 1.471 0.569) 3.820 16.225 ( -0.515 1.081 -1.543) 1.953 16.298 ( -2.131 0.259 1.521) 2.631 18.046 ( 0.709 -3.879 0.058) 3.943 18.259 ( -0.045 -1.868 -1.516) 2.406 18.429 ( 1.455 -1.740 1.981) 3.012 18.627 ( -0.200 6.244 0.102) 6.248 18.905 ( -1.773 1.036 -3.449) 4.014 18.934 ( -0.074 -1.461 1.477) 2.079 19.160 ( -0.451 -3.831 0.133) 3.860 19.378 ( 0.822 4.215 3.631) 5.624 19.719 ( -1.010 3.471 -4.021) 5.407 19.847 ( 4.082 10.963 0.963) 11.737 20.672 ( 5.299 -7.482 0.719) 9.196 21.171 ( -2.642 -2.959 -0.152) 3.970 21.652 ( 0.115 -0.703 0.005) 0.713 21.690 ( 0.353 3.259 -0.539) 3.322 21.753 ( 1.521 0.936 -0.446) 1.840 21.895 ( -1.812 4.668 1.176) 5.144 22.826 ( 2.751 -5.312 -1.525) 6.173 22.939 ( -2.691 1.264 1.465) 3.315 23.120 ( -1.999 -2.748 0.226) 3.406 23.207 ( -3.530 -3.524 -0.424) 5.005 ======================= Grid point 17 (12/86) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 5.035 4.682 -1.581) 7.055 1.462 ( 0.798 7.446 2.235) 7.815 1.622 ( -2.674 3.672 -6.040) 7.558 1.698 ( 0.761 6.544 2.685) 7.114 1.832 ( -5.124 -7.229 7.359) 11.518 1.893 ( 1.444 4.098 -2.219) 4.879 2.144 ( -0.227 1.775 1.363) 2.249 2.222 ( 0.041 -1.639 -2.876) 3.311 2.467 ( -3.501 -5.942 -1.698) 7.103 2.508 ( -2.814 5.440 0.695) 6.164 2.653 ( -0.041 3.473 1.527) 3.794 2.712 ( -1.184 1.216 -1.626) 2.351 2.830 ( -2.218 -1.447 3.667) 4.523 2.907 ( -0.289 0.533 -0.087) 0.613 2.927 ( 6.033 1.479 -2.265) 6.612 2.986 ( 0.215 -1.797 -1.174) 2.158 3.091 ( -2.837 3.786 2.372) 5.292 3.134 ( 2.596 -2.687 -3.541) 5.148 3.265 ( 3.673 0.045 -1.795) 4.088 3.389 ( 1.421 -1.618 0.356) 2.183 3.427 ( 3.551 0.032 -2.411) 4.292 3.445 ( -5.766 4.692 5.374) 9.173 3.604 ( -0.284 -2.477 2.408) 3.466 3.672 ( -2.152 -2.836 -3.072) 4.703 3.787 ( -1.994 4.342 0.603) 4.816 3.834 ( 2.615 -1.942 -1.228) 3.481 3.994 ( 5.101 -4.621 -2.079) 7.190 4.104 ( -3.409 -4.446 0.872) 5.670 4.248 ( -2.816 -6.636 3.052) 7.829 4.393 ( -4.849 -0.841 0.761) 4.980 4.453 ( -0.257 -0.260 0.641) 0.738 4.738 ( 1.160 -2.543 0.207) 2.803 4.796 ( -1.290 -1.072 -6.641) 6.849 4.841 ( 2.399 5.392 -1.670) 6.133 4.880 ( 6.050 -1.597 5.270) 8.181 5.105 ( 1.967 -4.295 -1.019) 4.833 5.219 ( 0.285 0.117 -0.388) 0.495 5.268 ( 7.220 4.014 2.175) 8.542 5.317 ( 0.060 -0.927 0.254) 0.964 5.450 ( -6.582 -1.945 -0.787) 6.908 5.593 ( 1.940 0.592 0.087) 2.030 5.831 ( 0.380 1.784 0.592) 1.918 5.838 ( -5.519 -0.575 0.315) 5.558 5.931 ( -3.857 6.085 -1.274) 7.317 6.078 ( -2.518 -0.683 0.176) 2.615 6.118 ( -3.667 5.130 0.869) 6.365 6.267 ( 2.212 2.009 1.433) 3.314 6.467 ( 0.858 0.677 -1.601) 1.939 6.538 ( -6.034 0.556 -0.291) 6.066 6.693 ( -1.386 2.804 0.545) 3.175 7.016 ( 1.103 -3.838 0.996) 4.116 7.088 ( 3.028 -2.301 -2.379) 4.486 7.365 ( -2.178 4.097 -2.165) 5.120 7.557 ( -11.831 -1.032 2.390) 12.114 7.635 ( -1.340 4.454 4.200) 6.267 7.980 ( 12.942 -3.952 -7.857) 15.648 8.135 ( -3.290 -1.996 5.890) 7.036 8.304 ( 3.083 -1.993 -5.489) 6.603 8.401 ( 4.549 -0.774 2.123) 5.080 8.477 ( 3.866 -0.164 1.720) 4.235 8.822 ( 3.933 1.783 0.422) 4.339 9.103 ( -0.802 2.613 -0.414) 2.764 9.388 ( 1.334 1.661 0.477) 2.184 9.571 ( -1.654 0.950 -0.263) 1.925 9.928 ( -6.160 -1.425 2.886) 6.950 9.960 ( 0.575 1.417 -3.447) 3.771 10.239 ( 2.134 -3.291 -0.086) 3.923 10.300 ( -0.522 0.708 -1.456) 1.701 10.411 ( -5.587 -3.018 2.492) 6.822 10.593 ( 2.144 -1.601 0.450) 2.714 10.708 ( -1.005 1.469 -0.842) 1.969 10.790 ( 6.471 8.912 -0.465) 11.023 10.932 ( -1.223 0.013 0.637) 1.379 10.976 ( -0.274 -2.054 -0.278) 2.091 11.340 ( 1.067 3.808 -0.242) 3.963 11.400 ( -0.131 1.343 0.050) 1.351 11.734 ( 0.158 1.096 0.315) 1.151 11.912 ( -2.448 2.615 -0.062) 3.583 12.159 ( 2.194 -4.441 -0.798) 5.017 12.376 ( -1.037 -2.692 0.687) 2.965 16.207 ( -1.144 -0.068 0.445) 1.229 16.303 ( 0.302 -1.302 -0.497) 1.426 18.114 ( 3.181 -1.440 0.010) 3.492 18.289 ( 0.802 -0.858 -0.099) 1.179 18.438 ( -2.307 -0.270 1.486) 2.757 18.528 ( -1.954 3.514 -1.906) 4.450 18.916 ( 0.819 -2.632 0.380) 2.783 19.003 ( 5.610 -2.911 0.923) 6.387 19.220 ( 2.711 -0.557 -1.480) 3.138 19.312 ( -1.077 2.328 0.847) 2.701 19.636 ( -6.494 1.282 -1.737) 6.844 19.671 ( -5.409 6.496 1.566) 8.597 20.810 ( 8.839 -0.328 0.093) 8.845 21.191 ( -3.069 -1.228 -0.061) 3.306 21.639 ( -1.259 1.222 -0.370) 1.793 21.657 ( 0.176 -0.002 0.551) 0.579 21.748 ( -0.011 0.868 -0.590) 1.049 21.854 ( 0.527 -1.455 0.433) 1.607 22.868 ( -1.798 3.718 0.863) 4.220 22.935 ( 1.959 -3.636 -1.468) 4.383 23.142 ( -1.382 -1.017 1.001) 1.986 23.264 ( 1.113 -3.423 -0.406) 3.622 ======================= Grid point 18 (13/86) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.942 2.991 4.922) 5.836 1.178 ( -3.592 16.941 -0.227) 17.319 1.411 ( -4.274 11.198 -2.294) 12.204 1.576 ( -0.776 7.481 1.097) 7.601 1.820 ( -3.100 3.467 -0.252) 4.657 1.998 ( -0.260 -4.212 -5.435) 6.881 2.055 ( 0.273 1.596 -0.773) 1.794 2.204 ( -4.977 8.698 3.386) 10.578 2.318 ( -1.724 10.669 -1.335) 10.890 2.413 ( -6.361 7.634 4.200) 10.788 2.552 ( -0.636 -5.071 -2.029) 5.499 2.747 ( -1.280 0.543 -0.897) 1.655 2.793 ( -1.652 7.200 2.056) 7.668 2.868 ( -4.230 1.114 2.045) 4.829 2.978 ( -0.184 -2.552 0.815) 2.685 3.011 ( -0.697 -1.032 -0.213) 1.264 3.111 ( 7.636 -6.242 -4.955) 11.037 3.197 ( 3.807 1.803 -2.138) 4.724 3.294 ( 1.681 2.650 2.398) 3.949 3.370 ( 2.552 -2.800 -0.105) 3.790 3.430 ( -2.948 -3.498 2.902) 5.417 3.486 ( 6.891 -3.343 -5.464) 9.408 3.640 ( 0.133 -0.863 3.484) 3.591 3.654 ( -2.430 2.726 0.150) 3.655 3.720 ( -1.673 -0.407 -1.806) 2.496 3.870 ( 1.371 -2.011 0.167) 2.440 4.098 ( 3.368 -2.088 4.188) 5.766 4.170 ( 2.132 -3.239 -2.520) 4.624 4.327 ( -7.560 -2.244 2.404) 8.244 4.429 ( -1.119 -7.784 -1.204) 7.956 4.489 ( 7.869 1.523 -0.101) 8.016 4.748 ( 2.766 3.303 -4.066) 5.924 4.775 ( -3.494 -0.619 2.181) 4.165 4.847 ( 5.505 -1.788 -3.900) 6.980 4.899 ( -2.694 3.828 5.376) 7.128 5.098 ( 4.560 6.110 -1.795) 7.832 5.228 ( -0.075 -2.050 0.202) 2.061 5.266 ( 7.406 2.081 -0.265) 7.697 5.309 ( -0.036 0.272 1.353) 1.380 5.471 ( -5.570 -3.763 0.333) 6.730 5.640 ( 0.939 -3.457 -2.020) 4.113 5.750 ( -1.059 3.288 -1.448) 3.746 5.843 ( -0.220 -1.869 -0.209) 1.894 5.854 ( -8.191 -1.683 1.228) 8.452 5.983 ( -3.117 3.810 0.123) 4.924 6.071 ( -8.069 -2.223 0.778) 8.405 6.281 ( -0.346 -1.039 2.536) 2.762 6.416 ( -5.118 2.751 0.669) 5.848 6.517 ( -3.529 -2.762 0.202) 4.486 6.619 ( -1.688 3.026 -1.704) 3.861 7.087 ( 1.561 -0.950 -2.376) 2.997 7.197 ( 2.965 -5.453 3.051) 6.916 7.296 ( -1.654 -0.263 -2.960) 3.401 7.513 ( -1.974 -2.733 0.895) 3.488 7.651 ( -5.446 -5.010 3.863) 8.347 8.107 ( 8.375 -2.103 -15.869) 18.066 8.132 ( -3.601 0.136 10.902) 11.482 8.389 ( 5.506 -3.889 -0.949) 6.808 8.456 ( 5.276 0.818 2.470) 5.882 8.507 ( 3.567 -0.152 0.192) 3.575 8.806 ( 2.809 2.703 -1.986) 4.375 9.009 ( -4.369 5.563 2.722) 7.579 9.372 ( 2.432 1.103 -1.441) 3.034 9.502 ( -4.836 2.584 1.551) 5.698 9.920 ( -4.232 -2.310 1.709) 5.116 9.960 ( 1.353 -1.144 -2.619) 3.162 10.296 ( 3.283 0.255 -1.083) 3.466 10.335 ( 0.753 -4.331 0.402) 4.415 10.431 ( -5.504 -3.318 2.062) 6.749 10.636 ( 1.494 5.048 -1.834) 5.575 10.661 ( -2.406 -3.902 -1.985) 4.995 10.759 ( 3.297 -1.484 2.749) 4.542 10.926 ( -1.473 -0.715 -0.550) 1.727 11.017 ( 0.003 -1.933 0.875) 2.122 11.267 ( -2.075 3.315 -0.860) 4.004 11.358 ( -0.669 2.434 -0.072) 2.525 11.672 ( -1.339 4.117 1.000) 4.443 11.832 ( -0.407 3.107 -0.499) 3.173 12.312 ( 1.755 -8.325 -0.618) 8.531 12.464 ( 1.366 -5.761 0.501) 5.942 16.208 ( -1.692 -0.825 1.331) 2.305 16.349 ( 1.434 -2.995 -1.384) 3.597 18.149 ( 6.963 2.162 -0.017) 7.291 18.268 ( 0.600 3.839 1.302) 4.098 18.404 ( -0.097 4.929 -1.593) 5.181 18.492 ( -8.426 -5.941 -0.097) 10.310 19.008 ( 4.502 -4.231 1.851) 6.450 19.122 ( 9.548 -2.642 0.897) 9.947 19.209 ( -0.007 -0.221 -2.018) 2.030 19.294 ( 2.412 1.406 -1.340) 3.097 19.544 ( -13.871 -1.710 0.173) 13.977 19.577 ( -8.887 -1.419 1.164) 9.075 20.817 ( 11.399 7.723 -0.641) 13.784 21.126 ( -6.275 5.078 0.524) 8.089 21.644 ( -0.049 -0.090 -0.314) 0.331 21.672 ( -0.594 -4.262 -0.171) 4.307 21.715 ( -0.790 1.845 0.764) 2.148 21.952 ( 1.481 -7.109 -0.501) 7.279 22.766 ( -1.338 5.557 0.635) 5.751 23.000 ( 1.455 -1.861 -1.185) 2.643 23.143 ( -0.102 0.560 0.682) 0.888 23.348 ( 3.452 -3.530 0.076) 4.938 ======================= Grid point 19 (14/86) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.940 7.103 -1.047) 7.241 0.972 ( -2.224 13.911 1.579) 14.176 1.218 ( -2.677 5.709 2.198) 6.678 1.422 ( 0.207 6.903 0.776) 6.949 1.703 ( -2.393 6.568 -1.421) 7.134 1.800 ( 0.352 15.673 -4.181) 16.225 1.897 ( -8.253 12.996 2.871) 15.661 1.962 ( -4.812 18.701 0.082) 19.310 2.257 ( 0.687 -10.355 -1.685) 10.514 2.332 ( -0.627 4.400 2.214) 4.965 2.590 ( -0.577 4.652 -2.532) 5.328 2.640 ( -4.792 -0.329 4.505) 6.586 2.650 ( -2.281 6.019 -1.543) 6.619 2.846 ( 2.379 3.333 -0.706) 4.156 3.005 ( 1.936 0.123 -2.162) 2.905 3.035 ( -3.748 -0.440 3.339) 5.039 3.141 ( 2.567 3.779 0.192) 4.572 3.188 ( 1.422 3.361 -1.600) 3.985 3.317 ( 2.917 -7.369 -0.270) 7.930 3.465 ( -0.222 -3.781 0.630) 3.840 3.521 ( 1.508 -2.285 -1.195) 2.987 3.585 ( 0.940 -0.011 0.693) 1.168 3.623 ( -0.167 -6.489 2.309) 6.889 3.696 ( 3.384 -2.952 -2.429) 5.105 3.768 ( 3.277 -5.675 -3.314) 7.344 3.951 ( -2.268 -5.366 3.317) 6.704 4.166 ( 4.010 -1.739 3.451) 5.569 4.223 ( 2.471 0.138 -2.325) 3.395 4.307 ( -5.435 -1.654 -0.875) 5.748 4.456 ( 3.447 3.647 0.111) 5.020 4.577 ( 3.458 -2.102 4.046) 5.722 4.655 ( 1.149 6.175 -3.730) 7.305 4.749 ( -9.116 2.417 2.206) 9.686 4.824 ( 0.642 -3.963 0.650) 4.067 4.908 ( 2.848 -0.975 -1.700) 3.457 5.051 ( 4.046 1.809 -5.787) 7.290 5.189 ( -3.878 1.850 4.294) 6.074 5.292 ( 4.362 2.635 0.778) 5.155 5.392 ( 5.980 -3.924 0.956) 7.216 5.489 ( -2.457 -3.197 -1.122) 4.185 5.638 ( -1.624 2.005 -2.094) 3.323 5.743 ( -0.472 -1.333 -0.211) 1.430 5.853 ( -3.335 -2.878 0.374) 4.421 5.906 ( -2.743 -2.308 0.931) 3.704 5.936 ( 4.031 -1.407 -2.339) 4.869 6.054 ( -9.322 -2.882 0.930) 9.801 6.258 ( -3.031 2.843 0.584) 4.196 6.366 ( -7.804 -3.256 4.368) 9.518 6.556 ( -0.155 -1.889 0.987) 2.137 6.579 ( -1.565 -1.996 -3.055) 3.971 7.071 ( -0.560 2.011 -0.653) 2.187 7.254 ( 1.673 0.458 0.218) 1.748 7.390 ( 0.000 -8.006 0.572) 8.027 7.596 ( 4.343 -2.698 -0.726) 5.164 7.759 ( -6.184 -11.078 1.943) 12.835 8.073 ( -2.313 1.469 -1.675) 3.212 8.205 ( 5.227 -2.225 -1.605) 5.904 8.433 ( 4.372 4.329 -0.737) 6.197 8.508 ( 0.954 -3.866 2.007) 4.459 8.538 ( 2.157 0.021 -0.469) 2.208 8.750 ( -0.538 3.365 -2.271) 4.095 8.847 ( -3.557 8.168 2.812) 9.342 9.326 ( -1.229 3.962 0.600) 4.192 9.514 ( -0.842 -6.903 -0.203) 6.958 9.963 ( 1.980 -2.063 -0.899) 2.998 9.992 ( -2.184 -2.978 0.596) 3.741 10.335 ( 5.556 -0.630 -0.215) 5.595 10.388 ( -0.470 -0.276 0.042) 0.547 10.462 ( -0.372 -2.340 0.045) 2.370 10.561 ( -5.297 0.117 0.820) 5.362 10.703 ( -1.664 -1.941 -1.822) 3.139 10.842 ( 4.450 -2.594 1.756) 5.442 10.933 ( -3.768 -2.489 -2.062) 4.965 11.049 ( 0.275 -1.110 2.120) 2.409 11.181 ( -4.314 2.677 -0.741) 5.131 11.310 ( 0.291 2.101 -0.622) 2.211 11.602 ( -0.661 1.991 0.903) 2.284 11.790 ( 0.461 1.495 -0.344) 1.602 12.476 ( 0.503 -7.907 -0.234) 7.926 12.597 ( 1.671 -6.341 0.123) 6.559 16.215 ( -1.878 -1.044 1.412) 2.571 16.435 ( 1.256 -5.322 -1.382) 5.640 18.099 ( 2.510 7.589 0.673) 8.021 18.205 ( 2.375 5.290 -0.439) 5.816 18.297 ( 5.025 5.279 -0.645) 7.317 18.538 ( -12.176 -6.154 0.542) 13.653 19.113 ( 5.515 -1.340 -0.140) 5.677 19.253 ( 4.099 -6.006 3.409) 8.031 19.259 ( 6.676 0.972 -1.351) 6.881 19.323 ( 1.684 -7.020 -1.866) 7.457 19.486 ( -13.872 -3.472 -0.693) 14.317 19.583 ( -7.730 -5.742 1.058) 9.687 20.686 ( 9.762 15.628 -2.241) 18.563 20.931 ( -8.058 7.872 2.367) 11.511 21.610 ( -0.342 2.751 -0.930) 2.924 21.679 ( -0.664 1.220 0.515) 1.481 21.810 ( 0.240 -8.783 0.227) 8.789 22.113 ( 1.289 -8.106 -0.493) 8.223 22.650 ( -0.642 5.657 0.387) 5.706 23.017 ( 0.765 0.999 -0.243) 1.281 23.121 ( 0.652 2.025 -0.202) 2.137 23.450 ( 3.869 -3.930 0.496) 5.537 ======================= Grid point 20 (15/86) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 0.000 18.687 0.000) 18.687 0.922 ( -0.000 -5.242 -0.000) 5.242 0.960 ( 0.000 20.079 0.000) 20.079 1.342 ( 0.000 27.634 0.000) 27.634 1.358 ( 0.000 5.973 0.000) 5.973 1.556 ( 0.000 4.534 0.000) 4.534 1.645 ( 0.000 10.406 0.000) 10.406 1.729 ( 0.000 1.924 0.000) 1.924 2.218 ( 0.000 5.694 0.000) 5.694 2.421 ( -0.000 -1.640 -0.000) 1.640 2.482 ( 0.000 5.041 0.000) 5.041 2.517 ( 0.000 5.421 0.000) 5.421 2.647 ( -0.000 -2.651 -0.000) 2.651 2.726 ( 0.000 8.887 0.000) 8.887 2.977 ( 0.000 2.094 0.000) 2.094 2.992 ( 0.000 1.326 0.000) 1.326 3.169 ( -0.000 -4.190 -0.000) 4.190 3.186 ( -0.000 -1.590 -0.000) 1.590 3.425 ( -0.000 -0.726 -0.000) 0.726 3.517 ( -0.000 -0.475 -0.000) 0.475 3.555 ( -0.000 -2.273 -0.000) 2.273 3.588 ( -0.000 -2.468 -0.000) 2.468 3.746 ( -0.000 -1.481 -0.000) 1.481 3.766 ( -0.000 -3.428 -0.000) 3.428 3.894 ( -0.000 -2.644 -0.000) 2.644 4.037 ( -0.000 -5.620 -0.000) 5.620 4.173 ( 0.000 1.250 0.000) 1.250 4.284 ( -0.000 -5.860 -0.000) 5.860 4.302 ( 0.000 0.463 0.000) 0.463 4.440 ( -0.000 -0.721 -0.000) 0.721 4.544 ( 0.000 2.160 0.000) 2.160 4.569 ( 0.000 0.570 0.000) 0.570 4.750 ( -0.000 -2.226 -0.000) 2.226 4.891 ( 0.000 0.792 0.000) 0.792 4.986 ( -0.000 -6.931 -0.000) 6.931 5.063 ( -0.000 -2.324 -0.000) 2.324 5.160 ( -0.000 -0.841 -0.000) 0.841 5.226 ( 0.000 4.343 0.000) 4.343 5.476 ( -0.000 -1.598 -0.000) 1.598 5.566 ( -0.000 -3.794 -0.000) 3.794 5.579 ( 0.000 3.188 0.000) 3.188 5.745 ( 0.000 0.584 0.000) 0.584 5.856 ( 0.000 3.090 0.000) 3.090 5.917 ( -0.000 -3.114 -0.000) 3.114 5.986 ( 0.000 1.763 0.000) 1.763 6.085 ( -0.000 -5.474 -0.000) 5.474 6.191 ( 0.000 2.094 0.000) 2.094 6.423 ( -0.000 -6.260 -0.000) 6.260 6.593 ( -0.000 -2.270 -0.000) 2.270 6.633 ( -0.000 -3.324 -0.000) 3.324 7.015 ( 0.000 3.265 0.000) 3.265 7.248 ( 0.000 0.938 0.000) 0.938 7.535 ( -0.000 -6.870 -0.000) 6.870 7.666 ( -0.000 -3.448 -0.000) 3.448 7.917 ( -0.000 -4.023 -0.000) 4.023 8.084 ( -0.000 -6.830 -0.000) 6.830 8.240 ( 0.000 2.113 0.000) 2.113 8.375 ( 0.000 2.527 0.000) 2.527 8.508 ( 0.000 2.141 0.000) 2.141 8.585 ( -0.000 -2.960 -0.000) 2.960 8.676 ( 0.000 7.786 0.000) 7.786 8.689 ( 0.000 2.215 0.000) 2.215 9.276 ( 0.000 0.077 0.000) 0.077 9.696 ( -0.000 -11.428 -0.000) 11.428 9.973 ( 0.000 0.692 0.000) 0.692 10.075 ( -0.000 -5.503 -0.000) 5.503 10.347 ( 0.000 3.597 0.000) 3.597 10.349 ( 0.000 3.586 0.000) 3.586 10.494 ( -0.000 -0.043 -0.000) 0.043 10.576 ( -0.000 -4.254 -0.000) 4.254 10.698 ( 0.000 0.475 0.000) 0.475 10.944 ( -0.000 -3.552 -0.000) 3.552 10.946 ( -0.000 -3.152 -0.000) 3.152 11.065 ( -0.000 -0.072 -0.000) 0.072 11.115 ( 0.000 1.418 0.000) 1.418 11.285 ( 0.000 0.675 0.000) 0.675 11.596 ( -0.000 -1.237 -0.000) 1.237 11.770 ( 0.000 1.020 0.000) 1.020 12.612 ( -0.000 -6.046 -0.000) 6.046 12.719 ( -0.000 -5.574 -0.000) 5.574 16.225 ( -0.000 -0.862 -0.000) 0.862 16.569 ( -0.000 -8.536 -0.000) 8.536 17.954 ( 0.000 7.805 0.000) 7.805 18.068 ( 0.000 7.754 0.000) 7.754 18.265 ( 0.000 4.867 0.000) 4.867 18.562 ( -0.000 -3.934 -0.000) 3.934 19.141 ( 0.000 0.479 0.000) 0.479 19.300 ( -0.000 -3.229 -0.000) 3.229 19.387 ( -0.000 -3.426 -0.000) 3.426 19.462 ( -0.000 -3.601 -0.000) 3.601 19.552 ( -0.000 -12.747 -0.000) 12.747 19.669 ( -0.000 -6.420 -0.000) 6.420 20.352 ( 0.000 21.767 0.000) 21.767 20.762 ( 0.000 7.023 0.000) 7.023 21.543 ( 0.000 3.609 0.000) 3.609 21.669 ( -0.000 -0.531 -0.000) 0.531 21.982 ( -0.000 -8.696 -0.000) 8.696 22.258 ( -0.000 -6.404 -0.000) 6.404 22.550 ( 0.000 4.561 0.000) 4.561 22.967 ( 0.000 4.582 0.000) 4.582 23.073 ( 0.000 3.241 0.000) 3.241 23.549 ( -0.000 -4.063 -0.000) 4.063 ======================= Grid point 23 (16/86) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 20.205 0.000 1.932) 20.297 0.796 ( 22.696 0.000 4.520) 23.141 1.197 ( 8.242 0.000 -7.270) 10.990 1.265 ( 14.427 0.000 -1.732) 14.531 1.416 ( 39.404 0.000 -0.014) 39.404 1.825 ( 14.226 0.000 9.001) 16.835 1.887 ( 8.853 0.000 0.449) 8.864 2.055 ( 5.378 0.000 0.300) 5.386 2.142 ( 5.658 0.000 0.243) 5.663 2.282 ( 7.759 0.000 -7.373) 10.704 2.506 ( 5.768 0.000 -7.786) 9.690 2.522 ( -6.370 -0.000 -0.269) 6.376 2.602 ( 0.278 0.000 4.016) 4.025 2.682 ( 4.661 0.000 1.587) 4.924 2.934 ( -12.616 -0.000 6.105) 14.015 2.962 ( -1.365 -0.000 0.704) 1.536 3.188 ( -2.004 -0.000 -0.619) 2.098 3.212 ( -5.326 -0.000 1.530) 5.542 3.305 ( 1.424 0.000 0.204) 1.439 3.455 ( -3.845 -0.000 1.142) 4.011 3.501 ( 1.177 0.000 -4.281) 4.440 3.550 ( 2.330 0.000 -4.139) 4.750 3.689 ( -0.843 -0.000 2.893) 3.013 3.796 ( 1.807 0.000 -3.556) 3.988 3.821 ( 2.657 0.000 0.642) 2.733 3.980 ( -15.645 -0.000 5.678) 16.644 4.195 ( -0.624 -0.000 -7.766) 7.791 4.210 ( -6.513 -0.000 0.989) 6.588 4.353 ( -5.274 -0.000 3.078) 6.107 4.473 ( -10.474 -0.000 1.460) 10.575 4.630 ( -6.858 -0.000 4.567) 8.240 4.633 ( -2.918 -0.000 0.372) 2.942 4.814 ( -1.505 -0.000 -0.195) 1.518 4.848 ( 1.733 0.000 -9.510) 9.667 4.879 ( 0.158 0.000 -1.327) 1.336 4.927 ( -5.616 -0.000 -2.031) 5.972 4.986 ( 0.499 0.000 2.372) 2.424 5.280 ( -8.152 -0.000 -2.114) 8.422 5.305 ( -10.215 -0.000 2.087) 10.426 5.513 ( -1.698 -0.000 3.979) 4.327 5.514 ( -0.162 -0.000 0.778) 0.795 5.672 ( 0.315 0.000 -3.191) 3.206 5.875 ( 1.777 0.000 -3.555) 3.975 5.918 ( -2.046 -0.000 1.497) 2.535 6.161 ( 7.219 0.000 0.027) 7.219 6.378 ( 5.174 0.000 3.953) 6.511 6.462 ( 5.186 0.000 0.515) 5.212 6.482 ( 11.745 0.000 -1.210) 11.807 6.782 ( 17.597 0.000 -6.893) 18.898 6.915 ( 0.802 0.000 -4.303) 4.377 7.194 ( -0.857 -0.000 4.369) 4.452 7.515 ( -4.942 -0.000 2.143) 5.386 7.533 ( -6.765 -0.000 -6.258) 9.216 7.648 ( -6.396 -0.000 6.294) 8.974 7.969 ( -2.824 -0.000 1.201) 3.069 8.026 ( -10.280 -0.000 4.964) 11.416 8.252 ( 3.964 0.000 -3.470) 5.269 8.300 ( -1.558 -0.000 -8.919) 9.054 8.592 ( 5.024 0.000 11.655) 12.692 8.687 ( 2.008 0.000 0.542) 2.080 8.999 ( 13.159 0.000 -6.561) 14.704 9.165 ( -9.907 -0.000 6.587) 11.897 9.488 ( 5.089 0.000 -19.387) 20.044 9.651 ( -5.375 -0.000 5.974) 8.036 9.964 ( -9.636 -0.000 -0.142) 9.637 9.972 ( -0.841 -0.000 -3.874) 3.964 10.127 ( 1.237 0.000 -4.210) 4.388 10.223 ( -1.684 -0.000 4.524) 4.828 10.444 ( 6.431 0.000 1.474) 6.598 10.759 ( 7.027 0.000 -4.297) 8.237 10.787 ( -6.492 -0.000 3.569) 7.408 10.972 ( 4.279 0.000 2.287) 4.852 10.982 ( 1.631 0.000 2.605) 3.073 11.080 ( 0.565 0.000 -0.582) 0.811 11.408 ( 7.096 0.000 -1.597) 7.274 11.611 ( -5.627 -0.000 0.643) 5.664 11.833 ( 14.287 0.000 0.110) 14.287 12.193 ( 8.571 0.000 -6.059) 10.497 12.656 ( -3.594 -0.000 -0.384) 3.615 12.671 ( -3.755 -0.000 0.200) 3.761 16.490 ( -5.782 -0.000 -21.577) 22.338 16.621 ( -16.922 -0.000 11.678) 20.561 17.913 ( 8.059 0.000 1.734) 8.244 17.935 ( 8.769 0.000 -1.896) 8.972 18.248 ( 7.572 0.000 -0.061) 7.572 18.360 ( 2.620 0.000 -2.518) 3.634 19.116 ( -5.097 -0.000 -1.440) 5.296 19.156 ( -11.326 -0.000 1.725) 11.457 19.428 ( 0.018 0.000 2.226) 2.226 19.464 ( -2.893 -0.000 -3.081) 4.226 19.886 ( 3.677 0.000 -2.515) 4.455 20.310 ( 14.741 0.000 13.244) 19.817 20.571 ( 18.823 0.000 1.560) 18.887 21.060 ( 14.666 0.000 -46.812) 49.056 21.711 ( -1.236 -0.000 0.701) 1.421 21.813 ( 1.420 0.000 2.845) 3.180 21.907 ( -8.018 -0.000 22.721) 24.094 22.201 ( 0.877 0.000 -2.395) 2.550 22.440 ( -0.167 -0.000 -1.354) 1.364 22.628 ( -6.850 -0.000 3.120) 7.527 22.737 ( -3.056 -0.000 1.045) 3.229 22.860 ( -7.000 -0.000 -0.784) 7.044 ======================= Grid point 24 (17/86) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 17.914 -6.676 1.697) 19.192 1.037 ( 18.762 -6.046 4.445) 20.207 1.202 ( 7.634 4.149 0.535) 8.705 1.446 ( 15.407 -4.212 -6.256) 17.153 1.744 ( 24.954 -3.560 -1.820) 25.272 1.845 ( 7.915 4.471 0.358) 9.098 2.007 ( 8.290 -1.893 4.003) 9.399 2.079 ( 12.187 -0.890 -3.908) 12.829 2.262 ( 9.113 -4.960 1.938) 10.555 2.370 ( 0.497 -0.590 -0.008) 0.771 2.432 ( -1.452 -5.943 -2.749) 6.707 2.577 ( -0.654 0.645 1.640) 1.880 2.680 ( 7.251 -5.478 -4.540) 10.158 2.744 ( -0.451 -1.535 4.604) 4.874 2.851 ( -0.560 -1.109 1.322) 1.814 2.997 ( -4.102 -1.796 1.743) 4.805 3.103 ( -3.910 3.588 3.942) 6.611 3.169 ( 0.694 2.808 -2.475) 3.807 3.328 ( -5.132 -2.840 3.286) 6.723 3.434 ( 0.292 0.184 -4.042) 4.056 3.473 ( 0.344 3.133 -3.244) 4.523 3.567 ( -1.912 -1.655 -0.745) 2.636 3.666 ( -2.042 2.704 2.302) 4.096 3.712 ( -1.917 6.931 -3.617) 8.050 3.836 ( -6.499 2.147 5.113) 8.544 3.934 ( -1.921 -4.113 0.072) 4.540 4.060 ( -7.634 4.251 -0.862) 8.780 4.215 ( -6.123 1.597 1.033) 6.411 4.269 ( -1.377 2.143 -4.085) 4.814 4.360 ( -4.479 2.242 1.765) 5.311 4.567 ( -6.043 1.452 3.499) 7.132 4.672 ( -5.722 -4.058 -1.866) 7.259 4.760 ( -1.938 2.635 -0.851) 3.380 4.850 ( -1.163 -1.027 -1.151) 1.932 4.883 ( 0.025 -1.246 -1.901) 2.273 4.905 ( -5.691 1.751 4.874) 7.695 4.989 ( 4.497 -1.779 -6.712) 8.273 5.200 ( -9.592 -0.214 0.509) 9.608 5.267 ( -11.304 -4.244 1.769) 12.203 5.425 ( 1.028 4.780 1.365) 5.076 5.614 ( 3.176 -4.865 0.600) 5.841 5.706 ( -1.344 -3.193 -0.977) 3.599 5.886 ( 1.488 -0.164 -1.663) 2.238 5.908 ( -0.509 -0.311 0.429) 0.735 6.228 ( 7.535 -0.464 -0.911) 7.604 6.377 ( -0.039 1.142 4.014) 4.174 6.503 ( 11.475 1.350 -1.225) 11.619 6.617 ( 4.295 -2.976 2.713) 5.887 6.804 ( 9.908 7.092 -5.796) 13.493 6.980 ( 5.066 -4.229 -5.668) 8.699 7.188 ( -0.320 1.727 4.614) 4.937 7.357 ( -1.961 11.656 1.359) 11.897 7.433 ( -7.427 2.276 -3.034) 8.340 7.659 ( -2.863 -3.487 3.801) 5.899 7.912 ( -5.500 0.900 -0.001) 5.574 8.004 ( -4.129 -0.974 2.372) 4.861 8.196 ( -2.511 3.324 -2.101) 4.665 8.317 ( 0.609 -1.721 -5.490) 5.786 8.644 ( 1.221 4.219 -1.362) 4.598 8.676 ( 4.170 0.196 10.431) 11.236 8.890 ( -1.474 17.194 0.326) 17.260 9.084 ( 13.682 0.287 -6.093) 14.980 9.452 ( 4.327 1.693 -6.100) 7.668 9.646 ( -8.252 0.605 7.013) 10.846 9.857 ( -8.322 1.036 0.323) 8.393 10.002 ( -1.803 -2.474 -6.344) 7.044 10.140 ( -0.290 -1.000 -0.396) 1.114 10.254 ( 0.243 -1.903 3.028) 3.584 10.500 ( 5.327 -0.844 2.170) 5.814 10.704 ( -2.635 1.988 -1.430) 3.597 10.847 ( 4.355 -2.671 -1.522) 5.331 10.948 ( 1.809 4.168 -2.099) 5.005 11.054 ( 3.242 -2.032 3.130) 4.943 11.116 ( -0.205 -3.439 2.138) 4.055 11.458 ( 4.802 -1.231 -0.812) 5.024 11.573 ( -2.927 0.161 -0.227) 2.940 11.831 ( 12.369 11.469 0.219) 16.870 12.058 ( 14.083 15.927 -1.917) 21.347 12.576 ( -6.896 2.513 -0.129) 7.341 12.653 ( -3.559 2.098 -0.012) 4.131 16.344 ( -5.128 3.498 -7.843) 10.002 16.501 ( -14.063 2.453 5.229) 15.203 17.912 ( 7.490 3.400 0.201) 8.228 18.067 ( 8.401 -3.656 -0.369) 9.169 18.146 ( 8.898 1.207 0.034) 8.980 18.709 ( -3.585 -16.301 -0.661) 16.703 19.046 ( -7.136 1.389 -0.641) 7.298 19.070 ( -8.369 1.912 0.411) 8.594 19.331 ( -1.886 8.063 -0.378) 8.290 19.461 ( -0.752 -1.114 2.361) 2.717 19.883 ( 1.429 1.710 -5.851) 6.261 20.367 ( 14.273 6.120 8.503) 17.705 20.658 ( 20.827 14.784 2.107) 25.628 20.922 ( 10.931 2.154 -17.954) 21.130 21.578 ( -0.371 2.466 6.205) 6.687 21.764 ( 3.734 1.191 -2.116) 4.454 22.051 ( -5.680 3.485 2.728) 7.201 22.210 ( -3.044 -0.372 2.843) 4.182 22.486 ( 0.790 -4.627 -2.387) 5.266 22.720 ( -7.516 -11.657 -0.946) 13.902 22.809 ( -7.676 -10.057 1.401) 12.728 22.861 ( -7.435 -5.957 -0.035) 9.527 ======================= Grid point 25 (18/86) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 10.396 -8.265 3.212) 13.664 1.171 ( 6.795 2.521 3.896) 8.229 1.335 ( 14.154 -8.805 2.889) 16.918 1.577 ( 17.575 2.297 -10.910) 20.813 1.832 ( 2.305 0.838 -5.471) 5.995 1.908 ( 8.795 -2.521 0.592) 9.169 2.107 ( 5.906 -4.225 -0.793) 7.305 2.240 ( 3.826 -0.610 0.852) 3.967 2.373 ( 3.916 -4.040 5.217) 7.673 2.449 ( 1.461 -4.647 4.427) 6.583 2.530 ( 0.732 2.846 1.935) 3.518 2.582 ( 2.640 -6.179 -3.292) 7.482 2.795 ( -1.885 -7.619 1.530) 7.996 2.846 ( 6.653 -5.336 -1.934) 8.745 2.920 ( -0.111 0.802 3.485) 3.577 2.944 ( -1.111 0.247 0.790) 1.385 3.066 ( 2.817 0.891 -2.402) 3.808 3.133 ( 4.072 2.027 -0.896) 4.636 3.351 ( -5.581 -3.208 1.784) 6.680 3.384 ( -0.786 3.241 -2.881) 4.407 3.423 ( -1.887 -0.947 -4.489) 4.960 3.521 ( -3.208 7.198 1.620) 8.045 3.591 ( -1.444 1.577 3.519) 4.118 3.655 ( 5.363 -2.148 -5.665) 8.091 3.724 ( -5.545 3.955 4.106) 7.953 3.879 ( -5.631 4.336 -0.259) 7.111 4.017 ( -5.871 -0.182 1.301) 6.016 4.082 ( -4.892 3.158 -1.044) 5.916 4.189 ( -6.342 4.086 0.046) 7.544 4.361 ( -3.743 -2.119 2.588) 5.020 4.515 ( -3.922 -0.069 1.626) 4.247 4.645 ( -2.029 0.949 -3.751) 4.369 4.748 ( -0.492 -1.991 -3.751) 4.275 4.779 ( -7.137 1.619 4.722) 8.709 4.892 ( -3.041 -0.636 -1.621) 3.504 4.925 ( 0.067 -3.132 -1.864) 3.645 5.064 ( 6.292 -1.958 -1.434) 6.744 5.154 ( -6.637 -2.955 1.354) 7.391 5.299 ( -6.059 -5.123 2.020) 8.188 5.368 ( 0.077 1.925 -0.640) 2.030 5.718 ( 0.405 -1.771 0.428) 1.866 5.743 ( -1.362 -3.414 -0.419) 3.699 5.897 ( 1.090 -0.651 1.622) 2.060 5.940 ( 4.292 -1.277 -1.689) 4.786 6.276 ( 7.022 1.308 -0.561) 7.165 6.374 ( 1.425 1.079 1.898) 2.607 6.544 ( 7.048 3.164 0.646) 7.753 6.631 ( 1.148 5.678 1.894) 6.095 6.718 ( 3.012 2.589 -3.105) 5.042 6.977 ( -2.283 8.935 -1.439) 9.333 7.134 ( -1.050 5.984 2.171) 6.451 7.175 ( 2.751 3.291 -2.319) 4.876 7.376 ( -0.953 -1.601 -0.800) 2.027 7.703 ( -6.657 -2.351 2.347) 7.440 7.881 ( 5.324 1.474 -2.011) 5.879 7.977 ( -0.084 1.073 0.050) 1.077 8.158 ( -5.033 -2.227 1.019) 5.597 8.312 ( -3.096 1.021 -2.492) 4.103 8.502 ( -3.726 7.765 -3.350) 9.241 8.543 ( 0.081 13.832 7.855) 15.907 8.790 ( 7.556 -0.952 0.486) 7.631 9.176 ( 13.372 0.403 -5.532) 14.477 9.448 ( 2.010 0.938 -1.717) 2.805 9.547 ( -5.829 3.061 4.194) 7.806 9.827 ( -4.932 -2.459 3.056) 6.301 10.011 ( -1.000 -1.082 -5.645) 5.834 10.150 ( -1.435 -0.761 0.668) 1.756 10.272 ( -2.403 -0.195 2.414) 3.411 10.557 ( 4.844 0.357 1.323) 5.034 10.675 ( -2.007 -1.520 -2.288) 3.402 10.850 ( 0.729 6.440 0.225) 6.485 10.926 ( 5.485 -1.402 0.743) 5.709 11.063 ( 0.095 2.564 -3.625) 4.441 11.203 ( 2.326 -2.774 4.024) 5.412 11.531 ( 4.370 -2.110 0.629) 4.893 11.547 ( 8.778 6.231 -2.045) 10.957 11.694 ( 0.052 3.627 0.397) 3.649 11.850 ( 11.669 16.809 -0.005) 20.463 12.469 ( -7.376 2.862 -0.033) 7.912 12.532 ( -4.195 6.570 0.160) 7.797 16.262 ( -3.452 0.681 -3.369) 4.871 16.363 ( -8.730 2.857 2.904) 9.634 17.932 ( 5.156 -0.196 0.114) 5.161 18.177 ( 3.095 -2.504 -0.332) 3.995 18.272 ( 10.029 -4.914 0.125) 11.169 18.875 ( -2.666 -4.974 0.614) 5.677 18.923 ( -6.254 6.659 -0.655) 9.158 18.986 ( -6.464 -1.397 0.428) 6.627 19.134 ( -3.801 8.850 -3.112) 10.122 19.497 ( 0.174 -0.247 9.669) 9.674 19.826 ( -0.341 2.230 -10.183) 10.430 20.425 ( 16.862 1.790 2.229) 17.103 20.437 ( 11.450 17.001 0.251) 20.499 21.036 ( 4.462 -3.960 -0.916) 6.035 21.588 ( 0.007 -1.633 0.444) 1.693 21.778 ( 3.503 0.564 -0.648) 3.606 21.900 ( -3.388 6.487 0.111) 7.319 22.125 ( -3.429 5.803 2.080) 7.054 22.600 ( 2.598 -6.170 -1.638) 6.892 22.850 ( -3.954 -6.483 0.360) 7.602 22.926 ( -5.685 -7.373 0.525) 9.325 22.956 ( -10.437 -10.276 -0.549) 14.657 ======================= Grid point 26 (19/86) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 6.427 -4.494 -3.122) 8.442 1.321 ( 7.197 -5.064 2.097) 9.046 1.575 ( 7.365 -3.126 1.154) 8.084 1.632 ( 13.349 -0.405 -3.031) 13.695 1.836 ( -0.759 -1.622 -2.205) 2.841 2.019 ( 2.980 -3.287 0.595) 4.477 2.167 ( -2.470 5.869 5.937) 8.706 2.217 ( 1.264 -4.328 -0.822) 4.583 2.417 ( 0.941 5.719 -2.261) 6.221 2.479 ( -10.841 -3.048 6.147) 12.830 2.548 ( 3.039 -4.321 0.375) 5.295 2.711 ( 9.411 -1.174 -3.706) 10.183 2.848 ( -3.864 0.941 0.127) 3.979 2.929 ( -1.072 -3.879 0.619) 4.072 2.949 ( 5.987 -1.406 0.552) 6.174 2.997 ( 0.694 -1.236 -1.804) 2.294 3.079 ( 2.303 -0.091 -0.963) 2.498 3.178 ( 8.920 -2.381 1.060) 9.293 3.353 ( 0.904 1.264 -0.213) 1.568 3.372 ( -1.455 -1.724 -1.128) 2.522 3.396 ( -3.922 1.985 2.896) 5.264 3.420 ( -1.417 -0.148 -4.411) 4.636 3.573 ( -1.718 -2.496 -1.002) 3.191 3.640 ( -3.531 1.490 4.234) 5.711 3.743 ( 0.625 5.603 -0.907) 5.711 3.786 ( 2.608 -4.860 -3.435) 6.497 3.907 ( -2.622 3.856 0.573) 4.698 4.046 ( -4.935 2.750 -1.128) 5.761 4.081 ( -6.064 -3.080 2.038) 7.100 4.348 ( -6.105 -0.929 5.167) 8.051 4.483 ( -7.572 0.582 0.940) 7.652 4.634 ( -1.364 -1.563 -3.914) 4.430 4.755 ( 0.409 -2.015 2.146) 2.972 4.762 ( -3.770 -1.884 -2.283) 4.793 4.899 ( -3.854 -3.770 1.162) 5.515 4.971 ( 2.347 -1.108 -4.565) 5.251 5.145 ( 4.588 -3.053 -0.426) 5.527 5.230 ( 4.090 -3.725 1.165) 5.653 5.328 ( 2.283 1.358 0.698) 2.747 5.366 ( -5.901 -4.330 0.959) 7.382 5.697 ( -0.138 2.406 0.535) 2.468 5.790 ( -4.802 -3.078 -0.076) 5.704 5.917 ( 1.862 1.292 -0.531) 2.328 6.009 ( 3.620 -2.605 -0.720) 4.518 6.274 ( 4.539 6.324 -1.714) 7.970 6.323 ( 3.572 7.390 5.800) 10.050 6.437 ( -2.766 3.928 0.620) 4.845 6.595 ( 4.145 1.752 -2.710) 5.254 6.708 ( -4.282 4.302 0.322) 6.079 6.725 ( 2.420 8.895 -1.715) 9.376 7.018 ( -2.584 4.157 0.223) 4.900 7.126 ( 0.733 3.126 -1.375) 3.493 7.428 ( 0.469 -1.341 1.360) 1.967 7.637 ( -8.606 2.214 0.407) 8.896 7.918 ( 12.907 2.699 -3.432) 13.625 7.989 ( -2.076 -2.096 3.855) 4.854 8.096 ( -7.326 11.514 0.671) 13.663 8.201 ( -1.472 -2.167 -3.563) 4.423 8.374 ( -0.594 0.572 0.520) 0.975 8.453 ( 2.590 0.978 2.213) 3.544 8.862 ( 6.316 -0.327 1.041) 6.409 9.220 ( 6.858 3.240 -3.706) 8.442 9.428 ( 2.119 1.482 0.675) 2.672 9.522 ( -1.112 -1.979 0.309) 2.291 9.856 ( -4.443 -3.010 3.529) 6.423 10.002 ( -0.284 0.204 -4.132) 4.147 10.155 ( -1.723 -1.201 0.665) 2.203 10.245 ( -5.199 -0.050 1.773) 5.494 10.562 ( 6.643 3.564 -2.500) 7.942 10.663 ( -0.938 3.525 -0.082) 3.649 10.768 ( -0.422 0.951 2.615) 2.814 10.938 ( -4.784 4.810 0.345) 6.793 10.991 ( 6.199 1.642 -1.650) 6.621 11.230 ( 6.827 5.755 0.735) 8.959 11.453 ( 7.562 6.841 -0.142) 10.199 11.603 ( 0.576 6.551 -0.237) 6.581 11.639 ( 5.374 0.961 -0.262) 5.465 11.754 ( 0.271 -5.997 0.231) 6.008 12.321 ( -6.163 6.915 -0.600) 9.282 12.398 ( -3.825 3.526 0.796) 5.263 16.230 ( -1.650 0.396 -2.720) 3.206 16.282 ( -4.694 0.498 2.611) 5.394 17.995 ( 3.830 -2.510 0.103) 4.581 18.213 ( -1.911 -1.406 -0.449) 2.415 18.434 ( 8.815 -2.708 0.292) 9.226 18.751 ( -2.665 7.057 1.234) 7.644 18.911 ( -0.305 -1.235 1.873) 2.265 18.931 ( -2.615 4.941 -4.890) 7.427 19.043 ( -5.204 -5.911 -0.517) 7.893 19.479 ( -0.163 4.375 9.227) 10.212 19.755 ( -1.987 2.478 -8.430) 9.008 20.185 ( 8.567 17.574 -0.325) 19.553 20.595 ( 11.604 -5.984 1.737) 13.171 21.089 ( -3.652 -2.126 -0.022) 4.226 21.624 ( 0.141 -1.910 -1.165) 2.242 21.760 ( 0.364 3.386 1.576) 3.752 21.805 ( 1.283 2.570 -0.642) 2.943 21.984 ( -2.378 6.180 0.591) 6.648 22.739 ( 3.417 -5.936 -1.394) 6.990 22.908 ( -3.227 -2.617 1.232) 4.333 23.014 ( -4.816 -5.885 0.810) 7.648 23.062 ( -5.056 -7.816 -1.073) 9.370 ======================= Grid point 27 (20/86) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 7.293 4.993 -6.016) 10.692 1.484 ( 6.662 -6.533 -2.435) 9.643 1.625 ( -0.871 -1.501 0.383) 1.778 1.728 ( -0.283 -0.240 9.669) 9.676 1.813 ( -1.299 3.531 0.281) 3.773 2.044 ( 2.541 6.199 3.310) 7.473 2.099 ( -0.707 -1.875 -1.535) 2.524 2.285 ( 0.181 7.396 -3.406) 8.145 2.304 ( -1.116 -6.796 -1.434) 7.035 2.476 ( -9.489 -4.913 2.363) 10.944 2.636 ( 6.241 -2.973 -0.956) 6.979 2.753 ( 0.062 4.561 0.865) 4.643 2.842 ( 1.005 -3.159 -0.757) 3.400 2.915 ( -1.693 3.457 1.279) 4.056 2.961 ( 1.395 -0.096 0.918) 1.673 3.049 ( 4.167 -2.743 -3.969) 6.375 3.098 ( 0.268 1.167 -1.546) 1.956 3.182 ( -1.203 10.884 1.770) 11.093 3.315 ( 2.220 0.702 -0.656) 2.419 3.351 ( 0.162 -2.094 1.015) 2.333 3.396 ( -2.386 -1.326 2.738) 3.866 3.489 ( 4.727 -3.994 -4.695) 7.768 3.571 ( -5.721 -0.658 0.169) 5.761 3.605 ( -1.837 1.482 2.739) 3.616 3.756 ( 3.469 -7.133 -1.351) 8.046 3.844 ( -1.918 1.902 -0.622) 2.771 3.928 ( 4.951 -5.277 -2.815) 7.764 3.980 ( -6.959 -2.363 1.253) 7.455 4.135 ( 0.020 -3.578 1.488) 3.875 4.350 ( -4.459 -0.639 3.124) 5.482 4.406 ( -5.737 -1.457 0.654) 5.955 4.664 ( -4.392 -3.815 1.517) 6.012 4.752 ( 1.742 -1.947 -7.070) 7.537 4.874 ( 3.897 -3.926 7.497) 9.317 4.944 ( -0.059 -0.898 -2.993) 3.125 4.988 ( -0.986 -2.726 -2.407) 3.768 5.230 ( 3.887 -1.910 -2.661) 5.083 5.293 ( 0.407 -0.579 -0.555) 0.899 5.370 ( 8.061 -0.766 3.236) 8.720 5.382 ( -3.897 -1.011 1.208) 4.203 5.655 ( 2.300 2.728 0.440) 3.595 5.791 ( -5.224 -1.002 1.183) 5.449 5.859 ( -4.174 2.555 -2.753) 5.615 6.049 ( 1.593 6.056 -1.784) 6.511 6.071 ( -3.700 5.282 3.127) 7.167 6.256 ( 4.344 7.268 2.348) 8.787 6.366 ( -1.224 4.407 0.155) 4.576 6.500 ( -0.319 5.749 0.328) 5.767 6.551 ( -0.451 3.658 -5.113) 6.303 6.723 ( -1.020 0.111 1.970) 2.221 6.969 ( -0.106 -0.903 0.926) 1.298 7.094 ( 3.805 1.142 -2.792) 4.856 7.408 ( -5.431 1.256 2.019) 5.928 7.502 ( -7.183 4.837 -0.212) 8.663 7.786 ( -2.473 11.663 1.527) 12.020 7.993 ( 9.616 -2.271 -6.474) 11.812 8.069 ( -2.584 -3.608 6.528) 7.894 8.253 ( 0.481 -3.515 -4.108) 5.428 8.415 ( 4.328 -2.165 1.080) 4.959 8.489 ( 2.042 -1.375 1.682) 2.981 8.901 ( 5.884 1.564 1.169) 6.200 9.160 ( 0.152 4.212 -2.137) 4.725 9.433 ( 2.183 1.012 1.171) 2.676 9.558 ( 0.343 -1.322 -1.265) 1.861 9.870 ( -4.630 -1.364 2.419) 5.399 9.983 ( 0.512 1.061 -3.070) 3.289 10.173 ( -4.254 -2.624 1.868) 5.336 10.229 ( -2.378 -2.265 0.237) 3.293 10.485 ( 3.657 7.416 -2.776) 8.722 10.614 ( 2.763 1.918 1.606) 3.727 10.738 ( -1.111 2.507 1.365) 3.063 10.855 ( -6.112 -2.081 -0.231) 6.460 10.999 ( 3.796 2.081 1.222) 4.498 11.084 ( 7.227 13.473 -2.256) 15.454 11.420 ( 1.214 1.735 1.173) 2.421 11.457 ( 1.173 6.138 -0.822) 6.303 11.727 ( 2.096 -2.932 -0.252) 3.613 11.873 ( -0.632 -4.697 0.336) 4.752 12.165 ( -1.773 4.154 -0.861) 4.598 12.333 ( -3.004 0.244 0.836) 3.128 16.204 ( -1.075 0.545 -0.673) 1.380 16.275 ( -1.306 -1.351 0.622) 1.979 18.084 ( 3.746 -3.571 0.050) 5.176 18.226 ( -3.569 -2.916 -0.342) 4.622 18.476 ( 3.016 2.870 0.877) 4.255 18.613 ( -1.152 6.331 -0.205) 6.439 18.874 ( -0.258 -1.219 -2.248) 2.571 18.977 ( 4.144 -4.057 0.847) 5.861 19.142 ( -2.490 -6.873 0.217) 7.313 19.388 ( -1.465 5.589 3.365) 6.686 19.653 ( -3.585 4.493 -3.142) 6.551 19.896 ( 1.984 16.886 0.180) 17.003 20.811 ( 10.416 -6.369 0.619) 12.224 21.100 ( -6.142 -3.718 -0.252) 7.184 21.651 ( -0.094 -0.954 -0.677) 1.173 21.692 ( -0.024 4.129 0.542) 4.164 21.770 ( 0.794 1.952 -0.497) 2.165 21.880 ( -0.614 3.271 0.781) 3.418 22.861 ( 2.365 -4.524 -1.474) 5.313 22.908 ( -1.876 0.625 0.951) 2.194 23.080 ( -2.885 -4.131 1.077) 5.152 23.170 ( -1.031 -6.240 -0.709) 6.364 ======================= Grid point 28 (21/86) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 3.387 6.561 -1.393) 7.514 1.479 ( -0.215 13.119 2.612) 13.379 1.559 ( -1.717 6.952 -3.106) 7.805 1.720 ( 0.792 5.275 0.490) 5.356 1.798 ( -1.939 -8.864 3.363) 9.677 1.913 ( 1.367 7.816 -0.255) 7.938 2.137 ( -1.081 4.304 0.450) 4.460 2.193 ( -1.479 -5.903 -1.400) 6.245 2.435 ( 0.655 -5.718 -1.862) 6.049 2.479 ( -0.957 8.785 -0.145) 8.838 2.619 ( -6.534 -5.320 1.692) 8.594 2.681 ( 2.351 12.081 0.674) 12.326 2.847 ( 0.915 1.782 1.112) 2.291 2.871 ( -2.645 -0.805 -0.705) 2.853 2.983 ( 2.365 0.318 -0.980) 2.579 3.018 ( 0.832 0.679 1.485) 1.833 3.042 ( -2.105 0.899 -1.652) 2.823 3.181 ( 3.981 -6.299 -2.143) 7.753 3.291 ( 0.041 0.936 0.166) 0.952 3.382 ( -1.249 -0.174 1.988) 2.355 3.455 ( 4.183 -2.101 -0.307) 4.691 3.508 ( 5.457 4.221 -2.202) 7.242 3.583 ( -5.046 -2.802 3.209) 6.604 3.598 ( -3.015 -3.246 -1.310) 4.620 3.759 ( -1.350 4.179 0.017) 4.391 3.886 ( 4.267 -0.827 -1.187) 4.506 4.006 ( -5.087 -6.725 3.557) 9.152 4.105 ( 5.149 -7.027 -4.733) 9.914 4.214 ( -1.972 -4.189 3.375) 5.730 4.296 ( -6.104 -2.133 -0.653) 6.499 4.498 ( 4.094 -5.510 0.314) 6.872 4.686 ( -4.081 -1.741 1.159) 4.586 4.834 ( 4.928 -3.717 -3.099) 6.907 4.901 ( 4.267 4.066 -3.602) 6.908 4.956 ( -0.246 1.262 5.233) 5.388 5.059 ( -3.826 -5.757 0.555) 6.935 5.246 ( 3.537 1.885 -3.299) 5.191 5.300 ( -3.521 0.310 2.344) 4.241 5.348 ( -3.114 -2.068 -0.533) 3.776 5.441 ( 9.968 3.902 0.783) 10.733 5.628 ( 1.600 1.474 0.090) 2.178 5.733 ( -6.450 0.080 0.876) 6.509 5.815 ( -3.832 -0.684 -2.159) 4.452 5.885 ( 1.240 5.944 1.608) 6.282 6.007 ( -4.793 3.019 -0.704) 5.708 6.093 ( -0.233 8.426 0.383) 8.438 6.326 ( 3.916 1.775 2.317) 4.884 6.432 ( -5.939 2.735 -1.248) 6.656 6.472 ( 0.424 1.144 -1.451) 1.896 6.682 ( -0.429 3.701 0.562) 3.768 7.055 ( 2.647 -5.879 -0.041) 6.448 7.113 ( 1.046 -0.626 -1.236) 1.736 7.336 ( -0.250 3.827 -0.307) 3.848 7.400 ( -7.407 -2.909 0.932) 8.012 7.637 ( -0.471 3.772 1.716) 4.170 8.093 ( 6.546 -2.180 -14.728) 16.264 8.112 ( -3.490 -2.055 13.109) 13.720 8.333 ( 1.842 -4.588 -0.857) 5.018 8.492 ( 4.070 -1.704 0.336) 4.425 8.523 ( 1.024 -0.392 0.844) 1.384 8.897 ( 4.248 3.532 0.146) 5.526 9.071 ( -2.545 3.830 -0.147) 4.601 9.421 ( 2.000 1.716 0.170) 2.641 9.538 ( -1.904 3.000 -0.092) 3.554 9.855 ( -3.133 -0.696 1.203) 3.428 9.966 ( 1.485 0.552 -2.380) 2.859 10.214 ( -4.947 -5.723 1.883) 7.795 10.293 ( 2.194 -3.578 -0.663) 4.249 10.389 ( 0.141 3.365 -0.354) 3.386 10.598 ( -1.507 -0.185 0.562) 1.619 10.741 ( 5.674 0.379 -0.975) 5.769 10.830 ( -3.916 2.926 2.157) 5.343 10.903 ( 0.759 5.299 -2.173) 5.778 10.997 ( 1.350 0.036 0.707) 1.524 11.354 ( 0.714 5.364 -0.573) 5.442 11.395 ( -0.493 1.928 0.422) 2.035 11.740 ( 0.264 2.786 0.261) 2.811 11.877 ( -1.385 1.925 -0.166) 2.377 12.186 ( 1.220 -5.380 -0.508) 5.540 12.363 ( -0.735 -4.727 0.488) 4.808 16.193 ( -0.654 -0.039 0.240) 0.698 16.305 ( 0.136 -2.160 -0.273) 2.181 18.185 ( 5.476 -3.122 -0.107) 6.304 18.268 ( -4.003 -4.066 0.180) 5.709 18.416 ( -0.520 3.827 0.826) 3.950 18.494 ( -1.051 5.001 -1.159) 5.240 18.932 ( 0.615 -4.699 0.377) 4.754 19.124 ( 8.518 -5.376 0.377) 10.080 19.243 ( 0.127 -2.105 -1.003) 2.336 19.279 ( -4.201 1.108 0.622) 4.389 19.528 ( -3.432 4.980 -0.603) 6.078 19.602 ( -3.623 12.431 0.488) 12.957 20.967 ( 9.828 -0.872 0.119) 9.868 21.113 ( -6.727 -1.471 -0.102) 6.887 21.619 ( -0.745 1.598 -0.179) 1.772 21.662 ( 0.124 0.013 0.376) 0.397 21.746 ( 0.001 1.268 -0.430) 1.338 21.863 ( 0.280 -1.991 0.248) 2.026 22.850 ( -0.712 3.818 0.312) 3.896 22.953 ( 0.839 -3.578 -0.723) 3.745 23.127 ( -0.766 -1.997 0.590) 2.219 23.277 ( 0.574 -5.326 -0.185) 5.360 ======================= Grid point 29 (22/86) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 0.000 3.898 0.000) 3.898 1.147 ( 0.000 18.160 0.000) 18.160 1.369 ( 0.000 11.016 0.000) 11.016 1.578 ( 0.000 9.104 0.000) 9.104 1.796 ( 0.000 4.761 0.000) 4.761 1.972 ( -0.000 -3.460 -0.000) 3.460 2.054 ( -0.000 -0.485 -0.000) 0.485 2.155 ( 0.000 15.211 0.000) 15.211 2.345 ( -0.000 -2.752 -0.000) 2.752 2.347 ( 0.000 18.518 0.000) 18.518 2.549 ( -0.000 -5.054 -0.000) 5.054 2.710 ( 0.000 3.126 0.000) 3.126 2.782 ( 0.000 6.896 0.000) 6.896 2.825 ( -0.000 -1.794 -0.000) 1.794 2.977 ( -0.000 -1.804 -0.000) 1.804 3.015 ( -0.000 -0.505 -0.000) 0.505 3.170 ( -0.000 -8.691 -0.000) 8.691 3.231 ( 0.000 4.232 0.000) 4.232 3.329 ( 0.000 1.993 0.000) 1.993 3.382 ( -0.000 -3.146 -0.000) 3.146 3.412 ( -0.000 -1.961 -0.000) 1.961 3.568 ( -0.000 -1.747 -0.000) 1.747 3.595 ( -0.000 -1.572 -0.000) 1.572 3.649 ( -0.000 -3.067 -0.000) 3.067 3.703 ( -0.000 -0.081 -0.000) 0.081 3.889 ( -0.000 -0.452 -0.000) 0.452 4.116 ( -0.000 -5.210 -0.000) 5.210 4.228 ( -0.000 -1.146 -0.000) 1.146 4.231 ( -0.000 -3.591 -0.000) 3.591 4.401 ( -0.000 -7.535 -0.000) 7.535 4.623 ( -0.000 -3.578 -0.000) 3.578 4.663 ( 0.000 1.494 0.000) 1.494 4.827 ( 0.000 4.383 0.000) 4.383 4.846 ( 0.000 8.395 0.000) 8.395 4.918 ( -0.000 -1.775 -0.000) 1.775 5.091 ( 0.000 1.319 0.000) 1.319 5.240 ( 0.000 1.634 0.000) 1.634 5.325 ( -0.000 -6.068 -0.000) 6.068 5.347 ( 0.000 2.675 0.000) 2.675 5.409 ( -0.000 -0.227 -0.000) 0.227 5.646 ( -0.000 -1.463 -0.000) 1.463 5.751 ( 0.000 3.449 0.000) 3.449 5.752 ( -0.000 -4.003 -0.000) 4.003 5.873 ( -0.000 -1.188 -0.000) 1.188 5.922 ( 0.000 0.531 0.000) 0.531 6.010 ( 0.000 1.579 0.000) 1.579 6.320 ( 0.000 3.504 0.000) 3.504 6.334 ( 0.000 1.403 0.000) 1.403 6.492 ( -0.000 -2.845 -0.000) 2.845 6.602 ( 0.000 3.694 0.000) 3.694 7.095 ( 0.000 0.991 0.000) 0.991 7.224 ( -0.000 -8.912 -0.000) 8.912 7.278 ( 0.000 1.707 0.000) 1.707 7.514 ( -0.000 -10.005 -0.000) 10.005 7.603 ( 0.000 0.261 0.000) 0.261 8.093 ( 0.000 1.178 0.000) 1.178 8.173 ( -0.000 -2.751 -0.000) 2.751 8.433 ( -0.000 -4.683 -0.000) 4.683 8.513 ( 0.000 1.926 0.000) 1.926 8.539 ( -0.000 -1.040 -0.000) 1.040 8.828 ( 0.000 4.973 0.000) 4.973 8.975 ( 0.000 5.620 0.000) 5.620 9.424 ( -0.000 -1.573 -0.000) 1.573 9.430 ( 0.000 6.148 0.000) 6.148 9.883 ( -0.000 -3.653 -0.000) 3.653 9.974 ( -0.000 -0.656 -0.000) 0.656 10.316 ( -0.000 -5.843 -0.000) 5.843 10.353 ( 0.000 0.330 0.000) 0.330 10.374 ( -0.000 -3.835 -0.000) 3.835 10.630 ( -0.000 -3.673 -0.000) 3.673 10.646 ( 0.000 7.786 0.000) 7.786 10.848 ( -0.000 -2.290 -0.000) 2.290 10.861 ( -0.000 -0.554 -0.000) 0.554 11.023 ( -0.000 -1.789 -0.000) 1.789 11.250 ( 0.000 5.387 0.000) 5.387 11.353 ( 0.000 2.274 0.000) 2.274 11.663 ( 0.000 4.282 0.000) 4.282 11.828 ( 0.000 2.421 0.000) 2.421 12.324 ( -0.000 -8.007 -0.000) 8.007 12.477 ( -0.000 -6.692 -0.000) 6.692 16.195 ( -0.000 -0.508 -0.000) 0.508 16.357 ( -0.000 -3.325 -0.000) 3.325 18.244 ( 0.000 4.994 0.000) 4.994 18.271 ( -0.000 -0.576 -0.000) 0.576 18.390 ( -0.000 -3.309 -0.000) 3.309 18.399 ( 0.000 4.496 0.000) 4.496 19.066 ( -0.000 -8.881 -0.000) 8.881 19.167 ( 0.000 3.538 0.000) 3.538 19.286 ( -0.000 -5.425 -0.000) 5.425 19.336 ( -0.000 -3.677 -0.000) 3.677 19.377 ( 0.000 7.437 0.000) 7.437 19.472 ( -0.000 -0.999 -0.000) 0.999 20.989 ( 0.000 9.528 0.000) 9.528 20.997 ( 0.000 3.872 0.000) 3.872 21.643 ( -0.000 -0.279 -0.000) 0.279 21.667 ( -0.000 -4.337 -0.000) 4.337 21.711 ( 0.000 2.062 0.000) 2.062 21.963 ( -0.000 -7.502 -0.000) 7.502 22.756 ( 0.000 5.532 0.000) 5.532 23.009 ( -0.000 -1.890 -0.000) 1.890 23.143 ( 0.000 0.098 0.000) 0.098 23.377 ( -0.000 -4.823 -0.000) 4.823 ======================= Grid point 34 (23/86) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 19.080 0.000 0.917) 19.102 1.146 ( 19.996 0.000 -0.306) 19.998 1.328 ( 9.932 0.000 -1.872) 10.107 1.503 ( 14.574 0.000 1.396) 14.641 1.892 ( 15.759 0.000 1.924) 15.876 1.940 ( 1.678 0.000 -3.272) 3.678 2.058 ( 3.955 0.000 4.950) 6.335 2.172 ( 8.464 0.000 1.035) 8.527 2.222 ( 6.521 0.000 1.459) 6.682 2.332 ( -2.166 -0.000 -4.218) 4.742 2.422 ( 7.515 0.000 -6.808) 10.140 2.599 ( 7.661 0.000 -9.212) 11.981 2.654 ( 0.797 0.000 4.174) 4.250 2.736 ( -1.012 -0.000 8.380) 8.441 2.871 ( 3.471 0.000 5.095) 6.165 2.953 ( -1.065 -0.000 -0.454) 1.158 3.119 ( -2.749 -0.000 -2.160) 3.496 3.166 ( -1.886 -0.000 2.070) 2.800 3.313 ( 0.838 0.000 1.891) 2.068 3.432 ( 1.108 0.000 -2.259) 2.516 3.471 ( -1.215 -0.000 -0.810) 1.460 3.554 ( 0.511 0.000 -4.687) 4.715 3.677 ( -12.590 -0.000 8.534) 15.210 3.783 ( -1.705 -0.000 -5.842) 6.085 3.810 ( 1.018 0.000 -1.406) 1.736 3.879 ( 3.773 0.000 2.530) 4.543 4.081 ( -11.147 -0.000 6.242) 12.775 4.134 ( -2.456 -0.000 -9.446) 9.760 4.314 ( -9.443 -0.000 1.198) 9.518 4.328 ( 0.008 0.000 1.269) 1.269 4.540 ( -5.763 -0.000 3.224) 6.604 4.559 ( -6.453 -0.000 -0.406) 6.466 4.783 ( -0.882 -0.000 -0.032) 0.883 4.783 ( -8.444 -0.000 4.093) 9.383 4.867 ( -2.170 -0.000 -1.807) 2.824 4.896 ( 3.967 0.000 -6.082) 7.262 5.014 ( 0.855 0.000 0.494) 0.987 5.108 ( -11.109 -0.000 0.823) 11.139 5.146 ( -10.251 -0.000 -0.501) 10.264 5.527 ( -0.286 -0.000 3.640) 3.651 5.553 ( 4.836 0.000 -1.325) 5.014 5.641 ( -2.909 -0.000 -2.083) 3.578 5.888 ( -3.003 -0.000 2.642) 4.000 5.906 ( 5.155 0.000 -3.889) 6.457 6.282 ( 8.395 0.000 -1.793) 8.584 6.389 ( -1.486 -0.000 6.063) 6.242 6.616 ( 10.259 0.000 -0.539) 10.273 6.618 ( 4.436 0.000 0.950) 4.536 6.931 ( 4.475 0.000 -5.705) 7.251 6.973 ( 9.109 0.000 -8.702) 12.598 7.235 ( 2.859 0.000 5.804) 6.470 7.379 ( -8.255 -0.000 -8.469) 11.827 7.437 ( -7.048 -0.000 6.369) 9.500 7.588 ( -5.085 -0.000 7.608) 9.151 7.915 ( -4.102 -0.000 2.819) 4.977 7.923 ( -3.250 -0.000 1.663) 3.651 8.206 ( -4.560 -0.000 -9.123) 10.199 8.313 ( 3.995 0.000 -0.905) 4.096 8.701 ( -0.381 -0.000 -1.778) 1.818 8.729 ( 5.594 0.000 8.153) 9.888 9.035 ( -8.463 -0.000 1.788) 8.650 9.168 ( 11.128 0.000 -5.142) 12.259 9.471 ( -0.260 -0.000 -5.375) 5.381 9.595 ( -5.785 -0.000 5.791) 8.185 9.796 ( -9.560 -0.000 1.968) 9.760 9.964 ( 3.126 0.000 -7.157) 7.810 10.128 ( -0.066 -0.000 0.159) 0.173 10.253 ( 2.028 0.000 3.151) 3.747 10.554 ( 6.399 0.000 1.217) 6.514 10.675 ( -6.901 -0.000 -0.874) 6.956 10.868 ( 8.486 0.000 -3.153) 9.053 11.005 ( 2.119 0.000 -1.616) 2.665 11.054 ( 1.684 0.000 6.684) 6.893 11.086 ( 0.900 0.000 -1.724) 1.945 11.465 ( 1.883 0.000 -1.287) 2.281 11.522 ( -6.309 -0.000 1.061) 6.398 12.082 ( 14.184 0.000 2.387) 14.383 12.293 ( 6.996 0.000 -4.348) 8.237 12.603 ( -2.560 -0.000 -0.309) 2.578 12.606 ( -4.551 -0.000 0.441) 4.573 16.307 ( -8.256 -0.000 -8.509) 11.856 16.404 ( -14.883 -0.000 6.648) 16.300 18.056 ( 8.580 0.000 0.697) 8.608 18.072 ( 8.910 0.000 -0.630) 8.933 18.355 ( 5.572 0.000 1.347) 5.733 18.392 ( 2.480 0.000 -1.813) 3.072 19.007 ( -8.385 -0.000 1.114) 8.459 19.015 ( -6.468 -0.000 -1.071) 6.556 19.398 ( -3.412 -0.000 -3.126) 4.627 19.464 ( 2.128 0.000 5.396) 5.800 19.893 ( -0.086 -0.000 -5.699) 5.700 20.585 ( 11.403 0.000 16.108) 19.735 20.853 ( 14.484 0.000 2.200) 14.650 21.080 ( 10.448 0.000 -33.597) 35.184 21.687 ( -2.568 -0.000 2.142) 3.344 21.867 ( 3.487 0.000 4.358) 5.581 21.886 ( -4.074 -0.000 11.028) 11.756 22.204 ( 1.285 0.000 -3.583) 3.806 22.424 ( -1.018 -0.000 -1.936) 2.188 22.536 ( -7.053 -0.000 4.689) 8.469 22.692 ( -3.037 -0.000 1.374) 3.334 22.735 ( -7.320 -0.000 -2.701) 7.803 ======================= Grid point 35 (24/86) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 11.354 -2.226 2.216) 11.781 1.308 ( 9.747 2.864 2.254) 10.406 1.362 ( 15.048 -2.051 -1.741) 15.286 1.651 ( 10.257 -3.205 0.295) 10.750 1.905 ( 4.539 3.527 -8.215) 10.026 1.965 ( 5.146 0.282 1.400) 5.341 2.079 ( 2.186 -1.184 0.785) 2.607 2.228 ( -1.925 -3.058 1.278) 3.833 2.302 ( -4.626 -3.929 1.237) 6.194 2.397 ( 6.488 -2.471 0.384) 6.953 2.503 ( 14.329 -3.180 -5.384) 15.634 2.613 ( 0.157 1.872 3.935) 4.360 2.698 ( 0.703 -2.664 4.160) 4.990 2.797 ( 2.823 -4.691 -0.482) 5.496 2.930 ( 5.611 -0.831 4.666) 7.345 2.941 ( -3.292 0.050 -0.963) 3.430 3.113 ( 7.989 0.695 -5.811) 9.903 3.155 ( -5.603 -0.964 0.860) 5.750 3.311 ( 4.568 1.830 3.259) 5.902 3.399 ( -1.947 1.416 -3.647) 4.370 3.459 ( -1.814 4.986 -3.067) 6.129 3.564 ( -3.183 -0.978 3.812) 5.062 3.611 ( 1.156 -3.394 0.497) 3.620 3.687 ( -1.020 5.605 -2.018) 6.043 3.774 ( -0.429 3.832 -0.009) 3.856 3.909 ( -8.214 4.464 2.475) 9.671 3.962 ( 0.405 -0.998 -1.071) 1.519 4.136 ( -4.627 1.383 -0.024) 4.829 4.187 ( -6.116 3.601 -0.916) 7.156 4.332 ( 0.225 -0.554 0.324) 0.680 4.487 ( -6.529 1.326 3.662) 7.602 4.553 ( -7.914 -3.770 -1.216) 8.850 4.690 ( -6.384 0.430 -0.487) 6.417 4.825 ( -2.906 0.998 3.114) 4.375 4.859 ( 1.356 -3.279 -1.818) 3.987 4.898 ( 0.409 4.006 -1.375) 4.255 5.015 ( -3.984 -5.574 -0.495) 6.869 5.064 ( -5.477 -0.488 -2.765) 6.154 5.117 ( -4.056 -5.820 1.071) 7.175 5.454 ( 1.355 4.697 2.005) 5.284 5.649 ( -3.605 -3.513 -2.039) 5.431 5.668 ( 1.722 -4.342 0.014) 4.671 5.872 ( -2.748 -0.901 3.561) 4.587 5.964 ( 7.100 -1.239 -3.826) 8.160 6.342 ( 7.927 0.229 -2.474) 8.308 6.396 ( 1.234 0.295 4.079) 4.271 6.626 ( 1.380 0.849 2.850) 3.278 6.687 ( 4.810 0.500 0.396) 4.852 6.882 ( 4.493 7.792 -5.588) 10.589 7.019 ( 1.651 -0.104 -4.726) 5.007 7.233 ( -1.884 2.059 2.698) 3.882 7.262 ( -3.238 5.110 -2.743) 6.642 7.363 ( -1.701 1.857 3.510) 4.320 7.601 ( -6.174 -2.693 3.821) 7.744 7.889 ( 1.032 -0.389 0.459) 1.195 7.963 ( -0.588 -3.335 0.979) 3.525 8.128 ( -3.851 1.767 -3.873) 5.740 8.324 ( 1.906 1.423 -0.534) 2.438 8.618 ( -2.409 6.735 -3.275) 7.867 8.769 ( -1.299 5.319 12.450) 13.601 8.860 ( 1.588 6.090 -6.609) 9.126 9.258 ( 9.788 -1.243 -4.297) 10.762 9.452 ( -1.179 0.162 -1.916) 2.256 9.558 ( -5.370 1.199 4.266) 6.962 9.751 ( -5.696 -1.519 3.413) 6.812 9.983 ( 2.649 -0.542 -6.573) 7.108 10.131 ( -1.402 -0.378 1.845) 2.347 10.277 ( 0.919 0.254 2.170) 2.371 10.594 ( 4.787 -0.106 1.312) 4.965 10.633 ( -3.416 -0.334 -2.140) 4.045 10.936 ( 6.034 -0.082 -1.050) 6.125 10.970 ( 1.144 3.341 -0.007) 3.531 11.088 ( 2.014 -0.162 -2.024) 2.860 11.141 ( 1.245 -4.534 3.032) 5.595 11.472 ( -2.289 -1.614 -0.281) 2.815 11.531 ( -1.666 -4.192 0.156) 4.513 12.029 ( 11.130 14.526 0.383) 18.304 12.251 ( 11.128 12.034 -0.795) 16.410 12.465 ( -6.869 3.947 -0.091) 7.923 12.593 ( -4.009 2.984 0.083) 4.998 16.223 ( -6.219 0.289 -3.103) 6.956 16.316 ( -10.863 -0.106 2.545) 11.158 18.041 ( 8.041 5.101 0.107) 9.523 18.169 ( 4.522 -1.418 -0.026) 4.739 18.304 ( 10.359 -0.219 0.001) 10.361 18.650 ( -3.886 -13.228 -0.038) 13.787 18.930 ( -6.504 1.484 -0.283) 6.677 18.959 ( -5.632 1.132 0.179) 5.747 19.277 ( -3.209 8.332 -2.693) 9.326 19.506 ( 2.320 -1.155 8.130) 8.533 19.850 ( -1.207 2.474 -8.192) 8.642 20.596 ( 8.487 7.386 10.913) 15.674 20.916 ( 14.661 15.308 -14.101) 25.458 21.020 ( 7.101 -2.826 -0.499) 7.659 21.595 ( -0.239 3.060 3.880) 4.947 21.811 ( 3.420 0.910 -2.290) 4.215 21.969 ( -6.180 3.329 4.259) 8.210 22.194 ( 0.004 2.186 -0.215) 2.197 22.484 ( 0.146 -6.972 -2.172) 7.304 22.606 ( -6.184 -11.432 2.004) 13.151 22.736 ( -3.870 -5.403 1.742) 6.871 22.744 ( -6.100 -6.904 -2.085) 9.446 ======================= Grid point 36 (25/86) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.866 -3.610 2.685) 4.582 1.285 ( 4.176 0.689 3.623) 5.571 1.613 ( 18.782 -6.025 -1.734) 19.801 1.746 ( -0.406 -2.838 0.014) 2.867 1.831 ( 11.052 7.214 -13.763) 19.069 2.012 ( 3.354 -0.269 0.010) 3.365 2.142 ( 0.223 -2.892 4.469) 5.327 2.266 ( -7.881 -4.362 1.538) 9.138 2.308 ( -2.603 1.401 5.064) 5.864 2.492 ( 2.401 -4.331 -0.869) 5.028 2.523 ( -3.780 3.959 2.273) 5.927 2.691 ( 8.375 -4.841 -1.194) 9.747 2.798 ( -2.293 -5.355 4.749) 7.516 2.848 ( -1.745 0.124 -0.822) 1.933 2.956 ( 3.862 -4.019 -3.251) 6.453 3.011 ( 6.356 -0.067 0.984) 6.432 3.114 ( -1.138 0.271 -1.081) 1.593 3.201 ( 7.299 -3.867 -2.396) 8.601 3.316 ( 0.528 2.471 2.669) 3.676 3.371 ( 1.803 -0.039 -6.042) 6.305 3.393 ( 2.812 0.831 -2.256) 3.700 3.469 ( -5.992 4.529 5.545) 9.336 3.554 ( -3.734 3.733 1.162) 5.407 3.651 ( -2.480 2.140 -3.014) 4.451 3.767 ( -0.381 2.108 2.102) 3.001 3.842 ( 6.012 0.343 -1.924) 6.321 3.967 ( -2.287 -2.762 3.096) 4.738 4.015 ( -0.278 5.832 -2.522) 6.360 4.068 ( -7.281 4.101 0.192) 8.359 4.327 ( -1.308 1.277 3.323) 3.793 4.424 ( -9.191 -0.294 2.119) 9.437 4.552 ( -7.632 -2.663 -2.227) 8.384 4.692 ( -1.415 -3.745 -1.912) 4.436 4.756 ( -0.961 3.256 1.707) 3.799 4.822 ( -4.002 -0.594 1.490) 4.311 4.952 ( 3.702 -2.288 -4.342) 6.147 5.064 ( -2.860 -5.690 1.058) 6.456 5.146 ( -1.939 -7.408 -1.888) 7.887 5.235 ( 1.758 -6.181 0.423) 6.440 5.400 ( 3.598 3.100 2.610) 5.419 5.667 ( -7.135 -3.466 -1.151) 8.016 5.718 ( -0.514 -0.281 -0.459) 0.744 5.923 ( 0.942 -3.923 1.889) 4.455 6.013 ( 4.700 1.118 -1.632) 5.100 6.375 ( 4.993 1.795 -2.532) 5.879 6.416 ( 4.631 0.309 2.642) 5.341 6.616 ( 0.731 6.573 2.938) 7.237 6.640 ( -2.081 3.341 1.671) 4.276 6.731 ( 1.647 6.513 -4.332) 7.993 6.922 ( -2.742 8.165 -0.960) 8.666 7.099 ( -4.013 5.365 -2.268) 7.073 7.204 ( 3.144 3.728 1.858) 5.219 7.404 ( 2.756 -2.257 1.187) 3.755 7.577 ( -7.854 -0.893 0.052) 7.905 7.925 ( -0.386 -2.586 2.078) 3.340 8.035 ( 5.300 0.053 -3.209) 6.196 8.091 ( -3.052 -2.436 0.992) 4.029 8.287 ( 1.310 5.409 0.265) 5.572 8.422 ( -4.205 7.705 -2.406) 9.101 8.563 ( -0.723 9.205 3.487) 9.870 8.891 ( 5.062 -1.464 -1.263) 5.419 9.314 ( 4.297 1.516 -2.329) 5.117 9.445 ( -1.129 -0.330 -0.438) 1.255 9.515 ( 2.302 1.016 1.113) 2.752 9.764 ( -5.442 -3.029 4.058) 7.433 9.993 ( 1.407 -0.160 -4.681) 4.891 10.127 ( -1.910 -0.483 1.677) 2.588 10.253 ( -1.093 2.401 1.140) 2.874 10.622 ( 0.320 -0.258 -2.184) 2.222 10.650 ( 2.359 -2.018 1.350) 3.385 10.854 ( -0.187 6.284 0.088) 6.287 10.989 ( -0.311 1.452 2.606) 2.999 11.081 ( 5.524 2.373 -4.759) 7.668 11.245 ( 1.184 -4.012 1.940) 4.611 11.520 ( -1.400 -4.893 0.243) 5.096 11.625 ( -0.756 -6.088 -0.079) 6.135 11.793 ( 10.573 17.394 -0.243) 20.357 11.997 ( 5.660 19.468 0.270) 20.276 12.365 ( -4.891 3.333 -0.249) 5.924 12.465 ( -4.101 5.640 0.239) 6.978 16.193 ( -3.279 -1.358 -1.353) 3.798 16.254 ( -5.642 0.057 1.189) 5.766 18.031 ( 6.649 1.898 0.115) 6.916 18.187 ( -1.524 0.373 -0.071) 1.570 18.453 ( 11.968 -4.160 0.009) 12.671 18.801 ( -8.041 -4.210 0.374) 9.084 18.859 ( -1.244 -1.512 0.257) 1.975 18.905 ( -3.631 0.230 0.578) 3.684 19.056 ( -3.242 10.447 -3.812) 11.583 19.566 ( 1.318 0.644 14.383) 14.457 19.754 ( -1.778 2.804 -13.463) 13.866 20.520 ( 3.003 9.368 2.791) 10.226 20.739 ( 17.972 10.388 -3.581) 21.065 21.060 ( -2.283 1.725 2.021) 3.503 21.589 ( 0.091 -1.211 -0.376) 1.271 21.819 ( 1.468 1.286 1.151) 2.266 21.850 ( -2.279 3.158 -0.970) 4.013 22.094 ( -1.325 6.660 0.786) 6.836 22.642 ( 3.734 -7.582 -1.772) 8.635 22.791 ( -3.618 -9.200 0.743) 9.913 22.807 ( -7.527 -7.749 1.711) 10.937 22.866 ( -2.676 -8.752 -1.182) 9.228 ======================= Grid point 37 (26/86) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 2.210 -5.808 -3.269) 7.021 1.378 ( -0.270 -6.676 5.061) 8.382 1.671 ( 1.722 4.975 -1.639) 5.514 1.799 ( 7.993 3.602 -3.298) 9.367 1.851 ( 4.499 -1.382 -0.464) 4.729 2.038 ( 1.095 -3.038 -1.505) 3.562 2.166 ( 1.257 1.868 3.252) 3.955 2.243 ( -1.546 2.350 3.111) 4.194 2.277 ( -9.994 -4.555 1.871) 11.141 2.426 ( -2.394 3.684 0.019) 4.394 2.613 ( 6.081 -4.040 -3.071) 7.920 2.762 ( -5.851 -0.158 2.039) 6.198 2.842 ( 7.147 -2.774 -0.625) 7.692 2.933 ( 1.348 -4.311 -2.786) 5.307 2.974 ( -2.299 2.577 0.346) 3.471 3.002 ( -1.768 1.857 3.284) 4.167 3.159 ( 8.443 -0.071 -3.943) 9.319 3.263 ( -5.039 -0.100 1.133) 5.165 3.322 ( 1.356 -0.141 0.292) 1.394 3.383 ( 4.346 -0.881 -0.077) 4.435 3.388 ( 1.231 0.200 0.589) 1.379 3.431 ( 2.598 -0.949 -0.286) 2.781 3.506 ( -5.560 -0.180 -1.639) 5.800 3.602 ( -2.758 -0.886 -0.522) 2.943 3.700 ( -0.739 3.071 2.342) 3.932 3.839 ( 1.359 -3.171 0.103) 3.451 3.895 ( -3.047 3.182 0.085) 4.406 3.943 ( -4.830 2.614 -1.604) 5.721 4.128 ( 12.062 -2.364 -1.271) 12.357 4.311 ( -5.632 -0.258 4.702) 7.341 4.342 ( -6.645 0.067 -0.341) 6.654 4.551 ( -5.065 -3.785 0.261) 6.328 4.720 ( 1.135 -0.715 -4.667) 4.856 4.798 ( 0.138 -6.341 3.951) 7.473 4.851 ( -2.021 -4.027 0.657) 4.553 4.989 ( 1.790 -0.070 -3.252) 3.712 5.171 ( 0.563 -4.750 0.657) 4.828 5.244 ( -2.446 -5.294 -1.898) 6.133 5.337 ( 0.816 -2.334 0.088) 2.474 5.431 ( 8.504 -0.746 3.519) 9.234 5.670 ( -7.775 -3.628 -1.405) 8.695 5.703 ( -0.230 0.692 -0.027) 0.730 5.935 ( 0.625 5.287 -0.213) 5.328 6.034 ( 0.334 -2.518 0.006) 2.540 6.323 ( 2.888 11.839 -0.027) 12.186 6.375 ( -2.370 6.517 0.296) 6.941 6.456 ( 7.406 2.484 2.688) 8.261 6.598 ( -6.478 6.089 -3.277) 9.475 6.640 ( -0.095 1.438 1.089) 1.806 6.740 ( 0.492 6.633 -0.548) 6.673 6.993 ( -0.864 3.274 -0.303) 3.399 7.170 ( 4.617 3.011 -1.147) 5.631 7.392 ( -5.295 2.436 2.989) 6.550 7.543 ( -2.272 1.413 -1.571) 3.103 7.986 ( -0.689 -1.224 3.359) 3.641 7.997 ( -1.036 4.144 -1.641) 4.576 8.064 ( 2.879 9.219 -0.756) 9.687 8.173 ( -0.455 -3.820 -1.755) 4.229 8.392 ( 1.594 -2.575 0.425) 3.058 8.484 ( 0.550 0.493 0.972) 1.221 8.949 ( 3.523 -0.915 -0.233) 3.647 9.252 ( -0.174 5.316 -0.804) 5.379 9.447 ( -0.503 -0.555 0.399) 0.849 9.553 ( 4.665 -0.562 -1.091) 4.824 9.791 ( -4.677 -3.359 2.640) 6.334 9.993 ( 0.687 0.215 -2.373) 2.480 10.133 ( -1.412 -0.621 0.872) 1.772 10.197 ( -1.393 1.241 0.473) 1.924 10.614 ( 0.616 2.839 -1.908) 3.475 10.692 ( 4.622 0.906 1.744) 5.023 10.761 ( -1.950 0.878 0.153) 2.143 10.863 ( -3.357 8.826 -0.388) 9.450 11.075 ( 3.471 2.479 -0.176) 4.269 11.293 ( 1.543 1.575 0.409) 2.243 11.555 ( 2.899 8.260 0.272) 8.759 11.592 ( 0.943 7.257 -0.618) 7.344 11.692 ( 0.731 2.201 -0.257) 2.333 11.777 ( 1.650 -3.197 0.409) 3.621 12.239 ( -3.185 5.493 -0.313) 6.357 12.355 ( -1.622 3.627 0.347) 3.988 16.198 ( -0.981 -0.549 -1.017) 1.516 16.236 ( -1.871 -1.293 0.968) 2.472 18.072 ( 5.409 -1.065 0.095) 5.514 18.157 ( -4.678 -0.571 -0.123) 4.714 18.564 ( 5.791 1.983 -0.070) 6.121 18.735 ( 0.013 5.321 2.336) 5.811 18.868 ( -2.541 2.580 -4.774) 5.992 18.915 ( -0.797 -3.508 0.902) 3.709 18.969 ( -2.416 -7.548 0.525) 7.942 19.510 ( -0.450 6.999 6.298) 9.427 19.691 ( -1.130 1.516 -5.673) 5.980 20.269 ( 2.570 18.227 -0.134) 18.408 20.804 ( 12.970 -2.274 0.688) 13.186 20.987 ( -9.227 -0.783 -0.105) 9.261 21.620 ( 0.015 -1.827 -0.664) 1.944 21.772 ( 0.085 3.516 1.819) 3.960 21.816 ( 0.606 1.744 -1.191) 2.197 21.961 ( -0.722 5.856 0.157) 5.902 22.789 ( 3.150 -4.846 -1.139) 5.891 22.868 ( -2.344 -3.766 0.802) 4.508 22.940 ( -3.458 -8.089 0.814) 8.835 23.017 ( -1.005 -8.515 -0.612) 8.596 ======================= Grid point 38 (27/86) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 0.000 3.908 0.000) 3.908 1.531 ( -0.000 -7.458 -0.000) 7.458 1.614 ( 0.000 0.877 0.000) 0.877 1.749 ( 0.000 3.924 0.000) 3.924 1.806 ( 0.000 4.496 0.000) 4.496 2.077 ( 0.000 0.263 0.000) 0.263 2.098 ( 0.000 5.254 0.000) 5.254 2.263 ( 0.000 5.846 0.000) 5.846 2.340 ( -0.000 -3.115 -0.000) 3.115 2.348 ( -0.000 -9.489 -0.000) 9.489 2.718 ( 0.000 1.176 0.000) 1.176 2.751 ( -0.000 -1.827 -0.000) 1.827 2.809 ( 0.000 3.604 0.000) 3.604 2.916 ( 0.000 0.844 0.000) 0.844 2.980 ( -0.000 -0.769 -0.000) 0.769 3.055 ( -0.000 -5.273 -0.000) 5.273 3.146 ( 0.000 12.149 0.000) 12.149 3.148 ( 0.000 4.465 0.000) 4.465 3.300 ( 0.000 1.445 0.000) 1.445 3.369 ( -0.000 -3.751 -0.000) 3.751 3.413 ( 0.000 1.391 0.000) 1.391 3.484 ( -0.000 -5.106 -0.000) 5.106 3.524 ( -0.000 -3.349 -0.000) 3.349 3.620 ( 0.000 1.281 0.000) 1.281 3.804 ( -0.000 -9.210 -0.000) 9.210 3.821 ( 0.000 3.149 0.000) 3.149 3.889 ( -0.000 -1.663 -0.000) 1.663 3.962 ( -0.000 -7.103 -0.000) 7.103 4.216 ( 0.000 0.518 0.000) 0.518 4.229 ( -0.000 -0.101 -0.000) 0.101 4.399 ( -0.000 -5.386 -0.000) 5.386 4.614 ( -0.000 -4.142 -0.000) 4.142 4.769 ( -0.000 -3.913 -0.000) 3.913 4.915 ( -0.000 -4.936 -0.000) 4.936 4.941 ( -0.000 -5.602 -0.000) 5.602 4.969 ( 0.000 2.145 0.000) 2.145 5.246 ( -0.000 -3.185 -0.000) 3.185 5.295 ( -0.000 -0.676 -0.000) 0.676 5.339 ( 0.000 1.752 0.000) 1.752 5.508 ( -0.000 -1.443 -0.000) 1.443 5.665 ( 0.000 1.177 0.000) 1.177 5.731 ( -0.000 -4.231 -0.000) 4.231 5.800 ( 0.000 7.583 0.000) 7.583 6.048 ( 0.000 1.531 0.000) 1.531 6.054 ( 0.000 12.414 0.000) 12.414 6.320 ( 0.000 13.463 0.000) 13.463 6.341 ( -0.000 -0.072 -0.000) 0.072 6.499 ( 0.000 1.281 0.000) 1.281 6.526 ( 0.000 7.752 0.000) 7.752 6.719 ( -0.000 -0.056 -0.000) 0.056 6.975 ( -0.000 -2.071 -0.000) 2.071 7.147 ( 0.000 1.940 0.000) 1.940 7.325 ( 0.000 0.599 0.000) 0.599 7.450 ( 0.000 6.227 0.000) 6.227 7.771 ( 0.000 10.411 0.000) 10.411 8.058 ( -0.000 -3.095 -0.000) 3.095 8.061 ( -0.000 -2.505 -0.000) 2.505 8.250 ( -0.000 -4.459 -0.000) 4.459 8.462 ( -0.000 -3.057 -0.000) 3.057 8.508 ( -0.000 -1.594 -0.000) 1.594 8.965 ( 0.000 1.132 0.000) 1.132 9.143 ( 0.000 5.248 0.000) 5.248 9.449 ( 0.000 0.452 0.000) 0.452 9.570 ( 0.000 0.757 0.000) 0.757 9.830 ( -0.000 -1.833 -0.000) 1.833 9.984 ( 0.000 0.769 0.000) 0.769 10.122 ( -0.000 -1.039 -0.000) 1.039 10.227 ( -0.000 -3.601 -0.000) 3.601 10.501 ( 0.000 7.303 0.000) 7.303 10.657 ( 0.000 6.696 0.000) 6.696 10.755 ( -0.000 -1.504 -0.000) 1.504 10.769 ( -0.000 -2.094 -0.000) 2.094 11.035 ( 0.000 2.715 0.000) 2.715 11.141 ( 0.000 13.805 0.000) 13.805 11.434 ( 0.000 3.096 0.000) 3.096 11.458 ( 0.000 5.459 0.000) 5.459 11.750 ( -0.000 -2.573 -0.000) 2.573 11.863 ( -0.000 -2.935 -0.000) 2.935 12.151 ( 0.000 1.571 0.000) 1.571 12.309 ( -0.000 -0.004 -0.000) 0.004 16.193 ( 0.000 0.254 0.000) 0.254 16.266 ( -0.000 -1.999 -0.000) 1.999 18.154 ( -0.000 -2.999 -0.000) 2.999 18.155 ( -0.000 -3.651 -0.000) 3.651 18.507 ( 0.000 4.714 0.000) 4.714 18.601 ( 0.000 6.970 0.000) 6.970 18.870 ( -0.000 -2.069 -0.000) 2.069 19.040 ( -0.000 -7.376 -0.000) 7.376 19.096 ( -0.000 -7.284 -0.000) 7.284 19.378 ( 0.000 6.716 0.000) 6.716 19.615 ( 0.000 5.123 0.000) 5.123 19.912 ( 0.000 19.133 0.000) 19.133 20.963 ( -0.000 -4.667 -0.000) 4.667 20.987 ( -0.000 -5.501 -0.000) 5.501 21.648 ( -0.000 -0.901 -0.000) 0.901 21.693 ( 0.000 4.628 0.000) 4.628 21.775 ( 0.000 2.252 0.000) 2.252 21.878 ( 0.000 2.698 0.000) 2.698 22.881 ( -0.000 -4.146 -0.000) 4.146 22.891 ( 0.000 0.545 0.000) 0.545 23.057 ( -0.000 -5.149 -0.000) 5.149 23.161 ( -0.000 -7.004 -0.000) 7.004 ======================= Grid point 46 (28/86) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 11.601 0.000 -1.084) 11.651 1.391 ( 10.309 0.000 -5.480) 11.676 1.460 ( 6.935 0.000 3.613) 7.820 1.688 ( 5.752 0.000 5.828) 8.188 1.919 ( -2.543 -0.000 -0.213) 2.552 1.975 ( -1.822 -0.000 3.172) 3.658 2.102 ( 4.641 0.000 -4.416) 6.407 2.171 ( 2.113 0.000 -4.393) 4.875 2.250 ( -2.391 -0.000 1.409) 2.776 2.402 ( 0.527 0.000 -2.606) 2.659 2.593 ( 15.663 0.000 -4.188) 16.213 2.668 ( -11.555 -0.000 9.994) 15.277 2.699 ( 5.061 0.000 1.338) 5.235 2.735 ( 9.964 0.000 -0.625) 9.984 2.906 ( -3.269 -0.000 -2.936) 4.394 2.993 ( 7.156 0.000 2.434) 7.559 3.082 ( -10.170 -0.000 4.250) 11.023 3.187 ( 12.090 0.000 -8.097) 14.551 3.365 ( 1.406 0.000 -0.770) 1.603 3.464 ( -12.869 -0.000 6.576) 14.452 3.474 ( 3.916 0.000 -0.786) 3.994 3.538 ( 2.617 0.000 -6.151) 6.685 3.568 ( 14.165 0.000 3.296) 14.543 3.683 ( -7.903 -0.000 -2.873) 8.409 3.871 ( 2.207 0.000 -0.026) 2.207 3.906 ( -9.128 -0.000 4.299) 10.090 3.974 ( 1.136 0.000 3.901) 4.063 4.060 ( -1.318 -0.000 -5.539) 5.693 4.187 ( -8.074 -0.000 -1.471) 8.207 4.352 ( 2.564 0.000 -0.010) 2.565 4.442 ( -6.708 -0.000 -1.167) 6.809 4.476 ( -4.757 -0.000 3.548) 5.935 4.641 ( -9.260 -0.000 4.291) 10.206 4.801 ( 0.647 0.000 -4.865) 4.908 4.836 ( -0.088 -0.000 -1.170) 1.173 4.849 ( -6.395 -0.000 2.700) 6.942 4.983 ( -8.354 -0.000 -0.123) 8.355 5.024 ( -0.545 -0.000 -0.554) 0.777 5.048 ( 3.318 0.000 -1.374) 3.591 5.517 ( -4.105 -0.000 6.171) 7.412 5.576 ( -2.189 -0.000 -3.784) 4.371 5.638 ( 6.657 0.000 -3.307) 7.433 5.840 ( -4.910 -0.000 3.792) 6.204 5.994 ( 6.697 0.000 -3.109) 7.384 6.405 ( 8.702 0.000 -3.564) 9.403 6.427 ( 3.180 0.000 3.606) 4.808 6.621 ( -4.724 -0.000 3.582) 5.929 6.740 ( 4.993 0.000 0.509) 5.019 6.996 ( 5.676 0.000 -4.684) 7.360 7.015 ( 1.701 0.000 -4.635) 4.937 7.179 ( -9.195 -0.000 -2.886) 9.637 7.328 ( 2.741 0.000 -0.374) 2.767 7.368 ( -4.766 -0.000 6.466) 8.033 7.549 ( -3.324 -0.000 4.108) 5.285 7.893 ( -1.655 -0.000 2.472) 2.975 7.931 ( 4.038 0.000 -0.178) 4.042 8.100 ( -3.786 -0.000 -6.405) 7.441 8.365 ( 2.382 0.000 1.477) 2.802 8.662 ( -2.788 -0.000 -2.410) 3.685 8.824 ( 2.166 0.000 6.904) 7.236 8.927 ( -4.464 -0.000 -3.218) 5.503 9.268 ( 2.544 0.000 -2.453) 3.534 9.442 ( -1.267 -0.000 -1.141) 1.705 9.544 ( -0.577 -0.000 1.691) 1.787 9.703 ( -4.761 -0.000 3.477) 5.896 9.998 ( 4.193 0.000 -5.765) 7.129 10.122 ( -1.373 -0.000 2.254) 2.639 10.296 ( 1.581 0.000 2.160) 2.677 10.584 ( -3.433 -0.000 -2.188) 4.071 10.647 ( 4.512 0.000 0.791) 4.581 10.973 ( 4.600 0.000 -0.362) 4.614 11.024 ( 0.893 0.000 -0.464) 1.006 11.093 ( 0.443 0.000 3.555) 3.583 11.106 ( 3.752 0.000 -3.234) 4.954 11.424 ( -6.517 -0.000 1.367) 6.659 11.476 ( 0.496 0.000 -0.950) 1.072 12.258 ( 6.517 0.000 1.696) 6.735 12.374 ( 5.238 0.000 -2.662) 5.876 12.536 ( -4.408 -0.000 0.552) 4.442 12.582 ( -0.086 -0.000 0.117) 0.145 16.171 ( -5.353 -0.000 -2.801) 6.042 16.234 ( -8.694 -0.000 2.550) 9.060 18.171 ( 5.444 0.000 -0.225) 5.449 18.196 ( 6.334 0.000 0.304) 6.342 18.418 ( 1.463 0.000 -1.128) 1.847 18.430 ( 3.016 0.000 1.072) 3.201 18.903 ( -5.063 -0.000 0.462) 5.084 18.922 ( -4.259 -0.000 -0.523) 4.291 19.338 ( -2.473 -0.000 -1.978) 3.167 19.530 ( 2.379 0.000 6.328) 6.760 19.847 ( -1.741 -0.000 -6.163) 6.405 20.797 ( 5.762 0.000 16.002) 17.008 21.027 ( 6.657 0.000 1.011) 6.733 21.087 ( 6.780 0.000 -24.252) 25.182 21.654 ( -2.580 -0.000 2.369) 3.502 21.877 ( -1.474 -0.000 4.334) 4.577 21.954 ( 4.247 0.000 4.425) 6.133 22.215 ( 2.593 0.000 -4.163) 4.905 22.395 ( -1.415 -0.000 -1.507) 2.067 22.441 ( -7.596 -0.000 4.270) 8.714 22.629 ( -3.918 -0.000 -2.565) 4.683 22.660 ( -1.629 -0.000 1.010) 1.917 ======================= Grid point 47 (29/86) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 2.180 2.534 0.709) 3.418 1.408 ( 2.831 7.682 2.057) 8.442 1.538 ( 5.379 -8.961 -4.529) 11.390 1.772 ( 7.937 -0.441 4.109) 8.948 1.921 ( -4.067 -2.362 -1.294) 4.878 2.003 ( -0.615 -2.950 0.425) 3.043 2.114 ( 2.724 1.555 -2.753) 4.173 2.187 ( 3.821 -0.167 -0.394) 3.845 2.287 ( 1.712 -3.609 -1.207) 4.173 2.409 ( -5.183 -3.340 -0.985) 6.244 2.561 ( -6.328 3.242 5.349) 8.897 2.712 ( 9.065 -1.290 0.588) 9.175 2.748 ( 3.985 -0.797 1.651) 4.387 2.825 ( 1.527 -1.362 -0.601) 2.132 2.903 ( 1.301 -2.066 -4.192) 4.851 3.013 ( -10.950 -2.361 3.550) 11.751 3.046 ( 4.089 -0.674 0.266) 4.152 3.256 ( 10.602 0.898 -3.334) 11.150 3.356 ( -0.696 0.508 -3.685) 3.784 3.372 ( -3.612 1.816 4.076) 5.740 3.476 ( -3.793 1.297 2.234) 4.589 3.525 ( 13.226 3.835 -4.377) 14.450 3.595 ( -5.189 2.348 -0.116) 5.697 3.727 ( -8.509 7.145 0.712) 11.134 3.773 ( 4.417 -1.901 -0.358) 4.822 3.865 ( 7.552 -1.036 3.871) 8.550 3.974 ( 0.570 2.804 -0.781) 2.966 4.043 ( -5.730 1.244 0.343) 5.873 4.114 ( -3.933 0.529 -1.566) 4.267 4.356 ( 1.630 1.061 -1.419) 2.407 4.376 ( -6.103 3.809 1.695) 7.391 4.445 ( -4.931 -2.459 0.990) 5.598 4.602 ( -3.462 -2.416 0.347) 4.236 4.810 ( -0.211 0.404 1.560) 1.625 4.872 ( 0.939 3.060 -1.291) 3.452 4.896 ( 0.180 -2.052 -2.104) 2.945 4.927 ( -4.372 -4.473 2.242) 6.644 4.955 ( -4.382 -5.947 -0.951) 7.448 5.163 ( 4.106 -4.964 -1.486) 6.611 5.486 ( 0.921 1.670 5.119) 5.462 5.558 ( -4.349 -1.101 -3.904) 5.947 5.701 ( 1.856 -1.271 -1.564) 2.740 5.844 ( -2.068 -3.709 2.532) 4.945 6.049 ( 3.918 -0.991 -1.620) 4.354 6.437 ( 3.277 1.876 -0.683) 3.837 6.469 ( 7.579 -0.143 -1.451) 7.718 6.584 ( -6.971 -0.408 4.291) 8.196 6.751 ( 1.960 2.416 0.496) 3.151 6.914 ( 1.766 8.712 -2.558) 9.250 7.012 ( 0.027 3.195 -1.500) 3.530 7.106 ( -5.350 0.876 -1.802) 5.713 7.299 ( 0.491 3.105 1.714) 3.580 7.391 ( 3.299 -2.713 1.069) 4.403 7.520 ( -4.837 1.073 1.236) 5.107 7.894 ( -0.414 -0.794 1.481) 1.731 8.000 ( 2.823 -3.621 -0.851) 4.670 8.063 ( -1.971 0.123 -2.085) 2.872 8.363 ( 1.977 1.749 1.402) 2.989 8.558 ( -2.579 7.875 -2.113) 8.552 8.757 ( -2.319 10.252 3.581) 11.104 8.883 ( 2.006 -1.591 -2.176) 3.360 9.307 ( -0.713 -2.461 -0.813) 2.688 9.438 ( -0.019 -0.263 -0.350) 0.438 9.556 ( 3.222 0.212 -0.354) 3.248 9.688 ( -4.239 -1.345 2.949) 5.336 10.006 ( 2.271 0.758 -3.288) 4.067 10.115 ( -1.338 0.050 1.662) 2.134 10.296 ( 0.431 1.628 0.899) 1.909 10.577 ( -1.326 -1.688 -1.245) 2.481 10.668 ( 2.413 0.442 0.529) 2.509 10.968 ( -0.027 5.100 -0.231) 5.106 11.005 ( 1.509 -0.211 0.821) 1.730 11.122 ( 2.383 -0.658 -1.214) 2.754 11.168 ( 1.222 -3.991 0.074) 4.175 11.420 ( -2.961 -3.844 0.784) 4.915 11.518 ( -0.274 -4.084 -0.348) 4.108 12.171 ( 6.303 12.757 -0.096) 14.230 12.356 ( -3.582 12.421 0.545) 12.939 12.402 ( 4.874 3.300 -0.662) 5.923 12.530 ( -3.760 4.716 0.190) 6.035 16.142 ( -2.574 -0.949 -0.730) 2.839 16.202 ( -4.058 -1.283 0.650) 4.305 18.146 ( 4.610 4.314 -0.045) 6.314 18.207 ( 0.322 2.288 0.117) 2.314 18.456 ( 8.532 -4.275 -0.137) 9.544 18.575 ( -5.902 -9.087 0.169) 10.837 18.856 ( -2.490 0.995 -0.119) 2.684 18.899 ( -1.961 0.378 0.050) 1.998 19.228 ( -1.453 8.774 -1.256) 8.982 19.578 ( 1.735 -2.085 6.199) 6.766 19.790 ( -1.505 3.538 -5.897) 7.039 20.717 ( 2.362 9.834 4.961) 11.265 21.017 ( 5.944 6.655 -9.897) 13.325 21.112 ( 2.353 0.560 3.639) 4.369 21.605 ( -0.031 2.750 1.482) 3.124 21.847 ( 2.214 1.473 -1.965) 3.306 21.907 ( -3.455 5.488 2.929) 7.116 22.200 ( 0.659 4.002 -0.588) 4.099 22.469 ( -0.947 -10.007 -0.516) 10.065 22.557 ( -1.121 -11.384 1.394) 11.524 22.651 ( -3.450 -5.240 -1.000) 6.353 22.708 ( -0.928 -5.281 0.207) 5.366 ======================= Grid point 48 (30/86) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -0.000 -2.787 -0.000) 2.787 1.326 ( 0.000 1.095 0.000) 1.095 1.703 ( -0.000 -3.868 -0.000) 3.868 1.825 ( -0.000 -2.337 -0.000) 2.337 1.915 ( 0.000 2.817 0.000) 2.817 2.015 ( 0.000 0.650 0.000) 0.650 2.106 ( -0.000 -2.683 -0.000) 2.683 2.225 ( -0.000 -0.353 -0.000) 0.353 2.358 ( 0.000 5.842 0.000) 5.842 2.388 ( -0.000 -4.121 -0.000) 4.121 2.550 ( -0.000 -4.539 -0.000) 4.539 2.744 ( 0.000 0.508 0.000) 0.508 2.780 ( -0.000 -2.963 -0.000) 2.963 2.891 ( -0.000 -2.493 -0.000) 2.493 2.946 ( -0.000 -3.869 -0.000) 3.869 3.023 ( -0.000 -0.374 -0.000) 0.374 3.125 ( -0.000 -5.308 -0.000) 5.308 3.296 ( 0.000 3.202 0.000) 3.202 3.321 ( -0.000 -2.548 -0.000) 2.548 3.380 ( -0.000 -1.874 -0.000) 1.874 3.384 ( 0.000 4.488 0.000) 4.488 3.490 ( 0.000 6.055 0.000) 6.055 3.502 ( 0.000 3.272 0.000) 3.272 3.615 ( 0.000 2.461 0.000) 2.461 3.764 ( -0.000 -2.038 -0.000) 2.038 3.853 ( 0.000 8.763 0.000) 8.763 3.949 ( 0.000 1.265 0.000) 1.265 3.967 ( 0.000 2.680 0.000) 2.680 4.179 ( -0.000 -4.730 -0.000) 4.730 4.246 ( 0.000 2.680 0.000) 2.680 4.340 ( 0.000 1.840 0.000) 1.840 4.473 ( -0.000 -2.262 -0.000) 2.262 4.678 ( -0.000 -6.017 -0.000) 6.017 4.748 ( 0.000 4.290 0.000) 4.290 4.797 ( -0.000 -0.523 -0.000) 0.523 4.972 ( -0.000 -2.376 -0.000) 2.376 5.073 ( -0.000 -6.549 -0.000) 6.549 5.075 ( -0.000 -9.723 -0.000) 9.723 5.273 ( -0.000 -4.735 -0.000) 4.735 5.487 ( 0.000 1.640 0.000) 1.640 5.553 ( -0.000 -3.347 -0.000) 3.347 5.711 ( 0.000 0.055 0.000) 0.055 5.935 ( -0.000 -4.888 -0.000) 4.888 6.050 ( 0.000 2.620 0.000) 2.620 6.402 ( 0.000 2.453 0.000) 2.453 6.518 ( 0.000 0.025 0.000) 0.025 6.566 ( -0.000 -1.685 -0.000) 1.685 6.633 ( 0.000 12.355 0.000) 12.355 6.738 ( 0.000 7.746 0.000) 7.746 6.898 ( 0.000 7.848 0.000) 7.848 7.051 ( 0.000 2.839 0.000) 2.839 7.248 ( 0.000 3.096 0.000) 3.096 7.438 ( 0.000 3.508 0.000) 3.508 7.497 ( -0.000 -4.255 -0.000) 4.255 7.926 ( -0.000 -2.626 -0.000) 2.626 8.046 ( 0.000 1.242 0.000) 1.242 8.088 ( -0.000 -4.371 -0.000) 4.371 8.330 ( 0.000 13.721 0.000) 13.721 8.362 ( -0.000 -0.612 -0.000) 0.612 8.563 ( 0.000 7.894 0.000) 7.894 8.930 ( -0.000 -2.115 -0.000) 2.115 9.322 ( 0.000 1.240 0.000) 1.240 9.433 ( 0.000 0.094 0.000) 0.094 9.574 ( 0.000 0.017 0.000) 0.017 9.710 ( -0.000 -2.836 -0.000) 2.836 9.998 ( 0.000 0.431 0.000) 0.431 10.114 ( -0.000 -0.500 -0.000) 0.500 10.247 ( 0.000 3.350 0.000) 3.350 10.609 ( -0.000 -1.838 -0.000) 1.838 10.687 ( -0.000 -1.420 -0.000) 1.420 10.849 ( 0.000 6.768 0.000) 6.768 10.985 ( 0.000 3.737 0.000) 3.737 11.127 ( 0.000 1.144 0.000) 1.144 11.258 ( -0.000 -4.201 -0.000) 4.201 11.507 ( -0.000 -5.473 -0.000) 5.473 11.613 ( -0.000 -5.692 -0.000) 5.692 11.900 ( 0.000 16.617 0.000) 16.617 12.025 ( 0.000 19.628 0.000) 19.628 12.330 ( 0.000 5.378 0.000) 5.378 12.425 ( 0.000 4.157 0.000) 4.157 16.162 ( -0.000 -2.038 -0.000) 2.038 16.210 ( -0.000 -0.958 -0.000) 0.958 18.114 ( 0.000 1.676 0.000) 1.676 18.146 ( 0.000 2.471 0.000) 2.471 18.606 ( -0.000 -2.475 -0.000) 2.475 18.681 ( -0.000 -7.841 -0.000) 7.841 18.849 ( -0.000 -0.730 -0.000) 0.730 18.880 ( -0.000 -0.621 -0.000) 0.621 19.019 ( 0.000 11.022 0.000) 11.022 19.654 ( -0.000 -3.208 -0.000) 3.208 19.664 ( 0.000 7.411 0.000) 7.411 20.550 ( 0.000 10.194 0.000) 10.194 20.927 ( 0.000 4.508 0.000) 4.508 20.995 ( 0.000 9.116 0.000) 9.116 21.589 ( -0.000 -0.950 -0.000) 0.950 21.826 ( 0.000 2.282 0.000) 2.282 21.836 ( 0.000 0.661 0.000) 0.661 22.087 ( 0.000 7.081 0.000) 7.081 22.693 ( -0.000 -11.945 -0.000) 11.945 22.724 ( -0.000 -4.285 -0.000) 4.285 22.763 ( -0.000 -9.284 -0.000) 9.284 22.843 ( -0.000 -8.813 -0.000) 8.813 ======================= Grid point 59 (31/86) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 0.000 0.000 0.000) 0.000 1.433 ( -0.000 -0.000 -0.000) 0.000 1.551 ( 0.000 0.000 0.000) 0.000 1.748 ( -0.000 -0.000 -0.000) 0.000 1.885 ( 0.000 0.000 -0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 2.159 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.314 ( -0.000 -0.000 0.000) 0.000 2.564 ( -0.000 -0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.764 ( 0.000 0.000 -0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.905 ( -0.000 -0.000 0.000) 0.000 2.926 ( 0.000 0.000 -0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.316 ( -0.000 -0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 -0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.566 ( -0.000 -0.000 0.000) 0.000 3.629 ( -0.000 -0.000 0.000) 0.000 3.785 ( 0.000 0.000 -0.000) 0.000 3.829 ( -0.000 -0.000 -0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 4.010 ( 0.000 0.000 0.000) 0.000 4.037 ( 0.000 0.000 0.000) 0.000 4.062 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.390 ( -0.000 -0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.760 ( 0.000 0.000 -0.000) 0.000 4.828 ( 0.000 0.000 0.000) 0.000 4.861 ( -0.000 -0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 5.021 ( 0.000 0.000 0.000) 0.000 5.087 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 -0.000) 0.000 5.703 ( -0.000 -0.000 0.000) 0.000 5.791 ( 0.000 0.000 -0.000) 0.000 6.047 ( 0.000 0.000 0.000) 0.000 6.475 ( 0.000 0.000 0.000) 0.000 6.511 ( 0.000 0.000 -0.000) 0.000 6.541 ( -0.000 -0.000 0.000) 0.000 6.777 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.035 ( 0.000 0.000 0.000) 0.000 7.086 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 -0.000) 0.000 7.527 ( 0.000 0.000 0.000) 0.000 7.888 ( 0.000 0.000 0.000) 0.000 7.975 ( 0.000 0.000 0.000) 0.000 8.051 ( 0.000 0.000 -0.000) 0.000 8.392 ( 0.000 0.000 0.000) 0.000 8.625 ( 0.000 0.000 0.000) 0.000 8.868 ( 0.000 0.000 0.000) 0.000 8.870 ( -0.000 -0.000 -0.000) 0.000 9.265 ( 0.000 0.000 0.000) 0.000 9.428 ( 0.000 0.000 0.000) 0.000 9.569 ( 0.000 0.000 -0.000) 0.000 9.664 ( -0.000 -0.000 0.000) 0.000 10.024 ( -0.000 -0.000 0.000) 0.000 10.112 ( 0.000 0.000 0.000) 0.000 10.315 ( 0.000 0.000 -0.000) 0.000 10.552 ( 0.000 0.000 0.000) 0.000 10.688 ( 0.000 0.000 0.000) 0.000 11.002 ( 0.000 0.000 0.000) 0.000 11.030 ( 0.000 0.000 0.000) 0.000 11.103 ( 0.000 0.000 0.000) 0.000 11.149 ( 0.000 0.000 0.000) 0.000 11.360 ( 0.000 0.000 0.000) 0.000 11.477 ( 0.000 0.000 0.000) 0.000 12.309 ( 0.000 0.000 0.000) 0.000 12.422 ( 0.000 0.000 -0.000) 0.000 12.489 ( -0.000 -0.000 0.000) 0.000 12.586 ( 0.000 0.000 0.000) 0.000 16.122 ( 0.000 0.000 0.000) 0.000 16.169 ( 0.000 0.000 0.000) 0.000 18.215 ( 0.000 0.000 0.000) 0.000 18.251 ( 0.000 0.000 0.000) 0.000 18.426 ( 0.000 0.000 0.000) 0.000 18.456 ( 0.000 0.000 0.000) 0.000 18.861 ( 0.000 0.000 0.000) 0.000 18.887 ( 0.000 0.000 0.000) 0.000 19.312 ( 0.000 0.000 0.000) 0.000 19.570 ( 0.000 0.000 0.000) 0.000 19.812 ( 0.000 0.000 0.000) 0.000 20.884 ( 0.000 0.000 0.000) 0.000 21.080 ( 0.000 0.000 0.000) 0.000 21.084 ( 0.000 0.000 -0.000) 0.000 21.637 ( 0.000 0.000 0.000) 0.000 21.876 ( 0.000 0.000 -0.000) 0.000 22.004 ( 0.000 0.000 -0.000) 0.000 22.240 ( -0.000 -0.000 0.000) 0.000 22.369 ( 0.000 0.000 -0.000) 0.000 22.378 ( 0.000 0.000 0.000) 0.000 22.594 ( 0.000 0.000 0.000) 0.000 22.650 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 107 (32/86) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 3.146 0.000 20.322) 20.564 0.452 ( 7.936 0.000 21.053) 22.500 0.693 ( -14.742 -0.000 29.562) 33.034 0.839 ( -1.876 -0.000 -13.659) 13.787 0.877 ( -7.034 -0.000 -18.466) 19.761 1.315 ( 15.270 0.000 -24.212) 28.625 1.771 ( 2.591 0.000 11.711) 11.994 1.994 ( -1.386 -0.000 7.052) 7.187 2.001 ( -8.439 -0.000 -9.083) 12.398 2.129 ( -0.752 -0.000 -4.191) 4.258 2.491 ( -1.056 -0.000 5.590) 5.689 2.559 ( -0.588 -0.000 -0.492) 0.767 2.699 ( -1.611 -0.000 6.171) 6.378 2.762 ( -3.053 -0.000 0.849) 3.169 3.021 ( -2.030 -0.000 -2.298) 3.066 3.088 ( 4.663 0.000 -6.960) 8.378 3.176 ( -16.465 -0.000 3.568) 16.848 3.222 ( 1.473 0.000 -0.227) 1.491 3.313 ( 1.924 0.000 -0.030) 1.924 3.376 ( 1.029 0.000 -5.722) 5.814 3.486 ( -9.479 -0.000 6.659) 11.584 3.609 ( 7.663 0.000 -3.941) 8.617 3.719 ( -5.745 -0.000 1.309) 5.893 3.755 ( 4.210 0.000 -1.073) 4.345 3.872 ( -0.661 -0.000 4.783) 4.828 3.995 ( -0.224 -0.000 -7.285) 7.288 4.316 ( -4.057 -0.000 4.803) 6.287 4.355 ( 1.128 0.000 0.001) 1.128 4.521 ( 4.700 0.000 -1.856) 5.053 4.523 ( -1.724 -0.000 -2.340) 2.906 4.602 ( -11.001 -0.000 1.260) 11.073 4.603 ( -3.018 -0.000 0.878) 3.143 4.769 ( -8.988 -0.000 4.005) 9.840 4.842 ( 0.138 0.000 0.552) 0.569 4.936 ( -6.352 -0.000 5.216) 8.219 4.963 ( -2.175 -0.000 3.836) 4.410 5.071 ( 6.073 0.000 -6.341) 8.780 5.125 ( 12.453 0.000 -7.477) 14.525 5.480 ( -1.986 -0.000 1.125) 2.282 5.486 ( -0.695 -0.000 0.428) 0.816 5.649 ( -3.739 -0.000 0.050) 3.739 5.659 ( 6.599 0.000 -0.883) 6.658 5.942 ( -0.296 -0.000 1.891) 1.914 5.976 ( -0.717 -0.000 -1.067) 1.285 6.080 ( -3.260 -0.000 4.159) 5.285 6.174 ( 1.989 0.000 -4.064) 4.524 6.271 ( 10.781 0.000 1.436) 10.877 6.305 ( -7.433 -0.000 -1.620) 7.607 6.606 ( 7.804 0.000 2.022) 8.061 6.652 ( -16.393 -0.000 -2.014) 16.517 7.009 ( -4.601 -0.000 5.568) 7.223 7.142 ( 4.203 0.000 -6.049) 7.366 7.731 ( -2.636 -0.000 2.835) 3.871 7.779 ( 2.354 0.000 -1.504) 2.793 8.100 ( -4.840 -0.000 3.729) 6.110 8.206 ( 9.399 0.000 -5.925) 11.110 8.392 ( -5.980 -0.000 1.715) 6.221 8.447 ( 3.014 0.000 4.316) 5.264 8.454 ( 10.724 0.000 -4.249) 11.535 8.518 ( -2.311 -0.000 -2.387) 3.322 8.789 ( -9.415 -0.000 7.787) 12.218 8.937 ( -2.278 -0.000 -5.502) 5.955 9.821 ( 6.282 0.000 0.461) 6.299 9.836 ( -14.950 -0.000 -0.900) 14.977 10.000 ( -1.375 -0.000 1.188) 1.817 10.022 ( 0.643 0.000 -0.695) 0.946 10.329 ( -9.024 -0.000 1.549) 9.156 10.360 ( 8.500 0.000 -1.167) 8.580 10.629 ( -35.520 -0.000 0.694) 35.526 10.664 ( 10.511 0.000 -2.092) 10.717 10.718 ( -18.930 -0.000 3.309) 19.217 10.780 ( 6.924 0.000 -2.162) 7.253 11.076 ( -0.876 -0.000 0.537) 1.028 11.092 ( 2.414 0.000 -0.933) 2.588 11.160 ( -13.428 -0.000 0.501) 13.437 11.168 ( 33.461 0.000 -0.308) 33.462 11.679 ( -1.779 -0.000 1.804) 2.533 11.719 ( 1.527 0.000 -1.560) 2.183 12.731 ( -0.189 -0.000 0.141) 0.236 12.735 ( -0.300 -0.000 -0.150) 0.336 16.879 ( 23.836 0.000 0.261) 23.838 16.885 ( -74.401 -0.000 -0.265) 74.402 17.785 ( -2.686 -0.000 0.593) 2.751 17.801 ( 3.050 0.000 -0.742) 3.139 18.049 ( -6.867 -0.000 0.939) 6.931 18.068 ( 16.164 0.000 -0.757) 16.182 19.190 ( 15.885 0.000 0.298) 15.888 19.197 ( -5.133 -0.000 -0.313) 5.143 19.458 ( 0.104 0.000 0.221) 0.245 19.463 ( -0.087 -0.000 -0.220) 0.237 19.744 ( 3.333 0.000 2.396) 4.105 19.804 ( -4.491 -0.000 -2.805) 5.295 20.205 ( -5.292 -0.000 0.877) 5.364 20.220 ( -1.769 -0.000 -0.480) 1.833 21.738 ( -2.059 -0.000 1.306) 2.438 21.769 ( 1.937 0.000 -1.346) 2.359 22.192 ( 3.782 0.000 0.156) 3.785 22.195 ( -1.557 -0.000 -0.113) 1.561 22.761 ( 1.166 0.000 0.681) 1.350 22.777 ( -1.270 -0.000 -0.704) 1.452 22.969 ( -6.302 -0.000 0.302) 6.309 22.975 ( 1.750 0.000 -0.261) 1.769 ======================= Grid point 108 (33/86) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 4.778 -0.229 15.218) 15.952 0.768 ( 12.635 -4.051 -2.600) 13.521 0.813 ( 6.983 -10.152 1.263) 12.387 0.967 ( -0.305 -12.122 -14.726) 19.077 1.011 ( 5.736 -22.385 14.929) 27.512 1.435 ( 14.217 -5.874 -12.732) 19.968 1.758 ( -6.040 2.945 3.590) 7.618 1.844 ( 3.786 -0.229 6.145) 7.222 2.095 ( -2.430 -6.349 3.661) 7.721 2.228 ( 4.623 -7.665 -3.589) 9.644 2.444 ( 0.300 5.787 3.281) 6.659 2.539 ( 5.081 1.210 -0.866) 5.295 2.649 ( -3.423 1.629 2.257) 4.412 2.681 ( 1.726 2.784 -2.175) 3.932 2.988 ( -5.154 1.358 1.856) 5.643 2.999 ( -4.441 -1.300 4.590) 6.518 3.190 ( 3.118 -1.307 -4.461) 5.597 3.212 ( 1.995 2.102 -2.455) 3.798 3.360 ( -4.408 -5.820 1.745) 7.506 3.481 ( -4.108 -2.700 3.190) 5.860 3.513 ( 0.576 -2.190 -3.425) 4.106 3.668 ( 4.815 3.259 -3.343) 6.707 3.718 ( -8.057 -4.142 0.854) 9.100 3.776 ( -3.852 -0.797 0.299) 3.945 3.878 ( 1.675 -1.739 3.971) 4.647 4.001 ( 9.176 2.857 -8.336) 12.722 4.317 ( -1.022 0.515 5.787) 5.900 4.324 ( -5.029 -0.452 3.826) 6.335 4.403 ( -7.239 6.241 -0.295) 9.562 4.487 ( 3.902 6.058 -2.728) 7.705 4.544 ( -5.753 2.598 2.829) 6.918 4.605 ( 3.740 -2.128 -5.962) 7.353 4.709 ( 0.109 5.710 2.817) 6.368 4.854 ( -1.870 -4.041 2.532) 5.122 4.964 ( -0.239 -1.524 0.240) 1.561 5.055 ( -6.030 -6.470 3.072) 9.363 5.106 ( 7.347 -2.215 -9.511) 12.221 5.229 ( 7.594 0.079 -3.400) 8.321 5.441 ( -10.676 -0.372 0.432) 10.692 5.486 ( -2.091 -2.806 -0.516) 3.538 5.617 ( -1.373 1.589 -0.738) 2.226 5.719 ( 0.844 -2.141 0.298) 2.321 5.865 ( 0.207 5.800 1.945) 6.120 5.929 ( 5.479 0.318 -1.046) 5.588 6.065 ( -2.706 4.473 2.394) 5.750 6.171 ( 4.314 -2.862 3.121) 6.045 6.259 ( -0.892 1.632 4.422) 4.797 6.389 ( 4.588 -5.020 -10.379) 12.408 6.592 ( 10.294 5.836 -0.667) 11.852 6.708 ( 11.858 1.293 0.243) 11.931 6.998 ( -3.795 -1.483 4.958) 6.417 7.165 ( 3.281 -0.466 -5.458) 6.385 7.682 ( -6.030 2.610 2.339) 6.974 7.762 ( 2.445 2.853 0.566) 3.799 8.052 ( -4.126 7.003 1.665) 8.297 8.180 ( 5.027 6.865 -4.274) 9.522 8.235 ( -10.293 0.113 5.360) 11.605 8.467 ( -7.813 -0.857 0.501) 7.876 8.499 ( 10.869 -0.140 -3.367) 11.379 8.564 ( 8.533 -0.500 -2.996) 9.057 8.701 ( -6.923 4.069 5.721) 9.860 8.843 ( 3.755 3.937 10.420) 11.755 9.416 ( -9.337 10.577 11.052) 17.922 9.778 ( 6.966 10.370 -8.447) 15.080 10.059 ( -8.220 -1.804 4.654) 9.616 10.128 ( -5.054 -4.346 -0.372) 6.676 10.209 ( -3.222 -0.858 1.308) 3.582 10.301 ( 2.040 1.680 0.964) 2.813 10.529 ( -3.324 -1.583 3.577) 5.133 10.616 ( 0.995 4.029 -2.403) 4.796 10.806 ( 1.353 -2.458 1.689) 3.275 10.894 ( 10.883 -0.446 3.665) 11.492 10.995 ( -8.593 2.484 -2.076) 9.183 11.113 ( 3.647 -1.371 -0.202) 3.901 11.149 ( 3.536 -1.895 -1.735) 4.371 11.254 ( 18.857 9.806 -4.740) 21.776 11.677 ( -0.797 1.019 2.448) 2.768 11.738 ( 1.298 -0.589 -1.337) 1.954 12.703 ( -1.564 2.227 0.749) 2.823 12.743 ( -1.009 1.088 -2.423) 2.841 16.352 ( -17.234 5.373 11.930) 21.638 16.813 ( 11.823 17.193 0.148) 20.866 17.853 ( -0.708 -5.582 2.478) 6.148 17.928 ( 2.635 -6.568 -1.975) 7.348 18.052 ( -19.649 -9.283 -0.043) 21.732 18.508 ( 24.986 -13.201 -4.932) 28.686 19.147 ( -4.369 0.183 1.026) 4.492 19.259 ( 0.057 2.698 -4.699) 5.419 19.428 ( -4.945 3.092 -0.082) 5.833 19.528 ( 6.881 -3.218 -0.512) 7.614 19.738 ( 2.221 6.209 -1.643) 6.796 19.775 ( 4.948 4.522 -1.147) 6.801 20.255 ( 4.469 -5.821 6.702) 9.939 20.369 ( 8.381 -12.624 -5.840) 16.240 21.658 ( -0.019 5.413 4.167) 6.831 21.687 ( 0.409 3.138 0.005) 3.164 22.135 ( -2.483 4.777 1.261) 5.530 22.244 ( 3.315 1.188 -5.438) 6.479 22.642 ( -3.584 1.652 8.823) 9.665 22.782 ( -0.493 -2.622 -5.506) 6.118 23.084 ( -2.953 -8.097 6.294) 10.672 23.204 ( -10.509 -15.144 -11.444) 21.696 ======================= Grid point 109 (34/86) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 4.960 -8.239 -5.030) 10.852 0.843 ( 12.680 -3.673 -5.311) 14.230 1.107 ( 2.962 -9.782 -4.154) 11.033 1.245 ( 7.472 -14.458 5.681) 17.238 1.543 ( 9.970 -20.499 7.669) 24.051 1.664 ( 8.356 -7.509 1.334) 11.313 1.785 ( 3.937 -4.761 0.414) 6.192 1.945 ( 7.200 -2.064 4.900) 8.950 2.158 ( -0.155 -5.941 1.860) 6.227 2.377 ( 3.280 -5.146 -4.952) 7.859 2.438 ( 2.943 4.455 -6.894) 8.719 2.536 ( 10.296 -2.787 -3.836) 11.335 2.644 ( 1.794 -4.439 1.683) 5.075 2.765 ( 2.261 -4.977 -0.211) 5.471 2.935 ( -4.688 -0.101 1.501) 4.923 3.022 ( -3.987 -2.173 2.263) 5.073 3.166 ( -1.256 1.906 0.083) 2.285 3.182 ( 0.287 2.743 -1.942) 3.373 3.394 ( -1.627 2.160 0.269) 2.717 3.469 ( -6.240 -3.422 -0.696) 7.151 3.539 ( -1.821 -0.050 2.378) 2.995 3.572 ( 1.180 5.950 -1.213) 6.186 3.631 ( -3.067 5.748 -1.070) 6.602 3.764 ( -10.743 -2.837 0.225) 11.114 3.920 ( 5.096 4.179 -4.507) 7.984 3.998 ( 0.261 0.554 2.274) 2.355 4.187 ( -5.336 6.710 0.967) 8.628 4.307 ( -10.324 -1.580 1.961) 10.627 4.332 ( -0.236 2.031 6.251) 6.577 4.385 ( -7.391 0.598 2.340) 7.776 4.469 ( 4.888 3.036 -3.968) 6.990 4.656 ( 1.748 -0.662 3.091) 3.612 4.671 ( 2.006 -1.383 -5.730) 6.227 4.898 ( 3.620 0.264 -0.790) 3.715 4.956 ( 1.368 2.150 0.968) 2.726 5.074 ( -7.573 -1.308 -0.340) 7.693 5.169 ( -2.119 -3.270 -1.514) 4.181 5.208 ( 2.542 4.149 0.577) 4.900 5.362 ( -8.115 -0.040 -0.474) 8.129 5.545 ( -3.655 -1.975 -0.679) 4.209 5.605 ( 3.641 -2.925 0.035) 4.670 5.741 ( 0.862 0.228 -1.566) 1.802 5.841 ( 0.683 -1.696 0.832) 2.009 5.950 ( -2.143 2.393 -0.726) 3.293 6.018 ( 10.730 3.032 -2.101) 11.346 6.225 ( 7.883 2.164 2.793) 8.639 6.281 ( 2.963 -1.697 4.521) 5.665 6.445 ( 11.148 4.696 -9.035) 15.098 6.560 ( 8.668 4.507 -0.681) 9.793 6.716 ( 5.272 4.094 2.595) 7.162 7.038 ( -1.332 -3.894 3.103) 5.154 7.178 ( 1.731 0.152 -4.574) 4.893 7.558 ( -6.946 5.155 3.245) 9.239 7.707 ( -0.636 4.883 5.191) 7.155 7.883 ( 2.284 6.249 -4.009) 7.768 8.051 ( 1.969 7.949 -3.467) 8.893 8.261 ( -3.950 -4.291 1.192) 5.954 8.441 ( -6.414 -1.808 4.441) 8.008 8.534 ( -1.572 4.075 -1.092) 4.502 8.595 ( -5.017 0.200 3.344) 6.032 8.639 ( 11.307 -1.679 -7.495) 13.669 8.879 ( 3.559 0.333 11.444) 11.989 9.288 ( -0.643 1.660 1.657) 2.432 9.602 ( 4.401 9.390 -7.004) 12.514 10.025 ( -4.663 0.198 4.208) 6.284 10.075 ( -2.427 4.153 -0.834) 4.882 10.227 ( -6.468 -4.669 1.283) 8.080 10.375 ( 0.980 -3.343 1.545) 3.811 10.505 ( 0.512 3.232 -0.185) 3.278 10.586 ( 4.430 0.438 -2.457) 5.085 10.800 ( -0.800 1.753 -1.215) 2.278 10.916 ( -2.985 0.091 -1.664) 3.419 10.955 ( 8.798 4.654 4.968) 11.124 11.119 ( 1.012 4.541 -1.442) 4.871 11.217 ( 7.656 -0.737 0.198) 7.694 11.248 ( 11.561 0.396 -3.130) 11.984 11.641 ( -2.206 1.503 3.831) 4.670 11.747 ( 0.356 -0.352 -1.934) 1.998 12.622 ( -2.033 5.031 1.362) 5.595 12.658 ( -2.827 5.119 -2.057) 6.199 16.257 ( -3.190 1.249 4.234) 5.446 16.582 ( 3.245 11.536 -2.100) 12.166 17.945 ( -4.811 -5.654 1.127) 7.509 18.080 ( 1.435 -6.581 -0.488) 6.754 18.119 ( -6.233 -9.680 -0.332) 11.518 18.756 ( 19.059 3.898 0.398) 19.458 19.108 ( -6.589 0.839 1.516) 6.813 19.175 ( -6.149 1.176 -2.133) 6.613 19.281 ( -7.491 5.976 -0.266) 9.586 19.559 ( 1.300 7.573 3.854) 8.596 19.658 ( 14.085 3.361 -4.185) 15.073 19.705 ( 8.590 5.863 -1.264) 10.476 20.399 ( -6.779 -10.807 -2.705) 13.041 20.749 ( 13.759 -13.498 3.523) 19.594 21.613 ( -1.429 -0.069 -0.307) 1.464 21.671 ( 3.015 0.232 1.219) 3.260 21.995 ( -3.510 7.294 2.554) 8.488 22.167 ( 1.803 6.825 -6.142) 9.357 22.661 ( -3.082 -3.401 8.530) 9.686 22.840 ( 0.888 -4.263 -7.330) 8.526 23.184 ( -6.050 -4.115 7.817) 10.707 23.288 ( -8.688 -5.504 -7.653) 12.820 ======================= Grid point 110 (35/86) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 3.354 -11.157 -5.643) 12.945 1.079 ( 7.301 -8.677 3.127) 11.763 1.311 ( 4.367 -11.328 2.005) 12.305 1.522 ( 7.541 -5.666 4.892) 10.625 1.766 ( 6.234 -2.146 -0.890) 6.653 1.882 ( -0.741 -8.624 -1.759) 8.832 1.983 ( 11.891 -6.789 -4.378) 14.375 2.144 ( 7.137 -12.396 3.197) 14.656 2.269 ( 2.125 4.305 0.256) 4.808 2.348 ( 5.029 -3.614 3.954) 7.347 2.555 ( 5.474 -6.457 -7.313) 11.187 2.694 ( 6.427 -3.047 -1.126) 7.201 2.754 ( 1.433 -4.928 1.184) 5.267 2.787 ( -2.428 0.844 2.603) 3.658 2.966 ( -1.865 -3.130 -3.502) 5.054 3.033 ( -1.699 -4.397 1.680) 5.004 3.098 ( -1.033 2.705 -1.414) 3.222 3.164 ( -1.238 -1.189 -0.353) 1.752 3.260 ( -5.043 7.976 0.763) 9.467 3.445 ( -0.585 3.373 0.635) 3.482 3.480 ( 0.695 4.378 -3.121) 5.421 3.547 ( -4.560 -1.594 0.169) 4.834 3.565 ( 0.167 -1.827 -0.213) 1.847 3.698 ( -7.146 2.062 1.737) 7.638 3.858 ( -2.665 2.048 0.636) 3.420 3.909 ( -2.062 4.420 2.079) 5.302 4.044 ( -1.342 6.807 0.780) 6.981 4.235 ( -11.479 -1.419 2.054) 11.747 4.308 ( -2.723 2.573 -0.416) 3.769 4.407 ( 1.188 -3.034 1.844) 3.744 4.438 ( 0.957 -0.050 -5.642) 5.722 4.685 ( -5.615 -3.976 1.490) 7.039 4.763 ( 3.468 -4.118 -1.337) 5.547 4.877 ( 4.824 5.541 -2.295) 7.697 4.940 ( 2.634 0.968 0.283) 2.821 5.019 ( -10.104 -1.055 5.585) 11.593 5.152 ( -8.479 -2.691 0.418) 8.906 5.236 ( 6.959 -0.998 -2.172) 7.359 5.316 ( -3.329 0.638 -0.032) 3.389 5.512 ( -4.418 0.030 1.773) 4.761 5.709 ( 0.882 2.609 -2.718) 3.869 5.751 ( 5.036 -4.833 0.845) 7.031 5.879 ( -0.886 0.284 0.181) 0.948 5.898 ( 2.908 -0.523 -0.705) 3.038 6.018 ( 10.874 5.565 -2.656) 12.501 6.210 ( 13.056 9.289 -2.055) 16.154 6.359 ( 4.265 -3.136 1.565) 5.520 6.397 ( 2.762 3.933 1.862) 5.154 6.546 ( 4.123 2.298 -1.418) 4.929 6.694 ( 4.941 2.442 1.777) 5.791 7.114 ( -0.637 -2.899 0.982) 3.126 7.163 ( 0.551 1.165 -2.663) 2.958 7.414 ( -3.609 5.217 1.910) 6.625 7.608 ( -1.457 5.196 5.734) 7.874 7.774 ( 7.179 9.046 -4.551) 12.413 7.963 ( 1.049 1.451 -5.152) 5.454 8.295 ( -5.580 -2.865 -1.736) 6.508 8.377 ( -7.223 6.158 1.027) 9.547 8.450 ( -5.324 -1.633 3.647) 6.657 8.556 ( -6.714 -0.161 6.924) 9.646 8.766 ( 11.278 -2.825 -9.449) 14.982 8.896 ( -0.277 1.299 7.612) 7.728 9.320 ( 3.007 -2.629 -2.271) 4.594 9.504 ( 3.118 2.474 -1.711) 4.332 9.955 ( -1.493 2.971 -1.561) 3.674 10.035 ( -1.261 0.160 2.955) 3.217 10.258 ( -5.642 -3.215 2.369) 6.913 10.397 ( 1.969 2.808 -0.513) 3.467 10.459 ( -1.192 0.607 -0.507) 1.431 10.619 ( 4.353 0.088 0.235) 4.360 10.746 ( 0.573 3.404 -3.462) 4.889 10.882 ( 5.630 7.430 0.762) 9.353 10.919 ( 2.439 1.001 1.892) 3.245 11.040 ( -3.133 1.794 -0.493) 3.643 11.280 ( 7.448 0.704 -0.913) 7.537 11.333 ( 6.870 -1.336 -0.846) 7.049 11.634 ( -1.776 -2.094 3.342) 4.326 11.764 ( 0.384 -2.079 -1.927) 2.860 12.476 ( -3.414 8.330 0.461) 9.014 12.531 ( -2.908 4.803 -0.634) 5.650 16.229 ( -1.031 0.919 1.819) 2.284 16.426 ( 0.101 6.044 -1.611) 6.256 18.004 ( -5.938 -5.281 -0.314) 7.953 18.196 ( -0.390 -5.215 1.804) 5.532 18.282 ( 2.058 -7.931 -1.440) 8.320 18.725 ( 9.525 9.909 0.290) 13.747 19.007 ( -6.687 2.987 0.331) 7.332 19.084 ( -7.734 2.863 -0.576) 8.268 19.178 ( -6.030 -1.648 0.230) 6.256 19.439 ( 6.027 8.147 1.287) 10.216 19.646 ( 7.552 3.800 -1.486) 8.584 19.736 ( 15.207 4.004 -0.004) 15.725 20.545 ( -8.423 -11.180 -1.827) 14.117 21.051 ( 7.360 -8.524 2.544) 11.546 21.621 ( -1.034 -1.645 -1.021) 2.195 21.697 ( 2.676 0.662 0.522) 2.806 21.843 ( -2.746 5.868 3.821) 7.522 22.015 ( 0.355 7.875 -5.845) 9.814 22.737 ( -1.515 -4.372 6.521) 7.996 22.909 ( 1.710 -3.332 -6.449) 7.458 23.191 ( -6.095 -0.626 5.157) 8.008 23.282 ( -5.947 -1.875 -3.649) 7.225 ======================= Grid point 111 (36/86) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.276 -9.834 1.747) 9.992 1.268 ( 1.874 -8.139 2.090) 8.610 1.580 ( 2.669 -3.511 0.333) 4.423 1.643 ( 8.920 -7.919 2.656) 12.220 1.849 ( 8.601 1.707 -4.843) 10.017 1.958 ( 2.919 0.793 -5.684) 6.438 2.066 ( 1.783 -1.945 -2.570) 3.683 2.273 ( -3.147 -3.120 6.725) 8.054 2.398 ( 2.027 -1.233 1.386) 2.748 2.498 ( 8.645 -11.461 0.637) 14.370 2.604 ( 0.121 1.051 0.235) 1.083 2.671 ( -6.794 1.210 1.346) 7.031 2.763 ( 0.147 -0.523 -5.674) 5.699 2.916 ( 4.635 -2.705 4.804) 7.203 2.966 ( -0.372 1.499 -1.676) 2.279 3.029 ( 1.415 5.357 -1.395) 5.714 3.129 ( -3.883 -1.682 3.296) 5.363 3.178 ( 3.810 -6.539 -5.360) 9.274 3.215 ( 1.109 -4.951 0.232) 5.079 3.369 ( -2.192 8.295 3.250) 9.174 3.378 ( 1.069 1.937 -3.268) 3.946 3.487 ( -4.882 3.133 0.171) 5.804 3.601 ( -0.130 1.223 1.295) 1.786 3.666 ( -1.488 -4.924 1.146) 5.270 3.829 ( -2.869 -0.338 4.047) 4.972 3.861 ( -1.235 0.618 -2.196) 2.594 3.926 ( -1.579 4.237 -0.547) 4.555 4.170 ( -3.494 0.846 0.372) 3.614 4.266 ( -4.504 -1.537 -2.969) 5.609 4.451 ( -1.069 -0.942 -0.193) 1.438 4.460 ( 3.302 -0.092 -0.840) 3.408 4.691 ( -9.484 -2.669 1.855) 10.026 4.787 ( 1.281 2.855 -2.413) 3.952 4.805 ( 3.164 3.253 -2.032) 4.972 4.945 ( 4.062 0.996 2.554) 4.900 5.077 ( -5.254 -8.762 2.829) 10.601 5.117 ( -10.074 -0.833 0.810) 10.141 5.278 ( -0.293 1.280 1.026) 1.666 5.309 ( 4.244 -1.006 -0.151) 4.364 5.511 ( 0.916 -0.872 -0.521) 1.367 5.617 ( -1.431 4.834 -1.171) 5.175 5.852 ( 2.861 -2.043 -0.352) 3.533 5.870 ( 2.337 2.442 0.537) 3.422 5.952 ( 8.966 1.276 -1.761) 9.226 6.001 ( 1.608 -1.115 0.612) 2.050 6.149 ( 8.424 4.336 -4.117) 10.331 6.324 ( -0.149 4.856 5.197) 7.114 6.446 ( 0.868 -2.145 -0.754) 2.434 6.553 ( 2.824 -0.936 -0.454) 3.009 6.701 ( 4.397 1.381 0.158) 4.611 7.068 ( -4.235 3.326 0.432) 5.402 7.144 ( -3.383 1.746 0.900) 3.912 7.385 ( 5.932 -1.776 -2.098) 6.538 7.535 ( 0.891 3.107 3.302) 4.620 7.672 ( 6.665 5.566 -0.839) 8.724 7.928 ( -0.707 2.614 -6.881) 7.395 8.206 ( -8.191 4.197 2.803) 9.621 8.270 ( -6.968 -0.882 -3.202) 7.719 8.446 ( -2.923 -0.797 2.213) 3.752 8.560 ( -4.738 -2.424 11.629) 12.789 8.811 ( 3.576 3.464 -1.382) 5.167 8.919 ( 4.651 -2.563 -7.126) 8.887 9.367 ( 0.619 -0.819 -0.746) 1.269 9.545 ( 2.192 -3.393 0.558) 4.078 9.922 ( 2.475 0.752 -2.729) 3.761 10.033 ( -1.318 -0.329 3.538) 3.790 10.268 ( -4.390 -0.733 1.611) 4.733 10.327 ( -1.203 2.754 1.156) 3.219 10.458 ( 2.883 0.529 -1.399) 3.248 10.631 ( -1.178 2.216 1.015) 2.707 10.656 ( 1.746 3.629 -4.817) 6.279 10.795 ( 5.389 5.202 1.190) 7.584 10.939 ( 0.380 -0.576 2.086) 2.197 11.000 ( -2.375 -0.046 -0.319) 2.397 11.301 ( 4.449 1.496 -1.507) 4.929 11.397 ( 2.742 -1.318 0.647) 3.111 11.693 ( 0.075 -3.253 0.962) 3.393 11.839 ( 2.022 -5.141 -0.690) 5.567 12.277 ( -4.482 8.697 -0.229) 9.787 12.431 ( -1.638 3.517 0.206) 3.885 16.214 ( -0.469 0.289 0.933) 1.083 16.338 ( -0.539 2.961 -1.010) 3.175 18.055 ( -3.176 -3.873 -0.560) 5.040 18.270 ( -0.765 -2.635 2.633) 3.802 18.423 ( 1.152 -5.517 -1.830) 5.925 18.581 ( 4.003 9.440 -1.282) 10.333 18.938 ( -3.895 -0.209 1.231) 4.091 18.998 ( -4.437 0.902 1.746) 4.853 19.184 ( -3.766 -2.156 -0.612) 4.382 19.343 ( 4.506 6.088 -2.064) 7.850 19.652 ( 5.980 1.394 0.661) 6.176 19.758 ( 9.107 3.748 0.369) 9.855 20.672 ( -5.332 -7.768 -0.703) 9.448 21.199 ( 1.351 -3.279 1.184) 3.739 21.643 ( -0.562 -1.298 -0.771) 1.611 21.672 ( 1.057 2.480 0.124) 2.699 21.762 ( -0.360 3.236 3.043) 4.456 21.885 ( 0.314 3.983 -3.973) 5.634 22.821 ( -0.137 -3.726 3.473) 5.096 22.955 ( 1.129 -1.158 -3.350) 3.720 23.156 ( -3.667 0.494 1.905) 4.162 23.262 ( -3.265 -0.567 -1.120) 3.498 ======================= Grid point 112 (37/86) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -2.678 -7.034 5.053) 9.066 1.389 ( 1.866 -0.551 -2.719) 3.343 1.517 ( 1.090 5.241 -7.873) 9.521 1.786 ( -2.527 4.715 3.888) 6.613 1.862 ( 4.796 -2.200 4.412) 6.878 2.000 ( -1.406 -2.843 -4.998) 5.919 2.027 ( 0.190 5.079 2.395) 5.619 2.312 ( -2.241 -2.260 3.901) 5.034 2.413 ( 2.662 -0.937 -5.342) 6.042 2.585 ( -2.123 0.036 0.727) 2.245 2.632 ( 4.151 1.370 0.895) 4.462 2.683 ( -4.879 -4.202 -1.881) 6.709 2.829 ( 3.426 -3.060 -1.339) 4.785 2.877 ( -1.665 4.830 -0.263) 5.115 2.917 ( 1.095 2.458 1.091) 2.904 2.990 ( 1.167 -2.583 -2.245) 3.615 3.128 ( -4.477 3.596 7.022) 9.071 3.223 ( -2.767 -0.112 4.666) 5.426 3.289 ( -2.749 1.921 3.645) 4.953 3.335 ( 2.527 -5.777 -5.205) 8.176 3.359 ( 0.262 3.199 -2.207) 3.895 3.424 ( 5.746 -1.878 -5.444) 8.135 3.602 ( 1.590 -1.109 -0.418) 1.983 3.722 ( -4.828 1.117 3.412) 6.017 3.811 ( -0.364 -0.940 2.161) 2.385 3.831 ( 0.462 1.524 -0.332) 1.626 3.897 ( 0.340 -2.403 -4.207) 4.857 4.151 ( -0.568 0.125 0.786) 0.977 4.251 ( 2.934 2.467 -0.597) 3.880 4.451 ( 2.055 1.287 1.084) 2.656 4.473 ( -0.471 -0.715 -0.015) 0.856 4.680 ( -3.328 -2.102 -1.675) 4.277 4.729 ( -0.584 1.728 -0.417) 1.871 4.804 ( 2.496 -0.841 -2.106) 3.372 5.002 ( 5.458 -1.213 2.722) 6.218 5.017 ( -8.875 0.652 1.531) 9.030 5.217 ( 0.795 -2.178 -0.286) 2.336 5.252 ( 1.690 1.216 1.253) 2.430 5.320 ( -0.301 0.546 0.253) 0.673 5.515 ( -1.215 1.219 0.928) 1.955 5.555 ( 0.855 -0.563 -1.710) 1.993 5.844 ( 0.447 1.183 0.266) 1.292 5.873 ( 0.138 2.900 -0.052) 2.904 5.961 ( -1.146 -2.860 -0.006) 3.082 6.084 ( 0.817 -2.962 -0.675) 3.146 6.121 ( 1.111 3.375 -1.594) 3.895 6.282 ( 0.230 -1.660 1.666) 2.363 6.455 ( -1.158 -0.023 -0.408) 1.228 6.595 ( 0.134 -0.772 0.181) 0.805 6.699 ( 0.433 0.811 -0.624) 1.111 7.013 ( 1.792 0.016 0.114) 1.796 7.092 ( -3.328 -0.184 1.894) 3.834 7.415 ( -4.615 2.520 2.148) 5.680 7.567 ( 7.314 -5.171 -6.687) 11.179 7.689 ( 7.411 -0.210 1.943) 7.664 7.803 ( -9.849 3.455 -2.343) 10.697 8.145 ( 3.280 1.035 1.876) 3.918 8.243 ( -1.752 -1.362 -3.778) 4.382 8.448 ( -1.549 -0.680 2.404) 2.940 8.591 ( -2.666 -0.156 13.580) 13.840 8.758 ( 1.834 3.086 -2.255) 4.239 8.977 ( 2.009 -2.440 -10.048) 10.534 9.374 ( 0.396 0.293 -0.211) 0.536 9.602 ( -0.464 -0.548 0.942) 1.184 9.918 ( 0.517 1.294 -1.388) 1.966 10.048 ( -0.691 -1.192 2.309) 2.688 10.230 ( 0.289 0.708 0.221) 0.796 10.330 ( -6.522 -4.429 4.434) 9.045 10.443 ( 8.217 5.617 -4.291) 10.839 10.568 ( 0.268 0.553 -0.178) 0.640 10.644 ( -2.406 -1.656 -1.898) 3.483 10.773 ( -0.086 -0.075 0.988) 0.994 10.951 ( 0.520 -0.191 1.077) 1.211 10.995 ( -0.665 -0.317 0.435) 0.855 11.299 ( 0.407 0.218 -1.548) 1.615 11.422 ( -0.377 0.019 0.978) 1.048 11.731 ( 0.232 -0.157 -0.094) 0.295 11.936 ( 0.050 -0.064 0.013) 0.083 12.134 ( -0.499 0.095 -0.334) 0.607 12.389 ( 0.364 0.089 0.302) 0.481 16.220 ( 0.349 -0.929 0.204) 1.013 16.296 ( -0.357 0.941 -0.307) 1.053 18.083 ( 0.108 0.049 -0.307) 0.329 18.314 ( -0.940 -2.511 2.445) 3.629 18.450 ( 2.466 6.618 -0.424) 7.075 18.501 ( -1.605 -3.841 -2.985) 5.123 18.934 ( -0.611 -0.522 0.399) 0.897 18.998 ( 0.676 -1.477 4.325) 4.620 19.169 ( -0.767 1.401 -2.649) 3.094 19.290 ( 0.926 1.098 -1.473) 2.057 19.678 ( -0.443 -1.531 -0.140) 1.600 19.752 ( 0.132 0.480 0.983) 1.101 20.728 ( 0.113 0.272 -0.186) 0.349 21.230 ( -0.289 -0.057 0.895) 0.942 21.649 ( -0.211 0.375 -0.071) 0.436 21.653 ( 0.357 -0.004 -0.095) 0.370 21.737 ( -0.186 -1.601 -0.817) 1.807 21.841 ( 0.436 1.298 -0.358) 1.415 22.883 ( 0.832 -1.930 -0.100) 2.104 22.942 ( -1.712 2.147 1.409) 3.086 23.143 ( 1.063 -0.326 -0.590) 1.259 23.251 ( -0.337 -0.011 -0.195) 0.390 ======================= Grid point 113 (38/86) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -0.530 11.782 -7.004) 13.717 1.314 ( -3.167 4.966 1.738) 6.141 1.487 ( -5.661 -4.292 4.820) 8.585 1.631 ( -6.823 10.253 2.961) 12.667 1.819 ( -3.079 4.438 -2.486) 5.947 1.909 ( 2.794 4.285 -0.606) 5.152 2.021 ( -6.160 -0.298 -1.164) 6.276 2.337 ( -1.934 0.187 2.944) 3.528 2.457 ( -1.774 -0.041 -3.343) 3.784 2.521 ( -3.582 4.405 -0.961) 5.758 2.563 ( -3.878 10.535 2.955) 11.608 2.683 ( 2.122 -1.612 1.658) 3.139 2.756 ( 4.106 -2.078 -5.167) 6.919 2.928 ( 2.716 -0.367 1.424) 3.088 2.983 ( -3.475 -2.726 -0.915) 4.511 3.033 ( -5.227 1.001 0.789) 5.380 3.078 ( 0.473 -0.190 0.499) 0.713 3.128 ( 2.388 2.348 1.136) 3.536 3.238 ( -1.095 3.558 0.029) 3.723 3.335 ( 2.090 -2.963 -1.450) 3.905 3.395 ( -3.980 -1.896 1.436) 4.636 3.521 ( 3.680 -3.197 -1.649) 5.147 3.629 ( 2.848 3.097 0.186) 4.211 3.656 ( 0.175 0.279 0.103) 0.345 3.790 ( -1.547 2.802 4.061) 5.171 3.856 ( 0.439 -3.888 0.320) 3.926 3.983 ( 3.428 -4.611 -3.352) 6.652 4.186 ( 3.764 -0.924 2.041) 4.380 4.229 ( 11.393 2.427 -3.098) 12.053 4.423 ( 1.434 2.738 0.215) 3.098 4.494 ( -1.522 -1.907 -1.637) 2.938 4.677 ( -0.398 1.393 1.494) 2.081 4.759 ( 0.549 -3.861 0.272) 3.909 4.841 ( 3.501 -0.331 -3.920) 5.266 4.950 ( -8.387 -1.552 1.885) 8.735 5.091 ( 8.337 2.066 2.271) 8.884 5.115 ( 4.457 6.409 0.989) 7.869 5.282 ( -3.796 2.310 1.827) 4.805 5.303 ( 0.718 -0.916 -0.843) 1.437 5.515 ( 0.750 -1.192 -0.762) 1.601 5.600 ( 0.523 -3.263 -0.235) 3.313 5.826 ( -4.420 -0.742 1.775) 4.820 5.834 ( -3.331 -2.022 0.721) 3.963 5.953 ( -5.721 3.787 -0.759) 6.902 6.049 ( -3.199 1.615 -1.961) 4.085 6.107 ( -2.454 -3.749 -0.638) 4.526 6.401 ( -1.742 -6.859 1.182) 7.175 6.445 ( -1.264 -1.806 -2.363) 3.232 6.565 ( -1.863 2.324 -1.369) 3.278 6.682 ( -5.920 -1.298 1.541) 6.253 7.079 ( 2.172 -2.512 -0.366) 3.341 7.124 ( 3.371 -2.538 2.252) 4.783 7.330 ( -5.654 -0.196 1.047) 5.753 7.673 ( -10.719 -1.363 -0.042) 10.806 7.716 ( 5.232 -5.803 -11.740) 14.102 7.779 ( 1.803 -2.467 6.012) 6.744 8.198 ( 9.085 -0.107 1.781) 9.259 8.281 ( 4.812 -1.872 -2.051) 5.556 8.463 ( 1.797 -0.665 1.879) 2.684 8.576 ( -1.274 2.448 10.936) 11.278 8.714 ( -0.344 2.250 -1.711) 2.847 9.012 ( -1.441 -3.384 -8.361) 9.134 9.349 ( -0.859 2.233 0.389) 2.424 9.565 ( -1.661 2.862 -0.542) 3.353 9.888 ( -0.310 0.489 -0.029) 0.580 10.064 ( -1.652 -0.940 1.005) 2.150 10.260 ( 1.941 -1.716 1.675) 3.085 10.386 ( -0.538 -1.533 -0.446) 1.685 10.395 ( -0.031 0.232 0.826) 0.859 10.592 ( 3.267 -1.388 0.368) 3.568 10.674 ( -1.731 -2.769 -2.577) 4.160 10.798 ( -5.310 -4.989 0.733) 7.322 10.963 ( 0.234 -0.241 0.636) 0.719 11.000 ( 0.543 -0.572 -0.256) 0.829 11.292 ( -3.422 -1.069 -1.092) 3.747 11.393 ( -3.703 1.562 0.895) 4.117 11.707 ( 0.603 2.409 0.220) 2.493 11.834 ( -2.474 5.615 -0.473) 6.154 12.269 ( 3.775 -8.760 0.222) 9.541 12.435 ( 2.386 -3.362 -0.005) 4.123 16.256 ( 1.977 -1.958 -1.978) 3.414 16.295 ( -0.990 -1.316 1.941) 2.545 18.055 ( 3.497 3.726 -0.544) 5.139 18.335 ( -1.759 1.190 1.675) 2.705 18.349 ( 0.948 5.690 -0.542) 5.794 18.577 ( -3.503 -7.862 -0.841) 8.648 18.953 ( 4.751 0.238 -0.097) 4.758 19.045 ( 2.794 -1.170 -0.075) 3.030 19.151 ( 3.239 0.892 0.902) 3.479 19.300 ( -2.917 -3.498 0.300) 4.565 19.696 ( -7.936 -4.026 -2.338) 9.201 19.750 ( -8.048 -3.127 1.276) 8.728 20.661 ( 5.630 8.713 -0.022) 10.374 21.204 ( -1.686 2.745 0.914) 3.349 21.637 ( 0.471 1.200 -0.279) 1.319 21.679 ( -1.204 -3.151 -0.459) 3.404 21.787 ( -1.806 -2.250 3.810) 4.779 21.855 ( 2.854 -3.800 -4.417) 6.488 22.861 ( -3.096 4.151 4.570) 6.907 22.909 ( 1.811 0.393 -3.952) 4.365 23.167 ( 2.984 0.192 1.201) 3.222 23.262 ( 3.792 -0.087 -1.200) 3.978 ======================= Grid point 114 (39/86) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -2.458 14.858 -7.064) 16.635 1.114 ( -7.668 10.892 1.168) 13.372 1.325 ( -5.344 14.936 -1.875) 15.973 1.579 ( -7.943 -6.502 12.023) 15.809 1.677 ( -5.235 7.287 -3.636) 9.681 1.819 ( -2.052 6.265 3.103) 7.286 1.991 ( -6.157 1.235 -7.637) 9.888 2.169 ( -13.727 6.627 1.324) 15.300 2.293 ( -1.855 6.132 4.836) 8.027 2.399 ( -5.940 10.185 0.648) 11.808 2.492 ( 0.277 0.522 -6.184) 6.212 2.639 ( -0.994 5.070 0.796) 5.227 2.771 ( -2.794 5.086 -0.264) 5.809 2.858 ( -4.685 3.291 0.640) 5.761 2.970 ( 6.223 -0.947 -5.582) 8.414 3.019 ( 1.470 0.405 2.090) 2.587 3.086 ( 4.423 1.205 0.005) 4.584 3.129 ( -0.637 -0.608 2.448) 2.601 3.325 ( 6.118 -6.315 -4.867) 10.049 3.396 ( -4.267 -4.848 3.551) 7.371 3.462 ( 1.065 -5.543 -1.121) 5.755 3.547 ( 1.652 0.961 1.238) 2.277 3.611 ( 6.615 0.472 -4.819) 8.198 3.686 ( 4.809 -0.003 2.161) 5.272 3.745 ( -3.884 -0.239 6.955) 7.970 3.980 ( 5.545 -6.137 -0.512) 8.287 4.088 ( 3.192 -3.944 -1.948) 5.434 4.193 ( 5.322 1.658 3.135) 6.395 4.345 ( 9.140 1.468 1.109) 9.323 4.420 ( 0.567 -4.433 -5.344) 6.967 4.502 ( 0.114 -2.016 -5.554) 5.910 4.616 ( -0.490 5.231 3.940) 6.567 4.813 ( 0.777 1.893 -0.367) 2.079 4.840 ( -0.618 -0.707 -1.962) 2.175 4.913 ( -3.292 -0.368 1.985) 3.861 5.035 ( -4.992 1.312 5.469) 7.520 5.156 ( 9.194 -0.617 -0.430) 9.225 5.227 ( 1.271 2.105 -1.928) 3.125 5.325 ( 3.894 -0.583 -0.390) 3.957 5.521 ( 1.863 1.931 1.354) 3.005 5.682 ( -0.033 -4.511 -0.906) 4.601 5.747 ( -6.864 5.492 0.671) 8.816 5.860 ( -2.279 -0.273 1.011) 2.508 5.882 ( -1.710 -3.152 -0.051) 3.586 6.002 ( -6.450 -1.548 -1.455) 6.791 6.178 ( -8.414 -7.081 0.499) 11.008 6.389 ( -3.327 1.290 0.499) 3.603 6.481 ( -1.305 2.138 -4.375) 5.041 6.565 ( -4.066 -4.944 -3.275) 7.190 6.686 ( -10.477 -7.158 2.969) 13.032 7.102 ( -3.319 -0.648 2.147) 4.006 7.157 ( 3.714 1.938 -2.599) 4.930 7.417 ( 4.034 -7.320 1.720) 8.533 7.665 ( -8.420 -4.764 5.055) 10.915 7.808 ( 3.708 -3.488 -12.087) 13.115 7.872 ( -2.224 -6.716 2.339) 7.452 8.251 ( 6.981 2.185 4.173) 8.422 8.378 ( 8.439 -2.470 0.461) 8.805 8.498 ( 3.809 0.551 -0.173) 3.853 8.555 ( -4.877 -0.633 7.066) 8.609 8.652 ( 2.012 3.803 -2.069) 4.775 9.020 ( -7.869 -1.395 -0.846) 8.036 9.319 ( 0.820 -0.973 -2.903) 3.170 9.497 ( -2.691 1.263 -1.317) 3.252 9.920 ( 3.142 -2.438 1.285) 4.180 10.068 ( -1.619 -0.976 0.310) 1.916 10.303 ( 3.219 0.467 0.544) 3.298 10.361 ( 1.557 1.253 0.923) 2.201 10.436 ( -1.943 -2.399 0.647) 3.154 10.652 ( -3.038 -2.083 -0.877) 3.786 10.684 ( 1.277 -0.842 -0.412) 1.584 10.878 ( -6.953 -6.547 0.897) 9.592 10.963 ( -2.630 -2.207 -0.754) 3.515 11.039 ( 3.705 -1.484 -0.431) 4.014 11.276 ( -4.719 -0.415 -1.060) 4.855 11.316 ( -8.904 0.977 0.681) 8.983 11.676 ( 0.367 1.223 2.220) 2.561 11.739 ( 0.324 2.754 -1.917) 3.371 12.465 ( 2.782 -8.348 0.906) 8.846 12.538 ( 3.666 -4.745 -0.815) 6.051 16.307 ( 3.852 -1.827 -4.302) 6.057 16.350 ( -3.057 -5.437 4.433) 7.653 18.010 ( 6.645 4.975 -0.686) 8.329 18.226 ( -2.779 6.692 2.354) 7.619 18.247 ( -0.098 6.702 -1.635) 6.900 18.723 ( -8.500 -10.720 0.368) 13.685 19.013 ( 6.391 -2.615 0.034) 6.906 19.105 ( 6.681 -1.221 -2.303) 7.171 19.171 ( 7.055 0.924 1.001) 7.185 19.394 ( -4.300 -8.629 3.188) 10.155 19.696 ( -13.933 -5.821 -3.351) 15.468 19.740 ( -11.586 -3.755 -0.530) 12.191 20.501 ( 8.816 13.959 0.855) 16.532 21.088 ( -6.949 5.984 0.345) 9.177 21.602 ( 0.240 2.603 0.134) 2.617 21.708 ( -2.436 -0.652 -0.246) 2.533 21.859 ( 0.861 -6.121 4.359) 7.564 21.987 ( 3.153 -7.179 -5.519) 9.588 22.762 ( -3.003 4.725 6.727) 8.752 22.889 ( 2.821 2.237 -6.935) 7.814 23.172 ( 3.116 2.601 4.513) 6.070 23.309 ( 8.156 -0.151 -3.594) 8.914 ======================= Grid point 115 (40/86) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -0.801 7.012 -7.079) 9.996 0.847 ( -10.366 7.849 1.646) 13.106 0.998 ( -2.668 15.006 -2.084) 15.383 1.446 ( -6.044 9.768 -9.977) 15.214 1.522 ( -17.145 10.924 9.959) 22.638 1.623 ( -7.675 14.345 4.260) 16.818 1.771 ( -4.205 5.727 3.350) 7.855 1.957 ( -14.462 5.777 5.640) 16.563 2.251 ( 3.451 -2.323 -5.622) 6.994 2.302 ( -0.762 -0.219 0.017) 0.793 2.418 ( 0.069 5.071 -5.762) 7.676 2.508 ( -5.406 3.398 -1.428) 6.543 2.663 ( 0.046 4.073 -0.632) 4.122 2.731 ( -6.288 3.244 2.336) 7.452 3.008 ( 5.434 -0.395 -4.117) 6.829 3.090 ( 9.188 0.284 -3.574) 9.863 3.099 ( -2.551 -0.065 5.181) 5.775 3.132 ( -1.482 -1.263 2.523) 3.187 3.449 ( -0.206 -0.620 1.245) 1.406 3.455 ( 4.399 -4.194 -3.313) 6.922 3.505 ( 1.374 0.442 1.592) 2.149 3.602 ( 0.583 -2.962 -2.309) 3.801 3.706 ( 7.707 -4.941 -5.949) 10.918 3.731 ( 7.322 1.704 2.968) 8.082 3.784 ( -3.293 -4.440 5.225) 7.606 4.070 ( 3.703 3.627 -2.592) 5.796 4.172 ( 1.380 -5.632 3.382) 6.713 4.293 ( 5.215 -7.623 1.814) 9.412 4.340 ( 2.746 1.972 0.574) 3.429 4.467 ( -6.903 -2.072 4.220) 8.352 4.495 ( 6.289 4.621 -2.554) 8.212 4.614 ( -1.654 -4.483 -6.578) 8.130 4.780 ( 8.081 0.793 -8.066) 11.445 4.833 ( -5.372 -0.960 4.403) 7.012 4.920 ( -5.596 -3.259 6.009) 8.834 5.017 ( -2.522 -1.371 1.160) 3.096 5.194 ( 3.275 3.076 -3.482) 5.684 5.240 ( 4.746 -0.177 -0.037) 4.749 5.390 ( 10.494 -0.509 -2.378) 10.772 5.484 ( 0.367 2.806 3.056) 4.165 5.607 ( -2.676 3.465 -0.079) 4.379 5.741 ( 0.260 -1.117 -1.399) 1.809 5.858 ( -2.070 -1.084 -0.118) 2.340 5.924 ( 0.859 -0.537 0.712) 1.238 5.995 ( -6.733 -3.954 -0.296) 7.813 6.217 ( -12.398 -5.066 2.690) 13.661 6.326 ( -6.839 2.041 3.371) 7.893 6.423 ( 0.569 2.148 -7.401) 7.727 6.573 ( -4.232 -1.732 -1.537) 4.824 6.784 ( -12.372 -10.281 -3.440) 16.450 7.075 ( -4.149 0.807 4.379) 6.086 7.141 ( 3.780 1.663 -5.589) 6.949 7.584 ( 6.099 -4.725 1.155) 7.802 7.717 ( -6.559 -4.912 6.326) 10.353 7.893 ( 4.187 -5.476 -6.716) 9.624 8.009 ( -2.717 -9.332 -1.009) 9.772 8.268 ( 8.607 3.049 3.716) 9.858 8.457 ( -6.243 -0.089 6.657) 9.127 8.483 ( 1.277 1.907 0.248) 2.308 8.551 ( 1.234 -2.559 -2.614) 3.861 8.627 ( 4.238 0.676 0.747) 4.356 8.947 ( -12.524 0.067 4.341) 13.255 9.386 ( -1.528 -5.444 1.238) 5.789 9.516 ( 1.124 -5.846 -6.136) 8.550 10.020 ( 3.755 -3.976 3.530) 6.509 10.085 ( 1.125 -1.312 -0.601) 1.829 10.278 ( 4.513 3.794 -2.535) 6.418 10.374 ( -1.785 0.487 3.727) 4.162 10.457 ( 1.872 -0.187 0.934) 2.101 10.604 ( -3.734 0.602 -3.754) 5.328 10.736 ( -1.300 -2.304 3.243) 4.185 10.901 ( -0.210 -0.707 0.040) 0.738 11.035 ( -6.024 -6.794 1.069) 9.143 11.088 ( 1.220 -1.169 -1.519) 2.273 11.201 ( -4.675 3.146 0.131) 5.637 11.263 ( -13.495 -4.583 -2.790) 14.523 11.677 ( -1.487 -0.926 4.069) 4.430 11.721 ( 2.265 0.359 -2.806) 3.624 12.617 ( 1.628 -5.523 1.358) 5.916 12.659 ( 3.685 -4.768 -1.873) 6.310 16.387 ( 5.480 -4.410 -4.462) 8.330 16.472 ( -6.920 -10.670 5.490) 13.851 17.964 ( 5.044 5.071 0.119) 7.153 18.070 ( -2.789 7.330 0.028) 7.843 18.107 ( 6.267 9.100 0.269) 11.052 18.790 ( -18.355 -6.474 -1.493) 19.520 19.111 ( 5.475 0.199 1.512) 5.683 19.180 ( 8.103 -2.414 -2.732) 8.886 19.275 ( 8.573 -4.820 0.154) 9.836 19.543 ( -4.865 -8.485 3.358) 10.342 19.693 ( -13.390 -6.296 0.063) 14.796 19.710 ( -9.086 -2.969 -6.947) 11.816 20.282 ( 7.082 15.565 4.873) 17.781 20.874 ( -13.090 7.710 -4.276) 15.782 21.561 ( 0.999 1.746 2.999) 3.611 21.695 ( -2.612 -0.844 -0.182) 2.751 22.017 ( 1.463 -7.651 2.992) 8.345 22.123 ( 3.070 -5.354 -5.075) 7.991 22.673 ( -2.180 3.948 7.738) 8.957 22.843 ( 3.217 3.245 -7.765) 9.009 23.135 ( 3.873 5.655 6.164) 9.218 23.358 ( 10.957 2.538 -7.151) 13.328 ======================= Grid point 116 (41/86) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( -10.092 4.740 11.264) 15.849 0.616 ( -4.055 14.714 14.123) 20.794 0.840 ( -1.519 -2.533 -17.521) 17.768 1.048 ( -18.839 21.792 20.070) 35.109 1.150 ( -13.797 11.160 -15.339) 23.456 1.315 ( 6.727 8.440 -9.137) 14.141 1.735 ( 1.204 0.582 5.268) 5.435 1.902 ( -5.424 -6.056 0.729) 8.163 2.147 ( -5.523 9.620 3.677) 11.686 2.222 ( -0.119 5.441 -6.180) 8.235 2.439 ( -1.909 -4.568 4.805) 6.899 2.523 ( -2.270 -6.456 -1.381) 6.982 2.624 ( 1.592 0.104 1.626) 2.279 2.714 ( -1.138 -4.391 -1.991) 4.954 3.021 ( -0.501 1.711 2.520) 3.087 3.080 ( 1.771 0.942 -2.510) 3.213 3.142 ( 3.197 -3.099 -1.608) 4.735 3.182 ( 0.268 -3.326 -1.348) 3.599 3.403 ( 4.067 6.688 -0.395) 7.837 3.453 ( -3.417 3.403 2.076) 5.250 3.564 ( 6.945 0.234 -3.689) 7.868 3.617 ( -5.745 -0.459 -0.263) 5.770 3.733 ( 6.285 2.348 -0.386) 6.720 3.782 ( 1.607 1.487 -0.473) 2.240 3.842 ( -1.482 -2.453 4.536) 5.366 4.026 ( -1.414 -0.126 -7.457) 7.591 4.297 ( 0.040 -4.289 5.397) 6.894 4.343 ( 2.352 0.337 0.077) 2.377 4.412 ( 1.471 -1.167 3.456) 3.933 4.503 ( 0.097 -7.974 0.966) 8.032 4.563 ( 2.139 -5.583 -4.308) 7.369 4.587 ( -1.868 1.139 -6.467) 6.827 4.824 ( -6.150 -3.347 4.424) 8.283 4.881 ( -1.831 -1.612 -2.276) 3.336 4.950 ( 4.602 -2.403 -2.366) 5.705 5.016 ( -1.677 2.599 -4.239) 5.248 5.137 ( 6.078 4.744 -1.953) 7.954 5.161 ( -7.724 7.295 -0.205) 10.627 5.453 ( 7.080 0.603 -0.171) 7.108 5.490 ( 5.066 1.325 -0.787) 5.296 5.595 ( 6.140 -0.830 0.649) 6.229 5.717 ( -5.097 1.730 0.099) 5.383 5.886 ( -1.326 -3.529 0.372) 3.788 5.915 ( -4.628 -3.297 0.281) 5.689 6.076 ( 5.226 -3.850 1.681) 6.705 6.185 ( -11.234 -0.044 3.775) 11.851 6.234 ( -4.441 2.131 2.879) 5.705 6.371 ( 0.018 1.608 -6.509) 6.705 6.578 ( 0.767 -0.261 -0.188) 0.832 6.804 ( -19.974 -5.256 -8.327) 22.269 7.038 ( -4.861 0.405 5.737) 7.530 7.132 ( 4.220 1.061 -6.622) 7.923 7.699 ( 3.840 -3.048 1.244) 5.058 7.752 ( -2.868 -1.907 1.267) 3.670 8.050 ( 4.391 -6.419 2.189) 8.080 8.150 ( -2.036 -4.815 -2.145) 5.650 8.296 ( 11.462 0.341 0.859) 11.499 8.407 ( -9.038 -3.349 4.620) 10.688 8.457 ( 5.489 4.267 0.038) 6.953 8.552 ( -3.663 -0.374 -1.030) 3.823 8.783 ( 0.411 -11.891 0.780) 11.923 8.858 ( -13.127 -0.971 4.851) 14.028 9.528 ( -7.801 -13.975 11.766) 19.865 9.693 ( 6.088 -10.331 -8.914) 14.942 10.067 ( 3.845 3.625 2.284) 5.756 10.171 ( 2.985 -2.702 -1.971) 4.482 10.234 ( 1.723 4.394 -1.042) 4.834 10.310 ( -4.682 -3.306 0.450) 5.750 10.513 ( 2.321 -3.696 7.443) 8.629 10.607 ( 0.953 -2.184 -3.740) 4.435 10.747 ( -2.879 0.386 4.375) 5.252 10.949 ( 12.116 -0.257 1.860) 12.260 11.063 ( -14.714 -3.015 -4.402) 15.652 11.089 ( -0.186 0.626 -0.787) 1.022 11.117 ( -9.383 0.034 -0.330) 9.389 11.240 ( -12.731 -3.802 -3.610) 13.768 11.692 ( -2.278 -0.873 2.903) 3.792 11.723 ( 1.258 0.650 -1.798) 2.289 12.707 ( 0.681 -2.584 0.809) 2.792 12.741 ( 2.664 -1.112 -2.718) 3.965 16.578 ( 13.859 -9.960 -6.587) 18.294 16.706 ( -23.845 -26.406 10.566) 37.115 17.875 ( -3.941 4.824 2.441) 6.690 17.925 ( -1.270 5.245 -2.949) 6.150 18.041 ( 21.467 9.748 0.549) 23.583 18.588 ( -28.139 11.233 -11.350) 32.354 19.130 ( 5.083 1.624 2.257) 5.794 19.250 ( 3.112 0.188 -4.632) 5.583 19.421 ( 4.422 -3.233 0.539) 5.504 19.535 ( -6.336 3.725 -1.206) 7.448 19.716 ( -1.644 -2.572 -0.722) 3.137 19.773 ( -1.847 -6.652 -0.020) 6.904 20.129 ( -1.115 1.874 8.710) 8.979 20.558 ( -18.676 10.814 -13.252) 25.325 21.608 ( 1.786 -5.557 6.992) 9.108 21.713 ( -2.362 -3.113 -0.051) 3.908 22.156 ( -0.395 -5.103 2.122) 5.541 22.200 ( 4.401 -0.330 -4.653) 6.413 22.635 ( -0.536 -0.693 8.024) 8.071 22.794 ( 2.017 2.125 -5.269) 6.029 23.046 ( 3.896 7.779 4.458) 9.776 23.292 ( 9.907 13.470 -13.872) 21.725 ======================= Grid point 118 (42/86) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 14.199 0.000 14.701) 20.438 0.678 ( -2.297 -0.000 22.279) 22.397 0.838 ( 10.212 0.000 -15.462) 18.530 0.855 ( 17.331 0.000 -8.362) 19.242 0.926 ( 29.747 0.000 7.339) 30.639 1.480 ( 19.742 0.000 -21.240) 28.998 1.779 ( 1.840 0.000 -3.606) 4.048 1.873 ( 4.344 0.000 9.709) 10.637 2.051 ( 4.091 0.000 5.513) 6.865 2.202 ( 7.187 0.000 -3.096) 7.825 2.535 ( 3.162 0.000 4.079) 5.162 2.578 ( 0.235 0.000 2.377) 2.388 2.644 ( -6.069 -0.000 4.322) 7.451 2.701 ( -5.842 -0.000 -0.056) 5.842 2.980 ( 2.393 0.000 5.226) 5.748 3.037 ( -2.542 -0.000 -3.370) 4.221 3.095 ( -0.649 -0.000 -5.744) 5.781 3.220 ( -1.220 -0.000 0.068) 1.221 3.355 ( 3.858 0.000 -1.099) 4.011 3.396 ( 4.074 0.000 -5.298) 6.683 3.457 ( -2.087 -0.000 5.718) 6.088 3.608 ( -5.940 -0.000 2.477) 6.436 3.724 ( 3.676 0.000 -3.083) 4.798 3.771 ( -2.260 -0.000 2.024) 3.034 3.856 ( -4.182 -0.000 5.700) 7.069 4.085 ( 4.415 0.000 -8.681) 9.739 4.290 ( -1.894 -0.000 2.913) 3.475 4.339 ( -4.923 -0.000 2.173) 5.381 4.419 ( -1.001 -0.000 -5.380) 5.472 4.518 ( -3.865 -0.000 1.848) 4.284 4.569 ( 0.658 0.000 -1.016) 1.211 4.606 ( 5.762 0.000 -3.110) 6.548 4.778 ( -2.922 -0.000 4.911) 5.715 4.836 ( -4.083 -0.000 5.624) 6.950 4.853 ( -2.353 -0.000 0.773) 2.476 5.001 ( 2.691 0.000 1.944) 3.319 5.075 ( -1.866 -0.000 -2.560) 3.168 5.293 ( 8.110 0.000 -9.811) 12.729 5.356 ( -6.231 -0.000 -1.812) 6.489 5.420 ( -4.695 -0.000 0.106) 4.696 5.652 ( 1.244 0.000 -2.594) 2.877 5.660 ( -5.937 -0.000 3.986) 7.151 5.922 ( -7.440 -0.000 1.873) 7.672 5.945 ( 0.565 0.000 0.950) 1.105 6.154 ( -2.367 -0.000 5.275) 5.782 6.210 ( 12.990 0.000 2.287) 13.190 6.258 ( 5.715 0.000 -7.218) 9.207 6.291 ( 5.996 0.000 0.628) 6.029 6.745 ( 4.170 0.000 9.260) 10.155 6.937 ( 29.865 0.000 -15.463) 33.631 6.964 ( 0.157 0.000 1.858) 1.865 7.176 ( 3.249 0.000 -4.035) 5.180 7.652 ( -9.148 -0.000 2.448) 9.470 7.803 ( 0.930 0.000 -0.342) 0.991 8.095 ( 3.850 0.000 1.393) 4.094 8.150 ( -11.344 -0.000 -0.632) 11.361 8.320 ( -3.197 -0.000 1.654) 3.600 8.341 ( -13.000 -0.000 0.012) 13.000 8.572 ( 10.602 0.000 -5.555) 11.969 8.612 ( 5.316 0.000 -6.156) 8.134 8.784 ( 4.680 0.000 6.109) 7.696 8.957 ( 6.759 0.000 3.648) 7.680 9.539 ( -15.019 -0.000 8.067) 17.048 9.814 ( -4.608 -0.000 3.605) 5.850 10.015 ( -0.086 -0.000 0.101) 0.133 10.043 ( -1.702 -0.000 0.659) 1.825 10.107 ( -7.710 -0.000 2.427) 8.083 10.365 ( -4.628 -0.000 1.110) 4.759 10.462 ( -0.586 -0.000 8.432) 8.453 10.667 ( 0.019 0.000 1.068) 1.068 10.818 ( 7.033 0.000 -2.922) 7.616 10.925 ( -9.578 -0.000 -2.229) 9.834 11.039 ( 8.502 0.000 5.782) 10.282 11.075 ( 0.136 0.000 -0.010) 0.136 11.227 ( 17.645 0.000 3.203) 17.933 11.555 ( 13.150 0.000 -11.700) 17.602 11.692 ( 4.244 0.000 1.614) 4.540 11.784 ( 12.138 0.000 -4.653) 12.999 12.708 ( -2.795 -0.000 0.198) 2.802 12.715 ( -2.027 -0.000 0.101) 2.030 16.299 ( -11.412 -0.000 9.886) 15.099 17.088 ( -7.978 -0.000 15.135) 17.109 17.800 ( 3.986 0.000 -0.585) 4.029 17.858 ( 3.893 0.000 2.487) 4.619 18.083 ( 12.176 0.000 -1.083) 12.224 18.233 ( 7.166 0.000 -3.724) 8.076 19.137 ( -1.480 -0.000 -1.789) 2.322 19.300 ( -4.580 -0.000 -4.318) 6.294 19.453 ( -0.249 -0.000 0.814) 0.851 19.461 ( -1.269 -0.000 -1.773) 2.181 19.833 ( 3.711 0.000 1.741) 4.099 19.927 ( 25.312 0.000 -11.066) 27.625 20.322 ( 12.558 0.000 1.018) 12.599 20.344 ( 16.989 0.000 5.412) 17.831 21.714 ( -1.643 -0.000 0.709) 1.790 21.799 ( 2.469 0.000 -0.597) 2.540 22.166 ( -1.507 -0.000 -1.904) 2.428 22.223 ( 0.245 0.000 0.458) 0.519 22.664 ( -13.689 -0.000 3.996) 14.260 22.746 ( -3.180 -0.000 1.383) 3.468 22.838 ( -6.155 -0.000 5.429) 8.207 22.942 ( -5.894 -0.000 -1.480) 6.077 ======================= Grid point 119 (43/86) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 13.555 2.972 8.894) 16.483 0.913 ( 14.431 -1.234 -11.562) 18.533 0.995 ( 9.669 -9.318 -6.721) 15.016 1.037 ( 13.145 -9.785 8.973) 18.683 1.359 ( 26.686 -13.803 7.344) 30.929 1.645 ( 17.465 -4.199 -8.579) 19.906 1.810 ( 11.174 1.146 -2.779) 11.571 1.965 ( 8.660 -3.384 2.749) 9.696 2.120 ( 3.897 -1.295 4.572) 6.145 2.287 ( 2.512 -3.548 -0.612) 4.390 2.485 ( -1.237 1.881 -0.957) 2.446 2.584 ( -0.244 -0.861 1.961) 2.156 2.630 ( 7.326 -0.489 -0.664) 7.372 2.695 ( -2.028 -2.529 0.515) 3.282 2.904 ( -5.199 3.262 -0.265) 6.143 3.028 ( 5.296 1.209 -2.139) 5.839 3.148 ( -5.725 -1.937 -2.289) 6.463 3.218 ( -1.946 -0.305 0.654) 2.075 3.328 ( 1.492 -0.316 -2.754) 3.148 3.429 ( -2.138 0.056 2.116) 3.008 3.516 ( -1.938 -0.978 1.212) 2.486 3.591 ( -7.292 -4.083 0.951) 8.411 3.692 ( 0.369 4.401 -1.672) 4.722 3.720 ( -3.624 3.917 0.850) 5.404 3.909 ( 1.013 -5.898 1.813) 6.253 4.060 ( -0.362 2.825 -4.841) 5.617 4.198 ( -13.450 2.923 3.525) 14.209 4.279 ( -5.733 2.591 2.707) 6.849 4.306 ( -1.391 2.959 0.361) 3.290 4.455 ( -4.553 7.190 1.748) 8.688 4.566 ( 3.882 2.884 -5.416) 7.261 4.666 ( 4.667 -1.800 -2.384) 5.541 4.721 ( -2.093 4.431 1.705) 5.189 4.844 ( -0.633 -7.361 0.550) 7.409 4.930 ( -6.019 -4.455 2.336) 7.844 5.005 ( -2.393 0.522 2.663) 3.618 5.070 ( -5.324 -0.746 2.562) 5.955 5.276 ( -6.896 -1.899 -2.087) 7.451 5.334 ( 5.662 3.545 -7.660) 10.163 5.443 ( -3.564 -4.102 -1.632) 5.673 5.599 ( -0.211 0.281 1.259) 1.307 5.694 ( -1.713 -3.215 -0.826) 3.736 5.846 ( -2.618 1.480 2.131) 3.686 5.967 ( -1.094 -0.345 0.936) 1.481 6.132 ( 6.967 1.760 0.057) 7.186 6.269 ( 4.559 0.545 -0.044) 4.592 6.324 ( 11.332 -0.194 2.328) 11.571 6.459 ( 10.347 -5.862 -7.097) 13.849 6.772 ( 2.378 1.697 8.921) 9.387 6.949 ( 0.876 1.805 1.163) 2.319 7.004 ( 20.175 9.952 -11.039) 25.058 7.192 ( 2.762 0.363 -2.774) 3.932 7.564 ( -9.367 1.644 1.912) 9.701 7.796 ( 0.186 1.769 3.929) 4.313 7.985 ( -4.309 6.082 -1.270) 7.561 8.140 ( -5.680 3.298 1.885) 6.833 8.201 ( -0.194 -0.337 -2.606) 2.635 8.326 ( -8.142 -3.029 3.184) 9.252 8.601 ( -0.456 2.340 -2.181) 3.231 8.623 ( 7.491 1.866 -4.812) 9.097 8.779 ( 11.774 5.863 -1.117) 13.200 8.980 ( 6.045 3.715 10.363) 12.559 9.359 ( -2.577 5.598 4.500) 7.631 9.790 ( -2.107 7.591 -4.098) 8.880 9.964 ( -5.170 -3.490 3.271) 7.044 10.012 ( -8.439 -1.453 -0.224) 8.566 10.178 ( -1.972 -2.241 1.143) 3.196 10.324 ( -0.298 -1.150 3.328) 3.533 10.510 ( -0.100 -2.758 4.436) 5.225 10.625 ( 1.797 4.193 -4.132) 6.155 10.854 ( -5.407 -2.372 -3.700) 6.968 10.860 ( 4.703 1.952 -0.435) 5.110 11.053 ( 1.934 0.755 2.556) 3.293 11.152 ( 1.811 -3.510 -0.433) 3.973 11.339 ( 15.787 4.096 5.029) 17.067 11.479 ( 8.897 9.054 -4.896) 13.605 11.721 ( 5.579 3.408 1.904) 6.809 11.791 ( 9.562 6.474 -2.212) 11.757 12.657 ( -4.573 1.801 -0.494) 4.940 12.703 ( -2.751 1.636 -0.401) 3.226 16.261 ( -2.088 0.512 2.718) 3.466 16.846 ( -10.184 14.435 5.554) 18.518 17.830 ( 0.460 -2.222 -0.094) 2.271 17.953 ( 5.769 -4.164 1.674) 7.309 18.016 ( 6.539 -2.097 -1.707) 7.076 18.736 ( 3.014 -19.613 1.948) 19.938 19.103 ( -1.789 1.610 -0.775) 2.529 19.185 ( -6.193 5.162 -1.930) 8.291 19.366 ( -3.446 6.397 -0.395) 7.277 19.525 ( -2.014 -6.044 2.517) 6.849 19.810 ( 1.497 4.914 -1.502) 5.352 19.995 ( 26.300 10.381 -6.223) 28.951 20.331 ( 9.123 3.456 -6.326) 11.627 20.662 ( 18.914 -9.988 10.179) 23.688 21.639 ( -1.621 4.539 -0.653) 4.863 21.730 ( 2.609 3.622 2.592) 5.161 22.094 ( -2.816 5.359 -0.903) 6.121 22.254 ( 0.670 1.164 -4.173) 4.384 22.600 ( -6.346 -1.739 8.186) 10.503 22.734 ( -2.271 -4.074 -4.644) 6.582 22.973 ( -11.355 -13.168 -1.300) 17.436 23.017 ( -9.051 -10.047 2.416) 13.736 ======================= Grid point 120 (44/86) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 19.059 -0.236 -6.843) 20.252 1.036 ( 13.010 -4.141 -2.716) 13.920 1.191 ( 9.956 -6.246 -4.272) 12.505 1.406 ( 7.801 -14.315 11.739) 20.089 1.726 ( 5.890 -7.425 0.873) 9.518 1.805 ( 7.006 1.315 3.550) 7.964 1.939 ( 15.258 -7.255 0.387) 16.900 2.082 ( 11.049 -3.368 -0.014) 11.551 2.262 ( 6.785 -4.724 5.539) 9.951 2.409 ( 6.778 -9.584 -9.498) 15.100 2.448 ( 3.043 2.796 -3.998) 5.750 2.658 ( -1.210 -2.245 2.218) 3.380 2.720 ( 10.252 -2.550 -3.980) 11.289 2.751 ( -2.227 -5.222 1.576) 5.892 2.896 ( 1.041 -4.266 -0.446) 4.414 2.988 ( -2.115 4.021 -1.516) 4.789 3.098 ( -4.201 0.141 0.674) 4.257 3.171 ( -3.077 2.899 0.220) 4.233 3.360 ( -3.465 0.459 2.273) 4.169 3.384 ( -2.857 0.125 -1.357) 3.165 3.504 ( -3.254 -1.332 1.645) 3.881 3.560 ( -1.918 4.751 0.785) 5.184 3.615 ( -0.787 4.389 -0.973) 4.564 3.625 ( -4.912 -1.236 -1.925) 5.419 3.895 ( -5.881 5.236 0.383) 7.883 3.982 ( -3.375 4.100 0.759) 5.364 4.102 ( -10.141 -2.912 0.261) 10.554 4.165 ( -2.234 5.993 -0.165) 6.398 4.302 ( -4.432 -1.654 2.902) 5.550 4.357 ( -0.020 -0.834 2.897) 3.014 4.495 ( 0.928 5.753 -6.892) 9.025 4.625 ( -3.569 0.502 0.094) 3.606 4.723 ( 2.538 -1.806 -0.159) 3.119 4.908 ( -8.937 0.966 0.537) 9.005 4.965 ( 2.268 -1.985 -1.173) 3.234 4.986 ( 0.227 -1.101 6.334) 6.432 5.034 ( -9.078 -1.460 1.980) 9.406 5.264 ( -3.625 -0.927 -0.627) 3.794 5.298 ( 3.584 1.386 -4.437) 5.869 5.447 ( -7.325 -2.063 1.296) 7.720 5.683 ( 4.749 -5.128 -0.276) 6.995 5.732 ( -0.172 -1.274 -1.843) 2.247 5.845 ( -0.280 -1.530 0.470) 1.625 5.939 ( 1.063 2.217 -0.215) 2.468 6.162 ( 6.987 1.871 -0.541) 7.254 6.325 ( 6.095 -1.269 0.256) 6.231 6.404 ( 7.936 0.360 3.279) 8.594 6.570 ( 9.868 1.489 -7.441) 12.448 6.757 ( -2.054 5.307 4.677) 7.366 6.778 ( 14.156 14.585 -4.407) 20.797 7.044 ( 1.630 -3.845 0.432) 4.199 7.185 ( 0.900 1.332 -0.939) 1.862 7.455 ( -7.237 3.154 2.089) 8.166 7.743 ( 2.083 4.922 5.821) 7.902 7.919 ( 3.944 1.563 -4.623) 6.274 7.982 ( -8.210 5.066 1.299) 9.734 8.217 ( -2.222 -1.180 -2.843) 3.796 8.346 ( -6.050 -3.443 1.760) 7.180 8.488 ( -2.179 6.953 -2.648) 7.753 8.575 ( -0.625 5.275 1.302) 5.469 8.820 ( 15.005 0.337 -5.926) 16.136 8.959 ( -0.755 3.112 13.957) 14.320 9.329 ( 5.566 0.196 -2.513) 6.110 9.609 ( -0.537 7.154 -3.686) 8.066 9.942 ( -6.551 0.077 0.129) 6.553 10.014 ( -4.311 -2.426 1.379) 5.135 10.186 ( -0.789 -1.079 2.110) 2.498 10.375 ( -2.751 -2.616 3.253) 4.999 10.520 ( 1.746 4.540 -1.448) 5.075 10.607 ( 1.030 -3.634 -3.115) 4.896 10.833 ( 4.254 4.082 -0.138) 5.898 10.885 ( 0.002 -2.463 0.989) 2.654 11.043 ( -0.788 1.576 -0.241) 1.778 11.176 ( 6.409 6.134 -1.388) 8.979 11.332 ( 11.464 4.561 -0.011) 12.338 11.468 ( 9.750 0.998 1.010) 9.853 11.657 ( 4.522 7.045 1.759) 8.554 11.740 ( 0.244 1.376 -1.245) 1.871 12.569 ( -5.532 2.938 -0.466) 6.281 12.595 ( -3.725 6.583 -0.104) 7.564 16.241 ( -1.291 0.742 0.649) 1.625 16.554 ( -6.298 9.242 0.759) 11.210 17.883 ( -0.646 -3.511 -0.322) 3.584 18.103 ( 4.733 -5.903 1.292) 7.675 18.159 ( 4.997 -6.763 -1.056) 8.475 18.927 ( 1.308 -0.257 1.856) 2.285 19.012 ( -6.085 6.025 0.184) 8.565 19.068 ( -4.758 -0.449 -0.823) 4.849 19.174 ( -6.032 8.066 -1.550) 10.191 19.644 ( 4.629 1.461 11.421) 12.410 19.689 ( -0.710 2.421 -8.047) 8.434 19.993 ( 22.078 8.935 -2.792) 23.980 20.358 ( 3.659 -2.798 -4.586) 6.500 20.970 ( 10.538 -7.544 6.120) 14.332 21.588 ( -0.920 -0.322 -1.519) 1.805 21.729 ( 3.418 0.146 1.264) 3.647 21.942 ( -3.837 6.858 0.279) 7.863 22.154 ( -0.430 7.310 -4.117) 8.401 22.650 ( -2.722 -4.783 7.332) 9.168 22.816 ( 0.064 -5.709 -6.154) 8.395 23.079 ( -9.640 -6.569 2.043) 11.843 23.116 ( -9.659 -7.826 -0.630) 12.447 ======================= Grid point 121 (45/86) ======================= q-point: ( 0.40 0.10 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 15.918 -3.641 -6.315) 17.508 1.192 ( 4.792 -2.825 3.887) 6.786 1.429 ( 9.379 -11.826 0.120) 15.094 1.652 ( 5.587 -2.649 5.732) 8.432 1.851 ( -2.517 -8.152 -0.416) 8.542 1.903 ( 11.545 -4.346 -3.812) 12.912 2.113 ( 4.392 -3.008 2.472) 5.869 2.212 ( 2.460 3.435 -3.765) 5.659 2.378 ( 6.752 -3.403 1.122) 7.644 2.442 ( 6.723 -2.972 0.095) 7.351 2.612 ( -3.566 -1.495 2.789) 4.767 2.655 ( 1.997 0.892 -1.477) 2.639 2.799 ( 5.281 0.889 -4.464) 6.972 2.875 ( -0.611 -6.275 -1.655) 6.518 2.905 ( 2.657 -3.732 1.473) 4.813 3.051 ( 1.966 -3.614 1.048) 4.246 3.063 ( -1.637 -1.372 -0.933) 2.331 3.130 ( -2.008 -1.352 3.311) 4.101 3.230 ( 1.628 5.540 -3.860) 6.946 3.414 ( -3.707 0.201 1.357) 3.953 3.448 ( -4.409 2.075 0.609) 4.911 3.508 ( -1.903 1.754 1.345) 2.916 3.559 ( 1.492 0.024 -1.782) 2.324 3.627 ( -1.809 -2.001 -0.951) 2.860 3.794 ( -4.095 0.513 1.323) 4.334 3.856 ( -6.996 4.057 2.870) 8.582 4.016 ( -3.794 4.399 0.856) 5.871 4.099 ( -5.731 -1.283 -0.552) 5.899 4.238 ( -7.168 2.897 1.385) 7.854 4.403 ( 0.680 -0.449 -7.796) 7.838 4.459 ( 3.691 -3.766 -0.848) 5.341 4.598 ( -5.692 -0.609 3.131) 6.524 4.808 ( 1.680 -0.444 -3.336) 3.762 4.826 ( -5.630 -2.256 1.742) 6.311 4.956 ( -7.960 -0.460 3.812) 8.838 4.997 ( 0.259 -0.505 2.195) 2.267 5.045 ( 2.805 -0.419 -1.193) 3.077 5.259 ( -2.253 -1.421 0.008) 2.664 5.319 ( 2.761 -0.868 1.380) 3.206 5.453 ( -3.814 -3.152 0.022) 4.948 5.699 ( 0.032 3.768 -1.551) 4.075 5.804 ( 0.144 -3.924 -0.626) 3.976 5.891 ( 2.569 -2.223 0.196) 3.403 5.941 ( 2.768 -0.963 0.933) 3.075 6.158 ( 7.254 4.616 -1.761) 8.777 6.355 ( 4.962 4.929 0.446) 7.008 6.448 ( 4.448 2.333 3.066) 5.885 6.487 ( 10.020 11.522 -7.776) 17.136 6.575 ( -1.053 3.362 1.630) 3.881 6.753 ( 1.612 1.083 1.792) 2.643 7.073 ( -3.537 0.921 -0.234) 3.663 7.161 ( -1.567 2.069 1.149) 2.838 7.387 ( -0.014 -0.595 -0.787) 0.987 7.694 ( 9.326 6.562 3.430) 11.908 7.790 ( -5.423 5.534 -0.045) 7.748 7.971 ( 4.704 0.622 -4.175) 6.320 8.190 ( -5.504 -0.297 -3.705) 6.641 8.247 ( -8.257 6.494 0.207) 10.507 8.415 ( -2.594 -0.483 1.891) 3.246 8.505 ( -2.707 -0.922 4.827) 5.611 8.911 ( 8.168 2.811 -3.223) 9.220 8.936 ( 4.856 0.119 4.162) 6.397 9.374 ( 4.477 -0.127 -2.287) 5.029 9.526 ( 0.347 0.638 -0.910) 1.164 9.913 ( -2.431 -1.283 -2.561) 3.757 10.019 ( -2.456 -0.546 2.968) 3.891 10.206 ( -2.611 -1.580 2.249) 3.791 10.381 ( -7.216 -1.236 0.148) 7.322 10.443 ( 4.080 4.409 -0.334) 6.016 10.657 ( 1.183 0.080 0.052) 1.187 10.783 ( 3.910 4.164 -1.839) 6.001 10.919 ( -2.241 -0.514 -0.148) 2.303 10.997 ( 1.199 1.778 1.064) 2.394 11.050 ( 10.746 12.102 -0.652) 16.198 11.370 ( 5.285 0.006 -0.592) 5.318 11.483 ( 10.308 7.332 0.357) 12.654 11.625 ( -0.754 -3.356 1.425) 3.723 11.757 ( -0.385 -3.784 -0.767) 3.880 12.409 ( -4.991 8.669 -0.193) 10.005 12.469 ( -4.628 3.166 -0.103) 5.608 16.218 ( -1.181 0.531 0.196) 1.310 16.391 ( -3.859 4.299 -0.009) 5.777 17.953 ( -0.053 -4.248 -0.567) 4.286 18.218 ( 1.241 -3.366 1.578) 3.919 18.327 ( 4.764 -6.319 -0.927) 7.968 18.789 ( -0.708 10.308 -0.497) 10.344 18.931 ( -3.935 2.479 -0.337) 4.663 18.990 ( -3.447 1.773 2.107) 4.411 19.100 ( -3.995 -3.306 -0.669) 5.229 19.515 ( 2.602 8.635 -2.933) 9.483 19.732 ( 2.939 0.947 5.076) 5.941 19.961 ( 12.857 8.953 -2.393) 15.849 20.485 ( 2.927 -8.284 -1.718) 8.953 21.136 ( 1.617 -4.128 2.564) 5.122 21.606 ( -0.338 -1.712 -0.849) 1.941 21.745 ( 2.984 2.672 0.643) 4.057 21.815 ( -2.308 2.755 1.367) 3.845 21.989 ( -0.731 7.753 -3.748) 8.643 22.747 ( -0.589 -4.856 5.191) 7.133 22.905 ( 0.918 -4.139 -4.942) 6.512 23.102 ( -6.619 -2.757 1.754) 7.381 23.167 ( -7.088 -4.985 -0.528) 8.681 ======================= Grid point 122 (46/86) ======================= q-point: ( 0.50 0.10 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 8.391 -3.193 1.036) 9.038 1.303 ( 2.215 -6.362 -0.374) 6.747 1.626 ( 3.910 1.492 -2.636) 4.946 1.785 ( 6.323 -7.208 4.750) 10.700 1.896 ( -2.183 -0.353 -1.299) 2.565 2.013 ( 8.530 6.793 -8.114) 13.592 2.122 ( 5.445 1.178 0.234) 5.576 2.219 ( -5.981 -5.422 6.542) 10.391 2.376 ( -5.101 -0.405 0.557) 5.147 2.563 ( -3.701 0.068 -0.857) 3.799 2.580 ( -1.636 -0.896 0.039) 1.866 2.674 ( 9.919 -3.543 -0.225) 10.535 2.770 ( 1.360 1.271 -0.933) 2.082 2.929 ( -1.897 -0.788 -3.360) 3.938 2.987 ( 0.908 1.798 3.067) 3.670 3.033 ( -2.230 1.077 -0.334) 2.499 3.115 ( 0.982 -0.658 3.745) 3.927 3.239 ( 1.950 -3.599 3.264) 5.235 3.255 ( 6.721 -4.295 -6.412) 10.234 3.318 ( -4.081 6.007 1.742) 7.468 3.383 ( -1.788 0.640 -1.367) 2.340 3.438 ( 1.390 2.426 -1.054) 2.988 3.621 ( 0.332 -2.430 0.563) 2.516 3.638 ( -1.644 -0.814 0.486) 1.898 3.782 ( -4.129 -2.307 0.857) 4.807 3.807 ( -1.908 -2.824 0.195) 3.414 3.909 ( -2.531 4.370 1.830) 5.372 4.094 ( -5.693 -3.353 0.508) 6.627 4.203 ( -2.343 -3.709 -1.979) 4.813 4.419 ( 0.145 -1.635 -4.062) 4.381 4.504 ( -0.787 0.971 -0.914) 1.549 4.596 ( -3.338 -2.754 1.568) 4.602 4.760 ( -1.551 1.268 -1.260) 2.366 4.871 ( 4.863 -0.491 1.260) 5.047 4.921 ( -10.134 -1.496 1.699) 10.384 5.029 ( 4.297 -0.896 1.173) 4.543 5.098 ( 2.953 -3.753 -1.167) 4.916 5.283 ( 0.721 -1.475 0.287) 1.666 5.362 ( 2.527 -0.040 3.152) 4.040 5.482 ( -4.345 -2.272 0.173) 4.906 5.615 ( 1.842 4.628 -1.091) 5.099 5.841 ( -2.275 -1.620 -2.871) 4.005 5.902 ( -1.329 2.855 1.811) 3.633 6.011 ( 1.614 -3.781 1.287) 4.308 6.075 ( 4.968 8.466 -1.252) 9.896 6.235 ( 5.218 7.859 -5.135) 10.741 6.348 ( -0.173 6.297 4.711) 7.866 6.457 ( 1.216 0.728 -1.441) 2.021 6.557 ( -2.102 -1.154 0.727) 2.506 6.744 ( 0.951 1.761 -0.275) 2.020 7.021 ( -0.937 0.740 -0.107) 1.198 7.081 ( -4.509 2.319 2.615) 5.705 7.426 ( -0.782 -0.480 -0.910) 1.293 7.613 ( 4.327 5.626 0.448) 7.112 7.715 ( -1.186 1.374 -3.525) 3.965 7.876 ( -0.314 8.379 -1.304) 8.485 8.169 ( 2.377 -1.419 -0.382) 2.794 8.179 ( -2.198 -2.789 0.021) 3.551 8.418 ( -1.269 -1.484 2.331) 3.041 8.558 ( -1.687 -3.353 6.565) 7.563 8.867 ( 3.449 4.806 2.052) 6.261 8.982 ( 7.049 1.418 -7.733) 10.560 9.390 ( 2.752 0.332 -0.678) 2.854 9.563 ( -0.171 -2.809 0.424) 2.846 9.923 ( -0.909 -0.892 -2.477) 2.785 10.014 ( -3.436 -0.689 3.167) 4.723 10.213 ( -2.804 -1.159 1.573) 3.417 10.310 ( -2.009 2.632 -2.016) 3.876 10.445 ( -1.436 -2.122 3.443) 4.292 10.621 ( -0.506 3.274 0.990) 3.458 10.705 ( 4.440 6.547 -5.774) 9.794 10.888 ( 2.423 4.517 -0.969) 5.217 10.933 ( 1.935 1.710 0.149) 2.587 11.003 ( 2.438 1.833 3.348) 4.529 11.372 ( 4.853 4.238 -1.932) 6.726 11.435 ( 1.378 1.624 1.533) 2.624 11.702 ( 0.967 -3.267 0.040) 3.407 11.867 ( 1.409 -6.204 -0.035) 6.362 12.208 ( -3.757 7.731 0.032) 8.595 12.389 ( -3.539 1.347 -0.209) 3.793 16.209 ( -0.543 -0.305 0.313) 0.697 16.313 ( -2.070 1.730 -0.333) 2.719 18.036 ( 0.997 -4.042 -0.566) 4.201 18.275 ( -1.005 -2.556 2.498) 3.712 18.436 ( 2.232 -2.047 -1.864) 3.556 18.599 ( -0.299 8.335 -1.406) 8.458 18.890 ( -1.854 -1.835 0.925) 2.768 18.988 ( 0.236 -1.086 3.695) 3.858 19.145 ( -0.814 -2.967 -1.589) 3.463 19.376 ( 0.793 6.328 -3.891) 7.471 19.708 ( 0.178 3.550 3.438) 4.945 19.847 ( 2.767 8.671 -0.938) 9.150 20.675 ( 5.951 -7.154 -0.540) 9.321 21.188 ( -3.228 -2.546 1.170) 4.274 21.632 ( -0.258 -1.342 -0.940) 1.658 21.689 ( 0.655 3.349 0.179) 3.417 21.773 ( 0.281 3.156 2.086) 3.793 21.872 ( 0.136 2.777 -2.935) 4.043 22.837 ( 0.557 -3.623 2.241) 4.296 22.948 ( -0.872 -0.666 -1.101) 1.554 23.114 ( -1.666 -2.457 -0.485) 3.008 23.202 ( -3.901 -3.426 0.124) 5.193 ======================= Grid point 123 (47/86) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 2.443 -3.142 6.505) 7.626 1.413 ( 2.949 -1.413 -4.445) 5.519 1.500 ( 1.399 11.081 -5.597) 12.493 1.742 ( -4.399 7.019 2.009) 8.524 1.923 ( -0.184 6.915 4.563) 8.286 1.949 ( -2.170 -0.272 -3.133) 3.820 2.063 ( 3.883 5.146 -0.519) 6.468 2.291 ( -3.060 -4.125 4.134) 6.593 2.393 ( -2.434 -4.179 -4.221) 6.419 2.509 ( -7.495 0.789 0.966) 7.598 2.658 ( 3.875 -2.163 -1.523) 4.692 2.707 ( 3.580 0.850 0.693) 3.745 2.843 ( -1.234 6.425 -2.983) 7.190 2.882 ( 2.193 -0.111 0.664) 2.294 2.923 ( -0.947 -1.453 1.163) 2.088 2.992 ( -0.097 -1.287 -1.442) 1.936 3.096 ( -2.381 3.091 4.005) 5.592 3.192 ( -4.013 -0.802 4.520) 6.098 3.273 ( -0.210 4.044 1.963) 4.500 3.347 ( 2.949 0.082 -3.947) 4.927 3.367 ( 1.913 -1.041 -3.138) 3.819 3.477 ( 1.243 -2.276 -1.295) 2.898 3.624 ( 1.905 -1.962 -2.609) 3.780 3.673 ( -2.359 -0.881 3.943) 4.679 3.807 ( 0.039 -2.022 0.965) 2.240 3.829 ( -2.656 2.538 2.591) 4.495 3.901 ( 3.695 -5.145 -4.910) 8.014 4.138 ( -1.992 -4.260 0.845) 4.778 4.291 ( 0.682 -5.450 -0.410) 5.507 4.427 ( -3.431 0.555 0.736) 3.553 4.460 ( -0.254 0.124 -0.242) 0.372 4.654 ( 0.551 -3.559 -2.012) 4.125 4.736 ( 1.905 0.841 -0.448) 2.130 4.859 ( -7.271 -0.481 2.203) 7.612 4.931 ( 11.115 1.985 -1.055) 11.340 5.123 ( 5.079 -3.758 2.450) 6.777 5.200 ( -3.075 -5.410 -0.986) 6.301 5.312 ( 0.826 0.225 -0.499) 0.991 5.329 ( 5.882 6.920 1.803) 9.260 5.452 ( -7.084 -0.040 0.891) 7.140 5.575 ( 2.913 0.423 -1.298) 3.217 5.812 ( -4.528 0.961 -1.793) 4.964 5.848 ( -2.426 0.899 0.420) 2.621 5.938 ( -1.480 5.638 1.842) 6.114 6.064 ( -3.690 -1.083 -1.182) 4.023 6.109 ( -1.718 6.566 -1.353) 6.921 6.297 ( 1.961 -1.144 0.011) 2.270 6.447 ( -0.131 0.944 0.687) 1.174 6.551 ( -5.423 -0.871 1.139) 5.609 6.681 ( -1.601 4.337 -1.373) 4.823 7.041 ( 0.793 -1.417 -0.352) 1.661 7.089 ( 2.741 -4.652 3.413) 6.387 7.337 ( -4.796 4.800 0.010) 6.786 7.569 ( -11.714 -0.040 -0.953) 11.753 7.672 ( 5.846 -0.581 -6.294) 8.610 7.798 ( 1.756 1.448 0.763) 2.400 8.251 ( 6.091 -2.043 3.477) 7.305 8.264 ( 6.792 -3.994 -2.276) 8.202 8.456 ( 1.018 -1.684 3.260) 3.808 8.602 ( -2.492 -0.718 8.596) 8.979 8.804 ( 4.384 4.989 -1.229) 6.754 8.969 ( 2.432 1.085 -9.544) 9.909 9.399 ( 2.784 1.727 0.048) 3.276 9.582 ( -2.484 0.376 0.854) 2.654 9.901 ( -1.002 1.396 -1.640) 2.375 10.005 ( -6.556 -1.800 3.294) 7.555 10.236 ( 0.592 -2.535 -0.260) 2.616 10.284 ( -0.201 -1.107 0.345) 1.177 10.475 ( -4.489 -1.279 2.293) 5.200 10.571 ( 0.287 0.557 -3.570) 3.625 10.631 ( 4.437 2.472 -1.471) 5.288 10.819 ( 4.694 4.731 0.922) 6.728 10.955 ( -4.571 -1.847 0.974) 5.026 10.986 ( 2.457 0.781 0.811) 2.702 11.312 ( 1.836 3.897 -1.229) 4.480 11.412 ( -1.241 1.788 0.495) 2.232 11.742 ( 1.202 0.296 0.122) 1.243 11.904 ( -3.409 3.352 -0.385) 4.796 12.159 ( 3.050 -4.704 0.797) 5.663 12.378 ( -1.615 -2.597 -0.561) 3.110 16.225 ( 0.005 -1.516 0.613) 1.636 16.284 ( -0.781 0.181 -0.645) 1.028 18.108 ( 3.269 -1.484 -0.323) 3.605 18.325 ( -0.100 -2.568 2.919) 3.889 18.442 ( -2.207 0.169 -4.829) 5.312 18.470 ( -0.697 4.614 1.444) 4.884 18.960 ( 2.728 -3.767 1.996) 5.061 19.040 ( 2.974 -2.205 2.045) 4.230 19.167 ( 1.418 0.375 -2.484) 2.884 19.291 ( 0.285 2.046 -1.707) 2.679 19.626 ( -6.145 2.788 0.494) 6.766 19.698 ( -5.738 4.801 0.596) 7.506 20.809 ( 9.111 0.079 -0.162) 9.112 21.203 ( -3.685 -1.209 0.748) 3.950 21.632 ( -1.210 0.229 -0.047) 1.232 21.658 ( -0.046 -0.071 -0.472) 0.480 21.742 ( 0.999 -0.151 0.306) 1.056 21.844 ( 0.259 0.535 -1.025) 1.185 22.894 ( 0.439 -0.950 -0.229) 1.071 22.917 ( -1.721 1.701 1.274) 2.735 23.163 ( 1.207 -2.361 0.261) 2.665 23.244 ( -0.192 -2.944 -0.782) 3.052 ======================= Grid point 124 (48/86) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 4.512 17.002 -1.311) 17.639 1.272 ( -3.781 7.407 4.348) 9.384 1.417 ( -4.337 0.317 3.674) 5.692 1.558 ( -3.902 8.340 -1.950) 9.412 1.770 ( -1.690 6.041 -0.980) 6.349 1.918 ( 0.263 -0.586 -8.694) 8.718 1.978 ( 1.392 7.128 3.793) 8.194 2.238 ( -9.875 8.705 -0.923) 13.197 2.379 ( -2.972 2.042 3.124) 4.771 2.464 ( -4.044 -0.431 -2.029) 4.546 2.550 ( -0.466 8.405 5.164) 9.876 2.726 ( 1.880 1.347 -3.124) 3.887 2.798 ( -0.050 0.368 -0.444) 0.579 2.883 ( -5.930 3.363 -1.022) 6.894 2.966 ( 4.593 -3.173 -2.675) 6.190 3.012 ( -1.248 -1.909 2.777) 3.593 3.102 ( 0.377 -0.940 2.481) 2.679 3.152 ( 1.064 1.529 -0.715) 1.995 3.269 ( 5.440 -2.670 -2.758) 6.658 3.351 ( -0.363 1.613 0.206) 1.666 3.391 ( 5.088 -2.841 -2.776) 6.455 3.516 ( -3.847 -2.670 2.474) 5.296 3.661 ( 0.193 -0.601 1.109) 1.276 3.695 ( 4.019 -0.355 -0.788) 4.111 3.758 ( -3.529 1.986 4.848) 6.317 3.887 ( 1.354 -5.639 1.936) 6.114 4.022 ( 5.722 -4.785 -7.005) 10.233 4.213 ( -2.525 -4.396 1.045) 5.176 4.367 ( -2.911 1.604 2.186) 3.978 4.407 ( 3.432 -4.790 -1.713) 6.136 4.485 ( 4.671 0.884 -0.239) 4.760 4.672 ( -0.460 1.035 -0.917) 1.457 4.770 ( 3.866 -1.284 -1.349) 4.291 4.846 ( -5.253 -2.292 2.944) 6.443 4.959 ( 7.638 3.920 -2.181) 8.858 5.098 ( -7.434 7.746 3.067) 11.166 5.235 ( 6.545 -0.291 0.653) 6.584 5.250 ( 2.673 2.067 -1.463) 3.682 5.334 ( 2.051 -0.452 0.208) 2.110 5.474 ( -5.663 -6.985 -0.214) 8.995 5.617 ( 1.444 -0.467 0.797) 1.715 5.736 ( -2.962 0.875 0.305) 3.104 5.831 ( 0.560 0.686 0.022) 0.886 5.867 ( -4.580 0.716 -0.779) 4.701 5.976 ( -5.302 2.115 -0.289) 5.716 6.043 ( -4.541 -1.439 -2.198) 5.246 6.377 ( -1.730 -3.335 3.287) 4.991 6.423 ( -1.020 -0.717 -0.726) 1.443 6.517 ( -4.115 -0.048 -1.047) 4.246 6.568 ( -5.761 3.611 -0.419) 6.813 7.076 ( 0.443 -1.079 1.509) 1.907 7.219 ( 2.981 2.331 -2.615) 4.600 7.281 ( 0.312 -8.507 3.167) 9.083 7.520 ( -7.658 -4.321 -0.437) 8.804 7.737 ( -0.294 -3.412 -0.560) 3.470 7.802 ( 2.354 -0.709 -5.914) 6.405 8.338 ( 6.085 -0.533 5.712) 8.363 8.395 ( 8.363 -3.145 -0.621) 8.956 8.505 ( 1.742 -1.377 2.270) 3.176 8.576 ( -2.859 2.598 6.617) 7.662 8.746 ( 3.641 4.020 -1.604) 5.656 8.951 ( -1.741 -0.374 -7.962) 8.159 9.358 ( 1.858 3.697 0.729) 4.202 9.517 ( -3.999 3.353 -0.679) 5.263 9.898 ( 2.361 -1.629 -1.211) 3.113 9.999 ( -7.101 -2.796 3.084) 8.231 10.293 ( 1.952 -1.894 0.603) 2.785 10.342 ( -0.734 -4.406 0.567) 4.503 10.442 ( 1.919 2.487 -2.286) 3.885 10.566 ( -7.061 -2.921 -0.561) 7.662 10.677 ( 4.167 -1.463 1.117) 4.555 10.802 ( 4.491 0.330 0.362) 4.518 10.917 ( -4.613 0.511 0.174) 4.644 11.029 ( 0.394 -2.540 -0.276) 2.585 11.249 ( -0.847 3.056 -0.063) 3.172 11.347 ( -2.196 3.355 -0.584) 4.052 11.717 ( -0.219 2.487 1.969) 3.180 11.796 ( -1.242 3.922 -1.938) 4.547 12.328 ( 2.902 -8.352 1.696) 9.003 12.452 ( 0.313 -5.529 -1.377) 5.706 16.263 ( -2.102 -2.589 2.896) 4.417 16.292 ( 1.881 -1.279 -2.898) 3.684 18.141 ( 7.444 2.160 -0.390) 7.761 18.332 ( -1.896 4.396 4.030) 6.258 18.349 ( 1.381 4.695 -3.261) 5.881 18.483 ( -7.544 -7.041 -0.425) 10.329 19.038 ( 5.776 -0.562 -0.172) 5.806 19.130 ( 8.850 -2.675 -1.340) 9.342 19.205 ( -3.057 -5.594 3.288) 7.173 19.269 ( 4.458 2.312 -0.723) 5.074 19.525 ( -12.319 -0.592 -1.206) 12.392 19.597 ( -10.428 -0.812 -0.008) 10.459 20.806 ( 11.444 8.412 0.022) 14.203 21.140 ( -6.764 4.307 0.298) 8.024 21.643 ( 0.289 0.515 0.273) 0.650 21.663 ( -0.541 -2.252 -0.354) 2.343 21.778 ( -1.768 -2.539 4.451) 5.420 21.878 ( 2.739 -4.715 -5.365) 7.649 22.834 ( -2.902 3.914 5.059) 7.024 22.920 ( 2.161 0.387 -5.083) 5.536 23.209 ( 0.687 -0.999 3.983) 4.164 23.310 ( 3.322 -3.110 -3.258) 5.597 ======================= Grid point 125 (49/86) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 4.749 16.212 -1.194) 16.935 1.003 ( -6.600 15.590 -1.202) 16.972 1.278 ( 1.265 11.919 -0.393) 11.992 1.451 ( -10.589 1.800 0.746) 10.767 1.661 ( 0.630 5.956 5.273) 7.979 1.810 ( -0.754 9.556 1.284) 9.672 1.902 ( -0.399 8.511 -1.524) 8.655 2.013 ( -5.767 3.796 -1.694) 7.109 2.248 ( -3.896 5.891 5.303) 8.832 2.349 ( -1.754 5.818 -2.003) 6.398 2.493 ( 3.217 3.253 -3.788) 5.939 2.592 ( -3.009 7.668 -3.993) 9.154 2.744 ( -4.132 2.719 3.946) 6.328 2.786 ( 0.526 6.077 -2.691) 6.667 3.020 ( -1.768 -1.754 2.650) 3.636 3.063 ( 4.303 -1.420 -4.258) 6.218 3.125 ( 0.785 -0.777 1.614) 1.956 3.151 ( 1.658 0.822 -0.079) 1.852 3.345 ( -1.950 -3.591 3.011) 5.076 3.407 ( 4.746 -5.094 -5.588) 8.927 3.493 ( 3.315 -3.443 -0.897) 4.863 3.554 ( -1.090 -3.683 -1.075) 3.989 3.681 ( -2.581 -1.692 3.139) 4.402 3.696 ( 3.017 -0.285 -1.691) 3.471 3.802 ( 6.189 -2.893 5.939) 9.052 4.016 ( -5.717 -6.825 1.185) 8.981 4.141 ( 9.666 -2.936 -4.112) 10.906 4.266 ( -4.170 -4.005 3.687) 6.857 4.313 ( -3.224 1.157 2.100) 4.018 4.447 ( 0.114 2.449 -2.862) 3.769 4.559 ( 10.713 -2.588 -4.713) 11.986 4.612 ( -3.601 3.538 2.300) 5.548 4.816 ( 3.583 0.918 -0.000) 3.699 4.854 ( -4.164 1.580 2.733) 5.225 4.887 ( -3.070 -0.448 0.626) 3.165 4.920 ( -1.612 3.697 -3.564) 5.382 5.253 ( -0.067 1.104 1.659) 1.994 5.280 ( 5.268 -0.033 -2.128) 5.682 5.421 ( 8.676 -4.078 -0.189) 9.589 5.511 ( -5.833 -0.620 3.211) 6.687 5.608 ( -3.518 -0.377 0.935) 3.660 5.694 ( -0.706 1.061 -3.601) 3.820 5.860 ( 1.067 -0.670 -0.162) 1.270 5.882 ( 0.493 -4.174 -1.161) 4.360 5.931 ( -0.788 -0.166 1.119) 1.378 6.042 ( -7.625 -3.362 -1.244) 8.426 6.336 ( -4.446 2.662 5.245) 7.373 6.455 ( -0.861 2.941 -5.276) 6.102 6.509 ( -9.847 -6.210 4.466) 12.469 6.524 ( 1.695 -3.673 -3.778) 5.535 7.083 ( -0.501 0.871 2.562) 2.752 7.182 ( 1.574 1.330 -4.869) 5.287 7.489 ( 1.211 -9.157 5.323) 10.661 7.591 ( -0.920 -5.538 -0.226) 5.618 7.799 ( -7.435 -7.094 3.049) 10.719 7.844 ( 6.732 -2.133 -10.368) 12.545 8.391 ( 5.629 1.210 7.429) 9.399 8.460 ( -1.148 2.366 4.211) 4.965 8.506 ( -0.062 0.904 -0.582) 1.077 8.559 ( 4.595 -0.648 -3.105) 5.583 8.708 ( 1.911 2.274 2.899) 4.150 8.889 ( -7.028 2.252 -1.194) 7.476 9.336 ( 1.115 0.564 0.348) 1.297 9.437 ( -1.886 -0.639 -4.524) 4.943 9.977 ( 3.057 -3.401 1.255) 4.742 10.024 ( -3.606 -3.861 1.524) 5.499 10.351 ( 2.208 -2.337 1.446) 3.525 10.385 ( 0.180 1.215 -0.205) 1.245 10.435 ( 4.191 -0.807 -2.008) 4.717 10.542 ( -8.971 -0.895 -1.397) 9.123 10.730 ( 2.382 -1.571 3.065) 4.187 10.870 ( -0.327 -3.930 -1.999) 4.422 10.894 ( 1.005 -0.810 1.372) 1.883 11.064 ( -4.050 -2.239 -1.341) 4.818 11.184 ( -1.226 2.951 1.449) 3.509 11.262 ( -0.584 3.653 -2.388) 4.403 11.674 ( -2.313 1.200 4.463) 5.168 11.746 ( 1.904 1.292 -3.514) 4.200 12.501 ( 0.856 -7.587 2.348) 7.988 12.570 ( 1.409 -6.235 -2.282) 6.787 16.296 ( -5.239 -3.218 5.436) 8.207 16.357 ( 4.561 -3.749 -5.251) 7.901 18.122 ( 4.938 6.559 0.670) 8.237 18.191 ( -1.686 7.260 -0.463) 7.468 18.299 ( 8.087 3.629 0.909) 8.910 18.530 ( -13.878 -5.655 -1.023) 15.021 19.121 ( 6.361 -2.570 0.696) 6.896 19.214 ( 4.562 0.523 -2.164) 5.076 19.296 ( 6.242 -4.038 -0.721) 7.469 19.339 ( 0.513 -6.024 3.470) 6.971 19.475 ( -12.137 -5.473 0.126) 13.314 19.561 ( -9.078 -3.894 -2.537) 10.198 20.681 ( 11.997 14.613 1.861) 18.998 20.939 ( -10.931 8.795 -1.775) 14.142 21.617 ( 1.131 2.225 1.453) 2.888 21.676 ( -1.442 0.318 -0.764) 1.663 21.875 ( -1.491 -7.662 5.599) 9.606 22.012 ( 3.471 -7.184 -7.234) 10.770 22.746 ( -2.873 4.167 7.246) 8.839 22.901 ( 2.703 2.128 -7.513) 8.263 23.227 ( 0.342 0.946 6.830) 6.904 23.387 ( 3.836 -2.539 -5.856) 7.447 ======================= Grid point 126 (50/86) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 0.518 15.753 0.300) 15.764 0.736 ( 1.927 1.559 -9.635) 9.949 1.038 ( 6.389 16.829 4.616) 18.584 1.234 ( -7.861 9.951 -10.054) 16.183 1.461 ( -2.367 21.210 9.089) 23.196 1.568 ( 1.405 13.439 2.264) 13.701 1.795 ( -4.008 5.155 5.739) 8.693 1.820 ( 1.178 2.067 5.351) 5.856 2.228 ( -6.658 3.034 1.291) 7.430 2.319 ( 7.022 -1.062 -7.179) 10.098 2.415 ( 1.380 5.196 -2.623) 5.982 2.460 ( 2.435 0.329 -5.538) 6.059 2.648 ( -3.709 2.548 2.222) 5.018 2.702 ( 4.619 4.743 -2.206) 6.978 3.019 ( -7.408 -1.036 3.537) 8.274 3.077 ( -0.487 3.712 2.473) 4.487 3.115 ( 2.114 -2.341 -0.463) 3.188 3.191 ( 3.242 -1.067 -2.480) 4.219 3.418 ( -2.694 -3.319 2.718) 5.066 3.513 ( 3.219 -0.874 -2.028) 3.904 3.548 ( 2.329 -4.237 -1.847) 5.176 3.570 ( -3.306 1.226 -1.798) 3.958 3.705 ( -5.929 -5.060 3.124) 8.397 3.812 ( 9.004 -3.917 -5.151) 11.088 3.891 ( 4.464 1.964 5.123) 7.073 3.986 ( -7.798 1.556 -3.761) 8.796 4.248 ( 3.679 -1.574 4.730) 6.195 4.315 ( -9.553 -6.654 3.008) 12.024 4.353 ( 4.072 -4.575 0.326) 6.133 4.415 ( 1.222 1.583 0.283) 2.019 4.508 ( -2.526 0.914 -0.731) 2.784 4.639 ( 6.750 1.679 -8.515) 10.995 4.691 ( -13.215 0.962 9.515) 16.312 4.878 ( 2.240 -0.259 -4.397) 4.942 4.941 ( 3.894 -2.481 -1.841) 4.971 4.979 ( 7.622 -6.876 -4.327) 11.140 5.212 ( -5.984 3.146 3.338) 7.540 5.247 ( 0.560 3.730 0.487) 3.803 5.485 ( -2.893 -0.635 1.541) 3.339 5.542 ( 4.167 1.745 -2.941) 5.390 5.603 ( -0.649 -2.691 3.004) 4.085 5.685 ( 2.028 -0.705 -4.379) 4.877 5.857 ( -3.485 1.831 0.843) 4.026 5.888 ( 4.542 0.190 -1.945) 4.945 6.024 ( -1.827 -3.731 2.638) 4.921 6.071 ( 2.779 -5.819 -1.452) 6.610 6.264 ( -2.989 2.604 5.937) 7.139 6.394 ( -0.509 1.036 -4.731) 4.870 6.565 ( -7.009 -4.572 0.534) 8.385 6.606 ( 5.038 -2.540 -2.158) 6.041 7.049 ( -2.054 2.219 3.991) 5.007 7.167 ( 2.811 0.918 -6.073) 6.755 7.635 ( -4.706 -6.197 5.247) 9.385 7.680 ( 2.591 -3.168 0.558) 4.131 7.911 ( -3.794 -8.164 0.642) 9.025 7.983 ( 6.065 -9.501 -5.722) 12.641 8.342 ( -7.682 4.181 6.046) 10.632 8.441 ( 10.558 2.308 -1.016) 10.856 8.495 ( -2.004 -0.108 1.437) 2.468 8.568 ( 2.784 2.254 -4.615) 5.842 8.718 ( -4.060 -2.110 9.010) 10.105 8.784 ( -2.947 2.815 2.527) 4.795 9.331 ( -6.347 -3.109 6.647) 9.702 9.546 ( 6.992 -8.794 -11.111) 15.801 10.053 ( -1.440 -2.689 4.413) 5.365 10.093 ( -0.231 -5.019 0.635) 5.064 10.339 ( 1.932 4.668 -0.531) 5.080 10.341 ( -4.005 4.893 -0.732) 6.365 10.493 ( 3.078 -2.565 0.635) 4.057 10.529 ( -0.953 -4.611 -2.516) 5.339 10.788 ( 4.534 -0.349 5.916) 7.462 10.893 ( -6.905 -2.698 -3.536) 8.213 10.985 ( 6.421 -3.070 2.326) 7.488 11.041 ( -4.927 -1.530 -2.302) 5.649 11.134 ( 0.326 2.305 1.769) 2.923 11.204 ( 2.159 2.311 -4.996) 5.913 11.663 ( -2.596 -0.883 4.484) 5.256 11.742 ( 1.663 0.378 -2.622) 3.128 12.633 ( -0.421 -5.484 1.912) 5.823 12.685 ( 0.745 -5.058 -2.612) 5.741 16.331 ( -9.633 -4.889 8.289) 13.616 16.499 ( 8.270 -8.162 -6.328) 13.231 17.986 ( -2.001 7.647 2.663) 8.341 18.043 ( 1.506 7.567 -2.235) 8.033 18.325 ( 2.126 4.305 5.503) 7.302 18.472 ( -2.737 0.230 -7.190) 7.697 19.168 ( -0.705 -0.002 2.474) 2.573 19.240 ( 0.389 -1.344 -4.015) 4.252 19.413 ( -4.702 -4.014 1.509) 6.364 19.444 ( 7.123 -3.752 -1.427) 8.177 19.573 ( -4.404 -10.319 1.958) 11.389 19.627 ( 2.701 -6.861 -2.890) 7.919 20.455 ( 7.702 17.832 8.256) 21.106 20.647 ( -8.325 12.061 -8.868) 17.129 21.602 ( 1.780 0.728 3.864) 4.316 21.659 ( -1.398 -0.611 -1.325) 2.021 22.025 ( -2.144 -7.729 4.206) 9.056 22.152 ( 3.697 -5.929 -7.101) 9.962 22.670 ( -2.807 3.138 8.555) 9.535 22.850 ( 2.116 3.295 -7.857) 8.779 23.198 ( -0.491 4.221 8.629) 9.619 23.409 ( -0.018 1.327 -10.483) 10.567 ======================= Grid point 129 (51/86) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 9.243 0.000 13.396) 16.276 0.948 ( 13.202 0.000 4.832) 14.058 0.999 ( 16.979 0.000 -6.435) 18.157 1.103 ( 21.544 0.000 -10.021) 23.760 1.506 ( 33.946 0.000 6.625) 34.586 1.741 ( 18.583 0.000 -9.798) 21.007 1.918 ( 14.687 0.000 -8.428) 16.933 2.013 ( 12.011 0.000 3.365) 12.473 2.167 ( 7.777 0.000 2.686) 8.227 2.280 ( 2.477 0.000 2.883) 3.801 2.461 ( -11.951 -0.000 4.285) 12.696 2.540 ( -11.568 -0.000 1.872) 11.719 2.632 ( 4.148 0.000 -0.209) 4.153 2.694 ( 7.382 0.000 -1.105) 7.465 2.953 ( -3.451 -0.000 -2.356) 4.179 3.019 ( -6.229 -0.000 -0.405) 6.242 3.110 ( 9.028 0.000 -3.487) 9.678 3.190 ( -2.392 -0.000 -1.771) 2.976 3.398 ( -0.106 -0.000 2.723) 2.725 3.421 ( 0.957 0.000 -5.052) 5.142 3.461 ( 0.465 0.000 3.879) 3.907 3.508 ( -7.742 -0.000 2.974) 8.294 3.726 ( -1.567 -0.000 -3.605) 3.931 3.749 ( -0.677 -0.000 2.327) 2.424 3.841 ( 1.939 0.000 1.147) 2.253 4.029 ( -5.445 -0.000 -2.767) 6.108 4.130 ( -15.018 -0.000 3.435) 15.406 4.262 ( -5.347 -0.000 3.637) 6.467 4.458 ( -4.811 -0.000 4.951) 6.903 4.464 ( -1.644 -0.000 -6.407) 6.614 4.550 ( 2.533 0.000 -4.657) 5.301 4.706 ( 5.882 0.000 -7.905) 9.853 4.707 ( -4.741 -0.000 1.475) 4.965 4.717 ( -10.249 -0.000 3.747) 10.913 4.845 ( -1.645 -0.000 1.774) 2.419 4.989 ( -4.120 -0.000 2.429) 4.783 5.091 ( 1.135 0.000 6.244) 6.346 5.191 ( -5.672 -0.000 -4.220) 7.070 5.320 ( -8.495 -0.000 0.457) 8.507 5.432 ( 7.211 0.000 -8.582) 11.209 5.592 ( -4.265 -0.000 5.281) 6.788 5.636 ( -0.963 -0.000 -2.322) 2.514 5.842 ( -2.783 -0.000 1.305) 3.074 5.945 ( -0.862 -0.000 0.688) 1.103 6.183 ( 2.957 0.000 2.136) 3.647 6.354 ( 11.702 0.000 -7.464) 13.879 6.440 ( 10.391 0.000 0.712) 10.416 6.442 ( 11.489 0.000 -1.315) 11.564 6.815 ( 0.990 0.000 8.545) 8.602 6.921 ( -3.262 -0.000 4.556) 5.603 7.217 ( 3.603 0.000 -1.279) 3.823 7.285 ( 18.669 0.000 -14.439) 23.601 7.493 ( -10.996 -0.000 1.696) 11.126 7.796 ( -3.149 -0.000 4.116) 5.183 7.987 ( -7.142 -0.000 -6.244) 9.486 8.126 ( -13.668 -0.000 1.706) 13.774 8.208 ( 7.918 0.000 1.887) 8.139 8.251 ( -6.831 -0.000 6.036) 9.115 8.631 ( 1.452 0.000 -5.480) 5.669 8.697 ( 7.725 0.000 -4.050) 8.722 8.920 ( 9.676 0.000 -0.178) 9.678 9.108 ( 7.805 0.000 0.266) 7.809 9.417 ( -5.425 -0.000 5.250) 7.549 9.757 ( -5.047 -0.000 3.441) 6.108 9.922 ( -8.698 -0.000 -0.200) 8.700 9.953 ( -6.894 -0.000 -0.232) 6.898 10.117 ( 2.675 0.000 0.849) 2.806 10.318 ( -1.745 -0.000 3.797) 4.179 10.515 ( 2.701 0.000 5.391) 6.030 10.718 ( 5.757 0.000 0.805) 5.813 10.733 ( -8.157 -0.000 -8.817) 12.012 10.917 ( 5.041 0.000 -1.195) 5.181 11.074 ( -0.240 -0.000 -0.309) 0.391 11.123 ( 2.587 0.000 2.444) 3.558 11.434 ( 2.429 0.000 4.681) 5.274 11.574 ( -1.482 -0.000 -3.980) 4.247 11.907 ( 17.877 0.000 7.520) 19.395 11.997 ( 15.341 0.000 -8.510) 17.543 12.653 ( -3.907 -0.000 0.124) 3.909 12.672 ( -3.427 -0.000 -0.111) 3.428 16.255 ( -1.794 -0.000 0.122) 1.798 16.847 ( -23.709 -0.000 8.285) 25.115 17.902 ( 9.057 0.000 -1.100) 9.124 17.956 ( 6.704 0.000 1.859) 6.957 18.279 ( 9.178 0.000 3.363) 9.775 18.305 ( 4.323 0.000 -2.304) 4.899 19.088 ( -4.975 -0.000 -0.891) 5.054 19.164 ( -9.231 -0.000 -0.615) 9.251 19.412 ( -3.204 -0.000 -1.550) 3.559 19.489 ( 3.371 0.000 3.064) 4.556 19.869 ( 0.903 0.000 1.436) 1.696 20.275 ( 23.811 0.000 -20.637) 31.510 20.546 ( 15.016 0.000 3.610) 15.444 20.707 ( 19.583 0.000 12.814) 23.403 21.691 ( -1.655 -0.000 0.398) 1.703 21.845 ( 3.599 0.000 -0.002) 3.599 22.130 ( -1.169 -0.000 -4.822) 4.961 22.206 ( -3.863 -0.000 4.960) 6.287 22.488 ( -9.657 -0.000 4.033) 10.465 22.687 ( -4.804 -0.000 2.195) 5.281 22.783 ( -4.221 -0.000 3.189) 5.290 22.797 ( -9.231 -0.000 -5.795) 10.899 ======================= Grid point 130 (52/86) ======================= q-point: ( 0.30 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 16.507 -0.300 5.076) 17.273 1.097 ( 14.840 -1.300 -9.284) 17.553 1.190 ( 13.778 -5.917 2.985) 15.290 1.291 ( 16.700 -4.926 -0.852) 17.433 1.735 ( 12.587 1.369 0.825) 12.688 1.890 ( 16.156 -4.222 2.925) 16.953 2.006 ( 15.016 1.825 -2.205) 15.287 2.136 ( 3.991 1.821 4.044) 5.966 2.252 ( 10.714 -4.971 2.844) 12.149 2.314 ( 7.261 -3.173 -7.239) 10.732 2.416 ( -1.720 -4.271 -0.492) 4.630 2.567 ( -9.026 -8.949 2.139) 12.890 2.648 ( 0.845 0.848 -0.293) 1.233 2.779 ( 8.233 -0.482 -2.061) 8.501 2.862 ( 2.526 0.752 -1.152) 2.877 3.026 ( -7.250 -1.012 0.796) 7.363 3.101 ( 3.372 3.539 -3.709) 6.137 3.179 ( -2.383 0.750 2.235) 3.352 3.353 ( 1.925 2.917 -3.339) 4.833 3.411 ( -2.278 -0.218 2.496) 3.386 3.448 ( -7.021 0.424 3.641) 7.921 3.517 ( -0.985 -2.677 -1.392) 3.173 3.654 ( -2.853 4.558 -3.042) 6.178 3.719 ( 2.605 3.894 1.754) 5.002 3.910 ( -3.893 -1.323 0.210) 4.117 3.964 ( -11.343 -0.401 2.853) 11.703 4.012 ( -5.449 1.408 -2.068) 5.996 4.222 ( -2.665 1.441 0.606) 3.089 4.296 ( -2.862 6.579 3.071) 7.805 4.382 ( -4.610 2.380 1.178) 5.320 4.562 ( -1.982 2.088 -7.853) 8.364 4.606 ( -6.450 1.257 0.289) 6.577 4.717 ( -2.540 0.352 0.718) 2.663 4.814 ( -4.523 -6.268 -0.177) 7.732 4.870 ( 1.885 -3.987 -2.020) 4.851 4.973 ( -3.155 -1.130 3.390) 4.767 5.042 ( -1.596 4.447 6.740) 8.231 5.182 ( -5.821 -2.800 -1.571) 6.648 5.274 ( -9.267 -2.832 -0.924) 9.734 5.418 ( 2.166 3.347 -3.022) 5.003 5.621 ( 0.187 -4.009 1.145) 4.173 5.676 ( 1.308 -3.739 -1.703) 4.312 5.830 ( 0.325 -0.285 -0.835) 0.940 5.955 ( -0.842 -0.803 1.879) 2.210 6.217 ( 4.810 -0.005 0.146) 4.812 6.389 ( 9.347 2.299 -3.562) 10.264 6.485 ( 7.531 0.619 0.970) 7.619 6.608 ( 9.871 -4.208 -4.012) 11.456 6.811 ( 0.271 3.265 6.220) 7.030 6.928 ( -1.986 -1.898 2.637) 3.808 7.218 ( 7.011 6.348 -3.885) 10.225 7.237 ( 5.389 7.414 -4.722) 10.310 7.438 ( -5.989 0.542 1.413) 6.178 7.777 ( -6.047 -0.215 5.028) 7.867 7.921 ( -0.959 -0.194 -5.903) 5.983 8.006 ( -9.992 2.847 2.525) 10.692 8.189 ( -1.707 0.007 0.822) 1.895 8.295 ( 1.537 -0.604 3.944) 4.276 8.569 ( -1.618 5.298 -4.343) 7.039 8.704 ( 5.049 4.385 -4.708) 8.179 8.972 ( 13.527 2.626 -4.132) 14.385 9.064 ( -2.576 6.061 12.275) 13.930 9.381 ( 4.102 1.122 -0.892) 4.345 9.698 ( -6.895 4.358 -2.160) 8.438 9.882 ( -6.249 -1.204 -2.984) 7.029 9.908 ( -4.180 -3.062 4.175) 6.655 10.173 ( 0.409 -1.747 1.716) 2.483 10.328 ( -1.189 -1.080 3.324) 3.692 10.551 ( 2.719 -1.273 1.331) 3.284 10.608 ( -0.937 3.662 -5.303) 6.513 10.832 ( 3.860 -4.156 0.930) 5.747 10.930 ( 3.957 2.200 -0.392) 4.544 11.058 ( -0.793 1.063 -0.816) 1.557 11.183 ( 1.900 -3.015 0.620) 3.618 11.464 ( -0.181 -1.928 1.841) 2.672 11.542 ( 2.014 1.532 -2.032) 3.245 11.866 ( 11.143 13.364 1.789) 17.491 12.018 ( 16.554 11.144 -0.428) 19.960 12.564 ( -6.534 2.652 -0.560) 7.074 12.653 ( -3.470 2.120 0.018) 4.067 16.234 ( -2.743 0.146 -0.455) 2.785 16.619 ( -18.093 5.678 3.372) 19.260 17.909 ( 7.974 3.618 -0.317) 8.762 18.074 ( 7.086 -3.734 0.791) 8.049 18.141 ( 9.939 1.434 -0.398) 10.050 18.715 ( -3.823 -17.080 1.086) 17.537 19.025 ( -6.682 1.500 -0.779) 6.892 19.074 ( -7.361 2.200 0.001) 7.683 19.302 ( -3.758 7.944 -1.108) 8.858 19.553 ( 1.898 -4.098 2.212) 5.029 19.832 ( 1.334 5.030 4.012) 6.571 20.337 ( 18.249 6.149 -16.907) 25.625 20.506 ( 16.352 11.191 3.620) 20.143 20.973 ( 13.602 -5.205 10.362) 17.873 21.614 ( -0.890 4.528 -1.409) 4.825 21.781 ( 2.408 3.559 2.186) 4.821 22.042 ( -2.446 6.198 -2.919) 7.275 22.228 ( -2.222 0.728 -1.770) 2.933 22.531 ( -5.428 -6.654 5.224) 10.051 22.682 ( -2.364 -4.965 -1.808) 5.789 22.813 ( -8.852 -10.238 -1.136) 13.582 22.878 ( -8.726 -9.077 0.979) 12.629 ======================= Grid point 131 (53/86) ======================= q-point: ( 0.40 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 21.771 2.292 -6.557) 22.852 1.208 ( 9.346 -2.709 0.411) 9.739 1.368 ( 13.180 -2.982 -3.326) 13.917 1.549 ( 2.868 -11.001 10.318) 15.353 1.773 ( 1.823 0.322 0.525) 1.925 1.919 ( 5.111 0.921 1.602) 5.435 2.111 ( 4.448 -1.704 1.337) 4.947 2.251 ( 5.977 -2.677 -0.902) 6.611 2.375 ( 11.315 -5.697 -3.338) 13.101 2.487 ( 5.233 2.878 -6.275) 8.662 2.528 ( 3.108 -6.661 2.811) 7.869 2.630 ( -3.834 -5.345 4.433) 7.932 2.715 ( 3.191 -7.231 -4.054) 8.883 2.824 ( 6.045 -1.448 -2.191) 6.591 2.935 ( -2.967 3.495 0.572) 4.620 2.995 ( 8.520 -4.207 -1.513) 9.621 3.061 ( -1.950 0.646 0.969) 2.271 3.124 ( -1.147 2.132 2.296) 3.337 3.320 ( -3.820 4.839 -0.337) 6.174 3.340 ( -1.498 -1.560 -0.909) 2.346 3.450 ( -5.362 -2.528 3.314) 6.792 3.526 ( -2.306 5.360 0.075) 5.835 3.553 ( -0.186 -1.565 -2.916) 3.315 3.657 ( 5.261 4.818 -0.014) 7.133 3.789 ( -7.408 2.002 2.112) 7.959 3.898 ( -7.109 5.475 1.250) 9.059 3.990 ( -2.887 -3.579 -1.724) 4.911 4.103 ( -5.770 5.998 0.919) 8.374 4.218 ( -8.405 1.466 2.674) 8.942 4.386 ( 1.205 -2.756 0.024) 3.008 4.459 ( 0.456 3.972 -9.159) 9.993 4.566 ( -4.265 -0.205 1.847) 4.652 4.709 ( -5.219 -4.139 1.033) 6.741 4.814 ( -1.952 0.707 -2.505) 3.253 4.895 ( -6.246 0.844 3.013) 6.986 4.988 ( -2.184 -0.322 4.304) 4.837 5.047 ( 3.914 -2.991 0.200) 4.930 5.180 ( -5.879 -3.572 0.826) 6.929 5.302 ( -3.433 -5.261 -2.197) 6.655 5.380 ( 0.647 1.194 1.428) 1.971 5.701 ( -1.688 -4.075 -2.226) 4.940 5.737 ( -0.163 -1.202 0.805) 1.456 5.870 ( 4.614 -2.296 -1.986) 5.523 5.963 ( 1.017 0.139 1.795) 2.068 6.250 ( 5.453 0.982 -1.020) 5.633 6.411 ( 4.138 0.838 0.045) 4.222 6.529 ( 6.838 0.953 -0.398) 6.915 6.684 ( 5.368 5.071 0.048) 7.385 6.721 ( -2.843 3.395 3.053) 5.379 6.871 ( 0.698 10.056 -4.109) 10.885 7.093 ( 3.352 4.388 -1.290) 5.671 7.208 ( 2.258 2.132 0.941) 3.244 7.367 ( -3.925 1.064 0.441) 4.091 7.738 ( -7.993 -0.280 -0.347) 8.005 7.906 ( 1.446 3.289 3.387) 4.938 7.967 ( 3.024 -3.297 -0.891) 4.561 8.178 ( -1.794 1.692 0.884) 2.620 8.285 ( -1.667 2.824 -0.516) 3.320 8.424 ( -4.150 4.292 -2.590) 6.508 8.569 ( -0.624 8.693 -2.357) 9.029 8.989 ( -1.951 2.165 14.334) 14.627 9.041 ( 14.888 1.616 -7.206) 16.619 9.411 ( 5.090 0.004 -1.977) 5.460 9.561 ( -3.502 4.013 -1.792) 5.620 9.854 ( -2.844 -1.311 -2.907) 4.272 9.959 ( -4.385 -3.493 3.181) 6.446 10.188 ( -0.572 0.067 2.019) 2.099 10.319 ( -4.730 0.147 0.837) 4.805 10.548 ( 3.097 2.779 -3.129) 5.207 10.626 ( 2.274 -3.440 0.294) 4.135 10.872 ( 0.130 3.048 1.612) 3.450 10.939 ( 4.919 1.803 -0.851) 5.308 11.020 ( -0.226 0.187 0.673) 0.734 11.243 ( 3.078 -0.463 -0.968) 3.260 11.504 ( 3.319 0.517 -0.531) 3.400 11.560 ( 8.915 1.466 1.126) 9.105 11.705 ( 0.224 5.507 0.357) 5.524 11.849 ( 11.998 16.755 -0.026) 20.608 12.463 ( -7.061 2.442 -0.344) 7.480 12.531 ( -4.397 6.624 -0.165) 7.952 16.209 ( -2.541 -0.010 -0.482) 2.586 16.420 ( -10.094 3.688 1.153) 10.808 17.928 ( 5.623 0.063 -0.353) 5.634 18.178 ( 2.576 -2.546 0.362) 3.640 18.272 ( 10.317 -5.026 -0.100) 11.476 18.893 ( -4.073 -4.570 0.049) 6.122 18.914 ( -5.152 3.432 0.521) 6.212 18.999 ( -6.331 -0.619 0.269) 6.367 19.083 ( -3.539 10.056 -0.238) 10.664 19.605 ( -4.163 0.680 -9.618) 10.502 19.784 ( 4.422 2.075 15.807) 16.545 20.266 ( 13.127 10.734 -10.157) 19.766 20.489 ( 15.110 3.423 0.761) 15.511 21.115 ( 4.346 -0.756 4.822) 6.535 21.576 ( 0.151 -0.780 -0.895) 1.197 21.780 ( 1.667 -0.574 0.436) 1.816 21.887 ( -1.938 6.692 -0.801) 7.013 22.120 ( -1.941 7.009 -2.209) 7.601 22.643 ( -1.466 -6.648 5.035) 8.467 22.793 ( 0.032 -6.834 -4.221) 8.032 22.935 ( -8.199 -8.789 -0.325) 12.024 22.972 ( -9.029 -8.108 1.410) 12.217 ======================= Grid point 132 (54/86) ======================= q-point: ( 0.50 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 17.433 1.070 -7.504) 19.009 1.263 ( 1.589 0.940 4.871) 5.209 1.580 ( 9.574 -8.553 -4.018) 13.452 1.742 ( 1.607 -6.137 7.550) 9.861 1.803 ( -2.318 -3.439 1.076) 4.284 2.023 ( 2.818 -5.938 0.174) 6.575 2.181 ( 4.661 -1.989 -1.355) 5.246 2.239 ( 2.738 5.349 -0.945) 6.083 2.384 ( 0.078 5.855 -2.868) 6.520 2.531 ( -2.515 -1.154 -1.450) 3.124 2.612 ( -0.495 1.997 0.467) 2.109 2.652 ( 2.113 -3.957 5.010) 6.725 2.842 ( 6.138 1.248 -4.472) 7.696 2.880 ( -1.500 -1.364 -1.308) 2.413 2.923 ( -0.504 -5.077 0.826) 5.168 3.012 ( -0.704 0.031 1.436) 1.599 3.139 ( 0.114 -1.850 3.546) 4.002 3.188 ( 10.523 -5.358 0.382) 11.815 3.258 ( 4.117 -0.064 -5.083) 6.541 3.345 ( -5.607 1.443 -0.787) 5.843 3.402 ( -0.367 1.303 1.619) 2.110 3.470 ( -3.203 0.910 2.814) 4.360 3.538 ( -3.666 -1.546 -1.792) 4.363 3.692 ( 9.611 -0.357 -3.275) 10.160 3.722 ( -7.451 4.547 -0.188) 8.731 3.762 ( -3.713 -1.352 4.350) 5.877 3.953 ( -4.614 3.631 1.501) 6.061 4.028 ( -3.582 1.032 -0.081) 3.729 4.110 ( -7.608 -1.897 0.914) 7.894 4.399 ( 3.292 -0.226 -6.829) 7.584 4.465 ( -4.428 -2.010 -1.440) 5.072 4.546 ( -2.904 -0.779 2.749) 4.074 4.718 ( -7.928 -1.844 1.854) 8.348 4.826 ( 1.008 -2.684 -4.702) 5.507 4.866 ( 0.239 -1.422 2.556) 2.934 4.991 ( -4.197 -2.521 4.062) 6.361 5.121 ( 5.673 -0.953 -1.254) 5.887 5.239 ( -0.233 -3.873 0.161) 3.883 5.378 ( -1.454 -4.146 0.001) 4.393 5.390 ( 1.661 -0.805 2.714) 3.283 5.702 ( 0.470 2.521 -0.815) 2.691 5.754 ( -4.976 -3.141 -1.727) 6.133 5.929 ( 1.004 0.124 1.428) 1.750 5.988 ( 2.339 -0.975 -0.876) 2.682 6.243 ( 5.216 4.554 -1.060) 7.005 6.408 ( 2.519 3.042 -0.952) 4.062 6.508 ( -2.433 9.795 7.458) 12.549 6.539 ( 0.986 3.665 -1.363) 4.032 6.593 ( 5.668 10.576 -6.901) 13.842 6.752 ( -2.428 -0.064 1.185) 2.702 7.039 ( -0.761 2.253 2.134) 3.195 7.138 ( -0.583 5.126 1.016) 5.258 7.389 ( 1.061 -2.446 -3.334) 4.269 7.640 ( -11.827 1.809 -0.505) 11.976 7.884 ( 11.178 8.460 0.560) 14.030 8.034 ( 2.999 3.966 -0.722) 5.024 8.110 ( -3.165 -0.417 -1.165) 3.398 8.152 ( -3.082 1.459 2.052) 3.980 8.387 ( -0.974 -1.228 1.138) 1.937 8.489 ( -1.220 -1.892 -0.716) 2.363 8.972 ( 1.423 2.539 8.155) 8.659 9.091 ( 10.924 3.337 -6.710) 13.247 9.430 ( 3.464 1.198 -0.428) 3.690 9.514 ( -1.088 -1.491 -0.683) 1.968 9.871 ( -0.797 -2.097 -3.057) 3.791 9.976 ( -5.045 -1.469 2.562) 5.846 10.184 ( -1.527 -0.403 1.674) 2.301 10.271 ( -5.631 0.040 -0.585) 5.661 10.521 ( 5.519 3.651 -0.072) 6.618 10.679 ( 1.666 0.934 0.925) 2.122 10.813 ( -0.732 2.187 1.622) 2.820 10.847 ( -3.365 4.393 -4.862) 7.366 11.068 ( 4.257 0.264 4.855) 6.462 11.201 ( 8.212 9.764 -3.199) 13.153 11.458 ( 6.086 5.070 0.410) 7.932 11.602 ( 1.094 7.728 0.188) 7.807 11.643 ( 5.159 0.486 0.477) 5.203 11.752 ( 0.292 -6.026 -0.349) 6.043 12.324 ( -5.516 7.213 0.886) 9.123 12.392 ( -4.427 3.075 -1.217) 5.526 16.197 ( -1.216 -0.374 -0.151) 1.281 16.317 ( -5.199 1.351 0.328) 5.381 17.988 ( 4.303 -2.279 -0.455) 4.890 18.216 ( -2.317 -1.825 0.631) 3.016 18.437 ( 8.889 -2.883 -0.095) 9.345 18.753 ( -2.432 8.730 -1.272) 9.151 18.868 ( -2.814 1.500 -0.366) 3.209 18.982 ( -0.835 0.353 4.527) 4.617 19.035 ( -3.755 -6.400 -0.388) 7.430 19.470 ( -4.285 5.650 -8.966) 11.431 19.807 ( 1.672 3.676 12.301) 12.947 20.101 ( 7.637 13.197 -6.288) 16.493 20.615 ( 12.584 -4.532 -0.364) 13.380 21.121 ( -4.654 -0.512 1.783) 5.010 21.606 ( 0.613 -1.495 0.046) 1.616 21.767 ( -1.713 3.565 -1.321) 4.171 21.810 ( 2.632 0.865 1.287) 3.055 21.962 ( -1.048 7.020 -1.926) 7.354 22.765 ( 0.589 -5.194 3.432) 6.253 22.894 ( -0.239 -4.126 -2.737) 4.957 23.015 ( -4.138 -5.660 -0.585) 7.036 23.059 ( -6.532 -7.207 0.896) 9.768 ======================= Grid point 133 (55/86) ======================= q-point: ( 0.60 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 7.163 1.532 0.327) 7.332 1.338 ( 3.479 -5.266 -3.897) 7.417 1.674 ( 3.547 2.836 -2.554) 5.210 1.798 ( -6.047 1.683 1.548) 6.465 1.926 ( 6.314 -4.955 3.311) 8.682 2.094 ( 3.694 8.687 -0.333) 9.445 2.142 ( -5.894 -6.494 4.883) 10.038 2.202 ( 2.691 6.826 -3.063) 7.951 2.304 ( -3.007 -0.880 2.074) 3.757 2.469 ( -6.467 0.017 -2.441) 6.912 2.613 ( 5.426 -3.626 -0.431) 6.540 2.777 ( 0.113 -1.317 1.670) 2.130 2.828 ( 5.919 0.133 -0.885) 5.986 2.868 ( -2.352 1.205 -4.094) 4.873 2.976 ( -0.132 -1.820 -0.881) 2.026 3.014 ( -0.352 2.088 1.832) 2.800 3.129 ( -2.603 1.941 4.695) 5.708 3.216 ( -3.820 8.111 0.343) 8.972 3.314 ( 3.663 -1.593 -2.852) 4.908 3.322 ( -0.953 -1.986 -0.936) 2.393 3.376 ( 5.830 -0.886 -2.596) 6.443 3.468 ( -0.685 0.418 3.057) 3.161 3.591 ( -4.687 -4.480 0.666) 6.518 3.610 ( -0.297 -0.755 -2.007) 2.165 3.764 ( -0.036 -1.597 3.430) 3.784 3.834 ( 7.766 -5.142 -4.426) 10.312 3.866 ( -3.250 2.503 1.743) 4.457 4.014 ( -5.587 -4.578 0.900) 7.279 4.164 ( -1.410 -5.041 0.614) 5.271 4.385 ( -9.995 0.884 -1.011) 10.085 4.454 ( 2.593 -2.433 0.608) 3.608 4.585 ( 1.956 -3.345 -2.979) 4.888 4.719 ( -3.548 -2.491 2.675) 5.094 4.833 ( -0.490 0.762 -4.416) 4.508 4.972 ( 3.279 -5.641 1.837) 6.778 5.056 ( -1.222 -5.511 3.073) 6.427 5.158 ( 6.030 1.419 -0.616) 6.225 5.303 ( 1.264 -1.998 0.645) 2.450 5.396 ( -5.413 -0.533 0.280) 5.446 5.445 ( 5.794 -0.091 1.621) 6.018 5.651 ( 2.520 3.430 -1.071) 4.389 5.762 ( -5.143 -2.423 -2.577) 6.242 5.859 ( -4.203 5.224 2.596) 7.190 6.007 ( -2.407 -0.791 -2.183) 3.344 6.132 ( 2.474 10.331 2.228) 10.854 6.274 ( 1.262 11.665 -2.473) 11.991 6.350 ( 0.713 3.574 -0.482) 3.676 6.456 ( -2.592 1.408 -1.631) 3.371 6.543 ( 1.792 2.195 3.156) 4.242 6.731 ( -1.871 1.460 -1.160) 2.642 7.039 ( 0.326 -1.978 4.663) 5.075 7.067 ( 3.614 2.649 -0.180) 4.485 7.382 ( -2.428 2.344 -3.429) 4.811 7.494 ( -12.729 2.684 -0.489) 13.018 7.773 ( 6.253 7.290 -3.963) 10.390 7.869 ( -1.717 6.393 0.022) 6.620 8.211 ( 4.607 -5.888 2.385) 7.848 8.238 ( 3.878 -4.643 1.950) 6.356 8.431 ( 1.285 -2.502 1.745) 3.310 8.545 ( -2.162 -3.979 1.215) 4.688 8.938 ( 3.895 4.682 2.515) 6.589 9.046 ( 4.218 5.443 -6.071) 9.180 9.450 ( 4.899 0.382 -0.275) 4.921 9.547 ( -2.054 -2.020 0.734) 2.973 9.890 ( -0.914 -1.081 -2.075) 2.512 9.948 ( -5.886 0.165 1.627) 6.109 10.200 ( 0.083 -1.943 0.409) 1.987 10.243 ( -4.371 -1.666 0.032) 4.678 10.478 ( 2.722 4.692 2.421) 5.940 10.628 ( 0.780 4.404 -0.523) 4.503 10.718 ( 0.963 3.582 -2.731) 4.606 10.839 ( -4.439 -3.735 -0.544) 5.827 11.042 ( 7.780 11.076 -1.507) 13.618 11.062 ( 1.940 3.946 3.611) 5.690 11.423 ( 2.506 4.080 -1.266) 4.953 11.450 ( -0.170 4.851 0.750) 4.912 11.732 ( 2.796 -3.064 0.595) 4.190 11.868 ( -1.326 -4.446 -0.632) 4.682 12.174 ( -0.651 4.140 1.475) 4.443 12.324 ( -3.941 0.035 -1.459) 4.202 16.204 ( -0.113 -0.844 0.664) 1.079 16.275 ( -2.224 0.097 -0.600) 2.305 18.077 ( 4.165 -3.527 -0.414) 5.473 18.237 ( -4.570 -3.495 0.993) 5.839 18.484 ( 3.892 2.829 -0.568) 4.845 18.577 ( -1.382 7.013 -1.433) 7.290 18.904 ( 2.414 -3.868 3.109) 5.519 19.013 ( 0.717 -2.805 2.904) 4.101 19.133 ( -0.142 -5.173 -1.383) 5.357 19.319 ( -4.696 4.114 -6.656) 9.126 19.715 ( -1.164 7.847 6.504) 10.258 19.864 ( 1.131 13.872 -2.936) 14.224 20.818 ( 10.946 -5.958 -0.176) 12.463 21.112 ( -6.978 -3.397 0.912) 7.814 21.631 ( 0.612 -0.449 -0.550) 0.937 21.686 ( -0.773 3.587 -0.713) 3.738 21.789 ( 0.621 2.905 1.983) 3.572 21.864 ( 0.165 2.266 -2.136) 3.119 22.858 ( 1.204 -3.261 1.103) 3.647 22.922 ( -1.884 -0.312 0.074) 1.911 23.099 ( -0.429 -4.785 -0.130) 4.805 23.147 ( -2.569 -5.863 -0.442) 6.416 ======================= Grid point 134 (56/86) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 1.126 -0.566 6.438) 6.560 1.426 ( 2.435 -1.312 -7.036) 7.560 1.540 ( 3.455 13.841 1.099) 14.308 1.671 ( -3.590 6.699 -2.611) 8.036 1.884 ( -4.978 7.468 3.882) 9.779 1.939 ( 1.026 6.809 -2.663) 7.382 2.123 ( 1.840 3.861 3.782) 5.710 2.245 ( -3.320 -4.945 1.761) 6.211 2.367 ( 2.702 -4.733 -3.793) 6.640 2.406 ( -3.932 3.444 -2.358) 5.734 2.690 ( -3.168 1.393 4.265) 5.492 2.762 ( 1.999 4.881 3.574) 6.371 2.798 ( 1.183 -0.204 -5.375) 5.507 2.873 ( -3.930 -0.864 0.359) 4.040 2.956 ( 5.179 0.524 -2.187) 5.646 2.978 ( -1.548 1.847 0.465) 2.455 3.104 ( -0.885 -0.915 2.700) 2.985 3.144 ( 0.138 -1.798 -0.394) 1.846 3.289 ( 0.529 1.077 1.050) 1.595 3.385 ( 1.853 1.078 -4.457) 4.945 3.407 ( 6.069 -0.795 -2.899) 6.773 3.440 ( -4.858 -0.883 0.843) 5.009 3.637 ( 1.181 -1.810 2.034) 2.967 3.669 ( -2.394 -4.274 2.809) 5.647 3.785 ( -3.447 2.277 3.027) 5.122 3.829 ( 3.376 -1.399 -3.510) 5.067 3.990 ( 9.208 -3.952 -3.951) 10.771 4.073 ( -7.064 -5.734 1.361) 9.200 4.275 ( -1.060 -7.074 1.397) 7.288 4.320 ( -7.165 -2.148 1.582) 7.646 4.531 ( 3.887 -2.342 2.675) 5.268 4.659 ( 1.406 -2.580 -4.992) 5.792 4.770 ( 1.226 -3.283 0.526) 3.544 4.805 ( 1.111 1.081 -2.352) 2.817 5.055 ( -0.250 -0.232 2.526) 2.549 5.137 ( -0.877 -0.331 -3.538) 3.660 5.200 ( 3.454 -1.857 6.917) 7.951 5.330 ( 1.406 -0.040 -0.162) 1.416 5.340 ( -4.770 -0.262 0.392) 4.793 5.429 ( 3.378 6.417 -2.830) 7.784 5.625 ( 3.692 0.417 -0.020) 3.715 5.726 ( -5.180 -0.117 -1.062) 5.289 5.809 ( -0.514 -0.947 1.592) 1.922 5.953 ( 1.608 8.325 0.376) 8.487 5.960 ( -7.131 1.315 0.542) 7.272 6.069 ( -1.600 8.319 -2.382) 8.800 6.350 ( 4.665 -0.650 -1.247) 4.872 6.405 ( -6.234 0.104 0.328) 6.244 6.514 ( 0.685 3.154 4.263) 5.347 6.648 ( -1.242 5.058 -3.209) 6.117 7.086 ( 4.365 -0.434 1.977) 4.812 7.141 ( -0.152 -6.035 3.708) 7.085 7.288 ( 1.570 4.025 -3.840) 5.780 7.382 ( -10.071 -2.199 -1.683) 10.445 7.710 ( -2.385 1.648 4.125) 5.042 7.813 ( 5.032 0.512 -9.452) 10.721 8.339 ( 1.350 -3.940 5.860) 7.189 8.375 ( 5.775 -4.701 1.277) 7.555 8.493 ( 1.091 -2.115 2.630) 3.547 8.581 ( -3.459 -1.068 3.364) 4.942 8.868 ( 3.592 5.747 -1.211) 6.884 8.959 ( 1.324 3.639 -8.052) 8.935 9.455 ( 3.046 3.108 1.864) 4.734 9.537 ( -2.892 1.450 -0.187) 3.241 9.895 ( -1.011 -0.909 -0.099) 1.364 9.907 ( -2.850 -0.440 0.054) 2.884 10.263 ( -1.718 -4.100 1.185) 4.601 10.267 ( 1.081 -2.790 -0.972) 3.146 10.426 ( -1.544 1.196 3.644) 4.134 10.541 ( -1.095 2.538 -4.856) 5.588 10.726 ( 6.950 0.532 0.038) 6.971 10.850 ( -5.505 -1.034 -1.248) 5.738 10.921 ( 3.071 5.631 3.419) 7.269 11.008 ( -0.329 1.758 -0.164) 1.796 11.340 ( 2.101 4.925 -0.249) 5.360 11.389 ( -1.571 2.805 -0.704) 3.291 11.769 ( 1.166 1.683 1.724) 2.677 11.848 ( -2.282 2.770 -1.870) 4.047 12.217 ( 2.665 -5.519 2.785) 6.732 12.339 ( -2.130 -4.645 -2.396) 5.644 16.223 ( -1.072 -1.075 2.278) 2.737 16.274 ( 0.616 -1.079 -2.250) 2.570 18.180 ( 5.836 -3.148 -0.130) 6.632 18.283 ( -6.112 -4.943 0.680) 7.890 18.430 ( 1.588 4.078 -0.733) 4.437 18.455 ( -0.874 5.104 -0.410) 5.194 19.005 ( -0.202 -4.351 5.478) 6.998 19.120 ( 6.360 -4.295 -2.264) 8.002 19.182 ( 2.915 1.030 -3.124) 4.395 19.260 ( -4.839 -4.256 -0.892) 6.506 19.547 ( -1.775 8.841 1.497) 9.141 19.610 ( -5.046 9.862 0.010) 11.078 20.971 ( 10.403 -0.409 0.107) 10.411 21.117 ( -7.555 -1.402 0.307) 7.690 21.619 ( -0.386 0.431 0.416) 0.713 21.649 ( -0.405 -0.374 -1.288) 1.401 21.765 ( 0.933 0.624 1.992) 2.287 21.838 ( -0.064 -0.077 -2.163) 2.165 22.883 ( -1.867 2.109 2.417) 3.712 22.918 ( 1.596 -1.165 -2.153) 2.923 23.174 ( -1.016 -3.253 3.064) 4.582 23.242 ( 1.076 -4.964 -2.811) 5.805 ======================= Grid point 135 (57/86) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -2.112 18.300 5.241) 19.152 1.230 ( -4.408 8.235 4.765) 10.485 1.414 ( 2.110 6.286 2.317) 7.024 1.494 ( 0.323 6.760 -5.471) 8.703 1.754 ( -0.497 3.640 0.576) 3.719 1.909 ( 3.758 -2.252 -10.274) 11.169 2.040 ( 4.512 7.560 3.933) 9.642 2.120 ( -3.131 11.993 -2.774) 12.702 2.363 ( -1.312 0.564 3.157) 3.465 2.412 ( -1.216 4.458 -0.343) 4.634 2.580 ( 0.282 4.640 5.311) 7.058 2.711 ( 0.472 4.924 -4.135) 6.447 2.781 ( -0.757 3.967 2.105) 4.555 2.818 ( -1.609 -1.451 -0.586) 2.244 2.977 ( -2.785 -2.050 1.686) 3.848 3.058 ( 6.412 -2.490 -4.917) 8.455 3.092 ( -2.859 -1.913 3.574) 4.960 3.183 ( 3.261 2.022 -3.777) 5.384 3.319 ( -0.883 -0.487 -0.477) 1.115 3.353 ( 2.593 -1.637 -3.118) 4.373 3.440 ( -6.308 -4.054 1.839) 7.721 3.482 ( 6.899 -1.858 -3.266) 7.856 3.665 ( -1.842 0.140 3.887) 4.304 3.708 ( -0.286 0.125 -0.089) 0.325 3.769 ( -1.440 -4.180 7.129) 8.388 3.880 ( 0.616 -2.825 -2.248) 3.663 4.082 ( -7.703 -5.280 -0.129) 9.340 4.145 ( 7.141 -3.627 -4.612) 9.242 4.336 ( -2.318 -2.027 5.377) 6.196 4.407 ( 0.608 -4.976 -0.753) 5.070 4.606 ( 3.476 -1.569 -0.344) 3.830 4.636 ( -2.426 2.970 -2.801) 4.749 4.794 ( -2.272 -0.470 1.591) 2.813 4.859 ( 5.944 -2.256 -3.775) 7.394 4.952 ( -5.367 8.273 5.331) 11.210 5.062 ( 3.841 6.003 -4.252) 8.299 5.249 ( -2.401 -0.144 3.099) 3.922 5.323 ( 0.769 3.029 -2.579) 4.052 5.364 ( -1.041 -4.846 1.883) 5.302 5.394 ( 0.803 -4.414 -1.114) 4.623 5.664 ( 3.384 1.084 1.867) 4.014 5.710 ( -0.492 0.224 -1.994) 2.066 5.797 ( -3.709 0.184 2.481) 4.466 5.869 ( 1.990 0.744 -3.922) 4.461 5.914 ( 0.229 -0.780 3.135) 3.238 5.978 ( -0.886 0.486 -2.582) 2.772 6.366 ( -5.204 -0.183 3.663) 6.366 6.400 ( 1.103 0.113 3.851) 4.008 6.467 ( -0.116 0.733 -1.105) 1.331 6.546 ( 3.269 3.786 -4.853) 6.970 7.114 ( 2.752 1.141 2.200) 3.703 7.182 ( -2.658 -0.643 -3.454) 4.406 7.339 ( 0.016 -6.406 4.895) 8.062 7.450 ( 1.971 -8.837 -4.914) 10.301 7.675 ( -7.539 -0.925 6.077) 9.727 7.852 ( 7.826 -1.093 -10.711) 13.311 8.412 ( -1.913 -2.360 7.191) 7.806 8.479 ( 0.123 -1.129 4.639) 4.776 8.508 ( -2.679 0.048 -0.711) 2.772 8.580 ( 1.852 -0.825 2.944) 3.575 8.774 ( -0.035 5.251 -1.011) 5.348 8.899 ( 0.420 1.920 -7.484) 7.738 9.414 ( 4.422 3.756 0.963) 5.881 9.441 ( -4.647 4.252 -0.724) 6.340 9.910 ( -4.281 -3.686 2.236) 6.076 9.957 ( 5.242 -2.481 -1.705) 6.045 10.317 ( -0.567 -3.508 0.737) 3.629 10.343 ( 1.892 -2.656 -1.232) 3.486 10.418 ( -5.735 -1.496 3.972) 7.134 10.521 ( 4.774 0.140 -5.428) 7.230 10.739 ( 1.759 1.700 3.933) 4.631 10.806 ( -5.237 -0.429 -2.513) 5.824 10.919 ( 4.488 -0.930 3.639) 5.852 10.993 ( -2.676 -1.002 -2.782) 3.988 11.267 ( 1.185 4.485 1.700) 4.941 11.317 ( -0.046 3.138 -2.652) 4.109 11.710 ( -2.211 3.388 3.684) 5.472 11.789 ( 1.804 2.544 -3.277) 4.524 12.365 ( -0.137 -7.565 3.422) 8.304 12.441 ( 0.103 -6.940 -3.100) 7.601 16.236 ( -2.617 -1.221 3.462) 4.508 16.317 ( 2.657 -2.625 -3.470) 5.099 18.258 ( -0.087 3.618 1.143) 3.795 18.275 ( -1.153 0.542 -0.089) 1.277 18.381 ( 2.709 -0.183 -0.414) 2.746 18.387 ( -1.231 1.220 -0.812) 1.914 19.098 ( -5.175 -6.141 2.638) 8.453 19.151 ( 4.940 0.174 -1.735) 5.238 19.289 ( -5.927 -4.717 0.510) 7.592 19.313 ( 7.537 -2.764 -1.569) 8.179 19.404 ( 0.536 4.743 2.144) 5.233 19.451 ( -2.313 1.424 -1.889) 3.309 20.988 ( 10.749 7.360 0.346) 13.032 20.999 ( -10.727 6.077 -0.308) 12.332 21.648 ( 0.173 -0.685 0.410) 0.817 21.658 ( 0.100 -1.680 -0.495) 1.754 21.769 ( -1.998 -1.800 4.916) 5.604 21.892 ( 2.129 -5.562 -5.729) 8.264 22.816 ( -2.112 3.732 4.955) 6.553 22.932 ( 2.392 0.607 -5.379) 5.918 23.222 ( -1.753 -1.923 5.408) 6.001 23.330 ( 1.122 -3.887 -4.180) 5.817 ======================= Grid point 136 (58/86) ======================= q-point: (-0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -5.636 14.360 -1.601) 15.509 0.960 ( 5.531 15.875 -0.214) 16.813 1.297 ( -4.001 7.457 2.915) 8.951 1.385 ( 6.954 8.374 0.631) 10.903 1.702 ( 1.899 3.811 3.646) 5.606 1.837 ( 5.882 11.743 -2.955) 13.462 1.908 ( -1.274 7.620 1.085) 7.802 2.012 ( 7.200 9.210 -1.016) 11.734 2.247 ( 0.515 -1.644 3.059) 3.511 2.310 ( -1.447 6.907 0.120) 7.058 2.541 ( 1.172 5.008 -5.694) 7.673 2.570 ( 6.556 7.077 -2.269) 9.910 2.708 ( -0.154 3.556 3.361) 4.895 2.832 ( 2.745 3.078 -2.201) 4.675 2.976 ( -2.524 1.047 0.479) 2.774 3.074 ( -2.367 -0.561 1.818) 3.037 3.128 ( -1.053 -2.418 -1.299) 2.940 3.164 ( 0.841 1.201 -0.870) 1.706 3.328 ( -2.313 -4.382 0.627) 4.994 3.438 ( 1.833 -4.368 -2.857) 5.532 3.506 ( -2.656 -5.929 -2.932) 7.128 3.543 ( 2.599 -0.008 -0.161) 2.604 3.619 ( -5.171 1.584 3.029) 6.198 3.768 ( 3.663 -5.043 -2.115) 6.582 3.858 ( -5.250 -3.428 3.564) 7.213 3.939 ( -0.493 -3.958 4.196) 5.789 4.112 ( -8.722 -5.905 -1.289) 10.612 4.271 ( 4.606 -3.300 1.871) 5.967 4.356 ( 2.401 0.370 3.745) 4.464 4.433 ( 0.086 0.796 -6.974) 7.020 4.481 ( -12.225 3.444 1.959) 12.851 4.696 ( 6.765 1.111 -3.873) 7.874 4.752 ( -3.114 7.625 5.578) 9.948 4.815 ( -1.579 -4.333 0.130) 4.613 4.908 ( 2.143 -0.562 -1.660) 2.768 5.040 ( 14.820 1.862 -6.995) 16.493 5.192 ( -9.477 0.151 5.002) 10.717 5.280 ( -4.662 2.097 -0.424) 5.129 5.395 ( -7.223 -2.749 1.054) 7.800 5.539 ( 2.450 -4.451 2.144) 5.514 5.650 ( 6.438 4.731 -0.603) 8.012 5.688 ( 3.355 -0.923 -4.692) 5.841 5.840 ( 0.794 -4.299 0.132) 4.373 5.897 ( 0.911 -1.874 -0.709) 2.201 5.951 ( -2.657 0.091 -0.589) 2.723 6.025 ( 10.043 -5.457 -0.276) 11.433 6.315 ( -0.787 3.549 5.240) 6.378 6.382 ( -3.285 -0.190 3.856) 5.070 6.491 ( 3.440 -1.842 -3.725) 5.394 6.590 ( 7.165 -3.248 -1.891) 8.091 7.098 ( 0.699 2.562 2.447) 3.611 7.175 ( 0.644 -0.367 -5.186) 5.239 7.468 ( -4.838 -7.707 5.107) 10.435 7.642 ( 1.984 -3.032 0.854) 3.722 7.695 ( -2.158 -10.612 -0.753) 10.855 7.923 ( 7.124 -2.497 -7.612) 10.720 8.382 ( -6.579 4.003 5.379) 9.394 8.454 ( -3.717 -1.814 2.822) 5.007 8.523 ( -1.039 -0.689 -1.388) 1.865 8.620 ( 2.525 0.271 1.961) 3.208 8.671 ( -3.353 3.758 0.415) 5.054 8.859 ( 2.310 2.031 0.493) 3.116 9.318 ( -2.159 3.775 0.548) 4.384 9.450 ( 4.870 -3.472 -4.336) 7.388 9.980 ( -1.881 -5.504 0.654) 5.854 10.026 ( 1.274 -1.286 1.846) 2.586 10.358 ( -6.365 1.820 1.590) 6.809 10.379 ( 0.346 -1.713 -0.578) 1.841 10.433 ( 2.185 -4.213 -1.902) 5.113 10.535 ( 6.182 2.150 -0.727) 6.586 10.772 ( -0.613 -3.422 1.893) 3.958 10.810 ( 0.274 -3.309 0.126) 3.322 10.948 ( -4.347 -0.553 -1.835) 4.750 11.021 ( 5.513 -2.137 1.087) 6.012 11.200 ( 1.247 3.313 0.818) 3.633 11.268 ( 3.327 2.906 -3.131) 5.414 11.652 ( -2.679 1.316 4.420) 5.334 11.760 ( 1.508 1.244 -2.949) 3.538 12.508 ( -1.448 -7.349 2.395) 7.864 12.565 ( -0.593 -6.512 -2.440) 6.980 16.247 ( -3.224 -1.479 4.121) 5.438 16.406 ( 3.728 -5.336 -3.907) 7.592 18.107 ( -5.631 6.876 1.270) 8.977 18.201 ( 1.289 6.791 -0.820) 6.961 18.313 ( -7.967 3.536 0.268) 8.721 18.519 ( 14.565 -4.992 -0.494) 15.404 19.125 ( -7.431 -2.833 0.611) 7.976 19.197 ( -3.173 -1.222 -1.188) 3.601 19.283 ( -7.430 -1.463 0.688) 7.604 19.362 ( 1.080 -6.669 1.175) 6.857 19.504 ( 11.895 -4.405 0.526) 12.696 19.527 ( 8.124 -4.760 -2.526) 9.749 20.724 ( -12.052 12.163 -0.451) 17.129 20.894 ( 10.794 11.496 0.664) 15.784 21.639 ( -0.317 1.293 0.840) 1.574 21.661 ( 1.122 0.873 -0.573) 1.533 21.866 ( -2.622 -7.536 5.248) 9.551 22.025 ( 2.101 -7.599 -7.132) 10.631 22.737 ( -2.355 4.069 7.192) 8.592 22.908 ( 2.363 2.518 -7.303) 8.079 23.237 ( -3.178 0.050 7.302) 7.964 23.372 ( -2.130 -1.502 -6.057) 6.594 ======================= Grid point 140 (59/86) ======================= q-point: ( 0.30 0.30 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 11.603 0.000 8.227) 14.224 1.149 ( 13.317 0.000 -3.674) 13.814 1.264 ( 15.917 0.000 0.919) 15.944 1.421 ( 23.076 0.000 -7.825) 24.367 1.882 ( 4.217 0.000 -0.981) 4.329 1.959 ( 15.856 0.000 3.938) 16.338 2.138 ( 19.370 0.000 -9.411) 21.535 2.227 ( -5.960 -0.000 8.554) 10.426 2.275 ( 3.353 0.000 3.396) 4.772 2.291 ( -7.402 -0.000 8.465) 11.245 2.354 ( -6.346 -0.000 -2.249) 6.732 2.396 ( 18.911 0.000 -8.904) 20.903 2.678 ( 2.199 0.000 -0.881) 2.368 2.812 ( 7.085 0.000 -1.655) 7.276 2.912 ( -0.289 -0.000 -3.404) 3.416 2.961 ( 1.103 0.000 2.466) 2.701 3.108 ( -8.387 -0.000 1.042) 8.452 3.221 ( 4.205 0.000 1.539) 4.478 3.368 ( -2.821 -0.000 -5.651) 6.316 3.386 ( -2.154 -0.000 4.606) 5.085 3.436 ( -1.381 -0.000 -1.478) 2.023 3.503 ( 3.325 0.000 3.375) 4.738 3.675 ( -1.879 -0.000 -4.895) 5.243 3.796 ( 5.659 0.000 0.490) 5.680 3.854 ( -17.149 -0.000 5.298) 17.949 3.898 ( 3.742 0.000 -0.465) 3.771 3.970 ( -3.903 -0.000 -4.057) 5.629 4.202 ( -5.280 -0.000 4.548) 6.969 4.339 ( -9.930 -0.000 1.335) 10.019 4.416 ( -3.498 -0.000 4.932) 6.047 4.524 ( -5.311 -0.000 -3.137) 6.168 4.533 ( -8.946 -0.000 -3.783) 9.713 4.675 ( 1.745 0.000 -5.726) 5.986 4.757 ( -0.096 -0.000 -2.418) 2.420 4.845 ( 1.330 0.000 0.391) 1.386 4.929 ( -5.168 -0.000 5.873) 7.824 5.081 ( -6.311 -0.000 -2.704) 6.866 5.087 ( -5.422 -0.000 0.260) 5.428 5.191 ( -7.243 -0.000 7.368) 10.332 5.466 ( 1.725 0.000 -8.331) 8.508 5.574 ( -0.550 -0.000 2.985) 3.035 5.638 ( 1.242 0.000 0.985) 1.585 5.829 ( 1.760 0.000 -2.271) 2.873 5.941 ( -0.376 -0.000 2.097) 2.130 6.258 ( 5.811 0.000 -0.450) 5.828 6.493 ( 4.717 0.000 -1.372) 4.913 6.544 ( 7.085 0.000 -1.583) 7.260 6.608 ( 9.496 0.000 -1.321) 9.587 6.885 ( 4.718 0.000 1.611) 4.986 6.898 ( -1.952 -0.000 3.586) 4.083 7.246 ( -2.577 -0.000 -1.685) 3.079 7.370 ( -3.040 -0.000 4.134) 5.131 7.432 ( 6.396 0.000 -5.753) 8.602 7.720 ( -9.298 -0.000 3.297) 9.865 7.888 ( -0.541 -0.000 -7.757) 7.776 7.953 ( -7.929 -0.000 0.474) 7.944 8.177 ( -6.197 -0.000 8.034) 10.147 8.326 ( 4.986 0.000 2.542) 5.597 8.619 ( 0.300 0.000 -5.108) 5.117 8.774 ( 3.999 0.000 -3.706) 5.453 9.072 ( 10.111 0.000 -3.670) 10.757 9.132 ( -5.983 -0.000 7.641) 9.705 9.420 ( 2.782 0.000 0.165) 2.787 9.656 ( -8.328 -0.000 -0.433) 8.340 9.820 ( -1.768 -0.000 -4.736) 5.055 9.863 ( -4.917 -0.000 4.543) 6.694 10.164 ( 2.125 0.000 1.843) 2.813 10.322 ( -0.477 -0.000 2.267) 2.317 10.587 ( 4.101 0.000 2.170) 4.640 10.599 ( -4.052 -0.000 -5.401) 6.752 10.841 ( 8.688 0.000 1.123) 8.760 10.976 ( 3.147 0.000 -1.306) 3.407 11.064 ( -0.725 -0.000 -0.754) 1.046 11.162 ( 0.831 0.000 2.429) 2.567 11.442 ( -0.764 -0.000 -0.128) 0.775 11.519 ( -3.750 -0.000 -1.072) 3.900 12.175 ( 11.305 0.000 -5.591) 12.612 12.184 ( 11.566 0.000 6.567) 13.300 12.598 ( -2.691 -0.000 -0.160) 2.696 12.611 ( -4.028 -0.000 0.067) 4.028 16.205 ( -4.063 -0.000 -0.483) 4.092 16.514 ( -20.053 -0.000 2.711) 20.235 18.056 ( 10.298 0.000 -0.680) 10.321 18.072 ( 6.978 0.000 0.640) 7.008 18.358 ( 3.447 0.000 -1.246) 3.665 18.395 ( 4.507 0.000 2.036) 4.945 18.990 ( -6.055 -0.000 -0.991) 6.135 19.024 ( -8.300 -0.000 0.513) 8.316 19.358 ( -2.778 -0.000 -0.589) 2.840 19.543 ( 1.400 0.000 -0.124) 1.406 19.899 ( 0.789 0.000 8.369) 8.406 20.460 ( 13.006 0.000 -23.282) 26.669 20.833 ( 17.462 0.000 6.142) 18.510 21.000 ( 10.004 0.000 12.168) 15.753 21.664 ( -2.154 -0.000 0.733) 2.275 21.911 ( 4.524 0.000 -0.647) 4.570 22.091 ( 0.244 0.000 -7.833) 7.837 22.150 ( -6.946 -0.000 9.603) 11.852 22.395 ( -3.482 -0.000 -0.574) 3.529 22.613 ( -7.966 -0.000 0.320) 7.972 22.641 ( -4.470 -0.000 -3.934) 5.954 22.728 ( -4.078 -0.000 1.825) 4.468 ======================= Grid point 141 (60/86) ======================= q-point: ( 0.40 0.30 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 11.638 -3.634 2.697) 12.487 1.299 ( 12.444 -2.450 -3.979) 13.293 1.379 ( 8.602 -1.289 4.388) 9.742 1.563 ( 18.868 1.982 -6.230) 19.969 1.834 ( 2.724 4.143 1.916) 5.316 2.008 ( -4.724 5.891 3.748) 8.430 2.096 ( 1.515 -2.047 -0.162) 2.552 2.263 ( 7.252 -0.910 0.438) 7.322 2.337 ( -0.806 -3.138 -3.831) 5.018 2.364 ( -5.793 -9.830 2.142) 11.609 2.457 ( 4.624 -7.909 2.510) 9.500 2.583 ( 16.748 -1.308 -5.214) 17.590 2.691 ( 7.499 -0.911 -2.713) 8.026 2.860 ( 2.856 0.176 2.094) 3.546 2.920 ( -0.637 -1.628 -1.565) 2.347 2.998 ( 1.305 -0.437 -3.590) 3.845 3.052 ( -0.445 -0.832 6.051) 6.124 3.197 ( -0.393 3.895 2.596) 4.697 3.320 ( -2.422 1.083 -5.106) 5.754 3.373 ( -2.763 3.223 0.993) 4.359 3.402 ( 0.813 0.532 2.058) 2.276 3.574 ( 7.598 -0.240 0.478) 7.617 3.593 ( -3.274 4.110 -2.768) 5.939 3.735 ( -12.297 -0.125 3.228) 12.714 3.806 ( 6.603 4.996 1.824) 8.478 3.892 ( -0.761 -1.371 -3.882) 4.187 3.947 ( -3.980 2.435 0.894) 4.751 4.161 ( -6.339 1.335 0.041) 6.479 4.235 ( -6.664 6.388 6.224) 11.133 4.337 ( -1.620 -1.140 -0.317) 2.006 4.469 ( -2.601 -0.528 -7.975) 8.405 4.505 ( -7.737 -2.185 -0.622) 8.063 4.652 ( -5.313 3.759 1.094) 6.599 4.765 ( -0.912 -4.372 -4.325) 6.217 4.880 ( -1.479 -0.238 1.595) 2.188 4.951 ( -0.918 -3.258 0.887) 3.499 5.043 ( -3.661 -1.263 1.193) 4.052 5.067 ( -7.542 -1.283 3.401) 8.372 5.143 ( -3.759 -2.831 2.640) 5.396 5.447 ( 2.852 2.098 -3.755) 5.161 5.595 ( -2.410 -3.287 -0.409) 4.096 5.695 ( -1.095 -3.185 1.720) 3.782 5.869 ( 6.583 -1.729 -4.255) 8.026 5.954 ( -1.194 -1.131 3.612) 3.968 6.302 ( 6.169 0.242 -1.017) 6.256 6.472 ( 0.962 2.316 2.158) 3.308 6.600 ( 9.299 0.851 -5.061) 10.621 6.700 ( 2.629 -1.998 0.519) 3.343 6.860 ( 2.010 5.959 3.328) 7.116 6.914 ( 0.517 -0.822 -1.626) 1.894 7.196 ( -5.922 1.229 0.468) 6.066 7.306 ( 4.953 5.983 0.366) 7.776 7.410 ( -0.608 4.558 -0.300) 4.608 7.650 ( -9.946 -0.600 -0.734) 9.992 7.904 ( 0.111 -2.358 -0.635) 2.444 7.922 ( -0.416 -1.570 -1.507) 2.216 8.160 ( -3.034 -1.021 5.126) 6.044 8.352 ( 2.009 0.944 2.740) 3.526 8.522 ( -0.941 8.434 -4.320) 9.523 8.725 ( 0.291 7.002 -5.568) 8.951 9.045 ( -5.173 3.274 12.936) 14.312 9.146 ( 10.381 -0.222 -6.147) 12.067 9.435 ( 1.975 0.045 -0.046) 1.976 9.583 ( -5.674 1.735 -1.408) 6.099 9.819 ( 1.001 -0.525 -4.924) 5.052 9.864 ( -4.111 -2.904 4.056) 6.464 10.189 ( -0.041 -0.343 2.543) 2.566 10.309 ( -1.944 1.025 -0.462) 2.245 10.565 ( 0.974 -0.264 -2.474) 2.671 10.625 ( 3.057 -0.087 1.162) 3.271 10.928 ( 5.401 0.548 0.705) 5.474 10.985 ( 3.511 -0.980 1.283) 3.865 11.038 ( -0.257 2.264 -2.207) 3.172 11.205 ( -0.155 -3.196 1.504) 3.536 11.451 ( -0.592 -2.051 -0.960) 2.341 11.530 ( -2.195 -3.994 -0.192) 4.562 12.044 ( 10.226 15.150 0.440) 18.284 12.250 ( 12.207 10.421 0.809) 16.071 12.454 ( -6.984 4.432 -0.622) 8.295 12.594 ( -4.035 3.084 -0.039) 5.079 16.177 ( -3.584 -0.529 -0.254) 3.632 16.367 ( -14.008 0.863 1.120) 14.079 18.042 ( 8.179 5.185 -0.059) 9.684 18.167 ( 4.465 -1.429 -0.042) 4.689 18.305 ( 10.227 -0.255 0.013) 10.230 18.655 ( -4.154 -13.310 0.319) 13.947 18.925 ( -5.276 1.722 -0.056) 5.550 18.960 ( -6.483 0.672 -0.087) 6.519 19.253 ( -2.012 8.326 0.712) 8.595 19.547 ( -1.824 -0.619 -5.654) 5.973 19.901 ( 1.990 2.733 13.911) 14.316 20.444 ( 8.343 4.751 -19.019) 21.305 20.817 ( 16.991 11.385 6.324) 21.408 21.167 ( 6.222 -1.952 6.831) 9.444 21.600 ( -0.260 3.566 -0.585) 3.623 21.812 ( 0.338 5.100 -0.365) 5.124 22.004 ( -0.536 6.233 -1.244) 6.378 22.176 ( -3.248 0.212 -0.832) 3.360 22.488 ( -2.086 -8.741 2.260) 9.266 22.645 ( -2.841 -6.304 1.730) 7.128 22.675 ( -6.167 -10.313 -4.073) 12.687 22.770 ( -5.583 -5.909 1.030) 8.194 ======================= Grid point 142 (61/86) ======================= q-point: ( 0.50 0.30 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 1.574 2.064 6.022) 6.557 1.349 ( 12.953 0.996 -2.262) 13.187 1.515 ( 7.687 -6.082 -6.754) 11.903 1.605 ( 2.524 -1.033 0.481) 2.769 1.818 ( 3.032 0.793 5.796) 6.588 1.976 ( 3.276 -2.043 -2.565) 4.635 2.159 ( 4.601 -2.362 -1.917) 5.516 2.302 ( 0.584 0.052 0.571) 0.818 2.392 ( -11.428 -5.166 2.292) 12.749 2.451 ( -2.836 -4.028 -2.403) 5.482 2.620 ( 4.761 2.210 3.154) 6.123 2.662 ( 11.710 -3.701 -3.500) 12.770 2.839 ( 7.660 -4.358 -3.592) 9.517 2.849 ( -5.675 1.028 2.728) 6.380 2.912 ( -1.608 -0.019 3.656) 3.994 2.995 ( 1.408 -1.112 -3.278) 3.737 3.123 ( -1.538 0.729 1.398) 2.203 3.178 ( 9.307 -4.008 1.441) 10.235 3.254 ( -1.871 1.007 -3.607) 4.186 3.329 ( 0.171 -0.056 -0.948) 0.965 3.420 ( 1.752 0.666 3.701) 4.149 3.491 ( -2.820 2.534 -0.454) 3.818 3.558 ( 2.325 5.815 -2.037) 6.586 3.682 ( -8.146 -1.364 4.079) 9.212 3.783 ( 6.795 2.994 -2.787) 7.931 3.804 ( -1.294 5.904 1.035) 6.132 3.962 ( -4.379 -2.663 -1.679) 5.393 4.048 ( -0.637 3.654 -0.919) 3.822 4.074 ( -6.379 5.336 4.393) 9.406 4.369 ( -3.828 -2.177 0.613) 4.446 4.439 ( 1.249 1.184 -8.134) 8.314 4.502 ( -4.655 -2.043 0.660) 5.127 4.604 ( -7.114 -3.009 4.413) 8.896 4.780 ( -0.991 -1.259 -5.483) 5.712 4.872 ( 1.125 0.159 -0.077) 1.139 4.926 ( -6.639 0.066 4.434) 7.984 5.104 ( 1.114 -4.645 3.352) 5.836 5.127 ( -1.286 -6.598 0.131) 6.724 5.237 ( -0.650 -6.364 -0.670) 6.432 5.440 ( 4.250 0.878 -0.421) 4.360 5.630 ( -5.173 -3.397 -0.810) 6.242 5.721 ( -2.038 -0.880 0.582) 2.295 5.945 ( 4.658 -0.765 -1.746) 5.033 5.981 ( 0.586 -1.445 0.998) 1.851 6.336 ( 5.795 1.250 -0.847) 5.988 6.448 ( 0.544 1.195 0.378) 1.367 6.619 ( 6.111 3.364 -3.943) 8.013 6.691 ( -2.815 5.818 4.238) 7.729 6.735 ( -1.804 4.011 4.287) 6.141 6.835 ( 0.031 9.439 -5.948) 11.157 7.109 ( -1.214 4.025 4.014) 5.813 7.251 ( 1.965 5.484 0.185) 5.829 7.359 ( 4.151 -1.197 -3.777) 5.739 7.562 ( -11.936 0.707 -1.040) 12.002 7.977 ( 4.430 -4.062 0.009) 6.010 8.001 ( 0.982 -5.235 1.109) 5.440 8.155 ( -2.569 2.531 4.700) 5.924 8.291 ( 1.468 12.579 -1.725) 12.781 8.363 ( -1.363 -0.442 -0.478) 1.511 8.529 ( -2.020 8.201 -4.455) 9.549 9.023 ( -0.562 0.471 10.953) 10.977 9.205 ( 8.529 1.094 -7.235) 11.237 9.453 ( 0.500 -0.699 0.963) 1.291 9.511 ( -0.847 2.131 -1.268) 2.621 9.838 ( 1.562 -1.214 -2.690) 3.339 9.892 ( -4.988 -2.675 1.240) 5.794 10.181 ( -1.459 0.660 2.589) 3.044 10.259 ( -2.320 1.831 -1.441) 3.288 10.587 ( 2.796 -0.148 -0.286) 2.814 10.667 ( 2.135 -2.073 0.118) 2.978 10.870 ( -0.880 5.164 1.403) 5.423 10.952 ( -0.268 5.730 -3.880) 6.925 11.091 ( 5.711 -2.652 3.636) 7.271 11.265 ( -0.135 -2.467 -0.400) 2.503 11.519 ( 1.264 -4.731 -0.343) 4.909 11.616 ( -2.077 -6.090 -0.370) 6.445 11.805 ( 10.375 17.480 0.953) 20.349 11.996 ( 5.093 19.769 -0.383) 20.419 12.366 ( -4.147 2.345 0.343) 4.777 12.457 ( -4.576 6.282 -0.722) 7.805 16.172 ( -1.411 -1.056 -0.134) 1.768 16.278 ( -7.658 -0.161 0.446) 7.673 18.031 ( 6.917 2.050 -0.136) 7.216 18.186 ( -1.629 0.293 -0.000) 1.655 18.453 ( 11.827 -4.234 -0.006) 12.562 18.803 ( -7.955 -4.408 -0.235) 9.098 18.869 ( -1.788 -2.071 0.544) 2.790 18.890 ( -4.446 2.290 -1.451) 5.207 19.071 ( 0.300 8.334 4.905) 9.675 19.482 ( -5.169 2.676 -11.610) 12.987 19.911 ( 2.140 2.116 17.500) 17.757 20.349 ( 5.856 7.769 -13.569) 16.696 20.765 ( 16.200 7.633 3.027) 18.163 21.140 ( -3.381 5.581 2.346) 6.934 21.586 ( 1.054 -1.057 0.963) 1.776 21.756 ( -2.586 0.187 -3.673) 4.496 21.906 ( 2.614 4.624 2.746) 5.980 22.077 ( -2.220 6.172 -2.002) 6.858 22.655 ( 0.927 -8.149 2.716) 8.640 22.779 ( -0.692 -7.319 -1.578) 7.519 22.830 ( -3.877 -9.932 -2.137) 10.874 22.851 ( -6.970 -7.917 1.965) 10.729 ======================= Grid point 143 (62/86) ======================= q-point: ( 0.60 0.30 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -1.232 0.309 3.760) 3.969 1.370 ( 10.414 4.239 -8.486) 14.087 1.638 ( -3.198 -5.692 4.340) 7.840 1.729 ( 1.004 -5.426 -4.888) 7.372 1.893 ( 8.814 -4.191 4.274) 10.655 2.023 ( -1.498 -2.146 -0.209) 2.625 2.242 ( 4.004 -0.641 -0.078) 4.056 2.277 ( -0.330 3.117 1.566) 3.504 2.343 ( -5.143 1.542 0.366) 5.382 2.424 ( -8.824 4.178 -0.724) 9.790 2.601 ( 2.955 -1.382 4.569) 5.614 2.763 ( 3.350 0.089 -5.192) 6.180 2.807 ( 0.618 -0.777 1.852) 2.101 2.894 ( -2.325 -0.849 -1.799) 3.060 2.964 ( 5.080 -1.525 -1.719) 5.576 3.016 ( -0.257 -0.887 -0.750) 1.190 3.156 ( 0.611 -1.112 3.814) 4.019 3.246 ( -2.379 -0.426 -2.794) 3.694 3.317 ( 2.901 0.229 1.578) 3.310 3.348 ( 7.987 -4.287 -1.487) 9.186 3.420 ( -1.790 6.992 -0.194) 7.220 3.452 ( 0.591 -3.130 -0.502) 3.225 3.468 ( -1.621 0.300 0.861) 1.860 3.589 ( -7.428 0.887 -0.449) 7.494 3.765 ( 2.007 -0.119 2.798) 3.445 3.831 ( 7.142 -0.620 -2.126) 7.478 3.884 ( -4.386 1.865 -0.470) 4.789 3.915 ( -8.438 0.703 0.421) 8.477 4.123 ( 7.713 -1.236 0.585) 7.833 4.316 ( -10.902 1.286 -1.729) 11.113 4.428 ( -1.327 -1.488 3.787) 4.279 4.537 ( 2.780 -2.910 -6.804) 7.905 4.639 ( -3.425 -3.710 7.031) 8.656 4.808 ( -0.649 -2.207 -4.745) 5.273 4.909 ( 1.333 -2.066 -1.042) 2.671 4.937 ( -1.616 -5.187 1.931) 5.766 5.197 ( 2.480 -2.589 3.346) 4.904 5.247 ( 0.918 -5.395 1.177) 5.598 5.333 ( 0.206 -3.372 -0.763) 3.463 5.464 ( 0.596 -0.882 -1.918) 2.194 5.653 ( -2.452 -2.743 0.691) 3.744 5.711 ( -1.200 0.384 0.492) 1.353 5.939 ( 0.062 3.704 1.001) 3.837 5.996 ( 0.208 0.388 -2.730) 2.765 6.329 ( 5.503 4.881 0.286) 7.362 6.413 ( -3.013 4.720 0.595) 5.631 6.479 ( -1.032 7.081 1.522) 7.316 6.537 ( -1.127 10.998 -2.389) 11.311 6.650 ( 3.664 5.359 -0.787) 6.539 6.713 ( -1.900 0.068 -0.379) 1.939 7.054 ( -0.562 2.348 6.467) 6.903 7.176 ( 5.348 4.290 -1.431) 7.004 7.386 ( -2.525 1.448 -2.095) 3.586 7.452 ( -6.462 1.062 -4.373) 7.875 7.995 ( 1.903 10.098 0.246) 10.279 8.023 ( -1.789 11.878 0.101) 12.013 8.116 ( 0.999 -6.752 4.562) 8.210 8.159 ( 2.277 -5.646 -0.152) 6.089 8.391 ( 0.213 -2.409 0.642) 2.502 8.462 ( -0.805 -2.055 -3.280) 3.954 9.031 ( 0.951 1.811 7.123) 7.411 9.178 ( 3.760 5.262 -5.690) 8.614 9.474 ( -0.170 -1.189 1.753) 2.125 9.506 ( 2.642 -0.783 -2.345) 3.619 9.862 ( -3.678 -1.606 2.065) 4.513 9.897 ( -0.016 -0.945 -3.675) 3.795 10.171 ( -1.120 -0.386 1.865) 2.210 10.210 ( -2.033 0.801 -0.314) 2.207 10.603 ( 4.346 2.374 1.130) 5.079 10.720 ( 1.559 -1.401 0.041) 2.096 10.753 ( -3.245 4.859 -0.664) 5.880 10.812 ( -1.015 6.684 -2.107) 7.081 11.147 ( 2.122 1.876 4.967) 5.718 11.263 ( 1.798 3.984 -3.246) 5.444 11.554 ( 5.140 10.473 -0.333) 11.671 11.590 ( -1.554 4.584 0.440) 4.860 11.707 ( 1.512 1.908 1.538) 2.880 11.763 ( 1.016 -3.044 -1.561) 3.568 12.261 ( -2.721 5.296 2.241) 6.362 12.331 ( -1.940 3.696 -2.406) 4.818 16.191 ( 0.709 -1.003 0.403) 1.293 16.245 ( -3.568 -0.793 -0.259) 3.664 18.070 ( 5.846 -0.897 -0.170) 5.917 18.157 ( -5.047 -0.813 0.169) 5.115 18.570 ( 6.642 1.603 0.491) 6.850 18.697 ( -3.633 6.591 -3.192) 8.174 18.868 ( 2.893 -2.995 1.732) 4.510 18.944 ( -4.450 -4.774 0.881) 6.586 19.031 ( 0.590 -1.849 6.489) 6.773 19.343 ( -4.416 4.182 -12.034) 13.483 19.881 ( 0.081 6.546 13.666) 15.154 20.158 ( 4.019 13.962 -9.056) 17.120 20.827 ( 13.035 -1.303 0.608) 13.114 21.009 ( -10.300 0.759 1.300) 10.409 21.624 ( 1.252 -1.237 1.368) 2.229 21.724 ( -1.722 1.091 -3.567) 4.109 21.860 ( 1.736 3.538 2.686) 4.769 21.939 ( -0.764 5.807 -1.900) 6.157 22.797 ( 1.970 -4.863 1.878) 5.573 22.869 ( -1.639 -3.753 -1.179) 4.262 22.967 ( -3.751 -7.999 1.624) 8.983 22.988 ( -0.458 -8.608 -1.714) 8.789 ======================= Grid point 144 (63/86) ======================= q-point: (-0.30 -0.70 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 3.544 -0.089 -1.278) 3.769 1.369 ( 3.370 -1.768 -7.648) 8.543 1.666 ( -7.617 1.297 4.670) 9.028 1.754 ( 3.738 1.776 -2.666) 4.923 2.010 ( -5.381 1.988 12.318) 13.588 2.076 ( -5.474 2.054 0.293) 5.854 2.100 ( 2.002 3.322 0.259) 3.887 2.237 ( 6.388 3.818 -6.356) 9.787 2.313 ( 2.479 -1.110 2.874) 3.954 2.367 ( -4.723 -4.444 -0.846) 6.540 2.708 ( 4.043 -1.003 0.348) 4.180 2.753 ( -4.647 -2.817 -2.243) 5.879 2.803 ( 1.410 2.375 2.052) 3.441 2.877 ( 0.122 0.774 -3.676) 3.759 2.988 ( -2.725 -0.784 1.665) 3.288 3.045 ( 4.584 0.604 -2.948) 5.484 3.118 ( 1.062 3.503 2.179) 4.260 3.190 ( 2.196 8.922 -2.763) 9.594 3.273 ( -4.047 -1.206 3.194) 5.295 3.355 ( 0.714 -2.289 -2.037) 3.147 3.423 ( -4.626 1.196 0.915) 4.865 3.472 ( 7.352 -0.415 -3.436) 8.126 3.540 ( -1.854 -5.136 3.753) 6.626 3.609 ( -0.009 -3.024 -2.172) 3.723 3.811 ( 3.237 -2.530 0.961) 4.219 3.821 ( -1.171 1.516 0.191) 1.926 3.906 ( -8.130 -4.009 1.586) 9.202 3.951 ( 5.714 -6.344 -1.522) 8.673 4.208 ( 6.550 -1.349 0.241) 6.691 4.229 ( -6.233 -1.576 -0.989) 6.505 4.466 ( -4.937 -3.871 5.992) 8.675 4.608 ( 2.727 -3.296 -5.365) 6.862 4.713 ( 1.589 -3.339 2.315) 4.363 4.812 ( -0.072 -0.385 -5.176) 5.191 4.978 ( -1.405 -4.838 3.495) 6.131 5.056 ( 1.176 -5.639 -2.065) 6.120 5.260 ( 1.976 -0.430 5.496) 5.856 5.322 ( 1.341 -0.912 0.007) 1.622 5.353 ( 0.573 0.801 2.093) 2.313 5.453 ( -6.154 -0.958 -5.090) 8.044 5.677 ( 1.296 1.196 1.137) 2.098 5.708 ( -0.317 0.062 -1.586) 1.618 5.849 ( 2.630 3.737 3.978) 6.059 5.949 ( -1.224 3.532 -5.066) 6.296 6.159 ( -2.031 10.874 5.521) 12.363 6.267 ( 1.176 11.597 -4.183) 12.385 6.358 ( -3.737 1.509 1.495) 4.298 6.416 ( 3.507 3.115 -3.926) 6.117 6.613 ( 3.359 3.504 4.134) 6.376 6.686 ( -2.304 1.201 -2.761) 3.791 7.043 ( -3.325 -1.471 6.254) 7.234 7.178 ( 9.843 1.522 -2.345) 10.232 7.281 ( -10.920 1.028 1.115) 11.025 7.390 ( 4.551 4.586 -5.387) 8.412 7.793 ( -3.170 8.937 2.101) 9.712 7.873 ( 4.721 4.112 -6.038) 8.698 8.238 ( -4.690 -6.277 6.026) 9.885 8.316 ( 4.477 -6.223 1.530) 7.817 8.446 ( -1.069 -3.119 1.543) 3.640 8.510 ( -1.866 -3.588 -1.190) 4.216 8.975 ( -2.157 4.725 2.254) 5.662 9.074 ( 3.960 6.612 -5.590) 9.521 9.486 ( -3.188 -0.393 2.890) 4.321 9.544 ( 3.359 -0.503 -2.209) 4.052 9.854 ( -4.120 -1.052 2.081) 4.734 9.919 ( 4.707 -0.077 -3.983) 6.167 10.178 ( -2.927 -1.481 3.212) 4.592 10.223 ( 1.037 -2.777 -0.878) 3.092 10.530 ( 2.248 7.086 2.805) 7.945 10.608 ( -1.746 6.638 -3.872) 7.880 10.757 ( 0.270 -1.498 0.288) 1.550 10.766 ( -0.280 -1.824 -0.391) 1.886 11.072 ( -2.739 5.244 2.863) 6.572 11.125 ( 2.918 10.580 -1.653) 11.099 11.436 ( -1.337 4.186 0.327) 4.406 11.449 ( 1.159 5.328 -0.739) 5.502 11.778 ( 0.073 -2.564 2.373) 3.495 11.833 ( -0.123 -2.680 -2.415) 3.610 12.192 ( 0.410 0.963 3.450) 3.605 12.270 ( -0.397 0.230 -3.285) 3.317 16.212 ( 0.217 -0.287 1.588) 1.628 16.248 ( -0.197 -1.414 -1.516) 2.083 18.155 ( 2.327 -3.187 0.040) 3.946 18.155 ( -2.309 -3.516 0.010) 4.206 18.518 ( -1.339 4.904 1.181) 5.219 18.560 ( 1.534 5.661 -2.625) 6.426 18.963 ( 0.190 -1.857 6.532) 6.793 19.038 ( 1.800 -6.873 -0.679) 7.137 19.106 ( -3.853 -5.395 1.813) 6.873 19.235 ( 1.569 2.585 -9.241) 9.724 19.734 ( -0.566 10.212 7.353) 12.597 19.864 ( 0.910 16.258 -4.482) 16.888 20.976 ( -6.105 -4.636 0.981) 7.728 20.989 ( 5.642 -4.980 -0.087) 7.526 21.645 ( 0.928 0.399 0.172) 1.025 21.667 ( -0.442 3.049 -1.728) 3.532 21.805 ( -0.006 2.510 2.322) 3.419 21.855 ( -0.225 2.628 -2.020) 3.322 22.883 ( 1.184 -2.269 0.669) 2.646 22.898 ( -0.784 -1.045 -0.237) 1.328 23.082 ( -2.169 -5.800 2.290) 6.602 23.135 ( 1.723 -6.602 -2.245) 7.183 ======================= Grid point 145 (64/86) ======================= q-point: (-0.20 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -1.386 3.657 5.035) 6.375 1.458 ( 6.077 -2.787 -9.015) 11.224 1.485 ( -9.557 9.557 2.780) 13.799 1.687 ( 4.919 9.369 -2.253) 10.819 1.823 ( -4.608 6.189 5.121) 9.261 1.958 ( 2.202 7.118 -0.464) 7.465 2.123 ( -3.672 -2.444 3.046) 5.361 2.252 ( 3.411 0.842 0.946) 3.639 2.374 ( 1.462 3.379 -4.484) 5.802 2.435 ( 6.949 -3.519 -3.500) 8.540 2.662 ( -1.136 -1.001 5.972) 6.161 2.730 ( -4.475 2.733 1.537) 5.464 2.812 ( -2.628 3.927 -1.795) 5.054 2.882 ( 5.810 -0.285 -0.026) 5.817 2.952 ( -0.649 3.980 -2.030) 4.515 2.990 ( -1.714 -2.830 -0.498) 3.345 3.091 ( 2.758 1.283 1.510) 3.396 3.210 ( 5.079 -4.130 -2.552) 7.026 3.277 ( -2.680 -0.877 2.313) 3.647 3.350 ( -5.083 0.862 -0.670) 5.199 3.389 ( 0.843 2.384 -3.852) 4.608 3.493 ( 4.062 -0.626 -2.877) 5.016 3.600 ( -6.641 -4.025 4.241) 8.848 3.677 ( 1.979 -2.685 2.514) 4.177 3.775 ( 1.372 2.778 1.493) 3.439 3.879 ( 3.232 -0.289 -3.653) 4.886 3.922 ( -7.266 -5.130 -0.054) 8.895 4.128 ( 6.295 -5.297 -3.120) 8.799 4.236 ( -4.370 -5.069 4.632) 8.139 4.328 ( 5.992 -4.152 1.084) 7.370 4.514 ( -7.425 -4.428 2.256) 8.934 4.663 ( 2.534 -0.782 -2.301) 3.511 4.780 ( 1.399 -1.679 -3.787) 4.373 4.831 ( 2.314 -2.445 -2.401) 4.135 5.025 ( -5.172 2.268 4.188) 7.031 5.116 ( -0.441 -2.701 0.209) 2.744 5.260 ( 0.870 0.665 1.942) 2.230 5.324 ( -0.737 1.204 3.060) 3.370 5.352 ( 0.008 1.524 0.156) 1.532 5.386 ( -1.872 1.345 -4.315) 4.892 5.630 ( -4.837 -0.198 0.052) 4.841 5.714 ( 6.044 0.171 -0.251) 6.052 5.852 ( -2.538 0.636 -0.999) 2.800 5.885 ( 5.438 3.183 2.403) 6.744 6.010 ( 3.308 5.809 0.800) 6.732 6.054 ( 1.677 8.464 -2.892) 9.101 6.311 ( -5.012 0.143 1.209) 5.157 6.426 ( 5.128 -0.955 -1.019) 5.315 6.550 ( -0.096 5.638 3.876) 6.843 6.627 ( 1.791 3.151 -3.752) 5.217 7.081 ( -4.859 -4.464 1.795) 6.838 7.188 ( -0.385 2.380 4.972) 5.526 7.267 ( 2.470 -3.063 -6.515) 7.611 7.372 ( 8.387 -0.024 -0.739) 8.420 7.652 ( -5.777 3.045 3.342) 7.335 7.872 ( 6.437 -0.322 -8.873) 10.966 8.310 ( -7.704 -5.173 5.155) 10.615 8.435 ( -0.603 -3.651 -2.402) 4.412 8.483 ( -3.745 -0.924 7.763) 8.668 8.551 ( -1.236 -2.793 3.249) 4.460 8.857 ( -3.834 4.350 -1.871) 6.092 8.971 ( 4.152 5.978 -7.417) 10.391 9.449 ( -4.598 1.327 1.994) 5.184 9.541 ( 3.220 3.427 -0.226) 4.708 9.855 ( -0.169 -0.618 1.172) 1.335 9.965 ( 6.069 -1.054 -2.385) 6.606 10.218 ( -1.546 -4.505 2.075) 5.196 10.294 ( 0.294 -3.309 -0.651) 3.385 10.433 ( -0.533 4.307 3.601) 5.639 10.532 ( 3.239 -0.018 -4.642) 5.660 10.736 ( -7.181 -0.760 -0.767) 7.262 10.825 ( 4.174 1.667 0.868) 4.578 10.968 ( -0.384 3.832 2.501) 4.592 10.979 ( -1.491 2.643 -0.808) 3.140 11.352 ( -1.893 4.087 -0.875) 4.589 11.380 ( 2.230 3.207 -0.227) 3.913 11.762 ( -2.545 2.342 1.861) 3.928 11.853 ( 3.516 2.176 -1.913) 4.556 12.231 ( -3.262 -5.324 2.611) 6.767 12.325 ( 2.567 -4.824 -2.241) 5.906 16.215 ( -0.995 -0.197 2.119) 2.349 16.283 ( 1.506 -1.961 -2.124) 3.260 18.182 ( -5.915 -3.247 -0.235) 6.752 18.280 ( 5.991 -4.421 0.861) 7.496 18.407 ( -2.812 4.130 0.199) 5.000 18.483 ( 3.158 4.481 -1.674) 5.732 18.999 ( -3.163 -1.758 5.935) 6.951 19.104 ( -7.466 -4.735 -2.243) 9.121 19.209 ( 2.925 -1.802 -4.293) 5.499 19.250 ( 3.120 -4.149 0.155) 5.193 19.559 ( 1.987 9.279 0.906) 9.532 19.599 ( 4.272 10.286 0.497) 11.149 20.969 ( -10.500 -0.855 0.226) 10.537 21.119 ( 7.383 -1.064 0.205) 7.462 21.626 ( 0.838 0.460 0.630) 1.145 21.640 ( 0.108 -0.380 -1.319) 1.377 21.776 ( -1.045 1.763 1.940) 2.822 21.830 ( 0.573 -1.308 -2.277) 2.688 22.870 ( -0.866 2.167 1.935) 3.032 22.937 ( 1.785 -1.086 -2.068) 2.940 23.160 ( -2.196 -3.692 3.202) 5.358 23.249 ( 1.208 -4.581 -2.558) 5.384 ======================= Grid point 146 (65/86) ======================= q-point: (-0.10 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -9.800 13.594 3.166) 17.055 1.231 ( 0.678 10.909 4.199) 11.709 1.494 ( 6.617 10.974 3.202) 13.208 1.536 ( 4.687 2.986 -2.059) 5.927 1.766 ( 3.104 1.241 -1.994) 3.892 1.929 ( 4.087 -1.973 -8.383) 9.533 2.074 ( -0.324 7.006 -2.909) 7.593 2.187 ( 9.294 6.069 2.906) 11.474 2.367 ( 0.535 -0.209 1.780) 1.870 2.415 ( 0.723 11.862 3.361) 12.350 2.591 ( -0.264 1.206 2.558) 2.841 2.729 ( 1.638 3.731 -4.040) 5.738 2.795 ( -0.649 -3.471 -0.382) 3.552 2.823 ( 2.949 6.404 2.653) 7.533 2.956 ( 0.993 -3.710 -0.847) 3.933 3.050 ( -3.609 -2.746 1.964) 4.942 3.120 ( 4.016 -0.450 -3.798) 5.546 3.203 ( 0.800 5.350 -2.221) 5.848 3.242 ( -7.131 1.435 0.069) 7.274 3.369 ( -0.289 -6.717 -0.635) 6.753 3.384 ( 0.320 -2.417 -1.494) 2.860 3.539 ( 0.173 -2.113 -1.115) 2.395 3.631 ( -4.279 -1.702 3.672) 5.889 3.680 ( -1.917 0.738 0.889) 2.239 3.805 ( 3.791 -2.459 3.213) 5.545 3.879 ( -3.615 -1.078 3.013) 4.828 3.972 ( -1.559 -3.421 -5.765) 6.883 4.209 ( -0.611 -3.614 0.208) 3.671 4.334 ( -1.816 -3.271 3.440) 5.082 4.433 ( 1.873 -1.094 -1.946) 2.914 4.480 ( -6.328 1.732 -0.181) 6.563 4.709 ( 5.997 -3.421 -3.003) 7.529 4.787 ( 0.801 0.977 -2.632) 2.920 4.861 ( -8.165 4.775 4.138) 10.324 4.898 ( 0.470 -1.021 -0.073) 1.126 5.163 ( -7.794 6.130 3.610) 10.553 5.182 ( 10.120 1.295 -2.886) 10.602 5.271 ( -6.255 1.513 -0.653) 6.469 5.313 ( -3.866 -1.721 1.496) 4.488 5.468 ( 4.651 -4.696 0.137) 6.611 5.653 ( -2.163 -3.991 -1.225) 4.702 5.773 ( 6.115 -1.962 -2.239) 6.801 5.811 ( 6.006 5.492 1.641) 8.302 5.856 ( 0.074 -1.544 -0.323) 1.579 5.982 ( 1.192 2.802 0.139) 3.048 6.018 ( 8.940 -1.750 -1.600) 9.249 6.318 ( -2.342 -3.288 4.492) 6.039 6.437 ( 0.298 6.060 2.190) 6.451 6.490 ( 4.469 -1.295 -1.937) 5.040 6.614 ( 6.506 0.175 -2.042) 6.821 7.127 ( -2.679 -3.357 -2.151) 4.803 7.159 ( 0.645 1.821 2.410) 3.089 7.331 ( 0.658 -3.776 -0.478) 3.862 7.515 ( 3.911 -7.329 0.455) 8.319 7.602 ( -1.635 -1.586 1.813) 2.911 7.922 ( 5.478 -1.509 -8.363) 10.111 8.342 ( -9.064 -4.406 4.302) 10.958 8.402 ( -7.832 1.741 -0.795) 8.063 8.481 ( -2.682 -0.489 2.300) 3.567 8.599 ( -4.944 -0.809 11.219) 12.287 8.769 ( 3.003 2.674 -5.576) 6.875 8.896 ( 2.240 2.574 -5.607) 6.564 9.381 ( -2.181 2.979 -0.730) 3.764 9.490 ( 4.242 3.761 0.877) 5.737 9.892 ( 1.263 -2.754 -0.528) 3.075 10.022 ( 1.963 -1.015 1.497) 2.669 10.316 ( -0.067 -4.052 -1.326) 4.264 10.342 ( -2.924 -0.652 2.498) 3.900 10.389 ( 3.223 -1.789 -0.771) 3.766 10.602 ( 5.810 -1.173 -2.491) 6.430 10.706 ( -4.521 -2.184 -1.659) 5.288 10.759 ( -1.967 0.881 3.840) 4.404 10.932 ( -0.704 1.152 -0.362) 1.398 11.010 ( 2.089 -2.519 0.599) 3.327 11.267 ( 0.251 2.979 -0.918) 3.128 11.347 ( 3.443 2.732 -0.652) 4.444 11.694 ( -1.289 3.372 2.572) 4.432 11.811 ( 2.242 3.396 -2.045) 4.555 12.342 ( -3.689 -8.226 1.182) 9.092 12.440 ( 0.471 -5.749 -0.981) 5.851 16.219 ( -1.194 -0.609 2.271) 2.637 16.338 ( 1.458 -3.240 -2.327) 4.247 18.141 ( -7.209 2.508 -0.398) 7.643 18.284 ( -2.121 3.538 2.406) 4.775 18.405 ( 2.220 6.009 -1.952) 6.696 18.482 ( 8.350 -7.560 -0.507) 11.275 19.005 ( -5.904 -2.112 1.641) 6.481 19.115 ( -10.059 -2.540 0.046) 10.375 19.239 ( 2.561 -0.277 0.684) 2.665 19.296 ( -3.454 -2.147 -1.944) 4.508 19.513 ( 11.652 -0.341 -0.774) 11.682 19.584 ( 10.995 -0.391 0.913) 11.040 20.817 ( -11.263 7.405 -0.618) 13.493 21.131 ( 6.666 5.316 0.820) 8.565 21.651 ( -0.085 -0.376 0.026) 0.386 21.660 ( 0.492 -1.596 -0.474) 1.736 21.760 ( -1.553 -2.238 4.280) 5.073 21.894 ( 1.176 -5.206 -5.048) 7.346 22.812 ( -1.064 3.714 4.415) 5.866 22.946 ( 2.202 0.970 -4.848) 5.412 23.201 ( -3.562 -1.992 4.440) 6.031 23.310 ( -1.459 -2.248 -3.099) 4.097 ======================= Grid point 151 (66/86) ======================= q-point: ( 0.40 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 6.311 0.000 3.487) 7.210 1.303 ( 6.468 0.000 -2.692) 7.006 1.504 ( 14.654 0.000 0.798) 14.676 1.730 ( 17.727 0.000 -3.701) 18.109 1.932 ( 3.264 0.000 0.035) 3.264 2.044 ( -7.151 -0.000 1.614) 7.331 2.089 ( -9.535 -0.000 4.308) 10.463 2.100 ( -5.133 -0.000 0.304) 5.142 2.286 ( -2.706 -0.000 2.152) 3.458 2.302 ( -1.895 -0.000 -4.613) 4.987 2.471 ( 19.700 0.000 -4.836) 20.285 2.693 ( 14.811 0.000 -3.300) 15.174 2.741 ( 5.846 0.000 -0.127) 5.847 2.837 ( -9.420 -0.000 5.408) 10.862 2.891 ( -2.416 -0.000 1.605) 2.900 2.973 ( 0.663 0.000 -5.482) 5.522 3.114 ( 12.075 0.000 3.268) 12.509 3.212 ( -6.985 -0.000 7.638) 10.351 3.325 ( 2.090 0.000 -11.389) 11.579 3.384 ( -1.626 -0.000 2.293) 2.811 3.465 ( 6.412 0.000 -0.089) 6.412 3.588 ( -12.280 -0.000 4.756) 13.169 3.626 ( -1.671 -0.000 -3.763) 4.117 3.655 ( 9.516 0.000 3.600) 10.174 3.904 ( -0.582 -0.000 0.906) 1.077 3.935 ( 0.728 0.000 -0.186) 0.751 3.944 ( 8.253 0.000 -4.378) 9.342 4.111 ( -9.027 -0.000 6.098) 10.894 4.187 ( -10.193 -0.000 2.407) 10.474 4.378 ( -4.287 -0.000 2.057) 4.755 4.399 ( -7.050 -0.000 -2.024) 7.335 4.414 ( -3.632 -0.000 -7.462) 8.299 4.678 ( 1.431 0.000 -5.983) 6.152 4.682 ( -6.863 -0.000 0.674) 6.896 4.863 ( 0.131 0.000 -1.007) 1.016 4.893 ( -2.892 -0.000 5.237) 5.982 4.968 ( -6.527 -0.000 0.047) 6.527 5.008 ( -0.233 -0.000 -1.920) 1.934 5.160 ( -3.181 -0.000 9.682) 10.191 5.434 ( -0.307 -0.000 -9.506) 9.511 5.599 ( 2.980 0.000 -0.287) 2.994 5.631 ( -3.625 -0.000 4.711) 5.944 5.898 ( 8.287 0.000 -5.334) 9.856 5.934 ( -3.084 -0.000 4.580) 5.521 6.354 ( 6.628 0.000 -1.304) 6.755 6.493 ( -2.326 -0.000 2.625) 3.507 6.680 ( 10.019 0.000 -6.764) 12.088 6.699 ( 0.440 0.000 2.761) 2.795 6.904 ( 2.814 0.000 -1.004) 2.988 6.950 ( 2.010 0.000 0.368) 2.044 7.148 ( -5.443 -0.000 2.191) 5.867 7.405 ( 1.681 0.000 4.196) 4.520 7.447 ( -2.785 -0.000 -1.274) 3.062 7.568 ( -7.699 -0.000 -3.245) 8.355 7.881 ( 0.651 0.000 -1.149) 1.321 7.899 ( 1.262 0.000 -2.362) 2.678 8.138 ( -2.825 -0.000 8.190) 8.664 8.368 ( -0.064 -0.000 -1.883) 1.884 8.614 ( 1.420 0.000 -0.747) 1.604 8.783 ( -0.389 -0.000 -4.778) 4.794 9.065 ( -5.988 -0.000 9.930) 11.596 9.178 ( 5.183 0.000 -5.620) 7.645 9.447 ( 0.106 0.000 1.421) 1.425 9.544 ( -3.875 -0.000 -1.588) 4.188 9.813 ( -5.303 -0.000 6.263) 8.207 9.832 ( 5.906 0.000 -7.919) 9.879 10.192 ( 0.062 0.000 2.997) 2.998 10.306 ( -1.345 -0.000 -2.168) 2.551 10.567 ( 0.643 0.000 1.149) 1.316 10.651 ( 3.018 0.000 -0.386) 3.042 10.976 ( 6.236 0.000 0.911) 6.302 11.007 ( 1.477 0.000 -1.036) 1.804 11.057 ( 1.843 0.000 -1.440) 2.339 11.163 ( -2.299 -0.000 2.575) 3.452 11.435 ( 0.926 0.000 -2.500) 2.666 11.451 ( -4.753 -0.000 1.224) 4.908 12.307 ( 7.857 0.000 -3.160) 8.469 12.320 ( 3.135 0.000 3.693) 4.844 12.553 ( -3.410 -0.000 0.897) 3.526 12.573 ( -0.305 -0.000 -1.004) 1.049 16.143 ( -2.961 -0.000 0.298) 2.976 16.268 ( -11.480 -0.000 0.298) 11.484 18.173 ( 5.177 0.000 0.377) 5.191 18.194 ( 6.648 0.000 -0.435) 6.663 18.403 ( 2.626 0.000 -0.192) 2.633 18.447 ( 1.576 0.000 0.384) 1.622 18.907 ( -3.550 -0.000 -0.744) 3.627 18.915 ( -5.565 -0.000 0.606) 5.598 19.328 ( -0.873 -0.000 1.158) 1.450 19.520 ( -2.206 -0.000 -5.421) 5.853 19.970 ( 0.933 0.000 15.582) 15.610 20.509 ( 6.753 0.000 -22.718) 23.700 21.116 ( 14.755 0.000 4.783) 15.510 21.140 ( 2.194 0.000 9.627) 9.874 21.630 ( -3.114 -0.000 2.700) 4.121 21.943 ( 0.418 0.000 -7.038) 7.051 22.083 ( -7.001 -0.000 10.302) 12.456 22.099 ( 5.508 0.000 -6.256) 8.336 22.363 ( -0.177 -0.000 -1.474) 1.485 22.471 ( -7.736 -0.000 -1.638) 7.907 22.604 ( -0.914 -0.000 0.928) 1.303 22.676 ( -2.983 -0.000 0.402) 3.010 ======================= Grid point 152 (67/86) ======================= q-point: ( 0.50 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -0.324 -2.749 5.543) 6.195 1.386 ( 4.284 -5.049 -4.995) 8.294 1.545 ( 5.887 6.333 6.158) 10.615 1.764 ( 9.527 6.615 -8.835) 14.580 1.877 ( 0.809 2.733 3.421) 4.452 1.962 ( 0.746 -1.169 -3.373) 3.646 2.135 ( -3.802 -5.492 2.863) 7.267 2.180 ( -0.783 -5.149 0.795) 5.269 2.280 ( -0.921 -2.024 0.207) 2.233 2.328 ( -2.648 -4.795 -3.721) 6.622 2.661 ( 16.542 -4.653 -5.342) 17.995 2.699 ( -6.159 1.958 5.170) 8.277 2.800 ( -3.611 -1.039 1.948) 4.233 2.821 ( 5.811 -2.600 -3.036) 7.052 2.883 ( -5.004 -0.828 5.589) 7.547 2.989 ( 2.899 -0.588 -5.467) 6.216 3.133 ( -6.692 2.631 7.598) 10.462 3.221 ( 10.625 -0.498 0.630) 10.655 3.281 ( 1.312 3.567 -6.744) 7.741 3.350 ( -0.639 1.648 -2.248) 2.860 3.482 ( -2.951 2.037 3.247) 4.838 3.517 ( 1.562 1.127 -0.707) 2.052 3.598 ( 2.852 0.151 0.562) 2.911 3.760 ( 5.949 7.044 2.773) 9.628 3.808 ( -6.916 0.119 0.033) 6.917 3.909 ( -0.522 2.266 -2.758) 3.608 3.939 ( 5.237 3.404 2.174) 6.613 4.052 ( -5.340 1.815 -1.193) 5.765 4.170 ( -3.457 0.832 6.205) 7.152 4.313 ( -1.276 -0.983 -2.497) 2.971 4.367 ( -7.223 -1.675 0.604) 7.440 4.418 ( -0.056 -3.368 -6.862) 7.644 4.588 ( -3.426 3.169 3.288) 5.709 4.724 ( -0.774 -2.753 -6.997) 7.559 4.863 ( -0.695 -0.509 1.286) 1.548 4.910 ( -3.070 -0.611 -0.857) 3.245 4.987 ( -1.941 -5.587 2.540) 6.437 5.006 ( -1.927 -1.947 2.456) 3.679 5.184 ( 3.472 -2.720 5.370) 6.949 5.432 ( -2.424 -1.676 -7.759) 8.300 5.586 ( 0.971 0.548 3.795) 3.955 5.670 ( -0.849 -2.421 -0.752) 2.673 5.930 ( -4.079 -1.775 4.818) 6.557 5.972 ( 7.103 -1.631 -4.936) 8.802 6.396 ( 6.131 0.683 -1.173) 6.280 6.466 ( -1.765 0.939 0.001) 1.999 6.681 ( -5.074 0.557 4.445) 6.768 6.720 ( 6.427 1.745 -5.010) 8.334 6.881 ( 0.128 5.960 1.973) 6.280 6.939 ( 2.995 2.330 -4.139) 5.615 7.138 ( -1.088 -0.048 5.536) 5.642 7.352 ( -3.048 4.255 -0.656) 5.275 7.400 ( 3.530 1.688 -0.638) 3.964 7.500 ( -7.373 1.736 -1.753) 7.775 7.908 ( -1.273 -3.049 1.376) 3.579 7.942 ( 3.616 -2.893 -3.137) 5.593 8.157 ( -0.458 -0.974 7.325) 7.404 8.346 ( -1.921 0.516 -3.882) 4.362 8.534 ( 2.960 9.338 1.240) 9.874 8.677 ( -2.509 8.462 -5.177) 10.233 9.039 ( -2.441 0.167 10.524) 10.805 9.221 ( 3.288 -1.840 -6.793) 7.768 9.454 ( 0.587 -0.191 1.703) 1.812 9.526 ( -0.766 0.189 -2.043) 2.190 9.792 ( -6.565 -1.217 6.109) 9.050 9.866 ( 6.237 -0.258 -7.652) 9.876 10.190 ( -1.305 0.635 3.633) 3.912 10.277 ( -0.878 1.377 -2.790) 3.232 10.589 ( 1.735 -0.884 2.096) 2.862 10.663 ( 0.999 0.061 -1.035) 1.440 10.968 ( 0.696 4.249 0.275) 4.314 11.005 ( -0.799 1.068 -1.019) 1.678 11.101 ( 6.839 -1.552 0.085) 7.014 11.184 ( -3.049 -3.710 0.839) 4.875 11.446 ( -0.684 -3.237 1.003) 3.457 11.491 ( -1.165 -4.662 -1.438) 5.016 12.189 ( 7.507 12.857 1.295) 14.944 12.339 ( -6.308 9.842 -1.491) 11.785 12.409 ( 7.148 5.745 0.973) 9.222 12.524 ( -4.677 4.752 -0.575) 6.692 16.141 ( -0.528 -1.162 0.628) 1.422 16.207 ( -6.240 -0.987 -0.309) 6.325 18.150 ( 4.979 4.379 0.262) 6.636 18.203 ( -0.121 2.258 -0.365) 2.291 18.454 ( 8.623 -4.299 0.040) 9.635 18.578 ( -6.147 -8.987 -0.007) 10.888 18.865 ( -2.287 0.933 0.879) 2.622 18.889 ( -1.998 0.391 -0.852) 2.207 19.253 ( 0.805 7.507 3.535) 8.337 19.467 ( -3.475 1.954 -8.808) 9.668 19.997 ( 0.807 1.410 17.304) 17.380 20.455 ( 3.838 4.196 -19.180) 20.005 21.058 ( 9.244 8.596 6.775) 14.326 21.236 ( 0.336 3.299 2.053) 3.900 21.597 ( -1.182 0.986 3.155) 3.510 21.787 ( -0.525 7.152 -6.331) 9.566 22.008 ( -1.711 3.867 5.901) 7.260 22.137 ( 0.610 1.880 -4.469) 4.887 22.482 ( 0.139 -9.874 1.417) 9.976 22.559 ( -4.430 -12.031 -1.578) 12.917 22.649 ( 0.628 -5.466 1.024) 5.597 22.707 ( -2.609 -4.423 -0.326) 5.146 ======================= Grid point 153 (68/86) ======================= q-point: (-0.40 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -5.911 1.405 8.807) 10.700 1.410 ( -4.993 -1.308 5.397) 7.468 1.593 ( 5.585 -2.448 -8.304) 10.302 1.668 ( 8.622 2.343 -11.429) 14.506 1.906 ( 3.474 -1.548 3.534) 5.191 1.995 ( 0.283 -1.052 -3.447) 3.616 2.172 ( -11.585 -4.410 6.307) 13.908 2.270 ( 6.286 -0.718 -1.082) 6.418 2.346 ( 3.864 -2.793 -0.763) 4.828 2.389 ( -3.621 -2.313 -2.523) 4.983 2.616 ( -7.409 1.111 9.451) 12.061 2.776 ( -6.003 1.625 0.275) 6.225 2.821 ( 1.711 -2.224 0.613) 2.873 2.856 ( 6.103 -2.192 -3.069) 7.174 2.920 ( 0.221 -4.076 1.118) 4.232 2.996 ( 0.594 0.486 -3.472) 3.556 3.137 ( 1.710 -3.215 2.182) 4.245 3.223 ( 1.368 1.550 -5.697) 6.060 3.303 ( 2.310 -2.295 -0.682) 3.327 3.322 ( 0.119 -0.473 -1.378) 1.462 3.421 ( -2.279 1.091 2.744) 3.730 3.491 ( 1.588 1.712 -2.247) 3.241 3.581 ( -7.262 7.448 5.197) 11.628 3.632 ( 7.886 5.641 0.356) 9.703 3.783 ( -3.116 -1.284 1.608) 3.734 3.831 ( 1.452 2.626 -2.420) 3.855 3.911 ( -6.799 3.900 -0.142) 7.840 3.949 ( 5.854 3.653 -2.292) 7.271 4.209 ( 9.207 0.208 2.284) 9.488 4.272 ( -7.508 2.188 -2.308) 8.154 4.348 ( -8.756 -2.410 5.334) 10.533 4.500 ( 5.969 -3.641 -8.130) 10.723 4.573 ( -0.412 -2.078 7.673) 7.960 4.743 ( 0.060 -2.695 -6.219) 6.778 4.870 ( -2.365 0.453 2.806) 3.698 4.902 ( 3.871 -1.650 -2.494) 4.892 5.103 ( -1.946 -6.959 2.750) 7.731 5.123 ( 1.162 -8.035 1.480) 8.253 5.294 ( 4.049 -3.546 3.135) 6.228 5.405 ( -6.295 -0.801 -5.689) 8.522 5.622 ( 2.595 -1.706 4.154) 5.186 5.693 ( -0.012 -0.854 -2.078) 2.247 5.954 ( -2.756 -2.405 2.003) 4.171 6.013 ( 2.719 1.203 -2.965) 4.199 6.403 ( 1.096 1.702 0.620) 2.117 6.447 ( 0.970 0.837 -3.559) 3.783 6.619 ( -6.787 1.419 3.574) 7.801 6.694 ( 4.884 9.697 -1.622) 10.978 6.718 ( -2.218 5.413 3.989) 7.081 6.837 ( 2.599 8.499 -5.213) 10.303 7.129 ( 1.162 3.115 7.112) 7.851 7.276 ( 2.283 2.668 -2.227) 4.158 7.372 ( -11.111 2.926 -1.112) 11.544 7.444 ( 7.940 -0.775 -4.318) 9.071 7.973 ( -4.245 -5.011 3.949) 7.663 8.049 ( 3.591 -6.103 -2.108) 7.388 8.153 ( -1.024 3.930 6.183) 7.397 8.275 ( -0.648 7.856 -4.527) 9.089 8.390 ( 2.754 5.065 2.592) 6.321 8.481 ( -1.139 6.327 -5.498) 8.459 9.056 ( -1.795 -0.458 9.424) 9.605 9.245 ( 2.356 0.646 -7.085) 7.494 9.457 ( -0.536 0.219 2.169) 2.245 9.519 ( 1.875 0.161 -3.529) 3.999 9.780 ( -7.143 -1.930 5.370) 9.143 9.909 ( 6.382 -0.643 -6.217) 8.933 10.171 ( -1.297 0.738 3.569) 3.869 10.232 ( -0.398 2.150 -1.773) 2.815 10.630 ( 1.964 -1.345 1.825) 3.000 10.670 ( -1.634 -1.275 -1.588) 2.611 10.870 ( -0.076 6.305 1.985) 6.611 10.931 ( -0.018 5.173 -3.490) 6.241 11.180 ( 2.401 -1.166 3.408) 4.329 11.238 ( -1.793 -3.483 -1.880) 4.345 11.534 ( -1.679 -5.442 2.294) 6.140 11.587 ( 1.335 -5.537 -2.268) 6.131 11.933 ( 0.068 17.412 2.745) 17.628 11.995 ( -0.228 18.927 -2.624) 19.110 12.353 ( 0.061 5.143 1.979) 5.510 12.400 ( 0.062 4.523 -2.102) 4.988 16.176 ( 1.042 -1.738 1.106) 2.309 16.200 ( -1.012 -1.196 -0.930) 1.822 18.122 ( -0.525 1.856 0.633) 2.031 18.137 ( 0.501 2.252 -0.700) 2.411 18.620 ( 0.925 -3.158 1.300) 3.538 18.656 ( -1.243 -5.542 -1.872) 5.981 18.852 ( -0.353 -0.368 0.309) 0.596 18.863 ( 0.391 0.288 -0.834) 0.965 19.126 ( 2.055 7.055 8.765) 11.438 19.358 ( -2.584 3.598 -12.803) 13.547 20.003 ( -0.306 2.831 16.738) 16.979 20.348 ( 2.103 6.048 -15.056) 16.361 20.991 ( 10.115 6.727 3.573) 12.662 21.030 ( -11.254 10.426 0.885) 15.367 21.608 ( -0.132 -1.532 2.937) 3.315 21.713 ( 0.905 0.724 -5.865) 5.979 21.946 ( -1.090 3.432 5.300) 6.408 22.045 ( 0.499 5.971 -3.682) 7.033 22.702 ( 3.994 -9.268 1.283) 10.173 22.738 ( -2.527 -8.577 -1.485) 9.064 22.771 ( -3.933 -7.758 2.584) 9.073 22.823 ( 2.541 -8.629 -1.855) 9.184 ======================= Grid point 154 (69/86) ======================= q-point: (-0.30 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -3.193 -1.765 0.092) 3.649 1.426 ( 0.071 1.361 -3.581) 3.831 1.564 ( -5.274 -3.407 0.827) 6.333 1.777 ( 5.552 -1.865 -3.111) 6.632 1.952 ( -4.475 -0.530 0.578) 4.543 2.051 ( 3.889 -5.735 -1.767) 7.151 2.202 ( -4.513 -1.137 1.476) 4.882 2.214 ( -11.755 4.187 7.084) 14.349 2.297 ( 1.842 0.692 2.423) 3.122 2.411 ( 5.599 2.702 -0.574) 6.244 2.680 ( 0.379 -4.179 2.730) 5.006 2.706 ( -0.236 0.192 -2.871) 2.887 2.843 ( -4.640 -1.139 -0.089) 4.779 2.903 ( 6.502 3.575 -4.962) 8.926 2.956 ( -0.498 0.402 -0.784) 1.012 3.004 ( -2.661 -4.604 1.851) 5.631 3.207 ( -2.767 -2.964 0.373) 4.071 3.217 ( 5.244 1.201 -2.521) 5.941 3.313 ( -5.517 -0.572 2.522) 6.093 3.362 ( -3.887 2.780 -1.611) 5.043 3.414 ( 3.301 -0.948 -1.355) 3.692 3.432 ( -1.887 0.369 1.153) 2.242 3.523 ( 1.070 -3.267 -1.748) 3.857 3.571 ( 9.777 4.648 -0.124) 10.827 3.742 ( -8.663 -0.120 4.690) 9.851 3.823 ( -0.973 -2.823 -1.824) 3.499 3.879 ( 5.511 1.090 -0.576) 5.648 3.945 ( 7.865 2.691 -1.112) 8.387 4.150 ( -9.097 -0.274 -0.997) 9.156 4.279 ( 5.942 0.173 1.607) 6.158 4.362 ( -2.619 -2.749 3.265) 5.008 4.572 ( 4.152 -1.780 -3.267) 5.575 4.669 ( 2.219 -4.221 3.863) 6.137 4.780 ( 0.615 -1.458 -4.118) 4.411 4.890 ( -1.909 -3.502 1.940) 4.435 4.984 ( 5.555 -3.684 -3.140) 7.368 5.210 ( -2.237 -4.469 3.552) 6.132 5.279 ( 2.529 -5.829 -0.033) 6.354 5.346 ( -8.736 -2.081 -2.789) 9.404 5.375 ( 1.088 -0.265 3.365) 3.547 5.680 ( 0.036 -0.815 -0.713) 1.083 5.713 ( 3.920 -0.989 0.413) 4.064 5.947 ( 0.176 3.535 1.337) 3.783 5.989 ( 1.076 -0.110 -3.254) 3.429 6.342 ( -5.233 6.999 -0.103) 8.739 6.383 ( -1.657 3.259 0.959) 3.780 6.445 ( -1.583 11.611 3.674) 12.281 6.561 ( 4.889 5.091 -3.763) 7.998 6.672 ( -0.891 2.907 -0.656) 3.110 6.712 ( 2.451 3.638 -1.046) 4.510 7.064 ( -1.969 4.274 6.177) 7.765 7.231 ( -6.515 2.583 -4.888) 8.545 7.278 ( 4.664 0.873 2.091) 5.185 7.496 ( 8.889 1.693 -4.851) 10.267 7.970 ( -2.965 7.723 1.560) 8.419 8.035 ( 1.182 9.992 0.167) 10.063 8.096 ( -4.709 -1.408 2.786) 5.650 8.212 ( 2.965 -7.738 -0.631) 8.311 8.385 ( -1.084 -1.786 1.774) 2.741 8.439 ( -0.451 -1.834 -2.940) 3.494 9.028 ( -5.721 2.884 6.241) 8.944 9.199 ( 2.709 4.396 -5.846) 7.800 9.459 ( -1.355 -0.176 1.362) 1.929 9.529 ( -0.612 -1.672 -2.613) 3.162 9.792 ( -2.243 -2.683 2.801) 4.481 9.958 ( 6.388 -0.115 -3.961) 7.517 10.169 ( -0.163 -0.164 3.004) 3.013 10.196 ( 0.293 0.501 -0.318) 0.662 10.646 ( -4.491 1.781 -2.069) 5.255 10.671 ( 1.953 0.662 2.721) 3.414 10.759 ( -1.713 4.165 -0.053) 4.504 10.818 ( 4.367 5.676 -2.588) 7.615 11.155 ( -4.071 4.606 5.272) 8.099 11.251 ( -1.270 1.528 -3.329) 3.877 11.551 ( -3.541 7.220 -0.059) 8.042 11.599 ( 0.402 8.952 -0.177) 8.963 11.718 ( -1.322 0.869 1.905) 2.476 11.750 ( -1.173 -3.112 -1.777) 3.771 12.272 ( 2.608 4.863 2.565) 6.085 12.319 ( 2.019 4.107 -2.696) 5.312 16.211 ( -0.239 -1.298 -1.273) 1.833 16.226 ( 3.131 -0.476 1.368) 3.450 18.069 ( -5.806 -0.943 -0.076) 5.883 18.160 ( 5.121 -0.820 0.047) 5.187 18.572 ( -7.535 1.863 0.445) 7.775 18.676 ( 3.802 5.580 -1.528) 6.922 18.892 ( -1.956 -3.271 -0.734) 3.881 18.952 ( 5.825 -7.066 0.005) 9.158 19.058 ( -2.413 2.943 8.979) 9.752 19.275 ( 3.534 2.111 -10.323) 11.113 19.928 ( -1.356 7.902 12.036) 14.462 20.148 ( 0.225 13.432 -10.478) 17.037 20.817 ( -14.328 -0.642 1.279) 14.399 21.010 ( 9.214 -0.088 1.200) 9.293 21.643 ( -0.554 -1.261 1.272) 1.875 21.702 ( 1.725 0.900 -3.027) 3.599 21.865 ( -2.605 3.943 2.288) 5.250 21.935 ( 1.455 5.621 -1.826) 6.086 22.828 ( -0.593 -4.461 2.026) 4.935 22.846 ( 0.402 -3.974 -1.708) 4.345 22.939 ( 0.763 -8.484 1.427) 8.637 23.010 ( 3.291 -8.253 -1.270) 8.975 ======================= Grid point 155 (70/86) ======================= q-point: (-0.20 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -0.399 -6.543 -7.365) 9.860 1.373 ( 0.731 2.716 -4.909) 5.658 1.569 ( -5.079 2.393 3.269) 6.497 1.806 ( 1.792 1.351 1.728) 2.833 1.902 ( -11.532 3.934 12.577) 17.511 1.975 ( -5.335 -2.029 -2.750) 6.336 2.149 ( 0.333 4.869 1.919) 5.244 2.297 ( 1.643 -2.239 -3.642) 4.580 2.344 ( 3.872 -2.194 -0.089) 4.451 2.413 ( 8.501 -2.935 0.232) 8.997 2.645 ( -5.703 -1.117 -1.487) 5.998 2.742 ( -0.358 5.480 2.003) 5.845 2.829 ( -2.002 -4.134 -2.001) 5.010 2.875 ( 2.033 0.050 -1.901) 2.784 2.957 ( 0.442 0.319 0.540) 0.768 3.069 ( 1.068 1.675 -2.531) 3.217 3.174 ( -6.406 2.727 5.198) 8.688 3.192 ( 4.829 3.387 2.025) 6.236 3.271 ( 3.494 0.793 -4.959) 6.118 3.331 ( -0.851 -0.391 -2.189) 2.381 3.355 ( -4.132 -2.937 1.960) 5.435 3.529 ( -2.749 3.365 -2.453) 4.990 3.566 ( 3.765 -0.881 1.456) 4.132 3.602 ( 2.994 -4.966 1.015) 5.887 3.763 ( -4.827 -6.030 0.843) 7.770 3.855 ( 4.888 1.768 -2.730) 5.871 3.887 ( 1.911 0.176 -1.091) 2.208 4.018 ( 4.442 -6.524 0.867) 7.940 4.145 ( -4.167 -2.913 2.265) 5.566 4.332 ( 0.968 -3.032 1.805) 3.659 4.411 ( 3.102 -1.128 1.189) 3.509 4.638 ( 3.152 -2.688 -2.411) 4.793 4.746 ( 0.237 -2.046 -1.931) 2.823 4.812 ( 4.587 -1.467 -1.239) 4.973 4.978 ( -0.402 -6.260 2.095) 6.614 5.048 ( -3.677 0.455 -0.008) 3.705 5.231 ( -4.686 -2.148 -3.120) 6.026 5.314 ( -5.636 -1.259 -0.617) 5.808 5.372 ( -1.033 0.304 5.504) 5.609 5.392 ( 4.429 -1.483 1.889) 5.039 5.638 ( -2.703 3.283 -0.695) 4.309 5.757 ( 3.774 -0.589 -1.472) 4.093 5.910 ( 1.667 4.016 0.452) 4.372 5.983 ( 7.414 2.138 -2.383) 8.075 6.125 ( -4.321 6.806 3.680) 8.862 6.223 ( -5.624 7.737 -0.234) 9.567 6.353 ( 3.397 5.486 -0.551) 6.476 6.472 ( 3.547 4.100 -2.013) 5.783 6.614 ( -2.724 1.576 -1.747) 3.599 6.694 ( 2.634 2.245 1.314) 3.702 7.002 ( -3.490 0.198 3.493) 4.942 7.151 ( -4.579 0.230 -0.704) 4.639 7.328 ( 9.051 0.208 -1.615) 9.196 7.500 ( 9.666 4.386 -0.679) 10.636 7.743 ( -2.858 10.452 -1.588) 10.951 7.916 ( 2.599 3.251 -3.830) 5.657 8.142 ( -9.156 -5.754 4.985) 11.908 8.336 ( -2.765 -4.368 -3.761) 6.393 8.441 ( 0.027 -3.362 6.812) 7.596 8.482 ( -1.406 -3.527 0.951) 3.914 8.900 ( -7.462 4.889 2.139) 9.174 9.102 ( 1.855 6.035 -6.613) 9.143 9.430 ( -4.234 0.602 0.919) 4.375 9.568 ( 0.736 -2.111 -0.565) 2.306 9.850 ( 2.303 -1.973 0.871) 3.155 9.996 ( 5.486 -0.085 -1.991) 5.836 10.174 ( 1.200 -0.430 2.178) 2.523 10.237 ( 1.156 -2.861 0.412) 3.113 10.556 ( -2.333 2.624 -3.725) 5.119 10.568 ( -0.070 8.310 4.324) 9.368 10.698 ( -2.181 1.558 -1.265) 2.964 10.840 ( 4.713 -2.251 -0.755) 5.278 11.012 ( -5.436 5.266 1.466) 7.709 11.112 ( -3.656 8.811 -0.410) 9.548 11.404 ( -2.776 3.762 0.078) 4.677 11.463 ( 0.439 4.925 -0.243) 4.950 11.737 ( -3.411 -2.596 0.347) 4.301 11.862 ( 1.959 -4.715 -0.300) 5.115 12.193 ( -0.254 4.068 0.688) 4.133 12.306 ( 4.689 -0.068 -0.697) 4.741 16.219 ( 0.505 0.288 -0.013) 0.582 16.262 ( 1.826 -1.022 0.025) 2.093 18.076 ( -3.994 -3.577 -0.366) 5.374 18.244 ( 5.130 -3.650 0.657) 6.330 18.466 ( -4.858 4.179 0.286) 6.415 18.586 ( 2.131 4.994 -1.658) 5.677 18.943 ( -3.504 -4.365 -0.192) 5.600 19.008 ( -3.173 1.370 5.686) 6.654 19.121 ( 2.813 -6.217 -1.980) 7.105 19.273 ( 4.903 0.984 -3.740) 6.245 19.765 ( 1.212 9.756 5.054) 11.054 19.849 ( -0.592 13.847 -4.027) 14.433 20.808 ( -11.191 -6.438 0.443) 12.918 21.116 ( 6.347 -3.378 0.661) 7.221 21.640 ( -0.446 0.612 -1.187) 1.407 21.681 ( 1.724 2.764 -0.233) 3.266 21.807 ( -1.123 0.832 2.565) 2.921 21.841 ( -0.123 4.001 -2.413) 4.674 22.886 ( 0.295 -0.587 -1.061) 1.248 22.904 ( -0.205 -3.161 1.714) 3.602 23.074 ( 0.714 -4.801 0.866) 4.930 23.165 ( 2.719 -5.563 -1.069) 6.283 ======================= Grid point 156 (71/86) ======================= q-point: (-0.10 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -7.730 9.584 5.617) 13.534 1.387 ( -1.073 2.030 -2.592) 3.463 1.514 ( 4.771 -3.051 -9.272) 10.864 1.757 ( 4.939 6.015 0.807) 7.825 1.798 ( -1.933 2.557 6.994) 7.693 1.994 ( 1.580 6.596 2.429) 7.204 2.063 ( -3.516 -4.936 -2.058) 6.400 2.309 ( 1.483 1.506 2.463) 3.245 2.393 ( 2.699 0.909 -4.481) 5.310 2.535 ( 6.351 -1.491 0.023) 6.524 2.635 ( -4.090 -1.185 0.096) 4.259 2.732 ( 2.389 -2.484 -0.671) 3.511 2.782 ( 0.465 7.891 0.761) 7.942 2.907 ( -1.787 0.350 -0.528) 1.895 2.936 ( -3.926 -4.526 0.381) 6.004 2.971 ( 2.922 3.725 -1.841) 5.079 3.155 ( -0.178 0.544 4.556) 4.592 3.228 ( -1.190 -3.316 4.428) 5.659 3.283 ( 2.913 -0.319 -1.888) 3.486 3.304 ( 2.067 6.047 -5.107) 8.180 3.370 ( -1.205 0.653 -2.164) 2.562 3.449 ( -6.430 -4.019 1.519) 7.733 3.577 ( 1.352 0.149 0.141) 1.368 3.727 ( 2.713 -1.740 0.540) 3.268 3.811 ( 0.031 0.438 2.746) 2.781 3.832 ( -0.870 -0.973 -0.603) 1.438 3.919 ( 0.845 -1.477 -5.634) 5.886 4.158 ( -0.606 -1.577 -0.380) 1.732 4.218 ( 0.157 -8.334 3.961) 9.228 4.411 ( 0.587 -3.270 1.333) 3.580 4.449 ( 2.380 -0.430 0.565) 2.484 4.695 ( 2.456 -1.520 -3.167) 4.287 4.766 ( -1.150 -2.069 -3.697) 4.390 4.878 ( -1.124 2.606 1.587) 3.251 4.898 ( -4.620 2.868 1.235) 5.577 5.127 ( -0.591 -7.445 0.942) 7.528 5.223 ( -5.449 -1.438 -1.487) 5.829 5.286 ( -5.270 5.914 3.898) 8.829 5.308 ( 1.023 1.590 0.282) 1.912 5.467 ( 6.472 -1.360 0.146) 6.615 5.572 ( -2.184 -0.151 -1.217) 2.505 5.808 ( 5.278 -1.101 -1.325) 5.552 5.842 ( 1.366 0.478 0.834) 1.671 5.960 ( 1.633 7.127 0.705) 7.345 6.057 ( 3.062 2.149 -1.107) 3.901 6.093 ( 2.891 2.810 -0.482) 4.060 6.272 ( -0.660 1.240 1.485) 2.044 6.475 ( 0.327 -0.424 -0.922) 1.067 6.560 ( 2.170 2.896 0.850) 3.717 6.669 ( 3.394 1.841 -0.873) 3.959 7.021 ( -2.973 -3.646 1.062) 4.823 7.137 ( -3.438 -1.563 0.692) 3.840 7.376 ( 8.552 2.162 -2.556) 9.184 7.518 ( 8.420 1.570 1.752) 8.742 7.579 ( -2.848 2.176 -0.267) 3.594 7.907 ( 1.030 -1.142 -6.739) 6.912 8.181 ( -9.177 -4.931 4.451) 11.329 8.334 ( -6.684 -1.084 -3.974) 7.851 8.472 ( -2.237 -0.094 2.324) 3.227 8.567 ( -1.803 -2.861 12.805) 13.244 8.781 ( -3.368 1.602 -2.309) 4.387 8.988 ( 2.381 5.290 -8.930) 10.648 9.391 ( -2.727 0.671 0.525) 2.857 9.586 ( 1.974 1.822 0.590) 2.750 9.889 ( 3.190 -0.344 -0.578) 3.260 10.029 ( 1.784 0.032 1.691) 2.458 10.236 ( 0.235 -3.338 -0.353) 3.365 10.306 ( 5.371 -3.665 -1.190) 6.611 10.422 ( -3.780 4.793 4.003) 7.300 10.571 ( 1.486 -3.370 -1.743) 4.075 10.653 ( -0.577 0.542 -2.909) 3.015 10.820 ( -4.340 5.740 0.588) 7.220 10.962 ( -1.844 0.070 2.230) 2.895 10.977 ( 1.904 0.425 -0.153) 1.957 11.316 ( -1.578 3.106 -1.443) 3.770 11.412 ( 1.293 1.958 0.521) 2.404 11.736 ( -1.081 0.907 0.436) 1.477 11.906 ( 3.313 2.881 -0.446) 4.413 12.174 ( -3.794 -4.559 -0.003) 5.931 12.365 ( 2.342 -2.769 0.128) 3.629 16.214 ( -0.034 0.319 0.969) 1.020 16.296 ( 0.816 -1.670 -1.052) 2.136 18.108 ( -3.127 -1.584 -0.313) 3.519 18.334 ( -2.129 2.721 3.583) 4.978 18.397 ( 3.982 -5.095 -2.282) 6.858 18.514 ( 1.470 4.214 -2.268) 5.007 18.974 ( -3.501 0.571 3.170) 4.757 18.993 ( -3.739 -3.061 1.481) 5.054 19.211 ( -1.700 -3.523 -3.652) 5.352 19.271 ( 1.706 1.267 -0.504) 2.184 19.643 ( 5.486 6.032 -1.011) 8.216 19.683 ( 5.682 3.605 1.936) 7.002 20.807 ( -8.976 -0.435 -0.069) 8.987 21.204 ( 3.218 -1.017 0.687) 3.444 21.640 ( 0.711 -0.959 -0.640) 1.355 21.647 ( 0.966 0.914 0.306) 1.365 21.755 ( -1.594 2.233 -0.275) 2.758 21.835 ( 0.620 -1.782 -0.604) 1.981 22.872 ( 0.209 2.095 1.003) 2.332 22.950 ( 0.482 -1.348 -0.571) 1.541 23.142 ( -1.070 -2.425 1.195) 2.907 23.254 ( 0.349 -2.675 -1.111) 2.917 ======================= Grid point 162 (72/86) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 1.885 0.000 1.079) 2.172 1.336 ( 1.238 0.000 -4.149) 4.330 1.715 ( 5.453 0.000 8.533) 10.127 1.776 ( -14.705 -0.000 1.553) 14.787 1.900 ( -6.177 -0.000 2.245) 6.573 1.936 ( 1.862 0.000 -0.257) 1.880 2.081 ( 7.774 0.000 -4.054) 8.767 2.157 ( 7.602 0.000 -10.537) 12.993 2.253 ( -0.876 -0.000 0.730) 1.140 2.259 ( 2.195 0.000 -0.326) 2.219 2.612 ( -15.567 -0.000 4.655) 16.249 2.746 ( 17.483 0.000 -7.105) 18.872 2.785 ( -4.187 -0.000 1.556) 4.467 2.816 ( -0.233 -0.000 -1.060) 1.085 2.859 ( -1.958 -0.000 6.503) 6.792 2.990 ( 1.375 0.000 -5.368) 5.541 3.116 ( -9.276 -0.000 10.435) 13.962 3.285 ( 6.296 0.000 -2.989) 6.969 3.316 ( -6.039 -0.000 -0.477) 6.058 3.382 ( 10.813 0.000 -7.715) 13.283 3.465 ( -3.110 -0.000 4.809) 5.727 3.551 ( 3.813 0.000 -3.342) 5.070 3.650 ( 3.604 0.000 5.941) 6.949 3.765 ( -10.400 -0.000 -4.601) 11.373 3.887 ( 3.939 0.000 3.082) 5.002 3.888 ( -7.245 -0.000 3.984) 8.268 4.024 ( -4.288 -0.000 1.811) 4.654 4.052 ( 4.414 0.000 -0.140) 4.417 4.123 ( 5.087 0.000 5.985) 7.854 4.281 ( -2.282 -0.000 -8.240) 8.550 4.355 ( 2.853 0.000 -2.165) 3.582 4.361 ( -0.383 -0.000 -3.382) 3.404 4.605 ( -3.620 -0.000 2.487) 4.392 4.679 ( 2.849 0.000 -4.722) 5.515 4.855 ( -0.048 -0.000 0.854) 0.855 4.861 ( -2.289 -0.000 0.080) 2.290 4.935 ( 0.484 0.000 4.151) 4.179 5.034 ( 3.435 0.000 -4.437) 5.611 5.163 ( -2.084 -0.000 10.800) 11.000 5.379 ( -0.877 -0.000 -8.339) 8.385 5.601 ( -1.639 -0.000 2.844) 3.282 5.659 ( 4.987 0.000 -2.594) 5.621 5.876 ( -6.969 -0.000 5.830) 9.086 5.994 ( 5.373 0.000 -4.638) 7.098 6.449 ( -4.023 -0.000 -1.343) 4.242 6.453 ( 6.920 0.000 -1.884) 7.172 6.649 ( -8.289 -0.000 6.499) 10.533 6.762 ( 2.082 0.000 -2.671) 3.387 6.950 ( 0.968 0.000 -3.308) 3.447 6.967 ( 5.323 0.000 -3.929) 6.616 7.171 ( 4.934 0.000 7.917) 9.329 7.333 ( -7.193 -0.000 -4.782) 8.638 7.432 ( -0.632 -0.000 4.964) 5.004 7.497 ( -1.504 -0.000 -1.611) 2.204 7.869 ( -1.870 -0.000 0.901) 2.076 7.930 ( 2.470 0.000 -3.612) 4.376 8.172 ( 2.343 0.000 8.119) 8.450 8.327 ( -1.745 -0.000 -5.734) 5.994 8.655 ( 2.713 0.000 2.683) 3.816 8.736 ( -2.318 -0.000 -4.995) 5.506 9.044 ( -2.325 -0.000 8.548) 8.859 9.203 ( 2.771 0.000 -5.740) 6.374 9.454 ( 0.274 0.000 2.315) 2.331 9.517 ( 0.458 0.000 -3.347) 3.378 9.746 ( -6.299 -0.000 6.290) 8.902 9.900 ( 6.391 0.000 -7.702) 10.008 10.197 ( -1.236 -0.000 4.414) 4.583 10.276 ( -0.849 -0.000 -3.074) 3.189 10.600 ( 1.403 0.000 3.508) 3.778 10.665 ( -0.736 -0.000 -2.200) 2.320 11.004 ( -0.630 -0.000 0.314) 0.704 11.018 ( 0.575 0.000 -0.844) 1.022 11.115 ( -4.591 -0.000 0.913) 4.681 11.136 ( 5.769 0.000 -1.014) 5.858 11.392 ( -3.077 -0.000 2.596) 4.026 11.450 ( 2.136 0.000 -2.380) 3.198 12.334 ( -2.588 -0.000 2.169) 3.377 12.388 ( 3.549 0.000 -2.542) 4.366 12.521 ( -1.083 -0.000 2.288) 2.531 12.567 ( 0.142 0.000 -1.737) 1.743 16.136 ( 2.237 0.000 1.145) 2.513 16.159 ( -2.254 -0.000 -0.855) 2.410 18.223 ( 0.405 0.000 0.719) 0.825 18.241 ( -0.499 -0.000 -0.828) 0.967 18.435 ( 1.189 0.000 0.722) 1.392 18.450 ( -1.134 -0.000 -0.544) 1.258 18.867 ( -0.563 -0.000 0.500) 0.753 18.879 ( 0.640 0.000 -0.584) 0.866 19.346 ( 1.862 0.000 3.181) 3.686 19.449 ( -2.738 -0.000 -6.550) 7.100 20.050 ( -0.495 -0.000 17.417) 17.424 20.477 ( 1.834 0.000 -22.198) 22.274 21.165 ( -3.882 -0.000 7.560) 8.498 21.326 ( 10.383 0.000 -1.460) 10.485 21.598 ( -3.729 -0.000 9.532) 10.235 21.879 ( -2.300 -0.000 -11.201) 11.435 22.022 ( -6.258 -0.000 8.877) 10.861 22.181 ( 7.152 0.000 -5.630) 9.102 22.369 ( -4.445 -0.000 0.306) 4.456 22.376 ( 2.337 0.000 -0.196) 2.345 22.615 ( 1.736 0.000 1.510) 2.301 22.641 ( -1.208 -0.000 -0.815) 1.457 ======================= Grid point 163 (73/86) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -5.248 0.044 4.525) 6.930 1.406 ( -3.917 -0.552 -0.580) 3.998 1.562 ( -1.164 1.319 0.007) 1.760 1.723 ( -13.301 1.132 -1.251) 13.408 1.933 ( 5.050 -1.102 -2.264) 5.643 1.972 ( 3.846 0.567 -2.869) 4.832 2.054 ( -1.918 -1.038 2.054) 2.996 2.271 ( -0.382 -1.737 0.288) 1.802 2.296 ( 0.460 -4.960 0.554) 5.012 2.334 ( 11.541 -3.538 -6.248) 13.592 2.540 ( -8.932 -2.638 3.750) 10.040 2.725 ( -11.357 0.157 2.265) 11.582 2.771 ( -8.179 0.523 1.107) 8.270 2.863 ( -1.153 -1.595 3.621) 4.121 2.886 ( 11.265 -1.546 -3.831) 11.999 2.988 ( -0.518 -0.977 -3.571) 3.739 3.092 ( -3.166 -1.992 8.218) 9.029 3.275 ( -0.307 0.482 -4.065) 4.105 3.287 ( -0.483 2.751 -3.563) 4.527 3.379 ( 4.434 4.665 -4.204) 7.688 3.444 ( 0.681 1.349 4.752) 4.986 3.549 ( -1.622 2.807 -2.369) 4.016 3.608 ( -4.565 1.164 0.624) 4.752 3.757 ( 7.481 -0.696 3.593) 8.328 3.805 ( -7.591 3.831 -1.376) 8.614 3.854 ( -4.451 1.696 3.664) 6.010 3.951 ( -1.614 3.560 -0.412) 3.930 4.049 ( 6.528 3.267 -0.769) 7.340 4.201 ( 0.510 0.350 5.745) 5.778 4.300 ( 5.470 -1.239 -3.109) 6.413 4.343 ( 0.858 2.807 -1.779) 3.433 4.427 ( 4.756 -5.516 -3.611) 8.130 4.590 ( 2.181 -0.135 4.057) 4.608 4.703 ( 2.577 -0.158 -6.578) 7.066 4.888 ( 1.176 -0.391 -0.643) 1.396 4.893 ( 3.382 -3.041 0.049) 4.549 4.980 ( -0.548 -3.715 3.013) 4.815 5.020 ( 2.409 -2.203 1.548) 3.613 5.233 ( -3.031 -3.850 5.898) 7.668 5.364 ( 0.926 -0.166 -6.108) 6.180 5.612 ( 0.463 -1.252 1.244) 1.825 5.694 ( 3.947 -0.398 -2.236) 4.554 5.863 ( -6.140 -3.080 4.179) 8.040 6.028 ( 1.746 -0.888 -3.412) 3.935 6.404 ( -4.724 0.404 -1.764) 5.058 6.487 ( 4.560 1.537 -2.071) 5.239 6.584 ( -8.204 0.442 5.792) 10.052 6.750 ( -1.670 0.866 -0.609) 1.977 6.904 ( 3.015 6.174 -1.730) 7.085 6.965 ( 2.777 3.594 -4.561) 6.437 7.219 ( 6.013 1.844 8.114) 10.266 7.287 ( -1.593 -0.691 -5.342) 5.617 7.368 ( -7.258 5.284 1.998) 9.198 7.493 ( 5.044 -0.367 -0.418) 5.075 7.884 ( -1.505 -2.520 1.480) 3.287 7.965 ( -0.147 -3.560 -2.934) 4.615 8.197 ( 0.184 1.358 6.986) 7.119 8.308 ( 1.180 0.191 -3.833) 4.015 8.598 ( 3.659 8.223 2.278) 9.284 8.616 ( -2.076 8.443 -6.074) 10.606 9.044 ( -3.144 -0.295 9.145) 9.674 9.239 ( 4.045 -1.406 -7.166) 8.348 9.466 ( 0.027 0.126 1.849) 1.854 9.518 ( -0.171 -0.329 -2.720) 2.745 9.719 ( -4.594 -0.714 5.333) 7.075 9.933 ( 5.592 -0.382 -6.542) 8.615 10.189 ( -0.990 0.870 5.123) 5.290 10.256 ( -0.416 0.862 -2.561) 2.734 10.622 ( 0.466 -0.644 2.105) 2.250 10.641 ( -2.257 0.117 -1.757) 2.863 10.979 ( 0.354 3.225 0.676) 3.314 10.983 ( -1.152 2.802 -0.810) 3.136 11.117 ( -4.367 -3.956 -1.012) 5.979 11.188 ( 2.217 -1.863 0.773) 2.998 11.427 ( -0.831 -4.027 1.447) 4.359 11.503 ( 2.321 -4.075 -1.444) 4.907 12.192 ( -8.478 11.985 1.214) 14.731 12.332 ( 6.214 11.940 -1.028) 13.500 12.418 ( -6.434 4.562 0.388) 7.897 12.520 ( 5.028 4.800 -0.393) 6.963 16.156 ( 1.319 -0.604 -0.159) 1.460 16.193 ( 5.515 -1.550 0.398) 5.743 18.151 ( -5.267 4.588 0.220) 6.988 18.201 ( 0.343 2.028 -0.252) 2.073 18.456 ( -8.840 -4.171 -0.097) 9.775 18.575 ( 6.292 -8.956 0.163) 10.946 18.868 ( 2.125 0.608 0.888) 2.382 18.887 ( 2.257 0.786 -0.929) 2.564 19.300 ( 1.643 6.784 4.857) 8.504 19.388 ( -0.534 2.859 -7.409) 7.959 20.069 ( -1.471 1.153 16.603) 16.708 20.395 ( -0.617 3.252 -19.215) 19.498 21.112 ( -7.165 3.744 2.920) 8.595 21.244 ( 1.747 13.238 1.047) 13.394 21.577 ( -3.946 -0.259 5.506) 6.779 21.783 ( 4.368 4.551 -7.370) 9.701 21.978 ( -5.155 1.228 6.862) 8.670 22.156 ( 3.255 5.082 -4.257) 7.385 22.499 ( 1.495 -12.935 1.363) 13.092 22.528 ( 1.055 -10.308 -0.616) 10.380 22.667 ( 0.455 -3.370 0.009) 3.401 22.702 ( 2.969 -6.031 -0.136) 6.724 ======================= Grid point 164 (74/86) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -10.305 1.707 4.613) 11.418 1.301 ( -9.787 -3.939 4.433) 11.443 1.565 ( -8.048 2.880 -6.076) 10.488 1.722 ( 3.081 -8.383 -4.933) 10.203 1.936 ( 2.069 2.665 -4.201) 5.388 1.972 ( -0.508 -1.600 -3.059) 3.489 2.102 ( -1.612 -3.248 3.034) 4.728 2.265 ( -5.150 2.700 2.086) 6.177 2.331 ( -2.964 -0.112 8.088) 8.615 2.443 ( 4.262 -2.171 -3.343) 5.836 2.587 ( -4.456 -3.517 4.445) 7.210 2.681 ( 2.368 -4.218 -4.495) 6.604 2.740 ( -9.070 -3.534 2.540) 10.061 2.891 ( -2.912 -2.620 3.564) 5.296 2.972 ( -5.851 -0.149 -2.037) 6.197 2.975 ( 4.334 -1.448 -2.401) 5.162 3.151 ( -1.323 -0.106 1.371) 1.908 3.199 ( -3.801 -0.164 -2.174) 4.382 3.277 ( 1.987 -1.116 -3.921) 4.535 3.324 ( 2.190 0.859 -1.781) 2.950 3.453 ( 2.984 1.682 1.907) 3.920 3.485 ( -4.610 1.945 2.343) 5.525 3.527 ( 2.268 4.098 -1.040) 4.798 3.701 ( -4.298 2.040 1.259) 4.922 3.754 ( 5.002 2.139 0.653) 5.479 3.832 ( 1.183 6.098 -1.980) 6.520 3.938 ( 3.154 -4.939 0.261) 5.866 4.041 ( 3.015 4.007 -0.698) 5.063 4.117 ( 0.470 4.797 3.391) 5.894 4.283 ( -1.548 2.271 1.530) 3.146 4.388 ( 8.048 -1.707 -1.468) 8.357 4.560 ( 4.481 -3.959 -4.353) 7.396 4.646 ( 5.543 -0.474 5.508) 7.829 4.736 ( 2.797 -3.236 -5.661) 7.096 4.864 ( 0.141 1.231 2.112) 2.449 4.975 ( 5.230 -1.721 -1.402) 5.682 5.102 ( 0.801 -6.547 3.393) 7.417 5.165 ( 1.971 -6.606 -0.656) 6.925 5.232 ( -7.034 -2.622 -0.589) 7.530 5.382 ( 0.957 -0.364 2.180) 2.409 5.658 ( 2.578 -2.094 -1.871) 3.812 5.729 ( 2.962 -0.587 0.102) 3.021 5.904 ( -3.880 -4.364 0.755) 5.888 6.016 ( -0.953 1.821 -1.232) 2.396 6.352 ( -5.450 0.995 -2.402) 6.038 6.431 ( -3.376 3.015 2.061) 4.973 6.573 ( -0.532 -1.204 -0.115) 1.321 6.678 ( -4.672 7.658 4.443) 10.011 6.774 ( 4.873 7.040 -0.710) 8.591 6.860 ( 3.227 8.449 -5.576) 10.625 7.172 ( -4.561 7.049 3.572) 9.124 7.227 ( -1.940 2.555 1.145) 3.407 7.306 ( 3.317 -1.375 -3.625) 5.102 7.566 ( 8.699 -0.910 -0.997) 8.803 7.929 ( -2.023 -2.779 2.311) 4.142 8.054 ( -2.872 -6.410 -2.071) 7.322 8.156 ( -1.424 2.945 5.835) 6.689 8.272 ( 2.738 7.649 -1.895) 8.343 8.429 ( -0.801 5.394 -3.590) 6.528 8.465 ( 3.806 7.355 -0.459) 8.294 9.022 ( -7.972 0.854 8.566) 11.733 9.256 ( 3.168 1.339 -8.269) 8.956 9.466 ( 0.076 -0.593 0.765) 0.971 9.486 ( -4.179 1.551 -0.318) 4.469 9.742 ( 0.805 -2.402 2.607) 3.635 9.981 ( 5.267 -1.329 -4.227) 6.883 10.181 ( 0.526 0.604 5.000) 5.063 10.227 ( 0.565 1.590 -1.493) 2.253 10.609 ( -4.602 -0.475 -1.813) 4.969 10.660 ( 0.947 -1.793 0.808) 2.183 10.875 ( -0.193 6.712 2.050) 7.021 10.925 ( 0.479 3.343 -2.594) 4.259 11.157 ( -3.825 -2.626 -1.096) 4.767 11.223 ( -2.335 -0.913 2.276) 3.386 11.515 ( 0.149 -4.937 -0.101) 4.940 11.618 ( 1.661 -6.100 -0.450) 6.338 11.810 ( -11.042 17.471 0.715) 20.680 11.991 ( -4.544 19.433 -0.116) 19.958 12.371 ( 3.756 2.272 0.103) 4.391 12.452 ( 5.008 6.613 -0.492) 8.309 16.188 ( 2.514 -1.176 -1.334) 3.079 16.264 ( 6.653 0.032 1.483) 6.816 18.029 ( -6.942 2.083 -0.021) 7.248 18.187 ( 1.743 0.158 -0.071) 1.751 18.453 ( -11.908 -4.208 0.003) 12.630 18.797 ( 8.531 -3.682 0.137) 9.292 18.862 ( 1.879 1.078 0.606) 2.250 18.888 ( 3.472 -0.496 -0.736) 3.583 19.162 ( -1.465 7.368 2.024) 7.780 19.338 ( 5.219 2.553 -3.514) 6.790 20.048 ( -2.735 3.442 14.059) 14.731 20.282 ( -1.608 4.167 -16.101) 16.709 20.800 ( -17.885 12.643 0.296) 21.905 21.111 ( 3.043 3.913 4.236) 6.520 21.595 ( -1.940 -2.671 0.685) 3.371 21.747 ( 5.157 2.399 -3.268) 6.559 21.912 ( -4.250 3.252 2.498) 5.906 22.062 ( 2.144 6.017 -1.293) 6.517 22.699 ( -2.372 -7.549 1.574) 8.068 22.752 ( 1.159 -6.969 -1.437) 7.210 22.794 ( 7.216 -10.004 0.647) 12.352 22.877 ( 4.840 -8.594 -0.317) 9.868 ======================= Grid point 165 (75/86) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -8.358 -4.923 -5.735) 11.268 1.356 ( -7.251 -4.282 1.935) 8.640 1.497 ( -3.837 -4.103 -1.828) 5.907 1.836 ( 2.725 -0.665 -1.777) 3.320 1.839 ( -10.710 1.976 4.044) 11.617 1.965 ( -10.670 0.970 1.467) 10.814 2.145 ( -1.920 1.195 4.101) 4.683 2.203 ( 3.001 -5.561 -2.122) 6.666 2.374 ( 7.836 -1.798 -2.853) 8.531 2.487 ( 1.272 0.939 2.294) 2.786 2.578 ( -7.903 -1.663 3.970) 8.999 2.734 ( -5.808 -1.060 -1.016) 5.990 2.806 ( 6.929 -1.395 -3.371) 7.831 2.894 ( -6.483 1.424 -1.720) 6.856 2.973 ( -1.053 -7.727 1.809) 8.005 2.995 ( 3.776 1.108 -1.453) 4.195 3.140 ( -5.154 -2.569 2.150) 6.147 3.172 ( -8.759 -2.037 2.023) 9.217 3.261 ( -0.395 3.238 -5.018) 5.986 3.376 ( 3.552 1.859 -0.868) 4.102 3.427 ( 4.462 1.417 -0.302) 4.691 3.460 ( 1.967 -2.182 1.755) 3.422 3.551 ( 2.743 -1.267 -2.165) 3.717 3.627 ( -6.701 -0.277 2.222) 7.065 3.733 ( 7.363 5.050 -1.021) 8.986 3.829 ( 2.769 -4.042 -0.605) 4.937 3.941 ( 0.033 3.739 1.828) 4.162 4.041 ( 3.687 -1.911 -1.156) 4.311 4.095 ( 4.947 2.913 3.521) 6.735 4.277 ( 2.108 -1.683 -0.113) 2.700 4.463 ( 5.771 -0.445 -0.555) 5.814 4.627 ( 3.758 -1.511 -4.169) 5.813 4.706 ( 1.540 -1.314 3.050) 3.661 4.830 ( 7.274 -3.355 -4.009) 8.958 4.877 ( 0.624 -2.099 1.939) 2.925 5.038 ( 1.032 -0.993 0.330) 1.469 5.130 ( -8.724 -0.966 -1.856) 8.971 5.234 ( -0.889 -4.518 1.224) 4.765 5.340 ( -0.250 -3.998 2.214) 4.577 5.391 ( 1.663 -0.967 2.471) 3.131 5.681 ( 0.217 1.847 -0.544) 1.937 5.767 ( 3.314 -0.922 -1.596) 3.792 5.938 ( -2.398 -1.066 0.967) 2.797 5.997 ( 0.182 -2.282 -1.654) 2.824 6.244 ( -6.301 5.373 -1.469) 8.410 6.339 ( -3.927 9.582 4.339) 11.227 6.452 ( -1.181 5.808 2.634) 6.486 6.585 ( -1.377 -0.828 -2.187) 2.714 6.670 ( 2.975 11.350 -6.173) 13.258 6.744 ( 0.869 1.675 1.839) 2.635 7.042 ( -1.862 3.981 2.289) 4.955 7.165 ( 0.123 3.043 -0.283) 3.058 7.357 ( 3.658 -1.490 -1.971) 4.414 7.634 ( 8.891 1.380 -0.154) 8.998 7.922 ( -2.774 5.823 -2.038) 6.764 8.000 ( -9.188 3.957 2.557) 10.326 8.067 ( 3.287 6.674 0.017) 7.440 8.231 ( 1.113 -4.282 -2.451) 5.057 8.406 ( 1.704 -1.621 3.288) 4.043 8.428 ( 1.328 -0.633 0.093) 1.474 8.918 ( -11.070 3.324 5.739) 12.904 9.192 ( -0.220 4.578 -7.085) 8.438 9.416 ( -5.195 1.196 0.334) 5.341 9.507 ( 0.813 -3.121 -0.342) 3.244 9.820 ( 3.177 -3.139 0.760) 4.530 10.029 ( 3.981 -0.275 -1.816) 4.384 10.202 ( 2.290 0.427 4.278) 4.871 10.218 ( 2.957 -0.759 -0.807) 3.157 10.556 ( -4.847 1.405 -2.344) 5.564 10.704 ( 0.084 -1.243 -0.796) 1.478 10.738 ( -1.129 8.266 3.804) 9.169 10.870 ( 3.367 2.209 -3.276) 5.191 11.094 ( -5.372 6.463 4.771) 9.664 11.178 ( -6.156 2.609 -3.425) 7.512 11.460 ( -7.431 6.772 0.271) 10.058 11.606 ( 0.254 6.746 -0.049) 6.751 11.648 ( -6.479 1.499 0.218) 6.654 11.747 ( 0.385 -6.495 -0.120) 6.507 12.342 ( 4.380 7.958 0.544) 9.100 12.371 ( 5.514 2.348 -0.679) 6.032 16.223 ( 2.659 -0.566 -2.401) 3.627 16.292 ( 3.713 1.649 2.469) 4.754 17.986 ( -4.005 -2.337 -0.353) 4.650 18.224 ( 2.774 -2.208 0.183) 3.550 18.432 ( -9.401 -2.329 0.197) 9.688 18.733 ( 3.469 8.532 0.024) 9.210 18.880 ( 1.191 -0.580 -1.051) 1.691 19.017 ( 1.879 -3.823 1.731) 4.598 19.060 ( 1.213 1.194 -0.446) 1.759 19.340 ( 5.713 2.291 -0.329) 6.164 19.944 ( -2.737 7.450 8.346) 11.517 20.070 ( -4.171 12.538 -10.527) 16.895 20.589 ( -14.137 -4.944 1.341) 15.036 21.121 ( 3.969 -0.950 1.765) 4.447 21.624 ( -1.086 -1.431 -1.114) 2.114 21.746 ( 3.828 1.888 0.340) 4.282 21.817 ( -3.891 2.588 0.572) 4.708 21.952 ( 1.333 6.715 -1.353) 6.979 22.807 ( -2.818 -5.694 3.846) 7.426 22.856 ( 1.835 -3.401 -3.302) 5.083 23.003 ( 5.683 -5.792 0.185) 8.117 23.076 ( 5.487 -7.065 -0.146) 8.947 ======================= Grid point 166 (76/86) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -5.319 -7.684 -9.376) 13.238 1.353 ( -1.945 -0.385 -0.329) 2.010 1.534 ( -2.018 2.865 0.732) 3.579 1.750 ( -11.159 -4.096 10.873) 16.110 1.860 ( 0.041 0.645 3.138) 3.204 1.893 ( -2.252 -3.935 -4.446) 6.350 2.117 ( -4.823 1.979 0.582) 5.245 2.325 ( 2.825 -2.254 -1.455) 3.896 2.404 ( 3.857 2.123 0.277) 4.411 2.536 ( 4.576 -3.870 -0.792) 6.045 2.588 ( 0.658 -1.484 -0.151) 1.631 2.709 ( -5.595 -4.173 -1.160) 7.075 2.786 ( -2.156 3.039 -2.364) 4.413 2.872 ( 1.155 -0.861 0.463) 1.513 2.997 ( 1.839 3.312 1.037) 3.928 3.071 ( 1.177 4.532 -3.477) 5.832 3.093 ( -5.442 -0.903 5.886) 8.067 3.188 ( -8.620 -5.209 2.405) 10.355 3.247 ( 0.861 -6.074 -1.162) 6.244 3.328 ( -1.314 3.569 1.386) 4.048 3.406 ( 7.962 1.515 -3.399) 8.789 3.466 ( -1.382 5.974 -3.211) 6.921 3.603 ( 0.484 -2.572 2.023) 3.308 3.657 ( 0.951 -3.894 0.631) 4.058 3.762 ( 3.751 -2.214 -0.770) 4.423 3.867 ( -2.694 0.369 0.234) 2.729 3.929 ( 4.824 2.304 -1.152) 5.469 4.106 ( 5.202 -4.466 2.414) 7.269 4.124 ( 1.899 -1.841 0.108) 2.648 4.357 ( 4.443 -3.478 0.151) 5.644 4.492 ( 3.010 0.926 -0.268) 3.161 4.675 ( 2.736 -1.734 -4.407) 5.470 4.725 ( -0.769 -0.076 1.778) 1.939 4.920 ( -6.523 1.853 -1.608) 6.969 4.940 ( 8.942 -0.447 0.350) 8.960 5.011 ( 1.181 -2.564 1.687) 3.288 5.111 ( -7.066 -3.777 -1.465) 8.145 5.285 ( 0.080 -1.430 -0.318) 1.467 5.347 ( -4.249 0.107 5.200) 6.716 5.475 ( 4.214 -2.245 0.421) 4.793 5.605 ( -0.987 4.042 -0.845) 4.246 5.805 ( 2.835 -1.239 -0.685) 3.169 5.912 ( -2.622 5.040 1.302) 5.828 6.039 ( -3.440 -1.477 -0.375) 3.762 6.084 ( 0.788 1.146 -2.457) 2.823 6.141 ( -4.213 6.464 2.246) 8.036 6.401 ( 1.742 7.200 0.166) 7.410 6.480 ( -1.121 3.718 -2.680) 4.718 6.584 ( -0.198 -0.617 -1.067) 1.249 6.720 ( -0.353 1.763 1.242) 2.185 7.001 ( 2.841 1.509 1.232) 3.445 7.121 ( -0.364 1.650 0.387) 1.734 7.402 ( -0.777 -1.826 -0.224) 1.997 7.652 ( 7.963 3.396 2.484) 9.006 7.705 ( 1.645 10.633 -7.534) 13.135 7.863 ( -9.296 1.363 0.108) 9.396 8.085 ( 2.102 -1.972 2.917) 4.101 8.269 ( -1.251 -0.985 -4.248) 4.536 8.447 ( -0.459 -1.271 0.510) 1.444 8.519 ( 1.641 -4.406 9.984) 11.036 8.785 ( -7.467 2.704 1.705) 8.123 9.071 ( -1.144 5.043 -8.080) 9.593 9.376 ( -2.695 -0.196 0.207) 2.710 9.576 ( 0.279 -3.028 -0.299) 3.056 9.887 ( 1.052 -1.692 0.378) 2.028 10.053 ( 2.248 0.231 0.123) 2.263 10.218 ( 2.297 0.174 1.812) 2.931 10.291 ( 6.318 -2.734 -1.239) 6.995 10.488 ( -5.925 2.997 1.909) 6.909 10.571 ( -0.863 5.457 1.808) 5.814 10.683 ( 0.999 2.154 -3.236) 4.014 10.882 ( -1.018 2.772 -0.658) 3.025 10.942 ( -1.868 1.818 -0.085) 2.608 11.037 ( -4.488 4.594 0.861) 6.480 11.352 ( -3.523 2.775 -0.494) 4.512 11.446 ( -2.824 2.589 0.560) 3.872 11.705 ( -0.670 -3.069 -0.091) 3.143 11.867 ( -1.216 -6.233 -0.049) 6.351 12.215 ( 2.840 7.688 -0.337) 8.203 12.380 ( 4.300 1.216 0.361) 4.483 16.233 ( 1.713 0.890 -1.449) 2.414 16.289 ( 0.850 0.555 1.406) 1.734 18.036 ( -0.632 -4.007 -0.514) 4.089 18.315 ( 3.097 -4.533 1.305) 5.643 18.385 ( -4.675 1.508 -0.203) 4.916 18.602 ( 0.541 6.065 -1.340) 6.235 18.910 ( 0.526 -1.984 -0.894) 2.239 19.012 ( 0.352 1.361 4.187) 4.417 19.132 ( 0.359 -3.309 -2.093) 3.932 19.316 ( 1.060 2.848 -0.196) 3.045 19.798 ( -2.147 8.928 -3.374) 9.783 19.805 ( -1.584 6.328 2.782) 7.092 20.663 ( -5.886 -7.961 0.179) 9.902 21.191 ( 2.604 -2.458 1.019) 3.723 21.633 ( 0.250 -0.497 -0.993) 1.139 21.695 ( -0.114 3.609 -0.267) 3.621 21.798 ( -1.549 0.152 3.408) 3.747 21.836 ( 1.433 4.480 -3.561) 5.900 22.885 ( -1.306 -2.926 1.615) 3.588 22.900 ( 0.203 -1.641 -0.537) 1.738 23.111 ( 3.484 -2.079 -0.260) 4.066 23.209 ( 3.206 -3.305 -0.298) 4.614 ======================= Grid point 173 (77/86) ======================= q-point: (-0.40 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -10.814 -0.000 3.280) 11.301 1.325 ( -0.482 -0.000 -6.369) 6.388 1.560 ( -9.492 -0.000 -5.059) 10.756 1.572 ( -21.271 -0.000 9.032) 23.110 1.933 ( -1.189 -0.000 -0.735) 1.397 1.979 ( 6.078 0.000 5.012) 7.878 2.159 ( 2.752 0.000 -1.725) 3.248 2.197 ( 4.764 0.000 -2.875) 5.564 2.253 ( -3.563 -0.000 2.434) 4.315 2.360 ( 6.446 0.000 -5.017) 8.169 2.465 ( 0.644 0.000 -6.630) 6.662 2.616 ( -16.217 -0.000 2.941) 16.481 2.736 ( -6.640 -0.000 -0.121) 6.641 2.809 ( -8.449 -0.000 6.638) 10.745 2.939 ( -5.724 -0.000 -2.513) 6.251 2.951 ( 5.972 0.000 -1.674) 6.202 3.077 ( 2.687 0.000 6.520) 7.052 3.270 ( 0.874 0.000 -6.969) 7.024 3.312 ( -3.696 -0.000 1.221) 3.892 3.448 ( 2.667 0.000 -3.980) 4.791 3.460 ( -2.187 -0.000 1.775) 2.817 3.539 ( -7.446 -0.000 2.236) 7.775 3.610 ( -7.458 -0.000 3.949) 8.439 3.706 ( 15.073 0.000 -3.301) 15.430 3.875 ( 2.490 0.000 3.123) 3.994 3.911 ( -2.111 -0.000 2.283) 3.110 3.916 ( -7.741 -0.000 -2.088) 8.018 4.154 ( 8.250 0.000 2.136) 8.522 4.254 ( 3.493 0.000 5.750) 6.728 4.314 ( 8.261 0.000 -8.621) 11.940 4.375 ( 2.573 0.000 1.001) 2.761 4.432 ( 7.275 0.000 -2.113) 7.575 4.593 ( 1.832 0.000 0.789) 1.995 4.747 ( 6.808 0.000 -5.047) 8.475 4.842 ( -0.221 -0.000 0.410) 0.466 4.891 ( 4.962 0.000 2.913) 5.753 4.979 ( 3.286 0.000 0.552) 3.332 5.037 ( -1.044 -0.000 -2.902) 3.084 5.199 ( 0.320 0.000 11.687) 11.691 5.362 ( 3.597 0.000 -8.626) 9.346 5.607 ( 1.427 0.000 -0.236) 1.446 5.697 ( -2.020 -0.000 -0.074) 2.022 5.803 ( -1.664 -0.000 1.896) 2.523 6.009 ( -1.408 -0.000 -1.816) 2.298 6.360 ( -5.521 -0.000 -2.056) 5.892 6.509 ( -9.239 -0.000 5.404) 10.703 6.561 ( 3.954 0.000 -1.317) 4.167 6.722 ( -5.417 -0.000 -0.589) 5.449 6.981 ( 4.689 0.000 -5.996) 7.612 7.001 ( 0.296 0.000 -3.286) 3.300 7.251 ( 0.741 0.000 -5.468) 5.518 7.308 ( 3.568 0.000 9.309) 9.969 7.448 ( 1.678 0.000 7.283) 7.474 7.466 ( -1.538 -0.000 -2.542) 2.971 7.862 ( 1.703 0.000 0.393) 1.748 7.905 ( -3.669 -0.000 -2.153) 4.254 8.266 ( 4.578 0.000 7.283) 8.602 8.299 ( 1.682 0.000 -5.452) 5.706 8.669 ( -3.431 -0.000 -5.660) 6.619 8.706 ( 1.623 0.000 2.396) 2.894 9.046 ( -2.335 -0.000 6.440) 6.850 9.243 ( 4.923 0.000 -5.583) 7.444 9.490 ( -2.595 -0.000 -2.558) 3.644 9.491 ( 3.277 0.000 2.997) 4.440 9.701 ( -0.818 -0.000 3.576) 3.669 9.951 ( 3.850 0.000 -6.307) 7.390 10.207 ( 0.033 0.000 6.383) 6.383 10.246 ( -1.583 -0.000 -2.346) 2.830 10.614 ( -4.022 -0.000 -2.349) 4.657 10.630 ( 0.810 0.000 1.692) 1.876 10.986 ( -2.239 -0.000 0.838) 2.390 11.014 ( -2.164 -0.000 -2.155) 3.054 11.041 ( -2.790 -0.000 -0.177) 2.796 11.173 ( -1.372 -0.000 2.018) 2.440 11.403 ( 3.625 0.000 -0.038) 3.625 11.474 ( 1.720 0.000 -0.841) 1.915 12.256 ( -8.490 -0.000 1.387) 8.603 12.387 ( -2.192 -0.000 -1.836) 2.860 12.544 ( 2.447 0.000 1.354) 2.796 12.571 ( 1.521 0.000 -0.776) 1.708 16.176 ( 4.773 0.000 -2.492) 5.384 16.239 ( 10.025 0.000 2.837) 10.419 18.181 ( -6.150 -0.000 0.675) 6.187 18.185 ( -5.578 -0.000 -0.653) 5.616 18.409 ( -3.475 -0.000 -0.752) 3.555 18.442 ( -0.866 -0.000 0.887) 1.240 18.898 ( 3.999 0.000 0.073) 3.999 18.925 ( 5.209 0.000 -0.272) 5.216 19.392 ( -0.932 -0.000 -5.030) 5.116 19.408 ( 3.460 0.000 4.546) 5.713 20.098 ( -3.072 -0.000 15.980) 16.272 20.372 ( -2.850 -0.000 -20.952) 21.145 21.077 ( -10.985 -0.000 4.594) 11.907 21.407 ( 4.134 0.000 -13.991) 14.589 21.626 ( -1.061 -0.000 21.397) 21.424 21.796 ( -1.767 -0.000 -9.638) 9.799 21.962 ( -5.870 -0.000 6.903) 9.061 22.246 ( 2.707 0.000 -3.315) 4.279 22.349 ( 3.025 0.000 -1.867) 3.555 22.428 ( 3.410 0.000 1.774) 3.844 22.635 ( 1.137 0.000 -1.423) 1.821 22.670 ( 4.387 0.000 1.078) 4.517 ======================= Grid point 174 (78/86) ======================= q-point: (-0.30 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -14.025 -0.398 5.441) 15.048 1.244 ( -11.762 4.508 -2.273) 12.800 1.436 ( -21.802 -1.647 4.231) 22.269 1.557 ( -0.949 -7.793 -7.659) 10.967 1.905 ( -3.902 0.254 -3.576) 5.299 2.043 ( -3.422 -2.278 4.104) 5.809 2.100 ( 7.531 4.963 -1.235) 9.103 2.241 ( -7.120 -3.411 1.843) 8.107 2.274 ( 0.966 -0.036 0.227) 0.993 2.397 ( -6.800 -2.520 0.155) 7.253 2.502 ( -5.503 -2.569 -1.637) 6.289 2.565 ( 1.452 -6.816 -4.675) 8.391 2.635 ( -6.292 1.424 2.631) 6.967 2.835 ( -2.811 -4.047 2.215) 5.403 2.880 ( -9.800 -0.386 0.266) 9.811 2.968 ( 0.901 -0.303 1.446) 1.730 3.151 ( 1.376 -2.271 -0.904) 2.805 3.189 ( -4.792 4.213 0.119) 6.382 3.270 ( -1.015 0.851 1.107) 1.726 3.429 ( 6.755 2.358 -4.546) 8.477 3.459 ( 1.059 -0.020 -1.743) 2.040 3.513 ( 2.590 1.507 3.271) 4.436 3.598 ( -6.935 1.429 -0.637) 7.110 3.773 ( 4.033 0.112 2.998) 5.027 3.777 ( -0.674 5.105 0.104) 5.150 3.869 ( 6.541 2.229 -0.902) 6.969 3.953 ( 1.078 -0.391 -0.200) 1.164 4.183 ( 7.559 4.156 -1.597) 8.773 4.236 ( 1.915 4.483 7.449) 8.903 4.338 ( -0.655 2.965 0.909) 3.169 4.393 ( 7.771 -2.313 -4.450) 9.249 4.524 ( 8.210 -2.640 -2.890) 9.096 4.673 ( 5.600 -3.447 0.667) 6.610 4.746 ( 5.211 1.439 -3.480) 6.430 4.880 ( -2.191 -1.366 0.940) 2.748 4.974 ( 3.319 -0.062 -0.114) 3.322 5.021 ( 5.855 -4.905 2.436) 8.017 5.088 ( 5.152 -5.365 -0.614) 7.464 5.186 ( -1.881 3.084 4.396) 5.690 5.386 ( 1.603 -0.386 -2.415) 2.924 5.636 ( 3.225 -1.860 -2.363) 4.410 5.702 ( -4.171 -3.148 1.623) 5.472 5.820 ( 0.814 -1.274 -0.548) 1.608 6.005 ( -2.797 -1.064 -0.467) 3.029 6.315 ( -4.506 0.146 -2.388) 5.102 6.427 ( -9.646 0.916 4.899) 10.857 6.568 ( 0.722 1.105 -2.015) 2.408 6.685 ( -5.982 -0.564 0.757) 6.056 6.931 ( 1.391 4.935 -2.692) 5.791 6.996 ( 4.468 2.812 -5.744) 7.801 7.237 ( -9.947 7.005 4.554) 12.990 7.268 ( 0.913 -0.520 -3.876) 4.016 7.362 ( 6.143 4.635 3.306) 8.375 7.586 ( 6.689 -3.818 3.075) 8.293 7.901 ( 0.295 -1.732 0.887) 1.968 7.918 ( 0.184 -4.098 -1.883) 4.514 8.213 ( 0.267 4.632 1.646) 4.923 8.363 ( 4.614 -0.637 2.208) 5.154 8.548 ( -3.074 7.829 -7.470) 11.250 8.653 ( 1.739 6.451 1.259) 6.799 9.002 ( -6.777 2.363 6.917) 9.967 9.274 ( 2.118 -0.417 -5.982) 6.360 9.442 ( -2.597 1.373 -2.034) 3.573 9.525 ( 2.672 1.392 3.323) 4.485 9.731 ( 4.241 -1.249 1.715) 4.742 9.977 ( 3.263 -1.426 -4.898) 6.056 10.215 ( 0.877 0.692 5.742) 5.850 10.238 ( -0.399 -0.204 -0.548) 0.708 10.560 ( -5.382 0.398 -1.488) 5.598 10.648 ( 1.107 -0.610 -0.598) 1.398 10.946 ( -2.987 1.116 -0.287) 3.202 10.993 ( -0.256 4.233 1.777) 4.598 11.037 ( -4.040 -4.812 -3.578) 7.230 11.181 ( -3.275 -1.733 3.308) 4.967 11.457 ( 3.822 -2.274 -1.224) 4.612 11.528 ( 0.890 -3.998 -0.037) 4.096 12.036 ( -11.328 13.672 0.824) 17.774 12.265 ( -10.848 13.078 0.019) 16.991 12.454 ( 7.282 3.792 -0.719) 8.241 12.592 ( 4.198 3.124 0.044) 5.233 16.210 ( 6.096 0.351 -2.775) 6.707 16.344 ( 12.209 0.232 3.082) 12.594 18.040 ( -8.352 5.244 0.048) 9.862 18.168 ( -4.233 -1.473 -0.068) 4.483 18.305 ( -10.201 -0.269 0.014) 10.205 18.656 ( 4.239 -13.096 0.281) 13.768 18.930 ( 5.276 0.689 -0.342) 5.332 18.958 ( 6.672 1.701 0.096) 6.886 19.303 ( -0.242 7.299 -2.766) 7.809 19.424 ( 4.186 2.010 3.480) 5.803 20.091 ( -4.455 1.137 13.801) 14.547 20.267 ( -4.880 2.245 -18.073) 18.855 20.911 ( -17.109 9.664 -2.190) 19.771 21.256 ( -1.932 11.987 1.165) 12.198 21.538 ( -3.247 0.004 4.531) 5.574 21.835 ( 3.549 2.365 -4.055) 5.885 21.932 ( -2.404 -0.072 4.410) 5.024 22.181 ( 1.313 5.343 -1.033) 5.598 22.544 ( 2.233 -8.653 -1.161) 9.011 22.576 ( 5.570 -12.970 3.175) 14.468 22.692 ( 3.993 -5.215 -2.219) 6.933 22.774 ( 5.529 -6.098 0.641) 8.257 ======================= Grid point 175 (79/86) ======================= q-point: (-0.20 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -15.604 0.571 -2.263) 15.778 1.166 ( -9.725 -5.948 2.629) 11.699 1.338 ( -16.381 -4.887 1.080) 17.129 1.696 ( -4.827 -8.228 -1.581) 9.670 1.850 ( -8.747 -1.277 -4.448) 9.896 1.963 ( -5.406 8.622 1.468) 10.282 2.113 ( 2.057 -4.583 0.782) 5.084 2.217 ( -2.585 3.398 -0.051) 4.270 2.310 ( -7.124 -6.758 2.364) 10.100 2.384 ( -5.627 -4.811 -0.644) 7.431 2.525 ( -5.723 -2.685 2.369) 6.751 2.650 ( -0.402 -4.228 0.637) 4.294 2.740 ( 0.103 -7.759 -1.998) 8.013 2.802 ( -6.423 -1.419 -2.635) 7.086 2.895 ( 0.331 -1.594 1.863) 2.474 3.004 ( 0.383 -2.130 3.133) 3.808 3.049 ( -6.781 1.838 -3.360) 7.788 3.160 ( -1.586 2.220 0.949) 2.889 3.328 ( 5.037 -3.267 -0.240) 6.008 3.395 ( 4.042 4.955 -4.294) 7.702 3.477 ( 3.956 0.788 0.616) 4.081 3.510 ( 2.918 0.933 1.964) 3.639 3.542 ( 1.265 -0.733 -1.323) 1.972 3.640 ( -3.366 6.913 -1.000) 7.753 3.789 ( 0.076 1.118 3.560) 3.732 3.900 ( 5.666 2.676 1.034) 6.350 3.975 ( 6.802 -0.432 -0.834) 6.866 4.111 ( 4.521 4.824 0.134) 6.613 4.234 ( 5.702 3.879 4.829) 8.419 4.295 ( 4.161 0.329 -2.001) 4.628 4.476 ( 5.315 -1.399 -3.561) 6.549 4.596 ( 2.215 -1.414 -2.715) 3.778 4.759 ( 3.259 1.350 -0.561) 3.572 4.781 ( 6.656 -2.658 -0.460) 7.182 4.903 ( 3.478 -1.666 1.449) 4.120 5.019 ( 0.761 -2.352 1.885) 3.109 5.078 ( -5.055 1.948 -1.054) 5.518 5.170 ( 4.489 -2.371 3.022) 5.908 5.252 ( 2.567 -5.629 -0.732) 6.230 5.390 ( 0.954 -0.798 0.777) 1.466 5.697 ( 2.423 -1.094 -1.674) 3.141 5.742 ( -1.798 -3.466 0.272) 3.914 5.857 ( -0.925 -2.794 -1.012) 3.112 5.977 ( -3.889 1.101 0.746) 4.110 6.255 ( -5.338 2.002 -1.468) 5.887 6.380 ( -3.665 -0.643 1.873) 4.165 6.538 ( -4.737 0.400 0.116) 4.755 6.603 ( -6.457 5.591 1.268) 8.635 6.820 ( -1.994 7.346 3.560) 8.403 6.879 ( 3.196 9.299 -8.176) 12.788 7.086 ( -2.175 1.891 -0.764) 2.982 7.229 ( -2.469 2.574 -0.055) 3.567 7.369 ( 5.873 1.118 -0.223) 5.982 7.698 ( 7.239 -1.104 1.956) 7.580 7.935 ( -2.021 -1.500 1.233) 2.802 7.972 ( -1.247 0.668 -0.712) 1.584 8.181 ( 0.719 -1.839 2.670) 3.321 8.300 ( 1.979 12.505 -4.782) 13.533 8.408 ( 1.490 0.260 -0.590) 1.623 8.538 ( 4.330 6.999 0.489) 8.245 8.885 ( -13.363 2.814 6.994) 15.343 9.239 ( -3.504 2.309 -4.021) 5.811 9.392 ( -2.104 1.394 -4.069) 4.789 9.508 ( 1.546 1.717 2.588) 3.470 9.806 ( 5.635 -1.678 0.878) 5.945 10.032 ( 3.219 -1.920 -2.685) 4.611 10.227 ( 1.358 -0.261 -1.273) 1.879 10.245 ( 3.180 0.519 6.631) 7.373 10.522 ( -5.258 -0.558 -1.345) 5.456 10.666 ( 0.359 -1.416 -2.343) 2.760 10.882 ( -2.801 6.682 2.598) 7.697 10.912 ( 1.061 1.235 -0.829) 1.827 11.081 ( -4.433 -3.283 -3.806) 6.702 11.178 ( -3.931 0.909 3.828) 5.562 11.512 ( -5.330 1.246 -0.804) 5.533 11.576 ( -4.456 0.471 -0.037) 4.481 11.699 ( -1.328 5.569 0.763) 5.776 11.849 ( -11.997 17.151 -0.030) 20.930 12.463 ( 6.947 2.308 -0.376) 7.330 12.529 ( 4.652 6.967 -0.005) 8.378 16.244 ( 5.346 0.298 -3.159) 6.217 16.393 ( 7.505 3.894 3.365) 9.100 17.926 ( -5.314 -0.013 -0.240) 5.319 18.184 ( -1.969 -2.844 0.030) 3.460 18.270 ( -10.896 -4.790 0.026) 11.902 18.878 ( 3.624 -3.287 0.763) 4.952 18.930 ( 5.425 4.708 -0.240) 7.187 18.987 ( 8.164 -0.681 0.622) 8.216 19.137 ( -0.489 7.260 -3.405) 8.034 19.437 ( 5.704 2.068 4.540) 7.578 20.031 ( -6.328 3.799 7.784) 10.727 20.164 ( -4.042 2.262 -14.708) 15.420 20.484 ( -21.602 10.537 1.236) 24.067 21.131 ( -2.797 0.936 3.954) 4.933 21.567 ( -1.483 -3.039 -0.463) 3.413 21.792 ( -0.968 1.366 -0.242) 1.692 21.885 ( 2.549 5.338 -0.658) 5.952 22.086 ( 1.314 6.009 -0.142) 6.152 22.678 ( -1.995 -6.349 4.267) 7.906 22.781 ( 3.787 -5.560 -4.811) 8.271 22.923 ( 7.769 -8.645 0.390) 11.629 22.982 ( 9.263 -9.166 0.768) 13.054 ======================= Grid point 176 (80/86) ======================= q-point: (-0.10 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -9.872 -9.187 -8.661) 16.027 1.236 ( -8.276 -7.139 0.923) 10.968 1.419 ( -5.440 -12.553 0.055) 13.681 1.676 ( -12.544 6.036 11.367) 17.972 1.811 ( -7.912 -2.847 -4.545) 9.558 1.844 ( -1.404 -1.800 0.641) 2.371 2.104 ( -4.648 3.690 -1.718) 6.178 2.259 ( 4.107 -6.827 -1.861) 8.182 2.389 ( -11.863 -9.216 0.190) 15.023 2.462 ( 1.392 -2.797 -0.998) 3.280 2.516 ( -3.542 -0.399 4.375) 5.643 2.690 ( -4.994 -1.543 3.368) 6.219 2.764 ( -0.191 -1.450 -5.728) 5.912 2.879 ( 3.749 -1.716 -1.627) 4.433 2.981 ( -0.132 -6.456 -0.963) 6.529 3.002 ( -5.251 -3.261 -0.620) 6.212 3.043 ( -0.296 -1.335 1.844) 2.296 3.129 ( -0.972 0.924 3.455) 3.706 3.261 ( 3.886 6.639 -5.428) 9.414 3.418 ( 1.577 5.708 1.130) 6.029 3.480 ( -1.158 1.611 1.577) 2.535 3.511 ( 0.537 -3.721 2.151) 4.331 3.540 ( 3.472 1.359 -4.910) 6.165 3.612 ( 3.822 -2.729 0.230) 4.701 3.762 ( -1.760 0.184 4.112) 4.477 3.907 ( 5.085 2.403 -0.272) 5.631 3.999 ( 6.210 2.094 1.740) 6.780 4.113 ( 5.046 -0.150 -1.681) 5.321 4.199 ( 6.647 3.902 3.510) 8.469 4.364 ( 7.882 -0.587 -4.009) 8.862 4.510 ( 2.248 -0.119 -3.921) 4.521 4.629 ( -1.560 -2.926 0.303) 3.330 4.760 ( 3.344 0.478 0.738) 3.457 4.873 ( 1.904 -1.960 -2.196) 3.506 4.973 ( -3.743 -2.429 3.405) 5.613 5.016 ( 6.359 0.656 -0.609) 6.422 5.040 ( -0.768 1.019 0.040) 1.277 5.242 ( -0.729 -2.848 2.534) 3.881 5.303 ( -2.217 -1.341 0.636) 2.668 5.461 ( 4.767 -2.678 -0.008) 5.468 5.678 ( 0.109 3.481 -0.501) 3.519 5.802 ( 0.716 -2.169 -0.524) 2.344 5.889 ( -3.300 -2.965 0.299) 4.446 5.954 ( -4.918 -1.987 0.389) 5.318 6.130 ( -8.029 5.685 -0.369) 9.845 6.284 ( -5.750 10.352 3.086) 12.238 6.430 ( -1.791 0.115 -0.865) 1.992 6.533 ( -3.031 -0.796 -2.466) 3.988 6.649 ( -3.417 8.471 -3.614) 9.824 6.757 ( -0.468 4.347 0.895) 4.462 7.074 ( 4.776 1.161 -0.396) 4.931 7.166 ( -2.056 2.229 1.184) 3.255 7.376 ( 0.667 1.358 -0.183) 1.524 7.738 ( 2.671 1.284 -0.404) 2.992 7.845 ( -9.067 5.041 3.855) 11.067 7.886 ( -0.183 7.570 -5.805) 9.542 8.143 ( 5.911 2.543 0.089) 6.435 8.261 ( 4.746 -0.621 -0.361) 4.800 8.441 ( 2.972 -0.830 0.441) 3.117 8.504 ( 4.926 0.169 4.223) 6.491 8.751 ( -11.729 1.017 4.003) 12.434 9.130 ( -4.309 4.350 -4.512) 7.606 9.344 ( -2.867 0.191 -1.475) 3.230 9.520 ( 0.186 -1.948 -0.529) 2.027 9.870 ( 2.675 -0.945 0.919) 2.982 10.067 ( 1.690 -0.250 -1.121) 2.043 10.253 ( 2.990 -0.387 0.017) 3.015 10.296 ( 5.011 -0.985 4.013) 6.495 10.479 ( -3.600 0.637 -1.564) 3.976 10.689 ( -0.322 0.686 -2.496) 2.608 10.709 ( -4.841 6.847 2.991) 8.903 10.919 ( 4.224 0.540 0.319) 4.270 11.028 ( -7.913 8.732 -1.060) 11.832 11.053 ( -4.264 2.028 -0.767) 4.783 11.350 ( -6.089 0.993 0.656) 6.204 11.487 ( -10.960 6.867 0.094) 12.933 11.648 ( 2.099 -2.002 0.252) 2.912 11.747 ( -0.326 -4.684 -0.340) 4.707 12.409 ( 4.028 8.745 -0.197) 9.630 12.464 ( 5.639 3.116 0.196) 6.446 16.263 ( 3.810 0.741 -3.587) 5.285 16.348 ( 1.129 4.326 3.667) 5.783 17.954 ( 0.640 -4.243 -0.616) 4.335 18.246 ( -0.113 -4.475 0.386) 4.493 18.302 ( -6.447 -5.112 0.076) 8.228 18.774 ( 0.863 10.806 0.374) 10.847 18.925 ( 4.573 1.278 0.141) 4.750 19.053 ( 2.268 1.860 -1.213) 3.174 19.085 ( 3.125 -2.743 -0.311) 4.169 19.407 ( 1.022 5.400 3.451) 6.490 19.891 ( -7.643 5.746 1.073) 9.622 19.922 ( -10.138 9.991 -5.479) 15.252 20.442 ( -3.244 -10.942 0.996) 11.456 21.149 ( -1.438 -3.154 1.754) 3.885 21.607 ( -0.470 -2.067 -1.031) 2.357 21.757 ( -3.582 1.743 -0.200) 3.988 21.810 ( 3.222 3.540 2.225) 5.279 21.966 ( 1.773 7.311 -2.771) 8.017 22.782 ( -3.000 -5.456 5.617) 8.386 22.873 ( 2.710 -2.745 -5.481) 6.702 23.094 ( 5.021 -4.105 1.647) 6.691 23.184 ( 8.299 -3.877 -1.046) 9.220 ======================= Grid point 184 (81/86) ======================= q-point: (-0.30 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -19.428 -0.000 6.537) 20.498 1.190 ( -20.141 -0.000 0.072) 20.141 1.291 ( -9.857 -0.000 -1.177) 9.927 1.388 ( -10.333 -0.000 -7.656) 12.861 1.877 ( -9.215 -0.000 0.055) 9.215 1.975 ( -9.588 -0.000 3.195) 10.107 2.044 ( -16.526 -0.000 -1.024) 16.558 2.227 ( -17.705 -0.000 5.393) 18.508 2.257 ( 1.251 0.000 5.366) 5.509 2.347 ( 8.276 0.000 -2.273) 8.583 2.410 ( -4.178 -0.000 -7.268) 8.383 2.509 ( 7.637 0.000 -11.207) 13.562 2.704 ( -8.060 -0.000 7.676) 11.131 2.713 ( 5.092 0.000 -2.700) 5.763 2.817 ( -8.795 -0.000 4.122) 9.713 2.956 ( -1.794 -0.000 0.921) 2.017 3.142 ( 1.333 0.000 -1.009) 1.671 3.190 ( -9.546 -0.000 3.727) 10.247 3.291 ( 6.004 0.000 0.164) 6.006 3.454 ( -0.576 -0.000 -0.921) 1.086 3.486 ( 5.718 0.000 -3.725) 6.824 3.573 ( 5.728 0.000 3.172) 6.547 3.575 ( 0.763 0.000 -2.089) 2.224 3.804 ( -3.361 -0.000 -2.886) 4.430 3.864 ( -4.011 -0.000 2.656) 4.811 3.895 ( 5.607 0.000 2.828) 6.280 3.980 ( 12.360 0.000 -3.201) 12.768 4.271 ( 3.797 0.000 -1.752) 4.181 4.345 ( 7.184 0.000 8.651) 11.245 4.366 ( -0.414 -0.000 1.763) 1.811 4.445 ( 6.265 0.000 -1.363) 6.411 4.538 ( 7.381 0.000 -2.446) 7.776 4.677 ( 8.924 0.000 -4.355) 9.930 4.768 ( -1.205 -0.000 -1.784) 2.152 4.855 ( 1.576 0.000 -0.371) 1.619 5.001 ( -1.630 -0.000 1.587) 2.275 5.043 ( 4.738 0.000 0.502) 4.764 5.066 ( 13.506 0.000 -1.215) 13.561 5.259 ( 0.283 0.000 9.833) 9.837 5.385 ( 3.179 0.000 -8.989) 9.534 5.609 ( -6.985 -0.000 3.096) 7.640 5.641 ( 3.437 0.000 -2.264) 4.116 5.836 ( 3.678 0.000 -2.106) 4.238 5.960 ( -3.324 -0.000 0.755) 3.408 6.284 ( -2.045 -0.000 -3.310) 3.891 6.357 ( -11.682 -0.000 5.764) 13.027 6.588 ( -2.180 -0.000 -1.723) 2.778 6.602 ( -9.161 -0.000 -0.799) 9.196 6.979 ( 0.593 0.000 -3.728) 3.775 7.023 ( 3.868 0.000 -6.224) 7.328 7.256 ( -13.438 -0.000 9.254) 16.316 7.275 ( 2.536 0.000 -4.752) 5.387 7.451 ( 3.714 0.000 -4.737) 6.019 7.602 ( 8.591 0.000 11.294) 14.190 7.851 ( 0.315 0.000 -2.840) 2.857 7.936 ( 6.675 0.000 1.643) 6.874 8.314 ( 1.802 0.000 -2.567) 3.136 8.362 ( 3.983 0.000 2.884) 4.918 8.567 ( -6.770 -0.000 -3.542) 7.641 8.710 ( -2.341 -0.000 0.766) 2.463 9.021 ( -2.506 -0.000 0.869) 2.652 9.245 ( -4.823 -0.000 -0.133) 4.825 9.462 ( 3.021 0.000 -4.946) 5.796 9.594 ( 7.510 0.000 4.976) 9.008 9.772 ( 8.590 0.000 0.079) 8.590 9.967 ( 1.559 0.000 -4.510) 4.772 10.202 ( -2.829 -0.000 -1.915) 3.416 10.263 ( 2.705 0.000 8.475) 8.897 10.532 ( -5.057 -0.000 -0.130) 5.059 10.645 ( 1.670 0.000 -2.869) 3.320 10.916 ( -5.889 -0.000 -5.619) 8.140 10.937 ( -4.888 -0.000 2.652) 5.561 11.041 ( 0.315 0.000 1.505) 1.537 11.143 ( -3.170 -0.000 3.117) 4.446 11.477 ( 5.853 0.000 -2.723) 6.456 11.491 ( 0.013 0.000 1.328) 1.328 12.086 ( -13.590 -0.000 2.506) 13.819 12.306 ( -6.738 -0.000 -3.494) 7.590 12.598 ( 3.898 0.000 -0.186) 3.902 12.609 ( 3.222 0.000 0.229) 3.230 16.268 ( 8.481 0.000 -5.520) 10.119 16.483 ( 18.496 0.000 5.887) 19.410 18.048 ( -10.149 -0.000 0.020) 10.149 18.079 ( -7.184 -0.000 0.007) 7.184 18.343 ( -4.613 -0.000 0.124) 4.615 18.418 ( -2.341 -0.000 0.200) 2.349 18.985 ( 6.992 0.000 -0.617) 7.020 19.028 ( 7.363 0.000 0.182) 7.366 19.377 ( 1.070 0.000 -2.508) 2.726 19.480 ( 2.763 0.000 4.233) 5.055 20.087 ( -6.762 -0.000 12.758) 14.439 20.206 ( -6.890 -0.000 -18.164) 19.427 20.863 ( -17.345 -0.000 1.509) 17.410 21.356 ( -0.986 -0.000 -19.885) 19.909 21.732 ( 1.608 0.000 22.014) 22.073 21.748 ( 0.125 0.000 -6.052) 6.053 21.899 ( -5.478 -0.000 5.940) 8.081 22.249 ( -0.630 -0.000 -0.003) 0.630 22.433 ( 8.419 0.000 -4.342) 9.473 22.492 ( 2.938 0.000 5.128) 5.910 22.666 ( 3.527 0.000 -1.352) 3.777 22.756 ( 5.930 0.000 -0.451) 5.947 ======================= Grid point 185 (82/86) ======================= q-point: (-0.20 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -19.274 -0.583 6.169) 20.246 1.031 ( -16.701 -1.476 0.369) 16.770 1.131 ( -14.528 1.562 -1.930) 14.739 1.450 ( -7.329 -10.724 -6.392) 14.477 1.757 ( -15.610 -0.389 -0.670) 15.629 1.910 ( -15.219 -3.505 4.621) 16.287 1.936 ( -22.578 -4.539 -0.804) 23.044 2.160 ( -13.977 -6.006 -0.154) 15.214 2.277 ( -1.113 -0.365 7.343) 7.436 2.319 ( 8.689 8.573 -6.053) 13.625 2.403 ( -4.005 -4.264 -5.458) 8.001 2.609 ( -1.148 -2.333 4.514) 5.209 2.644 ( 3.438 -2.011 -2.794) 4.865 2.727 ( -6.384 -0.572 -0.300) 6.417 2.843 ( 3.676 -4.006 -0.094) 5.438 2.994 ( 1.634 -2.671 2.548) 4.037 3.056 ( -3.993 4.389 0.033) 5.934 3.197 ( 1.654 -0.255 0.101) 1.677 3.304 ( 1.147 0.362 0.873) 1.487 3.477 ( 1.688 0.063 -1.888) 2.533 3.521 ( 5.285 -0.068 -1.550) 5.508 3.528 ( -0.914 1.642 -0.343) 1.910 3.605 ( 8.585 2.784 -1.430) 9.138 3.746 ( -0.565 4.133 -2.112) 4.676 3.845 ( 0.463 1.614 6.184) 6.408 3.965 ( -0.291 -2.760 2.202) 3.542 4.034 ( 13.600 3.245 -2.514) 14.206 4.236 ( 2.977 4.904 0.964) 5.818 4.314 ( 2.757 1.425 -1.548) 3.468 4.370 ( 3.452 4.184 4.419) 6.996 4.494 ( 6.058 -0.550 -2.340) 6.518 4.646 ( 9.461 1.655 -3.870) 10.355 4.743 ( 1.078 -3.437 -0.292) 3.614 4.816 ( 4.458 -5.409 -1.511) 7.171 4.859 ( 2.276 0.659 -0.000) 2.369 4.987 ( -1.665 -0.051 2.700) 3.172 5.110 ( 4.833 -0.784 1.451) 5.107 5.196 ( 6.921 -2.096 -1.293) 7.346 5.231 ( 3.579 2.434 2.136) 4.826 5.377 ( -0.345 -0.402 -2.109) 2.174 5.623 ( -5.329 -4.371 1.966) 7.167 5.682 ( 3.421 -1.772 -2.964) 4.861 5.850 ( 3.081 0.388 -1.815) 3.597 5.961 ( -2.362 -0.637 1.616) 2.932 6.241 ( -5.630 1.471 -1.046) 5.913 6.315 ( -4.326 -2.392 0.931) 5.030 6.501 ( -7.849 0.884 -0.526) 7.916 6.571 ( -8.633 -1.057 -1.028) 8.758 6.942 ( -0.712 4.746 -0.106) 4.800 7.022 ( -2.753 5.312 -1.696) 6.219 7.084 ( -6.078 1.989 -1.161) 6.500 7.242 ( -2.791 2.653 -2.881) 4.809 7.469 ( 7.804 2.113 -1.175) 8.170 7.721 ( 5.096 -2.835 8.491) 10.301 7.882 ( 3.406 -1.239 -3.608) 5.115 8.016 ( 7.127 -1.150 2.655) 7.692 8.220 ( -0.071 5.900 -0.743) 5.947 8.416 ( -0.297 -0.157 -4.868) 4.880 8.475 ( -1.345 4.026 2.117) 4.743 8.654 ( -1.845 3.203 -0.225) 3.704 8.906 ( -7.102 8.040 1.749) 10.869 9.196 ( -9.504 -0.127 2.193) 9.754 9.449 ( 5.510 3.398 -8.408) 10.611 9.605 ( 4.108 5.417 5.881) 8.989 9.854 ( 9.940 -0.297 0.068) 9.945 10.002 ( 2.923 -2.632 -3.796) 5.466 10.206 ( -0.949 -2.121 -1.605) 2.824 10.302 ( 3.810 0.545 9.102) 9.882 10.466 ( -5.817 0.749 0.258) 5.871 10.658 ( 1.439 0.195 -4.336) 4.573 10.890 ( -3.761 -1.055 0.046) 3.906 10.919 ( -6.216 -2.291 -3.299) 7.400 11.025 ( 0.828 1.622 2.345) 2.969 11.143 ( -2.903 -1.639 2.820) 4.366 11.485 ( -2.823 0.228 1.423) 3.170 11.541 ( 2.772 -1.780 -2.674) 4.243 11.858 ( -11.157 11.312 1.890) 16.000 12.056 ( -15.247 15.771 -2.229) 22.049 12.565 ( 6.986 2.774 -0.688) 7.548 12.653 ( 3.489 2.118 0.006) 4.082 16.306 ( 8.233 1.516 -6.040) 10.323 16.591 ( 15.486 6.586 6.344) 17.984 17.906 ( -7.747 3.379 -0.117) 8.453 18.080 ( -6.542 -4.126 0.436) 7.747 18.140 ( -10.331 2.043 -0.377) 10.538 18.728 ( 4.987 -16.376 0.430) 17.124 19.032 ( 8.031 1.342 -1.315) 8.248 19.071 ( 6.546 1.450 0.301) 6.711 19.304 ( 1.753 8.050 -1.312) 8.342 19.504 ( 3.354 -0.059 4.316) 5.466 20.033 ( -9.173 1.941 3.930) 10.167 20.098 ( -7.508 0.222 -9.886) 12.415 20.579 ( -22.549 14.528 -2.844) 26.974 21.172 ( -8.403 8.570 -4.941) 12.980 21.525 ( -1.317 2.009 6.313) 6.755 21.812 ( -3.664 2.984 0.192) 4.729 21.985 ( 6.245 -1.012 -0.062) 6.327 22.190 ( -0.105 4.276 0.926) 4.376 22.567 ( 0.663 -5.219 3.080) 6.096 22.695 ( 7.314 -7.381 -2.883) 10.783 22.789 ( 9.707 -12.569 0.240) 15.883 22.878 ( 7.583 -7.993 0.948) 11.058 ======================= Grid point 186 (83/86) ======================= q-point: (-0.10 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -13.845 -1.811 -6.534) 15.416 1.013 ( -11.219 -7.005 2.384) 13.440 1.115 ( -11.212 -11.239 0.412) 15.880 1.575 ( -8.817 -9.366 -1.124) 12.912 1.708 ( -6.757 -2.533 1.185) 7.313 1.793 ( -16.644 0.441 4.922) 17.362 1.961 ( -17.313 -11.271 -1.050) 20.685 2.193 ( -16.343 -7.699 4.527) 18.624 2.231 ( 4.601 3.084 -6.825) 8.790 2.279 ( -0.038 -1.588 1.721) 2.342 2.464 ( -2.341 -4.873 -3.947) 6.693 2.602 ( -6.942 -1.570 3.241) 7.820 2.695 ( -1.642 -4.472 -1.782) 5.086 2.792 ( -1.133 -5.475 -0.220) 5.595 2.944 ( 8.015 -2.089 -3.405) 8.956 2.975 ( 0.416 1.961 -1.543) 2.530 3.057 ( 3.117 -0.826 3.494) 4.754 3.153 ( -1.079 3.050 1.800) 3.702 3.396 ( 4.766 -1.523 -2.144) 5.443 3.414 ( 1.805 0.086 -1.462) 2.325 3.525 ( -2.625 1.913 4.434) 5.497 3.580 ( 5.130 6.719 -0.934) 8.505 3.606 ( 6.422 -2.106 0.765) 6.801 3.614 ( 4.422 4.903 -6.926) 9.569 3.804 ( -1.646 4.003 6.765) 8.031 3.991 ( 4.935 1.291 0.710) 5.151 4.113 ( 8.758 -1.465 -0.448) 8.891 4.170 ( 4.700 6.428 -0.154) 7.965 4.305 ( 1.841 3.237 3.824) 5.338 4.388 ( 7.900 -4.000 -3.806) 9.639 4.517 ( -0.300 -0.057 -0.237) 0.387 4.628 ( 4.468 4.787 -5.843) 8.776 4.754 ( -1.348 -1.011 -1.233) 2.088 4.883 ( 0.651 -0.304 1.851) 1.986 4.927 ( -0.285 0.588 3.044) 3.113 5.016 ( 0.606 -4.262 2.811) 5.141 5.118 ( 7.244 3.410 0.670) 8.034 5.202 ( -1.447 -0.349 -1.240) 1.938 5.287 ( 4.897 -1.451 -2.549) 5.708 5.441 ( 3.532 -3.422 1.825) 5.245 5.678 ( -5.316 -5.645 0.472) 7.769 5.719 ( 1.691 0.029 -1.578) 2.313 5.876 ( 2.864 -0.872 -1.737) 3.461 5.914 ( -3.882 2.510 1.652) 4.909 6.146 ( -9.079 3.039 0.384) 9.582 6.337 ( -3.231 -0.556 0.466) 3.312 6.432 ( -8.494 1.489 2.192) 8.898 6.494 ( -5.929 1.327 -4.090) 7.324 6.709 ( -11.152 7.100 2.695) 13.492 6.895 ( 0.856 7.664 -6.748) 10.247 7.100 ( 3.772 -1.067 -3.999) 5.600 7.154 ( -6.802 1.168 2.119) 7.219 7.474 ( 7.010 3.874 0.562) 8.029 7.773 ( -1.967 1.682 6.282) 6.794 7.879 ( 0.167 2.831 -4.055) 4.949 8.016 ( 2.771 6.218 -2.370) 7.208 8.174 ( 0.166 -0.960 2.732) 2.900 8.366 ( 8.304 3.785 -2.823) 9.552 8.457 ( 3.366 0.471 1.789) 3.841 8.591 ( 2.187 2.635 -0.112) 3.426 8.685 ( -14.459 3.960 4.876) 15.765 9.114 ( -10.646 0.742 2.964) 11.076 9.382 ( 2.861 4.825 -7.770) 9.583 9.529 ( -0.472 3.489 1.994) 4.046 9.916 ( 7.125 1.407 1.558) 7.428 10.064 ( 2.199 -1.414 -1.818) 3.184 10.239 ( 1.965 -2.026 -2.568) 3.816 10.346 ( 3.234 0.430 9.827) 10.355 10.446 ( -2.575 -1.474 -2.038) 3.600 10.651 ( -0.442 -1.265 -4.311) 4.514 10.799 ( -6.924 5.255 2.136) 8.951 10.945 ( -0.073 -2.246 -3.000) 3.748 11.011 ( -0.732 1.486 2.059) 2.643 11.141 ( -2.726 2.812 0.821) 4.001 11.329 ( -12.238 5.721 0.154) 13.510 11.506 ( -11.203 5.300 -1.386) 12.471 11.689 ( -3.828 4.549 2.582) 6.481 11.706 ( 0.387 1.737 -1.805) 2.535 12.563 ( 5.226 3.693 -0.110) 6.400 12.597 ( 4.252 6.045 -0.262) 7.395 16.316 ( 5.965 1.974 -5.211) 8.163 16.496 ( 1.638 9.665 5.645) 11.312 17.887 ( 1.577 -3.549 -0.571) 3.925 18.123 ( -6.757 -6.829 1.660) 9.750 18.139 ( -3.805 -5.722 -1.409) 7.015 18.935 ( 0.610 1.224 1.341) 1.916 19.023 ( 5.671 4.864 -0.020) 7.471 19.081 ( 3.470 0.412 -1.957) 4.005 19.155 ( 6.102 6.825 -0.533) 9.170 19.532 ( 2.685 4.158 5.779) 7.609 19.899 ( -10.808 3.008 -3.163) 11.656 19.981 ( -15.741 7.871 -9.300) 19.906 20.238 ( -6.515 -5.162 5.190) 9.799 21.055 ( -8.338 -2.603 0.722) 8.765 21.550 ( -0.570 -2.800 0.719) 2.947 21.743 ( -3.625 1.051 0.349) 3.790 21.956 ( 5.015 6.514 -0.225) 8.224 22.103 ( 1.346 5.779 -1.267) 6.068 22.672 ( -1.804 -5.198 6.250) 8.327 22.818 ( 3.983 -4.096 -6.808) 8.888 23.035 ( 5.929 -7.024 2.857) 9.626 23.170 ( 13.779 -7.244 -1.942) 15.688 ======================= Grid point 195 (84/86) ======================= q-point: (-0.20 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -18.366 -0.000 11.014) 21.415 0.819 ( -25.865 -0.000 6.706) 26.721 1.168 ( -12.231 -0.000 -8.785) 15.059 1.184 ( -1.234 -0.000 -9.954) 10.031 1.521 ( -35.521 -0.000 8.961) 36.634 1.640 ( -26.640 -0.000 -6.072) 27.324 1.842 ( -9.400 -0.000 -1.439) 9.510 2.031 ( -4.930 -0.000 -0.551) 4.960 2.227 ( -9.466 -0.000 6.285) 11.363 2.298 ( -5.733 -0.000 -6.926) 8.991 2.545 ( 13.460 0.000 -1.569) 13.552 2.586 ( 4.852 0.000 -1.788) 5.171 2.612 ( -7.426 -0.000 6.460) 9.843 2.672 ( -5.598 -0.000 -1.053) 5.697 2.867 ( 9.377 0.000 2.279) 9.650 2.956 ( 1.025 0.000 1.853) 2.118 3.129 ( 1.911 0.000 -4.349) 4.750 3.175 ( 3.291 0.000 -0.197) 3.297 3.354 ( -0.643 -0.000 2.408) 2.492 3.426 ( -1.942 -0.000 -1.635) 2.539 3.565 ( 5.379 0.000 -0.434) 5.396 3.566 ( -0.650 -0.000 -2.776) 2.851 3.654 ( 1.474 0.000 1.522) 2.119 3.784 ( 1.452 0.000 -1.545) 2.120 3.883 ( 8.084 0.000 -3.102) 8.658 3.931 ( -3.148 -0.000 7.018) 7.692 4.188 ( 13.681 0.000 -1.530) 13.767 4.313 ( 1.873 0.000 0.845) 2.055 4.353 ( -1.221 -0.000 1.943) 2.295 4.474 ( 5.388 0.000 2.463) 5.924 4.534 ( 5.871 0.000 -2.572) 6.409 4.617 ( 0.954 0.000 -0.081) 0.958 4.791 ( 8.542 0.000 -2.329) 8.853 4.808 ( 9.952 0.000 -5.970) 11.605 4.874 ( 0.958 0.000 -1.473) 1.757 4.985 ( -1.486 -0.000 2.850) 3.214 5.126 ( 2.246 0.000 5.169) 5.636 5.245 ( 8.393 0.000 -5.874) 10.244 5.274 ( -0.312 -0.000 2.923) 2.940 5.370 ( 0.261 0.000 -5.692) 5.698 5.557 ( -1.142 -0.000 3.865) 4.030 5.685 ( 3.281 0.000 -2.526) 4.141 5.885 ( 3.789 0.000 -1.831) 4.209 5.936 ( -0.297 -0.000 1.674) 1.700 6.207 ( -9.819 -0.000 4.900) 10.973 6.264 ( 1.162 0.000 -5.407) 5.530 6.439 ( -10.167 -0.000 -0.760) 10.195 6.469 ( -10.916 -0.000 -1.689) 11.046 6.991 ( 1.653 0.000 -2.263) 2.802 7.002 ( -21.046 -0.000 11.548) 24.006 7.061 ( 2.187 0.000 -6.743) 7.089 7.248 ( -1.707 -0.000 -9.345) 9.500 7.562 ( 11.397 0.000 -4.365) 12.205 7.721 ( 0.161 0.000 9.814) 9.815 7.940 ( 11.884 0.000 -2.892) 12.231 8.062 ( 5.859 0.000 5.552) 8.072 8.317 ( -1.363 -0.000 1.408) 1.960 8.354 ( -3.925 -0.000 -9.467) 10.249 8.489 ( -2.320 -0.000 7.754) 8.094 8.646 ( -4.698 -0.000 -1.514) 4.936 8.991 ( 0.784 0.000 -6.773) 6.818 9.121 ( -10.448 -0.000 2.914) 10.847 9.524 ( 7.272 0.000 -5.522) 9.131 9.755 ( 9.157 0.000 4.582) 10.240 9.945 ( 12.221 0.000 -1.714) 12.341 9.977 ( 2.161 0.000 -2.061) 2.986 10.149 ( -2.040 -0.000 -2.339) 3.104 10.346 ( 2.250 0.000 4.686) 5.198 10.487 ( -1.050 -0.000 10.505) 10.558 10.659 ( 2.573 0.000 -7.393) 7.827 10.797 ( -4.998 -0.000 -6.580) 8.263 10.862 ( -6.256 -0.000 4.339) 7.613 11.052 ( 0.039 0.000 2.131) 2.131 11.108 ( -2.601 -0.000 1.956) 3.254 11.475 ( -4.314 -0.000 4.471) 6.213 11.552 ( 5.431 0.000 -4.809) 7.255 11.874 ( -13.831 -0.000 3.658) 14.306 12.127 ( -12.964 -0.000 -10.553) 16.717 12.661 ( 4.234 0.000 -0.597) 4.276 12.666 ( 3.456 0.000 0.437) 3.483 16.386 ( 11.019 0.000 -9.901) 14.814 16.873 ( 26.722 0.000 8.518) 28.047 17.892 ( -8.637 -0.000 -0.223) 8.639 17.969 ( -6.706 -0.000 0.816) 6.755 18.266 ( -5.688 -0.000 1.413) 5.861 18.366 ( -4.060 -0.000 -2.929) 5.007 19.101 ( 7.854 0.000 -2.393) 8.210 19.144 ( 6.489 0.000 1.161) 6.592 19.400 ( 2.464 0.000 -0.391) 2.495 19.517 ( -0.224 -0.000 1.070) 1.094 19.987 ( -11.936 -0.000 7.908) 14.318 20.007 ( -8.947 -0.000 -12.395) 15.287 20.577 ( -18.106 -0.000 0.641) 18.117 21.165 ( -11.277 -0.000 -30.313) 32.343 21.739 ( 1.202 0.000 -3.579) 3.776 21.810 ( -2.825 -0.000 4.047) 4.936 21.913 ( 3.991 0.000 19.851) 20.248 22.235 ( -1.198 -0.000 0.689) 1.382 22.562 ( 9.689 0.000 -3.127) 10.181 22.589 ( 5.904 0.000 11.850) 13.239 22.723 ( 3.821 0.000 -0.731) 3.890 22.845 ( 5.868 0.000 -2.072) 6.223 ======================= Grid point 196 (85/86) ======================= q-point: (-0.10 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -17.742 -0.551 6.288) 18.831 0.761 ( -17.887 -9.512 9.801) 22.505 0.961 ( -4.985 4.502 -11.856) 13.627 1.316 ( -4.450 -9.531 -8.058) 13.250 1.387 ( -28.746 -14.462 9.885) 33.663 1.521 ( -24.672 -9.823 -5.953) 27.215 1.759 ( -6.446 0.580 2.963) 7.118 1.997 ( -7.074 -0.623 -2.804) 7.635 2.226 ( -6.467 -5.122 3.897) 9.124 2.285 ( -4.688 -4.324 -4.916) 8.052 2.438 ( 1.815 8.601 4.350) 9.807 2.565 ( -3.271 2.936 0.086) 4.396 2.624 ( -1.961 -1.155 -0.731) 2.391 2.715 ( 1.428 -2.027 0.075) 2.481 2.963 ( 9.872 -2.047 -5.494) 11.481 3.016 ( 1.016 -2.245 3.956) 4.661 3.076 ( 4.714 2.936 -1.698) 5.807 3.215 ( -1.363 3.317 0.984) 3.719 3.323 ( 3.989 -4.618 -2.045) 6.436 3.492 ( 2.169 -0.313 -2.253) 3.143 3.512 ( -2.387 0.043 2.356) 3.354 3.620 ( 6.951 -1.590 -0.643) 7.160 3.696 ( -0.075 0.534 -3.329) 3.373 3.736 ( 3.006 4.973 -0.386) 5.823 3.867 ( -2.615 2.359 7.397) 8.192 3.986 ( 4.534 -2.289 -2.108) 5.499 4.217 ( 8.459 5.130 2.208) 10.137 4.301 ( 3.614 1.117 0.546) 3.822 4.358 ( 3.808 -1.437 -1.058) 4.205 4.436 ( 4.225 7.520 1.089) 8.694 4.548 ( 2.672 2.172 -2.837) 4.462 4.690 ( -5.738 -2.684 -1.008) 6.414 4.775 ( 8.468 4.506 -5.854) 11.238 4.871 ( 1.580 -0.351 -1.243) 2.041 4.923 ( 2.693 -2.924 3.814) 5.510 5.005 ( 4.087 -0.028 1.630) 4.400 5.150 ( -5.822 -1.428 6.489) 8.834 5.238 ( 3.359 1.483 -10.189) 10.831 5.306 ( 8.339 -0.758 -3.438) 9.052 5.405 ( 3.600 -2.596 1.536) 4.696 5.571 ( -1.996 -1.718 1.999) 3.306 5.719 ( 2.721 -1.175 -1.723) 3.428 5.894 ( 2.752 1.284 -1.756) 3.508 5.948 ( -1.196 0.845 2.823) 3.180 6.115 ( -8.696 2.105 1.000) 9.003 6.295 ( -1.528 -2.442 -0.459) 2.917 6.356 ( -9.143 -0.461 0.289) 9.159 6.417 ( -7.206 -2.432 -4.880) 9.036 6.755 ( -19.947 7.617 7.998) 22.801 6.981 ( 0.089 2.460 -6.637) 7.078 7.088 ( 3.212 -1.259 -5.370) 6.383 7.153 ( -6.570 3.824 -4.295) 8.731 7.598 ( 8.262 3.143 -0.568) 8.858 7.777 ( -1.295 -1.715 5.629) 6.025 7.972 ( 6.658 4.802 -2.671) 8.633 8.132 ( 6.132 -0.063 4.906) 7.853 8.195 ( -1.809 5.234 -2.018) 5.894 8.388 ( 2.819 -3.779 -3.942) 6.146 8.484 ( -3.029 0.291 6.691) 7.350 8.607 ( -3.057 0.259 -1.181) 3.287 8.815 ( -3.440 15.172 -3.438) 15.933 9.038 ( -11.858 0.216 3.918) 12.491 9.507 ( 5.440 6.194 -5.285) 9.793 9.676 ( 0.741 11.136 4.670) 12.099 9.990 ( 5.581 -2.433 0.146) 6.090 10.070 ( 8.671 0.631 -3.709) 9.452 10.203 ( 1.953 -4.039 -1.466) 4.720 10.379 ( -3.189 -1.132 -1.654) 3.767 10.417 ( 2.353 3.791 13.828) 14.530 10.641 ( -0.983 1.582 -6.090) 6.368 10.813 ( -6.383 1.505 3.626) 7.494 10.853 ( 1.006 -5.628 -3.566) 6.738 11.055 ( 1.435 0.460 2.703) 3.095 11.115 ( -1.659 -2.066 0.906) 2.800 11.368 ( -12.581 7.150 2.868) 14.752 11.532 ( -6.919 5.885 -7.379) 11.703 11.734 ( -5.601 3.919 2.740) 7.365 11.786 ( -12.859 10.202 -3.505) 16.784 12.661 ( 5.212 2.297 -0.774) 5.748 12.701 ( 2.767 1.575 -0.404) 3.209 16.416 ( 10.541 3.539 -9.422) 14.575 16.821 ( 5.176 22.123 9.652) 24.685 17.840 ( 2.001 -3.030 -0.697) 3.698 17.967 ( -8.528 -2.465 2.368) 9.188 18.000 ( -5.778 -2.933 -2.229) 6.853 18.805 ( 2.945 -18.060 -1.515) 18.362 19.117 ( -0.457 3.291 -2.034) 3.896 19.166 ( 8.053 2.468 -1.115) 8.496 19.351 ( 4.154 6.866 0.729) 8.058 19.561 ( 1.999 -5.079 0.854) 5.525 19.861 ( -9.201 4.005 -4.985) 11.205 19.908 ( -15.479 0.829 -2.539) 15.708 20.244 ( -16.536 13.136 2.997) 21.330 20.928 ( -17.631 0.516 -12.285) 21.495 21.553 ( 0.700 4.555 7.891) 9.138 21.756 ( -3.329 3.028 0.538) 4.532 22.090 ( 6.959 1.151 -1.390) 7.189 22.188 ( -0.609 2.934 1.029) 3.168 22.599 ( 0.764 -2.571 5.992) 6.565 22.766 ( 4.362 -2.960 -4.825) 7.147 22.943 ( 7.507 -8.288 0.904) 11.218 23.071 ( 17.280 -17.047 -1.368) 24.312 ======================= Grid point 206 (86/86) ======================= q-point: (-0.10 -0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -19.495 -0.000 14.013) 24.009 0.521 ( -16.984 -0.000 14.092) 22.069 0.922 ( -19.785 -0.000 4.254) 20.237 1.030 ( -23.629 -0.000 5.744) 24.317 1.169 ( -7.377 -0.000 -9.812) 12.276 1.222 ( -4.577 -0.000 -20.730) 21.229 1.731 ( -3.096 -0.000 1.353) 3.379 2.005 ( 1.818 0.000 -3.310) 3.776 2.067 ( -11.364 -0.000 6.723) 13.203 2.194 ( -3.011 -0.000 -6.033) 6.743 2.526 ( -5.863 -0.000 6.046) 8.422 2.596 ( -2.976 -0.000 0.166) 2.981 2.660 ( 2.439 0.000 3.663) 4.400 2.726 ( 7.918 0.000 -0.201) 7.921 2.992 ( 2.980 0.000 0.304) 2.995 3.011 ( 8.155 0.000 -3.007) 8.692 3.175 ( 5.997 0.000 -7.208) 9.377 3.231 ( 3.329 0.000 -0.758) 3.414 3.312 ( -4.081 -0.000 2.999) 5.064 3.394 ( 0.046 0.000 -4.899) 4.899 3.547 ( 0.958 0.000 -2.722) 2.886 3.593 ( -3.740 -0.000 5.386) 6.557 3.703 ( 4.609 0.000 -1.736) 4.925 3.800 ( -1.254 -0.000 -0.271) 1.283 3.873 ( -5.869 -0.000 8.208) 10.091 4.014 ( 8.289 0.000 -8.464) 11.847 4.324 ( -1.248 -0.000 3.388) 3.611 4.339 ( 0.831 0.000 3.575) 3.671 4.396 ( 10.562 0.000 -3.516) 11.132 4.548 ( 2.401 0.000 -1.606) 2.889 4.606 ( 4.342 0.000 -3.772) 5.752 4.612 ( 1.909 0.000 -2.720) 3.323 4.844 ( -0.736 -0.000 -2.648) 2.748 4.930 ( 4.050 0.000 2.505) 4.762 4.954 ( 9.516 0.000 -6.169) 11.341 5.002 ( 5.048 0.000 -1.667) 5.316 5.070 ( -10.693 -0.000 9.933) 14.595 5.160 ( -13.686 -0.000 -14.891) 20.225 5.387 ( 12.265 0.000 -3.167) 12.667 5.418 ( 5.121 0.000 0.761) 5.177 5.581 ( 1.368 0.000 3.352) 3.621 5.708 ( -0.590 -0.000 -0.516) 0.784 5.931 ( 1.723 0.000 0.328) 1.754 5.959 ( 2.760 0.000 0.440) 2.794 6.119 ( -2.945 -0.000 5.705) 6.420 6.196 ( -9.095 -0.000 0.265) 9.099 6.276 ( -9.916 -0.000 -3.163) 10.408 6.362 ( 2.850 0.000 -4.980) 5.738 6.680 ( -21.119 -0.000 8.682) 22.834 6.976 ( -3.806 -0.000 -7.086) 8.043 7.097 ( 4.865 0.000 -6.918) 8.457 7.115 ( -10.851 -0.000 -7.137) 12.988 7.717 ( 8.509 0.000 -3.312) 9.131 7.740 ( -1.215 -0.000 5.007) 5.153 8.112 ( 6.339 0.000 1.747) 6.576 8.113 ( 0.467 0.000 1.960) 2.015 8.304 ( 2.298 0.000 1.056) 2.529 8.326 ( 5.017 0.000 -0.080) 5.018 8.486 ( -3.231 -0.000 5.426) 6.315 8.576 ( -2.498 -0.000 -3.368) 4.194 8.952 ( -12.831 -0.000 4.727) 13.674 8.980 ( 2.340 0.000 -11.898) 12.126 9.652 ( 11.939 0.000 -3.927) 12.569 9.876 ( 4.663 0.000 -1.702) 4.964 10.020 ( 2.315 0.000 0.054) 2.316 10.040 ( -1.684 -0.000 0.670) 1.812 10.192 ( 11.094 0.000 -5.187) 12.247 10.355 ( -0.644 -0.000 1.510) 1.641 10.635 ( -0.699 -0.000 -6.985) 7.020 10.656 ( 12.228 0.000 16.432) 20.483 10.742 ( 1.589 0.000 -5.722) 5.938 10.796 ( -2.359 -0.000 7.183) 7.560 11.065 ( 0.839 0.000 1.117) 1.397 11.080 ( -1.609 -0.000 0.438) 1.668 11.365 ( -12.920 -0.000 6.474) 14.451 11.532 ( -14.151 -0.000 -19.803) 24.340 11.726 ( -6.081 -0.000 2.232) 6.478 11.782 ( -17.284 -0.000 -10.984) 20.479 12.714 ( 2.200 0.000 0.231) 2.213 12.717 ( 2.813 0.000 -0.637) 2.885 16.556 ( 18.301 0.000 -12.113) 21.947 17.359 ( 27.607 0.000 -2.457) 27.716 17.797 ( -2.766 -0.000 -0.401) 2.795 17.893 ( -2.342 -0.000 1.964) 3.057 18.170 ( -7.825 -0.000 2.539) 8.227 18.177 ( -22.520 -0.000 -14.687) 26.886 19.145 ( -2.731 -0.000 -5.607) 6.237 19.226 ( 1.927 0.000 2.649) 3.276 19.441 ( 2.137 0.000 0.381) 2.171 19.476 ( -2.724 -0.000 -1.591) 3.154 19.803 ( -11.719 -0.000 2.311) 11.945 19.861 ( -3.986 -0.000 -2.059) 4.487 20.337 ( -11.960 -0.000 0.611) 11.976 20.665 ( -33.347 -0.000 -31.427) 45.823 21.749 ( 1.626 0.000 -2.231) 2.761 21.770 ( -2.914 -0.000 1.973) 3.519 22.087 ( 7.415 0.000 8.464) 11.253 22.217 ( -1.467 -0.000 0.657) 1.607 22.693 ( 7.207 0.000 -0.710) 7.242 22.765 ( 2.852 0.000 -0.011) 2.852 22.829 ( 14.778 0.000 12.903) 19.618 22.921 ( 5.052 0.000 -2.331) 5.563 =================== 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 3/30600 10.0 98.636 50.916 44.340 0.000 -5.925 0.000 3/30600 20.0 32.068 16.453 12.086 0.000 -2.880 0.000 3/30600 30.0 16.850 8.747 6.208 -0.000 -1.709 0.000 3/30600 40.0 11.025 5.741 4.059 -0.000 -1.212 0.000 3/30600 50.0 8.111 4.225 3.001 -0.000 -0.945 0.000 3/30600 60.0 6.404 3.334 2.384 -0.000 -0.778 0.000 3/30600 70.0 5.296 2.755 1.983 -0.000 -0.663 0.000 3/30600 80.0 4.521 2.352 1.703 -0.000 -0.579 0.000 3/30600 90.0 3.951 2.056 1.496 -0.000 -0.515 0.000 3/30600 100.0 3.513 1.829 1.337 -0.000 -0.464 0.000 3/30600 110.0 3.167 1.650 1.211 -0.000 -0.423 0.000 3/30600 120.0 2.886 1.506 1.108 -0.000 -0.389 0.000 3/30600 130.0 2.654 1.387 1.023 -0.000 -0.360 0.000 3/30600 140.0 2.458 1.287 0.951 -0.000 -0.335 0.000 3/30600 150.0 2.292 1.202 0.890 -0.000 -0.314 0.000 3/30600 160.0 2.148 1.128 0.837 -0.000 -0.295 0.000 3/30600 170.0 2.022 1.064 0.790 -0.000 -0.278 0.000 3/30600 180.0 1.911 1.008 0.750 -0.000 -0.263 0.000 3/30600 190.0 1.813 0.958 0.713 -0.000 -0.250 0.000 3/30600 200.0 1.725 0.913 0.681 -0.000 -0.238 0.000 3/30600 210.0 1.646 0.873 0.651 -0.000 -0.227 0.000 3/30600 220.0 1.574 0.837 0.625 -0.000 -0.217 0.000 3/30600 230.0 1.509 0.804 0.600 -0.000 -0.208 0.000 3/30600 240.0 1.449 0.773 0.578 -0.000 -0.200 0.000 3/30600 250.0 1.394 0.745 0.557 -0.000 -0.193 0.000 3/30600 260.0 1.343 0.719 0.539 -0.000 -0.186 0.000 3/30600 270.0 1.297 0.695 0.521 -0.000 -0.179 0.000 3/30600 280.0 1.253 0.673 0.504 -0.000 -0.173 0.000 3/30600 290.0 1.212 0.652 0.489 -0.000 -0.167 0.000 3/30600 300.0 1.174 0.633 0.475 -0.000 -0.162 0.000 3/30600 310.0 1.139 0.615 0.461 -0.000 -0.157 0.000 3/30600 320.0 1.105 0.597 0.449 -0.000 -0.152 0.000 3/30600 330.0 1.074 0.581 0.437 -0.000 -0.148 0.000 3/30600 340.0 1.044 0.566 0.425 -0.000 -0.144 0.000 3/30600 350.0 1.016 0.551 0.414 -0.000 -0.140 0.000 3/30600 360.0 0.989 0.537 0.404 -0.000 -0.136 0.000 3/30600 370.0 0.964 0.524 0.394 -0.000 -0.133 0.000 3/30600 380.0 0.940 0.512 0.385 -0.000 -0.129 0.000 3/30600 390.0 0.917 0.500 0.376 -0.000 -0.126 0.000 3/30600 400.0 0.896 0.489 0.368 -0.000 -0.123 0.000 3/30600 410.0 0.875 0.478 0.360 -0.000 -0.120 0.000 3/30600 420.0 0.855 0.467 0.352 -0.000 -0.117 0.000 3/30600 430.0 0.836 0.457 0.345 -0.000 -0.115 0.000 3/30600 440.0 0.818 0.448 0.338 -0.000 -0.112 0.000 3/30600 450.0 0.801 0.439 0.331 -0.000 -0.110 0.000 3/30600 460.0 0.785 0.430 0.324 -0.000 -0.108 0.000 3/30600 470.0 0.769 0.422 0.318 -0.000 -0.105 0.000 3/30600 480.0 0.753 0.413 0.312 -0.000 -0.103 0.000 3/30600 490.0 0.739 0.406 0.306 -0.000 -0.101 0.000 3/30600 500.0 0.725 0.398 0.300 -0.000 -0.099 0.000 3/30600 510.0 0.711 0.391 0.295 -0.000 -0.097 0.000 3/30600 520.0 0.698 0.384 0.290 -0.000 -0.095 0.000 3/30600 530.0 0.685 0.377 0.285 -0.000 -0.094 0.000 3/30600 540.0 0.673 0.371 0.280 -0.000 -0.092 0.000 3/30600 550.0 0.661 0.364 0.275 -0.000 -0.090 0.000 3/30600 560.0 0.650 0.358 0.271 -0.000 -0.089 0.000 3/30600 570.0 0.639 0.352 0.266 -0.000 -0.087 0.000 3/30600 580.0 0.628 0.347 0.262 -0.000 -0.086 0.000 3/30600 590.0 0.618 0.341 0.258 -0.000 -0.084 0.000 3/30600 600.0 0.608 0.336 0.254 -0.000 -0.083 0.000 3/30600 610.0 0.599 0.331 0.250 -0.000 -0.082 0.000 3/30600 620.0 0.589 0.326 0.246 -0.000 -0.080 0.000 3/30600 630.0 0.580 0.321 0.242 -0.000 -0.079 0.000 3/30600 640.0 0.571 0.316 0.239 -0.000 -0.078 0.000 3/30600 650.0 0.563 0.311 0.235 -0.000 -0.077 0.000 3/30600 660.0 0.555 0.307 0.232 -0.000 -0.076 0.000 3/30600 670.0 0.547 0.302 0.229 -0.000 -0.075 0.000 3/30600 680.0 0.539 0.298 0.226 -0.000 -0.074 0.000 3/30600 690.0 0.531 0.294 0.222 -0.000 -0.072 0.000 3/30600 700.0 0.524 0.290 0.219 -0.000 -0.071 0.000 3/30600 710.0 0.517 0.286 0.216 -0.000 -0.070 0.000 3/30600 720.0 0.510 0.282 0.214 -0.000 -0.070 0.000 3/30600 730.0 0.503 0.279 0.211 -0.000 -0.069 0.000 3/30600 740.0 0.496 0.275 0.208 -0.000 -0.068 0.000 3/30600 750.0 0.490 0.272 0.205 -0.000 -0.067 0.000 3/30600 760.0 0.483 0.268 0.203 -0.000 -0.066 0.000 3/30600 770.0 0.477 0.265 0.200 -0.000 -0.065 0.000 3/30600 780.0 0.471 0.262 0.198 -0.000 -0.064 0.000 3/30600 790.0 0.466 0.258 0.195 -0.000 -0.063 0.000 3/30600 800.0 0.460 0.255 0.193 -0.000 -0.063 0.000 3/30600 810.0 0.454 0.252 0.191 -0.000 -0.062 0.000 3/30600 820.0 0.449 0.249 0.189 -0.000 -0.061 0.000 3/30600 830.0 0.444 0.246 0.186 -0.000 -0.060 0.000 3/30600 840.0 0.438 0.244 0.184 -0.000 -0.060 0.000 3/30600 850.0 0.433 0.241 0.182 -0.000 -0.059 0.000 3/30600 860.0 0.428 0.238 0.180 -0.000 -0.058 0.000 3/30600 870.0 0.424 0.235 0.178 -0.000 -0.058 0.000 3/30600 880.0 0.419 0.233 0.176 -0.000 -0.057 0.000 3/30600 890.0 0.414 0.230 0.174 -0.000 -0.056 0.000 3/30600 900.0 0.410 0.228 0.172 -0.000 -0.056 0.000 3/30600 910.0 0.405 0.225 0.171 -0.000 -0.055 0.000 3/30600 920.0 0.401 0.223 0.169 -0.000 -0.055 0.000 3/30600 930.0 0.397 0.221 0.167 -0.000 -0.054 0.000 3/30600 940.0 0.393 0.218 0.165 -0.000 -0.053 0.000 3/30600 950.0 0.389 0.216 0.164 -0.000 -0.053 0.000 3/30600 960.0 0.385 0.214 0.162 -0.000 -0.052 0.000 3/30600 970.0 0.381 0.212 0.160 -0.000 -0.052 0.000 3/30600 980.0 0.377 0.210 0.159 -0.000 -0.051 0.000 3/30600 990.0 0.373 0.208 0.157 -0.000 -0.051 0.000 3/30600 1000.0 0.369 0.206 0.156 -0.000 -0.050 0.000 3/30600 Thermal conductivity related properties were written into "kappa-m10103.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:16:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|