# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/adccfbfa-81f8-4106-9bfd-28f071954d49/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for RbLiF2 / C2/c (15) / materials id 7593](https://mdr.nims.go.jp/datasets/b71d271a-f6d1-4578-88a6-3efd4ac8d123) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 22:27:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/c (15)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 2.899149390201427 -5.572813525000000 0.000000000000000 b 2.899149390201427 5.572813525000000 0.000000000000000 c -0.861254736774764 0.000000000000000 7.767829868120251Atomic positions (fractional): *1 Li 0.55920443379484 0.95618954047496 0.63962782856388 6.941 2 Li 0.44079556620516 0.04381045952504 0.36037217143612 6.941 3 Li 0.95618954047496 0.55920443379484 0.13962782856388 6.941 4 Li 0.04381045952504 0.44079556620516 0.86037217143612 6.941 *5 F 0.88772482363405 0.11227517636595 0.75000000000000 18.998 *6 F 0.68911604141334 0.31088395858666 0.25000000000000 18.998 7 F 0.11227517636595 0.88772482363405 0.25000000000000 18.998 8 F 0.31088395858666 0.68911604141334 0.75000000000000 18.998 *9 F 0.84677305813435 0.56893451458992 0.91615793309839 18.998 10 F 0.43106548541008 0.15322694186565 0.58384206690161 18.998 11 F 0.15322694186565 0.43106548541008 0.08384206690161 18.998 12 F 0.56893451458992 0.84677305813435 0.41615793309839 18.998 *13 Rb 0.67734771829234 0.85911375183729 0.06789188861218 85.468 14 Rb 0.14088624816271 0.32265228170766 0.43210811138782 85.468 15 Rb 0.32265228170766 0.14088624816271 0.93210811138782 85.468 16 Rb 0.85911375183729 0.67734771829234 0.56789188861218 85.468-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.798298780402853 0.000000000000000 0.000000000000000 b 0.000000000000000 11.145627050000000 0.000000000000000 c -0.861254736774764 0.000000000000000 7.767829868120251Atomic positions (fractional): *1 Li 0.75769698713490 0.19849255334006 0.63962782856388 6.941 > 1 2 Li 0.74230301286510 0.30150744665994 0.36037217143612 6.941 > 2 3 Li 0.25769698713490 0.30150744665994 0.13962782856388 6.941 > 3 4 Li 0.24230301286510 0.19849255334006 0.86037217143612 6.941 > 4 5 Li 0.25769698713490 0.69849255334006 0.63962782856388 6.941 > 1 6 Li 0.24230301286510 0.80150744665994 0.36037217143612 6.941 > 2 7 Li 0.75769698713490 0.80150744665994 0.13962782856388 6.941 > 3 8 Li 0.74230301286510 0.69849255334006 0.86037217143612 6.941 > 4 *9 F 0.00000000000000 0.11227517636595 0.75000000000000 18.998 > 5 *10 F 0.00000000000000 0.31088395858666 0.25000000000000 18.998 > 6 11 F 0.50000000000000 0.38772482363405 0.25000000000000 18.998 > 7 12 F 0.50000000000000 0.18911604141334 0.75000000000000 18.998 > 8 *13 F 0.20785378636214 0.36108072822779 0.91615793309839 18.998 > 9 14 F 0.79214621363786 0.36108072822779 0.58384206690161 18.998 > 10 15 F 0.29214621363786 0.13891927177221 0.08384206690161 18.998 > 11 16 F 0.70785378636214 0.13891927177221 0.41615793309839 18.998 > 12 17 F 0.50000000000000 0.61227517636595 0.75000000000000 18.998 > 5 18 F 0.50000000000000 0.81088395858666 0.25000000000000 18.998 > 6 19 F 0.00000000000000 0.88772482363405 0.25000000000000 18.998 > 7 20 F 0.00000000000000 0.68911604141334 0.75000000000000 18.998 > 8 21 F 0.70785378636214 0.86108072822779 0.91615793309839 18.998 > 9 22 F 0.29214621363786 0.86108072822779 0.58384206690161 18.998 > 10 23 F 0.79214621363786 0.63891927177221 0.08384206690161 18.998 > 11 24 F 0.20785378636214 0.63891927177221 0.41615793309839 18.998 > 12 *25 Rb 0.76823073506481 0.09088301677247 0.06789188861218 85.468 > 13 26 Rb 0.23176926493519 0.09088301677247 0.43210811138782 85.468 > 14 27 Rb 0.73176926493519 0.40911698322753 0.93210811138782 85.468 > 15 28 Rb 0.26823073506481 0.40911698322753 0.56789188861218 85.468 > 16 29 Rb 0.26823073506481 0.59088301677247 0.06789188861218 85.468 > 13 30 Rb 0.73176926493519 0.59088301677247 0.43210811138782 85.468 > 14 31 Rb 0.23176926493519 0.90911698322753 0.93210811138782 85.468 > 15 32 Rb 0.76823073506481 0.90911698322753 0.56789188861218 85.468 > 16-------------------------------- super cell --------------------------------Lattice vectors: a 11.596597560805707 0.000000000000000 0.000000000000000 b 0.000000000000000 11.145627050000000 0.000000000000000 c -1.722509473549528 0.000000000000000 15.535659736240502Atomic positions (fractional): *1 Li 0.37884849356745 0.19849255334006 0.31981391428194 6.941 > 1 2 Li 0.87884849356745 0.19849255334006 0.31981391428194 6.941 > 1 3 Li 0.37884849356745 0.19849255334006 0.81981391428194 6.941 > 1 4 Li 0.87884849356745 0.19849255334006 0.81981391428194 6.941 > 1 5 Li 0.37115150643255 0.30150744665994 0.18018608571806 6.941 > 2 6 Li 0.87115150643255 0.30150744665994 0.18018608571806 6.941 > 2 7 Li 0.37115150643255 0.30150744665994 0.68018608571806 6.941 > 2 8 Li 0.87115150643255 0.30150744665994 0.68018608571806 6.941 > 2 9 Li 0.12884849356745 0.30150744665994 0.06981391428194 6.941 > 3 10 Li 0.62884849356745 0.30150744665994 0.06981391428194 6.941 > 3 11 Li 0.12884849356745 0.30150744665994 0.56981391428194 6.941 > 3 12 Li 0.62884849356745 0.30150744665994 0.56981391428194 6.941 > 3 13 Li 0.12115150643255 0.19849255334006 0.43018608571806 6.941 > 4 14 Li 0.62115150643255 0.19849255334006 0.43018608571806 6.941 > 4 15 Li 0.12115150643255 0.19849255334006 0.93018608571806 6.941 > 4 16 Li 0.62115150643255 0.19849255334006 0.93018608571806 6.941 > 4 17 Li 0.12884849356745 0.69849255334006 0.31981391428194 6.941 > 1 18 Li 0.62884849356745 0.69849255334006 0.31981391428194 6.941 > 1 19 Li 0.12884849356745 0.69849255334006 0.81981391428194 6.941 > 1 20 Li 0.62884849356745 0.69849255334006 0.81981391428194 6.941 > 1 21 Li 0.12115150643255 0.80150744665994 0.18018608571806 6.941 > 2 22 Li 0.62115150643255 0.80150744665994 0.18018608571806 6.941 > 2 23 Li 0.12115150643255 0.80150744665994 0.68018608571806 6.941 > 2 24 Li 0.62115150643255 0.80150744665994 0.68018608571806 6.941 > 2 25 Li 0.37884849356745 0.80150744665994 0.06981391428194 6.941 > 3 26 Li 0.87884849356745 0.80150744665994 0.06981391428194 6.941 > 3 27 Li 0.37884849356745 0.80150744665994 0.56981391428194 6.941 > 3 28 Li 0.87884849356745 0.80150744665994 0.56981391428194 6.941 > 3 29 Li 0.37115150643255 0.69849255334006 0.43018608571806 6.941 > 4 30 Li 0.87115150643255 0.69849255334006 0.43018608571806 6.941 > 4 31 Li 0.37115150643255 0.69849255334006 0.93018608571806 6.941 > 4 32 Li 0.87115150643255 0.69849255334006 0.93018608571806 6.941 > 4 *33 F 0.00000000000000 0.11227517636595 0.37500000000000 18.998 > 5 34 F 0.50000000000000 0.11227517636595 0.37500000000000 18.998 > 5 35 F 0.00000000000000 0.11227517636595 0.87500000000000 18.998 > 5 36 F 0.50000000000000 0.11227517636595 0.87500000000000 18.998 > 5 *37 F 0.00000000000000 0.31088395858666 0.12500000000000 18.998 > 6 38 F 0.50000000000000 0.31088395858666 0.12500000000000 18.998 > 6 39 F 0.00000000000000 0.31088395858666 0.62500000000000 18.998 > 6 40 F 0.50000000000000 0.31088395858666 0.62500000000000 18.998 > 6 41 F 0.25000000000000 0.38772482363405 0.12500000000000 18.998 > 7 42 F 0.75000000000000 0.38772482363405 0.12500000000000 18.998 > 7 43 F 0.25000000000000 0.38772482363405 0.62500000000000 18.998 > 7 44 F 0.75000000000000 0.38772482363405 0.62500000000000 18.998 > 7 45 F 0.25000000000000 0.18911604141334 0.37500000000000 18.998 > 8 46 F 0.75000000000000 0.18911604141334 0.37500000000000 18.998 > 8 47 F 0.25000000000000 0.18911604141334 0.87500000000000 18.998 > 8 48 F 0.75000000000000 0.18911604141334 0.87500000000000 18.998 > 8 *49 F 0.10392689318107 0.36108072822779 0.45807896654919 18.998 > 9 50 F 0.60392689318107 0.36108072822779 0.45807896654919 18.998 > 9 51 F 0.10392689318107 0.36108072822779 0.95807896654919 18.998 > 9 52 F 0.60392689318107 0.36108072822779 0.95807896654919 18.998 > 9 53 F 0.39607310681893 0.36108072822779 0.29192103345081 18.998 > 10 54 F 0.89607310681893 0.36108072822779 0.29192103345081 18.998 > 10 55 F 0.39607310681893 0.36108072822779 0.79192103345081 18.998 > 10 56 F 0.89607310681893 0.36108072822779 0.79192103345081 18.998 > 10 57 F 0.14607310681893 0.13891927177221 0.04192103345081 18.998 > 11 58 F 0.64607310681893 0.13891927177221 0.04192103345081 18.998 > 11 59 F 0.14607310681893 0.13891927177221 0.54192103345081 18.998 > 11 60 F 0.64607310681893 0.13891927177221 0.54192103345081 18.998 > 11 61 F 0.35392689318107 0.13891927177221 0.20807896654919 18.998 > 12 62 F 0.85392689318107 0.13891927177221 0.20807896654919 18.998 > 12 63 F 0.35392689318107 0.13891927177221 0.70807896654919 18.998 > 12 64 F 0.85392689318107 0.13891927177221 0.70807896654919 18.998 > 12 65 F 0.25000000000000 0.61227517636595 0.37500000000000 18.998 > 5 66 F 0.75000000000000 0.61227517636595 0.37500000000000 18.998 > 5 67 F 0.25000000000000 0.61227517636595 0.87500000000000 18.998 > 5 68 F 0.75000000000000 0.61227517636595 0.87500000000000 18.998 > 5 69 F 0.25000000000000 0.81088395858666 0.12500000000000 18.998 > 6 70 F 0.75000000000000 0.81088395858666 0.12500000000000 18.998 > 6 71 F 0.25000000000000 0.81088395858666 0.62500000000000 18.998 > 6 72 F 0.75000000000000 0.81088395858666 0.62500000000000 18.998 > 6 73 F 0.00000000000000 0.88772482363405 0.12500000000000 18.998 > 7 74 F 0.50000000000000 0.88772482363405 0.12500000000000 18.998 > 7 75 F 0.00000000000000 0.88772482363405 0.62500000000000 18.998 > 7 76 F 0.50000000000000 0.88772482363405 0.62500000000000 18.998 > 7 77 F 0.00000000000000 0.68911604141334 0.37500000000000 18.998 > 8 78 F 0.50000000000000 0.68911604141334 0.37500000000000 18.998 > 8 79 F 0.00000000000000 0.68911604141334 0.87500000000000 18.998 > 8 80 F 0.50000000000000 0.68911604141334 0.87500000000000 18.998 > 8 81 F 0.35392689318107 0.86108072822779 0.45807896654919 18.998 > 9 82 F 0.85392689318107 0.86108072822779 0.45807896654919 18.998 > 9 83 F 0.35392689318107 0.86108072822779 0.95807896654919 18.998 > 9 84 F 0.85392689318107 0.86108072822779 0.95807896654919 18.998 > 9 85 F 0.14607310681893 0.86108072822779 0.29192103345081 18.998 > 10 86 F 0.64607310681893 0.86108072822779 0.29192103345081 18.998 > 10 87 F 0.14607310681893 0.86108072822779 0.79192103345081 18.998 > 10 88 F 0.64607310681893 0.86108072822779 0.79192103345081 18.998 > 10 89 F 0.39607310681893 0.63891927177221 0.04192103345081 18.998 > 11 90 F 0.89607310681893 0.63891927177221 0.04192103345081 18.998 > 11 91 F 0.39607310681893 0.63891927177221 0.54192103345081 18.998 > 11 92 F 0.89607310681893 0.63891927177221 0.54192103345081 18.998 > 11 93 F 0.10392689318107 0.63891927177221 0.20807896654919 18.998 > 12 94 F 0.60392689318107 0.63891927177221 0.20807896654919 18.998 > 12 95 F 0.10392689318107 0.63891927177221 0.70807896654919 18.998 > 12 96 F 0.60392689318107 0.63891927177221 0.70807896654919 18.998 > 12 *97 Rb 0.38411536753241 0.09088301677247 0.03394594430609 85.468 > 13 98 Rb 0.88411536753241 0.09088301677247 0.03394594430609 85.468 > 13 99 Rb 0.38411536753241 0.09088301677247 0.53394594430609 85.468 > 13 100 Rb 0.88411536753241 0.09088301677247 0.53394594430609 85.468 > 13 101 Rb 0.11588463246759 0.09088301677247 0.21605405569391 85.468 > 14 102 Rb 0.61588463246759 0.09088301677247 0.21605405569391 85.468 > 14 103 Rb 0.11588463246759 0.09088301677247 0.71605405569391 85.468 > 14 104 Rb 0.61588463246759 0.09088301677247 0.71605405569391 85.468 > 14 105 Rb 0.36588463246759 0.40911698322753 0.46605405569391 85.468 > 15 106 Rb 0.86588463246759 0.40911698322753 0.46605405569391 85.468 > 15 107 Rb 0.36588463246759 0.40911698322753 0.96605405569391 85.468 > 15 108 Rb 0.86588463246759 0.40911698322753 0.96605405569391 85.468 > 15 109 Rb 0.13411536753241 0.40911698322753 0.28394594430609 85.468 > 16 110 Rb 0.63411536753241 0.40911698322753 0.28394594430609 85.468 > 16 111 Rb 0.13411536753241 0.40911698322753 0.78394594430609 85.468 > 16 112 Rb 0.63411536753241 0.40911698322753 0.78394594430609 85.468 > 16 113 Rb 0.13411536753241 0.59088301677247 0.03394594430609 85.468 > 13 114 Rb 0.63411536753241 0.59088301677247 0.03394594430609 85.468 > 13 115 Rb 0.13411536753241 0.59088301677247 0.53394594430609 85.468 > 13 116 Rb 0.63411536753241 0.59088301677247 0.53394594430609 85.468 > 13 117 Rb 0.36588463246759 0.59088301677247 0.21605405569391 85.468 > 14 118 Rb 0.86588463246759 0.59088301677247 0.21605405569391 85.468 > 14 119 Rb 0.36588463246759 0.59088301677247 0.71605405569391 85.468 > 14 120 Rb 0.86588463246759 0.59088301677247 0.71605405569391 85.468 > 14 121 Rb 0.11588463246759 0.90911698322753 0.46605405569391 85.468 > 15 122 Rb 0.61588463246759 0.90911698322753 0.46605405569391 85.468 > 15 123 Rb 0.11588463246759 0.90911698322753 0.96605405569391 85.468 > 15 124 Rb 0.61588463246759 0.90911698322753 0.96605405569391 85.468 > 15 125 Rb 0.38411536753241 0.90911698322753 0.28394594430609 85.468 > 16 126 Rb 0.88411536753241 0.90911698322753 0.28394594430609 85.468 > 16 127 Rb 0.38411536753241 0.90911698322753 0.78394594430609 85.468 > 16 128 Rb 0.88411536753241 0.90911698322753 0.78394594430609 85.468 > 16----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.0965064 0.0000000 0.0020242 0.0000000 2.0963484 0.0000000 0.0020244 0.0000000 2.0997812-------------------------- Born effective charges -------------------------- 1 Li 0.9291956 -0.0389465 -0.0175922 -0.0434288 0.9902459 0.0034541 -0.0122721 -0.0042177 0.9629906 2 Li 0.9291956 -0.0389465 -0.0175922 -0.0434288 0.9902459 0.0034541 -0.0122721 -0.0042177 0.9629906 3 Li 0.9291956 0.0389465 -0.0175922 0.0434288 0.9902459 -0.0034541 -0.0122721 0.0042177 0.9629906 4 Li 0.9291956 0.0389465 -0.0175922 0.0434288 0.9902459 -0.0034541 -0.0122721 0.0042177 0.9629906 5 F -1.0522739 0.0000000 -0.0338032 0.0000000 -1.0768571 0.0000000 -0.0327492 0.0000000 -1.1313357 6 F -1.1219117 0.0000000 0.0063664 0.0000000 -1.0142201 0.0000000 0.0027362 0.0000000 -1.1200063 7 F -1.0522739 0.0000000 -0.0338032 0.0000000 -1.0768571 0.0000000 -0.0327492 0.0000000 -1.1313357 8 F -1.1219117 0.0000000 0.0063664 0.0000000 -1.0142201 0.0000000 0.0027362 0.0000000 -1.1200063 9 F -1.0793872 -0.0003055 0.0358275 0.0064551 -1.1054102 -0.0171610 0.0332397 -0.0300509 -1.1024205 10 F -1.0793872 0.0003055 0.0358275 -0.0064551 -1.1054102 0.0171610 0.0332397 0.0300509 -1.1024205 11 F -1.0793872 -0.0003055 0.0358275 0.0064551 -1.1054102 -0.0171610 0.0332397 -0.0300509 -1.1024205 12 F -1.0793872 0.0003055 0.0358275 -0.0064551 -1.1054102 0.0171610 0.0332397 0.0300509 -1.1024205 13 Rb 1.2372843 -0.0350129 -0.0045168 -0.0335084 1.1607030 0.0283924 -0.0059611 0.0377498 1.2651009 14 Rb 1.2372843 0.0350129 -0.0045168 0.0335084 1.1607030 -0.0283924 -0.0059611 -0.0377498 1.2651009 15 Rb 1.2372843 -0.0350129 -0.0045168 -0.0335084 1.1607030 0.0283924 -0.0059611 0.0377498 1.2651009 16 Rb 1.2372843 0.0350129 -0.0045168 0.0335084 1.1607030 -0.0283924 -0.0059611 -0.0377498 1.2651009----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 384/384Permutation basis: 11136/11136Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2428Number of blocks in projector: 2428Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 520Use submatrix version of eigh solver.(1) Block: 520 / 520 (2) Block: 250 / 520 (2) 241 eigenvectors found. (2) Block: 520 / 520 (2) 263 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found.(1) 511 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 504Use submatrix version of eigh solver.(1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 250 eigenvectors found. (2) Complementary block size: 10 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found.(1) 498 eigenvectors found.(1) Complementary block size: 6(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 504Use submatrix version of eigh solver.(1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 250 eigenvectors found. (2) Complementary block size: 10 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found.(1) 498 eigenvectors found.(1) Complementary block size: 6(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 300Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 300Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 300Use standard eigh solver.Tree of FC basis block matrices:- (2428, 2392), data: False|-- (300, 295), data: True|-- (300, 295), data: True|-- (300, 295), data: True|-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 4), data: (504, 10) @ (10, 4) |-- (254, 250), data: True |-- (250, 244), data: True|-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 4), data: (504, 10) @ (10, 4) |-- (254, 250), data: True |-- (250, 244), data: True|-- (520, 511), data: False |-- (520, 511), data: False |-- (520, 7), data: (520, 16) @ (16, 7) |-- (270, 263), data: True |-- (250, 241), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 480 - Time: 0.889Solver_block: 200 / 480 - Time: 0.863Solver_block: 300 / 480 - Time: 0.860Solver_block: 400 / 480 - Time: 0.855Solver_block: 480 / 480 - Time: 0.694Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.262--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384Permutation basis: 11136/11136Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2428Number of blocks in projector: 2428Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 520Use submatrix version of eigh solver.(1) Block: 520 / 520 (2) Block: 250 / 520 (2) 241 eigenvectors found. (2) Block: 520 / 520 (2) 263 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found.(1) 511 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 504Use submatrix version of eigh solver.(1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 250 eigenvectors found. (2) Complementary block size: 10 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found.(1) 498 eigenvectors found.(1) Complementary block size: 6(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 504Use submatrix version of eigh solver.(1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 250 eigenvectors found. (2) Complementary block size: 10 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found.(1) 498 eigenvectors found.(1) Complementary block size: 6(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 300Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 300Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 300Use standard eigh solver.Tree of FC basis block matrices:- (2428, 2392), data: False|-- (300, 295), data: True|-- (300, 295), data: True|-- (300, 295), data: True|-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 4), data: (504, 10) @ (10, 4) |-- (254, 250), data: True |-- (250, 244), data: True|-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 4), data: (504, 10) @ (10, 4) |-- (254, 250), data: True |-- (250, 244), data: True|-- (520, 511), data: False |-- (520, 511), data: False |-- (520, 7), data: (520, 16) @ (16, 7) |-- (270, 263), data: True |-- (250, 241), data: TrueMax 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 2026-01-07 22:27:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:27:47]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/c (15)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.899149390201427 -5.572813525000000 0.000000000000000 b 2.899149390201427 5.572813525000000 0.000000000000000 c -0.861254736774764 0.000000000000000 7.767829868120251Atomic positions (fractional): 1 Li 0.55920443379484 0.95618954047496 0.63962782856388 6.941 2 Li 0.44079556620516 0.04381045952504 0.36037217143612 6.941 3 Li 0.95618954047496 0.55920443379484 0.13962782856388 6.941 4 Li 0.04381045952504 0.44079556620516 0.86037217143612 6.941 5 F 0.88772482363405 0.11227517636595 0.75000000000000 18.998 6 F 0.68911604141334 0.31088395858666 0.25000000000000 18.998 7 F 0.11227517636595 0.88772482363405 0.25000000000000 18.998 8 F 0.31088395858666 0.68911604141334 0.75000000000000 18.998 9 F 0.84677305813435 0.56893451458992 0.91615793309839 18.998 10 F 0.43106548541008 0.15322694186565 0.58384206690161 18.998 11 F 0.15322694186565 0.43106548541008 0.08384206690161 18.998 12 F 0.56893451458992 0.84677305813435 0.41615793309839 18.998 13 Rb 0.67734771829234 0.85911375183729 0.06789188861218 85.468 14 Rb 0.14088624816271 0.32265228170766 0.43210811138782 85.468 15 Rb 0.32265228170766 0.14088624816271 0.93210811138782 85.468 16 Rb 0.85911375183729 0.67734771829234 0.56789188861218 85.468-------------------------------- supercell ---------------------------------Lattice vectors: a 11.596597560805707 0.000000000000000 0.000000000000000 b 0.000000000000000 11.145627050000000 0.000000000000000 c -1.722509473549528 0.000000000000000 15.535659736240502Atomic positions (fractional): 1 Li 0.37884849356745 0.19849255334006 0.31981391428194 6.941 > 1 2 Li 0.87884849356745 0.19849255334006 0.31981391428194 6.941 > 1 3 Li 0.37884849356745 0.19849255334006 0.81981391428194 6.941 > 1 4 Li 0.87884849356745 0.19849255334006 0.81981391428194 6.941 > 1 5 Li 0.37115150643255 0.30150744665994 0.18018608571806 6.941 > 5 6 Li 0.87115150643255 0.30150744665994 0.18018608571806 6.941 > 5 7 Li 0.37115150643255 0.30150744665994 0.68018608571806 6.941 > 5 8 Li 0.87115150643255 0.30150744665994 0.68018608571806 6.941 > 5 9 Li 0.12884849356745 0.30150744665994 0.06981391428194 6.941 > 9 10 Li 0.62884849356745 0.30150744665994 0.06981391428194 6.941 > 9 11 Li 0.12884849356745 0.30150744665994 0.56981391428194 6.941 > 9 12 Li 0.62884849356745 0.30150744665994 0.56981391428194 6.941 > 9 13 Li 0.12115150643255 0.19849255334006 0.43018608571806 6.941 > 13 14 Li 0.62115150643255 0.19849255334006 0.43018608571806 6.941 > 13 15 Li 0.12115150643255 0.19849255334006 0.93018608571806 6.941 > 13 16 Li 0.62115150643255 0.19849255334006 0.93018608571806 6.941 > 13 17 Li 0.12884849356745 0.69849255334006 0.31981391428194 6.941 > 1 18 Li 0.62884849356745 0.69849255334006 0.31981391428194 6.941 > 1 19 Li 0.12884849356745 0.69849255334006 0.81981391428194 6.941 > 1 20 Li 0.62884849356745 0.69849255334006 0.81981391428194 6.941 > 1 21 Li 0.12115150643255 0.80150744665994 0.18018608571806 6.941 > 5 22 Li 0.62115150643255 0.80150744665994 0.18018608571806 6.941 > 5 23 Li 0.12115150643255 0.80150744665994 0.68018608571806 6.941 > 5 24 Li 0.62115150643255 0.80150744665994 0.68018608571806 6.941 > 5 25 Li 0.37884849356745 0.80150744665994 0.06981391428194 6.941 > 9 26 Li 0.87884849356745 0.80150744665994 0.06981391428194 6.941 > 9 27 Li 0.37884849356745 0.80150744665994 0.56981391428194 6.941 > 9 28 Li 0.87884849356745 0.80150744665994 0.56981391428194 6.941 > 9 29 Li 0.37115150643255 0.69849255334006 0.43018608571806 6.941 > 13 30 Li 0.87115150643255 0.69849255334006 0.43018608571806 6.941 > 13 31 Li 0.37115150643255 0.69849255334006 0.93018608571806 6.941 > 13 32 Li 0.87115150643255 0.69849255334006 0.93018608571806 6.941 > 13 33 F 0.00000000000000 0.11227517636595 0.37500000000000 18.998 > 33 34 F 0.50000000000000 0.11227517636595 0.37500000000000 18.998 > 33 35 F 0.00000000000000 0.11227517636595 0.87500000000000 18.998 > 33 36 F 0.50000000000000 0.11227517636595 0.87500000000000 18.998 > 33 37 F 0.00000000000000 0.31088395858666 0.12500000000000 18.998 > 37 38 F 0.50000000000000 0.31088395858666 0.12500000000000 18.998 > 37 39 F 0.00000000000000 0.31088395858666 0.62500000000000 18.998 > 37 40 F 0.50000000000000 0.31088395858666 0.62500000000000 18.998 > 37 41 F 0.25000000000000 0.38772482363405 0.12500000000000 18.998 > 41 42 F 0.75000000000000 0.38772482363405 0.12500000000000 18.998 > 41 43 F 0.25000000000000 0.38772482363405 0.62500000000000 18.998 > 41 44 F 0.75000000000000 0.38772482363405 0.62500000000000 18.998 > 41 45 F 0.25000000000000 0.18911604141334 0.37500000000000 18.998 > 45 46 F 0.75000000000000 0.18911604141334 0.37500000000000 18.998 > 45 47 F 0.25000000000000 0.18911604141334 0.87500000000000 18.998 > 45 48 F 0.75000000000000 0.18911604141334 0.87500000000000 18.998 > 45 49 F 0.10392689318107 0.36108072822779 0.45807896654919 18.998 > 49 50 F 0.60392689318107 0.36108072822779 0.45807896654919 18.998 > 49 51 F 0.10392689318107 0.36108072822779 0.95807896654919 18.998 > 49 52 F 0.60392689318107 0.36108072822779 0.95807896654919 18.998 > 49 53 F 0.39607310681893 0.36108072822779 0.29192103345081 18.998 > 53 54 F 0.89607310681893 0.36108072822779 0.29192103345081 18.998 > 53 55 F 0.39607310681893 0.36108072822779 0.79192103345081 18.998 > 53 56 F 0.89607310681893 0.36108072822779 0.79192103345081 18.998 > 53 57 F 0.14607310681893 0.13891927177221 0.04192103345081 18.998 > 57 58 F 0.64607310681893 0.13891927177221 0.04192103345081 18.998 > 57 59 F 0.14607310681893 0.13891927177221 0.54192103345081 18.998 > 57 60 F 0.64607310681893 0.13891927177221 0.54192103345081 18.998 > 57 61 F 0.35392689318107 0.13891927177221 0.20807896654919 18.998 > 61 62 F 0.85392689318107 0.13891927177221 0.20807896654919 18.998 > 61 63 F 0.35392689318107 0.13891927177221 0.70807896654919 18.998 > 61 64 F 0.85392689318107 0.13891927177221 0.70807896654919 18.998 > 61 65 F 0.25000000000000 0.61227517636595 0.37500000000000 18.998 > 33 66 F 0.75000000000000 0.61227517636595 0.37500000000000 18.998 > 33 67 F 0.25000000000000 0.61227517636595 0.87500000000000 18.998 > 33 68 F 0.75000000000000 0.61227517636595 0.87500000000000 18.998 > 33 69 F 0.25000000000000 0.81088395858666 0.12500000000000 18.998 > 37 70 F 0.75000000000000 0.81088395858666 0.12500000000000 18.998 > 37 71 F 0.25000000000000 0.81088395858666 0.62500000000000 18.998 > 37 72 F 0.75000000000000 0.81088395858666 0.62500000000000 18.998 > 37 73 F 0.00000000000000 0.88772482363405 0.12500000000000 18.998 > 41 74 F 0.50000000000000 0.88772482363405 0.12500000000000 18.998 > 41 75 F 0.00000000000000 0.88772482363405 0.62500000000000 18.998 > 41 76 F 0.50000000000000 0.88772482363405 0.62500000000000 18.998 > 41 77 F 0.00000000000000 0.68911604141334 0.37500000000000 18.998 > 45 78 F 0.50000000000000 0.68911604141334 0.37500000000000 18.998 > 45 79 F 0.00000000000000 0.68911604141334 0.87500000000000 18.998 > 45 80 F 0.50000000000000 0.68911604141334 0.87500000000000 18.998 > 45 81 F 0.35392689318107 0.86108072822779 0.45807896654919 18.998 > 49 82 F 0.85392689318107 0.86108072822779 0.45807896654919 18.998 > 49 83 F 0.35392689318107 0.86108072822779 0.95807896654919 18.998 > 49 84 F 0.85392689318107 0.86108072822779 0.95807896654919 18.998 > 49 85 F 0.14607310681893 0.86108072822779 0.29192103345081 18.998 > 53 86 F 0.64607310681893 0.86108072822779 0.29192103345081 18.998 > 53 87 F 0.14607310681893 0.86108072822779 0.79192103345081 18.998 > 53 88 F 0.64607310681893 0.86108072822779 0.79192103345081 18.998 > 53 89 F 0.39607310681893 0.63891927177221 0.04192103345081 18.998 > 57 90 F 0.89607310681893 0.63891927177221 0.04192103345081 18.998 > 57 91 F 0.39607310681893 0.63891927177221 0.54192103345081 18.998 > 57 92 F 0.89607310681893 0.63891927177221 0.54192103345081 18.998 > 57 93 F 0.10392689318107 0.63891927177221 0.20807896654919 18.998 > 61 94 F 0.60392689318107 0.63891927177221 0.20807896654919 18.998 > 61 95 F 0.10392689318107 0.63891927177221 0.70807896654919 18.998 > 61 96 F 0.60392689318107 0.63891927177221 0.70807896654919 18.998 > 61 97 Rb 0.38411536753241 0.09088301677247 0.03394594430609 85.468 > 97 98 Rb 0.88411536753241 0.09088301677247 0.03394594430609 85.468 > 97 99 Rb 0.38411536753241 0.09088301677247 0.53394594430609 85.468 > 97 100 Rb 0.88411536753241 0.09088301677247 0.53394594430609 85.468 > 97 101 Rb 0.11588463246759 0.09088301677247 0.21605405569391 85.468 > 101 102 Rb 0.61588463246759 0.09088301677247 0.21605405569391 85.468 > 101 103 Rb 0.11588463246759 0.09088301677247 0.71605405569391 85.468 > 101 104 Rb 0.61588463246759 0.09088301677247 0.71605405569391 85.468 > 101 105 Rb 0.36588463246759 0.40911698322753 0.46605405569391 85.468 > 105 106 Rb 0.86588463246759 0.40911698322753 0.46605405569391 85.468 > 105 107 Rb 0.36588463246759 0.40911698322753 0.96605405569391 85.468 > 105 108 Rb 0.86588463246759 0.40911698322753 0.96605405569391 85.468 > 105 109 Rb 0.13411536753241 0.40911698322753 0.28394594430609 85.468 > 109 110 Rb 0.63411536753241 0.40911698322753 0.28394594430609 85.468 > 109 111 Rb 0.13411536753241 0.40911698322753 0.78394594430609 85.468 > 109 112 Rb 0.63411536753241 0.40911698322753 0.78394594430609 85.468 > 109 113 Rb 0.13411536753241 0.59088301677247 0.03394594430609 85.468 > 97 114 Rb 0.63411536753241 0.59088301677247 0.03394594430609 85.468 > 97 115 Rb 0.13411536753241 0.59088301677247 0.53394594430609 85.468 > 97 116 Rb 0.63411536753241 0.59088301677247 0.53394594430609 85.468 > 97 117 Rb 0.36588463246759 0.59088301677247 0.21605405569391 85.468 > 101 118 Rb 0.86588463246759 0.59088301677247 0.21605405569391 85.468 > 101 119 Rb 0.36588463246759 0.59088301677247 0.71605405569391 85.468 > 101 120 Rb 0.86588463246759 0.59088301677247 0.71605405569391 85.468 > 101 121 Rb 0.11588463246759 0.90911698322753 0.46605405569391 85.468 > 105 122 Rb 0.61588463246759 0.90911698322753 0.46605405569391 85.468 > 105 123 Rb 0.11588463246759 0.90911698322753 0.96605405569391 85.468 > 105 124 Rb 0.61588463246759 0.90911698322753 0.96605405569391 85.468 > 105 125 Rb 0.38411536753241 0.90911698322753 0.28394594430609 85.468 > 109 126 Rb 0.88411536753241 0.90911698322753 0.28394594430609 85.468 > 109 127 Rb 0.38411536753241 0.90911698322753 0.78394594430609 85.468 > 109 128 Rb 0.88411536753241 0.90911698322753 0.78394594430609 85.468 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.0965064 0.0000000 0.0020242 0.0000000 2.0963484 0.0000000 0.0020244 0.0000000 2.0997812-------------------------- Born effective charges -------------------------- 1 Li 0.9291956 -0.0389465 -0.0175922 -0.0434288 0.9902459 0.0034541 -0.0122721 -0.0042177 0.9629906 2 Li 0.9291956 -0.0389465 -0.0175922 -0.0434288 0.9902459 0.0034541 -0.0122721 -0.0042177 0.9629906 3 Li 0.9291956 0.0389465 -0.0175922 0.0434288 0.9902459 -0.0034541 -0.0122721 0.0042177 0.9629906 4 Li 0.9291956 0.0389465 -0.0175922 0.0434288 0.9902459 -0.0034541 -0.0122721 0.0042177 0.9629906 5 F -1.0522739 0.0000000 -0.0338032 0.0000000 -1.0768571 0.0000000 -0.0327492 0.0000000 -1.1313357 6 F -1.1219117 0.0000000 0.0063664 0.0000000 -1.0142201 0.0000000 0.0027362 0.0000000 -1.1200063 7 F -1.0522739 0.0000000 -0.0338032 0.0000000 -1.0768571 0.0000000 -0.0327492 0.0000000 -1.1313357 8 F -1.1219117 0.0000000 0.0063664 0.0000000 -1.0142201 0.0000000 0.0027362 0.0000000 -1.1200063 9 F -1.0793872 -0.0003055 0.0358275 0.0064551 -1.1054102 -0.0171610 0.0332397 -0.0300509 -1.1024205 10 F -1.0793872 0.0003055 0.0358275 -0.0064551 -1.1054102 0.0171610 0.0332397 0.0300509 -1.1024205 11 F -1.0793872 -0.0003055 0.0358275 0.0064551 -1.1054102 -0.0171610 0.0332397 -0.0300509 -1.1024205 12 F -1.0793872 0.0003055 0.0358275 -0.0064551 -1.1054102 0.0171610 0.0332397 0.0300509 -1.1024205 13 Rb 1.2372843 -0.0350129 -0.0045168 -0.0335084 1.1607030 0.0283924 -0.0059611 0.0377498 1.2651009 14 Rb 1.2372843 0.0350129 -0.0045168 0.0335084 1.1607030 -0.0283924 -0.0059611 -0.0377498 1.2651009 15 Rb 1.2372843 -0.0350129 -0.0045168 -0.0335084 1.1607030 0.0283924 -0.0059611 0.0377498 1.2651009 16 Rb 1.2372843 0.0350129 -0.0045168 0.0335084 1.1607030 -0.0283924 -0.0059611 -0.0377498 1.2651009----------------------------------------------------------------------------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] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099]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] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099]Computing fc3[ 37, 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] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099]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] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:28:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:28:12]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/c (15)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.899149390201427 -5.572813525000000 0.000000000000000 b 2.899149390201427 5.572813525000000 0.000000000000000 c -0.861254736774764 0.000000000000000 7.767829868120251Atomic positions (fractional): 1 Li 0.55920443379484 0.95618954047496 0.63962782856388 6.941 2 Li 0.44079556620516 0.04381045952504 0.36037217143612 6.941 3 Li 0.95618954047496 0.55920443379484 0.13962782856388 6.941 4 Li 0.04381045952504 0.44079556620516 0.86037217143612 6.941 5 F 0.88772482363405 0.11227517636595 0.75000000000000 18.998 6 F 0.68911604141334 0.31088395858666 0.25000000000000 18.998 7 F 0.11227517636595 0.88772482363405 0.25000000000000 18.998 8 F 0.31088395858666 0.68911604141334 0.75000000000000 18.998 9 F 0.84677305813435 0.56893451458992 0.91615793309839 18.998 10 F 0.43106548541008 0.15322694186565 0.58384206690161 18.998 11 F 0.15322694186565 0.43106548541008 0.08384206690161 18.998 12 F 0.56893451458992 0.84677305813435 0.41615793309839 18.998 13 Rb 0.67734771829234 0.85911375183729 0.06789188861218 85.468 14 Rb 0.14088624816271 0.32265228170766 0.43210811138782 85.468 15 Rb 0.32265228170766 0.14088624816271 0.93210811138782 85.468 16 Rb 0.85911375183729 0.67734771829234 0.56789188861218 85.468-------------------------------- supercell ---------------------------------Lattice vectors: a 11.596597560805707 0.000000000000000 0.000000000000000 b 0.000000000000000 11.145627050000000 0.000000000000000 c -1.722509473549528 0.000000000000000 15.535659736240502Atomic positions (fractional): 1 Li 0.37884849356745 0.19849255334006 0.31981391428194 6.941 > 1 2 Li 0.87884849356745 0.19849255334006 0.31981391428194 6.941 > 1 3 Li 0.37884849356745 0.19849255334006 0.81981391428194 6.941 > 1 4 Li 0.87884849356745 0.19849255334006 0.81981391428194 6.941 > 1 5 Li 0.37115150643255 0.30150744665994 0.18018608571806 6.941 > 5 6 Li 0.87115150643255 0.30150744665994 0.18018608571806 6.941 > 5 7 Li 0.37115150643255 0.30150744665994 0.68018608571806 6.941 > 5 8 Li 0.87115150643255 0.30150744665994 0.68018608571806 6.941 > 5 9 Li 0.12884849356745 0.30150744665994 0.06981391428194 6.941 > 9 10 Li 0.62884849356745 0.30150744665994 0.06981391428194 6.941 > 9 11 Li 0.12884849356745 0.30150744665994 0.56981391428194 6.941 > 9 12 Li 0.62884849356745 0.30150744665994 0.56981391428194 6.941 > 9 13 Li 0.12115150643255 0.19849255334006 0.43018608571806 6.941 > 13 14 Li 0.62115150643255 0.19849255334006 0.43018608571806 6.941 > 13 15 Li 0.12115150643255 0.19849255334006 0.93018608571806 6.941 > 13 16 Li 0.62115150643255 0.19849255334006 0.93018608571806 6.941 > 13 17 Li 0.12884849356745 0.69849255334006 0.31981391428194 6.941 > 1 18 Li 0.62884849356745 0.69849255334006 0.31981391428194 6.941 > 1 19 Li 0.12884849356745 0.69849255334006 0.81981391428194 6.941 > 1 20 Li 0.62884849356745 0.69849255334006 0.81981391428194 6.941 > 1 21 Li 0.12115150643255 0.80150744665994 0.18018608571806 6.941 > 5 22 Li 0.62115150643255 0.80150744665994 0.18018608571806 6.941 > 5 23 Li 0.12115150643255 0.80150744665994 0.68018608571806 6.941 > 5 24 Li 0.62115150643255 0.80150744665994 0.68018608571806 6.941 > 5 25 Li 0.37884849356745 0.80150744665994 0.06981391428194 6.941 > 9 26 Li 0.87884849356745 0.80150744665994 0.06981391428194 6.941 > 9 27 Li 0.37884849356745 0.80150744665994 0.56981391428194 6.941 > 9 28 Li 0.87884849356745 0.80150744665994 0.56981391428194 6.941 > 9 29 Li 0.37115150643255 0.69849255334006 0.43018608571806 6.941 > 13 30 Li 0.87115150643255 0.69849255334006 0.43018608571806 6.941 > 13 31 Li 0.37115150643255 0.69849255334006 0.93018608571806 6.941 > 13 32 Li 0.87115150643255 0.69849255334006 0.93018608571806 6.941 > 13 33 F 0.00000000000000 0.11227517636595 0.37500000000000 18.998 > 33 34 F 0.50000000000000 0.11227517636595 0.37500000000000 18.998 > 33 35 F 0.00000000000000 0.11227517636595 0.87500000000000 18.998 > 33 36 F 0.50000000000000 0.11227517636595 0.87500000000000 18.998 > 33 37 F 0.00000000000000 0.31088395858666 0.12500000000000 18.998 > 37 38 F 0.50000000000000 0.31088395858666 0.12500000000000 18.998 > 37 39 F 0.00000000000000 0.31088395858666 0.62500000000000 18.998 > 37 40 F 0.50000000000000 0.31088395858666 0.62500000000000 18.998 > 37 41 F 0.25000000000000 0.38772482363405 0.12500000000000 18.998 > 41 42 F 0.75000000000000 0.38772482363405 0.12500000000000 18.998 > 41 43 F 0.25000000000000 0.38772482363405 0.62500000000000 18.998 > 41 44 F 0.75000000000000 0.38772482363405 0.62500000000000 18.998 > 41 45 F 0.25000000000000 0.18911604141334 0.37500000000000 18.998 > 45 46 F 0.75000000000000 0.18911604141334 0.37500000000000 18.998 > 45 47 F 0.25000000000000 0.18911604141334 0.87500000000000 18.998 > 45 48 F 0.75000000000000 0.18911604141334 0.87500000000000 18.998 > 45 49 F 0.10392689318107 0.36108072822779 0.45807896654919 18.998 > 49 50 F 0.60392689318107 0.36108072822779 0.45807896654919 18.998 > 49 51 F 0.10392689318107 0.36108072822779 0.95807896654919 18.998 > 49 52 F 0.60392689318107 0.36108072822779 0.95807896654919 18.998 > 49 53 F 0.39607310681893 0.36108072822779 0.29192103345081 18.998 > 53 54 F 0.89607310681893 0.36108072822779 0.29192103345081 18.998 > 53 55 F 0.39607310681893 0.36108072822779 0.79192103345081 18.998 > 53 56 F 0.89607310681893 0.36108072822779 0.79192103345081 18.998 > 53 57 F 0.14607310681893 0.13891927177221 0.04192103345081 18.998 > 57 58 F 0.64607310681893 0.13891927177221 0.04192103345081 18.998 > 57 59 F 0.14607310681893 0.13891927177221 0.54192103345081 18.998 > 57 60 F 0.64607310681893 0.13891927177221 0.54192103345081 18.998 > 57 61 F 0.35392689318107 0.13891927177221 0.20807896654919 18.998 > 61 62 F 0.85392689318107 0.13891927177221 0.20807896654919 18.998 > 61 63 F 0.35392689318107 0.13891927177221 0.70807896654919 18.998 > 61 64 F 0.85392689318107 0.13891927177221 0.70807896654919 18.998 > 61 65 F 0.25000000000000 0.61227517636595 0.37500000000000 18.998 > 33 66 F 0.75000000000000 0.61227517636595 0.37500000000000 18.998 > 33 67 F 0.25000000000000 0.61227517636595 0.87500000000000 18.998 > 33 68 F 0.75000000000000 0.61227517636595 0.87500000000000 18.998 > 33 69 F 0.25000000000000 0.81088395858666 0.12500000000000 18.998 > 37 70 F 0.75000000000000 0.81088395858666 0.12500000000000 18.998 > 37 71 F 0.25000000000000 0.81088395858666 0.62500000000000 18.998 > 37 72 F 0.75000000000000 0.81088395858666 0.62500000000000 18.998 > 37 73 F 0.00000000000000 0.88772482363405 0.12500000000000 18.998 > 41 74 F 0.50000000000000 0.88772482363405 0.12500000000000 18.998 > 41 75 F 0.00000000000000 0.88772482363405 0.62500000000000 18.998 > 41 76 F 0.50000000000000 0.88772482363405 0.62500000000000 18.998 > 41 77 F 0.00000000000000 0.68911604141334 0.37500000000000 18.998 > 45 78 F 0.50000000000000 0.68911604141334 0.37500000000000 18.998 > 45 79 F 0.00000000000000 0.68911604141334 0.87500000000000 18.998 > 45 80 F 0.50000000000000 0.68911604141334 0.87500000000000 18.998 > 45 81 F 0.35392689318107 0.86108072822779 0.45807896654919 18.998 > 49 82 F 0.85392689318107 0.86108072822779 0.45807896654919 18.998 > 49 83 F 0.35392689318107 0.86108072822779 0.95807896654919 18.998 > 49 84 F 0.85392689318107 0.86108072822779 0.95807896654919 18.998 > 49 85 F 0.14607310681893 0.86108072822779 0.29192103345081 18.998 > 53 86 F 0.64607310681893 0.86108072822779 0.29192103345081 18.998 > 53 87 F 0.14607310681893 0.86108072822779 0.79192103345081 18.998 > 53 88 F 0.64607310681893 0.86108072822779 0.79192103345081 18.998 > 53 89 F 0.39607310681893 0.63891927177221 0.04192103345081 18.998 > 57 90 F 0.89607310681893 0.63891927177221 0.04192103345081 18.998 > 57 91 F 0.39607310681893 0.63891927177221 0.54192103345081 18.998 > 57 92 F 0.89607310681893 0.63891927177221 0.54192103345081 18.998 > 57 93 F 0.10392689318107 0.63891927177221 0.20807896654919 18.998 > 61 94 F 0.60392689318107 0.63891927177221 0.20807896654919 18.998 > 61 95 F 0.10392689318107 0.63891927177221 0.70807896654919 18.998 > 61 96 F 0.60392689318107 0.63891927177221 0.70807896654919 18.998 > 61 97 Rb 0.38411536753241 0.09088301677247 0.03394594430609 85.468 > 97 98 Rb 0.88411536753241 0.09088301677247 0.03394594430609 85.468 > 97 99 Rb 0.38411536753241 0.09088301677247 0.53394594430609 85.468 > 97 100 Rb 0.88411536753241 0.09088301677247 0.53394594430609 85.468 > 97 101 Rb 0.11588463246759 0.09088301677247 0.21605405569391 85.468 > 101 102 Rb 0.61588463246759 0.09088301677247 0.21605405569391 85.468 > 101 103 Rb 0.11588463246759 0.09088301677247 0.71605405569391 85.468 > 101 104 Rb 0.61588463246759 0.09088301677247 0.71605405569391 85.468 > 101 105 Rb 0.36588463246759 0.40911698322753 0.46605405569391 85.468 > 105 106 Rb 0.86588463246759 0.40911698322753 0.46605405569391 85.468 > 105 107 Rb 0.36588463246759 0.40911698322753 0.96605405569391 85.468 > 105 108 Rb 0.86588463246759 0.40911698322753 0.96605405569391 85.468 > 105 109 Rb 0.13411536753241 0.40911698322753 0.28394594430609 85.468 > 109 110 Rb 0.63411536753241 0.40911698322753 0.28394594430609 85.468 > 109 111 Rb 0.13411536753241 0.40911698322753 0.78394594430609 85.468 > 109 112 Rb 0.63411536753241 0.40911698322753 0.78394594430609 85.468 > 109 113 Rb 0.13411536753241 0.59088301677247 0.03394594430609 85.468 > 97 114 Rb 0.63411536753241 0.59088301677247 0.03394594430609 85.468 > 97 115 Rb 0.13411536753241 0.59088301677247 0.53394594430609 85.468 > 97 116 Rb 0.63411536753241 0.59088301677247 0.53394594430609 85.468 > 97 117 Rb 0.36588463246759 0.59088301677247 0.21605405569391 85.468 > 101 118 Rb 0.86588463246759 0.59088301677247 0.21605405569391 85.468 > 101 119 Rb 0.36588463246759 0.59088301677247 0.71605405569391 85.468 > 101 120 Rb 0.86588463246759 0.59088301677247 0.71605405569391 85.468 > 101 121 Rb 0.11588463246759 0.90911698322753 0.46605405569391 85.468 > 105 122 Rb 0.61588463246759 0.90911698322753 0.46605405569391 85.468 > 105 123 Rb 0.11588463246759 0.90911698322753 0.96605405569391 85.468 > 105 124 Rb 0.61588463246759 0.90911698322753 0.96605405569391 85.468 > 105 125 Rb 0.38411536753241 0.90911698322753 0.28394594430609 85.468 > 109 126 Rb 0.88411536753241 0.90911698322753 0.28394594430609 85.468 > 109 127 Rb 0.38411536753241 0.90911698322753 0.78394594430609 85.468 > 109 128 Rb 0.88411536753241 0.90911698322753 0.78394594430609 85.468 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.0965064 0.0000000 0.0020242 0.0000000 2.0963484 0.0000000 0.0020244 0.0000000 2.0997812-------------------------- Born effective charges -------------------------- 1 Li 0.9291956 -0.0389465 -0.0175922 -0.0434288 0.9902459 0.0034541 -0.0122721 -0.0042177 0.9629906 2 Li 0.9291956 -0.0389465 -0.0175922 -0.0434288 0.9902459 0.0034541 -0.0122721 -0.0042177 0.9629906 3 Li 0.9291956 0.0389465 -0.0175922 0.0434288 0.9902459 -0.0034541 -0.0122721 0.0042177 0.9629906 4 Li 0.9291956 0.0389465 -0.0175922 0.0434288 0.9902459 -0.0034541 -0.0122721 0.0042177 0.9629906 5 F -1.0522739 0.0000000 -0.0338032 0.0000000 -1.0768571 0.0000000 -0.0327492 0.0000000 -1.1313357 6 F -1.1219117 0.0000000 0.0063664 0.0000000 -1.0142201 0.0000000 0.0027362 0.0000000 -1.1200063 7 F -1.0522739 0.0000000 -0.0338032 0.0000000 -1.0768571 0.0000000 -0.0327492 0.0000000 -1.1313357 8 F -1.1219117 0.0000000 0.0063664 0.0000000 -1.0142201 0.0000000 0.0027362 0.0000000 -1.1200063 9 F -1.0793872 -0.0003055 0.0358275 0.0064551 -1.1054102 -0.0171610 0.0332397 -0.0300509 -1.1024205 10 F -1.0793872 0.0003055 0.0358275 -0.0064551 -1.1054102 0.0171610 0.0332397 0.0300509 -1.1024205 11 F -1.0793872 -0.0003055 0.0358275 0.0064551 -1.1054102 -0.0171610 0.0332397 -0.0300509 -1.1024205 12 F -1.0793872 0.0003055 0.0358275 -0.0064551 -1.1054102 0.0171610 0.0332397 0.0300509 -1.1024205 13 Rb 1.2372843 -0.0350129 -0.0045168 -0.0335084 1.1607030 0.0283924 -0.0059611 0.0377498 1.2651009 14 Rb 1.2372843 0.0350129 -0.0045168 0.0335084 1.1607030 -0.0283924 -0.0059611 -0.0377498 1.2651009 15 Rb 1.2372843 -0.0350129 -0.0045168 -0.0335084 1.1607030 0.0283924 -0.0059611 0.0377498 1.2651009 16 Rb 1.2372843 0.0350129 -0.0045168 0.0335084 1.1607030 -0.0283924 -0.0059611 -0.0377498 1.2651009----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 10 10 6 ]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: 0.66, Number of G-points: 291, Lambda: 0.10Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/172) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 1.777 ( 0.000 0.000 0.000) 0.000 1.872 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.266 ( 0.000 0.000 0.000) 0.000 2.341 ( 0.000 0.000 0.000) 0.000 2.355 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 0.000) 0.000 3.092 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.341 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.764 ( 0.000 0.000 0.000) 0.000 5.892 ( 0.000 0.000 0.000) 0.000 6.077 ( 0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 7.448 ( 0.000 0.000 0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 7.624 ( 0.000 0.000 0.000) 0.000 7.723 ( 0.000 0.000 0.000) 0.000 8.271 ( 0.000 0.000 0.000) 0.000 9.397 ( 0.000 0.000 0.000) 0.000 10.516 ( 0.000 0.000 0.000) 0.000 10.576 ( 0.000 0.000 0.000) 0.000 12.585 ( 0.000 0.000 0.000) 0.000 12.854 ( 0.000 0.000 0.000) 0.000 14.316 ( 0.000 0.000 0.000) 0.000 14.670 ( 0.000 0.000 0.000) 0.000 14.719 ( 0.000 0.000 0.000) 0.000 15.552 ( 0.000 0.000 0.000) 0.000 15.646 ( 0.000 0.000 0.000) 0.000 16.102 ( 0.000 0.000 0.000) 0.000 16.621 ( 0.000 0.000 0.000) 0.000 16.967 ( 0.000 0.000 0.000) 0.000 17.181 ( 0.000 0.000 0.000) 0.000 18.282 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/172) =======================q-point: ( 0.10 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.395 ( 15.138 -14.544 -0.481) 20.998 0.463 ( 18.413 -14.074 4.781) 23.664 0.787 ( 38.443 -8.979 0.294) 39.478 1.793 ( 0.305 -2.964 0.687) 3.058 1.825 ( -4.840 -1.723 -0.212) 5.142 2.228 ( 5.847 0.467 2.824) 6.510 2.246 ( -2.538 2.025 0.343) 3.265 2.279 ( 2.253 0.489 -0.928) 2.485 2.321 ( -2.770 0.543 2.476) 3.755 2.379 ( 11.127 -1.472 -2.372) 11.472 2.648 ( 3.658 3.781 4.730) 7.074 2.867 ( -7.067 -1.280 2.688) 7.669 2.938 ( -0.779 6.625 -1.153) 6.770 3.073 ( -0.791 0.237 -3.611) 3.704 3.128 ( 1.164 2.519 -0.270) 2.789 3.262 ( 0.932 -4.040 0.506) 4.177 3.491 ( -0.246 0.109 14.250) 14.252 3.921 ( -1.457 1.008 0.723) 1.914 3.999 ( 5.181 6.530 5.152) 9.799 4.333 ( -2.707 -5.224 -4.870) 7.637 4.805 ( 4.880 6.124 -2.158) 8.122 4.933 ( 3.787 -6.019 -3.082) 7.751 5.041 ( 4.558 -7.128 -8.062) 11.687 5.552 ( -14.798 -0.009 2.833) 15.067 5.782 ( 1.942 0.682 1.930) 2.822 5.939 ( -4.086 -0.064 6.813) 7.945 6.187 ( 12.530 0.891 -11.215) 16.840 6.322 ( -2.097 1.252 6.130) 6.598 7.376 ( -6.018 2.683 -7.629) 10.080 7.508 ( -4.177 0.358 -10.988) 11.761 7.880 ( 11.456 4.635 14.890) 19.350 7.994 ( 10.387 8.215 0.858) 13.271 8.251 ( -2.148 -1.403 -5.083) 5.694 9.403 ( 0.814 0.219 0.747) 1.126 10.468 ( -5.144 0.628 -0.288) 5.190 10.537 ( -7.508 1.253 -8.547) 11.445 12.586 ( -0.012 -0.040 1.299) 1.299 12.843 ( -0.595 0.622 -2.197) 2.360 14.423 ( 5.279 6.683 7.973) 11.666 14.684 ( 0.412 1.805 5.083) 5.409 15.171 ( -28.002 -42.986 43.997) 67.585 15.481 ( -6.753 0.507 -3.535) 7.639 15.711 ( 6.443 -1.444 -1.482) 6.767 16.129 ( 2.339 0.224 2.944) 3.767 16.703 ( 4.481 -4.114 -0.339) 6.092 17.196 ( 1.007 -1.472 -0.844) 1.973 18.246 ( -3.789 1.125 2.680) 4.775 18.405 ( 13.336 23.061 -44.100) 51.522======================= Grid point 2 (3/172) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.777 ( 14.088 -14.401 -1.071) 20.174 0.896 ( 16.775 -12.886 2.472) 21.297 1.427 ( 24.707 -6.258 2.478) 25.607 1.775 ( -2.178 -2.024 -1.082) 3.164 1.853 ( 2.615 -5.127 1.068) 5.853 2.117 ( -8.065 3.060 2.235) 8.911 2.263 ( -2.977 -0.218 2.920) 4.176 2.307 ( 3.643 1.255 3.648) 5.307 2.331 ( 3.924 0.869 -0.360) 4.035 2.675 ( 1.566 1.209 1.078) 2.253 2.693 ( 19.373 -0.288 -4.681) 19.933 2.725 ( -8.643 2.011 1.769) 9.048 2.876 ( 3.644 7.231 -0.788) 8.136 3.026 ( -2.572 1.541 -4.252) 5.203 3.181 ( 6.005 0.475 -1.447) 6.195 3.295 ( -0.490 -1.729 1.587) 2.398 3.520 ( 1.965 2.539 10.707) 11.178 3.854 ( -4.226 0.447 1.486) 4.502 4.083 ( 6.533 2.611 1.222) 7.141 4.358 ( 0.664 -7.813 -0.491) 7.856 4.833 ( 5.476 5.613 -3.969) 8.789 5.019 ( 0.807 -2.417 -1.082) 2.768 5.197 ( 6.355 0.345 4.587) 7.846 5.376 ( -1.333 0.533 -6.415) 6.574 5.778 ( -3.849 3.157 4.188) 6.505 5.878 ( -0.990 -1.009 5.245) 5.433 6.270 ( -3.091 1.388 4.795) 5.872 6.331 ( 6.150 1.637 -11.557) 13.193 7.201 ( -7.538 3.856 -10.567) 13.541 7.464 ( 0.597 0.958 -4.024) 4.179 8.035 ( 7.400 1.394 6.739) 10.106 8.096 ( -0.425 -3.507 4.305) 5.568 8.261 ( 7.797 0.891 -4.664) 9.129 9.424 ( 1.504 0.243 1.573) 2.190 10.304 ( -14.327 0.974 -2.198) 14.527 10.351 ( -10.110 -0.427 -0.013) 10.119 12.593 ( 0.397 -0.125 2.457) 2.492 12.815 ( -1.102 0.937 -3.799) 4.065 14.487 ( 5.293 2.806 6.626) 8.933 14.687 ( 0.035 0.310 4.796) 4.806 15.147 ( -14.722 -19.822 17.424) 30.220 15.337 ( -8.592 -2.184 -5.904) 10.651 15.864 ( 9.566 -1.531 -3.842) 10.422 16.176 ( 2.416 0.545 5.585) 6.109 16.851 ( 9.378 -1.536 -1.841) 9.680 17.238 ( 2.096 -2.498 -1.701) 3.678 18.148 ( -6.591 1.865 4.755) 8.338 18.317 ( 3.324 14.454 -20.282) 25.126======================= Grid point 3 (4/172) =======================q-point: ( 0.30 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( 12.064 -13.663 -1.708) 18.307 1.271 ( 13.999 -10.572 -0.962) 17.569 1.655 ( 1.710 0.990 1.474) 2.465 1.815 ( 1.884 -4.830 1.205) 5.322 1.936 ( -6.289 1.017 4.025) 7.536 2.008 ( 2.384 -5.025 1.979) 5.904 2.244 ( 1.702 2.297 3.232) 4.315 2.325 ( 0.210 3.078 -0.103) 3.086 2.386 ( 1.557 1.080 2.947) 3.503 2.566 ( -6.321 2.585 -0.787) 6.874 2.680 ( 0.242 -0.563 0.268) 0.669 2.862 ( 7.281 4.354 -1.187) 8.566 2.969 ( 0.657 3.058 -4.140) 5.188 3.081 ( 17.298 -0.529 -6.481) 18.479 3.251 ( -1.733 -0.991 3.808) 4.300 3.321 ( 4.995 -0.886 -1.568) 5.310 3.545 ( 2.176 3.963 8.551) 9.672 3.788 ( -3.875 -1.108 -0.329) 4.044 4.178 ( 8.042 2.093 -2.842) 8.782 4.494 ( 5.058 -7.753 7.403) 11.853 4.893 ( 6.249 2.159 -2.758) 7.164 4.981 ( -5.102 -2.022 0.143) 5.490 5.236 ( 3.191 6.976 2.585) 8.095 5.451 ( 6.779 2.460 -6.470) 9.689 5.679 ( -3.862 0.640 3.921) 5.541 5.900 ( -0.256 0.910 6.735) 6.802 6.216 ( -2.470 0.516 4.671) 5.309 6.341 ( 0.997 1.954 -13.167) 13.349 7.033 ( -5.991 1.775 -10.512) 12.229 7.447 ( -2.528 2.302 4.030) 5.285 8.077 ( -1.473 -2.762 -8.665) 9.213 8.156 ( 3.689 -4.535 3.594) 6.863 8.468 ( 16.063 2.852 3.471) 16.679 9.449 ( 0.069 -0.755 2.961) 3.056 10.011 ( -16.894 0.251 -1.038) 16.927 10.175 ( -10.375 0.512 0.298) 10.392 12.612 ( 1.018 -0.256 3.407) 3.565 12.777 ( -1.427 0.929 -4.626) 4.929 14.573 ( 5.645 2.222 6.319) 8.760 14.701 ( 0.546 -0.553 4.445) 4.513 15.064 ( -9.924 -4.722 4.930) 12.045 15.234 ( -8.322 -9.779 -4.187) 13.506 16.026 ( 8.555 -0.290 -6.026) 10.469 16.227 ( 2.443 -0.254 7.569) 7.958 17.023 ( 8.985 -0.804 -1.826) 9.203 17.309 ( 3.836 -3.214 -2.569) 5.625 18.014 ( -7.696 2.132 5.801) 9.871 18.191 ( -0.763 11.225 -11.440) 16.046======================= Grid point 4 (5/172) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.417 ( 8.407 -11.139 -2.189) 14.126 1.547 ( 8.798 -6.566 -4.091) 11.715 1.640 ( -0.639 2.669 1.924) 3.352 1.807 ( -3.568 3.191 1.420) 4.993 1.895 ( 0.619 -5.268 3.544) 6.380 2.052 ( -3.371 -4.303 2.384) 5.963 2.263 ( 0.266 2.902 4.280) 5.178 2.276 ( -0.616 4.110 -0.678) 4.211 2.351 ( -1.745 4.821 1.607) 5.373 2.494 ( -0.757 -0.237 -1.929) 2.086 2.708 ( 0.043 -4.450 -0.749) 4.513 2.898 ( 2.894 5.243 0.357) 5.999 3.017 ( 5.602 2.275 -3.921) 7.207 3.196 ( -4.546 -2.884 3.826) 6.605 3.319 ( 9.987 0.223 -5.649) 11.476 3.407 ( 2.984 0.003 1.156) 3.200 3.572 ( 3.631 2.919 3.380) 5.756 3.729 ( -4.380 -1.491 -1.436) 4.844 4.314 ( 8.447 1.000 0.218) 8.509 4.670 ( 6.102 -6.084 7.559) 11.463 4.880 ( -4.593 -1.634 1.142) 5.007 5.040 ( 4.164 -2.469 -7.975) 9.329 5.199 ( 6.318 10.612 -2.686) 12.639 5.489 ( -1.095 1.008 7.876) 8.016 5.639 ( -2.412 -0.026 -1.006) 2.613 5.847 ( -3.580 3.356 3.078) 5.792 6.204 ( -0.057 -0.222 3.108) 3.117 6.332 ( 2.332 0.749 -8.628) 8.969 6.945 ( -1.202 -0.693 -8.044) 8.163 7.336 ( -8.253 1.618 5.917) 10.283 8.079 ( 1.179 -0.709 -7.410) 7.536 8.256 ( 2.342 -3.969 1.664) 4.900 8.751 ( 18.938 3.493 1.436) 19.311 9.393 ( -12.116 -3.958 4.762) 13.607 9.794 ( -3.924 2.094 -2.380) 5.045 9.996 ( -9.537 0.257 0.593) 9.559 12.644 ( 1.419 -0.389 3.995) 4.257 12.734 ( -1.542 0.745 -4.694) 4.997 14.655 ( 4.593 2.277 4.909) 7.098 14.734 ( 1.334 -1.428 2.946) 3.535 14.941 ( -6.424 0.128 -0.268) 6.431 15.187 ( -5.834 -7.829 -2.736) 10.140 16.123 ( 4.148 0.920 -4.082) 5.892 16.293 ( 2.454 -1.189 5.038) 5.728 17.147 ( 4.823 -0.347 -0.908) 4.920 17.418 ( 5.366 -3.433 -2.819) 6.967 17.879 ( -6.465 2.129 5.055) 8.479 18.063 ( -1.998 6.980 -5.770) 9.274======================= Grid point 5 (6/172) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 152Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( 0.000 -0.000 -0.000) 0.000 1.590 ( -0.000 0.000 0.000) 0.000 1.653 ( 0.000 -0.000 0.000) 0.000 1.758 ( 0.000 -0.000 -0.000) 0.000 1.955 ( 0.000 0.000 -0.000) 0.000 2.017 ( 0.000 -0.000 0.000) 0.000 2.236 ( 0.000 -0.000 0.000) 0.000 2.252 ( 0.000 -0.000 -0.000) 0.000 2.311 ( 0.000 -0.000 0.000) 0.000 2.493 ( 0.000 -0.000 -0.000) 0.000 2.733 ( 0.000 -0.000 0.000) 0.000 2.902 ( 0.000 -0.000 0.000) 0.000 3.041 ( -0.000 -0.000 0.000) 0.000 3.177 ( 0.000 -0.000 0.000) 0.000 3.405 ( 0.000 -0.000 -0.000) 0.000 3.429 ( 0.000 -0.000 0.000) 0.000 3.613 ( 0.000 -0.000 -0.000) 0.000 3.676 ( 0.000 -0.000 0.000) 0.000 4.394 ( 0.000 -0.000 -0.000) 0.000 4.801 ( 0.000 -0.000 0.000) 0.000 4.835 ( 0.000 -0.000 -0.000) 0.000 5.006 ( -0.000 -0.000 0.000) 0.000 5.354 ( -0.000 -0.000 0.000) 0.000 5.380 ( 0.000 0.000 -0.000) 0.000 5.612 ( 0.000 -0.000 0.000) 0.000 5.797 ( 0.000 -0.000 -0.000) 0.000 6.210 ( 0.000 -0.000 0.000) 0.000 6.348 ( 0.000 -0.000 -0.000) 0.000 6.948 ( 0.000 -0.000 -0.000) 0.000 7.237 ( 0.000 -0.000 0.000) 0.000 8.087 ( 0.000 -0.000 -0.000) 0.000 8.298 ( 0.000 -0.000 0.000) 0.000 8.983 ( 0.000 -0.000 -0.000) 0.000 9.212 ( 0.000 -0.000 0.000) 0.000 9.793 ( -0.000 -0.000 -0.000) 0.000 9.883 ( 0.000 -0.000 -0.000) 0.000 12.673 ( 0.000 -0.000 -0.000) 0.000 12.702 ( 0.000 -0.000 0.000) 0.000 14.693 ( 0.000 -0.000 0.000) 0.000 14.766 ( 0.000 -0.000 -0.000) 0.000 14.871 ( 0.000 -0.000 -0.000) 0.000 15.167 ( 0.000 -0.000 0.000) 0.000 16.149 ( 0.000 -0.000 -0.000) 0.000 16.328 ( 0.000 -0.000 0.000) 0.000 17.190 ( 0.000 -0.000 0.000) 0.000 17.494 ( 0.000 -0.000 -0.000) 0.000 17.806 ( 0.000 -0.000 0.000) 0.000 18.003 ( 0.000 -0.000 0.000) 0.000======================= Grid point 12 (7/172) =======================q-point: ( 0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.589 ( 16.166 0.000 1.391) 16.226 0.787 ( 20.695 0.000 3.650) 21.015 1.376 ( 29.275 0.000 1.014) 29.292 1.758 ( -2.332 -0.000 -1.646) 2.854 1.801 ( 2.495 0.000 1.331) 2.828 2.142 ( -9.419 -0.000 3.667) 10.107 2.252 ( -2.161 -0.000 1.631) 2.707 2.318 ( 4.256 0.000 4.858) 6.458 2.347 ( 3.306 0.000 -0.466) 3.338 2.679 ( -1.349 -0.000 1.610) 2.100 2.689 ( 21.615 0.000 -4.991) 22.184 2.754 ( -6.113 -0.000 2.767) 6.710 2.968 ( 0.257 0.000 -2.350) 2.364 3.032 ( -1.360 -0.000 -5.148) 5.324 3.186 ( 4.240 0.000 -1.015) 4.359 3.271 ( 0.604 0.000 1.735) 1.837 3.545 ( 2.559 0.000 10.942) 11.237 3.857 ( -5.246 -0.000 0.862) 5.317 4.149 ( 7.286 0.000 12.788) 14.718 4.242 ( -0.330 -0.000 -12.131) 12.135 4.900 ( 2.211 0.000 -3.911) 4.493 4.987 ( 2.453 0.000 -2.851) 3.761 5.193 ( 12.898 0.000 2.289) 13.100 5.379 ( -2.952 -0.000 -3.076) 4.264 5.835 ( -8.342 -0.000 5.187) 9.823 5.837 ( 2.982 0.000 4.406) 5.321 6.282 ( -4.023 -0.000 6.056) 7.270 6.346 ( 6.472 0.000 -11.949) 13.589 7.244 ( -8.823 -0.000 -9.734) 13.138 7.468 ( 0.954 0.000 -2.770) 2.929 8.049 ( 0.863 0.000 5.104) 5.176 8.069 ( 0.669 0.000 -0.302) 0.734 8.271 ( 9.698 0.000 -1.279) 9.782 9.432 ( 1.229 0.000 2.414) 2.709 10.318 ( -15.659 -0.000 -4.660) 16.337 10.348 ( -8.686 -0.000 -0.078) 8.687 12.591 ( 0.320 0.000 2.571) 2.591 12.828 ( -1.110 -0.000 -3.517) 3.689 14.541 ( 4.355 0.000 3.893) 5.842 14.700 ( -1.079 -0.000 -3.011) 3.199 14.863 ( -4.645 -0.000 35.097) 35.403 15.335 ( -8.852 -0.000 -6.419) 10.935 15.850 ( 10.150 0.000 -3.830) 10.849 16.181 ( 2.326 0.000 5.422) 5.900 16.838 ( 10.623 0.000 -2.874) 11.005 17.214 ( 2.155 0.000 -1.645) 2.711 18.165 ( -6.800 -0.000 4.192) 7.989 18.469 ( -1.965 -0.000 -23.092) 23.176======================= Grid point 13 (8/172) =======================q-point: ( 0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.899 ( 13.832 -8.664 1.102) 16.358 1.142 ( 17.617 -3.610 -0.426) 17.988 1.678 ( 5.336 1.088 1.964) 5.789 1.739 ( 0.241 -2.557 -0.982) 2.749 1.908 ( 5.752 -2.178 3.883) 7.273 1.979 ( -8.997 -0.036 4.048) 9.866 2.262 ( 3.460 0.371 -0.303) 3.493 2.379 ( 2.194 2.184 2.583) 4.032 2.403 ( 3.162 0.295 1.537) 3.528 2.615 ( -5.088 2.469 -1.441) 5.836 2.668 ( -3.717 -1.040 1.398) 4.105 2.951 ( 6.962 4.749 -2.590) 8.816 3.006 ( 2.153 0.526 -3.773) 4.376 3.056 ( 10.695 -1.993 -5.121) 12.024 3.258 ( 2.440 1.616 0.379) 2.951 3.296 ( 4.345 -1.932 -0.343) 4.768 3.599 ( 1.996 1.737 8.902) 9.287 3.775 ( -4.409 -0.408 0.183) 4.432 4.235 ( 7.293 4.429 -2.499) 8.890 4.355 ( 6.329 -7.166 7.827) 12.355 4.920 ( 0.217 1.197 -1.977) 2.321 4.945 ( -3.044 -1.717 -1.239) 3.708 5.366 ( 7.938 6.802 -1.027) 10.504 5.455 ( 8.335 -2.463 -6.573) 10.897 5.693 ( -7.510 0.783 5.394) 9.279 5.901 ( 2.053 -0.499 7.369) 7.666 6.219 ( -4.069 -0.003 6.275) 7.479 6.364 ( -0.081 0.628 -13.631) 13.645 7.062 ( -8.173 1.059 -11.892) 14.469 7.466 ( -4.119 0.260 8.859) 9.773 8.054 ( 1.613 0.273 -8.257) 8.417 8.085 ( 2.499 -3.035 -2.746) 4.796 8.513 ( 16.479 1.537 5.141) 17.331 9.439 ( -2.256 -0.357 4.729) 5.252 10.024 ( -15.507 0.749 -2.961) 15.805 10.181 ( -10.332 0.164 0.143) 10.334 12.608 ( 0.918 -0.152 3.599) 3.717 12.793 ( -1.603 0.668 -4.359) 4.692 14.620 ( 5.206 2.998 3.845) 7.133 14.682 ( -0.495 -1.886 -0.731) 2.083 14.907 ( -2.548 -7.454 20.629) 22.082 15.171 ( -8.220 -0.445 -8.531) 11.855 16.022 ( 9.962 -0.167 -5.521) 11.391 16.225 ( 1.321 -0.033 7.463) 7.579 17.017 ( 10.076 -0.041 -3.315) 10.607 17.264 ( 3.441 -1.474 -2.723) 4.629 18.037 ( -8.338 0.626 5.325) 9.913 18.348 ( -4.640 5.073 -12.518) 14.282======================= Grid point 14 (9/172) =======================q-point: ( 0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.203 ( 10.621 -10.843 0.361) 15.182 1.438 ( 12.148 -4.664 -4.537) 13.780 1.679 ( -1.076 1.597 1.316) 2.333 1.791 ( -0.907 -4.281 4.726) 6.441 1.853 ( -2.375 0.803 1.800) 3.087 1.996 ( 0.941 -1.962 2.243) 3.125 2.306 ( 0.768 1.700 -0.761) 2.015 2.361 ( -0.895 4.685 0.299) 4.779 2.436 ( 0.681 2.895 2.822) 4.099 2.520 ( -0.398 3.056 -1.747) 3.542 2.634 ( -2.445 -3.341 -0.348) 4.155 2.989 ( 3.415 3.837 -1.633) 5.390 3.035 ( 0.071 0.477 -2.434) 2.482 3.152 ( 1.142 -2.157 -0.465) 2.484 3.333 ( 7.148 1.355 -3.071) 7.897 3.404 ( 4.723 -0.436 0.354) 4.756 3.622 ( 2.052 2.383 4.301) 5.328 3.709 ( -3.977 -0.728 -0.879) 4.137 4.350 ( 8.465 3.099 2.272) 9.296 4.549 ( 7.058 -6.979 8.137) 12.835 4.857 ( -4.201 -0.907 0.610) 4.341 4.988 ( 3.088 -2.756 -9.256) 10.140 5.380 ( 4.496 8.799 -3.990) 10.656 5.515 ( -3.689 1.684 6.722) 7.851 5.619 ( -2.580 -2.097 -0.840) 3.430 5.908 ( -1.937 2.721 3.017) 4.501 6.192 ( -1.129 -0.788 8.462) 8.573 6.334 ( 0.918 -0.434 -12.725) 12.766 6.937 ( -2.243 -0.243 -10.789) 11.022 7.345 ( -10.434 -0.236 9.699) 14.247 8.052 ( -1.187 -1.734 -0.114) 2.105 8.217 ( 9.817 -0.748 -9.169) 13.454 8.812 ( 19.353 3.018 2.865) 19.795 9.326 ( -14.689 -3.230 6.288) 16.301 9.834 ( -2.892 2.113 -3.280) 4.856 9.999 ( -10.357 0.027 0.504) 10.370 12.638 ( 1.392 -0.254 4.347) 4.571 12.748 ( -1.852 0.705 -4.585) 4.995 14.650 ( -0.767 -2.344 -3.645) 4.401 14.734 ( 4.309 1.083 6.504) 7.877 14.947 ( -2.063 0.825 7.542) 7.863 15.070 ( -1.816 -4.984 -2.927) 6.058 16.147 ( 5.542 1.566 -4.632) 7.391 16.264 ( 1.191 -1.730 6.733) 7.053 17.152 ( 6.193 0.746 -2.851) 6.858 17.352 ( 4.946 -3.400 -3.869) 7.140 17.898 ( -8.030 0.514 5.691) 9.856 18.187 ( -5.849 5.660 -6.739) 10.567======================= Grid point 15 (10/172) =======================q-point: ( 0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.444 ( 6.315 -9.302 -0.963) 11.284 1.595 ( 2.342 -3.780 -4.055) 6.018 1.645 ( -1.976 0.331 4.166) 4.623 1.774 ( -0.961 1.320 3.314) 3.694 1.909 ( 2.560 -3.613 2.439) 5.055 2.032 ( 4.294 1.202 -2.294) 5.014 2.260 ( -2.974 1.526 -0.907) 3.464 2.285 ( -1.418 4.271 -3.477) 5.687 2.387 ( -0.718 5.762 0.089) 5.807 2.525 ( 1.751 3.283 1.745) 4.110 2.665 ( 1.821 -5.314 -1.550) 5.827 2.948 ( -7.460 -0.149 1.353) 7.584 3.010 ( 1.070 1.082 0.255) 1.543 3.207 ( 4.068 1.890 -3.605) 5.754 3.397 ( -0.019 -0.760 0.706) 1.037 3.439 ( 0.072 1.046 -0.424) 1.131 3.616 ( -4.537 0.265 0.376) 4.561 3.684 ( 3.620 0.783 1.045) 3.849 4.414 ( -0.270 2.264 3.136) 3.878 4.754 ( 7.376 -5.494 5.626) 10.781 4.814 ( -0.804 -1.123 -1.214) 1.839 4.993 ( -2.643 -1.238 -9.617) 10.050 5.345 ( -14.690 -0.136 7.277) 16.394 5.447 ( 11.214 5.528 -5.241) 13.557 5.581 ( -4.687 -2.245 2.752) 5.881 5.834 ( -1.831 2.673 -5.436) 6.328 6.196 ( -1.648 -1.066 8.469) 8.693 6.339 ( -0.236 -1.038 -6.461) 6.548 6.949 ( 3.044 0.068 -4.258) 5.235 7.220 ( -4.078 -1.687 4.675) 6.429 8.053 ( -1.341 -2.745 4.073) 5.091 8.343 ( 7.171 3.835 -6.371) 10.330 8.975 ( -12.961 -0.770 2.781) 13.279 9.213 ( 13.580 0.077 -0.213) 13.582 9.801 ( -4.825 0.850 0.504) 4.925 9.883 ( 1.851 -0.085 -1.063) 2.136 12.673 ( 1.092 -0.015 3.292) 3.469 12.704 ( -1.390 0.204 -2.824) 3.154 14.638 ( -2.811 -3.993 -6.177) 7.874 14.805 ( 3.015 2.238 5.061) 6.302 14.874 ( -2.388 0.403 -3.082) 3.920 15.174 ( 8.322 0.569 6.708) 10.704 16.165 ( -0.582 1.796 1.678) 2.526 16.312 ( 0.699 -1.764 -0.005) 1.897 17.202 ( 1.356 1.395 -2.188) 2.928 17.459 ( 3.294 -3.591 -3.772) 6.162 17.789 ( -5.385 -1.198 4.675) 7.231 18.042 ( -4.317 3.380 -2.566) 6.053======================= Grid point 16 (11/172) =======================q-point: (-0.50 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.556 ( -2.626 0.177 -3.131) 4.090 1.573 ( -3.306 0.157 4.287) 5.416 1.629 ( -1.115 -0.613 2.743) 3.023 1.761 ( 0.684 0.111 1.705) 1.840 1.943 ( 0.215 -0.656 -1.506) 1.657 2.121 ( 5.121 1.091 -2.842) 5.957 2.218 ( -0.246 0.880 -5.022) 5.104 2.252 ( 1.415 1.293 -2.166) 2.892 2.343 ( 2.743 4.248 -1.896) 5.400 2.516 ( 0.054 1.957 1.339) 2.372 2.747 ( 2.164 -1.748 -0.599) 2.846 2.831 ( -5.739 -1.734 1.279) 6.130 2.981 ( -4.720 0.054 2.483) 5.333 3.245 ( 3.930 2.133 -5.375) 6.992 3.322 ( -9.428 0.464 4.653) 10.524 3.408 ( -2.716 0.222 -1.086) 2.934 3.526 ( -5.852 -2.049 -1.449) 6.367 3.759 ( 4.936 1.626 1.994) 5.567 4.308 ( -10.081 0.144 2.465) 10.379 4.753 ( -3.711 2.899 -6.162) 7.755 4.914 ( 4.901 2.038 -1.251) 5.453 5.002 ( 2.022 -8.891 0.016) 9.118 5.083 ( -14.284 0.357 4.870) 15.095 5.479 ( -5.199 -0.606 -2.909) 5.988 5.618 ( 5.707 -1.455 -3.159) 6.683 5.815 ( 2.582 -0.274 -4.310) 5.032 6.190 ( -1.714 -1.694 5.367) 5.883 6.311 ( -3.211 -1.520 1.795) 3.980 6.964 ( 0.734 1.462 4.921) 5.186 7.281 ( 4.793 -4.431 -1.477) 6.693 8.079 ( 1.653 -0.370 7.588) 7.775 8.354 ( 0.373 6.358 -5.338) 8.310 8.692 ( -18.044 -3.099 0.011) 18.308 9.460 ( 9.373 3.273 -3.288) 10.458 9.765 ( 6.258 -0.999 1.464) 6.504 9.990 ( 8.546 -0.380 -0.728) 8.585 12.651 ( -1.632 0.404 -3.806) 4.161 12.723 ( 1.551 -0.465 4.996) 5.252 14.600 ( -3.778 -3.198 -7.345) 8.857 14.762 ( -2.505 1.427 -5.984) 6.642 14.935 ( 5.971 -0.616 5.277) 7.993 15.331 ( 12.097 7.552 6.410) 15.635 16.118 ( -4.296 0.420 5.116) 6.694 16.302 ( -2.263 -0.175 -4.553) 5.087 17.167 ( -3.301 1.892 -1.547) 4.107 17.462 ( -3.853 1.105 0.318) 4.021 17.794 ( 1.319 -6.977 -0.144) 7.102 17.989 ( -0.532 -1.018 1.525) 1.909======================= Grid point 17 (12/172) =======================q-point: (-0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.342 ( -11.757 10.512 1.824) 15.876 1.448 ( -10.192 6.178 2.822) 12.248 1.659 ( 2.901 1.351 -0.312) 3.215 1.821 ( 3.077 -3.561 -0.441) 4.727 1.950 ( 1.877 1.549 -3.034) 3.889 2.138 ( -4.392 7.415 -3.394) 9.262 2.169 ( 1.034 -3.426 -3.083) 4.723 2.281 ( 1.459 -1.175 -1.504) 2.402 2.402 ( 3.651 2.962 -4.299) 6.371 2.528 ( 3.735 -1.592 -0.322) 4.073 2.704 ( -3.090 2.130 1.817) 4.170 2.805 ( -6.391 -1.959 0.987) 6.757 2.911 ( -0.609 -2.872 3.235) 4.369 3.085 ( -17.827 0.305 6.479) 18.971 3.279 ( 0.094 1.585 -5.962) 6.170 3.333 ( -4.029 0.590 2.001) 4.537 3.468 ( -2.580 -4.425 -7.789) 9.322 3.814 ( 2.657 1.711 1.348) 3.436 4.144 ( -8.852 -2.115 5.139) 10.452 4.621 ( -4.464 6.024 -8.777) 11.543 4.844 ( -10.960 -2.785 0.940) 11.347 5.011 ( 6.264 1.185 -1.871) 6.644 5.125 ( 1.551 -5.412 -2.458) 6.143 5.390 ( -7.105 -3.867 6.476) 10.362 5.666 ( 1.543 -0.856 -5.001) 5.303 5.874 ( 1.881 -1.457 -5.992) 6.447 6.196 ( 0.473 -1.772 -0.975) 2.077 6.296 ( -2.199 -2.953 11.423) 12.001 7.008 ( 3.350 -0.980 8.190) 8.903 7.377 ( 0.705 -5.341 1.120) 5.502 8.144 ( 5.813 4.352 7.645) 10.544 8.225 ( -8.407 2.275 -9.174) 12.650 8.440 ( -12.431 0.589 -0.762) 12.469 9.466 ( -1.493 1.078 -1.201) 2.198 10.021 ( 18.442 1.222 -0.615) 18.493 10.163 ( 10.650 -0.847 -0.522) 10.696 12.616 ( -1.272 0.158 -3.282) 3.523 12.765 ( 1.649 -0.389 5.039) 5.316 14.538 ( -4.316 -1.738 -7.853) 9.128 14.709 ( -1.215 0.419 -6.481) 6.607 15.075 ( 8.048 -1.286 4.534) 9.326 15.466 ( 12.930 12.941 3.297) 18.589 16.030 ( -7.009 0.146 6.826) 9.785 16.233 ( -3.597 0.334 -7.556) 8.376 17.051 ( -7.252 2.476 -0.713) 7.696 17.368 ( -3.809 3.066 2.042) 5.299 17.911 ( 1.675 -11.131 -0.806) 11.286 18.032 ( 1.818 -3.803 4.544) 6.198======================= Grid point 18 (13/172) =======================q-point: (-0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( -14.176 12.767 -0.174) 19.078 1.154 ( -14.943 11.670 3.170) 19.223 1.616 ( -6.369 13.040 -3.356) 14.895 1.833 ( 0.224 4.605 -0.660) 4.658 1.955 ( -3.217 5.271 -1.845) 6.445 2.035 ( 4.358 -5.135 -0.130) 6.736 2.223 ( 2.064 -3.454 -3.092) 5.074 2.287 ( -1.812 -0.427 -2.767) 3.335 2.342 ( -5.086 1.014 -0.693) 5.232 2.611 ( -2.086 -4.479 1.024) 5.045 2.689 ( -12.118 -0.883 2.757) 12.458 2.726 ( 9.081 1.337 -2.077) 9.411 2.782 ( -11.384 -2.241 2.393) 11.847 2.982 ( 3.033 -3.108 3.555) 5.612 3.166 ( -8.544 -1.235 2.312) 8.937 3.318 ( 0.203 0.583 -3.433) 3.488 3.470 ( 0.697 -2.340 -10.366) 10.649 3.842 ( 1.789 -0.781 -1.200) 2.291 4.066 ( -3.836 -0.145 2.852) 4.782 4.485 ( -2.367 6.300 -4.012) 7.835 4.734 ( -6.279 -4.866 1.478) 8.080 5.049 ( -1.782 0.179 -0.852) 1.983 5.169 ( -2.089 -2.556 -4.236) 5.370 5.355 ( 2.213 -1.779 8.506) 8.968 5.724 ( 3.687 -2.875 -4.597) 6.557 5.869 ( -1.077 -1.622 -5.773) 6.093 6.235 ( 1.197 -2.388 -1.192) 2.925 6.290 ( -5.211 -2.800 10.461) 12.017 7.128 ( 5.736 -4.269 10.408) 12.627 7.423 ( 0.265 -3.395 6.364) 7.217 8.011 ( -12.871 -2.089 -10.578) 16.791 8.168 ( -5.129 4.425 -8.580) 10.932 8.279 ( 0.056 3.802 9.290) 10.038 9.438 ( 0.075 1.781 -0.431) 1.833 10.290 ( 11.884 -0.643 0.481) 11.911 10.368 ( 13.450 1.446 -0.984) 13.564 12.594 ( -0.627 -0.025 -2.355) 2.437 12.805 ( 1.621 -0.221 4.307) 4.608 14.457 ( -4.479 -0.835 -7.552) 8.820 14.684 ( -0.218 -0.018 -5.742) 5.746 15.246 ( 8.863 -2.082 3.091) 9.615 15.564 ( 13.489 15.040 -2.063) 20.308 15.902 ( -7.149 2.528 3.968) 8.558 16.165 ( -2.742 -0.598 -6.140) 6.751 16.896 ( -6.410 3.511 -0.749) 7.347 17.294 ( -1.851 3.530 1.774) 4.362 18.016 ( -4.979 -15.371 7.394) 17.769 18.121 ( 3.669 -3.282 2.593) 5.564======================= Grid point 19 (14/172) =======================q-point: (-0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.643 ( -12.818 15.144 -2.283) 19.971 0.738 ( -21.885 11.938 4.371) 25.310 1.176 ( -14.241 30.936 -3.171) 34.203 1.860 ( 4.819 2.025 0.827) 5.293 1.882 ( 0.050 5.894 -1.616) 6.112 2.169 ( 2.693 -6.689 -0.123) 7.212 2.214 ( -5.759 -1.340 -3.376) 6.808 2.249 ( -2.801 -2.343 0.922) 3.766 2.315 ( 3.249 -0.016 -2.838) 4.314 2.405 ( -13.047 1.337 4.437) 13.846 2.578 ( -5.873 -3.851 0.645) 7.053 2.782 ( 1.359 -7.380 -3.652) 8.345 2.891 ( 6.039 -0.913 0.189) 6.111 3.050 ( -0.799 -2.259 3.445) 4.197 3.089 ( 1.080 -1.886 2.265) 3.139 3.300 ( -1.284 -0.153 -2.893) 3.169 3.491 ( 3.362 0.746 -9.187) 9.811 3.878 ( 0.615 -1.411 -2.901) 3.284 3.992 ( -3.151 2.559 -1.147) 4.218 4.415 ( -0.613 4.499 0.319) 4.552 4.707 ( -3.105 -5.067 0.655) 5.978 5.010 ( -0.861 1.510 -0.362) 1.776 5.079 ( -5.798 -2.172 9.685) 11.495 5.549 ( 15.362 -0.417 -4.133) 15.914 5.760 ( -1.091 -1.721 -1.943) 2.816 5.906 ( 2.742 -3.898 -6.148) 7.779 6.158 ( -12.355 -2.200 11.666) 17.134 6.287 ( 0.849 -2.313 -3.704) 4.449 7.315 ( 8.528 -4.166 12.131) 15.403 7.492 ( 3.866 -1.169 9.638) 10.450 7.786 ( -13.673 -3.628 -12.890) 19.138 7.928 ( -16.199 -0.394 -7.907) 18.030 8.309 ( 3.619 5.241 4.021) 7.532 9.431 ( 1.558 3.103 -0.057) 3.473 10.446 ( 5.379 -1.411 0.418) 5.576 10.553 ( 8.638 2.423 0.865) 9.013 12.585 ( -0.149 -0.128 -1.240) 1.255 12.839 ( 1.387 0.085 2.753) 3.084 14.375 ( -4.010 -0.449 -6.150) 7.356 14.675 ( 0.014 -0.052 -3.829) 3.830 15.415 ( 6.767 -3.265 1.858) 7.740 15.666 ( 8.333 7.250 -2.400) 11.303 15.805 ( 7.107 9.899 -7.774) 14.455 16.122 ( -2.034 -0.545 -2.504) 3.272 16.811 ( 4.406 6.563 -4.311) 9.004 17.242 ( -0.894 3.493 1.273) 3.824 18.002 ( -18.762 -17.520 20.226) 32.681 18.213 ( 3.115 -2.719 -0.516) 4.167======================= Grid point 20 (15/172) =======================q-point: (-0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.301 ( 0.000 16.726 -0.000) 16.726 0.347 ( 0.000 19.140 -0.000) 19.140 0.711 ( 0.000 39.159 -0.000) 39.159 1.828 ( 0.000 5.123 -0.000) 5.123 1.924 ( 0.000 0.949 -0.000) 0.949 2.121 ( -0.000 -0.171 0.000) 0.171 2.221 ( -0.000 -1.900 0.000) 1.900 2.249 ( -0.000 -2.102 0.000) 2.102 2.310 ( -0.000 -2.823 0.000) 2.823 2.362 ( 0.000 0.946 -0.000) 0.946 2.528 ( -0.000 -2.342 0.000) 2.342 2.861 ( -0.000 -5.731 0.000) 5.731 2.934 ( -0.000 -4.154 0.000) 4.154 3.081 ( -0.000 -2.232 0.000) 2.232 3.152 ( 0.000 0.015 -0.000) 0.015 3.278 ( -0.000 -0.170 0.000) 0.170 3.531 ( 0.000 0.162 -0.000) 0.162 3.850 ( 0.000 2.149 -0.000) 2.149 3.937 ( 0.000 2.442 -0.000) 2.442 4.371 ( 0.000 3.123 -0.000) 3.123 4.714 ( -0.000 -5.051 0.000) 5.051 4.957 ( 0.000 5.297 -0.000) 5.297 5.157 ( -0.000 -8.419 0.000) 8.419 5.756 ( -0.000 -0.951 0.000) 0.951 5.766 ( 0.000 0.265 -0.000) 0.265 5.911 ( -0.000 -3.340 0.000) 3.340 6.060 ( -0.000 -2.981 0.000) 2.981 6.303 ( -0.000 -1.630 0.000) 1.630 7.506 ( 0.000 5.429 -0.000) 5.429 7.536 ( -0.000 -2.786 0.000) 2.786 7.620 ( 0.000 0.138 -0.000) 0.138 7.681 ( -0.000 -4.140 0.000) 4.140 8.304 ( 0.000 3.767 -0.000) 3.767 9.423 ( 0.000 2.833 -0.000) 2.833 10.504 ( -0.000 -1.081 0.000) 1.081 10.603 ( 0.000 2.610 -0.000) 2.610 12.584 ( -0.000 -0.119 0.000) 0.119 12.855 ( 0.000 0.168 -0.000) 0.168 14.321 ( 0.000 0.613 -0.000) 0.613 14.670 ( 0.000 0.077 -0.000) 0.077 15.513 ( -0.000 -3.560 0.000) 3.560 15.661 ( 0.000 1.301 -0.000) 1.301 15.966 ( -0.000 -0.123 0.000) 0.123 16.100 ( -0.000 -0.243 0.000) 0.243 16.968 ( 0.000 0.103 -0.000) 0.103 17.206 ( 0.000 2.708 -0.000) 2.708 17.748 ( -0.000 -1.927 0.000) 1.927 18.263 ( -0.000 -2.097 0.000) 2.097======================= Grid point 23 (16/172) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.094 ( 12.245 0.000 1.844) 12.383 1.395 ( 13.109 0.000 -4.828) 13.970 1.697 ( -3.003 -0.000 0.528) 3.049 1.746 ( 2.009 0.000 4.530) 4.956 1.860 ( -3.995 -0.000 2.665) 4.802 1.979 ( 3.048 0.000 2.224) 3.773 2.319 ( 0.933 0.000 -2.629) 2.790 2.421 ( 0.046 0.000 2.906) 2.906 2.447 ( 1.205 0.000 0.737) 1.412 2.565 ( -1.225 -0.000 -2.117) 2.446 2.596 ( -2.531 -0.000 0.923) 2.694 3.002 ( -2.421 -0.000 -2.934) 3.804 3.073 ( -0.776 -0.000 -0.531) 0.940 3.117 ( 7.724 0.000 -3.482) 8.472 3.352 ( 3.767 0.000 -0.747) 3.840 3.396 ( 7.326 0.000 -0.725) 7.361 3.646 ( 1.550 0.000 4.552) 4.808 3.703 ( -3.893 -0.000 -0.717) 3.959 4.417 ( 11.467 0.000 -2.861) 11.819 4.444 ( 4.552 0.000 14.258) 14.967 4.849 ( -4.021 -0.000 0.298) 4.032 4.960 ( 2.352 0.000 -9.623) 9.906 5.475 ( 1.158 0.000 -3.243) 3.443 5.542 ( 2.291 0.000 1.907) 2.981 5.578 ( -6.783 -0.000 1.833) 7.026 5.933 ( -1.190 -0.000 3.311) 3.519 6.185 ( -0.898 -0.000 11.236) 11.272 6.328 ( -0.150 -0.000 -14.762) 14.762 6.935 ( -2.837 -0.000 -11.943) 12.276 7.341 ( -11.068 -0.000 11.226) 15.765 8.034 ( -2.489 -0.000 3.047) 3.934 8.213 ( 13.104 0.000 -13.778) 19.014 8.843 ( 19.899 0.000 3.299) 20.171 9.293 ( -16.130 -0.000 7.060) 17.608 9.856 ( -2.692 -0.000 -3.726) 4.597 9.999 ( -10.785 -0.000 0.537) 10.799 12.636 ( 1.414 0.000 4.537) 4.752 12.755 ( -2.092 -0.000 -4.568) 5.024 14.621 ( -2.145 -0.000 -5.774) 6.160 14.745 ( 4.454 0.000 7.429) 8.662 14.966 ( 7.351 0.000 16.671) 18.220 15.016 ( -7.112 -0.000 -9.821) 12.126 16.166 ( 7.684 0.000 -6.577) 10.114 16.244 ( -0.896 -0.000 9.114) 9.158 17.163 ( 7.153 0.000 -3.728) 8.066 17.316 ( 4.139 0.000 -4.060) 5.798 17.903 ( -8.504 -0.000 5.760) 10.271 18.241 ( -7.441 -0.000 -7.019) 10.229======================= Grid point 24 (17/172) =======================q-point: ( 0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.305 ( 8.873 -4.704 1.116) 10.104 1.538 ( 3.277 -1.904 -4.994) 6.269 1.639 ( -3.275 -0.501 3.581) 4.879 1.800 ( 2.505 1.390 4.776) 5.569 1.854 ( 1.644 -2.219 1.893) 3.348 2.049 ( 5.722 0.511 -2.947) 6.457 2.281 ( -3.308 0.715 -3.945) 5.198 2.376 ( -1.172 5.008 -1.853) 5.467 2.441 ( -1.221 -0.733 -1.079) 1.787 2.582 ( 0.391 0.890 0.616) 1.151 2.603 ( 4.515 0.380 2.259) 5.063 2.885 ( -9.839 -3.284 -0.048) 10.373 3.084 ( 2.356 3.625 -0.974) 4.432 3.218 ( 3.934 -0.445 -4.157) 5.741 3.386 ( -0.345 -0.328 1.325) 1.407 3.458 ( 0.474 0.775 0.116) 0.916 3.621 ( -5.719 0.225 -0.030) 5.724 3.697 ( 4.152 0.452 1.717) 4.516 4.470 ( -2.317 3.330 8.040) 9.006 4.643 ( 9.385 -5.322 2.288) 11.029 4.800 ( -0.748 -0.462 -1.682) 1.898 4.972 ( 0.311 -0.783 -11.221) 11.253 5.346 ( -14.878 0.104 5.049) 15.711 5.518 ( -1.185 0.865 4.075) 4.331 5.574 ( 3.851 1.973 -2.559) 5.027 5.856 ( -5.159 -0.135 -9.283) 10.621 6.192 ( -2.629 0.527 16.341) 16.559 6.314 ( 0.057 -1.338 -12.260) 12.333 6.950 ( 5.625 0.071 -7.619) 9.471 7.191 ( -7.276 -1.077 8.315) 11.101 8.015 ( -0.599 -1.174 4.678) 4.860 8.400 ( 10.728 1.887 -8.853) 14.036 8.962 ( -21.032 -0.509 4.836) 21.587 9.214 ( 21.340 0.045 -0.283) 21.341 9.816 ( -8.971 0.584 0.996) 9.045 9.881 ( 4.111 -0.111 -1.881) 4.522 12.673 ( 1.666 -0.007 5.034) 5.303 12.708 ( -2.197 0.127 -4.246) 4.782 14.583 ( -1.950 -1.763 -6.963) 7.443 14.826 ( 3.688 0.376 8.456) 9.233 14.886 ( -5.056 0.591 -9.527) 10.802 15.183 ( 13.394 0.298 12.105) 18.056 16.208 ( -1.748 2.600 5.295) 6.152 16.270 ( 1.939 -2.578 -2.501) 4.081 17.235 ( 2.772 1.744 -3.839) 5.046 17.390 ( 3.562 -3.043 -5.367) 7.125 17.775 ( -7.631 -0.351 6.056) 9.748 18.092 ( -6.877 1.648 -3.212) 7.767======================= Grid point 25 (18/172) =======================q-point: (-0.60 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.473 ( 4.778 -5.007 -0.970) 6.988 1.558 ( -1.365 -3.236 -1.600) 3.859 1.613 ( -2.237 -0.413 6.018) 6.433 1.805 ( 0.286 3.390 2.171) 4.036 1.909 ( 0.491 -2.341 1.606) 2.881 2.109 ( -0.916 -0.578 -5.529) 5.634 2.252 ( 4.640 1.419 -3.837) 6.186 2.329 ( 1.993 5.751 -2.986) 6.780 2.430 ( 2.569 3.138 -3.050) 5.074 2.556 ( -2.498 2.294 0.443) 3.421 2.699 ( 4.912 -1.770 0.010) 5.221 2.776 ( -5.983 -4.323 2.561) 7.813 3.047 ( -2.336 5.846 0.333) 6.305 3.255 ( 0.440 -1.247 -3.506) 3.747 3.332 ( -6.194 0.595 0.756) 6.268 3.420 ( -3.103 1.139 -0.713) 3.381 3.502 ( -7.840 -0.594 0.534) 7.880 3.781 ( 5.229 0.686 2.223) 5.723 4.314 ( -13.938 0.366 5.593) 15.023 4.770 ( -0.184 -0.873 -5.629) 5.700 4.864 ( 4.319 -4.770 0.626) 6.465 4.954 ( 2.357 1.593 -5.591) 6.273 5.089 ( -13.314 0.100 1.947) 13.456 5.446 ( -8.982 -2.670 5.840) 11.042 5.639 ( 5.826 3.948 -9.662) 11.954 5.803 ( 1.228 -2.068 -6.614) 7.037 6.162 ( -3.422 -0.832 14.899) 15.309 6.280 ( -3.486 -1.812 -5.394) 6.673 6.999 ( 1.083 2.360 1.558) 3.029 7.190 ( 1.531 -5.144 2.819) 6.062 8.073 ( 5.799 -0.186 5.032) 7.680 8.466 ( -0.532 5.850 -4.537) 7.422 8.636 ( -16.162 -3.257 0.481) 16.494 9.507 ( 6.943 1.880 -2.251) 7.537 9.756 ( 8.925 -0.219 0.794) 8.963 9.984 ( 7.540 -0.296 -0.755) 7.583 12.658 ( -1.999 0.286 -3.864) 4.360 12.717 ( 1.800 -0.219 5.445) 5.739 14.552 ( -2.001 -1.959 -8.065) 8.537 14.782 ( -3.408 0.823 -9.032) 9.689 14.923 ( 5.074 -0.614 7.646) 9.197 15.440 ( 15.613 4.264 10.445) 19.263 16.136 ( -5.574 1.370 7.848) 9.724 16.288 ( -1.104 -1.211 -5.809) 6.036 17.216 ( -1.345 3.393 -4.012) 5.423 17.445 ( -0.363 -2.969 -4.361) 5.288 17.684 ( -5.494 -4.110 5.216) 8.619 17.993 ( -2.318 0.746 -0.557) 2.498======================= Grid point 26 (19/172) =======================q-point: (-0.50 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.485 ( -5.279 0.789 -2.740) 6.000 1.504 ( -8.151 5.572 6.093) 11.602 1.641 ( 4.559 -4.050 0.231) 6.102 1.792 ( 1.433 0.914 2.050) 2.663 1.928 ( -0.347 -2.414 -0.644) 2.522 2.070 ( -3.181 -4.253 -5.047) 7.326 2.303 ( 3.099 2.573 -2.409) 4.693 2.318 ( 3.095 8.145 -1.629) 8.864 2.442 ( -4.373 -0.389 -5.661) 7.164 2.533 ( 8.283 2.997 -0.950) 8.860 2.728 ( -0.679 0.227 1.801) 1.938 2.799 ( 0.332 0.234 2.027) 2.068 2.905 ( -6.286 3.949 1.726) 7.621 3.096 ( -16.778 0.806 4.980) 17.520 3.296 ( -3.870 0.321 -3.953) 5.541 3.347 ( -1.846 0.858 -0.940) 2.242 3.393 ( -3.538 -3.748 -6.224) 8.081 3.847 ( 1.794 1.779 2.356) 3.455 4.090 ( -11.661 -3.900 7.093) 14.194 4.696 ( -4.298 2.112 -10.934) 11.936 4.819 ( -8.863 0.385 -3.484) 9.531 5.009 ( 1.646 -2.325 0.865) 2.977 5.053 ( 6.015 -1.602 -3.206) 7.002 5.320 ( -8.855 -3.758 8.908) 13.111 5.651 ( 0.692 -0.628 -9.660) 9.705 5.861 ( 2.584 -0.106 -4.944) 5.579 6.158 ( -0.785 -1.971 5.698) 6.080 6.240 ( -2.984 -3.115 7.285) 8.466 6.997 ( -0.279 -0.333 5.615) 5.631 7.272 ( 1.113 -5.751 4.316) 7.276 8.216 ( 9.046 2.722 -4.757) 10.577 8.236 ( -15.196 0.199 3.473) 15.589 8.489 ( -6.138 3.787 -2.473) 7.624 9.486 ( -1.480 1.084 -0.185) 1.844 10.049 ( 18.955 1.803 -1.396) 19.092 10.144 ( 11.062 -1.171 -0.645) 11.142 12.618 ( -1.542 0.071 -3.249) 3.597 12.761 ( 1.974 -0.026 5.430) 5.778 14.512 ( -2.573 -1.110 -8.825) 9.260 14.716 ( -1.715 0.383 -7.777) 7.973 15.047 ( 6.561 -1.574 6.516) 9.380 15.659 ( 13.502 8.290 8.103) 17.795 16.032 ( -7.071 0.076 8.097) 10.751 16.236 ( -3.704 -0.099 -7.694) 8.540 17.115 ( -4.947 4.651 -3.673) 7.720 17.410 ( -2.796 1.351 0.379) 3.129 17.694 ( -3.254 -11.434 2.811) 12.216 17.999 ( 2.401 -0.952 0.378) 2.610======================= Grid point 27 (20/172) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.238 ( -11.459 12.203 -0.076) 16.740 1.305 ( -13.330 6.221 3.087) 15.030 1.750 ( 5.568 1.397 1.078) 5.841 1.862 ( 4.545 -3.543 -0.609) 5.795 1.942 ( -0.540 -3.209 -2.825) 4.309 2.042 ( -3.988 -1.258 -1.834) 4.566 2.266 ( 2.303 11.645 -2.289) 12.089 2.307 ( -4.307 0.895 -4.140) 6.041 2.340 ( -2.374 0.412 -2.169) 3.242 2.585 ( -5.834 3.305 4.047) 7.832 2.672 ( -5.961 -0.697 0.825) 6.058 2.747 ( -0.327 1.024 -1.910) 2.192 2.786 ( -9.069 1.815 4.164) 10.143 2.923 ( 2.450 -3.083 3.453) 5.238 3.138 ( -10.727 -1.732 3.555) 11.433 3.304 ( -2.920 -1.925 -6.889) 7.726 3.455 ( 6.753 0.476 -9.349) 11.543 3.824 ( -1.241 -1.290 0.602) 1.888 4.053 ( -0.331 -1.767 4.980) 5.294 4.575 ( -3.812 2.815 -9.903) 10.978 4.677 ( -6.374 -0.530 -0.475) 6.414 5.012 ( -6.297 -3.771 -0.695) 7.373 5.119 ( -1.372 -3.032 0.761) 3.414 5.322 ( 6.344 -1.586 6.450) 9.185 5.675 ( 2.737 -2.535 -7.604) 8.470 5.841 ( -2.933 -0.983 -5.780) 6.555 6.190 ( -0.105 -2.388 4.395) 5.003 6.236 ( -3.735 -3.058 8.313) 9.613 7.041 ( 1.653 -5.514 8.942) 10.634 7.360 ( 3.543 -3.115 7.066) 8.496 7.957 ( -15.685 -3.264 -9.481) 18.616 8.266 ( -9.009 6.033 -5.877) 12.333 8.372 ( 6.281 5.603 5.117) 9.850 9.479 ( 2.226 2.533 0.247) 3.381 10.278 ( 9.705 -0.734 0.329) 9.739 10.398 ( 16.176 1.701 -1.962) 16.383 12.593 ( -0.816 -0.094 -2.316) 2.457 12.805 ( 2.045 0.196 4.665) 5.098 14.449 ( -3.325 -0.176 -8.330) 8.971 14.685 ( -0.327 0.054 -5.941) 5.951 15.197 ( 6.967 -2.881 4.927) 9.006 15.762 ( 4.662 7.520 4.670) 10.005 15.944 ( -2.862 1.769 5.414) 6.375 16.157 ( -3.276 -0.299 -7.098) 7.823 16.977 ( -3.866 5.395 -3.392) 7.454 17.355 ( -1.361 3.086 1.699) 3.777 17.752 ( -4.848 -13.472 5.690) 15.407 18.073 ( 3.855 -2.371 -0.080) 4.527======================= Grid point 28 (21/172) =======================q-point: (-0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.922 ( -10.468 15.077 -3.567) 18.698 0.947 ( -17.254 12.126 5.733) 21.855 1.721 ( -1.333 24.438 -1.671) 24.531 1.906 ( 2.106 4.160 0.420) 4.682 1.952 ( -0.068 0.624 -2.212) 2.299 2.020 ( 1.606 -8.741 0.700) 8.915 2.157 ( -5.425 -3.156 -2.169) 6.640 2.252 ( -1.052 2.228 -2.797) 3.727 2.323 ( 1.839 1.795 -1.454) 2.952 2.430 ( -13.462 1.316 3.548) 13.984 2.505 ( -5.281 -3.491 3.575) 7.270 2.688 ( 0.369 -2.930 -3.353) 4.468 2.858 ( -0.319 -2.577 1.651) 3.077 2.996 ( 0.058 -3.617 3.136) 4.787 3.058 ( 1.950 -1.642 3.571) 4.388 3.264 ( -2.934 -3.214 -6.244) 7.611 3.530 ( 5.352 3.269 -5.596) 8.405 3.868 ( 4.500 -0.354 -3.741) 5.862 4.042 ( -1.589 2.474 0.149) 2.944 4.497 ( -1.068 4.106 -1.389) 4.464 4.622 ( -2.175 -4.322 -2.442) 5.420 4.908 ( -9.923 -9.392 5.208) 14.622 5.090 ( -2.434 1.486 4.047) 4.950 5.537 ( 14.899 -1.024 -2.593) 15.157 5.723 ( 0.010 -2.318 -3.792) 4.445 5.822 ( 0.367 -4.670 -7.317) 8.688 6.113 ( -12.207 -2.667 13.347) 18.283 6.247 ( 0.828 -1.954 -2.080) 2.971 7.202 ( 7.069 -8.491 11.449) 15.911 7.478 ( 6.650 -0.281 8.340) 10.671 7.718 ( -13.282 -3.977 -12.293) 18.530 7.980 ( -14.934 5.433 -5.663) 16.870 8.427 ( 4.648 7.349 2.113) 8.949 9.500 ( 2.980 4.143 0.277) 5.111 10.421 ( 5.446 -1.375 0.278) 5.624 10.603 ( 9.492 2.794 -0.807) 9.928 12.582 ( -0.226 -0.184 -1.212) 1.247 12.843 ( 1.664 0.356 2.937) 3.394 14.377 ( -2.946 0.436 -5.656) 6.393 14.675 ( 0.138 0.056 -3.507) 3.510 15.344 ( 5.061 -4.191 2.808) 7.146 15.727 ( -2.766 2.133 3.306) 4.809 15.930 ( 3.567 3.817 -2.624) 5.846 16.111 ( -1.765 -0.626 -2.313) 2.976 16.914 ( 3.805 4.813 -4.948) 7.882 17.311 ( -0.683 3.851 1.617) 4.232 17.761 ( -8.958 -10.353 9.468) 16.645 18.157 ( 2.692 -3.276 -0.480) 4.268======================= Grid point 29 (22/172) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.599 ( 0.000 16.427 -0.000) 16.427 0.683 ( 0.000 18.140 -0.000) 18.140 1.393 ( 0.000 36.260 -0.000) 36.260 1.916 ( 0.000 2.922 -0.000) 2.922 1.947 ( 0.000 1.464 -0.000) 1.464 2.091 ( -0.000 -6.040 0.000) 6.040 2.176 ( 0.000 0.371 -0.000) 0.371 2.191 ( -0.000 -3.918 0.000) 3.918 2.279 ( -0.000 -0.239 0.000) 0.239 2.392 ( 0.000 2.367 -0.000) 2.367 2.459 ( -0.000 -5.093 0.000) 5.093 2.752 ( -0.000 -5.582 0.000) 5.582 2.850 ( -0.000 -4.736 0.000) 4.736 3.034 ( -0.000 -2.972 0.000) 2.972 3.134 ( -0.000 -1.849 0.000) 1.849 3.249 ( -0.000 -3.046 0.000) 3.046 3.553 ( 0.000 2.228 -0.000) 2.228 3.902 ( 0.000 3.437 -0.000) 3.437 3.989 ( 0.000 3.047 -0.000) 3.047 4.445 ( 0.000 4.798 -0.000) 4.798 4.632 ( -0.000 -3.954 0.000) 3.954 4.948 ( -0.000 -14.351 0.000) 14.351 5.043 ( 0.000 4.038 -0.000) 4.038 5.730 ( -0.000 -1.842 0.000) 1.842 5.771 ( 0.000 0.259 -0.000) 0.259 5.824 ( -0.000 -5.999 0.000) 5.999 5.998 ( -0.000 -3.611 0.000) 3.611 6.268 ( -0.000 -1.977 0.000) 1.977 7.422 ( -0.000 -10.146 0.000) 10.146 7.552 ( -0.000 -0.794 0.000) 0.794 7.619 ( -0.000 -1.892 0.000) 1.892 7.698 ( 0.000 8.421 -0.000) 8.421 8.404 ( 0.000 7.044 -0.000) 7.044 9.491 ( 0.000 4.396 -0.000) 4.396 10.482 ( -0.000 -1.349 0.000) 1.349 10.658 ( 0.000 3.233 -0.000) 3.233 12.581 ( -0.000 -0.192 0.000) 0.192 12.860 ( 0.000 0.321 -0.000) 0.321 14.335 ( 0.000 0.875 -0.000) 0.875 14.672 ( 0.000 0.125 -0.000) 0.125 15.436 ( -0.000 -4.760 0.000) 4.760 15.686 ( 0.000 1.418 -0.000) 1.418 15.963 ( -0.000 -0.182 0.000) 0.182 16.094 ( -0.000 -0.408 0.000) 0.408 16.970 ( 0.000 0.175 -0.000) 0.175 17.269 ( 0.000 4.013 -0.000) 4.013 17.700 ( -0.000 -3.152 0.000) 3.152 18.212 ( -0.000 -3.376 0.000) 3.376======================= Grid point 34 (23/172) =======================q-point: ( 0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.421 ( 6.782 0.000 0.191) 6.784 1.526 ( -1.837 -0.000 -1.974) 2.697 1.606 ( -1.419 -0.000 5.212) 5.402 1.855 ( 0.322 0.000 1.480) 1.515 1.869 ( 1.592 0.000 2.893) 3.302 2.107 ( -1.927 -0.000 -5.718) 6.034 2.266 ( 4.180 0.000 -4.693) 6.285 2.399 ( 0.256 0.000 -0.926) 0.961 2.440 ( 5.122 0.000 -5.287) 7.361 2.583 ( -4.141 -0.000 -0.743) 4.207 2.701 ( 4.897 0.000 4.154) 6.421 2.712 ( -4.189 -0.000 0.296) 4.199 3.123 ( -0.316 -0.000 -1.104) 1.149 3.225 ( -2.172 -0.000 -1.427) 2.599 3.339 ( -4.611 -0.000 -1.270) 4.782 3.434 ( -3.434 -0.000 0.229) 3.442 3.499 ( -8.510 -0.000 0.672) 8.537 3.785 ( 5.148 0.000 2.213) 5.604 4.317 ( -16.675 -0.000 7.346) 18.221 4.750 ( 3.858 0.000 -6.934) 7.935 4.828 ( 3.120 0.000 0.426) 3.149 4.970 ( 2.847 0.000 -5.956) 6.601 5.089 ( -13.444 -0.000 0.516) 13.454 5.417 ( -8.874 -0.000 7.275) 11.475 5.730 ( -4.603 -0.000 -15.412) 16.085 5.732 ( 9.290 0.000 -2.086) 9.522 6.160 ( -4.571 -0.000 21.309) 21.794 6.259 ( -3.188 -0.000 -10.810) 11.270 7.032 ( 2.184 0.000 -2.511) 3.328 7.129 ( -0.579 -0.000 7.193) 7.216 8.072 ( 7.408 0.000 4.036) 8.436 8.543 ( 5.444 0.000 -5.844) 7.987 8.583 ( -21.840 -0.000 2.384) 21.970 9.524 ( 5.909 0.000 -1.882) 6.201 9.754 ( 10.144 0.000 0.549) 10.159 9.981 ( 7.073 0.000 -0.732) 7.111 12.661 ( -2.213 -0.000 -3.961) 4.537 12.715 ( 1.968 0.000 5.698) 6.028 14.534 ( -1.230 -0.000 -8.303) 8.394 14.790 ( -3.690 -0.000 -10.276) 10.919 14.917 ( 4.751 0.000 8.429) 9.676 15.479 ( 16.624 0.000 12.150) 20.591 16.153 ( -6.834 -0.000 10.753) 12.741 16.273 ( 0.078 0.000 -8.035) 8.035 17.262 ( 0.298 0.000 -5.206) 5.214 17.397 ( 0.328 0.000 -6.510) 6.518 17.651 ( -8.000 -0.000 7.298) 10.829 18.001 ( -3.217 -0.000 -0.918) 3.345======================= Grid point 35 (24/172) =======================q-point: (-0.60 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( -2.676 -0.075 -1.020) 2.865 1.547 ( 4.359 -2.010 -0.143) 4.802 1.579 ( -2.367 -0.248 5.500) 5.993 1.837 ( -0.484 3.332 1.093) 3.540 1.892 ( -0.603 -1.971 0.947) 2.268 2.020 ( -5.030 -1.405 -5.764) 7.778 2.337 ( 4.361 0.930 -2.765) 5.246 2.406 ( -1.547 0.201 -3.253) 3.608 2.428 ( -6.157 1.465 0.352) 6.338 2.571 ( 8.977 0.487 -3.760) 9.745 2.737 ( 3.295 0.673 0.563) 3.410 2.792 ( 3.945 -0.361 2.488) 4.678 3.029 ( -7.288 7.088 1.079) 10.223 3.101 ( -13.715 -0.964 3.018) 14.076 3.299 ( -0.741 0.176 -5.222) 5.277 3.335 ( -7.474 -2.071 2.779) 8.238 3.359 ( -4.510 0.075 -7.043) 8.363 3.873 ( 3.756 0.937 2.818) 4.788 4.021 ( -16.891 -2.824 7.751) 18.798 4.713 ( -4.463 0.342 -13.798) 14.506 4.837 ( -4.115 0.805 -5.798) 7.155 4.963 ( -0.413 -1.541 4.383) 4.665 5.045 ( 4.412 -0.183 -4.244) 6.125 5.268 ( -8.962 -1.694 10.569) 13.961 5.648 ( -1.207 0.186 -12.694) 12.753 5.860 ( 4.260 -0.157 -4.840) 6.449 6.141 ( -1.846 0.141 15.980) 16.087 6.189 ( -3.112 -2.199 -0.733) 3.880 6.993 ( -5.002 -0.150 3.545) 6.133 7.194 ( 4.145 -2.402 6.220) 7.851 8.219 ( -14.697 -0.355 -12.433) 19.254 8.267 ( 8.011 1.290 12.552) 14.946 8.543 ( -4.076 1.766 -4.112) 6.053 9.501 ( -1.172 0.459 0.253) 1.284 10.081 ( 20.116 1.460 -1.992) 20.267 10.122 ( 10.150 -1.194 -0.342) 10.226 12.619 ( -1.708 0.021 -3.248) 3.669 12.762 ( 2.169 0.030 5.676) 6.077 14.498 ( -1.453 -0.370 -9.401) 9.520 14.722 ( -1.998 0.167 -8.632) 8.861 15.026 ( 5.799 -0.658 7.302) 9.348 15.759 ( 13.467 2.795 11.407) 17.869 16.034 ( -8.592 0.093 9.665) 12.932 16.232 ( -3.091 -0.239 -8.310) 8.869 17.210 ( -2.639 5.045 -6.069) 8.321 17.398 ( -0.173 -2.963 -5.131) 5.928 17.544 ( -7.169 -4.047 7.711) 11.280 17.989 ( 1.471 -0.231 -0.046) 1.489======================= Grid point 36 (25/172) =======================q-point: (-0.50 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( -7.147 3.505 -0.812) 8.002 1.422 ( -9.049 7.182 4.271) 12.317 1.714 ( 7.670 -3.686 -0.443) 8.521 1.804 ( -0.625 -0.811 0.028) 1.024 1.896 ( -0.944 -2.075 0.058) 2.280 1.975 ( -2.439 -4.282 -3.319) 5.942 2.260 ( -9.183 -3.015 -2.093) 9.889 2.392 ( 4.670 2.975 -2.282) 5.988 2.436 ( 3.151 4.218 -1.232) 5.407 2.664 ( -0.669 0.464 -0.562) 0.990 2.717 ( -12.084 4.187 0.879) 12.819 2.794 ( 3.554 1.506 0.988) 3.984 2.831 ( -12.639 8.861 2.233) 15.596 2.891 ( -0.179 -0.052 4.260) 4.264 3.111 ( -11.989 -1.103 4.864) 12.985 3.269 ( -4.281 -1.433 -8.558) 9.676 3.460 ( 11.803 -0.643 -9.603) 15.230 3.796 ( -6.032 -1.749 3.776) 7.328 4.002 ( 3.008 -3.409 4.473) 6.378 4.575 ( -7.583 -1.247 -15.887) 17.648 4.721 ( -4.801 3.569 -1.832) 6.257 4.950 ( -10.029 -2.290 3.889) 10.997 5.054 ( 0.216 -3.905 3.379) 5.169 5.302 ( 8.721 -0.635 4.050) 9.636 5.637 ( 1.779 -1.613 -11.073) 11.330 5.837 ( -4.267 0.289 -5.864) 7.258 6.153 ( -2.472 -1.650 13.906) 14.221 6.189 ( -0.035 -1.799 1.991) 2.683 6.942 ( -2.996 -4.838 7.728) 9.598 7.321 ( 7.110 -1.214 6.753) 9.880 7.911 ( -16.716 -1.788 -7.344) 18.346 8.361 ( -11.079 4.049 -4.494) 12.623 8.457 ( 9.737 3.505 2.491) 10.644 9.519 ( 3.677 1.701 0.603) 4.096 10.266 ( 8.569 -0.483 0.388) 8.591 10.423 ( 17.411 0.996 -2.419) 17.606 12.591 ( -0.924 -0.067 -2.306) 2.485 12.809 ( 2.244 0.209 4.889) 5.384 14.448 ( -2.486 0.028 -9.111) 9.444 14.686 ( -0.442 0.057 -6.097) 6.113 15.153 ( 5.973 -1.846 5.612) 8.401 15.859 ( -3.480 3.691 7.724) 9.240 15.959 ( 0.879 -0.061 8.284) 8.331 16.153 ( -3.619 -0.102 -7.818) 8.615 17.083 ( -3.971 5.980 -4.667) 8.563 17.399 ( -0.317 1.675 0.937) 1.946 17.540 ( -1.901 -9.751 3.001) 10.378 18.039 ( 2.973 -1.361 0.102) 3.271======================= Grid point 37 (26/172) =======================q-point: (-0.40 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( -12.416 10.854 1.079) 16.527 1.187 ( -7.295 12.543 1.066) 14.549 1.815 ( 0.097 -6.594 2.703) 7.127 1.897 ( 3.151 -1.818 -1.268) 3.852 1.910 ( 3.881 -3.848 -3.372) 6.422 1.970 ( -2.394 -4.094 -0.976) 4.842 2.167 ( -3.299 -1.545 -2.080) 4.194 2.396 ( -4.842 4.379 0.860) 6.585 2.430 ( 0.350 13.768 -3.276) 14.157 2.453 ( -1.797 3.304 -0.963) 3.882 2.495 ( -10.982 7.160 4.514) 13.865 2.665 ( -2.498 0.279 -0.516) 2.566 2.806 ( -4.679 -3.081 2.396) 6.093 2.934 ( 1.338 -2.816 3.008) 4.332 3.032 ( 1.233 -1.192 4.623) 4.931 3.205 ( -3.661 -3.027 -7.961) 9.271 3.594 ( 4.935 3.595 -3.199) 6.893 3.847 ( 8.965 -2.469 -4.283) 10.238 4.069 ( 1.006 0.323 2.116) 2.365 4.472 ( -3.475 -7.286 -13.669) 15.875 4.614 ( -3.864 3.530 3.717) 6.419 4.766 ( -14.213 -5.163 8.209) 17.206 5.100 ( 1.066 -0.243 2.441) 2.674 5.513 ( 12.950 -1.518 0.709) 13.057 5.680 ( 2.352 -2.273 -10.706) 11.194 5.757 ( -2.659 -2.367 -5.876) 6.870 6.065 ( -12.211 -2.504 15.532) 19.915 6.224 ( 1.657 -0.507 -1.361) 2.203 7.035 ( 4.015 -9.161 9.325) 13.675 7.479 ( 8.747 0.235 6.768) 11.062 7.658 ( -12.601 -2.574 -9.000) 15.697 8.083 ( -13.707 5.292 -4.600) 15.397 8.553 ( 5.397 6.082 0.964) 8.188 9.569 ( 3.768 3.319 0.472) 5.044 10.399 ( 5.374 -1.055 0.297) 5.485 10.646 ( 9.838 1.884 -1.339) 10.105 12.579 ( -0.267 -0.151 -1.197) 1.236 12.850 ( 1.720 0.360 3.017) 3.492 14.386 ( -2.439 0.432 -5.910) 6.408 14.676 ( 0.213 0.059 -3.337) 3.344 15.275 ( 4.224 -3.248 3.158) 6.194 15.759 ( -4.585 1.492 4.104) 6.332 15.968 ( -0.705 0.920 1.754) 2.102 16.101 ( -1.624 -0.448 -2.881) 3.337 16.986 ( -0.895 3.214 -3.389) 4.756 17.373 ( -0.463 2.915 1.906) 3.514 17.610 ( -0.468 -6.566 2.864) 7.179 18.103 ( 2.110 -2.606 -0.005) 3.353======================= Grid point 38 (27/172) =======================q-point: (-0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.885 ( 0.000 15.322 -0.000) 15.322 0.990 ( 0.000 15.716 -0.000) 15.716 1.889 ( -0.000 -7.206 0.000) 7.206 1.928 ( 0.000 15.409 -0.000) 15.409 1.942 ( -0.000 -6.743 0.000) 6.743 1.964 ( -0.000 -0.460 0.000) 0.460 2.189 ( -0.000 -2.876 0.000) 2.876 2.199 ( 0.000 13.225 -0.000) 13.225 2.294 ( 0.000 0.792 -0.000) 0.792 2.405 ( 0.000 2.187 -0.000) 2.187 2.445 ( 0.000 3.615 -0.000) 3.615 2.670 ( -0.000 -3.695 0.000) 3.695 2.773 ( -0.000 -3.717 0.000) 3.717 2.978 ( -0.000 -3.108 0.000) 3.108 3.095 ( -0.000 -2.226 0.000) 2.226 3.182 ( -0.000 -3.970 0.000) 3.970 3.600 ( 0.000 2.743 -0.000) 2.743 3.964 ( 0.000 3.243 -0.000) 3.243 4.038 ( 0.000 2.280 -0.000) 2.280 4.509 ( -0.000 -1.087 0.000) 1.087 4.576 ( -0.000 -2.281 0.000) 2.281 4.681 ( -0.000 -11.702 0.000) 11.702 5.099 ( 0.000 2.193 -0.000) 2.193 5.688 ( -0.000 -3.412 0.000) 3.412 5.718 ( -0.000 -4.532 0.000) 4.532 5.773 ( -0.000 -0.154 0.000) 0.154 5.934 ( -0.000 -3.555 0.000) 3.555 6.241 ( -0.000 -0.780 0.000) 0.780 7.209 ( -0.000 -12.341 0.000) 12.341 7.527 ( -0.000 -1.510 0.000) 1.510 7.604 ( -0.000 -0.252 0.000) 0.252 7.853 ( 0.000 8.032 -0.000) 8.032 8.538 ( 0.000 7.369 -0.000) 7.369 9.571 ( 0.000 4.237 -0.000) 4.237 10.458 ( -0.000 -1.263 0.000) 1.263 10.711 ( 0.000 2.544 -0.000) 2.544 12.577 ( -0.000 -0.192 0.000) 0.192 12.866 ( 0.000 0.387 -0.000) 0.387 14.350 ( 0.000 0.729 -0.000) 0.729 14.675 ( 0.000 0.126 -0.000) 0.126 15.352 ( -0.000 -4.282 0.000) 4.282 15.710 ( 0.000 1.273 -0.000) 1.273 15.960 ( -0.000 -0.205 0.000) 0.205 16.086 ( -0.000 -0.427 0.000) 0.427 16.974 ( 0.000 0.187 -0.000) 0.187 17.340 ( 0.000 3.667 -0.000) 3.667 17.642 ( -0.000 -3.207 0.000) 3.207 18.150 ( -0.000 -3.355 0.000) 3.355======================= Grid point 45 (28/172) =======================q-point: (-0.60 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( -3.798 -0.000 -1.041) 3.938 1.484 ( -7.873 -0.000 5.822) 9.792 1.675 ( 8.893 0.000 -1.311) 8.989 1.845 ( -2.927 -0.000 0.561) 2.980 1.845 ( -2.363 -0.000 -1.488) 2.793 1.926 ( -3.090 -0.000 -3.153) 4.414 2.230 ( -8.803 -0.000 -0.362) 8.810 2.421 ( 5.294 0.000 -1.951) 5.642 2.466 ( 1.645 0.000 -0.839) 1.847 2.671 ( -1.045 -0.000 -1.792) 2.074 2.742 ( -11.231 -0.000 1.560) 11.339 2.782 ( -0.712 -0.000 -0.074) 0.716 2.897 ( -1.895 -0.000 3.996) 4.422 2.974 ( -5.441 -0.000 2.276) 5.898 3.102 ( -12.724 -0.000 5.554) 13.884 3.260 ( -4.821 -0.000 -8.436) 9.717 3.439 ( 14.684 0.000 -10.350) 17.965 3.776 ( -9.489 -0.000 5.965) 11.208 3.964 ( 4.672 0.000 2.768) 5.430 4.562 ( -9.443 -0.000 -17.221) 19.640 4.759 ( -3.673 -0.000 -4.112) 5.514 4.934 ( -14.201 -0.000 7.875) 16.239 5.009 ( 4.099 0.000 3.188) 5.193 5.297 ( 9.051 0.000 3.340) 9.648 5.622 ( 1.344 0.000 -12.324) 12.397 5.841 ( -4.760 -0.000 -6.327) 7.918 6.137 ( -4.566 -0.000 19.614) 20.139 6.174 ( 2.913 0.000 -2.248) 3.680 6.894 ( -4.782 -0.000 7.371) 8.787 7.311 ( 8.301 0.000 6.528) 10.560 7.895 ( -16.996 -0.000 -6.550) 18.214 8.399 ( -12.031 -0.000 -4.073) 12.702 8.490 ( 11.173 0.000 1.717) 11.304 9.535 ( 4.176 0.000 0.719) 4.238 10.262 ( 8.208 0.000 0.417) 8.218 10.432 ( 17.754 0.000 -2.545) 17.935 12.590 ( -0.960 -0.000 -2.305) 2.497 12.812 ( 2.300 0.000 4.973) 5.479 14.449 ( -2.188 -0.000 -9.460) 9.710 14.687 ( -0.496 -0.000 -6.178) 6.198 15.135 ( 5.641 0.000 5.869) 8.140 15.895 ( -8.683 -0.000 7.874) 11.721 15.953 ( 4.501 0.000 10.138) 11.092 16.152 ( -3.662 -0.000 -8.009) 8.806 17.153 ( -6.283 -0.000 -4.787) 7.899 17.410 ( 5.193 0.000 -4.704) 7.007 17.440 ( -3.696 -0.000 7.083) 7.990 18.026 ( 2.581 0.000 0.249) 2.593======================= Grid point 47 (29/172) =======================q-point: (-0.50 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.308 ( -7.170 6.433 1.328) 9.724 1.343 ( -6.127 3.634 1.466) 7.273 1.729 ( -5.459 -1.499 1.611) 5.885 1.834 ( -1.334 -3.442 -1.856) 4.132 1.860 ( 9.583 -2.207 -3.402) 10.406 1.900 ( -0.986 -2.412 -0.967) 2.779 2.132 ( -4.563 -1.175 1.287) 4.885 2.429 ( -13.098 0.593 1.098) 13.157 2.474 ( 0.039 -0.062 -0.639) 0.643 2.501 ( 4.353 2.168 -1.875) 5.212 2.675 ( -5.499 2.308 -0.524) 5.987 2.733 ( -3.322 -2.026 -0.499) 3.923 2.840 ( -4.179 11.180 2.949) 12.294 2.904 ( 0.468 -0.648 3.437) 3.529 3.019 ( 0.811 -0.135 5.807) 5.865 3.168 ( -4.154 -0.866 -8.848) 9.813 3.656 ( 2.468 3.544 -0.256) 4.326 3.766 ( 13.385 -5.995 -4.341) 15.296 4.055 ( 4.116 -1.133 2.461) 4.927 4.357 ( -10.958 -3.638 -16.753) 20.346 4.672 ( -9.368 2.457 8.357) 12.792 4.715 ( -7.962 -1.516 3.467) 8.815 5.091 ( 3.694 -0.470 1.861) 4.163 5.489 ( 10.634 -0.831 3.226) 11.143 5.651 ( 5.035 -0.793 -16.629) 17.393 5.732 ( -5.304 -0.652 -4.142) 6.761 6.031 ( -12.175 -1.087 17.129) 21.043 6.224 ( 2.476 0.232 -1.276) 2.796 6.909 ( 2.348 -4.033 8.344) 9.561 7.483 ( 9.603 0.157 5.837) 11.239 7.627 ( -12.230 -0.843 -7.082) 14.158 8.152 ( -13.294 2.024 -4.136) 14.069 8.631 ( 5.867 2.338 0.495) 6.335 9.611 ( 4.162 1.258 0.575) 4.385 10.385 ( 5.312 -0.398 0.330) 5.337 10.668 ( 9.949 0.635 -1.533) 10.086 12.577 ( -0.289 -0.057 -1.193) 1.229 12.855 ( 1.730 0.152 3.066) 3.523 14.391 ( -2.254 0.166 -6.230) 6.628 14.677 ( 0.252 0.024 -3.255) 3.265 15.234 ( 3.831 -1.214 3.400) 5.264 15.779 ( -5.352 0.577 4.411) 6.959 15.975 ( -1.940 0.095 3.966) 4.416 16.096 ( -1.600 -0.151 -3.533) 3.881 17.027 ( -5.103 1.274 -1.727) 5.535 17.411 ( -0.617 1.180 2.703) 3.013 17.527 ( 5.314 -2.564 -1.614) 6.117 18.070 ( 1.707 -0.984 0.358) 2.003======================= Grid point 48 (30/172) =======================q-point: (-0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( 0.000 12.188 -0.000) 12.188 1.225 ( 0.000 9.620 -0.000) 9.620 1.725 ( -0.000 -8.139 0.000) 8.139 1.855 ( -0.000 -3.913 0.000) 3.913 1.915 ( -0.000 -3.474 0.000) 3.474 2.010 ( 0.000 1.296 -0.000) 1.296 2.084 ( -0.000 -6.810 0.000) 6.810 2.299 ( 0.000 0.268 -0.000) 0.268 2.469 ( 0.000 4.084 -0.000) 4.084 2.501 ( 0.000 5.651 -0.000) 5.651 2.614 ( -0.000 -2.501 0.000) 2.501 2.644 ( 0.000 20.269 -0.000) 20.269 2.721 ( -0.000 -1.316 0.000) 1.316 2.929 ( -0.000 -2.113 0.000) 2.113 3.064 ( -0.000 -0.959 0.000) 0.959 3.120 ( -0.000 -2.691 0.000) 2.691 3.642 ( 0.000 1.694 -0.000) 1.694 4.006 ( 0.000 0.810 -0.000) 0.810 4.068 ( 0.000 1.087 -0.000) 1.087 4.296 ( -0.000 -14.741 0.000) 14.741 4.548 ( -0.000 -0.845 0.000) 0.845 4.659 ( 0.000 2.723 -0.000) 2.723 5.125 ( 0.000 0.815 -0.000) 0.815 5.612 ( -0.000 -3.629 0.000) 3.629 5.677 ( -0.000 -1.088 0.000) 1.088 5.767 ( -0.000 -0.398 0.000) 0.398 5.876 ( -0.000 -2.568 0.000) 2.568 6.240 ( 0.000 0.491 -0.000) 0.491 7.015 ( -0.000 -8.386 0.000) 8.386 7.505 ( -0.000 -0.877 0.000) 0.877 7.603 ( 0.000 0.061 -0.000) 0.061 7.968 ( 0.000 4.505 -0.000) 4.505 8.650 ( 0.000 4.626 -0.000) 4.626 9.634 ( 0.000 2.569 -0.000) 2.569 10.439 ( -0.000 -0.771 0.000) 0.771 10.746 ( 0.000 1.300 -0.000) 1.300 12.575 ( -0.000 -0.119 0.000) 0.119 12.872 ( 0.000 0.274 -0.000) 0.274 14.360 ( 0.000 0.377 -0.000) 0.377 14.676 ( 0.000 0.078 -0.000) 0.078 15.290 ( -0.000 -2.505 0.000) 2.505 15.729 ( 0.000 0.796 -0.000) 0.796 15.956 ( -0.000 -0.160 0.000) 0.160 16.080 ( -0.000 -0.274 0.000) 0.274 16.977 ( 0.000 0.122 -0.000) 0.122 17.394 ( 0.000 2.153 -0.000) 2.153 17.593 ( -0.000 -2.037 0.000) 2.037 18.099 ( -0.000 -2.062 0.000) 2.062======================= Grid point 58 (31/172) =======================q-point: ( 0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.282 ( -0.000 -0.000 0.000) 0.000 1.296 ( 0.000 0.000 -0.000) 0.000 1.643 ( 0.000 0.000 -0.000) 0.000 1.818 ( 0.000 0.000 -0.000) 0.000 1.880 ( 0.000 0.000 -0.000) 0.000 2.008 ( 0.000 0.000 -0.000) 0.000 2.021 ( 0.000 0.000 -0.000) 0.000 2.302 ( 0.000 0.000 -0.000) 0.000 2.501 ( 0.000 0.000 -0.000) 0.000 2.564 ( -0.000 -0.000 0.000) 0.000 2.582 ( 0.000 0.000 -0.000) 0.000 2.695 ( 0.000 0.000 -0.000) 0.000 2.871 ( 0.000 0.000 -0.000) 0.000 2.908 ( -0.000 -0.000 0.000) 0.000 3.063 ( 0.000 0.000 -0.000) 0.000 3.094 ( 0.000 0.000 -0.000) 0.000 3.657 ( 0.000 0.000 -0.000) 0.000 3.992 ( 0.000 0.000 -0.000) 0.000 4.078 ( 0.000 0.000 -0.000) 0.000 4.154 ( 0.000 0.000 -0.000) 0.000 4.542 ( 0.000 0.000 -0.000) 0.000 4.687 ( 0.000 0.000 -0.000) 0.000 5.132 ( 0.000 0.000 -0.000) 0.000 5.578 ( 0.000 0.000 -0.000) 0.000 5.668 ( 0.000 0.000 -0.000) 0.000 5.763 ( 0.000 0.000 -0.000) 0.000 5.851 ( 0.000 0.000 -0.000) 0.000 6.247 ( 0.000 0.000 -0.000) 0.000 6.935 ( 0.000 0.000 -0.000) 0.000 7.497 ( 0.000 0.000 -0.000) 0.000 7.604 ( 0.000 0.000 -0.000) 0.000 8.009 ( 0.000 0.000 -0.000) 0.000 8.693 ( 0.000 0.000 -0.000) 0.000 9.657 ( 0.000 0.000 -0.000) 0.000 10.432 ( 0.000 0.000 -0.000) 0.000 10.757 ( 0.000 0.000 -0.000) 0.000 12.574 ( 0.000 0.000 -0.000) 0.000 12.875 ( 0.000 0.000 -0.000) 0.000 14.364 ( 0.000 0.000 -0.000) 0.000 14.677 ( 0.000 0.000 -0.000) 0.000 15.267 ( 0.000 0.000 -0.000) 0.000 15.737 ( 0.000 0.000 -0.000) 0.000 15.955 ( 0.000 0.000 -0.000) 0.000 16.077 ( 0.000 0.000 -0.000) 0.000 16.978 ( 0.000 0.000 -0.000) 0.000 17.414 ( 0.000 0.000 -0.000) 0.000 17.574 ( 0.000 0.000 -0.000) 0.000 18.080 ( 0.000 0.000 -0.000) 0.000======================= Grid point 105 (32/172) =======================q-point: ( 0.00 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.419 ( -1.240 -0.000 19.417) 19.457 0.492 ( -1.290 -0.000 22.118) 22.156 0.900 ( -2.883 -0.000 39.925) 40.029 1.719 ( 0.089 0.000 -6.804) 6.805 1.782 ( 2.281 0.000 -7.509) 7.848 2.153 ( -3.135 -0.000 2.519) 4.022 2.257 ( -1.089 -0.000 -0.767) 1.332 2.263 ( -0.895 -0.000 1.828) 2.035 2.335 ( 3.745 0.000 -0.542) 3.784 2.366 ( 2.605 0.000 1.368) 2.943 2.617 ( 10.527 0.000 -2.097) 10.734 2.884 ( 2.217 0.000 -2.815) 3.584 2.959 ( -1.818 -0.000 -1.524) 2.372 3.074 ( -3.741 -0.000 -2.120) 4.300 3.153 ( -2.668 -0.000 0.913) 2.820 3.198 ( 1.440 0.000 -0.247) 1.461 3.363 ( 7.463 0.000 3.018) 8.050 3.876 ( 2.405 0.000 -5.387) 5.900 4.106 ( 8.617 0.000 6.754) 10.948 4.310 ( -4.444 -0.000 -1.328) 4.638 4.877 ( -9.114 -0.000 6.925) 11.447 4.988 ( -2.191 -0.000 9.796) 10.038 5.141 ( -8.167 -0.000 -2.727) 8.610 5.524 ( 7.820 0.000 -14.602) 16.564 5.749 ( 2.771 0.000 -0.871) 2.904 5.890 ( -0.148 -0.000 -1.188) 1.197 6.286 ( -7.796 -0.000 13.611) 15.686 6.393 ( 7.543 0.000 -3.172) 8.183 7.224 ( -6.810 -0.000 -22.660) 23.662 7.300 ( -1.985 -0.000 -9.252) 9.462 7.673 ( -2.195 -0.000 6.353) 6.721 7.915 ( 11.243 0.000 4.384) 12.067 8.406 ( -4.479 -0.000 11.870) 12.687 9.350 ( 0.925 0.000 -4.355) 4.452 10.535 ( -0.317 -0.000 1.692) 1.722 10.744 ( -9.185 -0.000 -1.560) 9.317 12.604 ( 1.470 0.000 1.709) 2.254 12.838 ( -2.227 -0.000 -1.426) 2.645 14.403 ( 6.408 0.000 1.047) 6.493 14.694 ( -1.761 -0.000 -2.351) 2.937 15.610 ( -5.849 -0.000 5.224) 7.842 15.687 ( -2.754 -0.000 3.652) 4.574 16.101 ( 4.402 0.000 -0.241) 4.409 16.130 ( 89.762 0.000 -0.718) 89.765 16.598 ( -1.853 -0.000 -1.829) 2.604 17.059 ( -14.061 -0.000 -9.732) 17.100 17.848 ( -69.175 -0.000 7.248) 69.554 18.272 ( 3.249 0.000 -1.058) 3.417======================= Grid point 106 (33/172) =======================q-point: ( 0.10 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.582 ( 8.148 -10.995 14.318) 19.806 0.705 ( 14.960 -3.510 15.773) 22.021 1.183 ( 19.550 -7.918 28.494) 35.451 1.731 ( 1.727 -2.453 -6.198) 6.886 1.770 ( -3.185 -2.283 -5.140) 6.463 2.205 ( 0.798 1.325 -3.488) 3.815 2.229 ( 5.775 -0.080 -1.118) 5.883 2.281 ( 3.946 0.823 1.075) 4.171 2.359 ( -0.544 0.793 1.641) 1.902 2.386 ( 3.114 0.490 2.491) 4.018 2.772 ( 4.287 8.504 4.301) 10.450 2.887 ( -2.326 2.132 -2.285) 3.896 2.896 ( 0.803 0.607 -1.894) 2.145 3.005 ( -5.611 -1.478 -1.148) 5.915 3.104 ( 0.084 0.902 -1.903) 2.108 3.264 ( 2.642 -3.218 -0.311) 4.176 3.503 ( 7.445 -1.737 -5.107) 9.193 3.895 ( -0.638 -1.435 -4.871) 5.118 4.103 ( -6.690 7.215 1.549) 9.960 4.312 ( 4.797 -6.847 7.601) 11.299 4.806 ( 1.698 3.543 2.182) 4.494 4.947 ( -2.850 -2.699 2.457) 4.631 5.136 ( 6.519 1.886 8.066) 10.541 5.478 ( -9.645 -2.055 -7.079) 12.139 5.817 ( 5.010 1.203 1.707) 5.428 5.952 ( 5.047 -0.235 -9.040) 10.356 6.213 ( -3.136 0.855 15.296) 15.638 6.420 ( -0.953 1.828 1.357) 2.468 7.104 ( -0.311 3.385 -20.499) 20.779 7.243 ( -4.922 1.380 -8.668) 10.063 7.790 ( 11.399 -1.758 -6.244) 13.115 8.101 ( 9.485 2.961 0.100) 9.937 8.350 ( -5.006 -2.703 14.540) 15.614 9.363 ( 1.489 -0.544 -4.116) 4.411 10.479 ( -6.055 0.927 1.368) 6.277 10.546 ( -12.110 -1.194 3.104) 12.558 12.631 ( 1.322 0.103 2.878) 3.168 12.787 ( -2.366 1.216 -2.924) 3.953 14.503 ( 5.560 1.073 2.706) 6.276 14.675 ( -1.711 -3.864 -3.786) 5.674 15.446 ( -11.510 1.716 0.495) 11.648 15.684 ( 0.947 -0.482 2.029) 2.291 16.156 ( -5.548 9.234 7.624) 13.197 16.295 ( -22.901 2.418 19.510) 30.182 16.690 ( -4.903 -10.102 -1.611) 11.343 17.275 ( -6.421 -1.677 10.997) 12.845 17.386 ( 43.641 -0.200 -33.165) 54.813 18.295 ( -1.247 -0.447 1.582) 2.063======================= Grid point 107 (34/172) =======================q-point: ( 0.20 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.877 ( 10.055 -12.300 9.530) 18.526 1.025 ( 13.730 -5.869 9.511) 17.704 1.628 ( 10.101 -4.497 9.843) 14.803 1.726 ( 2.032 -4.302 -1.155) 4.896 1.848 ( 8.811 -6.750 -0.853) 11.132 2.165 ( -5.539 3.182 1.387) 6.537 2.210 ( 0.971 -1.257 -5.767) 5.981 2.342 ( 0.077 2.569 2.736) 3.754 2.413 ( 3.377 1.574 4.045) 5.499 2.567 ( 16.811 -0.473 -5.866) 17.812 2.735 ( 1.876 6.934 2.342) 7.555 2.782 ( -6.699 1.363 3.328) 7.603 2.867 ( -2.167 1.586 1.078) 2.893 2.928 ( -3.229 0.310 -4.225) 5.327 3.157 ( 6.453 1.649 -0.315) 6.668 3.311 ( -0.485 -3.011 0.298) 3.064 3.643 ( 8.118 0.945 -0.340) 8.180 3.853 ( -4.604 -2.169 -4.543) 6.822 3.961 ( -2.178 2.779 -6.173) 7.111 4.509 ( 9.129 -4.955 11.479) 15.481 4.801 ( 1.563 4.751 0.204) 5.005 5.011 ( 3.750 -4.635 0.159) 5.964 5.229 ( -0.205 3.397 -0.720) 3.478 5.332 ( 0.128 1.126 2.025) 2.321 5.851 ( -0.301 4.252 -2.459) 4.921 5.999 ( 3.147 -2.678 2.437) 4.797 6.210 ( -0.499 1.845 8.685) 8.893 6.369 ( -3.359 2.147 2.971) 4.972 7.001 ( -4.451 6.455 -8.334) 11.442 7.216 ( 7.398 -0.439 -16.262) 17.871 7.971 ( 7.532 -4.287 -7.480) 11.448 8.091 ( -7.788 -0.078 -1.992) 8.039 8.429 ( 8.642 -0.141 13.142) 15.729 9.397 ( 3.098 0.148 -3.800) 4.905 10.301 ( -14.471 -0.013 1.473) 14.546 10.361 ( -11.168 -1.105 0.710) 11.245 12.661 ( 1.529 0.105 3.786) 4.084 12.730 ( -2.003 1.356 -3.927) 4.613 14.588 ( 3.950 0.085 2.630) 4.747 14.688 ( -0.601 -5.129 -3.058) 6.001 15.220 ( -11.831 1.944 -2.929) 12.342 15.630 ( -13.737 -1.282 14.073) 19.708 15.868 ( -2.512 0.035 6.522) 6.989 16.324 ( 4.162 -1.244 8.249) 9.323 16.802 ( 8.368 -3.212 -2.916) 9.426 17.249 ( -1.302 -2.670 4.413) 5.320 17.796 ( 18.339 7.710 -23.906) 31.101 18.243 ( -5.113 0.680 3.588) 6.284======================= Grid point 108 (35/172) =======================q-point: ( 0.30 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( 9.109 -10.274 5.277) 14.710 1.312 ( 10.698 -7.913 4.722) 14.120 1.651 ( -0.062 0.546 -1.879) 1.958 1.846 ( 1.558 -6.239 1.168) 6.536 1.998 ( -4.506 3.780 0.577) 5.910 2.106 ( 1.563 -4.502 4.824) 6.781 2.268 ( 2.809 -3.156 -3.951) 5.784 2.333 ( 2.284 4.180 3.847) 6.123 2.440 ( 2.323 1.940 2.215) 3.751 2.578 ( -9.022 2.325 2.377) 9.615 2.712 ( -2.730 -1.247 3.179) 4.372 2.826 ( 7.167 3.195 -2.448) 8.220 2.883 ( 2.197 1.451 -3.075) 4.049 2.957 ( 14.418 0.888 -4.380) 15.095 3.265 ( 6.765 0.655 -2.545) 7.258 3.308 ( -3.156 -4.210 1.386) 5.441 3.679 ( -1.487 2.814 1.782) 3.647 3.769 ( -5.774 -0.265 -1.381) 5.942 4.041 ( 14.400 1.823 -7.612) 16.390 4.713 ( 4.475 -3.760 9.101) 10.816 4.822 ( 6.618 0.515 -1.276) 6.760 5.011 ( -8.978 -2.458 1.639) 9.452 5.169 ( 2.466 2.840 -4.243) 5.670 5.437 ( 9.225 4.968 2.995) 10.898 5.790 ( -0.534 2.241 -2.881) 3.689 6.058 ( -3.708 2.080 8.162) 9.203 6.178 ( -2.509 0.836 6.045) 6.598 6.308 ( 0.576 -0.458 2.205) 2.324 6.871 ( -3.845 1.703 -3.272) 5.329 7.377 ( 14.762 4.989 -13.495) 20.614 7.893 ( -12.953 -2.085 -2.706) 13.396 8.121 ( 3.781 -7.943 -6.243) 10.787 8.627 ( 12.283 2.392 8.482) 15.118 9.451 ( 4.045 0.552 -2.726) 4.909 10.014 ( -18.934 -1.294 1.368) 19.027 10.172 ( -10.897 0.366 -0.623) 10.920 12.676 ( -1.463 1.103 -3.368) 3.834 12.701 ( 1.778 0.089 3.605) 4.021 14.630 ( -1.310 -4.508 -3.425) 5.811 14.743 ( 3.702 -0.680 2.200) 4.360 15.007 ( -9.963 1.625 -4.590) 11.090 15.440 ( -11.435 -2.712 14.511) 18.673 15.927 ( 5.945 1.228 -2.901) 6.728 16.415 ( 3.115 -0.810 9.408) 9.943 16.986 ( 9.473 -2.851 -1.876) 10.069 17.280 ( 1.192 -3.275 0.952) 3.613 17.898 ( 7.791 8.125 -14.442) 18.311 18.128 ( -7.469 1.673 4.596) 8.928======================= Grid point 109 (36/172) =======================q-point: ( 0.40 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.380 ( 6.152 -7.250 0.166) 9.509 1.542 ( 6.260 -7.282 2.350) 9.886 1.658 ( 2.653 1.668 0.289) 3.147 1.843 ( -2.662 5.104 2.155) 6.147 1.955 ( 0.133 -5.214 1.436) 5.410 2.110 ( -4.078 -1.998 0.965) 4.642 2.253 ( -1.845 2.344 -1.337) 3.269 2.335 ( -2.615 -0.420 1.458) 3.024 2.400 ( -8.840 1.351 2.014) 9.166 2.485 ( 3.887 3.080 2.923) 5.757 2.690 ( -1.742 -3.406 -0.250) 3.833 2.917 ( 4.981 2.547 0.780) 5.648 2.950 ( 6.279 1.123 -1.636) 6.585 3.167 ( 7.670 -2.377 -5.671) 9.830 3.263 ( -1.407 -1.030 -0.250) 1.762 3.383 ( 4.759 -0.475 -2.148) 5.242 3.627 ( -2.255 0.484 -3.459) 4.157 3.679 ( -2.569 1.608 1.341) 3.314 4.264 ( 11.860 2.789 -4.010) 12.827 4.771 ( 2.239 -0.767 -1.540) 2.824 4.871 ( -7.185 -1.061 -0.041) 7.263 4.995 ( 5.296 -6.138 5.256) 9.662 5.183 ( 5.035 5.321 0.667) 7.356 5.528 ( 5.795 4.784 -0.440) 7.527 5.793 ( -0.760 -1.315 1.171) 1.918 5.864 ( -11.391 4.672 0.892) 12.344 6.102 ( -5.977 -0.592 5.659) 8.252 6.450 ( 9.442 -1.904 7.381) 12.135 6.831 ( -0.444 -1.201 -0.372) 1.333 7.487 ( 1.137 6.593 4.517) 8.073 7.758 ( 1.993 -1.548 -17.056) 17.242 8.220 ( 0.289 -7.925 -5.348) 9.565 8.836 ( 13.783 3.867 4.587) 15.032 9.471 ( -6.398 -1.508 2.024) 6.878 9.740 ( -8.566 0.239 -2.015) 8.803 9.989 ( -9.305 0.218 -1.219) 9.387 12.634 ( -1.389 0.936 -3.920) 4.263 12.746 ( 2.190 -0.098 4.776) 5.255 14.621 ( -4.284 -6.599 -6.952) 10.500 14.808 ( 1.556 2.274 -2.528) 3.739 14.843 ( -3.975 1.668 1.029) 4.432 15.347 ( -4.191 -0.480 12.018) 12.737 16.002 ( 5.006 1.795 -5.203) 7.440 16.473 ( 0.554 -0.248 9.518) 9.537 17.142 ( 5.082 -2.883 0.161) 5.845 17.357 ( 4.088 -4.039 -2.017) 6.090 17.898 ( 2.288 6.889 -7.345) 10.326 17.996 ( -5.906 0.664 3.834) 7.073======================= Grid point 110 (37/172) =======================q-point: (-0.50 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( 1.998 -4.215 -3.159) 5.634 1.603 ( -0.359 3.105 0.575) 3.178 1.739 ( 4.066 0.655 3.672) 5.517 1.780 ( 0.315 3.202 2.399) 4.013 1.968 ( -4.704 4.019 1.020) 6.270 2.042 ( -2.205 -3.019 1.293) 3.955 2.193 ( -3.721 -1.464 -0.775) 4.073 2.291 ( -4.072 -2.505 0.894) 4.864 2.304 ( -1.082 -1.876 -0.370) 2.197 2.519 ( 2.082 1.608 1.716) 3.140 2.710 ( 0.588 -1.382 -1.114) 1.870 2.932 ( -1.236 1.416 2.426) 3.069 3.022 ( 4.200 1.718 -1.368) 4.740 3.182 ( -4.748 -5.274 0.124) 7.098 3.336 ( 4.378 0.675 -4.500) 6.315 3.421 ( 1.178 -0.139 -3.249) 3.459 3.574 ( -2.700 -0.375 -5.274) 5.937 3.677 ( 2.619 1.925 3.038) 4.449 4.324 ( -0.170 2.952 -5.548) 6.287 4.722 ( -6.368 1.779 -3.321) 7.399 4.844 ( 0.535 0.734 -0.046) 0.910 5.112 ( 1.658 -7.461 6.637) 10.123 5.293 ( 9.734 1.213 -0.108) 9.810 5.521 ( -8.040 3.885 0.454) 8.941 5.618 ( -3.533 0.335 5.473) 6.523 5.830 ( -2.286 -3.640 -0.978) 4.408 6.042 ( -1.093 -0.017 -0.528) 1.214 6.613 ( 4.336 -0.954 13.601) 14.307 6.873 ( 4.327 -1.690 -3.309) 5.704 7.395 ( -4.261 2.408 11.175) 12.200 7.870 ( 11.902 3.824 -17.568) 21.562 8.239 ( -4.144 -5.698 -6.084) 9.309 9.029 ( 8.169 3.393 2.341) 9.150 9.236 ( -14.565 -0.969 2.937) 14.890 9.762 ( 6.341 0.326 -2.759) 6.923 9.869 ( -3.089 -0.973 -1.204) 3.455 12.598 ( -1.119 0.719 -3.449) 3.697 12.794 ( 2.011 -0.211 4.859) 5.263 14.574 ( -6.038 -6.245 -8.670) 12.273 14.704 ( -4.660 0.927 -5.905) 7.579 14.888 ( 5.815 4.685 4.130) 8.533 15.338 ( 1.507 3.182 10.943) 11.496 16.046 ( 2.831 1.077 -6.013) 6.732 16.465 ( -3.433 0.901 8.935) 9.614 17.207 ( -0.358 -2.578 1.531) 3.019 17.455 ( 2.393 -3.596 -3.148) 5.345 17.806 ( -3.067 5.283 -0.488) 6.128 18.001 ( 3.662 -3.312 0.079) 4.938======================= Grid point 111 (38/172) =======================q-point: (-0.40 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( -7.067 6.690 1.381) 9.829 1.548 ( -2.255 6.256 -3.528) 7.528 1.719 ( -5.992 2.865 7.859) 10.290 1.785 ( 4.589 3.208 -0.148) 5.600 1.844 ( -1.951 1.666 -1.076) 2.782 2.051 ( 0.938 3.012 2.117) 3.799 2.177 ( -2.251 -6.229 -2.789) 7.186 2.294 ( -0.217 -3.863 0.511) 3.903 2.324 ( -0.405 -4.729 -1.185) 4.892 2.537 ( 0.517 -0.021 2.411) 2.465 2.694 ( -0.414 3.374 -2.075) 3.982 2.923 ( -1.153 -3.871 2.782) 4.904 3.070 ( 4.190 1.932 -3.559) 5.827 3.119 ( -8.188 -3.827 1.914) 9.238 3.334 ( -0.993 -0.058 -4.840) 4.941 3.419 ( -4.898 -1.754 1.143) 5.327 3.503 ( -5.078 0.474 -2.209) 5.558 3.726 ( 4.876 2.523 -0.994) 5.579 4.232 ( -4.913 2.979 -6.908) 8.985 4.585 ( -5.937 3.035 0.698) 6.704 4.787 ( -3.361 0.979 -6.277) 7.187 5.195 ( -1.640 -4.106 3.769) 5.809 5.305 ( -13.788 -5.072 6.982) 16.266 5.464 ( 8.151 -2.798 5.380) 10.159 5.646 ( 2.449 0.248 -0.893) 2.619 5.812 ( -2.704 -4.331 -0.767) 5.163 6.059 ( 3.470 1.591 -3.584) 5.236 6.664 ( -1.403 -0.390 16.648) 16.712 6.988 ( 7.426 -1.927 -5.365) 9.362 7.386 ( 2.364 1.952 10.674) 11.106 7.972 ( 7.799 5.986 -14.216) 17.285 8.159 ( -8.559 -4.871 -8.379) 12.930 8.850 ( -18.404 -1.504 9.509) 20.770 9.272 ( 10.248 5.038 -6.527) 13.153 9.833 ( 4.968 -2.402 1.391) 5.691 9.967 ( 10.625 -0.525 -1.997) 10.824 12.570 ( -0.700 0.533 -2.754) 2.892 12.836 ( 1.498 -0.348 4.426) 4.685 14.495 ( -6.481 -4.461 -9.078) 12.013 14.630 ( -2.015 0.631 -4.050) 4.568 14.957 ( 7.438 7.211 2.185) 10.588 15.367 ( 3.911 5.586 10.015) 12.116 16.063 ( 1.093 -0.245 -5.920) 6.025 16.370 ( -7.936 1.920 8.205) 11.576 17.185 ( -5.198 -2.247 2.560) 6.215 17.447 ( -4.577 0.218 -0.688) 4.634 17.779 ( 4.197 0.881 -3.918) 5.809 18.147 ( 6.531 -7.701 1.916) 10.278======================= Grid point 112 (39/172) =======================q-point: (-0.30 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.212 ( -10.996 11.766 5.793) 17.115 1.288 ( -13.694 13.237 0.061) 19.046 1.684 ( -1.457 -1.608 4.805) 5.272 1.787 ( -1.312 4.003 -1.750) 4.562 1.890 ( 7.883 0.244 -1.295) 7.992 2.000 ( -3.240 6.103 2.296) 7.281 2.185 ( -1.940 -5.070 -2.286) 5.890 2.298 ( -2.635 -0.930 -1.365) 3.110 2.357 ( -0.838 -3.684 -0.428) 3.802 2.572 ( 2.662 -2.589 0.356) 3.730 2.673 ( 1.018 1.572 -1.045) 2.145 2.897 ( -8.705 -3.827 2.329) 9.789 3.030 ( -3.134 -2.459 0.733) 4.050 3.118 ( 2.145 0.327 -4.218) 4.743 3.254 ( -14.483 -1.522 6.556) 15.970 3.306 ( -1.907 -0.092 -3.039) 3.589 3.396 ( -5.706 -0.937 -4.086) 7.080 3.782 ( 4.373 2.635 -1.597) 5.349 4.095 ( -5.847 3.129 -7.804) 10.241 4.484 ( -3.424 2.498 4.289) 6.030 4.774 ( 5.241 -0.418 -10.210) 11.484 5.129 ( -8.059 -1.620 11.287) 13.964 5.180 ( -10.713 -10.474 0.111) 14.983 5.639 ( 6.445 -3.904 5.511) 9.336 5.666 ( -1.059 0.154 1.869) 2.153 5.793 ( -1.939 -0.712 -2.358) 3.135 6.103 ( 3.998 1.465 -3.578) 5.562 6.664 ( -3.018 -0.628 15.296) 15.604 7.135 ( 8.440 -3.025 -5.964) 10.768 7.445 ( 4.203 3.135 8.370) 9.877 7.945 ( -4.861 1.906 -13.579) 14.548 8.031 ( -6.361 -2.387 -11.449) 13.313 8.614 ( -11.430 0.133 13.186) 17.451 9.336 ( 3.473 3.168 -7.182) 8.583 10.043 ( 15.613 -2.104 1.557) 15.831 10.165 ( 11.278 -0.754 -0.555) 11.317 12.555 ( -0.008 0.358 -1.892) 1.926 12.866 ( 0.666 -0.498 3.379) 3.480 14.405 ( -5.473 -2.433 -8.021) 10.010 14.606 ( 0.299 0.217 -1.603) 1.645 15.008 ( 8.295 13.051 -0.010) 15.464 15.415 ( 4.776 3.792 9.465) 11.259 16.068 ( 0.185 -0.903 -5.126) 5.208 16.197 ( -11.209 2.142 7.410) 13.606 17.076 ( -10.010 -1.541 3.284) 10.647 17.344 ( -4.851 2.009 -0.140) 5.252 17.886 ( 7.648 -1.981 -5.956) 9.894 18.348 ( 6.190 -10.624 2.938) 12.642======================= Grid point 113 (40/172) =======================q-point: (-0.20 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( -17.035 6.522 7.791) 19.835 0.917 ( -10.289 20.419 7.367) 24.022 1.580 ( -16.801 2.661 13.729) 21.859 1.734 ( -0.485 1.494 -4.348) 4.623 1.839 ( -3.794 6.446 -0.018) 7.479 2.062 ( 10.061 -0.222 -3.110) 10.533 2.205 ( 0.720 -1.654 -1.502) 2.348 2.237 ( -3.285 -0.393 -1.835) 3.783 2.325 ( -4.375 -0.629 -0.999) 4.532 2.648 ( 0.269 -1.993 -1.888) 2.758 2.678 ( 1.268 -0.107 -0.908) 1.563 2.790 ( -12.697 -3.613 2.883) 13.513 2.895 ( -6.964 -3.176 1.204) 7.748 3.102 ( 0.219 -1.649 2.400) 2.921 3.187 ( -1.023 -0.904 -1.003) 1.694 3.250 ( -1.984 1.486 -1.494) 2.894 3.335 ( -2.586 -2.422 -4.552) 5.768 3.828 ( 3.637 1.098 -1.969) 4.279 3.965 ( -3.784 2.785 -5.209) 7.015 4.424 ( -2.598 2.214 3.375) 4.800 4.921 ( 10.127 -2.437 -6.895) 12.492 5.043 ( -7.627 -7.673 7.123) 12.953 5.118 ( -4.501 -4.258 3.654) 7.193 5.557 ( -7.600 6.075 5.349) 11.103 5.731 ( 0.219 -1.119 -1.739) 2.079 5.825 ( 4.453 -2.264 1.707) 5.279 6.162 ( 4.660 0.233 -4.262) 6.320 6.596 ( -8.912 -0.571 11.948) 14.917 7.308 ( 9.492 -2.349 -7.875) 12.555 7.490 ( 2.901 4.164 4.846) 7.017 7.772 ( -11.880 -6.109 -12.285) 18.149 7.922 ( -5.966 -0.200 -11.290) 12.771 8.500 ( -4.610 1.631 14.049) 14.876 9.338 ( 1.602 2.042 -5.950) 6.492 10.348 ( 10.158 -1.429 1.139) 10.321 10.372 ( 17.068 -2.365 1.289) 17.279 12.557 ( 0.839 0.189 -0.856) 1.213 12.878 ( -0.499 -0.638 1.734) 1.914 14.328 ( -3.262 -0.633 -5.201) 6.172 14.632 ( 2.461 -0.826 2.371) 3.516 15.004 ( 9.636 20.893 -0.010) 23.008 15.506 ( 5.419 0.060 9.076) 10.571 15.987 ( -11.851 1.682 7.214) 13.976 16.069 ( -0.059 -0.419 -4.667) 4.686 16.895 ( -12.036 -0.524 2.488) 12.302 17.255 ( -3.341 2.043 -1.242) 4.108 18.033 ( 7.702 -3.090 -5.676) 10.054 18.541 ( 2.657 -12.795 0.740) 13.088======================= Grid point 114 (41/172) =======================q-point: (-0.10 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.569 ( -11.538 12.126 12.748) 21.040 0.630 ( -11.004 9.026 17.283) 22.389 1.161 ( -26.723 5.191 28.004) 39.055 1.717 ( 1.028 0.578 -6.024) 6.139 1.777 ( 1.140 3.541 -4.866) 6.125 2.180 ( 0.632 -1.395 -1.287) 2.000 2.228 ( 2.003 0.697 -0.977) 2.335 2.236 ( 5.394 0.529 -1.759) 5.698 2.289 ( 1.168 -1.350 -0.926) 2.011 2.439 ( -16.967 1.381 3.260) 17.332 2.620 ( -4.171 -1.121 -0.093) 4.320 2.804 ( 5.131 -2.026 -2.332) 5.989 2.944 ( 1.241 -5.154 -0.140) 5.303 3.117 ( -0.706 -0.164 -0.261) 0.770 3.154 ( -0.520 -0.209 2.450) 2.513 3.223 ( 0.050 3.451 -2.930) 4.527 3.309 ( -1.370 -0.816 0.491) 1.669 3.859 ( 1.090 0.350 -7.327) 7.416 3.954 ( 5.078 -0.732 4.123) 6.582 4.361 ( -2.625 1.526 0.660) 3.107 4.965 ( -7.822 -8.400 11.118) 15.980 5.071 ( -4.307 2.910 8.131) 9.650 5.153 ( 5.103 -7.465 -5.763) 10.722 5.424 ( 5.113 10.415 -6.319) 13.212 5.730 ( 0.582 0.324 -3.028) 3.101 5.900 ( 0.754 -1.431 1.492) 2.200 6.248 ( 6.361 -0.669 -2.388) 6.827 6.433 ( -11.632 -0.214 11.354) 16.256 7.373 ( -3.139 -0.361 -19.465) 19.719 7.449 ( -4.896 3.548 -7.680) 9.774 7.706 ( -1.279 -9.048 0.464) 9.150 7.800 ( -4.418 -0.027 -2.545) 5.098 8.452 ( -2.788 1.744 12.628) 13.050 9.341 ( 1.695 1.300 -4.817) 5.269 10.486 ( 5.228 -0.432 1.512) 5.459 10.687 ( 11.977 -5.771 -0.348) 13.299 12.576 ( 1.428 0.037 0.382) 1.479 12.867 ( -1.622 -0.839 0.076) 1.828 14.308 ( 2.446 0.278 0.607) 2.535 14.705 ( 1.299 -2.698 2.770) 4.079 15.083 ( 30.548 23.082 15.174) 41.185 15.609 ( 2.694 -1.479 8.234) 8.789 15.801 ( -9.042 1.125 6.261) 11.055 16.066 ( 0.920 0.512 -3.232) 3.399 16.707 ( -9.050 0.745 0.139) 9.082 17.181 ( -3.158 1.491 -3.749) 5.124 18.171 ( 5.370 -3.881 -4.027) 7.753 18.586 ( -15.056 -11.783 -11.834) 22.485======================= Grid point 116 (42/172) =======================q-point: ( 0.10 0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.747 ( 12.411 0.000 11.932) 17.216 0.971 ( 13.476 0.000 12.131) 18.132 1.578 ( 18.223 0.000 13.440) 22.643 1.695 ( -2.481 -0.000 -4.158) 4.842 1.783 ( 9.311 0.000 -1.663) 9.459 2.189 ( 0.213 0.000 -6.739) 6.743 2.202 ( -6.466 -0.000 1.831) 6.720 2.365 ( 1.269 0.000 2.679) 2.965 2.429 ( 3.972 0.000 4.839) 6.261 2.564 ( 16.895 0.000 -6.095) 17.961 2.785 ( -8.422 -0.000 7.688) 11.403 2.827 ( -1.230 -0.000 2.686) 2.954 2.894 ( -0.687 -0.000 -3.090) 3.165 2.912 ( -2.398 -0.000 -5.347) 5.860 3.163 ( 4.362 0.000 -0.813) 4.437 3.289 ( 0.757 0.000 0.090) 0.762 3.652 ( 10.901 0.000 -2.430) 11.169 3.830 ( -4.505 -0.000 -4.461) 6.340 3.990 ( -4.069 -0.000 -7.674) 8.686 4.456 ( 9.880 0.000 15.014) 17.973 4.876 ( -2.726 -0.000 0.162) 2.731 4.938 ( 7.958 0.000 -0.131) 7.959 5.270 ( -9.947 -0.000 -5.375) 11.307 5.333 ( 10.664 0.000 7.375) 12.966 5.923 ( -4.671 -0.000 -5.632) 7.316 5.941 ( 7.302 0.000 5.813) 9.334 6.227 ( -0.548 -0.000 7.782) 7.801 6.389 ( -4.068 -0.000 3.198) 5.175 7.081 ( -10.501 -0.000 -5.029) 11.643 7.198 ( 12.789 0.000 -19.797) 23.569 7.930 ( 6.952 0.000 -9.204) 11.534 8.085 ( -10.748 -0.000 0.946) 10.790 8.433 ( 11.033 0.000 11.339) 15.821 9.402 ( 3.772 0.000 -4.483) 5.859 10.299 ( -16.142 -0.000 2.043) 16.271 10.352 ( -9.326 -0.000 0.356) 9.333 12.662 ( 1.478 0.000 3.920) 4.189 12.746 ( -2.231 -0.000 -4.007) 4.586 14.605 ( -2.677 -0.000 -5.846) 6.430 14.617 ( 6.322 0.000 3.538) 7.244 15.239 ( -12.369 -0.000 -2.769) 12.675 15.616 ( -16.649 -0.000 19.602) 25.718 15.866 ( -2.960 -0.000 9.972) 10.403 16.311 ( 5.262 0.000 6.447) 8.322 16.773 ( 10.170 0.000 -2.932) 10.585 17.223 ( -1.098 -0.000 4.156) 4.299 17.875 ( 18.888 0.000 -26.809) 32.794 18.245 ( -4.887 -0.000 3.412) 5.960======================= Grid point 117 (43/172) =======================q-point: ( 0.20 0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( 11.721 -5.324 8.549) 15.454 1.210 ( 10.628 -3.049 6.825) 12.993 1.664 ( 0.554 0.837 -2.910) 3.078 1.741 ( 2.866 -3.940 -0.445) 4.893 2.034 ( 7.321 -0.810 5.153) 8.989 2.065 ( -7.372 0.600 4.228) 8.520 2.209 ( 3.692 -1.858 -5.390) 6.793 2.418 ( 4.644 3.055 3.400) 6.516 2.470 ( 1.278 1.079 2.807) 3.267 2.618 ( -9.242 1.941 3.095) 9.938 2.682 ( -3.457 -1.770 -0.263) 3.893 2.883 ( 5.191 2.103 -3.658) 6.690 2.903 ( 2.813 1.219 -5.076) 5.930 2.968 ( 12.002 -0.224 -2.028) 12.174 3.231 ( 2.838 -2.111 -1.284) 3.762 3.291 ( 1.168 0.423 -0.816) 1.487 3.723 ( -3.328 2.032 -1.632) 4.227 3.759 ( -3.059 -0.983 1.255) 3.450 4.065 ( 15.153 0.787 -8.923) 17.602 4.657 ( 7.689 -1.947 15.318) 17.250 4.832 ( -0.693 0.394 -2.967) 3.072 4.970 ( -7.510 -1.537 1.688) 7.850 5.209 ( 5.978 1.305 -7.775) 9.895 5.500 ( 7.772 1.827 4.822) 9.327 5.827 ( -3.376 1.436 -0.864) 3.770 6.080 ( 3.471 0.419 8.693) 9.370 6.184 ( -4.810 0.058 3.521) 5.962 6.303 ( -3.875 -0.156 1.218) 4.065 6.903 ( -7.269 1.272 -1.866) 7.611 7.443 ( 18.581 2.110 -15.632) 24.373 7.859 ( -14.799 -1.256 0.406) 14.858 8.011 ( 2.998 -3.530 -6.652) 8.105 8.662 ( 13.471 1.174 6.846) 15.157 9.462 ( 3.691 0.440 -2.726) 4.609 9.998 ( -18.571 -0.445 1.064) 18.606 10.176 ( -10.633 0.104 -0.633) 10.652 12.695 ( -0.476 0.763 -0.641) 1.105 12.702 ( 0.400 -0.074 0.963) 1.045 14.554 ( -3.112 -2.772 -6.871) 8.036 14.744 ( 7.207 0.237 4.107) 8.299 15.028 ( -10.599 0.622 -4.597) 11.570 15.399 ( -11.260 -1.381 20.077) 23.060 15.942 ( 6.633 0.454 -1.533) 6.823 16.403 ( 3.426 -0.398 8.760) 9.415 16.953 ( 10.175 -0.858 -2.463) 10.504 17.234 ( 0.868 -1.477 0.887) 1.929 18.013 ( 5.977 3.947 -16.557) 18.040 18.144 ( -7.418 0.115 4.241) 8.545======================= Grid point 118 (44/172) =======================q-point: ( 0.30 0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.252 ( 8.607 -6.151 4.176) 11.373 1.417 ( 7.572 -5.631 2.607) 9.790 1.680 ( 2.416 0.870 -0.822) 2.697 1.832 ( 3.217 -5.507 -0.129) 6.379 1.923 ( -5.925 2.040 3.630) 7.241 2.081 ( -2.089 -1.041 2.114) 3.149 2.268 ( -0.033 -1.160 -2.172) 2.463 2.371 ( -5.334 4.797 1.169) 7.268 2.467 ( -4.404 4.047 0.247) 5.986 2.544 ( 5.398 2.449 4.228) 7.281 2.628 ( -3.617 -2.822 0.038) 4.588 2.945 ( 3.743 -0.748 -2.257) 4.435 2.975 ( 6.019 2.905 -2.984) 7.319 3.107 ( 1.488 -3.809 -2.815) 4.965 3.266 ( 3.827 0.898 -3.066) 4.986 3.386 ( 7.502 0.583 -1.537) 7.680 3.632 ( -4.389 0.311 -5.676) 7.182 3.710 ( -1.754 1.333 2.938) 3.672 4.318 ( 13.871 2.955 -3.941) 14.720 4.763 ( 2.658 -0.084 3.924) 4.741 4.828 ( -7.057 -3.039 -0.835) 7.728 4.886 ( 0.841 -5.315 4.899) 7.278 5.290 ( 7.285 5.497 -4.529) 10.188 5.586 ( 3.515 1.754 1.941) 4.382 5.776 ( -4.753 -0.545 6.491) 8.063 5.944 ( -12.126 3.754 -0.669) 12.711 6.088 ( -6.377 -0.944 -0.426) 6.461 6.417 ( 10.811 -1.513 7.662) 13.337 6.819 ( -1.940 -0.265 1.452) 2.437 7.560 ( -9.890 1.344 9.569) 13.827 7.764 ( 13.996 2.511 -21.695) 25.940 8.085 ( 1.588 -6.753 -5.535) 8.875 8.898 ( 14.752 2.729 3.529) 15.412 9.446 ( -10.314 -1.232 4.233) 11.216 9.749 ( -5.273 0.623 -3.839) 6.552 9.992 ( -10.144 0.044 -1.179) 10.212 12.650 ( -1.683 0.812 -4.089) 4.496 12.744 ( 2.116 -0.091 5.082) 5.506 14.516 ( -3.677 -4.542 -7.874) 9.806 14.846 ( -5.036 1.420 -5.132) 7.329 14.873 ( 4.158 1.582 4.663) 6.445 15.329 ( -2.229 -1.094 14.256) 14.470 16.035 ( 5.311 1.567 -4.362) 7.049 16.465 ( 0.918 -0.505 10.093) 10.147 17.107 ( 6.347 -1.102 -1.352) 6.582 17.285 ( 2.648 -3.535 -1.649) 4.714 17.998 ( -0.141 3.391 -7.100) 7.869 18.013 ( -7.082 1.645 1.890) 7.512======================= Grid point 119 (45/172) =======================q-point: ( 0.40 0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.416 ( 4.252 -4.682 -0.931) 6.393 1.565 ( 2.664 -5.509 0.848) 6.178 1.730 ( 3.459 -0.479 3.125) 4.686 1.847 ( -1.321 2.687 3.407) 4.535 1.951 ( 4.516 -4.611 0.703) 6.492 2.028 ( -4.196 1.031 0.764) 4.388 2.225 ( -5.424 3.906 -0.586) 6.710 2.244 ( -2.747 -1.406 -0.409) 3.113 2.363 ( -2.612 5.799 -2.077) 6.690 2.560 ( 0.610 2.299 0.563) 2.445 2.666 ( 3.130 -1.851 2.535) 4.433 2.965 ( -4.681 -1.157 0.171) 4.825 3.018 ( 3.184 -0.238 0.242) 3.203 3.122 ( -0.372 -0.867 -3.800) 3.915 3.347 ( 4.458 0.455 -4.347) 6.243 3.432 ( -0.879 1.538 -1.660) 2.427 3.569 ( -1.365 -0.104 -4.881) 5.070 3.710 ( 2.653 1.516 2.652) 4.046 4.393 ( 0.463 4.826 -4.436) 6.572 4.730 ( -5.339 -1.130 -4.554) 7.108 4.845 ( 2.612 -0.750 0.322) 2.736 4.963 ( -0.022 -8.193 7.439) 11.067 5.352 ( 5.954 4.671 -3.278) 8.247 5.563 ( -14.497 1.290 7.493) 16.370 5.625 ( -2.121 0.072 3.478) 4.075 5.777 ( -6.325 -2.076 -0.217) 6.661 6.041 ( 1.127 -0.219 -6.156) 6.262 6.596 ( 4.461 -0.720 14.804) 15.479 6.851 ( 5.266 -0.865 -2.084) 5.729 7.402 ( -7.471 -1.111 9.549) 12.174 7.944 ( 12.172 3.978 -14.194) 19.117 8.152 ( 1.408 -3.784 -8.725) 9.614 9.082 ( -2.789 2.404 5.135) 6.319 9.218 ( -2.857 -0.945 1.225) 3.249 9.776 ( 4.402 1.116 -3.032) 5.461 9.850 ( -3.687 -1.143 -1.546) 4.159 12.610 ( -1.420 0.598 -3.579) 3.896 12.791 ( 2.013 -0.062 5.187) 5.565 14.475 ( -4.053 -4.539 -8.403) 10.375 14.720 ( -5.110 0.740 -5.001) 7.188 14.965 ( 6.186 3.460 5.348) 8.879 15.383 ( 5.428 1.957 9.847) 11.413 16.075 ( 2.373 2.008 -5.670) 6.466 16.473 ( -2.770 0.052 10.253) 10.620 17.174 ( 0.707 -1.019 -0.385) 1.299 17.372 ( 2.452 -5.355 -3.638) 6.922 17.879 ( -6.219 2.317 2.525) 7.100 17.970 ( 0.639 0.180 -3.100) 3.170======================= Grid point 120 (46/172) =======================q-point: (-0.50 0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.474 ( -1.096 -1.456 -3.367) 3.828 1.615 ( 0.487 -1.718 0.689) 1.914 1.775 ( -3.688 1.161 7.709) 8.624 1.827 ( 1.087 3.222 3.977) 5.233 1.899 ( -2.747 3.246 -1.975) 4.689 2.079 ( 1.778 -3.055 -1.133) 3.712 2.141 ( 1.757 4.343 -0.668) 4.732 2.235 ( 0.428 -1.998 -0.380) 2.079 2.285 ( -1.007 1.863 -3.175) 3.817 2.553 ( -0.248 1.614 2.312) 2.831 2.723 ( 1.048 -0.376 -1.066) 1.541 2.892 ( -2.816 -0.382 3.746) 4.702 3.041 ( -4.099 -2.942 2.634) 5.692 3.109 ( 1.532 1.580 -6.312) 6.685 3.327 ( -3.616 -0.391 -5.460) 6.560 3.388 ( -5.554 -1.483 0.548) 5.775 3.522 ( -3.919 1.483 0.103) 4.192 3.772 ( 5.668 2.368 -0.073) 6.143 4.296 ( -4.917 4.124 -4.174) 7.655 4.626 ( -5.785 0.971 -2.726) 6.468 4.805 ( -3.923 0.948 -6.762) 7.875 5.041 ( -4.981 -10.266 1.759) 11.545 5.265 ( -14.433 -1.472 9.644) 17.421 5.448 ( 5.469 1.295 4.282) 7.066 5.647 ( 1.197 -1.164 -0.269) 1.692 5.733 ( -1.260 -3.355 -1.874) 4.044 6.073 ( 2.931 -0.072 -4.733) 5.567 6.647 ( -1.879 -1.223 18.123) 18.261 6.968 ( 7.056 -0.410 -3.969) 8.106 7.380 ( 0.568 -2.157 9.272) 9.537 8.039 ( 1.388 -1.452 -9.255) 9.470 8.142 ( 1.204 5.427 -13.742) 14.823 8.821 ( -17.677 -1.702 10.508) 20.634 9.356 ( 9.089 4.096 -6.429) 11.863 9.798 ( 5.240 -1.479 1.544) 5.660 9.956 ( 10.086 -0.624 -2.270) 10.357 12.578 ( -1.001 0.352 -2.844) 3.035 12.833 ( 1.566 -0.023 4.737) 4.989 14.425 ( -4.004 -3.297 -8.063) 9.587 14.641 ( -2.385 0.573 -3.649) 4.397 15.055 ( 7.145 3.532 4.816) 9.313 15.485 ( 8.404 7.162 6.579) 12.854 16.068 ( 0.148 0.929 -5.966) 6.040 16.399 ( -7.398 1.240 9.519) 12.120 17.153 ( -4.216 -1.170 0.291) 4.385 17.416 ( -1.929 -3.752 -4.036) 5.838 17.796 ( -0.993 0.836 0.323) 1.338 18.024 ( 3.092 -5.244 1.315) 6.229======================= Grid point 121 (47/172) =======================q-point: (-0.40 0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( -10.309 5.973 -0.323) 11.919 1.572 ( -8.557 12.598 4.785) 15.963 1.659 ( 0.859 -1.310 2.728) 3.146 1.836 ( 0.441 1.534 1.291) 2.053 1.904 ( 4.131 1.005 -0.267) 4.260 2.078 ( -2.699 -2.290 -2.437) 4.298 2.145 ( 2.240 6.132 0.999) 6.604 2.264 ( -0.853 -1.950 0.043) 2.129 2.307 ( 2.678 -1.708 -4.060) 5.155 2.545 ( 1.404 0.015 2.190) 2.602 2.708 ( -0.124 1.875 -1.976) 2.727 2.860 ( -7.341 -0.031 4.056) 8.387 2.977 ( -2.599 -3.134 2.285) 4.669 3.123 ( 0.488 0.241 -6.038) 6.062 3.224 ( -13.564 -1.604 5.051) 14.563 3.272 ( -3.302 -3.161 -6.009) 7.550 3.406 ( -7.383 1.485 0.887) 7.583 3.836 ( 4.070 3.205 -0.082) 5.181 4.156 ( -5.994 3.392 -4.648) 8.309 4.522 ( -4.195 1.239 0.915) 4.469 4.765 ( 3.050 -0.651 -10.902) 11.339 4.946 ( -14.138 -11.231 0.841) 18.075 5.142 ( -4.397 -0.613 6.585) 7.942 5.574 ( 5.854 -2.778 8.248) 10.488 5.659 ( -1.299 -1.320 -0.607) 1.949 5.751 ( -0.658 -3.203 -3.598) 4.861 6.117 ( 2.769 -0.088 -2.546) 3.762 6.646 ( -3.626 -1.222 17.117) 17.539 7.087 ( 6.751 -2.335 -2.760) 7.658 7.456 ( 3.232 -1.833 7.874) 8.707 7.923 ( -12.611 -3.107 -13.786) 18.940 8.087 ( 0.442 7.374 -14.029) 15.855 8.617 ( -8.988 0.247 13.675) 16.366 9.392 ( 1.984 2.963 -5.604) 6.642 10.019 ( 16.822 -0.489 0.481) 16.836 10.148 ( 11.139 -1.073 -0.688) 11.212 12.560 ( -0.304 0.142 -1.955) 1.983 12.862 ( 0.812 -0.011 3.580) 3.671 14.368 ( -3.289 -1.588 -6.519) 7.473 14.612 ( 0.052 0.381 -1.725) 1.767 15.169 ( 8.997 4.116 3.507) 10.497 15.549 ( 7.261 11.000 3.758) 13.705 16.055 ( 0.079 -0.486 -5.187) 5.211 16.238 ( -11.098 2.179 8.323) 14.042 17.052 ( -8.733 -0.972 0.992) 8.843 17.367 ( -3.812 0.025 -2.973) 4.834 17.836 ( 3.632 -3.543 -2.817) 5.803 18.158 ( 3.612 -9.369 4.106) 10.848======================= Grid point 122 (48/172) =======================q-point: (-0.30 0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.060 ( -13.971 9.825 4.932) 17.777 1.282 ( -10.313 17.129 7.264) 21.273 1.660 ( -3.249 6.000 5.974) 9.069 1.787 ( -1.510 4.115 -2.211) 4.909 1.962 ( -3.472 5.135 1.668) 6.419 2.035 ( 5.622 -1.365 -0.270) 5.792 2.164 ( 2.612 -1.678 -1.795) 3.586 2.221 ( -4.798 -0.679 -1.460) 5.061 2.323 ( -2.169 -0.811 -1.738) 2.895 2.610 ( 2.949 -1.105 -1.044) 3.317 2.677 ( -3.744 0.099 -2.188) 4.338 2.732 ( -5.973 -1.395 2.943) 6.803 2.869 ( -11.673 -0.559 2.956) 12.054 3.059 ( -0.091 -2.942 2.834) 4.086 3.174 ( -0.514 -0.509 -1.141) 1.352 3.245 ( -2.391 -2.640 -2.631) 4.429 3.293 ( -2.868 -1.195 -3.857) 4.953 3.854 ( 1.023 1.696 1.104) 2.268 4.027 ( -3.622 3.824 -4.230) 6.755 4.466 ( -1.899 1.811 1.830) 3.199 4.820 ( -8.729 -10.797 6.284) 15.240 4.895 ( 8.117 -3.266 -15.601) 17.887 5.106 ( -1.184 0.116 5.672) 5.796 5.603 ( -6.489 -0.689 5.573) 8.581 5.696 ( 2.550 -2.624 3.353) 4.963 5.771 ( 1.842 -3.516 -2.803) 4.860 6.162 ( 3.129 -0.271 -2.705) 4.145 6.583 ( -8.728 -0.825 13.717) 16.279 7.253 ( 9.626 -3.933 -1.802) 10.553 7.536 ( 3.215 0.103 6.308) 7.081 7.681 ( -14.777 -4.292 -14.882) 21.407 7.937 ( -8.471 3.501 -14.950) 17.536 8.541 ( -2.314 2.928 13.881) 14.374 9.387 ( 2.030 3.220 -4.341) 5.774 10.313 ( 12.786 -1.503 1.421) 12.952 10.355 ( 13.814 -0.310 -0.312) 13.821 12.559 ( 0.569 -0.030 -0.917) 1.080 12.872 ( -0.297 -0.033 1.613) 1.640 14.322 ( -1.456 0.020 -3.462) 3.755 14.628 ( 2.069 0.090 0.978) 2.290 15.298 ( 11.331 7.345 1.018) 13.541 15.567 ( 5.610 9.395 2.457) 11.215 16.027 ( -11.625 2.567 7.605) 14.127 16.063 ( 1.011 -0.157 -4.148) 4.272 16.888 ( -10.241 -0.044 0.423) 10.250 17.296 ( -2.551 2.062 -3.225) 4.600 17.942 ( 3.053 -7.182 -3.916) 8.731 18.306 ( 0.839 -11.394 4.945) 12.449======================= Grid point 123 (49/172) =======================q-point: (-0.20 0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.752 ( -11.605 11.058 11.159) 19.532 0.948 ( -11.750 17.558 11.568) 24.086 1.376 ( -14.565 19.413 20.151) 31.545 1.761 ( 2.347 3.660 -7.172) 8.388 1.864 ( -0.394 5.914 -2.434) 6.407 2.148 ( -1.100 -2.107 -2.392) 3.373 2.180 ( 2.367 -5.835 0.866) 6.357 2.247 ( 4.480 -2.288 -0.499) 5.055 2.262 ( -2.235 0.957 -1.202) 2.712 2.475 ( -15.590 1.887 2.252) 15.864 2.607 ( -2.724 0.181 -0.101) 2.732 2.702 ( 2.519 -7.994 -2.543) 8.759 2.893 ( 2.808 -0.711 -0.006) 2.897 3.088 ( -1.219 -2.671 -0.575) 2.992 3.142 ( -0.684 -1.249 2.051) 2.497 3.269 ( 4.211 -0.651 -0.016) 4.261 3.296 ( 1.808 1.238 -4.841) 5.314 3.862 ( 1.072 -0.124 -1.719) 2.030 3.965 ( 0.313 2.228 2.251) 3.183 4.408 ( -2.041 3.329 0.175) 3.909 4.790 ( -7.043 -10.249 5.991) 13.804 5.034 ( 2.687 -4.014 -4.200) 6.401 5.132 ( 3.989 1.448 0.218) 4.249 5.523 ( -1.294 0.242 0.407) 1.378 5.732 ( 1.366 -0.623 -1.349) 2.018 5.848 ( 1.151 -4.147 0.995) 4.418 6.228 ( 4.598 -1.307 -1.848) 5.125 6.427 ( -11.785 -0.452 12.417) 17.125 7.369 ( -5.072 -0.167 -19.146) 19.808 7.518 ( -3.967 -5.510 -6.805) 9.612 7.572 ( 2.410 3.527 3.799) 5.717 7.742 ( -6.823 -4.618 -3.628) 9.002 8.507 ( -1.513 4.206 12.439) 13.218 9.387 ( 2.197 3.602 -4.163) 5.927 10.470 ( 5.186 -1.277 1.733) 5.615 10.601 ( 10.251 -2.258 1.561) 10.612 12.575 ( 1.227 -0.152 0.292) 1.270 12.857 ( -1.677 -0.192 -0.726) 1.837 14.319 ( 2.334 0.962 1.049) 2.734 14.681 ( 3.034 -0.386 3.691) 4.794 15.460 ( 17.474 8.434 0.837) 19.421 15.602 ( 6.033 5.681 1.482) 8.419 15.834 ( -8.939 2.260 6.625) 11.354 16.086 ( 3.246 1.721 -1.888) 4.130 16.734 ( -5.003 2.231 -2.507) 6.025 17.226 ( -2.145 3.105 -5.191) 6.418 18.018 ( -5.939 -12.426 -2.903) 14.075 18.369 ( -6.081 -8.703 2.467) 10.900======================= Grid point 124 (50/172) =======================q-point: (-0.10 0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.554 ( -0.845 9.674 17.022) 19.597 0.664 ( -4.339 16.059 16.872) 23.693 1.080 ( -0.487 20.119 30.393) 36.452 1.750 ( 1.682 4.148 -7.027) 8.331 1.829 ( 1.564 3.819 -6.973) 8.103 2.140 ( -2.498 -2.656 1.438) 3.920 2.234 ( -1.473 -0.792 0.468) 1.737 2.247 ( -0.442 -1.932 1.523) 2.499 2.301 ( 3.161 -2.160 -1.679) 4.180 2.372 ( 1.822 -0.182 2.558) 3.146 2.589 ( 3.363 -2.316 1.285) 4.281 2.829 ( 4.249 -5.754 -2.896) 7.717 2.895 ( -2.631 -3.834 -2.726) 5.390 3.077 ( -2.373 -2.078 -1.014) 3.313 3.140 ( -3.155 -1.576 0.043) 3.527 3.283 ( 1.348 5.754 -3.385) 6.811 3.396 ( 9.745 3.494 0.229) 10.355 3.890 ( 2.996 1.189 -4.612) 5.626 4.020 ( 3.082 -5.138 9.615) 11.329 4.356 ( -0.673 3.611 -0.357) 3.690 4.776 ( -4.070 -7.028 5.791) 9.975 5.024 ( -4.220 0.016 2.823) 5.077 5.134 ( -4.118 0.775 0.896) 4.285 5.568 ( 4.337 0.180 -13.025) 13.729 5.761 ( 1.828 0.730 -1.602) 2.538 5.872 ( 0.670 -1.907 -0.660) 2.127 6.277 ( -8.300 -0.916 14.481) 16.716 6.352 ( 5.979 -3.832 -0.249) 7.106 7.194 ( -8.133 -3.075 -20.183) 21.976 7.322 ( -6.836 3.005 -12.053) 14.179 7.665 ( 4.201 0.670 5.098) 6.640 7.863 ( 10.613 -5.601 4.195) 12.712 8.447 ( -3.954 4.124 11.821) 13.130 9.375 ( 0.619 2.710 -4.289) 5.111 10.525 ( -0.487 -1.014 1.792) 2.116 10.693 ( -3.891 -2.510 2.319) 5.179 12.602 ( 1.418 -0.198 1.633) 2.172 12.821 ( -2.414 -0.965 -1.923) 3.234 14.393 ( 5.634 -0.110 3.224) 6.492 14.720 ( 0.533 1.591 0.860) 1.885 15.568 ( -5.466 -4.029 4.320) 8.049 15.714 ( -4.003 1.982 4.451) 6.305 15.930 ( 25.851 -7.324 -1.203) 26.895 16.185 ( 13.862 0.806 4.019) 14.455 16.743 ( 17.942 7.807 -10.444) 22.180 17.121 ( -6.015 5.808 -12.477) 15.020 17.741 ( -42.284 -7.657 8.075) 43.724 18.309 ( -1.151 1.328 0.044) 1.758======================= Grid point 127 (51/172) =======================q-point: ( 0.20 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.191 ( 9.870 0.000 6.696) 11.927 1.364 ( 7.673 0.000 2.177) 7.976 1.690 ( 2.089 0.000 -0.938) 2.290 1.774 ( 3.739 0.000 -0.967) 3.862 1.940 ( -6.292 -0.000 4.216) 7.574 2.072 ( -1.285 -0.000 2.224) 2.568 2.253 ( 0.608 0.000 -2.514) 2.586 2.462 ( -8.414 -0.000 1.630) 8.570 2.466 ( -2.058 -0.000 1.072) 2.320 2.568 ( 7.384 0.000 3.076) 7.999 2.606 ( -3.172 -0.000 -0.071) 3.172 2.931 ( 1.017 0.000 -3.571) 3.713 3.022 ( 7.911 0.000 -5.268) 9.504 3.053 ( -0.332 -0.000 -0.302) 0.449 3.276 ( 4.508 0.000 -4.695) 6.509 3.394 ( 8.886 0.000 -0.547) 8.903 3.636 ( -5.108 -0.000 -5.494) 7.502 3.721 ( -1.659 -0.000 2.555) 3.046 4.350 ( 15.940 0.000 -4.517) 16.568 4.759 ( -1.731 -0.000 12.273) 12.394 4.805 ( -0.243 -0.000 -4.636) 4.642 4.826 ( -4.159 -0.000 2.286) 4.746 5.346 ( 8.588 0.000 -6.765) 10.932 5.599 ( 2.193 0.000 3.673) 4.278 5.771 ( -6.029 -0.000 7.686) 9.769 5.981 ( -14.543 -0.000 -0.342) 14.547 6.078 ( -5.157 -0.000 -3.474) 6.218 6.402 ( 11.825 0.000 8.352) 14.477 6.817 ( -2.800 -0.000 2.226) 3.577 7.564 ( -13.569 -0.000 9.059) 16.315 7.804 ( 19.752 0.000 -22.152) 29.679 8.010 ( 0.512 0.000 -4.546) 4.575 8.924 ( 15.230 0.000 2.932) 15.510 9.433 ( -11.960 -0.000 5.259) 13.066 9.756 ( -4.149 -0.000 -4.679) 6.254 9.992 ( -10.435 -0.000 -1.168) 10.500 12.659 ( -1.915 -0.000 -4.289) 4.697 12.743 ( 2.132 0.000 5.288) 5.701 14.473 ( -3.065 -0.000 -7.659) 8.250 14.858 ( -8.205 -0.000 -5.098) 9.660 14.889 ( 7.689 0.000 5.013) 9.179 15.318 ( -1.325 -0.000 14.804) 14.863 16.050 ( 5.615 0.000 -4.032) 6.913 16.459 ( 0.976 0.000 10.383) 10.429 17.098 ( 7.049 0.000 -2.080) 7.349 17.250 ( 1.682 0.000 -1.483) 2.243 18.016 ( -8.036 -0.000 4.783) 9.352 18.043 ( -0.576 -0.000 -10.654) 10.670======================= Grid point 128 (52/172) =======================q-point: ( 0.30 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( 5.979 -2.112 2.744) 6.909 1.477 ( 3.565 -3.010 -0.376) 4.681 1.723 ( 1.421 -0.228 3.612) 3.889 1.864 ( 3.649 -0.919 0.958) 3.883 1.891 ( 1.486 -0.800 1.880) 2.526 2.042 ( -2.187 0.411 -0.178) 2.232 2.216 ( -3.952 -0.629 -0.200) 4.007 2.325 ( -3.259 4.853 -1.669) 6.079 2.421 ( -3.626 -0.232 -1.071) 3.788 2.582 ( 0.414 0.571 0.050) 0.707 2.681 ( 5.549 2.538 3.831) 7.205 2.882 ( -7.042 -4.506 -0.010) 8.361 3.055 ( 2.260 2.037 -1.496) 3.391 3.114 ( 2.624 -0.569 -5.269) 5.914 3.351 ( 3.937 0.010 -4.439) 5.933 3.466 ( -2.570 1.561 -0.535) 3.055 3.570 ( 0.321 0.087 -4.109) 4.123 3.726 ( 2.393 0.357 1.978) 3.125 4.492 ( 2.359 5.487 -6.377) 8.738 4.670 ( -6.757 -5.033 -0.746) 8.458 4.829 ( 4.092 -0.367 -0.226) 4.115 4.858 ( -0.664 -3.002 7.374) 7.989 5.422 ( -0.649 2.109 -4.273) 4.809 5.598 ( -5.931 2.420 7.586) 9.929 5.622 ( -6.799 0.240 6.556) 9.448 5.732 ( -10.738 -3.012 -2.336) 11.395 6.040 ( 1.519 0.062 -8.897) 9.026 6.590 ( 4.249 -0.102 16.582) 17.118 6.841 ( 6.120 -0.297 -1.560) 6.323 7.378 ( -8.731 -0.999 7.897) 11.815 7.997 ( 3.056 1.611 -6.285) 7.171 8.106 ( 13.705 -1.314 -15.769) 20.933 9.113 ( -18.701 0.925 8.273) 20.470 9.205 ( 13.163 -0.437 -1.181) 13.223 9.798 ( 4.892 1.146 -3.936) 6.383 9.829 ( -5.670 -1.032 -1.257) 5.898 12.618 ( -1.726 0.246 -3.774) 4.157 12.791 ( 2.091 -0.001 5.426) 5.816 14.418 ( -2.589 -1.667 -7.599) 8.200 14.729 ( -5.418 0.264 -4.579) 7.099 15.005 ( 5.081 1.078 6.613) 8.409 15.409 ( 9.037 0.834 8.431) 12.387 16.107 ( 2.429 1.167 -5.629) 6.240 16.470 ( -2.511 -0.201 11.659) 11.928 17.171 ( 1.759 0.431 -1.946) 2.659 17.286 ( 1.291 -3.308 -3.619) 5.070 17.895 ( -6.748 0.151 5.029) 8.417 17.990 ( -2.074 1.050 -6.060) 6.491======================= Grid point 129 (53/172) =======================q-point: (-0.60 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( 2.400 -1.549 -1.473) 3.214 1.541 ( 0.345 -4.827 -0.060) 4.840 1.762 ( 0.266 -1.412 6.730) 6.882 1.878 ( 0.545 2.388 4.413) 5.047 1.940 ( -2.771 0.663 -0.137) 2.852 2.018 ( 0.002 -2.518 -1.870) 3.137 2.197 ( 4.411 0.593 -0.381) 4.466 2.265 ( 1.663 5.300 -2.468) 6.079 2.351 ( -2.029 3.110 -3.391) 5.029 2.586 ( -0.499 1.698 2.129) 2.769 2.711 ( -0.257 -0.204 1.002) 1.055 2.847 ( -1.164 -4.145 3.588) 5.605 3.050 ( -1.060 2.973 -0.362) 3.177 3.127 ( 0.982 0.217 -6.401) 6.480 3.329 ( -5.731 0.624 -4.806) 7.506 3.368 ( -6.548 -0.833 -0.382) 6.612 3.550 ( -3.128 1.520 1.770) 3.903 3.803 ( 6.213 0.955 0.494) 6.305 4.382 ( -6.110 5.485 -2.057) 8.464 4.600 ( -6.606 -4.222 -4.409) 8.995 4.818 ( -4.081 0.494 -5.220) 6.644 4.888 ( -4.076 -5.680 -0.337) 6.999 5.235 ( -14.019 -1.548 8.983) 16.722 5.502 ( 0.573 3.937 3.562) 5.340 5.598 ( -0.996 -2.610 2.213) 3.564 5.699 ( 1.028 -1.812 -3.879) 4.404 6.062 ( 1.959 -0.855 -6.283) 6.637 6.628 ( -2.360 -0.793 19.818) 19.974 6.968 ( 6.742 0.251 -3.178) 7.458 7.329 ( -0.920 -2.860 8.167) 8.702 8.001 ( -1.672 -1.598 -8.269) 8.587 8.253 ( 7.748 5.161 -15.224) 17.845 8.792 ( -17.533 -1.401 11.789) 21.175 9.414 ( 8.086 2.281 -6.445) 10.588 9.780 ( 6.001 -0.589 1.408) 6.192 9.947 ( 9.579 -0.383 -2.480) 9.902 12.583 ( -1.294 0.167 -3.005) 3.277 12.834 ( 1.710 0.107 4.949) 5.238 14.380 ( -2.110 -1.684 -6.816) 7.331 14.650 ( -2.643 0.324 -3.314) 4.251 15.090 ( 4.776 0.754 6.819) 8.359 15.601 ( 13.591 5.115 4.100) 15.089 16.094 ( -0.749 1.661 -6.351) 6.607 16.412 ( -6.989 0.246 11.616) 13.559 17.148 ( -3.065 0.739 -2.144) 3.813 17.324 ( -1.037 -5.774 -5.671) 8.159 17.803 ( -4.673 -0.016 5.023) 6.860 17.968 ( 0.944 -1.268 -1.730) 2.343======================= Grid point 130 (54/172) =======================q-point: (-0.50 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( -4.402 2.465 -2.146) 5.482 1.610 ( 3.141 -4.348 -0.322) 5.374 1.697 ( -7.993 3.679 8.136) 11.984 1.878 ( -0.230 -2.111 2.397) 3.202 1.902 ( 0.731 3.662 1.614) 4.068 2.023 ( -1.273 -3.541 0.342) 3.778 2.251 ( 2.357 2.759 -2.319) 4.307 2.293 ( 0.351 4.728 -2.400) 5.314 2.316 ( 5.271 4.046 -2.957) 7.274 2.553 ( 0.810 -0.261 2.606) 2.741 2.727 ( 1.579 0.575 -1.440) 2.213 2.886 ( -0.516 0.627 4.961) 5.027 2.950 ( -5.743 2.545 1.779) 6.529 3.129 ( -1.396 0.404 -6.685) 6.841 3.195 ( -11.512 -2.042 2.003) 11.862 3.220 ( -5.995 -1.831 -5.246) 8.174 3.433 ( -8.968 1.434 2.969) 9.555 3.891 ( 4.453 2.697 1.122) 5.325 4.209 ( -8.485 2.305 0.836) 8.832 4.499 ( -7.947 -4.272 -2.873) 9.469 4.743 ( -2.888 -1.560 -6.241) 7.052 4.810 ( -4.701 -3.263 -9.780) 11.331 5.121 ( -4.056 -1.562 7.226) 8.432 5.545 ( 2.978 -0.821 10.417) 10.866 5.601 ( -3.120 -4.297 0.840) 5.376 5.720 ( 0.977 -0.264 -7.230) 7.301 6.100 ( 2.158 -1.650 -2.845) 3.934 6.624 ( -3.581 -1.067 19.025) 19.389 7.050 ( 3.691 -1.745 -0.945) 4.191 7.398 ( 2.808 -3.799 7.364) 8.749 7.882 ( -11.541 -1.375 -14.989) 18.967 8.226 ( -0.845 7.182 -14.265) 15.993 8.621 ( -5.943 0.067 14.302) 15.488 9.438 ( 1.352 2.053 -4.486) 5.115 10.022 ( 18.258 0.565 -0.905) 18.290 10.128 ( 10.855 -1.080 -0.696) 10.931 12.561 ( -0.554 0.001 -2.074) 2.147 12.864 ( 0.998 0.242 3.672) 3.813 14.348 ( -1.479 -0.724 -4.968) 5.234 14.619 ( -0.137 0.300 -1.524) 1.559 15.192 ( 5.743 -0.422 6.174) 8.443 15.757 ( 10.925 10.661 0.377) 15.270 16.052 ( -0.702 0.143 -5.565) 5.611 16.270 ( -10.881 1.253 10.149) 14.932 17.049 ( -6.933 0.924 -2.077) 7.296 17.329 ( -2.118 -4.481 -7.111) 8.668 17.768 ( -2.190 -3.464 4.401) 6.014 18.037 ( 3.806 -4.108 1.847) 5.896======================= Grid point 131 (55/172) =======================q-point: (-0.40 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( -10.174 9.170 1.873) 13.825 1.495 ( -11.222 8.006 11.073) 17.682 1.718 ( 5.491 -0.948 -2.674) 6.181 1.871 ( -0.753 2.225 -1.169) 2.624 1.920 ( 1.230 -3.193 3.016) 4.561 2.053 ( 1.178 -1.830 1.831) 2.844 2.223 ( -5.161 1.460 -2.843) 6.071 2.248 ( 0.774 8.996 0.270) 9.033 2.293 ( 0.756 0.374 -1.745) 1.938 2.645 ( 3.758 3.108 -0.616) 4.916 2.692 ( -11.744 2.738 2.986) 12.424 2.737 ( -1.537 2.364 0.701) 2.905 2.858 ( -9.560 -0.821 1.746) 9.752 3.005 ( -0.990 -2.674 2.912) 4.075 3.154 ( -3.300 -2.911 -3.063) 5.361 3.191 ( -0.516 -1.410 -1.611) 2.202 3.287 ( -2.952 -0.129 -3.562) 4.628 3.887 ( -1.978 1.918 4.123) 4.959 4.091 ( -3.101 2.869 -2.123) 4.728 4.438 ( -3.657 -6.579 -0.249) 7.531 4.672 ( -6.291 -3.327 0.088) 7.117 4.855 ( 8.098 -1.696 -15.392) 17.475 5.105 ( -0.182 -0.200 5.135) 5.142 5.544 ( -7.849 -5.396 6.206) 11.368 5.647 ( 3.334 -2.609 5.264) 6.755 5.717 ( -0.297 -2.053 -5.448) 5.830 6.150 ( 2.698 -1.090 -1.945) 3.500 6.569 ( -8.365 -0.775 15.625) 17.740 7.167 ( 6.714 -5.389 2.575) 8.986 7.504 ( 4.007 -3.023 6.360) 8.102 7.618 ( -15.721 -2.301 -17.545) 23.670 8.042 ( -9.360 6.870 -15.387) 19.276 8.600 ( 0.714 3.403 13.225) 13.674 9.446 ( 3.090 3.172 -3.435) 5.605 10.295 ( 10.949 -0.748 1.232) 11.044 10.355 ( 16.116 0.320 -1.792) 16.219 12.557 ( 0.375 -0.145 -1.011) 1.088 12.875 ( -0.095 0.326 1.486) 1.524 14.327 ( -0.043 0.490 -1.787) 1.854 14.631 ( 1.901 0.226 0.783) 2.069 15.315 ( 5.675 -2.126 5.408) 8.123 15.777 ( 4.317 10.761 -4.169) 12.322 16.063 ( -4.460 0.834 1.444) 4.762 16.076 ( -4.008 2.110 4.207) 6.182 16.901 ( -7.440 1.802 -2.761) 8.138 17.311 ( -1.195 -1.037 -7.660) 7.821 17.793 ( -2.672 -8.306 3.113) 9.265 18.159 ( 3.939 -5.394 4.070) 7.821======================= Grid point 132 (56/172) =======================q-point: (-0.30 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( -9.591 12.443 7.359) 17.348 1.203 ( -13.881 12.078 14.838) 23.637 1.751 ( 1.040 14.664 3.119) 15.029 1.829 ( 2.416 4.417 -4.642) 6.848 1.961 ( -0.904 1.578 0.986) 2.068 2.076 ( 0.530 -1.594 3.253) 3.661 2.109 ( -5.649 -1.631 -1.068) 5.976 2.203 ( 0.825 0.110 -0.214) 0.860 2.294 ( 1.945 2.644 -1.436) 3.583 2.495 ( -14.185 0.077 2.844) 14.468 2.569 ( -2.604 -4.133 0.907) 4.968 2.638 ( -1.357 1.725 -1.247) 2.524 2.880 ( -0.628 -1.234 0.049) 1.386 3.029 ( -1.423 -3.614 -0.795) 3.965 3.105 ( -2.760 -3.072 0.116) 4.132 3.228 ( 4.958 -2.598 4.689) 7.302 3.347 ( 9.329 3.644 -9.762) 13.986 3.858 ( -0.485 -0.319 2.694) 2.756 4.018 ( -1.641 3.115 -0.566) 3.566 4.449 ( -0.908 -0.985 -0.537) 1.443 4.626 ( -3.282 -6.039 1.397) 7.014 4.968 ( 2.579 -3.353 -4.268) 6.010 5.149 ( 4.265 0.480 -0.306) 4.302 5.469 ( -5.373 -5.257 1.705) 7.708 5.703 ( 1.256 -2.214 -1.746) 3.086 5.763 ( 1.201 -4.941 2.820) 5.815 6.206 ( 3.265 -1.034 -1.387) 3.695 6.418 ( -12.144 -0.589 13.955) 18.509 7.336 ( -13.551 -7.663 -11.906) 19.598 7.384 ( 8.187 -2.629 -4.411) 9.664 7.611 ( 3.898 -2.710 4.174) 6.322 7.760 ( -10.614 7.406 -12.710) 18.140 8.597 ( 0.289 5.587 11.600) 12.879 9.460 ( 2.814 4.328 -3.882) 6.459 10.446 ( 5.295 -1.330 1.956) 5.799 10.594 ( 10.924 0.767 -0.427) 10.959 12.571 ( 1.106 -0.247 0.178) 1.147 12.858 ( -1.568 0.312 -1.247) 2.028 14.341 ( 2.800 1.409 2.326) 3.903 14.680 ( 3.194 0.077 3.535) 4.765 15.433 ( 2.811 -4.624 4.986) 7.358 15.757 ( 5.010 6.541 -6.838) 10.707 15.875 ( -9.332 2.112 6.305) 11.458 16.122 ( 4.167 2.020 0.556) 4.664 16.786 ( -0.998 3.491 -5.629) 6.698 17.275 ( -0.691 1.844 -9.005) 9.218 17.798 ( -8.869 -10.725 3.198) 14.280 18.261 ( 1.421 -4.375 4.246) 6.260======================= Grid point 133 (57/172) =======================q-point: (-0.20 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.760 ( -1.082 12.791 12.633) 18.010 0.936 ( -4.824 14.360 17.457) 23.113 1.546 ( 1.009 28.305 13.914) 31.556 1.834 ( 1.910 4.054 -7.633) 8.851 1.913 ( 1.251 5.148 -2.969) 6.073 2.074 ( -0.636 -4.167 -1.772) 4.572 2.152 ( 0.554 -6.287 1.790) 6.561 2.230 ( 1.102 -1.128 1.548) 2.210 2.302 ( -2.908 1.533 -0.312) 3.302 2.367 ( 3.777 -0.009 1.972) 4.260 2.542 ( -4.018 -2.850 4.277) 6.524 2.714 ( 7.349 -5.769 -3.539) 9.991 2.831 ( -4.722 -3.319 -1.602) 5.990 3.022 ( -2.705 -3.609 -1.588) 4.782 3.096 ( -3.020 -3.287 -0.843) 4.543 3.335 ( 3.178 0.429 3.351) 4.638 3.477 ( 10.416 5.045 -5.385) 12.765 3.894 ( 3.324 -0.957 0.523) 3.498 3.986 ( -0.257 0.841 1.704) 1.918 4.420 ( -0.128 2.987 -0.067) 2.991 4.660 ( 0.453 -5.454 2.873) 6.181 4.983 ( -3.790 -3.899 0.639) 5.474 5.158 ( -3.243 0.933 5.540) 6.486 5.512 ( 3.688 -5.120 -11.185) 12.842 5.747 ( 0.584 -2.286 -2.025) 3.109 5.826 ( 3.001 -3.167 1.060) 4.490 6.257 ( -9.654 -1.408 15.457) 18.278 6.284 ( 3.581 -3.094 1.076) 4.853 7.123 ( -10.752 -5.004 -18.822) 22.247 7.385 ( -8.733 3.245 -12.647) 15.708 7.706 ( 9.309 0.269 3.572) 9.975 7.748 ( 9.743 -2.996 1.440) 10.295 8.544 ( -2.866 6.398 11.387) 13.372 9.441 ( 0.251 4.330 -4.373) 6.159 10.503 ( -0.568 -1.329 1.904) 2.391 10.685 ( -0.084 1.066 1.163) 1.580 12.597 ( 1.371 -0.304 1.462) 2.027 12.814 ( -2.705 0.025 -3.113) 4.124 14.407 ( 5.188 1.473 4.939) 7.313 14.739 ( 2.502 0.653 4.427) 5.126 15.479 ( -4.661 -5.645 3.456) 8.096 15.745 ( -4.914 1.526 5.331) 7.409 15.850 ( 9.127 -2.513 -6.659) 11.574 16.190 ( 4.409 0.015 5.491) 7.043 16.828 ( 11.110 2.756 -9.102) 14.625 17.220 ( 0.917 4.598 -14.846) 15.569 17.630 ( -20.528 -4.707 7.325) 22.298 18.299 ( -0.751 -1.972 2.968) 3.642======================= Grid point 134 (58/172) =======================q-point: (-0.10 0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.815 ( 14.356 8.911 11.024) 20.175 0.848 ( 5.322 15.132 12.933) 20.605 1.456 ( 12.563 21.111 20.146) 31.771 1.783 ( -2.326 2.542 -5.761) 6.712 1.862 ( 0.675 7.568 -4.084) 8.626 2.166 ( 3.759 -3.694 -2.830) 5.982 2.197 ( -0.057 -3.462 -0.611) 3.516 2.270 ( 7.452 -0.329 1.693) 7.649 2.344 ( 1.860 -0.260 0.200) 1.889 2.376 ( 1.042 -0.163 2.181) 2.422 2.617 ( 3.745 -8.079 3.167) 9.451 2.803 ( -2.109 -4.202 -1.809) 5.037 2.891 ( 6.294 -2.404 -1.413) 6.884 2.989 ( -5.065 -2.816 -0.665) 5.833 3.054 ( -2.145 -3.320 -0.771) 4.027 3.347 ( 0.680 4.349 0.873) 4.488 3.547 ( 4.387 2.773 -2.604) 5.807 3.935 ( -0.236 2.133 -3.241) 3.887 3.986 ( -2.588 -4.814 1.760) 5.742 4.419 ( 4.125 4.477 3.604) 7.075 4.738 ( 1.684 -3.153 3.214) 4.807 4.968 ( 2.174 -1.373 -0.944) 2.739 5.118 ( 0.526 0.406 7.633) 7.662 5.488 ( -8.982 -1.768 -7.693) 11.958 5.783 ( 3.237 -2.311 -1.344) 4.199 5.947 ( 6.663 -1.059 -5.342) 8.605 6.185 ( -3.801 -2.119 16.624) 17.184 6.362 ( 0.279 -4.173 2.022) 4.646 7.008 ( -3.920 -6.123 -16.663) 18.180 7.237 ( -3.150 0.814 -11.481) 11.933 7.851 ( 11.374 4.748 -3.625) 12.848 8.006 ( 10.902 -6.902 -0.257) 12.906 8.433 ( -5.331 6.104 13.485) 15.733 9.392 ( -0.302 2.678 -3.739) 4.609 10.458 ( -6.347 -1.320 1.374) 6.627 10.580 ( -9.916 2.349 1.820) 10.352 12.628 ( 1.407 -0.271 2.701) 3.058 12.764 ( -2.494 -0.884 -3.482) 4.374 14.498 ( 5.202 0.712 4.824) 7.130 14.748 ( -0.144 3.370 0.337) 3.390 15.393 ( -10.179 -3.970 -0.118) 10.926 15.697 ( -0.458 0.779 2.381) 2.547 15.981 ( -4.086 -7.984 3.135) 9.502 16.273 ( 1.302 -0.763 10.657) 10.763 16.843 ( -7.886 5.736 -3.347) 10.310 17.325 ( -0.228 3.365 6.282) 7.130 17.384 ( 17.925 -0.420 -22.879) 29.068 18.292 ( -2.375 -1.111 2.798) 3.834======================= Grid point 138 (59/172) =======================q-point: ( 0.30 0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.429 ( 4.188 0.000 0.586) 4.229 1.488 ( -0.225 -0.000 -1.173) 1.194 1.747 ( 0.510 0.000 6.999) 7.017 1.909 ( 1.118 0.000 3.504) 3.678 1.929 ( 0.010 0.000 1.079) 1.079 2.001 ( -2.471 -0.000 -3.642) 4.402 2.201 ( 4.393 0.000 0.003) 4.393 2.333 ( 2.400 0.000 -4.053) 4.710 2.369 ( -1.387 -0.000 -1.253) 1.869 2.602 ( -1.775 -0.000 2.003) 2.676 2.715 ( -5.362 -0.000 0.362) 5.374 2.798 ( 4.702 0.000 4.232) 6.326 3.091 ( 0.886 0.000 -1.790) 1.997 3.121 ( 0.049 0.000 -6.481) 6.481 3.339 ( -5.558 -0.000 -0.757) 5.610 3.359 ( -7.853 -0.000 -4.549) 9.075 3.567 ( -3.015 -0.000 2.834) 4.137 3.809 ( 6.347 0.000 0.652) 6.381 4.483 ( -11.819 -0.000 7.692) 14.101 4.502 ( -2.709 -0.000 -12.925) 13.206 4.821 ( -4.145 -0.000 0.930) 4.248 4.843 ( -2.021 -0.000 -7.791) 8.049 5.220 ( -14.250 -0.000 8.861) 16.781 5.534 ( -4.203 -0.000 4.289) 6.005 5.600 ( -2.392 -0.000 1.559) 2.855 5.662 ( 5.227 0.000 -3.665) 6.384 6.053 ( 1.361 0.000 -7.426) 7.550 6.621 ( -2.623 -0.000 20.649) 20.815 6.971 ( 6.669 0.000 -2.986) 7.307 7.300 ( -1.524 -0.000 7.886) 8.032 7.987 ( -1.351 -0.000 -8.277) 8.386 8.302 ( 9.123 0.000 -15.824) 18.265 8.777 ( -17.740 -0.000 12.634) 21.779 9.435 ( 7.657 0.000 -6.481) 10.031 9.775 ( 6.416 0.000 1.307) 6.547 9.943 ( 9.338 0.000 -2.550) 9.680 12.584 ( -1.416 -0.000 -3.087) 3.396 12.835 ( 1.774 0.000 5.025) 5.329 14.365 ( -1.392 -0.000 -6.230) 6.384 14.653 ( -2.731 -0.000 -3.197) 4.205 15.095 ( 3.863 0.000 7.290) 8.251 15.649 ( 15.410 0.000 3.470) 15.796 16.113 ( -0.968 -0.000 -6.761) 6.830 16.413 ( -6.900 -0.000 12.944) 14.669 17.168 ( -1.763 -0.000 -3.531) 3.947 17.254 ( -1.955 -0.000 -5.719) 6.044 17.802 ( -5.575 -0.000 6.619) 8.654 17.960 ( 0.047 0.000 -3.107) 3.107======================= Grid point 139 (60/172) =======================q-point: (-0.60 0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.455 ( -1.596 1.364 -1.059) 2.351 1.529 ( 4.580 -3.676 -0.952) 5.950 1.737 ( -4.395 0.719 7.596) 8.805 1.864 ( -4.145 0.749 -1.494) 4.469 1.936 ( 1.068 0.136 4.867) 4.985 1.969 ( -1.983 -1.763 2.042) 3.348 2.292 ( 4.193 1.775 -1.354) 4.750 2.350 ( -1.106 1.531 -1.832) 2.631 2.412 ( 6.270 5.288 -2.949) 8.716 2.509 ( -2.058 -4.269 0.782) 4.803 2.739 ( 4.180 0.526 -0.470) 4.239 2.876 ( 2.528 -0.464 4.404) 5.099 3.049 ( -3.000 5.845 -0.132) 6.571 3.125 ( 1.277 -1.706 -6.762) 7.090 3.157 ( -14.399 -1.150 0.587) 14.456 3.207 ( -8.121 -0.121 -4.397) 9.236 3.454 ( -10.505 0.712 4.389) 11.407 3.924 ( 6.294 0.906 1.675) 6.576 4.232 ( -16.136 0.327 10.594) 19.306 4.415 ( -7.562 -3.176 -11.416) 14.056 4.732 ( -4.120 0.055 -3.967) 5.720 4.785 ( 0.073 -0.439 -15.109) 15.115 5.097 ( -3.207 -0.830 7.679) 8.363 5.507 ( -3.883 -2.268 7.928) 9.115 5.574 ( -0.005 0.504 4.338) 4.367 5.719 ( 1.634 -0.045 -7.695) 7.867 6.071 ( 2.039 -1.084 -4.005) 4.623 6.611 ( -3.444 -0.382 20.401) 20.693 7.027 ( 0.845 -0.735 -0.020) 1.120 7.344 ( 3.456 -1.739 7.067) 8.056 7.869 ( -10.959 -0.248 -15.463) 18.954 8.321 ( -1.895 2.904 -15.185) 15.575 8.620 ( -3.479 -0.096 15.399) 15.787 9.463 ( 1.276 0.744 -3.982) 4.247 10.033 ( 19.381 0.441 -1.985) 19.487 10.112 ( 10.245 -0.541 -0.450) 10.269 12.560 ( -0.683 -0.014 -2.169) 2.274 12.868 ( 1.092 0.131 3.699) 3.859 14.341 ( -0.466 -0.163 -3.797) 3.829 14.622 ( -0.237 0.110 -1.374) 1.399 15.180 ( 4.247 -0.526 6.361) 7.666 15.895 ( 12.767 4.102 0.459) 13.418 16.059 ( -2.383 0.455 -6.621) 7.051 16.282 ( -10.766 0.221 12.343) 16.380 17.090 ( -4.505 3.329 -4.902) 7.444 17.225 ( -2.155 -5.779 -8.812) 10.756 17.728 ( -5.040 -0.986 8.736) 10.134 17.996 ( 3.857 -0.950 -0.259) 3.981======================= Grid point 140 (61/172) =======================q-point: (-0.50 0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.369 ( -5.522 5.177 0.436) 7.581 1.608 ( -8.562 4.336 9.456) 13.473 1.666 ( 7.461 -3.102 -1.798) 8.278 1.814 ( -2.512 -2.963 -0.769) 3.960 1.937 ( -0.965 0.308 3.178) 3.335 1.987 ( -1.222 -4.111 4.777) 6.420 2.236 ( -6.550 1.355 -0.090) 6.689 2.340 ( 4.106 3.853 -2.321) 6.090 2.398 ( 1.612 4.628 -1.507) 5.128 2.639 ( 4.282 -1.948 -1.921) 5.081 2.749 ( -10.670 2.299 1.562) 11.026 2.821 ( -2.373 -1.260 1.002) 2.868 2.908 ( -6.477 12.531 3.587) 14.555 2.977 ( -1.930 -0.501 2.637) 3.306 3.093 ( -4.950 -2.906 -4.955) 7.582 3.186 ( 0.775 0.038 -1.349) 1.556 3.273 ( -3.480 -1.822 -3.140) 5.029 3.926 ( -5.888 2.615 7.433) 9.837 4.109 ( -0.320 -1.879 4.196) 4.608 4.286 ( -7.958 -7.090 -8.329) 13.526 4.669 ( -2.397 1.075 -2.494) 3.622 4.831 ( 6.999 -0.918 -15.364) 16.908 5.103 ( 1.196 -0.021 5.450) 5.580 5.441 ( -8.315 -5.143 4.976) 10.971 5.611 ( 1.872 -1.280 7.106) 7.459 5.697 ( -1.925 -0.464 -6.930) 7.208 6.128 ( 3.626 -1.154 -2.350) 4.472 6.557 ( -8.341 -0.542 16.917) 18.869 7.075 ( 2.764 -4.237 5.578) 7.530 7.455 ( 5.479 -1.999 5.206) 7.818 7.595 ( -15.429 -0.551 -18.139) 23.819 8.148 ( -9.997 4.389 -15.078) 18.616 8.654 ( 3.309 2.334 12.544) 13.181 9.494 ( 4.034 1.960 -3.063) 5.431 10.284 ( 9.471 -0.476 1.293) 9.571 10.362 ( 17.877 0.382 -2.904) 18.115 12.554 ( 0.286 -0.110 -1.100) 1.142 12.881 ( -0.020 0.283 1.402) 1.431 14.337 ( 0.843 0.518 -0.157) 1.002 14.635 ( 1.814 0.153 0.836) 2.003 15.272 ( 3.657 -2.068 4.980) 6.515 15.916 ( -1.968 4.649 -6.455) 8.195 16.084 ( -2.563 1.497 4.462) 5.359 16.107 ( -3.879 1.071 5.702) 6.979 16.958 ( -4.765 4.387 -5.897) 8.759 17.246 ( 0.508 -5.760 -12.616) 13.878 17.684 ( -4.554 -3.478 9.876) 11.418 18.094 ( 5.079 -2.156 2.535) 6.072======================= Grid point 141 (62/172) =======================q-point: (-0.40 0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.182 ( -7.152 10.977 4.761) 13.939 1.398 ( -10.847 9.254 13.514) 19.645 1.818 ( 7.289 -1.160 -4.186) 8.485 1.834 ( 1.054 -4.525 -1.120) 4.779 1.921 ( -3.126 -2.869 3.480) 5.488 1.989 ( -3.212 -5.765 1.112) 6.692 2.163 ( -0.066 1.547 2.398) 2.854 2.366 ( 1.021 8.342 -2.310) 8.716 2.374 ( 3.567 7.389 -2.673) 8.630 2.469 ( -10.493 -1.528 2.632) 10.925 2.603 ( -11.863 8.849 5.086) 15.649 2.680 ( -1.380 3.319 0.616) 3.647 2.846 ( -3.955 -1.967 0.272) 4.425 2.975 ( -1.347 -2.050 0.220) 2.462 3.036 ( -3.722 -4.111 -2.441) 6.059 3.193 ( 4.678 -1.198 6.856) 8.386 3.411 ( 14.024 2.997 -12.396) 18.956 3.845 ( -2.889 -1.177 5.413) 6.248 4.065 ( -3.647 1.867 -2.784) 4.953 4.325 ( 1.663 -9.984 0.771) 10.151 4.618 ( -0.956 2.445 -1.146) 2.865 4.915 ( 0.783 -2.481 -2.924) 3.914 5.153 ( 3.688 0.153 0.852) 3.789 5.366 ( -4.750 -5.482 -1.830) 7.481 5.664 ( 0.656 -1.972 -2.508) 3.257 5.683 ( 0.478 -3.769 4.041) 5.546 6.193 ( 3.254 -0.431 -1.276) 3.522 6.404 ( -12.616 -0.871 14.986) 19.608 7.169 ( -6.271 -8.624 1.613) 10.784 7.372 ( -0.541 -0.258 -13.699) 13.712 7.567 ( 3.453 -1.777 0.731) 3.951 7.892 ( -8.718 6.216 -11.881) 15.994 8.694 ( 1.938 4.851 10.486) 11.715 9.532 ( 3.309 3.410 -3.808) 6.089 10.424 ( 5.266 -1.007 2.065) 5.745 10.613 ( 11.521 1.005 -1.821) 11.707 12.567 ( 1.057 -0.202 0.069) 1.079 12.865 ( -1.542 0.368 -1.435) 2.138 14.367 ( 3.301 1.371 4.147) 5.474 14.682 ( 3.178 0.145 3.525) 4.748 15.351 ( 0.852 -4.163 3.415) 5.452 15.834 ( -1.259 2.648 -7.411) 7.970 15.906 ( -9.871 1.344 6.967) 12.156 16.151 ( 2.244 1.077 2.825) 3.765 16.855 ( -0.378 4.076 -7.157) 8.245 17.276 ( 1.583 -1.920 -15.451) 15.650 17.656 ( -5.962 -4.923 9.449) 12.209 18.198 ( 3.099 -2.739 4.325) 5.984======================= Grid point 142 (63/172) =======================q-point: (-0.30 0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.997 ( -1.173 13.199 9.108) 16.079 1.182 ( -3.976 12.725 15.002) 20.070 1.872 ( -2.483 0.385 -2.888) 3.829 1.885 ( 2.081 -0.123 -1.406) 2.514 1.936 ( 3.277 -2.872 -0.573) 4.395 2.014 ( 1.398 -1.179 0.629) 1.934 2.183 ( 3.441 8.717 4.584) 10.432 2.230 ( 0.226 6.944 0.474) 6.964 2.323 ( -6.105 2.124 2.634) 6.980 2.392 ( 4.454 3.578 -0.183) 5.716 2.500 ( -3.473 -1.253 3.621) 5.171 2.653 ( 3.761 -0.794 -1.498) 4.126 2.776 ( -4.825 -2.774 0.046) 5.566 2.958 ( -3.036 -3.237 -2.145) 4.929 3.026 ( -2.370 -4.301 -1.832) 5.242 3.321 ( 5.003 -1.540 8.086) 9.632 3.566 ( 8.617 4.631 -6.542) 11.768 3.867 ( 1.996 -2.135 -1.587) 3.326 4.008 ( -0.350 0.900 -2.636) 2.808 4.423 ( 1.355 -3.340 1.099) 3.768 4.615 ( 3.372 0.931 1.304) 3.733 4.898 ( -5.399 -5.258 7.697) 10.773 5.159 ( -3.546 -0.499 4.043) 5.400 5.419 ( 5.059 -4.695 -14.411) 15.979 5.696 ( 0.530 -2.886 -1.297) 3.208 5.763 ( 4.759 -3.620 1.760) 6.233 6.224 ( -7.732 -1.785 11.453) 13.933 6.252 ( -1.182 -0.868 5.658) 5.845 7.013 ( -11.809 -6.934 -15.111) 20.393 7.428 ( -5.197 1.663 -9.984) 11.378 7.603 ( 7.165 -5.814 0.732) 9.256 7.831 ( 9.012 6.033 -2.271) 11.080 8.664 ( -1.873 6.573 10.360) 12.411 9.519 ( -0.005 4.164 -4.501) 6.132 10.480 ( -0.637 -1.240 1.970) 2.413 10.712 ( 1.250 1.635 -0.364) 2.090 12.592 ( 1.353 -0.277 1.296) 1.894 12.818 ( -2.848 0.330 -3.610) 4.610 14.440 ( 5.313 2.036 6.996) 9.018 14.748 ( 3.249 0.344 6.006) 6.837 15.375 ( -4.111 -5.622 1.849) 7.206 15.769 ( -5.495 1.100 5.393) 7.777 15.821 ( 2.218 -1.049 -9.344) 9.661 16.189 ( 2.278 -0.112 6.019) 6.437 16.864 ( 5.681 1.454 -7.627) 9.620 17.276 ( 2.558 1.481 -18.515) 18.749 17.572 ( -9.912 -1.730 9.688) 13.968 18.255 ( -0.397 -2.679 4.620) 5.355======================= Grid point 143 (64/172) =======================q-point: (-0.20 0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.993 ( 10.387 10.621 8.478) 17.105 1.109 ( 5.834 13.676 12.196) 19.231 1.778 ( -4.149 4.485 0.193) 6.113 1.883 ( 4.283 11.946 1.228) 12.750 1.979 ( 0.900 3.568 -0.638) 3.734 2.066 ( 2.106 -4.212 3.326) 5.765 2.176 ( 3.611 3.545 -0.512) 5.087 2.262 ( 7.693 0.310 0.497) 7.716 2.353 ( 6.050 0.942 0.480) 6.141 2.396 ( -3.205 2.309 1.212) 4.132 2.489 ( 3.191 -5.450 1.958) 6.612 2.744 ( -1.134 -2.357 1.036) 2.813 2.826 ( 9.957 -4.115 -1.450) 10.871 2.925 ( -3.718 -3.768 -2.996) 6.082 3.002 ( -3.673 -2.853 -0.630) 4.693 3.397 ( 2.074 1.220 4.825) 5.392 3.598 ( 0.823 2.809 0.697) 3.009 3.895 ( -1.592 -4.072 -1.754) 4.711 3.991 ( -1.319 2.302 -4.616) 5.324 4.470 ( 4.808 1.228 0.848) 5.035 4.708 ( 4.592 -0.150 4.024) 6.107 4.913 ( 3.236 -4.060 3.038) 6.015 5.120 ( -1.719 -1.034 5.438) 5.796 5.430 ( -6.999 -3.882 -8.698) 11.820 5.741 ( 2.861 -2.236 -4.147) 5.512 5.913 ( 7.853 -2.630 -2.110) 8.547 6.143 ( -4.724 -2.376 18.121) 18.877 6.290 ( 0.392 -3.382 1.957) 3.927 6.896 ( -4.814 -6.523 -16.070) 17.999 7.263 ( -5.586 1.809 -10.851) 12.338 7.851 ( 10.717 -7.116 1.146) 12.916 7.972 ( 13.035 5.595 -5.109) 15.077 8.556 ( -5.451 7.212 12.158) 15.150 9.452 ( -1.928 3.722 -4.014) 5.803 10.433 ( -6.327 -1.395 1.293) 6.606 10.624 ( -8.971 2.449 0.614) 9.320 12.623 ( 1.485 -0.307 2.501) 2.925 12.757 ( -2.915 -0.068 -4.274) 5.174 14.525 ( 4.887 2.113 7.005) 8.799 14.793 ( 1.329 1.753 5.155) 5.605 15.312 ( -8.673 -4.911 -0.603) 9.985 15.710 ( -1.388 0.706 1.898) 2.455 15.871 ( -0.060 -4.669 -5.321) 7.080 16.261 ( 3.690 -0.591 9.069) 9.808 16.911 ( -0.095 2.446 -5.028) 5.592 17.347 ( 13.606 -1.305 -21.853) 25.776 17.411 ( -7.855 3.657 9.804) 13.084 18.256 ( -3.092 -2.689 4.404) 6.015======================= Grid point 144 (65/172) =======================q-point: (-0.10 0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 8.536 10.315 8.261) 15.732 1.180 ( 12.883 11.229 4.805) 17.752 1.686 ( -2.905 1.781 -0.400) 3.431 1.866 ( 3.700 8.697 4.020) 10.271 1.979 ( 4.320 4.198 -0.971) 6.102 2.111 ( -0.025 0.491 6.793) 6.811 2.223 ( 3.752 -0.009 -3.852) 5.377 2.304 ( -1.557 0.149 1.194) 1.968 2.388 ( 2.640 -0.548 2.790) 3.881 2.583 ( 18.272 -0.290 -4.000) 18.707 2.600 ( 2.291 -5.799 -1.268) 6.363 2.759 ( -0.404 -1.322 1.926) 2.371 2.842 ( -6.870 -1.216 5.346) 8.789 2.904 ( -2.503 -1.951 -3.309) 4.585 3.107 ( 10.287 -3.484 -2.516) 11.149 3.383 ( -1.291 4.261 2.757) 5.237 3.622 ( 3.467 -1.289 3.092) 4.821 3.884 ( -5.194 -0.346 0.372) 5.218 3.910 ( -0.175 -1.379 -9.910) 10.007 4.593 ( 10.432 3.325 4.709) 11.919 4.746 ( 0.844 -0.519 2.372) 2.571 5.063 ( 6.010 0.310 -1.643) 6.238 5.173 ( 4.186 -2.465 4.783) 6.817 5.281 ( -7.762 -4.076 -2.240) 9.049 5.784 ( -0.109 -3.098 -5.037) 5.914 6.024 ( 3.759 0.115 3.935) 5.443 6.165 ( -0.402 -2.885 11.368) 11.735 6.317 ( -1.726 -3.366 2.672) 4.631 6.893 ( -0.406 -5.357 -11.196) 12.419 7.206 ( 3.200 -1.186 -12.522) 12.979 8.021 ( 2.199 -2.158 -3.334) 4.540 8.113 ( 7.146 5.233 -8.395) 12.203 8.460 ( 1.253 3.473 15.303) 15.742 9.407 ( 1.058 1.333 -3.267) 3.684 10.294 ( -11.586 -0.720 0.701) 11.630 10.391 ( -14.253 2.060 0.875) 14.428 12.658 ( 1.701 -0.186 3.562) 3.952 12.709 ( -2.095 -0.856 -4.211) 4.781 14.599 ( 4.196 1.200 5.522) 7.038 14.774 ( -0.928 4.158 0.236) 4.267 15.174 ( -10.569 -3.108 -3.160) 11.461 15.653 ( -9.101 1.036 5.070) 10.470 15.856 ( -0.444 -1.407 -0.423) 1.535 16.343 ( 3.700 0.650 9.907) 10.596 16.882 ( 5.523 5.365 -2.978) 8.255 17.310 ( -1.936 3.773 4.804) 6.408 17.641 ( 16.005 -8.654 -18.938) 26.263 18.214 ( -5.478 -2.443 4.497) 7.497======================= Grid point 149 (66/172) =======================q-point: (-0.60 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.416 ( -3.154 -0.000 0.609) 3.212 1.613 ( 3.114 0.000 -0.811) 3.218 1.668 ( -2.190 -0.000 7.376) 7.694 1.794 ( -2.814 -0.000 -2.336) 3.657 1.932 ( -1.701 -0.000 2.785) 3.263 1.943 ( -3.768 -0.000 7.520) 8.411 2.256 ( -6.839 -0.000 2.599) 7.316 2.381 ( 4.976 0.000 -1.832) 5.303 2.433 ( 0.532 0.000 -1.620) 1.705 2.616 ( 4.713 0.000 -3.270) 5.736 2.784 ( -14.666 -0.000 2.400) 14.861 2.789 ( -0.304 -0.000 -0.038) 0.307 2.975 ( -1.622 -0.000 2.530) 3.006 3.065 ( -5.362 -0.000 -5.274) 7.521 3.075 ( -2.554 -0.000 6.176) 6.683 3.181 ( 11.151 0.000 -11.889) 16.300 3.234 ( -13.309 -0.000 3.596) 13.786 3.973 ( -13.339 -0.000 12.545) 18.312 4.046 ( 6.317 0.000 4.137) 7.551 4.234 ( -9.273 -0.000 -12.499) 15.563 4.681 ( -1.563 -0.000 -3.312) 3.662 4.823 ( 6.670 0.000 -15.377) 16.762 5.104 ( 2.026 0.000 5.810) 6.153 5.390 ( -8.427 -0.000 4.288) 9.455 5.600 ( 0.844 0.000 7.768) 7.814 5.693 ( -2.576 -0.000 -7.398) 7.834 6.116 ( 4.359 0.000 -2.823) 5.193 6.551 ( -8.474 -0.000 17.324) 19.285 7.034 ( 1.209 0.000 6.837) 6.943 7.437 ( 6.265 0.000 4.609) 7.777 7.591 ( -15.383 -0.000 -18.038) 23.707 8.188 ( -10.301 -0.000 -15.041) 18.230 8.676 ( 4.322 0.000 12.273) 13.012 9.512 ( 4.396 0.000 -2.962) 5.301 10.279 ( 9.037 0.000 1.302) 9.130 10.366 ( 18.374 0.000 -3.262) 18.662 12.553 ( 0.262 0.000 -1.136) 1.166 12.884 ( -0.005 -0.000 1.369) 1.369 14.343 ( 1.140 0.000 0.574) 1.276 14.636 ( 1.787 0.000 0.875) 1.990 15.252 ( 3.103 0.000 4.502) 5.468 15.954 ( -4.165 -0.000 -7.884) 8.917 16.104 ( -12.135 -0.000 11.287) 16.572 16.113 ( 5.685 0.000 1.716) 5.939 17.024 ( -4.938 -0.000 -6.188) 7.917 17.163 ( 2.533 0.000 -14.847) 15.061 17.656 ( -4.699 -0.000 11.456) 12.383 18.075 ( 5.178 0.000 2.076) 5.578======================= Grid point 151 (67/172) =======================q-point: (-0.50 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.337 ( -3.895 5.303 3.118) 7.280 1.512 ( -8.509 3.015 10.218) 13.635 1.774 ( -0.093 -0.587 -0.081) 0.600 1.794 ( 7.725 -1.301 -1.422) 7.962 1.838 ( -6.937 -4.270 3.901) 9.032 1.926 ( -0.282 -1.855 2.536) 3.155 2.188 ( -3.020 1.125 4.107) 5.221 2.423 ( -4.811 0.157 -2.122) 5.261 2.434 ( -0.250 0.271 -2.647) 2.673 2.480 ( -2.471 2.294 0.696) 3.443 2.698 ( -3.529 2.343 1.911) 4.647 2.740 ( -3.582 -1.772 1.179) 4.167 2.928 ( -6.341 8.922 2.535) 11.235 2.957 ( -2.813 0.311 1.285) 3.108 2.977 ( -3.740 -1.926 -4.878) 6.442 3.183 ( 3.831 0.015 7.987) 8.858 3.436 ( 18.069 -0.234 -15.614) 23.881 3.821 ( -6.910 -1.102 8.755) 11.208 4.071 ( -7.038 -1.173 -7.708) 10.504 4.184 ( 6.353 -3.828 6.315) 9.741 4.655 ( -0.109 1.243 -2.252) 2.575 4.884 ( -0.805 -0.910 -2.612) 2.881 5.157 ( 2.334 0.176 3.762) 4.431 5.293 ( -1.700 -2.244 -6.411) 7.002 5.632 ( 0.831 -1.364 5.595) 5.819 5.641 ( -1.300 -0.836 -4.159) 4.436 6.190 ( 4.035 -0.011 -1.647) 4.359 6.390 ( -13.063 -0.554 15.249) 20.087 7.057 ( -6.133 -3.342 5.183) 8.698 7.369 ( -2.090 -0.117 -14.234) 14.387 7.547 ( 4.147 -0.499 -0.520) 4.209 7.969 ( -8.516 2.218 -11.938) 14.831 8.758 ( 2.877 1.923 9.777) 10.371 9.576 ( 3.583 1.292 -3.789) 5.373 10.411 ( 5.218 -0.384 2.116) 5.644 10.626 ( 11.797 0.383 -2.437) 12.052 12.564 ( 1.042 -0.076 0.011) 1.045 12.870 ( -1.547 0.156 -1.509) 2.166 14.386 ( 3.598 0.598 5.626) 6.705 14.684 ( 3.154 0.065 3.558) 4.755 15.296 ( 0.128 -1.664 1.984) 2.592 15.863 ( -3.446 0.745 -8.585) 9.280 15.923 ( -10.349 0.484 8.474) 13.384 16.162 ( 0.743 0.279 4.041) 4.118 16.919 ( -3.004 2.436 -6.587) 7.638 17.227 ( 5.427 -2.401 -19.742) 20.615 17.609 ( -4.118 -0.905 12.117) 12.830 18.164 ( 3.397 -0.972 4.359) 5.612======================= Grid point 152 (68/172) =======================q-point: (-0.40 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.218 ( -1.079 10.937 6.523) 12.780 1.367 ( -3.631 6.853 11.474) 13.849 1.762 ( -2.959 -6.388 3.034) 7.666 1.837 ( 1.684 -2.851 -0.934) 3.440 1.945 ( 5.836 0.300 -4.400) 7.315 1.965 ( 1.407 -2.659 3.015) 4.259 2.146 ( -1.833 -4.094 4.925) 6.662 2.298 ( -2.124 -0.386 -0.259) 2.175 2.472 ( 0.746 4.534 -0.882) 4.679 2.496 ( 4.344 1.458 -0.860) 4.662 2.572 ( -2.303 7.733 1.227) 8.162 2.714 ( 0.338 5.229 1.727) 5.517 2.752 ( -4.179 6.251 2.873) 8.049 2.912 ( -3.730 -1.781 -1.783) 4.501 2.950 ( -1.822 -3.766 -3.601) 5.520 3.294 ( 5.296 -1.106 10.393) 11.717 3.637 ( 6.762 3.145 -7.781) 10.778 3.802 ( 0.093 -5.361 -4.968) 7.309 4.010 ( 1.047 -0.513 -3.683) 3.864 4.345 ( 5.945 -3.874 6.594) 9.686 4.654 ( 2.613 2.318 -0.253) 3.502 4.811 ( -7.504 -3.826 11.685) 14.404 5.152 ( -3.586 -0.085 1.669) 3.957 5.352 ( 5.707 -2.734 -16.981) 18.122 5.656 ( 1.483 -1.323 -0.243) 2.003 5.702 ( 5.346 -2.991 1.184) 6.239 6.202 ( -9.944 -0.760 14.684) 17.750 6.243 ( 0.094 -0.152 2.565) 2.571 6.896 ( -12.035 -5.367 -10.542) 16.876 7.450 ( 2.056 0.805 -6.111) 6.498 7.525 ( 0.257 -2.864 -4.541) 5.375 7.922 ( 8.110 3.689 -4.271) 9.880 8.764 ( -1.267 4.158 9.472) 10.422 9.581 ( -0.170 2.525 -4.606) 5.256 10.461 ( -0.720 -0.770 2.015) 2.274 10.736 ( 1.776 0.963 -1.141) 2.320 12.588 ( 1.349 -0.159 1.200) 1.813 12.823 ( -2.920 0.255 -3.782) 4.785 14.474 ( 5.658 1.553 9.280) 10.979 14.752 ( 3.545 0.185 6.739) 7.616 15.288 ( -4.022 -3.670 -0.225) 5.450 15.785 ( -5.778 0.700 4.491) 7.351 15.807 ( -0.964 -0.522 -9.716) 9.778 16.187 ( 1.656 -0.098 6.283) 6.499 16.884 ( 2.406 0.760 -6.657) 7.120 17.281 ( 3.888 -0.419 -21.157) 21.516 17.561 ( -5.045 0.111 11.563) 12.616 18.213 ( -0.427 -1.762 5.429) 5.723======================= Grid point 153 (69/172) =======================q-point: (-0.30 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.182 ( 6.628 10.068 6.184) 13.548 1.327 ( 4.892 9.903 10.393) 15.167 1.766 ( -4.045 -3.866 -1.983) 5.936 1.879 ( 0.318 -3.013 -1.587) 3.420 1.973 ( -0.939 -2.933 1.610) 3.475 2.049 ( 3.425 -2.732 4.421) 6.224 2.226 ( 5.489 -3.598 2.760) 7.120 2.376 ( 6.558 2.451 -0.678) 7.034 2.411 ( 3.238 4.255 -0.887) 5.420 2.466 ( -1.587 7.441 0.007) 7.608 2.512 ( 4.537 14.396 2.542) 15.307 2.717 ( 0.928 -0.323 3.610) 3.741 2.767 ( 8.643 -1.972 -1.446) 8.983 2.863 ( -3.344 -2.987 -3.465) 5.667 2.947 ( -2.089 -3.201 -1.700) 4.183 3.399 ( 3.367 -0.646 9.090) 9.715 3.644 ( -1.047 2.139 2.238) 3.269 3.811 ( -2.775 -5.666 -7.878) 10.093 4.026 ( -1.703 1.495 -3.290) 3.995 4.472 ( 7.165 -0.534 -1.530) 7.346 4.723 ( 6.335 1.337 3.372) 7.300 4.836 ( 3.914 -4.223 12.261) 13.546 5.086 ( -3.844 -1.988 0.580) 4.366 5.365 ( -5.210 -3.168 -9.949) 11.669 5.709 ( 3.486 -1.248 -7.124) 8.029 5.861 ( 8.583 -2.942 0.752) 9.105 6.105 ( -5.172 -1.669 19.470) 20.214 6.251 ( -0.603 -1.013 1.639) 2.019 6.776 ( -4.454 -6.472 -14.199) 16.227 7.295 ( -7.618 1.672 -9.821) 12.541 7.730 ( 11.414 -5.572 -0.784) 12.726 8.074 ( 13.230 4.916 -5.015) 14.979 8.677 ( -5.654 5.798 10.985) 13.647 9.515 ( -2.983 3.044 -4.348) 6.088 10.410 ( -6.324 -1.126 1.229) 6.540 10.662 ( -8.625 1.690 -0.146) 8.790 12.618 ( 1.536 -0.221 2.360) 2.825 12.758 ( -3.197 0.170 -4.702) 5.688 14.568 ( 4.723 2.438 9.611) 10.982 14.817 ( 2.448 1.053 8.518) 8.925 15.224 ( -7.410 -4.575 -1.596) 8.854 15.722 ( -1.574 0.704 0.169) 1.733 15.803 ( 0.089 -2.974 -9.829) 10.269 16.252 ( 3.861 -0.408 8.324) 9.185 16.942 ( 5.046 1.163 -5.972) 7.904 17.318 ( 5.836 -1.522 -19.847) 20.743 17.474 ( -5.155 3.052 10.651) 12.220 18.206 ( -3.567 -2.579 5.357) 6.933======================= Grid point 154 (70/172) =======================q-point: (-0.20 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.253 ( 8.483 7.704 4.205) 12.206 1.381 ( 9.067 9.829 6.526) 14.880 1.696 ( -4.551 -0.806 -2.877) 5.444 1.889 ( -3.650 -4.044 0.333) 5.458 1.974 ( -1.068 -2.695 1.905) 3.469 2.142 ( 4.995 -0.687 4.208) 6.568 2.311 ( -4.156 6.196 -0.004) 7.461 2.360 ( 0.326 5.280 2.345) 5.787 2.409 ( 10.116 -0.262 3.506) 10.709 2.511 ( 4.258 5.008 -1.326) 6.706 2.627 ( 15.018 2.384 -3.844) 15.684 2.739 ( 2.614 -0.642 0.558) 2.749 2.824 ( -4.243 -0.622 3.290) 5.405 2.871 ( -2.062 -1.480 0.451) 2.578 3.042 ( 12.329 -3.574 -4.649) 13.652 3.446 ( 0.495 2.406 5.886) 6.378 3.603 ( -1.729 -0.721 4.647) 5.010 3.823 ( 1.032 -4.554 -3.322) 5.730 3.922 ( -6.013 0.755 -5.466) 8.161 4.622 ( 11.120 1.030 -2.688) 11.487 4.786 ( 1.705 3.873 5.638) 7.050 5.022 ( 9.066 -4.001 -2.140) 10.138 5.115 ( 4.099 -5.002 8.124) 10.384 5.223 ( -10.968 -1.748 -4.140) 11.853 5.740 ( 0.480 -1.903 -9.240) 9.446 6.009 ( 4.244 -1.588 4.532) 6.409 6.116 ( -0.600 -2.373 15.948) 16.135 6.260 ( -0.335 -2.632 2.794) 3.854 6.802 ( 3.428 -4.868 -12.877) 14.187 7.186 ( -1.470 -0.872 -8.802) 8.966 7.942 ( 6.028 -5.059 -5.589) 9.653 8.231 ( 11.108 6.559 -7.296) 14.820 8.541 ( -4.857 4.951 14.594) 16.158 9.440 ( -1.152 2.041 -3.410) 4.138 10.278 ( -10.016 -0.968 0.289) 10.067 10.427 ( -15.859 1.855 0.542) 15.976 12.655 ( 1.897 -0.197 3.397) 3.896 12.700 ( -2.474 -0.253 -4.670) 5.291 14.629 ( 3.070 2.007 7.927) 8.735 14.837 ( 0.257 3.050 5.563) 6.349 15.113 ( -8.985 -3.539 -3.002) 10.112 15.664 ( -6.890 0.203 -3.254) 7.622 15.821 ( 2.064 -2.201 -4.857) 5.718 16.346 ( 4.246 -0.257 9.621) 10.520 16.983 ( 5.666 5.647 -3.717) 8.821 17.370 ( -1.967 2.417 2.660) 4.097 17.505 ( 11.311 -6.002 -11.701) 17.346 18.162 ( -5.514 -3.020 4.997) 8.031======================= Grid point 155 (71/172) =======================q-point: (-0.10 0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.330 ( 7.457 7.783 2.358) 11.034 1.469 ( 9.251 8.443 3.257) 12.941 1.641 ( -1.846 -0.959 -1.454) 2.538 1.853 ( -4.138 -4.469 2.186) 6.471 1.986 ( -0.319 0.110 0.439) 0.554 2.197 ( -3.653 3.358 0.424) 4.980 2.227 ( 3.251 0.442 -0.247) 3.290 2.366 ( 1.687 -0.050 7.295) 7.487 2.440 ( -0.755 5.182 -0.847) 5.305 2.544 ( -5.211 -1.475 0.752) 5.468 2.724 ( -1.090 0.024 4.113) 4.255 2.791 ( 7.026 -0.168 0.128) 7.029 2.857 ( 2.072 -0.936 -1.360) 2.649 2.956 ( 15.321 0.923 -4.907) 16.114 3.241 ( 7.655 -1.703 -4.594) 9.089 3.393 ( -2.728 4.590 3.714) 6.504 3.622 ( -1.004 -3.521 4.971) 6.174 3.774 ( -6.651 0.449 -3.382) 7.474 4.000 ( 14.076 -2.678 -6.754) 15.841 4.765 ( 0.374 1.440 -0.287) 1.515 4.832 ( 13.028 2.130 2.398) 13.417 5.035 ( -10.653 -0.413 -1.835) 10.818 5.124 ( 1.197 -1.647 3.862) 4.366 5.332 ( 10.290 -6.377 1.512) 12.200 5.755 ( 2.015 -1.683 -7.977) 8.398 6.011 ( -7.525 -2.904 7.762) 11.194 6.153 ( -1.774 -1.739 10.954) 11.232 6.316 ( 5.356 0.321 4.313) 6.884 6.852 ( 0.304 -0.388 -5.372) 5.395 7.274 ( 9.998 -6.216 -10.186) 15.568 7.921 ( -8.627 0.903 -7.458) 11.439 8.274 ( 3.884 8.581 -5.702) 11.010 8.589 ( 8.991 -1.538 10.753) 14.100 9.447 ( 3.584 0.145 -2.818) 4.561 10.042 ( -18.468 1.690 1.220) 18.585 10.163 ( -11.791 -0.697 -0.611) 11.828 12.659 ( -1.688 -0.739 -4.131) 4.524 12.700 ( 2.183 -0.103 4.013) 4.569 14.678 ( 2.506 0.978 4.559) 5.294 14.792 ( -1.424 4.580 -0.324) 4.807 14.974 ( -8.926 -1.949 -4.719) 10.283 15.480 ( -11.311 1.270 5.349) 12.577 15.901 ( 5.638 -1.488 -4.638) 7.451 16.427 ( 2.842 0.300 9.635) 10.050 17.057 ( 8.369 5.020 -1.076) 9.819 17.339 ( 1.269 3.036 0.723) 3.369 17.743 ( 9.064 -8.702 -10.880) 16.621 18.089 ( -6.863 -2.457 4.710) 8.679======================= Grid point 161 (72/172) =======================q-point: ( 0.50 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.346 ( 0.988 0.000 4.408) 4.517 1.408 ( -6.256 0.000 9.606) 11.464 1.704 ( -1.456 0.000 5.002) 5.210 1.811 ( 2.389 0.000 -0.423) 2.427 1.929 ( 1.138 0.000 3.887) 4.050 1.952 ( 6.679 0.000 -3.649) 7.611 2.103 ( -5.901 0.000 6.163) 8.533 2.293 ( -1.399 0.000 -0.978) 1.707 2.488 ( 4.493 0.000 -1.371) 4.697 2.545 ( 2.131 -0.000 -1.477) 2.593 2.606 ( -4.968 0.000 2.454) 5.541 2.717 ( 0.478 0.000 1.970) 2.027 2.896 ( -4.198 0.000 -1.335) 4.405 2.909 ( -1.539 0.000 0.802) 1.735 2.916 ( -1.757 0.000 -4.296) 4.641 3.285 ( 5.055 0.000 11.039) 12.142 3.675 ( 9.310 0.000 -19.715) 21.803 3.721 ( -4.901 -0.000 6.007) 7.753 4.002 ( 2.901 0.000 -3.814) 4.792 4.309 ( 7.395 0.000 9.192) 11.798 4.677 ( 2.404 0.000 -0.732) 2.513 4.775 ( -8.370 0.000 11.653) 14.348 5.153 ( -3.413 0.000 1.256) 3.636 5.326 ( 5.467 0.000 -17.842) 18.661 5.648 ( 1.853 0.000 0.461) 1.910 5.669 ( 5.701 -0.000 0.484) 5.722 6.195 ( -11.639 0.000 17.260) 20.817 6.243 ( 1.873 0.000 -0.139) 1.878 6.844 ( -12.244 0.000 -8.507) 14.909 7.458 ( 10.373 0.000 -1.998) 10.564 7.499 ( -8.089 -0.000 -9.318) 12.340 7.956 ( 7.802 0.000 -4.910) 9.218 8.803 ( -1.073 0.000 9.137) 9.200 9.605 ( -0.230 0.000 -4.644) 4.650 10.454 ( -0.754 0.000 2.029) 2.165 10.745 ( 1.926 0.000 -1.365) 2.361 12.586 ( 1.350 0.000 1.171) 1.787 12.826 ( -2.945 0.000 -3.829) 4.831 14.489 ( 5.855 0.000 10.392) 11.928 14.754 ( 3.640 0.000 6.985) 7.877 15.254 ( -4.087 0.000 -1.295) 4.287 15.793 ( -6.107 0.000 5.167) 8.000 15.802 ( -1.702 0.000 -10.789) 10.923 16.186 ( 1.515 0.000 6.368) 6.546 16.891 ( 1.179 0.000 -6.278) 6.388 17.275 ( 4.734 0.000 -21.644) 22.156 17.563 ( -3.762 0.000 11.750) 12.338 18.196 ( -0.488 0.000 5.679) 5.700======================= Grid point 163 (73/172) =======================q-point: (-0.40 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.339 ( 3.185 6.926 5.055) 9.147 1.418 ( 2.907 -0.480 6.207) 6.871 1.723 ( -0.381 0.427 0.309) 0.650 1.847 ( 1.023 -1.134 0.028) 1.527 1.935 ( -3.221 -0.782 2.671) 4.257 1.983 ( 2.954 -3.293 5.691) 7.208 2.153 ( 5.420 -2.870 4.078) 7.365 2.396 ( 12.110 0.505 -2.108) 12.302 2.470 ( -2.344 2.061 -0.271) 3.133 2.530 ( -1.686 1.682 0.558) 2.446 2.673 ( 9.562 0.376 -1.949) 9.766 2.743 ( 0.941 0.569 1.301) 1.704 2.821 ( -2.715 0.349 -3.579) 4.506 2.868 ( 1.923 8.340 0.697) 8.588 2.895 ( -0.310 -1.096 -1.254) 1.694 3.387 ( 3.852 -0.365 11.166) 11.817 3.670 ( -1.579 0.774 2.562) 3.108 3.699 ( -3.144 -5.256 -9.826) 11.578 4.044 ( -2.353 0.538 -2.283) 3.322 4.462 ( 10.303 -0.362 -1.862) 10.476 4.742 ( 5.547 0.574 2.215) 6.000 4.778 ( 5.358 -1.841 16.713) 17.647 5.064 ( -6.049 -0.448 -1.463) 6.240 5.321 ( -4.043 -1.485 -11.196) 11.996 5.696 ( 3.694 -0.222 -10.168) 10.821 5.818 ( 9.180 -1.435 3.458) 9.914 6.085 ( -5.224 -0.569 20.570) 21.231 6.247 ( -1.270 0.217 1.369) 1.880 6.685 ( -4.135 -3.035 -12.518) 13.529 7.318 ( -8.759 0.716 -9.134) 12.675 7.661 ( 11.813 -2.011 -2.193) 12.182 8.136 ( 13.440 1.824 -5.329) 14.573 8.751 ( -5.842 2.217 10.336) 12.078 9.554 ( -3.520 1.163 -4.538) 5.860 10.395 ( -6.330 -0.438 1.177) 6.454 10.683 ( -8.501 0.582 -0.478) 8.534 12.615 ( 1.563 -0.078 2.298) 2.780 12.761 ( -3.333 0.088 -4.881) 5.911 14.602 ( 4.687 1.161 11.799) 12.749 14.831 ( 3.364 0.481 10.773) 11.296 15.161 ( -6.917 -2.082 -3.360) 7.967 15.736 ( -1.078 0.835 -1.450) 1.991 15.762 ( -1.106 -1.609 -11.398) 11.564 16.246 ( 3.746 -0.150 7.956) 8.795 16.956 ( 7.567 0.369 -6.470) 9.963 17.299 ( 2.871 -0.597 -18.101) 18.337 17.513 ( -4.076 1.141 10.418) 11.245 18.172 ( -3.872 -1.050 5.734) 6.998======================= Grid point 164 (74/172) =======================q-point: (-0.30 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( 5.912 5.579 2.274) 8.441 1.488 ( 4.100 1.153 5.280) 6.784 1.666 ( -4.805 -1.401 -3.132) 5.905 1.850 ( -0.864 0.374 1.418) 1.702 1.924 ( -1.470 -1.557 3.805) 4.367 2.093 ( 3.730 -3.775 6.460) 8.360 2.319 ( 8.515 -4.407 3.283) 10.135 2.411 ( -1.166 3.933 -2.818) 4.977 2.441 ( -2.790 2.714 1.559) 4.193 2.660 ( 5.874 1.022 -2.071) 6.312 2.688 ( 4.422 4.213 -2.320) 6.533 2.768 ( 5.994 4.266 -2.049) 7.638 2.829 ( -0.339 1.063 1.828) 2.141 2.879 ( 3.549 5.252 4.839) 7.974 2.983 ( 12.627 -2.831 -6.254) 14.372 3.466 ( 2.916 0.220 9.338) 9.785 3.590 ( -6.996 -1.333 2.583) 7.576 3.739 ( 4.320 -4.027 -3.090) 6.665 3.928 ( -7.701 -0.097 -3.005) 8.267 4.653 ( 12.604 2.333 -6.654) 14.442 4.850 ( 4.467 2.477 5.523) 7.523 4.950 ( 5.955 -3.065 1.502) 6.864 5.017 ( 1.635 -5.134 6.386) 8.355 5.202 ( -7.743 -0.930 -3.634) 8.604 5.714 ( 0.766 -1.026 -13.524) 13.584 5.977 ( 4.634 -1.635 4.391) 6.590 6.086 ( -0.994 -0.969 20.640) 20.687 6.229 ( -0.034 -0.915 3.065) 3.199 6.721 ( 6.771 -3.784 -12.742) 14.917 7.177 ( -5.027 -0.203 -6.585) 8.287 7.866 ( 9.014 -3.086 -7.130) 11.900 8.328 ( 12.111 3.885 -6.990) 14.514 8.619 ( -7.888 3.309 13.492) 15.975 9.472 ( -2.655 1.413 -3.688) 4.759 10.263 ( -9.238 -0.661 0.004) 9.262 10.454 ( -16.586 1.015 0.244) 16.619 12.652 ( 2.006 -0.115 3.291) 3.856 12.698 ( -2.756 -0.033 -4.982) 5.693 14.664 ( 1.791 1.712 10.285) 10.579 14.887 ( 1.775 2.552 10.402) 10.857 15.051 ( -7.531 -3.209 -3.122) 8.761 15.659 ( -6.900 -0.665 -12.633) 14.410 15.788 ( 3.895 -1.240 -4.278) 5.917 16.339 ( 4.423 -0.409 8.911) 9.957 17.076 ( 8.856 4.429 -5.260) 11.212 17.359 ( 5.032 -3.276 -10.633) 12.211 17.460 ( -1.019 0.521 6.040) 6.147 18.115 ( -5.283 -2.033 4.885) 7.477======================= Grid point 165 (75/172) =======================q-point: (-0.20 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.436 ( 5.819 4.205 0.171) 7.182 1.559 ( 3.947 0.264 4.019) 5.639 1.605 ( -3.393 -2.844 -2.366) 5.020 1.810 ( -2.917 1.181 2.617) 4.093 1.935 ( -0.296 -3.516 0.704) 3.598 2.188 ( 1.662 -1.807 4.407) 5.045 2.325 ( -0.763 5.648 -1.499) 5.893 2.370 ( -1.565 1.921 4.001) 4.706 2.514 ( 4.275 -2.013 0.969) 4.823 2.542 ( -6.263 3.792 -1.962) 7.579 2.726 ( -3.289 0.762 2.546) 4.228 2.805 ( 1.204 0.380 2.942) 3.201 2.887 ( 6.674 5.226 -0.281) 8.481 2.992 ( 14.796 3.101 -3.931) 15.620 3.205 ( 9.522 -2.178 -5.893) 11.408 3.459 ( -3.844 2.261 4.900) 6.626 3.560 ( 0.144 -2.909 7.264) 7.826 3.784 ( -6.208 0.518 -4.776) 7.849 3.946 ( 14.770 -3.255 -5.642) 16.142 4.786 ( 2.178 1.555 -2.847) 3.907 4.877 ( 7.970 2.058 -0.801) 8.270 5.001 ( -7.609 -2.352 -1.666) 8.137 5.102 ( 3.648 -1.874 6.141) 7.385 5.230 ( 8.570 -4.033 3.737) 10.181 5.724 ( 2.847 -1.731 -13.770) 14.168 5.962 ( -8.265 -2.483 4.696) 9.825 6.127 ( -0.723 -0.922 18.874) 18.911 6.318 ( 7.863 -0.054 6.230) 10.032 6.854 ( 5.579 0.377 -7.504) 9.358 7.165 ( 3.932 -5.602 -6.438) 9.396 7.927 ( -3.189 -0.159 -11.600) 12.031 8.413 ( 3.930 6.635 -5.188) 9.294 8.573 ( 4.083 -0.371 12.084) 12.760 9.454 ( 2.671 0.529 -3.048) 4.087 10.072 ( -16.345 1.567 0.554) 16.429 10.147 ( -13.980 -0.972 -0.446) 14.021 12.650 ( -1.927 -0.372 -4.570) 4.974 12.698 ( 2.395 -0.065 4.013) 4.673 14.690 ( 0.960 0.646 7.494) 7.582 14.871 ( -2.283 2.906 2.242) 4.322 14.950 ( -5.607 0.215 -1.486) 5.804 15.478 ( -11.591 -1.381 -5.777) 13.024 15.879 ( 6.036 -0.942 -5.443) 8.182 16.425 ( 2.749 -0.425 9.145) 9.559 17.163 ( 7.864 6.639 -0.901) 10.331 17.382 ( 1.017 1.681 -0.181) 1.973 17.593 ( 8.232 -7.980 -5.681) 12.796 18.049 ( -5.283 -1.859 3.849) 6.796======================= Grid point 166 (76/172) =======================q-point: (-0.10 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.487 ( 4.402 4.240 -1.762) 6.360 1.587 ( -1.889 -4.216 -0.524) 4.649 1.646 ( 4.932 -0.303 2.957) 5.759 1.767 ( -1.812 -0.836 2.285) 3.034 1.964 ( -0.798 -3.891 0.641) 4.023 2.156 ( -3.855 3.477 -0.462) 5.211 2.268 ( -1.791 3.639 0.901) 4.155 2.364 ( -2.992 0.996 3.369) 4.615 2.395 ( -5.706 2.249 4.851) 7.820 2.483 ( -0.537 2.581 -1.237) 2.912 2.725 ( -0.143 0.009 -1.752) 1.758 2.867 ( 3.683 -3.888 3.889) 6.619 2.950 ( 5.066 2.804 -0.276) 5.797 3.197 ( 11.505 1.344 -6.388) 13.228 3.290 ( -0.821 1.167 -2.899) 3.231 3.402 ( 0.435 1.319 0.954) 1.685 3.605 ( 0.949 -1.539 3.983) 4.375 3.669 ( -4.422 0.371 -5.567) 7.119 4.220 ( 11.814 -2.129 -4.914) 12.971 4.783 ( 1.265 0.367 -3.237) 3.495 4.854 ( -7.623 -2.704 -1.396) 8.208 5.081 ( 12.558 2.649 1.674) 12.943 5.143 ( 0.413 1.701 9.235) 9.399 5.424 ( 6.943 -6.251 -1.810) 9.516 5.782 ( -3.233 -3.651 -5.224) 7.146 5.815 ( -4.276 -0.136 -1.129) 4.424 6.117 ( -4.624 1.358 14.820) 15.584 6.478 ( 8.893 1.118 8.498) 12.351 6.865 ( 0.586 2.641 -2.280) 3.538 7.344 ( 5.288 -8.904 0.643) 10.375 7.795 ( -2.906 2.121 -14.117) 14.568 8.359 ( -1.218 7.401 -4.884) 8.950 8.767 ( 12.418 -3.724 5.292) 14.003 9.497 ( -2.284 1.262 -0.063) 2.611 9.742 ( -12.759 0.400 -0.426) 12.772 9.983 ( -8.047 -0.450 -1.355) 8.172 12.619 ( -1.345 -0.714 -4.021) 4.300 12.748 ( 2.380 0.105 4.544) 5.131 14.710 ( -0.941 1.403 0.150) 1.696 14.804 ( -1.202 0.540 2.178) 2.546 14.820 ( -6.562 2.482 -8.173) 10.771 15.332 ( -6.157 -2.418 7.381) 9.911 15.977 ( 5.257 -0.981 -5.998) 8.036 16.470 ( -0.036 -0.521 8.916) 8.932 17.211 ( 3.375 4.763 2.001) 6.171 17.417 ( 4.970 2.520 -2.821) 6.246 17.763 ( 2.835 -7.996 -3.464) 9.163 17.993 ( -1.886 0.380 2.004) 2.778======================= Grid point 173 (77/172) =======================q-point: ( 0.60 -0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.450 ( 4.276 0.000 2.667) 5.040 1.456 ( 2.162 0.000 2.035) 2.969 1.656 ( -6.444 -0.000 -2.161) 6.797 1.864 ( 1.099 0.000 0.878) 1.407 1.921 ( -1.766 -0.000 6.134) 6.383 2.047 ( 5.304 0.000 6.983) 8.769 2.272 ( 9.454 0.000 3.528) 10.091 2.449 ( -1.269 -0.000 -2.342) 2.663 2.465 ( -3.264 -0.000 2.135) 3.900 2.665 ( -0.907 -0.000 -3.366) 3.486 2.712 ( 12.980 0.000 -1.613) 13.080 2.789 ( 0.055 0.000 0.137) 0.147 2.844 ( 2.018 0.000 0.309) 2.041 2.953 ( 12.535 0.000 -7.311) 14.511 2.984 ( 5.012 0.000 2.822) 5.752 3.468 ( 3.458 0.000 10.286) 10.852 3.561 ( -7.744 -0.000 0.465) 7.758 3.705 ( 5.395 0.000 -0.947) 5.478 3.925 ( -8.395 -0.000 -2.031) 8.637 4.683 ( 14.911 0.000 -9.181) 17.511 4.862 ( 7.351 0.000 5.472) 9.164 4.945 ( -6.205 -0.000 -3.266) 7.012 4.948 ( 8.068 0.000 13.561) 15.780 5.192 ( -6.347 -0.000 -3.994) 7.499 5.704 ( 0.744 0.000 -15.326) 15.344 5.961 ( 4.741 0.000 4.559) 6.578 6.078 ( -1.035 -0.000 22.383) 22.407 6.222 ( -0.303 -0.000 3.154) 3.169 6.684 ( 8.155 0.000 -12.378) 14.823 7.175 ( -6.250 -0.000 -5.945) 8.626 7.837 ( 9.952 0.000 -7.768) 12.625 8.363 ( 12.423 0.000 -6.973) 14.246 8.650 ( -8.813 -0.000 13.082) 15.773 9.486 ( -3.180 -0.000 -3.805) 4.959 10.257 ( -8.990 -0.000 -0.115) 8.991 10.463 ( -16.803 -0.000 0.141) 16.803 12.651 ( 2.040 0.000 3.258) 3.844 12.697 ( -2.855 -0.000 -5.092) 5.838 14.681 ( 1.214 0.000 11.419) 11.484 14.917 ( 3.218 0.000 14.455) 14.809 15.015 ( -7.572 -0.000 -5.250) 9.214 15.651 ( -7.139 -0.000 -17.441) 18.845 15.777 ( 4.413 0.000 -2.937) 5.301 16.335 ( 4.394 0.000 8.615) 9.670 17.123 ( 12.000 0.000 -6.473) 13.635 17.319 ( 4.030 0.000 -10.872) 11.595 17.469 ( -3.750 -0.000 8.565) 9.350 18.096 ( -5.122 -0.000 4.722) 6.966======================= Grid point 175 (78/172) =======================q-point: (-0.30 0.60 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.487 ( 3.410 1.627 0.184) 3.782 1.519 ( -0.592 -2.396 -0.054) 2.469 1.559 ( -3.297 -1.780 0.656) 3.804 1.859 ( -1.579 2.600 2.417) 3.885 1.893 ( -1.409 -1.457 1.681) 2.632 2.160 ( 4.864 -0.734 6.650) 8.272 2.398 ( -0.986 2.239 -2.133) 3.246 2.407 ( -2.728 1.411 3.512) 4.665 2.477 ( 9.204 -1.603 2.286) 9.618 2.568 ( -5.553 -0.028 -3.912) 6.793 2.743 ( -4.303 0.565 1.226) 4.510 2.812 ( -4.355 0.582 4.117) 6.021 2.983 ( 12.854 3.363 -3.811) 13.822 3.061 ( 7.558 3.635 -0.698) 8.416 3.168 ( 10.441 -1.551 -6.767) 12.538 3.458 ( -4.959 -1.461 5.289) 7.396 3.540 ( 2.659 0.241 8.684) 9.086 3.789 ( -6.269 0.052 -5.973) 8.660 3.897 ( 16.146 -1.634 -3.861) 16.681 4.824 ( -2.162 2.166 -3.884) 4.944 4.886 ( 2.740 -0.902 -3.067) 4.211 4.984 ( 1.288 0.772 -1.444) 2.083 5.044 ( 8.486 -3.542 4.850) 10.396 5.199 ( 5.044 -0.297 8.157) 9.595 5.699 ( 2.638 -0.822 -17.125) 17.346 5.927 ( -8.420 -1.163 1.770) 8.682 6.120 ( 0.430 -0.009 24.376) 24.379 6.316 ( 8.639 -0.093 7.076) 11.167 6.860 ( 11.930 0.253 -9.117) 15.017 7.089 ( -2.827 -2.359 -3.611) 5.158 7.922 ( 0.315 -0.194 -13.694) 13.699 8.502 ( 5.161 2.925 -6.030) 8.458 8.567 ( -0.476 -0.395 13.510) 13.524 9.462 ( 2.057 0.268 -3.242) 3.849 10.096 ( -11.307 1.020 -0.667) 11.373 10.130 ( -18.977 -0.850 0.356) 18.999 12.645 ( -2.097 -0.114 -4.808) 5.247 12.697 ( 2.503 -0.021 3.964) 4.688 14.701 ( -0.465 0.437 9.596) 9.617 14.881 ( -6.575 -0.445 -5.049) 8.302 14.987 ( 1.839 2.091 13.048) 13.342 15.445 ( -12.723 -1.498 -16.388) 20.801 15.868 ( 6.419 -0.240 -5.412) 8.400 16.417 ( 2.661 -0.315 8.651) 9.057 17.285 ( 9.675 6.295 -3.153) 11.966 17.400 ( 2.229 0.307 -2.045) 3.041 17.460 ( 3.577 -6.351 1.274) 7.399 18.026 ( -3.785 -0.626 2.995) 4.867======================= Grid point 176 (79/172) =======================q-point: (-0.20 0.60 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( -4.952 -5.819 -0.135) 7.642 1.538 ( 3.218 1.170 -1.169) 3.618 1.593 ( 1.870 -3.261 1.681) 4.117 1.802 ( -2.253 2.574 2.015) 3.970 1.892 ( -1.850 -3.308 0.081) 3.791 2.210 ( -1.150 2.068 2.654) 3.556 2.333 ( -2.868 3.074 2.973) 5.149 2.371 ( -0.498 1.153 1.070) 1.650 2.475 ( -3.066 3.450 0.755) 4.677 2.547 ( -2.209 4.855 0.590) 5.367 2.705 ( -0.867 -1.423 -0.938) 1.913 2.777 ( 1.815 -5.775 3.881) 7.191 3.044 ( 3.102 6.559 0.027) 7.256 3.211 ( 8.729 -0.500 -4.796) 9.973 3.298 ( 5.119 0.063 -7.054) 8.716 3.418 ( -2.004 0.281 3.812) 4.316 3.591 ( 1.878 0.056 6.356) 6.628 3.678 ( -4.652 0.314 -7.688) 8.991 4.187 ( 13.007 -1.421 -5.837) 14.327 4.784 ( 0.207 -0.207 -3.133) 3.146 4.800 ( -7.907 -2.572 -0.682) 8.342 5.120 ( 11.036 2.413 2.552) 11.581 5.193 ( 4.626 2.230 10.110) 11.340 5.322 ( 6.400 -4.613 -1.327) 8.000 5.733 ( -3.196 -1.304 -6.652) 7.494 5.790 ( -1.657 -2.524 -8.081) 8.627 6.152 ( -2.212 2.153 21.680) 21.898 6.488 ( 8.541 0.103 9.663) 12.897 6.929 ( 1.303 4.620 -3.065) 5.695 7.182 ( 5.618 -8.773 -0.882) 10.455 7.825 ( -4.235 1.181 -13.637) 14.329 8.478 ( -1.593 5.499 -4.950) 7.568 8.705 ( 10.681 -3.145 5.936) 12.618 9.515 ( 0.451 0.783 -1.394) 1.661 9.751 ( -15.964 0.450 0.400) 15.975 9.975 ( -6.783 -0.442 -1.575) 6.978 12.609 ( -1.449 -0.398 -4.229) 4.488 12.750 ( 2.584 0.079 4.381) 5.087 14.708 ( -0.286 -0.298 5.115) 5.132 14.777 ( -5.225 -1.566 -2.918) 6.186 14.949 ( -3.772 8.525 -1.823) 9.499 15.256 ( -8.137 -5.922 -0.041) 10.064 15.967 ( 5.728 -0.203 -6.380) 8.576 16.457 ( -0.504 -0.749 8.424) 8.472 17.310 ( 0.903 6.073 4.157) 7.415 17.449 ( 5.576 1.251 -3.768) 6.845 17.617 ( 3.603 -8.047 -1.231) 8.902 18.005 ( 1.613 0.778 0.876) 1.994======================= Grid point 177 (80/172) =======================q-point: (-0.10 -0.40 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( -5.252 -10.048 1.560) 11.445 1.563 ( 1.684 2.504 -3.429) 4.568 1.673 ( 2.937 -4.109 0.764) 5.108 1.757 ( -2.603 -1.725 3.638) 4.795 1.882 ( -3.509 -4.052 -0.189) 5.364 2.100 ( -6.388 3.118 2.633) 7.580 2.266 ( -1.307 5.661 0.355) 5.821 2.349 ( -1.788 2.358 1.455) 3.298 2.380 ( -1.317 6.130 0.462) 6.287 2.516 ( 1.557 1.223 0.862) 2.160 2.683 ( -2.314 -3.679 -0.202) 4.352 2.920 ( 5.844 -2.323 -0.753) 6.334 3.015 ( -0.139 3.210 0.796) 3.310 3.266 ( -4.070 3.013 1.521) 5.287 3.326 ( 2.540 -0.078 -4.429) 5.106 3.426 ( 3.281 0.258 -4.198) 5.335 3.583 ( -3.214 0.639 -5.541) 6.437 3.648 ( 1.970 -1.164 2.752) 3.579 4.284 ( -0.586 -1.589 -7.730) 7.913 4.677 ( -7.733 -2.844 -0.434) 8.251 4.826 ( 0.349 -1.108 -0.479) 1.257 5.207 ( 1.510 3.036 8.655) 9.296 5.314 ( 10.930 2.915 1.725) 11.443 5.444 ( 0.124 -3.813 -2.811) 4.739 5.617 ( -3.376 0.249 4.482) 5.616 5.868 ( 4.332 -0.287 -10.461) 11.327 6.066 ( -6.578 3.103 10.963) 13.156 6.622 ( 3.689 -0.104 13.608) 14.100 6.917 ( 3.725 3.375 -4.565) 6.790 7.311 ( 0.126 -6.586 9.905) 11.896 7.819 ( 7.078 -1.761 -16.083) 17.660 8.347 ( -5.881 5.938 -5.690) 10.110 8.964 ( 12.896 -3.670 0.428) 13.415 9.251 ( -20.496 0.665 3.852) 20.866 9.764 ( 8.658 0.438 -2.838) 9.121 9.883 ( -2.654 0.535 -1.005) 2.888 12.585 ( -1.008 -0.630 -3.506) 3.702 12.798 ( 2.180 0.292 4.553) 5.057 14.670 ( -4.097 1.765 -4.470) 6.315 14.704 ( -6.859 2.607 -6.993) 10.136 14.819 ( 1.577 -1.895 0.218) 2.475 15.264 ( 0.210 -4.991 10.944) 12.030 16.037 ( 3.512 -0.024 -6.355) 7.261 16.443 ( -4.127 -1.347 8.202) 9.280 17.265 ( -1.841 3.750 3.452) 5.419 17.495 ( 0.342 0.705 -1.309) 1.526 17.708 ( 1.520 -5.126 -2.264) 5.806 18.071 ( 7.285 3.904 0.187) 8.267======================= Grid point 185 (81/172) =======================q-point: (-0.30 -0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.418 ( -6.639 -0.000 0.079) 6.639 1.548 ( 3.570 0.000 -0.313) 3.584 1.562 ( 1.307 0.000 1.254) 1.811 1.840 ( -4.265 -0.000 0.377) 4.282 1.848 ( -1.553 -0.000 0.876) 1.783 2.228 ( -0.050 -0.000 4.799) 4.799 2.364 ( -2.806 -0.000 3.833) 4.750 2.387 ( -0.661 -0.000 -1.994) 2.101 2.500 ( -0.955 -0.000 -0.695) 1.181 2.630 ( 2.659 0.000 3.131) 4.108 2.684 ( -9.646 -0.000 3.846) 10.384 2.696 ( 3.594 0.000 -1.198) 3.788 3.139 ( 0.798 0.000 0.155) 0.813 3.175 ( 7.466 0.000 -4.084) 8.510 3.300 ( 8.640 0.000 -8.880) 12.390 3.418 ( -2.028 -0.000 4.592) 5.020 3.595 ( 1.870 0.000 6.888) 7.137 3.679 ( -4.628 -0.000 -8.259) 9.467 4.173 ( 13.731 0.000 -6.181) 15.058 4.776 ( -8.608 -0.000 -0.089) 8.609 4.781 ( 0.114 0.000 -2.671) 2.673 5.152 ( 9.720 0.000 2.026) 9.929 5.206 ( 9.910 0.000 9.054) 13.423 5.279 ( 3.279 0.000 1.317) 3.533 5.738 ( 6.175 0.000 -17.553) 18.608 5.747 ( -10.255 -0.000 -0.261) 10.258 6.175 ( -0.877 -0.000 23.412) 23.428 6.488 ( 8.283 0.000 10.003) 12.987 7.017 ( -2.054 -0.000 -2.896) 3.550 7.054 ( 9.108 0.000 -1.565) 9.242 7.836 ( -4.550 -0.000 -13.636) 14.375 8.536 ( -1.872 -0.000 -6.286) 6.559 8.668 ( 10.184 0.000 7.436) 12.610 9.523 ( 1.382 0.000 -1.843) 2.304 9.755 ( -17.157 -0.000 0.625) 17.168 9.970 ( -6.222 -0.000 -1.690) 6.447 12.605 ( -1.513 -0.000 -4.328) 4.585 12.751 ( 2.672 0.000 4.319) 5.079 14.707 ( -0.725 -0.000 8.227) 8.259 14.760 ( -5.408 -0.000 -5.836) 7.956 15.072 ( 2.862 0.000 14.619) 14.897 15.156 ( -14.990 -0.000 -17.043) 22.698 15.966 ( 5.936 0.000 -6.485) 8.791 16.450 ( -0.678 -0.000 8.240) 8.267 17.390 ( -2.545 -0.000 6.385) 6.874 17.484 ( 2.536 0.000 0.745) 2.643 17.496 ( 9.565 0.000 -6.779) 11.724 18.013 ( 2.933 0.000 0.535) 2.981======================= Grid point 186 (82/172) =======================q-point: (-0.20 -0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.312 ( -8.359 -5.213 1.809) 10.016 1.594 ( 2.794 0.955 -0.810) 3.062 1.621 ( 3.737 -1.562 -0.430) 4.073 1.721 ( -9.426 -1.507 1.319) 9.636 1.837 ( -0.841 -1.165 -0.089) 1.439 2.142 ( -8.060 1.319 4.201) 9.184 2.352 ( 0.451 2.881 2.237) 3.675 2.373 ( -0.377 0.567 -1.354) 1.516 2.485 ( -2.798 4.611 2.818) 6.085 2.545 ( 0.126 1.427 -0.832) 1.656 2.613 ( -3.424 -3.528 1.411) 5.115 2.864 ( 9.581 -2.469 -2.198) 10.135 3.099 ( -1.978 4.086 0.473) 4.564 3.265 ( 1.671 -1.765 -1.372) 2.791 3.347 ( -4.951 1.301 0.258) 5.126 3.428 ( 6.101 -0.062 -5.471) 8.195 3.595 ( -3.267 0.594 -7.147) 7.881 3.634 ( 1.289 -0.437 3.360) 3.625 4.265 ( -0.785 -0.540 -9.670) 9.717 4.636 ( -8.176 -1.284 2.320) 8.596 4.811 ( 0.561 -0.481 -0.496) 0.890 5.233 ( -1.450 0.305 11.554) 11.648 5.362 ( 9.603 2.021 -1.833) 9.983 5.399 ( 7.569 -1.424 1.268) 7.806 5.628 ( -1.719 0.793 1.497) 2.413 5.838 ( 7.067 -1.805 -14.740) 16.446 6.126 ( -8.392 2.328 15.299) 17.604 6.614 ( 3.033 -0.472 13.697) 14.037 6.991 ( 3.293 4.091 -5.716) 7.763 7.187 ( 2.602 -5.820 8.671) 10.762 7.801 ( 4.056 -0.410 -13.759) 14.350 8.432 ( -6.686 2.877 -5.676) 9.230 8.910 ( 14.712 -1.929 -0.601) 14.850 9.259 ( -22.882 0.228 4.269) 23.278 9.773 ( 10.388 0.359 -3.008) 10.820 9.888 ( -2.545 0.108 -1.029) 2.747 12.577 ( -1.029 -0.264 -3.622) 3.774 12.803 ( 2.386 0.142 4.352) 4.965 14.672 ( -3.432 -0.054 -5.051) 6.107 14.718 ( -0.635 -0.867 5.522) 5.626 14.858 ( -11.364 3.744 -13.289) 17.882 15.175 ( 2.627 -3.890 12.315) 13.179 16.039 ( 3.965 0.162 -6.591) 7.694 16.423 ( -4.517 -0.663 7.960) 9.176 17.332 ( -3.618 3.055 5.083) 6.947 17.481 ( -3.284 -1.650 2.172) 4.270 17.642 ( 7.321 -1.831 -5.894) 9.576 18.124 ( 9.607 1.666 -0.158) 9.752======================= Grid point 187 (83/172) =======================q-point: (-0.10 -0.30 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.241 ( -9.278 -12.125 3.835) 15.741 1.492 ( -13.190 -1.801 -2.474) 13.540 1.684 ( 0.854 -1.251 4.330) 4.587 1.714 ( 4.998 -3.457 -1.591) 6.282 1.834 ( -0.297 -0.197 -0.368) 0.512 2.018 ( -5.168 -0.904 3.507) 6.311 2.293 ( -2.901 5.564 -1.220) 6.393 2.344 ( -1.511 1.356 -1.509) 2.529 2.412 ( -0.805 4.400 0.625) 4.516 2.554 ( 1.289 1.591 1.535) 2.559 2.632 ( 1.320 -2.980 -0.853) 3.369 3.007 ( 1.745 3.589 -1.505) 4.265 3.038 ( 3.073 -0.258 -0.733) 3.169 3.171 ( -9.583 1.687 2.377) 10.017 3.321 ( 0.076 -1.451 -3.901) 4.163 3.446 ( -4.862 1.165 3.101) 5.883 3.508 ( -4.852 0.819 -5.974) 7.740 3.688 ( 4.129 -1.566 -2.011) 4.852 4.189 ( -5.503 -1.764 -9.611) 11.215 4.534 ( -6.114 -2.293 4.458) 7.907 4.772 ( -2.800 -0.589 -5.661) 6.343 5.200 ( -4.787 -1.171 9.301) 10.525 5.423 ( -1.995 5.719 -1.827) 6.326 5.527 ( 8.554 3.438 6.743) 11.422 5.652 ( 2.153 0.912 2.626) 3.516 5.866 ( -4.443 1.474 -3.598) 5.904 6.026 ( 1.666 -1.597 -0.969) 2.503 6.661 ( -0.704 -0.553 15.586) 15.611 7.040 ( 7.420 3.770 -7.335) 11.093 7.312 ( 3.858 -5.585 10.980) 12.909 7.892 ( 6.171 -2.694 -12.879) 14.533 8.248 ( -9.252 4.223 -7.308) 12.524 8.874 ( -19.520 1.172 8.498) 21.322 9.186 ( 11.618 -4.149 -6.652) 14.016 9.878 ( 5.233 2.295 0.953) 5.793 9.973 ( 11.370 0.046 -1.859) 11.521 12.560 ( -0.548 -0.476 -2.786) 2.879 12.844 ( 1.650 0.440 4.091) 4.434 14.579 ( -8.710 4.657 -9.946) 14.017 14.621 ( -1.645 -0.288 -3.801) 4.152 14.819 ( 2.771 -7.414 1.647) 8.084 15.287 ( 4.061 -3.249 11.499) 12.621 16.072 ( 1.687 0.600 -6.085) 6.343 16.337 ( -8.321 -1.497 7.774) 11.485 17.230 ( -6.499 2.512 4.321) 8.198 17.420 ( -5.860 -2.266 1.790) 6.533 17.769 ( 7.734 -0.248 -6.249) 9.946 18.271 ( 10.051 5.452 1.028) 11.480======================= Grid point 196 (84/172) =======================q-point: (-0.20 -0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( -11.373 -0.000 3.935) 12.034 1.474 ( -16.351 -0.000 -0.340) 16.354 1.675 ( 2.619 0.000 0.988) 2.799 1.678 ( 5.603 0.000 -0.428) 5.619 1.832 ( 0.903 0.000 -0.439) 1.005 2.011 ( -8.211 -0.000 4.295) 9.266 2.348 ( -3.643 -0.000 0.404) 3.665 2.351 ( -1.870 -0.000 -3.347) 3.834 2.456 ( -1.443 -0.000 1.685) 2.218 2.578 ( 0.867 0.000 -0.421) 0.964 2.598 ( 3.617 0.000 0.441) 3.644 3.008 ( 8.240 0.000 -3.536) 8.967 3.077 ( -2.198 -0.000 0.889) 2.371 3.181 ( -10.174 -0.000 2.782) 10.548 3.302 ( 0.001 0.000 -3.749) 3.749 3.457 ( -4.874 -0.000 3.663) 6.097 3.518 ( -4.387 -0.000 -7.435) 8.632 3.673 ( 3.801 0.000 -2.497) 4.548 4.173 ( -5.837 -0.000 -10.795) 12.272 4.512 ( -6.237 -0.000 6.218) 8.807 4.767 ( -2.570 -0.000 -5.444) 6.020 5.187 ( -4.823 -0.000 10.342) 11.411 5.478 ( 3.046 0.000 -4.929) 5.794 5.560 ( 8.644 0.000 6.768) 10.978 5.667 ( 1.593 0.000 5.617) 5.839 5.874 ( -3.845 -0.000 -6.596) 7.635 6.011 ( -1.722 -0.000 1.660) 2.392 6.654 ( -0.243 -0.000 15.147) 15.149 7.093 ( 7.399 0.000 -11.650) 13.801 7.238 ( 4.275 0.000 14.018) 14.655 7.870 ( 5.804 0.000 -11.622) 12.991 8.289 ( -9.689 -0.000 -6.722) 11.792 8.886 ( -20.478 -0.000 7.913) 21.954 9.144 ( 12.737 0.000 -6.708) 14.395 9.902 ( 5.145 0.000 0.767) 5.202 9.972 ( 12.129 0.000 -1.922) 12.281 12.556 ( -0.529 -0.000 -2.826) 2.875 12.848 ( 1.800 0.000 3.927) 4.320 14.614 ( -2.873 -0.000 -6.685) 7.276 14.647 ( -9.156 -0.000 -9.779) 13.396 14.728 ( 0.414 0.000 4.525) 4.544 15.257 ( 5.158 0.000 11.733) 12.817 16.078 ( 1.911 0.000 -6.241) 6.527 16.322 ( -8.464 -0.000 7.769) 11.489 17.258 ( -7.651 -0.000 5.250) 9.279 17.392 ( -5.439 -0.000 2.274) 5.895 17.767 ( 8.790 0.000 -6.908) 11.180 18.323 ( 11.577 0.000 0.542) 11.590======================= Grid point 197 (85/172) =======================q-point: (-0.10 -0.20 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.961 ( -12.332 -9.742 6.381) 16.962 1.177 ( -18.848 -2.567 2.461) 19.180 1.697 ( -1.405 -0.558 3.041) 3.396 1.749 ( 0.705 0.255 -0.340) 0.824 1.880 ( 0.362 -0.527 -0.075) 0.644 1.911 ( 0.086 -3.282 0.000) 3.283 2.259 ( -4.161 2.568 -0.676) 4.936 2.301 ( -3.238 -0.302 -3.270) 4.612 2.416 ( -3.528 2.055 1.761) 4.446 2.611 ( 3.720 1.402 -1.013) 4.102 2.654 ( 2.012 -0.624 -0.387) 2.142 2.982 ( -7.693 4.847 0.462) 9.104 3.049 ( -4.317 -0.875 0.113) 4.407 3.111 ( 3.026 -0.314 -1.775) 3.522 3.273 ( -9.450 0.626 3.780) 10.197 3.291 ( -6.023 -0.969 0.417) 6.115 3.422 ( -4.257 1.104 -6.686) 8.003 3.747 ( 4.479 -1.124 -2.867) 5.435 4.053 ( -6.117 -1.337 -9.600) 11.461 4.448 ( -3.556 -1.197 6.959) 7.906 4.780 ( 6.557 0.223 -8.984) 11.124 5.125 ( -4.674 -0.367 10.125) 11.157 5.373 ( -10.731 8.053 1.535) 13.504 5.633 ( -5.103 -2.605 3.476) 6.702 5.711 ( 5.994 2.838 8.345) 10.659 5.779 ( -2.251 -1.423 -3.525) 4.418 6.076 ( 5.443 -1.096 -5.437) 7.771 6.670 ( -2.154 0.119 14.102) 14.266 7.191 ( 8.535 2.721 -11.476) 14.558 7.369 ( 4.984 -3.877 10.166) 11.967 7.924 ( 1.659 -0.215 -11.128) 11.254 8.080 ( -11.300 1.751 -9.859) 15.099 8.613 ( -12.796 0.000 12.623) 17.974 9.290 ( 4.933 -1.558 -8.407) 9.871 10.082 ( 15.646 1.557 1.774) 15.823 10.174 ( 11.440 0.244 -0.473) 11.453 12.549 ( 0.143 -0.250 -1.887) 1.909 12.876 ( 0.788 0.421 3.107) 3.233 14.451 ( -7.195 2.220 -10.548) 12.960 14.608 ( 0.623 0.477 -0.058) 0.786 14.785 ( 1.647 -9.015 2.111) 9.404 15.381 ( 6.080 -0.722 10.438) 12.101 16.083 ( 0.274 0.536 -5.466) 5.499 16.168 ( -11.342 -0.956 7.442) 13.599 17.099 ( -11.054 0.846 4.565) 11.989 17.312 ( -4.807 -1.205 0.926) 5.042 17.909 ( 9.247 0.662 -6.701) 11.439 18.496 ( 9.928 4.773 1.061) 11.066======================= Grid point 207 (86/172) =======================q-point: (-0.10 -0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.696 ( -13.699 -0.000 10.194) 17.075 0.846 ( -18.413 -0.000 9.068) 20.525 1.557 ( -20.296 -0.000 14.913) 25.186 1.739 ( -3.797 -0.000 -3.578) 5.217 1.759 ( -0.054 -0.000 -1.655) 1.656 2.057 ( 10.587 0.000 -3.845) 11.264 2.220 ( -0.979 -0.000 -0.372) 1.047 2.237 ( -2.755 -0.000 -2.697) 3.855 2.336 ( -5.101 -0.000 -0.766) 5.158 2.667 ( -0.424 -0.000 -0.169) 0.457 2.680 ( 0.825 0.000 -1.941) 2.109 2.818 ( -16.751 -0.000 4.764) 17.415 2.951 ( 0.486 0.000 -2.649) 2.693 3.115 ( -0.155 -0.000 2.208) 2.213 3.208 ( -4.645 -0.000 1.376) 4.844 3.215 ( 0.563 0.000 -3.132) 3.182 3.359 ( -2.716 -0.000 -4.443) 5.207 3.818 ( 5.099 0.000 -3.729) 6.317 3.938 ( -3.841 -0.000 -5.562) 6.759 4.401 ( -2.890 -0.000 4.276) 5.161 4.946 ( 12.454 0.000 -7.202) 14.387 5.071 ( -4.104 -0.000 11.128) 11.861 5.252 ( -7.288 -0.000 4.028) 8.327 5.442 ( -12.341 -0.000 4.697) 13.205 5.740 ( -0.640 -0.000 -4.665) 4.709 5.847 ( 5.126 0.000 4.662) 6.929 6.159 ( 5.579 0.000 -5.177) 7.611 6.602 ( -8.906 -0.000 11.226) 14.330 7.334 ( 8.715 0.000 -12.856) 15.531 7.441 ( 2.828 0.000 5.578) 6.254 7.864 ( -10.911 -0.000 -9.291) 14.330 7.902 ( -2.739 -0.000 -11.072) 11.406 8.484 ( -5.532 -0.000 14.025) 15.077 9.319 ( 1.749 0.000 -7.009) 7.224 10.357 ( 9.326 0.000 0.755) 9.356 10.410 ( 19.688 0.000 1.540) 19.748 12.555 ( 0.944 0.000 -0.807) 1.242 12.887 ( -0.383 -0.000 1.688) 1.731 14.338 ( -4.538 -0.000 -7.176) 8.491 14.669 ( 5.961 0.000 8.415) 10.313 14.742 ( -0.602 -0.000 1.093) 1.248 15.509 ( 6.420 0.000 9.529) 11.489 15.971 ( -12.009 -0.000 7.051) 13.926 16.074 ( -0.349 -0.000 -4.768) 4.780 16.900 ( -12.662 -0.000 3.190) 13.058 17.235 ( -3.588 -0.000 -0.701) 3.655 18.060 ( 8.889 0.000 -5.704) 10.562 18.675 ( 6.835 0.000 -2.867) 7.412======================= Grid point 208 (87/172) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.828 ( -1.078 -0.000 18.550) 18.581 0.934 ( -1.593 -0.000 18.844) 18.911 1.513 ( 0.808 0.000 -12.161) 12.188 1.577 ( 2.298 0.000 -11.381) 11.610 1.660 ( -3.329 -0.000 29.363) 29.551 2.204 ( -1.405 -0.000 1.275) 1.897 2.239 ( -0.891 -0.000 -0.718) 1.145 2.281 ( -2.217 -0.000 -1.891) 2.914 2.327 ( 3.095 0.000 1.497) 3.439 2.434 ( 10.259 0.000 4.665) 11.270 2.552 ( 0.379 0.000 -2.425) 2.455 2.824 ( 0.178 0.000 -2.553) 2.559 2.914 ( -3.007 -0.000 -2.444) 3.875 2.979 ( -0.468 -0.000 -6.907) 6.922 3.175 ( -2.080 -0.000 0.874) 2.256 3.191 ( 1.653 0.000 -0.337) 1.687 3.456 ( 1.582 0.000 5.418) 5.644 3.728 ( 2.220 0.000 -7.185) 7.520 4.298 ( 13.010 0.000 8.731) 15.668 4.326 ( -8.733 -0.000 2.846) 9.186 4.990 ( -12.646 -0.000 1.981) 12.800 5.040 ( -2.623 -0.000 -3.208) 4.144 5.195 ( -3.686 -0.000 3.827) 5.313 5.254 ( 11.384 0.000 -8.485) 14.198 5.787 ( 7.158 0.000 6.196) 9.468 5.891 ( -6.056 -0.000 2.008) 6.380 6.304 ( 8.174 0.000 -4.359) 9.264 6.559 ( -4.241 -0.000 8.591) 9.581 6.747 ( -7.707 -0.000 -17.969) 19.552 7.088 ( -0.847 -0.000 -10.381) 10.416 7.793 ( -5.208 -0.000 4.798) 7.081 7.933 ( 9.983 0.000 -1.438) 10.086 8.701 ( -3.715 -0.000 14.196) 14.674 9.210 ( 1.906 0.000 -8.604) 8.812 10.583 ( -0.490 -0.000 2.651) 2.696 10.700 ( -2.204 -0.000 -2.458) 3.302 12.655 ( 2.740 0.000 2.985) 4.051 12.793 ( -3.489 -0.000 -2.746) 4.439 14.444 ( 6.521 0.000 2.868) 7.124 14.621 ( -3.907 -0.000 -4.263) 5.782 15.752 ( -12.756 -0.000 6.999) 14.550 15.785 ( -1.912 -0.000 4.789) 5.156 16.088 ( 8.710 0.000 -0.980) 8.765 16.106 ( 39.757 0.000 -1.557) 39.788 16.568 ( -2.757 -0.000 -0.113) 2.759 16.825 ( -11.605 -0.000 -10.965) 15.965 18.011 ( -26.414 -0.000 7.298) 27.404 18.232 ( 7.315 0.000 -2.812) 7.837======================= Grid point 209 (88/172) =======================q-point: ( 0.10 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.923 ( 4.799 -5.771 16.513) 18.139 1.057 ( 8.536 -2.763 15.888) 18.246 1.539 ( 3.535 -3.284 -11.266) 12.255 1.608 ( 0.879 -2.514 -9.674) 10.034 1.768 ( 7.140 -3.844 22.412) 23.834 2.155 ( -4.238 2.003 -1.126) 4.821 2.212 ( 2.898 -1.680 -0.727) 3.428 2.285 ( 1.698 0.949 -0.555) 2.022 2.400 ( 5.325 2.573 -0.143) 5.915 2.452 ( -1.047 -0.573 5.811) 5.933 2.767 ( 1.896 3.706 -4.218) 5.927 2.819 ( 4.436 -0.650 -3.810) 5.883 2.846 ( 7.796 6.566 -1.124) 10.255 2.978 ( 1.582 -2.915 -3.251) 4.645 3.109 ( -5.485 0.673 2.658) 6.132 3.246 ( 3.790 -1.458 -1.345) 4.277 3.476 ( -0.572 -2.262 2.701) 3.569 3.735 ( -1.134 -1.440 -8.926) 9.112 4.109 ( -13.423 1.932 0.521) 13.571 4.525 ( 9.595 -1.199 7.717) 12.371 4.864 ( -0.648 3.921 2.508) 4.700 4.982 ( -2.852 -1.921 1.318) 3.682 5.243 ( 8.115 2.122 1.423) 8.508 5.343 ( -0.895 -0.844 -4.358) 4.528 5.787 ( -3.948 2.278 -2.381) 5.142 5.944 ( 7.665 -1.770 7.501) 10.870 6.395 ( 3.794 2.742 -2.448) 5.282 6.527 ( -1.774 0.028 7.549) 7.755 6.654 ( 1.042 -1.372 -13.551) 13.660 7.070 ( -0.543 1.194 -7.839) 7.948 7.732 ( -0.781 -0.352 -0.613) 1.053 8.060 ( 5.884 2.795 -3.135) 7.230 8.676 ( -3.084 -2.221 14.647) 15.132 9.231 ( 1.949 -1.135 -8.156) 8.462 10.517 ( -7.189 0.722 2.141) 7.535 10.582 ( -10.394 -0.432 0.295) 10.408 12.705 ( 2.379 0.272 3.783) 4.477 12.721 ( -3.501 0.924 -3.175) 4.816 14.549 ( -0.562 -1.257 -2.456) 2.815 14.580 ( 3.136 -3.268 -0.516) 4.558 15.475 ( -17.087 2.093 1.365) 17.268 15.756 ( -1.430 -0.852 4.602) 4.894 16.194 ( 5.339 9.695 -2.212) 11.286 16.419 ( -8.349 -3.913 -5.427) 10.700 16.624 ( 4.266 -2.502 0.257) 4.952 16.930 ( 31.992 0.206 -11.341) 33.944 17.630 ( -18.376 -0.836 16.099) 24.445 18.316 ( 2.207 -0.129 0.485) 2.264======================= Grid point 210 (89/172) =======================q-point: ( 0.20 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( 7.128 -8.942 13.047) 17.349 1.254 ( 7.872 -2.038 9.989) 12.881 1.589 ( -0.127 -1.482 -5.721) 5.912 1.673 ( 4.967 -8.553 -7.503) 12.414 1.997 ( 8.238 -3.350 8.499) 12.301 2.077 ( -2.579 -1.712 -3.432) 4.622 2.207 ( -2.685 0.849 0.570) 2.873 2.407 ( 7.595 2.334 -1.148) 8.028 2.456 ( 1.736 3.264 -1.702) 4.070 2.489 ( 8.781 -0.431 4.749) 9.992 2.745 ( 0.505 5.682 -0.462) 5.723 2.767 ( 2.744 0.030 -2.734) 3.874 2.874 ( -1.477 1.943 -0.398) 2.473 2.989 ( -8.867 -0.279 6.080) 10.754 3.166 ( 9.348 3.320 0.918) 9.963 3.327 ( 0.597 -5.672 1.457) 5.887 3.554 ( 11.439 -2.359 -5.345) 12.844 3.670 ( -5.081 -0.797 -10.149) 11.378 3.899 ( -8.097 1.424 -1.213) 8.311 4.694 ( 9.891 0.723 2.501) 10.228 4.793 ( -3.076 4.169 -2.151) 5.610 5.085 ( 7.307 -4.972 8.594) 12.328 5.218 ( -9.220 0.479 0.977) 9.284 5.409 ( 10.032 4.041 3.278) 11.301 5.683 ( -4.064 3.440 -7.688) 9.352 6.102 ( 7.565 -0.441 5.049) 9.106 6.396 ( -0.567 2.682 1.942) 3.359 6.515 ( -1.445 0.066 9.441) 9.552 6.731 ( 8.903 1.628 -10.739) 14.044 7.007 ( -2.671 0.848 -2.549) 3.789 7.793 ( 5.719 -4.190 -8.129) 10.786 8.052 ( -3.015 3.569 -2.494) 5.296 8.706 ( 1.215 -2.606 12.433) 12.761 9.272 ( 3.519 -0.927 -7.789) 8.597 10.335 ( -13.209 1.145 1.359) 13.328 10.376 ( -13.699 -1.124 0.645) 13.760 12.651 ( -2.643 1.076 -3.309) 4.370 12.750 ( 2.391 0.354 4.277) 4.913 14.515 ( -4.033 -5.359 -7.214) 9.850 14.696 ( 5.467 -1.310 2.500) 6.152 15.178 ( -14.616 1.394 -1.671) 14.777 15.755 ( -1.362 0.196 3.261) 3.539 16.003 ( -9.798 6.921 1.417) 12.079 16.457 ( 4.899 -4.356 0.897) 6.616 16.770 ( 9.835 -0.659 2.710) 10.222 17.364 ( 19.494 4.462 -13.635) 24.204 17.454 ( -5.983 -3.207 10.814) 12.768 18.307 ( -3.085 0.906 2.588) 4.128======================= Grid point 211 (90/172) =======================q-point: ( 0.30 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.324 ( 3.648 -5.997 8.047) 10.678 1.430 ( 8.141 -5.451 5.062) 11.028 1.604 ( 1.814 -1.257 -1.731) 2.805 1.833 ( 4.015 -9.924 -2.971) 11.111 2.015 ( -3.488 4.916 1.128) 6.132 2.060 ( -0.851 -2.798 -5.666) 6.376 2.226 ( 1.289 -0.256 0.069) 1.316 2.389 ( -1.253 3.216 -0.030) 3.452 2.492 ( 2.093 2.344 -0.786) 3.239 2.603 ( -0.483 1.332 1.473) 2.044 2.772 ( 6.998 1.982 -2.039) 7.553 2.812 ( -4.831 -1.143 2.580) 5.594 2.874 ( 2.183 -3.358 3.164) 5.105 2.933 ( 8.546 1.746 4.087) 9.633 3.216 ( 2.544 3.181 -1.848) 4.473 3.341 ( -4.018 -6.229 1.966) 7.669 3.558 ( -4.827 0.686 -10.049) 11.169 3.783 ( -1.889 1.069 1.647) 2.725 3.886 ( 19.713 -0.243 -7.120) 20.961 4.714 ( -1.589 1.857 -4.097) 4.770 4.869 ( 11.062 2.526 -1.768) 11.483 5.045 ( -9.402 -0.112 3.975) 10.208 5.249 ( 2.592 -3.963 11.123) 12.088 5.524 ( 7.036 5.634 3.405) 9.636 5.590 ( 0.748 3.686 -9.722) 10.424 6.138 ( -6.713 3.804 -1.017) 7.783 6.393 ( 4.364 -2.139 7.527) 8.960 6.514 ( -3.464 -2.459 15.993) 16.548 6.842 ( 8.713 5.829 -3.549) 11.067 7.032 ( 7.858 -0.661 -9.257) 12.160 7.902 ( -9.849 2.440 0.741) 10.173 7.935 ( 5.833 -6.969 -10.078) 13.570 8.801 ( 5.292 -0.674 7.881) 9.517 9.343 ( 5.937 -0.063 -7.162) 9.302 10.059 ( -18.390 -0.463 2.383) 18.549 10.149 ( -12.482 0.452 -1.371) 12.565 12.599 ( -1.718 0.887 -3.087) 3.643 12.798 ( 2.530 0.280 4.486) 5.158 14.479 ( -4.588 -6.409 -8.362) 11.491 14.771 ( 1.697 1.782 -0.768) 2.578 14.968 ( -7.839 -0.758 0.640) 7.902 15.664 ( -7.839 0.952 5.838) 9.820 15.901 ( 1.871 3.508 -0.025) 3.976 16.577 ( 4.465 -2.017 3.616) 6.089 16.965 ( 10.661 -1.452 1.615) 10.880 17.367 ( -3.727 -2.227 5.992) 7.400 17.617 ( 12.441 3.956 -10.443) 16.717 18.212 ( -6.750 1.858 3.300) 7.739======================= Grid point 212 (91/172) =======================q-point: ( 0.40 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.412 ( 1.578 -3.091 1.380) 3.734 1.601 ( 3.230 -4.265 2.434) 5.878 1.687 ( 6.449 -2.730 2.988) 7.614 1.899 ( -3.251 5.741 2.242) 6.968 1.962 ( 2.000 -7.351 0.102) 7.619 2.067 ( -1.936 -3.246 -4.558) 5.921 2.195 ( -0.401 4.829 -2.808) 5.601 2.340 ( -3.419 -0.684 -0.711) 3.558 2.452 ( -5.429 1.306 1.273) 5.727 2.548 ( -0.621 2.958 1.626) 3.432 2.709 ( -3.633 -1.116 1.503) 4.087 2.923 ( 6.574 -1.498 1.618) 6.934 2.974 ( 3.466 -2.711 2.622) 5.122 3.077 ( 6.280 0.670 -1.616) 6.519 3.215 ( 0.638 1.406 -3.802) 4.103 3.353 ( 0.479 -2.257 -1.065) 2.542 3.456 ( -3.864 0.108 -8.905) 9.708 3.765 ( 0.644 0.248 4.809) 4.859 4.157 ( 10.706 2.365 -6.303) 12.646 4.711 ( 2.941 0.150 -2.001) 3.560 4.885 ( -4.171 0.612 -0.098) 4.217 5.067 ( 9.555 0.792 0.365) 9.595 5.267 ( -4.261 -2.356 6.865) 8.416 5.556 ( 3.044 5.390 -0.454) 6.207 5.639 ( 7.299 2.180 -3.765) 8.497 5.890 ( -14.689 2.514 -0.505) 14.911 6.466 ( -10.923 -5.316 20.750) 24.044 6.564 ( 9.665 -1.429 3.861) 10.505 6.921 ( 4.695 2.669 6.064) 8.120 7.213 ( 15.818 2.722 -19.833) 25.514 7.717 ( -8.749 1.429 5.071) 10.213 8.052 ( 1.889 -6.961 -9.200) 11.690 8.917 ( 7.283 1.727 3.131) 8.113 9.446 ( 6.396 0.208 -4.711) 7.946 9.743 ( -17.850 -0.813 2.508) 18.043 9.951 ( -9.084 0.414 -2.124) 9.339 12.563 ( -1.042 0.665 -2.553) 2.837 12.847 ( 2.283 0.188 4.251) 4.829 14.437 ( -4.912 -5.959 -8.505) 11.488 14.703 ( -4.239 2.443 -4.068) 6.362 14.937 ( 1.173 0.555 3.865) 4.077 15.566 ( -3.667 0.597 7.344) 8.230 15.921 ( 3.043 2.722 -2.324) 4.698 16.649 ( 1.430 -0.233 5.647) 5.830 17.146 ( 6.992 -2.865 0.573) 7.577 17.359 ( -0.480 -2.314 2.083) 3.150 17.736 ( 7.293 2.795 -6.704) 10.293 18.074 ( -7.122 1.895 3.015) 7.962======================= Grid point 213 (92/172) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.450 ( 0.096 -2.151 -1.781) 2.794 1.637 ( -0.025 2.198 2.211) 3.118 1.803 ( 2.118 3.804 3.574) 5.633 1.844 ( 1.615 -0.510 2.631) 3.129 1.987 ( -5.500 4.191 0.518) 6.934 2.036 ( 1.597 -2.051 -0.986) 2.780 2.167 ( -1.472 -3.237 -3.879) 5.262 2.299 ( -2.112 -2.044 0.308) 2.956 2.338 ( -6.748 -2.508 4.080) 8.275 2.539 ( 1.129 0.556 0.333) 1.302 2.708 ( 1.521 1.389 0.168) 2.066 2.997 ( -0.164 -1.907 3.079) 3.625 3.017 ( -0.184 3.000 2.155) 3.698 3.149 ( 2.635 -4.865 -3.810) 6.717 3.225 ( 1.509 -0.009 -4.904) 5.131 3.319 ( -1.847 0.490 -6.205) 6.493 3.438 ( 1.546 1.103 -4.694) 5.063 3.799 ( 0.910 0.051 7.221) 7.278 4.179 ( -1.339 3.832 -7.660) 8.669 4.721 ( -3.010 -0.899 3.051) 4.379 4.841 ( -3.436 1.489 -0.313) 3.757 5.221 ( -3.594 -4.515 2.363) 6.236 5.248 ( 10.241 -0.648 -3.474) 10.833 5.544 ( 0.488 3.676 1.751) 4.101 5.680 ( -3.649 0.170 -0.849) 3.750 5.741 ( 3.684 0.504 -1.412) 3.978 6.312 ( -16.081 -5.878 19.727) 26.121 6.729 ( 7.668 -0.482 -1.391) 7.808 6.972 ( 1.148 0.944 10.190) 10.298 7.418 ( 15.271 3.379 -22.983) 27.800 7.627 ( -1.724 1.756 9.015) 9.345 8.068 ( -4.506 -4.808 -8.302) 10.600 9.028 ( 7.929 3.446 -1.837) 8.839 9.349 ( -17.347 -1.033 6.668) 18.613 9.680 ( 9.900 0.042 -4.732) 10.973 9.842 ( -2.649 -0.788 -1.059) 2.960 12.540 ( -0.541 0.491 -1.836) 1.976 12.886 ( 1.538 0.079 3.434) 3.763 14.385 ( -4.582 -4.253 -7.358) 9.656 14.620 ( -2.402 1.168 -2.265) 3.502 14.966 ( 3.378 3.575 2.621) 5.573 15.545 ( 0.186 1.765 7.420) 7.629 15.940 ( 1.801 1.103 -3.570) 4.148 16.644 ( -2.768 1.648 6.919) 7.632 17.241 ( 0.338 -3.996 0.997) 4.132 17.390 ( 0.953 -2.399 -2.016) 3.275 17.771 ( -0.292 3.835 -2.497) 4.586 18.013 ( 1.997 -2.222 0.839) 3.103======================= Grid point 214 (93/172) =======================q-point: (-0.40 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( -3.944 -0.217 -1.882) 4.375 1.569 ( -2.460 10.142 3.845) 11.122 1.784 ( 1.609 5.331 0.539) 5.595 1.833 ( -5.862 1.574 1.281) 6.204 1.864 ( -0.885 4.359 3.500) 5.660 2.077 ( 2.396 0.278 -1.303) 2.741 2.176 ( -2.134 -6.093 1.565) 6.643 2.299 ( -2.785 -5.415 1.570) 6.288 2.312 ( -0.149 -3.003 0.307) 3.022 2.582 ( 3.552 -0.505 0.161) 3.592 2.672 ( -3.714 3.507 2.147) 5.541 2.969 ( 0.734 2.565 -1.538) 3.079 3.012 ( -1.801 -2.095 2.047) 3.439 3.178 ( -5.846 -4.641 1.976) 7.721 3.224 ( -0.502 -1.982 -4.868) 5.280 3.327 ( 1.715 0.356 -6.642) 6.869 3.446 ( 4.321 2.404 -5.021) 7.047 3.780 ( -4.585 1.804 6.596) 8.233 4.068 ( -4.774 4.129 -7.473) 9.782 4.665 ( -6.361 0.391 4.265) 7.668 4.698 ( -7.052 -0.417 0.069) 7.064 5.219 ( -3.476 -6.630 -1.695) 7.675 5.346 ( 0.850 -0.215 -1.821) 2.021 5.591 ( 5.063 -0.673 1.516) 5.328 5.694 ( 1.970 -2.695 4.119) 5.302 5.766 ( -2.020 -2.334 -0.081) 3.088 6.164 ( -7.164 -2.662 12.937) 15.026 6.827 ( 5.143 0.475 -7.545) 9.144 6.985 ( -1.038 0.690 11.345) 11.413 7.567 ( 9.844 7.560 -21.293) 24.646 7.633 ( 1.453 -2.089 9.187) 9.533 7.955 ( -10.475 -3.420 -8.385) 13.847 9.072 ( -11.195 -0.166 8.739) 14.203 9.127 ( 3.116 3.684 -5.021) 6.963 9.857 ( 8.404 -1.561 0.611) 8.569 9.916 ( 11.806 -0.741 -2.466) 12.084 12.529 ( 0.027 0.341 -1.029) 1.084 12.909 ( 0.393 -0.098 2.047) 2.086 14.331 ( -3.315 -1.981 -4.959) 6.285 14.595 ( 0.403 0.033 0.379) 0.554 14.997 ( 4.973 6.643 1.074) 8.367 15.558 ( 2.069 2.700 7.070) 7.846 15.952 ( 0.731 -0.763 -4.000) 4.137 16.549 ( -7.467 2.861 7.795) 11.167 17.242 ( -4.621 -4.263 1.641) 6.498 17.393 ( -3.826 -2.402 -2.933) 5.386 17.710 ( 1.073 4.108 -2.963) 5.178 18.154 ( 7.819 -5.980 -0.849) 9.880======================= Grid point 215 (94/172) =======================q-point: (-0.30 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.300 ( -8.950 3.925 3.166) 10.273 1.387 ( -5.792 14.891 8.201) 17.959 1.720 ( -4.564 3.073 -3.445) 6.492 1.761 ( -1.012 1.226 -0.256) 1.610 1.880 ( 6.325 3.058 0.873) 7.080 2.101 ( 0.896 3.426 2.908) 4.583 2.171 ( -5.029 -5.415 3.913) 8.362 2.279 ( -2.198 1.537 -0.881) 2.823 2.353 ( -1.553 -7.077 0.574) 7.268 2.597 ( -1.145 -0.183 1.561) 1.944 2.656 ( 3.694 0.125 0.674) 3.757 2.939 ( -8.209 -2.974 -0.660) 8.756 2.990 ( -0.707 0.274 -1.199) 1.419 3.090 ( -3.067 0.083 -0.145) 3.072 3.246 ( 1.012 -3.290 -1.561) 3.780 3.295 ( -4.095 -0.983 -1.947) 4.640 3.436 ( -9.715 1.326 5.398) 11.192 3.698 ( 3.176 4.095 -5.036) 7.226 3.940 ( -3.452 3.654 -6.062) 7.875 4.584 ( -1.572 -1.425 1.381) 2.532 4.636 ( -2.700 -0.350 2.189) 3.493 5.193 ( -6.322 -8.150 0.498) 10.327 5.345 ( -2.256 -1.995 4.894) 5.746 5.614 ( -3.005 -2.352 -0.426) 3.840 5.732 ( -2.679 -0.449 -5.257) 5.917 5.800 ( 3.537 -5.573 7.319) 9.856 6.145 ( 0.002 1.883 7.693) 7.920 6.885 ( 2.442 1.007 -8.513) 8.914 6.974 ( 0.183 0.533 5.750) 5.777 7.515 ( -0.756 8.857 -15.127) 17.545 7.727 ( -2.243 -4.671 2.929) 5.952 7.785 ( -6.082 -4.062 -6.907) 10.059 8.900 ( -8.912 0.417 12.731) 15.546 9.161 ( 4.425 4.128 -8.681) 10.582 10.073 ( 14.758 -2.064 1.291) 14.957 10.150 ( 13.530 -0.691 -0.897) 13.578 12.533 ( 0.872 0.171 -0.155) 0.902 12.908 ( -0.966 -0.363 0.346) 1.089 14.293 ( -1.167 0.047 -1.825) 2.167 14.635 ( 3.011 -1.405 3.392) 4.748 15.014 ( 5.944 10.795 -0.061) 12.323 15.605 ( 3.986 0.913 7.647) 8.671 15.963 ( 0.284 -1.334 -4.172) 4.389 16.375 ( -11.106 2.904 8.412) 14.231 17.161 ( -10.005 -3.696 3.716) 11.295 17.287 ( -7.702 -0.442 -4.162) 8.766 17.760 ( 7.732 1.151 -6.132) 9.936 18.341 ( 6.515 -7.159 -2.539) 10.007======================= Grid point 216 (95/172) =======================q-point: (-0.20 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( -9.324 9.158 10.676) 16.875 1.179 ( -7.270 9.610 13.169) 17.850 1.610 ( -3.628 2.366 -7.380) 8.557 1.713 ( -2.572 2.817 -3.923) 5.472 1.984 ( -6.757 4.129 11.667) 14.100 2.009 ( 6.754 1.929 0.477) 7.040 2.188 ( 1.129 -2.217 -0.744) 2.597 2.222 ( -1.455 0.773 0.482) 1.717 2.328 ( -7.825 -2.716 1.793) 8.475 2.622 ( -0.478 -2.727 -0.727) 2.862 2.666 ( -0.804 -1.264 0.420) 1.556 2.848 ( -9.041 -2.381 2.472) 9.671 2.914 ( -3.616 -1.632 -0.667) 4.023 3.091 ( -0.192 -1.611 -2.454) 2.942 3.184 ( -6.339 0.028 0.473) 6.356 3.258 ( -5.028 1.343 0.969) 5.294 3.307 ( 2.657 -1.794 2.976) 4.375 3.726 ( 2.251 3.742 -6.657) 7.962 3.919 ( 6.150 2.393 -0.891) 6.659 4.516 ( -6.258 1.113 5.535) 8.429 4.728 ( 9.120 -5.699 -5.765) 12.202 5.166 ( -5.782 -7.852 2.341) 10.028 5.318 ( -5.007 -2.580 10.292) 11.732 5.552 ( -7.081 0.988 -2.549) 7.590 5.660 ( -1.575 1.113 -4.495) 4.891 5.922 ( 3.496 -4.239 3.544) 6.538 6.130 ( 0.760 3.526 3.431) 4.979 6.802 ( -8.206 1.104 4.626) 9.484 7.019 ( 2.048 0.343 -13.857) 14.012 7.356 ( -6.063 5.083 -16.187) 18.017 7.649 ( -2.689 -4.953 -2.717) 6.257 7.833 ( 0.249 -3.963 5.143) 6.497 8.800 ( -4.875 1.524 13.474) 14.409 9.178 ( 3.605 3.387 -8.943) 10.220 10.370 ( 11.016 -0.507 0.800) 11.057 10.375 ( 16.583 -2.298 -0.512) 16.749 12.557 ( 1.927 -0.026 0.825) 2.096 12.885 ( -2.125 -0.725 -1.093) 2.497 14.291 ( 1.796 1.231 1.197) 2.485 14.715 ( 1.976 -1.968 3.157) 4.212 15.049 ( 12.747 11.909 3.521) 17.796 15.710 ( 5.508 -1.715 9.341) 10.979 15.969 ( 0.398 -0.554 -4.450) 4.502 16.163 ( -12.021 2.443 8.862) 15.133 16.969 ( -15.496 -2.007 4.619) 16.294 17.156 ( -6.390 0.108 -7.848) 10.121 17.904 ( 9.995 -0.787 -6.844) 12.140 18.462 ( 0.088 -6.296 -5.442) 8.322======================= Grid point 217 (96/172) =======================q-point: (-0.10 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( -6.522 7.059 16.286) 18.910 1.016 ( -7.596 4.530 17.483) 19.592 1.538 ( -0.960 0.815 -10.557) 10.632 1.619 ( -2.459 3.644 -8.693) 9.742 1.777 ( -13.183 3.297 25.153) 28.589 2.152 ( 6.313 -2.432 -1.757) 6.989 2.198 ( 1.955 0.670 -1.533) 2.573 2.230 ( 1.991 1.995 0.299) 2.834 2.285 ( 3.907 -1.044 0.894) 4.142 2.518 ( -17.085 0.106 4.045) 17.558 2.615 ( -3.727 -2.575 0.125) 4.531 2.776 ( 2.823 -2.358 -0.165) 3.682 2.935 ( -1.777 -3.852 -0.978) 4.353 3.041 ( -2.742 1.479 -6.918) 7.587 3.173 ( 1.475 0.001 -1.522) 2.119 3.195 ( -1.902 -0.271 0.968) 2.152 3.390 ( 4.441 -0.005 6.037) 7.494 3.712 ( 1.715 2.040 -6.284) 6.825 4.069 ( 11.418 0.812 5.177) 12.563 4.420 ( -4.501 1.010 4.863) 6.703 4.963 ( 8.919 -10.958 -7.979) 16.227 5.130 ( -4.335 -3.631 1.636) 5.887 5.239 ( -8.464 0.242 3.785) 9.275 5.336 ( -9.770 7.376 0.117) 12.242 5.680 ( 4.192 0.321 0.913) 4.302 5.966 ( -2.531 -0.637 4.205) 4.949 6.173 ( 6.904 0.655 -3.420) 7.733 6.655 ( -8.294 0.541 7.697) 11.328 6.927 ( -7.580 -0.129 -18.776) 20.249 7.182 ( -6.355 1.651 -13.715) 15.206 7.749 ( 8.189 -3.571 -0.137) 8.935 7.850 ( -2.833 -2.105 5.795) 6.785 8.743 ( -3.451 1.550 13.676) 14.190 9.194 ( 2.956 1.855 -8.872) 9.533 10.527 ( 6.082 -0.308 2.101) 6.442 10.633 ( 9.922 -1.633 -3.174) 10.545 12.601 ( 2.724 -0.148 1.925) 3.338 12.847 ( -2.780 -0.875 -1.999) 3.534 14.342 ( 4.934 1.084 2.752) 5.752 14.701 ( -2.932 1.719 -2.054) 3.971 15.368 ( 31.154 3.034 8.877) 32.536 15.823 ( 0.114 -3.743 11.198) 11.808 15.969 ( -7.762 2.389 8.340) 11.641 15.983 ( 2.548 1.373 -3.598) 4.617 16.720 ( -13.816 -0.394 1.353) 13.888 17.019 ( -7.859 0.251 -10.690) 13.270 18.075 ( 9.305 -2.062 -5.363) 10.936 18.383 ( -13.725 -1.997 -5.612) 14.962======================= Grid point 219 (97/172) =======================q-point: ( 0.10 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( 8.275 0.000 14.824) 16.977 1.235 ( 8.212 0.000 10.651) 13.450 1.578 ( -0.356 -0.000 -6.860) 6.869 1.589 ( 6.083 0.000 -7.610) 9.743 1.959 ( 11.347 0.000 10.853) 15.701 2.059 ( -4.053 -0.000 -3.996) 5.691 2.219 ( -3.864 -0.000 -0.390) 3.883 2.430 ( 13.278 0.000 -5.872) 14.518 2.479 ( 3.064 0.000 9.061) 9.565 2.499 ( 3.351 0.000 0.474) 3.384 2.773 ( 1.920 0.000 -4.978) 5.335 2.794 ( -1.872 -0.000 -3.392) 3.874 2.903 ( -1.745 -0.000 2.215) 2.820 2.986 ( -9.787 -0.000 5.844) 11.399 3.181 ( 9.871 0.000 3.407) 10.442 3.279 ( 0.498 0.000 -0.993) 1.111 3.530 ( 12.945 0.000 -5.611) 14.109 3.663 ( -3.829 -0.000 -10.103) 10.804 3.911 ( -9.124 -0.000 -1.549) 9.255 4.699 ( 10.500 0.000 3.842) 11.181 4.854 ( -6.185 -0.000 -2.698) 6.748 5.014 ( 9.512 0.000 8.736) 12.915 5.223 ( -10.022 -0.000 1.422) 10.123 5.448 ( 10.818 0.000 3.697) 11.433 5.718 ( -4.096 -0.000 -8.759) 9.669 6.095 ( 8.540 0.000 7.391) 11.294 6.425 ( -2.808 -0.000 1.686) 3.275 6.514 ( -2.386 -0.000 11.057) 11.312 6.743 ( 13.119 0.000 -17.045) 21.509 7.019 ( -4.286 -0.000 -1.433) 4.519 7.754 ( 4.323 0.000 -6.653) 7.934 8.083 ( -4.513 -0.000 -1.652) 4.806 8.683 ( 2.614 0.000 11.625) 11.916 9.263 ( 4.228 0.000 -8.229) 9.252 10.351 ( -15.827 -0.000 2.110) 15.967 10.361 ( -11.226 -0.000 0.511) 11.237 12.663 ( -2.846 -0.000 -3.613) 4.599 12.753 ( 2.286 0.000 4.404) 4.962 14.463 ( -3.863 -0.000 -6.820) 7.838 14.685 ( 6.703 0.000 2.632) 7.201 15.190 ( -15.636 -0.000 -2.496) 15.834 15.756 ( -0.765 -0.000 3.131) 3.223 16.075 ( -15.632 -0.000 1.786) 15.733 16.406 ( 8.789 0.000 0.199) 8.792 16.765 ( 9.866 0.000 4.305) 10.764 17.405 ( 11.052 0.000 -7.038) 13.102 17.426 ( 3.228 0.000 3.334) 4.640 18.314 ( -2.887 -0.000 3.164) 4.283======================= Grid point 220 (98/172) =======================q-point: ( 0.20 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( 7.545 -3.133 11.252) 13.905 1.367 ( 5.179 -1.831 5.116) 7.506 1.588 ( 2.831 -0.394 -3.983) 4.902 1.700 ( 4.956 -4.094 -2.222) 6.802 2.006 ( -0.621 -1.401 -7.375) 7.533 2.103 ( -3.610 3.368 1.372) 5.124 2.174 ( 4.428 -3.439 1.548) 5.817 2.486 ( -1.485 4.553 0.064) 4.790 2.547 ( 4.060 3.146 2.729) 5.817 2.602 ( 3.135 -1.310 -0.959) 3.530 2.778 ( -3.951 -1.326 4.139) 5.874 2.796 ( 1.449 -0.716 -4.071) 4.380 2.833 ( -2.698 -0.384 2.172) 3.485 2.979 ( 10.032 2.335 2.416) 10.580 3.238 ( -0.534 -2.996 2.228) 3.772 3.262 ( -1.298 0.417 -1.442) 1.985 3.574 ( -3.968 0.784 -9.304) 10.146 3.794 ( -2.719 0.216 0.725) 2.822 3.879 ( 22.165 -0.317 -8.363) 23.692 4.751 ( -3.175 1.715 -3.974) 5.368 4.895 ( 10.422 0.296 0.205) 10.428 5.039 ( -10.331 -0.287 5.857) 11.879 5.187 ( 5.082 -2.147 9.356) 10.862 5.599 ( 6.600 2.289 4.095) 8.097 5.641 ( -0.424 1.652 -10.737) 10.872 6.191 ( -5.685 1.727 -0.301) 5.949 6.363 ( 2.819 -0.965 7.264) 7.852 6.477 ( -5.809 -1.319 16.401) 17.449 6.942 ( 5.637 4.641 -2.092) 7.595 7.011 ( 12.158 -1.897 -13.300) 18.120 7.839 ( 5.109 -3.057 -8.364) 10.267 7.927 ( -11.785 0.558 2.570) 12.075 8.794 ( 7.467 -0.140 5.856) 9.491 9.343 ( 6.662 0.050 -7.764) 10.231 10.053 ( -19.055 -0.189 3.262) 19.333 10.154 ( -12.084 0.140 -1.289) 12.153 12.612 ( -2.000 0.423 -3.507) 4.059 12.802 ( 2.399 0.113 4.631) 5.217 14.398 ( -3.522 -2.400 -6.862) 8.078 14.802 ( 6.242 1.303 1.129) 6.476 14.951 ( -10.893 -0.802 -3.088) 11.351 15.671 ( -8.976 0.077 5.800) 10.687 15.949 ( 0.511 1.491 0.948) 1.839 16.546 ( 6.213 -1.041 2.472) 6.767 16.951 ( 10.059 -0.304 3.858) 10.778 17.327 ( -4.550 -1.514 7.479) 8.884 17.680 ( 12.470 2.217 -13.681) 18.644 18.233 ( -6.815 0.499 4.054) 7.945======================= Grid point 221 (99/172) =======================q-point: ( 0.30 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.363 ( 3.165 -1.915 4.868) 6.114 1.492 ( 4.059 -5.955 2.811) 7.736 1.667 ( 6.198 -0.180 0.215) 6.205 1.821 ( 3.957 -6.687 -0.608) 7.793 1.983 ( -3.560 2.576 0.131) 4.396 2.015 ( -1.204 -1.596 -4.289) 4.732 2.244 ( 0.599 -0.262 -0.053) 0.656 2.391 ( -3.526 5.925 -0.495) 6.912 2.517 ( -4.862 4.989 2.985) 7.579 2.595 ( -1.220 2.006 0.742) 2.463 2.670 ( -3.103 -2.972 3.306) 5.422 2.896 ( 4.756 -4.664 -2.878) 7.256 2.919 ( 6.077 0.195 -0.449) 6.096 3.085 ( 2.294 0.066 1.343) 2.659 3.215 ( -1.868 -0.986 -1.566) 2.630 3.344 ( 9.248 0.501 -2.345) 9.553 3.471 ( -4.987 1.567 -7.880) 9.456 3.767 ( -0.036 -0.016 2.696) 2.697 4.192 ( 12.978 1.471 -7.706) 15.165 4.724 ( 2.298 1.256 -1.834) 3.197 4.867 ( -6.819 -2.126 1.789) 7.364 5.081 ( 6.466 0.083 5.412) 8.432 5.238 ( -0.996 -0.429 3.375) 3.545 5.641 ( 2.828 3.557 -3.550) 5.767 5.669 ( 4.709 1.310 -1.730) 5.185 5.924 ( -17.524 1.286 -1.783) 17.662 6.383 ( -11.803 -3.520 20.079) 23.556 6.547 ( 11.357 -0.577 5.103) 12.464 6.962 ( 1.262 1.774 9.178) 9.433 7.260 ( 17.496 2.358 -23.347) 29.270 7.735 ( -9.005 0.673 6.010) 10.847 7.937 ( 2.986 -5.386 -7.196) 9.471 8.944 ( 9.171 1.088 0.975) 9.287 9.450 ( 5.794 0.217 -4.529) 7.357 9.732 ( -17.336 -0.428 2.889) 17.580 9.955 ( -9.994 0.090 -1.959) 10.185 12.573 ( -1.331 0.407 -2.975) 3.285 12.850 ( 2.199 0.134 4.364) 4.888 14.355 ( -2.933 -3.069 -6.087) 7.421 14.749 ( -6.025 2.321 -3.911) 7.549 14.943 ( 5.315 0.091 1.378) 5.492 15.560 ( -4.649 -0.844 6.628) 8.140 15.970 ( 2.574 2.286 -1.879) 3.922 16.641 ( 3.035 -0.458 4.703) 5.616 17.112 ( 6.536 -0.955 2.779) 7.166 17.306 ( -1.545 -3.042 3.704) 5.036 17.786 ( 5.778 2.446 -9.656) 11.516 18.101 ( -7.936 1.025 3.761) 8.842======================= Grid point 222 (100/172) =======================q-point: ( 0.40 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.415 ( 0.986 -1.424 0.467) 1.794 1.594 ( 0.742 -5.768 1.088) 5.916 1.787 ( 5.965 -1.025 2.611) 6.591 1.916 ( -0.323 4.035 2.561) 4.790 1.951 ( 3.574 -6.422 -1.042) 7.423 1.996 ( -2.286 -1.427 -2.439) 3.635 2.215 ( -1.347 4.337 -0.279) 4.550 2.290 ( -2.743 1.479 0.724) 3.199 2.357 ( -8.141 4.515 4.861) 10.502 2.559 ( 0.229 1.455 -0.185) 1.484 2.724 ( 4.208 0.491 1.073) 4.371 2.960 ( -0.595 -2.844 0.004) 2.906 3.019 ( 3.945 -3.395 -0.713) 5.253 3.074 ( -3.825 -1.034 0.806) 4.043 3.231 ( 3.139 0.452 -5.617) 6.450 3.347 ( -4.525 1.961 -6.446) 8.116 3.470 ( 5.913 2.524 -2.801) 7.013 3.797 ( 1.696 -0.302 5.102) 5.385 4.247 ( -0.301 3.444 -8.712) 9.372 4.706 ( -3.726 -0.576 2.511) 4.529 4.854 ( -2.278 -0.462 0.233) 2.336 5.129 ( -4.510 -4.638 7.139) 9.634 5.260 ( 6.307 1.461 -5.372) 8.412 5.619 ( -1.458 4.117 -0.015) 4.367 5.672 ( -6.929 -0.908 -0.866) 7.042 5.734 ( 1.250 -0.838 -1.842) 2.379 6.216 ( -14.569 -4.656 19.038) 24.421 6.735 ( 9.421 0.931 0.155) 9.468 6.984 ( -0.086 0.441 10.983) 10.992 7.438 ( 8.108 -0.573 -15.969) 17.918 7.682 ( 4.658 3.982 0.878) 6.191 7.985 ( -1.897 -4.410 -6.183) 7.829 9.084 ( 8.985 2.644 -3.758) 10.092 9.330 ( -17.530 -0.968 7.696) 19.169 9.683 ( 9.643 0.299 -5.112) 10.918 9.826 ( -4.145 -0.922 -0.608) 4.289 12.547 ( -0.819 0.233 -2.209) 2.367 12.888 ( 1.469 0.127 3.472) 3.772 14.327 ( -2.006 -2.212 -4.366) 5.289 14.645 ( -3.257 1.373 -2.411) 4.279 15.029 ( 6.115 3.212 0.487) 6.924 15.552 ( 1.031 -0.613 5.371) 5.503 15.973 ( 0.804 2.294 -3.648) 4.384 16.669 ( -1.062 1.062 6.681) 6.848 17.186 ( 0.081 -2.019 1.577) 2.563 17.331 ( -0.591 -4.104 0.353) 4.161 17.820 ( 1.532 1.762 -5.541) 6.013 17.991 ( -3.246 -0.324 2.736) 4.258======================= Grid point 223 (101/172) =======================q-point: (-0.50 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( -1.149 -0.338 -1.103) 1.628 1.629 ( -0.767 -2.823 0.402) 2.953 1.867 ( 1.539 1.077 1.271) 2.268 1.885 ( -2.195 4.074 1.212) 4.783 1.934 ( -0.413 3.272 4.703) 5.744 2.050 ( 0.919 -2.813 -1.959) 3.549 2.169 ( 0.996 5.016 -1.513) 5.333 2.224 ( -2.771 -0.797 4.408) 5.267 2.276 ( -0.207 -1.252 2.125) 2.475 2.584 ( 3.746 0.956 -0.310) 3.879 2.733 ( -3.026 2.812 2.268) 4.712 2.976 ( 0.007 -1.997 3.106) 3.692 3.004 ( -3.884 0.034 -1.769) 4.269 3.087 ( -0.466 -3.691 1.430) 3.985 3.198 ( -3.565 -0.541 -5.871) 6.890 3.328 ( 1.290 -0.504 -5.948) 6.107 3.499 ( 2.328 3.486 -2.134) 4.704 3.812 ( -1.320 1.618 4.459) 4.924 4.148 ( -4.174 4.467 -8.321) 10.325 4.662 ( -3.309 -1.099 4.798) 5.931 4.698 ( -11.237 0.701 -2.332) 11.498 5.084 ( -8.212 -7.957 1.867) 11.586 5.335 ( 0.915 -0.913 -3.115) 3.372 5.607 ( 2.895 2.252 2.134) 4.244 5.645 ( -0.603 -2.577 4.486) 5.208 5.705 ( -5.068 -3.948 0.384) 6.436 6.116 ( -3.119 -2.916 9.682) 10.581 6.849 ( 6.140 1.813 -5.256) 8.283 6.989 ( -1.627 -0.161 10.853) 10.975 7.537 ( 3.622 -4.767 -1.241) 6.114 7.740 ( 6.656 7.657 -12.342) 15.976 7.907 ( -9.206 -1.858 -5.640) 10.955 9.063 ( -13.364 -0.588 11.045) 17.348 9.193 ( 6.161 3.297 -8.110) 10.705 9.832 ( 6.951 -1.191 1.478) 7.205 9.900 ( 12.278 -0.903 -2.724) 12.609 12.533 ( -0.243 0.059 -1.349) 1.372 12.909 ( 0.300 0.058 1.990) 2.014 14.309 ( -0.728 -0.486 -1.834) 2.032 14.604 ( -0.117 0.752 -0.231) 0.796 15.106 ( 7.389 5.100 -0.391) 8.987 15.598 ( 3.121 1.802 3.753) 5.203 15.951 ( -0.390 0.715 -4.581) 4.652 16.602 ( -6.369 2.919 8.372) 10.917 17.171 ( -4.653 -3.498 0.748) 5.869 17.332 ( -4.064 -4.355 -2.518) 6.467 17.780 ( -0.257 3.614 -2.314) 4.299 18.046 ( 4.632 -5.551 0.938) 7.290======================= Grid point 224 (102/172) =======================q-point: (-0.40 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.359 ( -5.264 3.004 1.539) 6.253 1.622 ( -0.657 5.380 0.810) 5.481 1.749 ( -6.211 4.939 4.668) 9.207 1.839 ( -0.686 5.050 -2.099) 5.511 1.948 ( 4.435 4.270 3.627) 7.146 2.059 ( -1.730 -4.291 0.555) 4.660 2.161 ( 1.172 -0.350 -1.582) 1.999 2.261 ( 1.638 0.991 1.976) 2.751 2.293 ( -0.366 -1.236 2.584) 2.887 2.614 ( -5.022 2.013 3.190) 6.281 2.662 ( 4.769 0.630 -0.902) 4.894 2.903 ( -7.668 -0.872 -2.063) 7.988 2.997 ( -1.645 0.368 1.140) 2.035 3.075 ( -2.776 -1.465 0.835) 3.248 3.181 ( 0.491 -3.672 -0.995) 3.836 3.270 ( -7.247 -1.498 -1.237) 7.503 3.462 ( -7.435 1.496 4.011) 8.579 3.779 ( 4.184 4.737 -4.585) 7.808 4.016 ( -3.865 4.492 -6.952) 9.134 4.561 ( -2.652 -0.920 -2.028) 3.463 4.627 ( -3.383 -0.758 3.824) 5.161 5.005 ( -10.998 -11.954 3.535) 16.624 5.313 ( -3.681 -1.734 5.417) 6.775 5.579 ( -2.522 -1.524 -2.215) 3.686 5.677 ( -2.646 -4.532 -1.787) 5.543 5.745 ( 5.158 -1.468 3.715) 6.523 6.152 ( 1.369 -1.194 5.930) 6.202 6.905 ( 1.325 1.150 -4.141) 4.498 6.979 ( 0.777 0.104 3.028) 3.127 7.637 ( 0.214 -5.408 2.370) 5.909 7.683 ( -3.003 8.504 -13.208) 15.993 7.714 ( -9.631 -2.453 -7.116) 12.224 8.909 ( -7.116 0.622 12.911) 14.755 9.236 ( 4.480 3.936 -8.594) 10.460 10.039 ( 14.790 -1.569 1.300) 14.929 10.135 ( 13.387 -0.962 -0.589) 13.435 12.534 ( 0.599 -0.089 -0.449) 0.753 12.904 ( -1.118 -0.105 0.207) 1.142 14.305 ( 0.948 1.342 1.061) 1.956 14.625 ( 2.644 0.032 2.327) 3.523 15.189 ( 8.844 7.718 -2.038) 11.914 15.630 ( 2.242 2.303 3.729) 4.923 15.943 ( 0.650 -0.724 -4.856) 4.953 16.436 ( -10.839 3.773 9.337) 14.795 17.091 ( -9.199 -3.974 1.856) 10.191 17.256 ( -7.115 -3.135 -5.638) 9.604 17.789 ( 5.000 2.108 -2.796) 6.104 18.199 ( 4.782 -8.110 0.325) 9.421======================= Grid point 225 (103/172) =======================q-point: (-0.30 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.210 ( -7.580 6.194 8.293) 12.830 1.454 ( -5.736 16.788 8.545) 19.692 1.657 ( -2.823 2.243 -4.176) 5.517 1.784 ( -0.131 4.922 -2.966) 5.748 2.013 ( 2.413 -0.874 1.081) 2.785 2.079 ( -0.625 1.546 6.145) 6.367 2.151 ( 0.996 2.416 0.793) 2.731 2.243 ( -4.527 -2.442 2.888) 5.899 2.274 ( -0.368 0.737 -1.757) 1.940 2.587 ( 0.229 -0.911 -1.257) 1.569 2.656 ( -5.591 1.437 1.106) 5.878 2.812 ( -5.684 -1.780 3.687) 7.006 2.883 ( -7.527 -1.648 -1.937) 7.945 3.053 ( -1.974 -2.526 -1.808) 3.681 3.171 ( -3.350 -1.407 0.422) 3.658 3.250 ( 0.446 -2.394 0.786) 2.559 3.299 ( -4.853 1.141 5.933) 7.750 3.805 ( 1.729 4.781 -5.746) 7.672 3.975 ( 5.998 3.529 -1.843) 7.199 4.537 ( -4.568 0.805 4.436) 6.418 4.628 ( 4.190 -4.757 -6.897) 9.367 4.963 ( -7.984 -13.298 6.613) 16.862 5.284 ( -3.103 -1.619 8.960) 9.620 5.547 ( -3.601 -1.432 -4.683) 6.079 5.650 ( -1.958 -2.641 -5.467) 6.379 5.864 ( 5.430 -2.294 3.140) 6.679 6.172 ( -0.104 0.872 4.680) 4.762 6.821 ( -8.390 0.781 6.503) 10.644 7.028 ( 2.209 0.633 -15.659) 15.827 7.449 ( -9.753 2.900 -11.872) 15.636 7.580 ( -3.355 -0.447 -5.865) 6.771 7.736 ( -0.084 -6.258 5.566) 8.375 8.838 ( -3.054 2.514 13.315) 13.890 9.252 ( 3.681 4.479 -8.223) 10.061 10.335 ( 16.222 -1.866 0.070) 16.329 10.358 ( 11.112 -0.855 1.007) 11.191 12.555 ( 1.657 -0.245 0.518) 1.753 12.874 ( -2.456 -0.428 -1.294) 2.809 14.326 ( 3.106 2.672 3.503) 5.391 14.695 ( 3.968 -0.441 4.013) 5.660 15.265 ( 11.023 10.501 -3.590) 15.642 15.671 ( 1.956 -1.995 6.353) 6.940 15.965 ( 2.696 0.333 -4.979) 5.672 16.219 ( -11.811 3.642 9.969) 15.879 16.923 ( -13.862 -2.842 2.894) 14.443 17.146 ( -6.264 -1.603 -9.590) 11.566 17.888 ( 7.184 -0.733 -2.630) 7.686 18.326 ( 0.606 -8.101 -1.530) 8.267======================= Grid point 226 (104/172) =======================q-point: (-0.20 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.039 ( -7.006 7.604 14.191) 17.558 1.214 ( -6.554 16.043 13.181) 21.773 1.582 ( -0.588 3.925 -9.455) 10.254 1.716 ( -0.819 6.482 -4.887) 8.159 1.890 ( -10.053 8.629 17.121) 21.649 2.103 ( 2.555 -2.521 -1.778) 4.006 2.189 ( -0.500 -3.748 0.056) 3.782 2.242 ( -0.477 1.167 -0.443) 1.336 2.287 ( 8.546 0.873 3.495) 9.274 2.526 ( -14.904 0.939 2.466) 15.136 2.554 ( -2.191 -2.915 -2.893) 4.655 2.703 ( 0.832 -4.672 2.246) 5.250 2.882 ( -2.828 -2.058 -1.606) 3.849 3.029 ( -2.341 -2.405 -4.865) 5.911 3.168 ( -0.346 -1.008 -0.338) 1.117 3.186 ( -1.183 -0.407 -1.580) 2.015 3.390 ( 6.785 -0.023 7.307) 9.971 3.771 ( 1.259 3.958 -5.265) 6.705 4.095 ( 8.873 1.872 6.460) 11.134 4.451 ( -3.792 2.198 3.785) 5.791 4.762 ( 3.047 -10.398 -7.774) 13.335 4.983 ( -3.224 -9.862 4.347) 11.250 5.253 ( -3.201 -0.200 5.554) 6.414 5.431 ( -7.344 1.865 -7.360) 10.563 5.678 ( 3.771 -0.988 -0.590) 3.943 5.949 ( 0.154 -1.314 4.255) 4.456 6.189 ( 4.029 0.892 -0.321) 4.139 6.671 ( -8.749 1.054 9.108) 12.674 6.922 ( -8.339 -0.497 -19.616) 21.321 7.236 ( -8.044 3.953 -14.544) 17.084 7.656 ( 7.568 -5.773 1.362) 9.615 7.780 ( -1.883 -5.041 4.986) 7.336 8.793 ( -2.255 3.718 13.459) 14.144 9.252 ( 2.752 4.270 -8.352) 9.775 10.516 ( 5.923 -0.826 2.410) 6.448 10.594 ( 10.371 -2.052 -1.719) 10.711 12.596 ( 2.517 -0.415 1.619) 3.021 12.827 ( -3.243 -1.044 -2.006) 3.953 14.380 ( 5.247 3.055 4.450) 7.528 14.742 ( 0.571 2.262 0.490) 2.384 15.447 ( 20.857 4.539 -0.794) 21.360 15.729 ( -2.817 -6.002 7.876) 10.296 16.021 ( 5.109 3.361 -1.410) 6.276 16.029 ( -6.022 3.066 8.375) 10.761 16.709 ( -11.733 -0.658 0.295) 11.755 17.021 ( -7.303 -0.333 -12.250) 14.266 18.013 ( 3.561 -4.300 0.494) 5.605 18.327 ( -6.365 -3.685 -3.890) 8.321======================= Grid point 227 (105/172) =======================q-point: (-0.10 0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.918 ( -1.450 7.366 16.526) 18.152 1.031 ( -2.215 11.308 17.024) 20.557 1.544 ( 2.310 3.479 -11.565) 12.296 1.641 ( 1.233 6.593 -10.536) 12.490 1.729 ( -2.627 7.610 25.966) 27.186 2.168 ( -2.176 -4.917 0.907) 5.453 2.234 ( 1.978 -0.247 -1.077) 2.266 2.268 ( 4.579 -1.671 -1.850) 5.214 2.297 ( -6.329 -0.880 3.574) 7.322 2.465 ( 6.916 1.792 6.221) 9.473 2.548 ( 3.321 -0.106 -4.033) 5.226 2.786 ( 1.525 -5.266 -0.243) 5.487 2.821 ( -4.421 -4.703 -4.189) 7.695 3.002 ( -1.269 -0.761 -6.271) 6.443 3.156 ( -2.127 -1.906 0.952) 3.011 3.206 ( 2.825 1.628 -2.432) 4.068 3.484 ( 2.813 2.584 5.737) 6.893 3.759 ( 1.942 3.077 -6.716) 7.639 4.231 ( -0.140 -4.273 9.045) 10.005 4.398 ( 2.587 4.535 3.521) 6.297 4.864 ( -1.200 -9.530 1.173) 9.676 4.993 ( -4.194 -4.737 -2.890) 6.956 5.217 ( -2.737 0.912 2.507) 3.822 5.315 ( 2.871 3.353 -8.963) 9.991 5.774 ( 4.651 -1.301 4.382) 6.521 5.907 ( -3.768 1.227 3.808) 5.495 6.291 ( 6.571 -1.267 -3.737) 7.665 6.564 ( -4.655 0.449 9.227) 10.344 6.749 ( -6.919 -0.200 -17.026) 18.380 7.092 ( -2.504 0.675 -10.383) 10.702 7.763 ( -3.021 -2.446 3.967) 5.554 7.882 ( 9.540 -5.398 -1.245) 11.031 8.737 ( -3.301 3.757 14.005) 14.871 9.239 ( 1.544 2.996 -8.363) 9.017 10.575 ( -0.684 -0.810 2.735) 2.933 10.688 ( -1.071 -0.957 -1.830) 2.327 12.651 ( 2.698 -0.477 2.795) 3.914 12.776 ( -3.534 -1.515 -2.456) 4.562 14.464 ( 6.205 2.269 3.930) 7.687 14.676 ( -2.903 5.186 -4.294) 7.332 15.676 ( -10.287 -5.807 5.321) 12.956 15.807 ( 3.761 -1.224 1.938) 4.404 15.950 ( 8.203 -5.689 4.686) 11.028 16.221 ( 22.290 4.733 -1.329) 22.826 16.596 ( 2.002 2.734 -3.044) 4.555 16.837 ( -10.811 1.173 -12.219) 16.357 17.956 ( -19.436 -4.530 9.987) 22.316 18.263 ( 3.439 2.121 -4.002) 5.686======================= Grid point 230 (106/172) =======================q-point: ( 0.20 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( 4.800 0.000 6.861) 8.373 1.430 ( 2.991 0.000 1.795) 3.488 1.669 ( 6.712 0.000 -0.653) 6.744 1.755 ( 4.113 0.000 0.086) 4.114 1.982 ( -0.146 -0.000 -7.938) 7.940 2.023 ( -5.066 -0.000 3.336) 6.066 2.236 ( 1.924 0.000 -0.086) 1.926 2.467 ( -3.130 -0.000 -0.805) 3.232 2.584 ( -11.086 -0.000 8.978) 14.266 2.593 ( -1.480 -0.000 -1.105) 1.847 2.643 ( 3.653 0.000 2.361) 4.350 2.838 ( 3.575 0.000 -5.538) 6.592 2.926 ( 6.946 0.000 -2.216) 7.291 3.083 ( -0.731 -0.000 3.157) 3.240 3.205 ( 0.277 0.000 -1.488) 1.514 3.349 ( 10.202 0.000 -3.745) 10.868 3.491 ( -4.469 -0.000 -6.722) 8.072 3.766 ( -0.274 -0.000 2.010) 2.029 4.206 ( 14.086 0.000 -8.569) 16.488 4.742 ( 3.244 0.000 -1.998) 3.810 4.839 ( -9.457 -0.000 2.834) 9.872 5.076 ( 4.010 0.000 9.734) 10.528 5.240 ( 2.118 0.000 -0.297) 2.139 5.672 ( 4.595 0.000 -8.997) 10.102 5.685 ( 1.633 0.000 3.590) 3.944 5.936 ( -18.850 -0.000 -2.476) 19.012 6.350 ( -12.271 -0.000 20.192) 23.628 6.542 ( 12.425 0.000 5.227) 13.479 6.979 ( -0.054 -0.000 9.904) 9.904 7.285 ( 17.399 0.000 -23.753) 29.443 7.742 ( -8.272 -0.000 5.634) 10.009 7.883 ( 3.135 0.000 -5.977) 6.749 8.954 ( 9.836 0.000 0.100) 9.836 9.452 ( 5.507 0.000 -4.466) 7.090 9.728 ( -17.127 -0.000 3.024) 17.392 9.956 ( -10.311 -0.000 -1.927) 10.489 12.577 ( -1.489 -0.000 -3.199) 3.529 12.851 ( 2.173 0.000 4.400) 4.907 14.328 ( -2.111 -0.000 -5.012) 5.439 14.772 ( -7.754 -0.000 -3.447) 8.486 14.943 ( 8.020 0.000 0.082) 8.020 15.550 ( -5.081 -0.000 6.350) 8.132 15.992 ( 2.487 0.000 -1.724) 3.026 16.636 ( 3.724 0.000 4.297) 5.686 17.105 ( 6.613 0.000 3.915) 7.685 17.274 ( -2.250 -0.000 3.897) 4.500 17.810 ( 4.881 0.000 -10.654) 11.719 18.110 ( -8.054 -0.000 4.078) 9.028======================= Grid point 231 (107/172) =======================q-point: ( 0.30 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( 1.781 0.636 2.273) 2.957 1.491 ( 1.253 -4.345 0.501) 4.550 1.786 ( 6.182 0.606 2.313) 6.629 1.854 ( 5.076 -3.572 -0.946) 6.279 1.954 ( -1.314 0.016 -3.975) 4.187 1.978 ( -0.801 0.073 3.041) 3.145 2.244 ( -0.234 0.192 0.558) 0.634 2.369 ( -4.892 5.245 2.826) 7.709 2.422 ( -7.836 0.682 4.755) 9.191 2.581 ( 0.974 0.813 -0.215) 1.287 2.740 ( 6.279 1.586 0.941) 6.544 2.872 ( -1.669 -4.865 -1.384) 5.326 2.994 ( 1.741 -0.054 -4.070) 4.427 3.066 ( -1.016 -0.323 2.236) 2.477 3.237 ( 3.813 0.204 -4.977) 6.273 3.372 ( -5.779 0.649 -7.083) 9.164 3.517 ( 7.550 1.968 -1.192) 7.893 3.789 ( 1.823 -0.400 3.790) 4.224 4.293 ( 0.436 1.423 -10.548) 10.653 4.705 ( -5.877 0.272 3.930) 7.075 4.830 ( 0.959 -1.494 0.429) 1.826 5.070 ( -6.637 -1.786 9.930) 12.076 5.290 ( 4.393 1.245 -6.981) 8.342 5.649 ( -10.840 -0.714 -2.159) 11.076 5.683 ( -0.704 2.029 1.819) 2.814 5.721 ( 0.311 -0.535 -3.630) 3.683 6.153 ( -14.037 -2.049 18.982) 23.697 6.752 ( 10.625 0.602 0.666) 10.662 6.990 ( -0.955 0.220 11.408) 11.450 7.421 ( 2.553 -0.770 -9.253) 9.629 7.749 ( 9.367 2.698 -7.002) 12.002 7.917 ( -0.009 -2.665 -3.936) 4.753 9.118 ( 9.820 1.031 -5.284) 11.199 9.317 ( -18.009 -0.427 8.788) 20.043 9.688 ( 9.716 0.173 -5.552) 11.192 9.813 ( -5.201 -0.407 -0.340) 5.228 12.549 ( -1.026 0.056 -2.511) 2.713 12.890 ( 1.455 0.062 3.440) 3.735 14.303 ( -0.417 -0.585 -2.279) 2.390 14.663 ( -3.977 0.557 -2.111) 4.537 15.072 ( 7.210 1.309 -0.650) 7.357 15.538 ( 2.292 -0.533 3.517) 4.232 16.008 ( 0.358 1.177 -3.665) 3.866 16.681 ( 0.201 0.356 6.312) 6.325 17.172 ( -0.008 0.261 2.879) 2.890 17.259 ( -1.862 -3.047 1.451) 3.854 17.840 ( 1.738 0.553 -7.474) 7.694 17.992 ( -5.703 0.167 3.694) 6.797======================= Grid point 232 (108/172) =======================q-point: (-0.60 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( 0.639 0.580 -0.008) 0.863 1.542 ( -0.263 -5.406 -0.015) 5.412 1.868 ( 2.532 -0.264 3.136) 4.039 1.884 ( -3.213 -1.885 -4.013) 5.475 1.993 ( 2.546 2.353 5.622) 6.605 2.005 ( 4.621 -2.343 -0.470) 5.203 2.239 ( 0.726 1.879 0.508) 2.078 2.273 ( -3.832 3.627 6.757) 8.573 2.306 ( -0.573 4.719 -0.590) 4.790 2.612 ( 3.713 1.705 -0.347) 4.100 2.759 ( -4.654 -0.002 3.230) 5.665 2.913 ( 2.360 -4.333 2.215) 5.409 2.982 ( -2.431 -0.536 -4.695) 5.314 3.074 ( 1.458 0.212 1.804) 2.329 3.214 ( -5.642 2.245 -5.319) 8.072 3.308 ( -0.167 -1.719 -5.310) 5.584 3.565 ( 1.006 3.464 -0.301) 3.619 3.832 ( 1.795 0.539 2.658) 3.252 4.217 ( -3.787 2.849 -9.916) 10.990 4.639 ( -3.472 -1.001 4.785) 5.996 4.710 ( -11.819 0.345 -2.562) 12.099 4.956 ( -11.912 -5.610 5.003) 14.085 5.320 ( -0.460 -0.668 -2.802) 2.917 5.597 ( -1.056 -2.626 -0.316) 2.848 5.647 ( -5.446 -1.064 -1.230) 5.683 5.666 ( 0.858 2.670 7.608) 8.108 6.057 ( -2.498 -3.308 7.821) 8.852 6.883 ( 6.286 1.640 -3.952) 7.604 6.985 ( -2.079 -0.154 10.768) 10.968 7.457 ( 1.417 -3.650 1.306) 4.127 7.840 ( 1.265 2.702 -8.250) 8.773 7.895 ( -0.702 0.942 -11.188) 11.250 9.054 ( -13.344 -0.398 11.851) 17.851 9.239 ( 6.637 1.792 -9.320) 11.582 9.815 ( 6.078 -0.652 1.833) 6.382 9.887 ( 12.695 -0.533 -2.924) 13.038 12.532 ( -0.436 -0.063 -1.636) 1.695 12.910 ( 0.284 0.092 1.826) 1.850 14.310 ( 1.223 0.413 1.028) 1.650 14.617 ( -0.589 0.575 -0.202) 0.847 15.170 ( 6.368 1.913 -0.234) 6.654 15.627 ( 7.019 1.504 -0.974) 7.244 15.973 ( -1.734 1.327 -4.773) 5.249 16.647 ( -5.095 1.909 8.826) 10.368 17.127 ( -5.159 -1.093 0.300) 5.282 17.244 ( -4.841 -5.001 -0.967) 7.027 17.836 ( 0.619 2.605 -3.178) 4.156 17.964 ( 0.887 -3.514 2.434) 4.366======================= Grid point 233 (109/172) =======================q-point: (-0.50 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.406 ( -1.776 2.301 0.439) 2.940 1.594 ( 1.517 -4.318 -0.781) 4.643 1.827 ( -4.093 0.226 2.244) 4.673 1.885 ( -1.081 -0.401 1.080) 1.580 2.007 ( -1.514 2.266 4.022) 4.858 2.059 ( 3.148 3.201 3.097) 5.455 2.182 ( 0.253 5.082 -2.671) 5.747 2.267 ( 2.085 -0.457 2.192) 3.060 2.336 ( 4.950 4.603 2.422) 7.181 2.633 ( -6.509 -0.994 4.450) 7.947 2.682 ( 3.602 1.550 -2.708) 4.766 2.909 ( -4.667 1.399 -4.776) 6.823 2.985 ( 0.395 -1.630 2.905) 3.354 3.073 ( -5.145 1.885 -0.400) 5.494 3.123 ( 0.265 -2.667 1.179) 2.928 3.241 ( -8.236 -1.875 -0.352) 8.455 3.491 ( -7.747 1.779 2.560) 8.351 3.860 ( 5.303 3.963 -3.965) 7.716 4.092 ( -4.585 3.694 -8.082) 9.999 4.550 ( -4.370 -0.390 -3.515) 5.622 4.605 ( -3.561 -1.850 6.250) 7.428 4.800 ( -13.660 -9.759 4.476) 17.374 5.282 ( -3.886 -1.628 5.202) 6.694 5.556 ( -2.981 -1.377 -3.933) 5.123 5.596 ( -3.166 -3.968 -3.318) 6.064 5.740 ( 5.106 1.149 6.855) 8.625 6.105 ( 1.511 -3.781 3.870) 5.617 6.923 ( -2.238 0.737 2.203) 3.226 6.981 ( 3.052 0.137 -1.694) 3.493 7.535 ( 1.645 -5.375 3.271) 6.503 7.679 ( -14.357 -0.751 -0.479) 14.384 7.833 ( -1.486 6.689 -19.742) 20.897 8.921 ( -5.139 0.614 13.105) 14.090 9.296 ( 4.690 2.628 -8.486) 10.046 10.018 ( 15.296 -0.783 0.619) 15.328 10.118 ( 13.254 -0.828 -0.240) 13.282 12.531 ( 0.425 -0.202 -0.697) 0.841 12.904 ( -1.134 0.068 -0.078) 1.139 14.338 ( 2.737 2.117 4.297) 5.517 14.630 ( 2.323 0.386 2.061) 3.129 15.267 ( 6.673 1.173 -0.316) 6.783 15.700 ( 4.248 5.248 -4.179) 7.940 15.938 ( 0.742 0.027 -5.005) 5.060 16.503 ( -10.610 3.417 10.580) 15.368 17.028 ( -8.348 -2.610 -0.382) 8.754 17.178 ( -7.044 -5.310 -5.271) 10.275 17.833 ( 2.771 2.759 0.167) 3.914 18.065 ( 3.922 -6.600 1.379) 7.800======================= Grid point 234 (110/172) =======================q-point: (-0.40 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.321 ( -4.340 5.873 5.314) 9.031 1.646 ( 1.085 0.862 -2.383) 2.756 1.722 ( -5.312 7.031 7.746) 11.732 1.861 ( -0.891 1.397 -1.220) 2.058 1.957 ( -2.078 -1.929 1.105) 3.043 2.105 ( 3.085 1.971 1.156) 3.839 2.174 ( 1.842 1.040 -1.350) 2.510 2.288 ( -2.099 3.990 4.208) 6.168 2.298 ( -1.150 3.408 2.304) 4.272 2.594 ( 2.088 1.255 -2.444) 3.451 2.726 ( -2.748 4.844 -1.312) 5.722 2.779 ( -6.544 -0.989 1.524) 6.791 2.858 ( -11.328 -1.075 -1.094) 11.431 3.009 ( -2.493 -2.015 -1.069) 3.379 3.132 ( -1.545 -2.981 1.845) 3.831 3.218 ( 1.562 -0.422 2.864) 3.289 3.315 ( -7.681 0.403 5.953) 9.726 3.890 ( 0.608 4.538 -5.172) 6.907 4.037 ( 5.642 3.218 -2.904) 7.114 4.511 ( -4.144 -4.361 2.207) 6.408 4.583 ( -0.532 -0.355 -2.801) 2.873 4.732 ( -5.069 -11.069 5.397) 13.317 5.259 ( -1.987 -1.140 7.259) 7.611 5.500 ( -5.836 -3.923 -5.815) 9.125 5.588 ( -0.087 -3.217 -4.864) 5.832 5.832 ( 4.208 -1.270 5.503) 7.043 6.159 ( 0.671 -2.183 3.522) 4.198 6.826 ( -8.494 -0.160 7.269) 11.180 7.040 ( 2.524 0.587 -16.371) 16.574 7.436 ( -11.653 -1.952 4.252) 12.557 7.591 ( -4.158 -4.121 -8.302) 10.158 7.685 ( -1.700 4.147 -6.238) 7.681 8.886 ( -0.878 2.738 12.950) 13.265 9.328 ( 4.111 3.846 -7.599) 9.457 10.312 ( 16.515 -0.764 -0.546) 16.542 10.341 ( 11.230 -0.931 1.343) 11.348 12.549 ( 1.485 -0.329 0.272) 1.545 12.870 ( -2.526 -0.030 -1.706) 3.048 14.384 ( 4.346 3.636 6.681) 8.760 14.694 ( 4.445 0.167 4.210) 6.124 15.371 ( 6.420 0.678 -2.041) 6.771 15.674 ( -0.677 2.864 -2.981) 4.189 15.985 ( 6.070 1.836 -5.393) 8.325 16.286 ( -12.355 3.615 11.148) 17.029 16.877 ( -11.456 -2.093 0.438) 11.654 17.092 ( -6.039 -4.341 -10.467) 12.840 17.882 ( 3.615 0.093 2.800) 4.573 18.191 ( 2.905 -6.579 -0.197) 7.194======================= Grid point 235 (111/172) =======================q-point: (-0.30 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( -5.414 8.481 11.452) 15.244 1.492 ( -7.778 13.220 11.422) 19.124 1.661 ( 0.947 4.388 -7.264) 8.539 1.828 ( 0.728 4.877 -2.487) 5.523 1.971 ( -0.563 -2.389 0.781) 2.575 2.074 ( -4.636 -3.097 -0.433) 5.592 2.182 ( -0.846 8.368 3.910) 9.275 2.274 ( 1.239 2.193 0.068) 2.519 2.283 ( 4.798 -1.032 6.991) 8.541 2.543 ( -10.347 2.074 0.723) 10.578 2.552 ( -5.055 1.459 -2.226) 5.713 2.645 ( -0.976 -0.934 3.862) 4.091 2.843 ( -2.152 -2.560 -3.879) 5.121 2.979 ( -2.970 -2.691 -3.481) 5.308 3.129 ( -4.910 -3.021 2.845) 6.429 3.189 ( 3.573 0.564 -4.530) 5.797 3.388 ( 8.079 -0.113 9.108) 12.175 3.841 ( 0.514 3.666 -4.283) 5.661 4.127 ( 4.235 1.457 8.144) 9.294 4.475 ( -3.072 -1.190 1.798) 3.753 4.604 ( 1.347 -5.933 -4.778) 7.736 4.819 ( 2.965 -7.751 -0.732) 8.331 5.240 ( -2.841 -0.893 4.735) 5.594 5.403 ( -7.646 -4.278 -7.539) 11.559 5.644 ( 4.110 -2.459 -0.787) 4.854 5.910 ( 0.350 -3.065 5.559) 6.358 6.197 ( 2.807 -0.101 1.572) 3.219 6.685 ( -9.006 0.337 10.359) 13.730 6.911 ( -10.514 -0.645 -19.864) 22.484 7.304 ( -8.040 3.015 -12.224) 14.939 7.555 ( 4.583 -5.561 -0.283) 7.211 7.707 ( 1.001 -2.060 3.170) 3.911 8.869 ( -0.665 4.532 12.945) 13.731 9.335 ( 2.691 4.648 -7.843) 9.506 10.500 ( 5.806 -0.971 2.908) 6.565 10.569 ( 11.179 -0.725 -1.883) 11.360 12.588 ( 2.348 -0.477 1.310) 2.731 12.815 ( -3.475 -0.330 -2.520) 4.305 14.449 ( 5.754 4.461 7.266) 10.285 14.775 ( 3.748 1.424 3.700) 5.456 15.483 ( 7.830 -1.910 -3.624) 8.837 15.640 ( -3.259 -2.560 0.232) 4.151 16.081 ( -10.107 2.667 11.637) 15.643 16.088 ( 10.159 3.821 -3.943) 11.548 16.702 ( -8.241 0.117 -1.693) 8.414 16.997 ( -6.281 -2.457 -13.743) 15.308 17.941 ( -0.711 -3.300 7.248) 7.996 18.262 ( 0.436 -3.382 -3.291) 4.740======================= Grid point 236 (112/172) =======================q-point: (-0.20 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.062 ( -1.106 8.815 14.450) 16.962 1.281 ( -4.216 14.286 14.391) 20.712 1.628 ( 2.982 5.498 -10.969) 12.627 1.785 ( 2.082 8.467 -6.461) 10.852 1.910 ( -1.384 10.209 13.300) 16.824 2.061 ( -2.504 -6.371 0.445) 6.860 2.179 ( 3.479 -2.168 0.446) 4.124 2.266 ( 1.565 0.300 1.208) 2.000 2.316 ( -4.689 2.314 2.874) 5.966 2.470 ( 2.328 -1.247 6.857) 7.348 2.563 ( 5.670 1.738 -4.308) 7.330 2.666 ( -0.089 -6.254 2.302) 6.665 2.774 ( -4.120 -1.604 -3.809) 5.836 2.956 ( -2.240 -3.652 -4.836) 6.461 3.109 ( -2.093 -3.258 1.476) 4.144 3.247 ( 5.611 2.849 -6.329) 8.925 3.527 ( 5.207 1.803 6.475) 8.502 3.823 ( 1.542 3.600 -5.905) 7.086 4.149 ( -6.528 -5.106 10.809) 13.620 4.470 ( 3.951 3.232 2.896) 5.869 4.714 ( 4.870 -6.367 1.640) 8.182 4.905 ( -0.015 -4.654 -6.511) 8.003 5.211 ( -1.942 -1.412 0.500) 2.452 5.319 ( -2.323 -2.853 -7.750) 8.579 5.745 ( 3.123 -1.848 3.503) 5.044 5.910 ( -1.971 -1.350 4.967) 5.512 6.267 ( 3.652 -1.157 -1.012) 3.962 6.572 ( -5.661 0.408 10.401) 11.848 6.727 ( -6.851 -2.361 -14.464) 16.178 7.121 ( -5.373 2.486 -11.644) 13.062 7.737 ( 1.306 -0.024 0.276) 1.336 7.757 ( 9.050 -7.938 -0.317) 12.042 8.823 ( -2.426 5.462 13.550) 14.809 9.308 ( 0.863 4.388 -8.022) 9.185 10.557 ( -1.030 -1.143 2.945) 3.323 10.677 ( 0.759 -0.164 -1.783) 1.945 12.640 ( 2.633 -0.625 2.433) 3.639 12.752 ( -3.673 -0.927 -2.626) 4.609 14.525 ( 5.967 4.341 6.227) 9.655 14.775 ( -0.550 5.330 -1.990) 5.716 15.559 ( -9.677 -7.259 3.688) 12.647 15.717 ( 11.820 -6.661 -4.671) 14.350 15.922 ( -8.571 0.737 10.100) 13.267 16.275 ( 14.134 1.727 0.980) 14.273 16.648 ( 6.728 2.801 -6.498) 9.764 16.856 ( -7.949 0.623 -14.642) 16.673 17.886 ( -12.266 -2.847 12.900) 18.027 18.282 ( 2.002 -0.085 -4.263) 4.710======================= Grid point 237 (113/172) =======================q-point: (-0.10 0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.072 ( 7.233 8.491 12.668) 16.879 1.171 ( 2.128 10.377 15.185) 18.514 1.614 ( 2.142 4.104 -9.641) 10.695 1.720 ( 1.890 9.765 -8.706) 13.218 1.892 ( 5.957 8.817 16.735) 19.831 2.102 ( 1.270 -3.775 -1.528) 4.266 2.221 ( -1.871 -2.448 1.356) 3.367 2.279 ( 4.578 2.312 -1.501) 5.344 2.358 ( 5.822 -1.515 1.101) 6.115 2.442 ( -3.728 -1.467 4.049) 5.696 2.681 ( 1.564 -6.061 1.990) 6.568 2.734 ( 1.001 -3.355 -3.121) 4.691 2.826 ( 9.417 -0.820 -2.626) 9.810 2.962 ( 2.326 -4.147 -3.580) 5.951 3.087 ( -4.259 -1.760 2.993) 5.495 3.304 ( 5.954 4.511 -4.199) 8.569 3.539 ( -0.622 4.159 3.273) 5.329 3.779 ( -2.087 3.073 -9.266) 9.983 4.043 ( -11.471 -5.201 3.327) 13.027 4.553 ( 6.332 1.243 5.123) 8.239 4.796 ( -1.290 -2.691 0.202) 2.991 4.978 ( 6.476 -2.478 3.127) 7.607 5.214 ( 3.447 -1.036 -0.434) 3.625 5.333 ( -1.017 -2.400 -4.934) 5.580 5.735 ( -4.765 -2.940 0.124) 5.600 5.975 ( 6.779 0.927 5.193) 8.590 6.327 ( 2.247 -3.907 -3.515) 5.716 6.524 ( -2.180 -0.401 7.435) 7.759 6.670 ( 0.390 -0.485 -6.586) 6.615 7.045 ( -1.705 -0.925 -7.015) 7.278 7.756 ( 3.285 2.648 -4.253) 5.991 7.968 ( 6.619 -7.028 -2.904) 10.082 8.746 ( -3.447 5.165 14.427) 15.707 9.269 ( 0.784 2.935 -7.711) 8.288 10.497 ( -7.583 -1.381 2.174) 8.008 10.595 ( -9.081 0.927 -0.470) 9.140 12.696 ( 2.456 -0.617 3.440) 4.271 12.697 ( -3.257 -1.343 -2.784) 4.491 14.592 ( 3.877 3.469 3.513) 6.278 14.678 ( -1.749 6.896 -5.376) 8.917 15.409 ( -14.353 -4.812 1.305) 15.195 15.779 ( -3.269 1.395 4.991) 6.128 15.985 ( 2.935 -12.191 -1.863) 12.677 16.454 ( 3.412 0.152 4.263) 5.462 16.692 ( -1.896 4.182 -8.133) 9.340 16.923 ( 26.531 -0.546 -12.797) 29.461 17.658 ( -15.087 2.197 15.454) 21.708 18.314 ( 1.045 -0.652 -0.569) 1.357======================= Grid point 241 (114/172) =======================q-point: ( 0.30 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( 1.905 0.000 0.995) 2.149 1.473 ( -0.541 -0.000 -0.499) 0.736 1.863 ( -2.424 -0.000 -5.280) 5.810 1.868 ( 1.819 0.000 3.527) 3.969 1.978 ( 5.447 0.000 -0.064) 5.448 2.014 ( 3.073 0.000 6.498) 7.188 2.253 ( 1.201 0.000 0.570) 1.329 2.317 ( -2.864 -0.000 6.101) 6.740 2.357 ( -1.560 -0.000 0.088) 1.562 2.629 ( 3.333 0.000 -0.194) 3.338 2.752 ( -7.906 -0.000 3.066) 8.480 2.869 ( 6.067 0.000 2.164) 6.442 2.980 ( -1.265 -0.000 -6.107) 6.236 3.074 ( 0.979 0.000 1.386) 1.697 3.255 ( -6.236 -0.000 -4.987) 7.985 3.276 ( -0.256 -0.000 -4.766) 4.773 3.601 ( 0.471 0.000 0.268) 0.542 3.835 ( 3.178 0.000 2.030) 3.771 4.243 ( -3.679 -0.000 -11.107) 11.700 4.631 ( -3.831 -0.000 6.077) 7.184 4.711 ( -11.633 -0.000 -3.233) 12.074 4.903 ( -13.247 -0.000 6.218) 14.634 5.314 ( -1.529 -0.000 -2.436) 2.876 5.569 ( -1.277 -0.000 -1.223) 1.768 5.636 ( -7.056 -0.000 0.753) 7.096 5.700 ( 2.512 0.000 5.769) 6.292 6.021 ( -2.946 -0.000 7.298) 7.870 6.899 ( 6.238 0.000 -3.709) 7.257 6.984 ( -2.265 -0.000 10.910) 11.143 7.422 ( 0.714 0.000 1.973) 2.098 7.854 ( -6.117 -0.000 -1.201) 6.234 7.915 ( 7.872 0.000 -18.475) 20.082 9.050 ( -13.269 -0.000 12.151) 17.992 9.256 ( 6.709 0.000 -9.734) 11.822 9.809 ( 5.856 0.000 1.877) 6.149 9.882 ( 12.803 0.000 -2.976) 13.144 12.531 ( -0.500 -0.000 -1.753) 1.823 12.911 ( 0.285 0.000 1.740) 1.763 14.315 ( 1.964 0.000 2.246) 2.983 14.622 ( -0.772 -0.000 -0.113) 0.780 15.184 ( 5.179 0.000 0.083) 5.180 15.643 ( 9.256 0.000 -3.106) 9.763 15.987 ( -2.262 -0.000 -4.958) 5.449 16.665 ( -4.472 -0.000 8.838) 9.905 17.127 ( -5.456 -0.000 0.802) 5.515 17.184 ( -5.256 -0.000 -0.525) 5.282 17.865 ( 3.189 0.000 -5.661) 6.498 17.927 ( -2.707 -0.000 4.890) 5.589======================= Grid point 242 (115/172) =======================q-point: (-0.60 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( -0.230 2.061 0.261) 2.091 1.516 ( 3.008 -3.629 -0.204) 4.718 1.807 ( -3.135 -1.118 -2.833) 4.371 1.869 ( -2.387 -0.620 3.626) 4.385 2.033 ( -0.347 0.543 3.221) 3.285 2.091 ( 3.948 0.536 8.028) 8.962 2.279 ( 2.197 1.910 -0.223) 2.920 2.309 ( 1.281 5.954 -0.724) 6.133 2.384 ( 6.787 -0.043 1.049) 6.867 2.584 ( -9.910 -2.949 5.030) 11.498 2.708 ( 3.098 0.930 -2.733) 4.235 2.935 ( -1.987 0.950 -6.948) 7.289 2.964 ( 3.266 -0.473 3.248) 4.631 3.083 ( -2.886 -1.083 -0.518) 3.126 3.133 ( -6.789 3.529 1.045) 7.722 3.199 ( -5.473 -2.820 0.425) 6.171 3.522 ( -9.202 1.264 2.059) 9.514 3.911 ( 6.598 1.514 -3.366) 7.560 4.139 ( -4.988 1.378 -9.756) 11.043 4.545 ( -4.951 -0.164 -3.952) 6.337 4.558 ( -9.822 -2.531 13.105) 16.572 4.692 ( -9.590 -2.292 0.249) 9.863 5.260 ( -3.658 -0.726 5.355) 6.526 5.514 ( -5.339 -2.015 -3.292) 6.588 5.563 ( -1.442 -0.364 -5.036) 5.251 5.775 ( 3.792 1.949 8.999) 9.958 6.036 ( 1.455 -2.890 1.720) 3.664 6.931 ( -4.790 0.240 5.997) 7.679 6.984 ( 4.325 0.148 -4.277) 6.084 7.463 ( 1.897 -2.224 3.051) 4.225 7.673 ( -14.572 -0.038 1.364) 14.635 7.916 ( -1.916 2.397 -21.039) 21.262 8.929 ( -3.795 0.266 13.232) 13.768 9.328 ( 4.926 0.916 -8.447) 9.821 10.010 ( 15.715 -0.218 -0.030) 15.716 10.107 ( 13.129 -0.329 0.030) 13.133 12.528 ( 0.368 -0.095 -0.839) 0.921 12.905 ( -1.120 0.048 -0.290) 1.158 14.370 ( 3.779 1.104 6.640) 7.720 14.635 ( 2.131 0.185 2.112) 3.006 15.263 ( 3.878 -0.657 0.493) 3.964 15.783 ( 6.584 2.919 -9.232) 11.709 15.940 ( 0.558 0.112 -4.938) 4.971 16.549 ( -10.451 1.446 11.447) 15.568 17.010 ( -7.243 0.604 -2.436) 7.665 17.083 ( -7.751 -4.331 -3.401) 9.508 17.886 ( 0.853 3.059 3.586) 4.790 17.966 ( 4.430 -4.292 -0.605) 6.198======================= Grid point 243 (116/172) =======================q-point: (-0.50 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.412 ( -1.205 3.990 3.233) 5.275 1.616 ( 4.683 -2.673 -1.931) 5.727 1.774 ( -1.702 -1.305 1.339) 2.528 1.824 ( -4.539 -1.473 3.986) 6.218 1.993 ( -2.148 2.607 2.669) 4.305 2.127 ( -3.168 0.727 5.745) 6.601 2.251 ( 1.665 5.913 0.976) 6.220 2.318 ( 2.502 2.282 1.575) 3.734 2.391 ( -3.630 3.524 1.154) 5.189 2.590 ( 4.980 -2.705 -2.035) 6.022 2.731 ( -0.531 -0.274 -4.231) 4.273 2.839 ( -13.872 0.397 1.172) 13.927 2.862 ( -4.073 4.243 -6.330) 8.641 2.993 ( -3.343 0.183 -0.559) 3.395 3.080 ( 0.607 -2.187 2.614) 3.462 3.233 ( 1.246 1.662 6.711) 7.025 3.314 ( -9.257 -0.392 4.943) 10.502 3.961 ( -1.021 3.097 -6.107) 6.923 4.086 ( 5.962 2.120 -3.609) 7.285 4.394 ( -12.744 -7.571 12.651) 19.488 4.566 ( 3.794 -1.805 -3.386) 5.395 4.622 ( -1.675 -1.382 -1.847) 2.850 5.245 ( -0.638 -0.441 6.111) 6.160 5.419 ( -7.926 -4.257 -5.333) 10.459 5.549 ( 0.298 -1.243 -5.415) 5.564 5.822 ( 1.209 0.140 8.634) 8.719 6.106 ( 2.755 -3.091 1.060) 4.274 6.820 ( -9.033 -0.449 7.384) 11.676 7.047 ( 2.853 0.235 -15.585) 15.846 7.411 ( -13.999 -0.825 9.520) 16.950 7.512 ( -0.803 -3.387 -2.153) 4.093 7.769 ( -5.301 3.667 -16.777) 17.972 8.929 ( 0.899 1.845 12.531) 12.698 9.384 ( 4.649 2.220 -7.260) 8.902 10.305 ( 16.985 -0.152 -1.574) 17.059 10.326 ( 11.217 -0.673 1.863) 11.390 12.544 ( 1.437 -0.210 0.131) 1.458 12.871 ( -2.500 0.077 -2.033) 3.224 14.446 ( 5.260 2.966 9.828) 11.534 14.698 ( 4.495 0.225 4.387) 6.285 15.334 ( 2.243 -3.090 -0.163) 3.822 15.737 ( -3.446 2.963 -9.258) 10.313 16.026 ( 8.969 2.312 -6.506) 11.319 16.342 ( -13.311 2.352 12.096) 18.140 16.860 ( -8.601 0.577 -2.632) 9.013 16.998 ( -5.978 -5.738 -9.072) 12.286 17.890 ( 0.206 0.658 7.789) 7.819 18.097 ( 5.946 -3.766 -1.850) 7.277======================= Grid point 244 (117/172) =======================q-point: (-0.40 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.333 ( -3.020 7.772 8.436) 11.861 1.647 ( -4.633 3.451 4.712) 7.455 1.738 ( 1.386 4.340 0.620) 4.598 1.818 ( 0.527 -4.682 -0.690) 4.762 1.962 ( 1.139 1.831 -0.694) 2.265 2.011 ( -8.496 -3.133 1.519) 9.182 2.272 ( 1.782 0.550 5.819) 6.110 2.327 ( 1.959 5.154 -0.051) 5.514 2.337 ( 1.080 4.538 -0.360) 4.679 2.532 ( -10.681 -2.180 2.830) 11.262 2.647 ( -0.914 4.797 -3.808) 6.193 2.696 ( -5.762 8.280 2.765) 10.460 2.792 ( -0.668 -2.818 -4.245) 5.139 2.941 ( -3.218 -1.583 -3.245) 4.837 3.072 ( -6.622 -2.761 5.348) 8.948 3.196 ( 6.139 -0.205 -6.223) 8.743 3.392 ( 7.611 0.742 11.122) 13.497 3.896 ( -0.650 2.381 -3.719) 4.463 4.137 ( -3.798 -0.605 11.015) 11.667 4.379 ( 3.057 -6.647 -0.111) 7.318 4.582 ( 1.266 1.194 -2.049) 2.688 4.713 ( 6.558 -4.240 -5.372) 9.478 5.229 ( -2.994 -0.304 2.886) 4.169 5.305 ( -8.678 -5.742 -6.385) 12.208 5.601 ( 4.790 -2.148 -0.496) 5.273 5.850 ( -1.634 -3.223 7.398) 8.233 6.186 ( 4.025 -1.034 1.130) 4.306 6.679 ( -9.242 -0.911 10.430) 13.965 6.902 ( -13.166 -0.232 -18.468) 22.682 7.337 ( -3.592 0.875 -3.190) 4.883 7.463 ( -0.850 -4.306 -3.562) 5.652 7.707 ( 2.631 1.332 -3.440) 4.531 8.946 ( 0.752 3.813 12.185) 12.790 9.410 ( 2.804 3.524 -7.546) 8.788 10.484 ( 5.722 -0.750 3.354) 6.674 10.563 ( 11.895 -0.068 -2.709) 12.200 12.580 ( 2.290 -0.330 1.135) 2.577 12.813 ( -3.524 0.035 -3.000) 4.628 14.533 ( 6.346 4.667 10.641) 13.239 14.794 ( 5.540 0.819 5.811) 8.070 15.393 ( -0.114 -6.315 -0.604) 6.345 15.635 ( -3.878 0.684 -9.144) 9.956 16.122 ( -12.125 1.817 11.852) 17.053 16.149 ( 9.411 2.818 -3.860) 10.554 16.718 ( -4.714 1.783 -4.453) 6.726 16.934 ( -4.699 -4.407 -13.510) 14.968 17.899 ( -2.271 -1.467 11.122) 11.446 18.209 ( 4.073 -2.366 -3.180) 5.683======================= Grid point 245 (118/172) =======================q-point: (-0.30 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.229 ( -0.852 9.524 11.719) 15.125 1.500 ( -4.725 9.496 12.325) 16.261 1.729 ( 2.319 5.357 -7.941) 9.856 1.874 ( 2.665 -0.933 -1.537) 3.215 1.942 ( -3.333 -6.067 0.702) 6.958 1.995 ( 2.845 2.119 -1.813) 3.984 2.248 ( 0.884 2.993 2.069) 3.744 2.313 ( 1.890 5.701 4.424) 7.460 2.360 ( -2.855 4.454 0.782) 5.348 2.435 ( 2.128 -1.636 3.247) 4.213 2.598 ( 1.836 0.896 3.821) 4.333 2.604 ( -2.491 1.871 -0.198) 3.122 2.759 ( -2.119 -0.053 -1.813) 2.789 2.892 ( -3.562 -2.977 -3.917) 6.074 3.042 ( -1.984 -3.964 2.927) 5.312 3.302 ( 8.261 2.864 -9.725) 13.077 3.543 ( 6.710 0.063 8.153) 10.560 3.879 ( 1.286 2.555 -4.774) 5.565 4.048 ( -11.070 -5.801 11.097) 16.714 4.503 ( 4.870 0.349 3.105) 5.786 4.650 ( 7.318 -0.936 1.803) 7.595 4.830 ( 3.957 -3.629 -10.240) 11.562 5.178 ( -3.594 -1.917 -1.285) 4.271 5.231 ( -3.288 -6.230 -5.625) 9.015 5.713 ( 3.190 -1.478 3.937) 5.278 5.858 ( -0.716 -4.076 4.791) 6.331 6.256 ( 2.410 -0.121 1.909) 3.077 6.575 ( -6.374 -0.256 13.060) 14.535 6.670 ( -9.195 -3.526 -13.598) 16.790 7.171 ( -6.847 2.820 -12.962) 14.928 7.617 ( 8.232 -7.142 1.088) 10.952 7.758 ( 5.109 1.939 -4.260) 6.929 8.923 ( -1.565 5.348 12.749) 13.914 9.386 ( 0.291 4.101 -7.850) 8.861 10.537 ( -1.350 -1.039 3.228) 3.650 10.680 ( 1.982 0.428 -2.583) 3.284 12.630 ( 2.606 -0.472 2.181) 3.431 12.743 ( -3.817 -0.224 -3.143) 4.949 14.615 ( 6.041 5.540 9.091) 12.241 14.859 ( 2.465 4.023 2.408) 5.297 15.418 ( -7.060 -8.235 2.000) 11.029 15.611 ( 3.758 -4.969 -9.141) 11.063 15.939 ( -10.169 0.881 10.223) 14.446 16.294 ( 9.082 0.561 2.311) 9.388 16.694 ( 6.617 2.323 -7.728) 10.435 16.855 ( -3.828 -0.797 -16.061) 16.530 17.854 ( -7.697 -0.929 13.817) 15.843 18.267 ( 1.795 -1.279 -3.482) 4.121======================= Grid point 246 (119/172) =======================q-point: (-0.20 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.215 ( 5.905 7.849 10.859) 14.642 1.386 ( -0.089 11.926 12.323) 17.149 1.683 ( -1.228 3.385 -6.815) 7.708 1.900 ( 3.415 6.723 -5.369) 9.257 1.977 ( 0.047 -1.445 3.644) 3.921 2.038 ( 6.098 -1.361 -2.444) 6.709 2.245 ( 0.786 7.093 2.950) 7.722 2.323 ( 5.999 1.430 -2.892) 6.812 2.346 ( 4.547 0.903 6.504) 7.987 2.438 ( -4.345 2.556 2.352) 5.562 2.571 ( -1.482 -5.696 5.276) 7.904 2.703 ( 5.812 -1.009 -4.384) 7.349 2.807 ( 7.403 -0.795 0.233) 7.449 2.868 ( -0.614 -5.445 -2.267) 5.930 3.048 ( -2.439 -2.587 3.696) 5.129 3.390 ( 7.865 4.734 -6.499) 11.248 3.607 ( 0.708 3.011 3.485) 4.660 3.835 ( -3.496 2.862 -9.335) 10.371 3.932 ( -9.515 -6.660 5.830) 12.996 4.555 ( 1.766 -0.972 3.992) 4.472 4.779 ( 2.414 0.523 -0.276) 2.486 4.922 ( 8.812 -2.925 0.133) 9.285 5.182 ( 2.801 -3.020 -2.184) 4.662 5.261 ( -0.711 -5.244 -4.697) 7.076 5.688 ( -6.244 -2.428 1.926) 6.971 5.969 ( 7.336 -1.469 3.528) 8.272 6.276 ( 0.753 -1.506 -0.862) 1.892 6.510 ( -2.855 -1.292 4.006) 5.086 6.629 ( -0.457 -3.538 3.373) 4.910 7.050 ( -2.723 1.344 -8.538) 9.062 7.814 ( 7.537 -1.291 -6.633) 10.123 7.835 ( 6.765 -2.517 -3.902) 8.206 8.848 ( -3.741 5.914 13.848) 15.515 9.329 ( -0.644 3.537 -7.474) 8.293 10.471 ( -7.860 -1.444 2.160) 8.279 10.613 ( -8.106 1.111 -1.607) 8.338 12.678 ( -3.206 -0.708 -2.874) 4.363 12.685 ( 2.498 -0.557 3.090) 4.012 14.671 ( 4.133 5.199 6.441) 9.252 14.808 ( -1.678 7.346 -4.307) 8.679 15.312 ( -11.637 -5.841 0.911) 13.052 15.770 ( 4.130 -10.812 -3.699) 12.150 15.803 ( -6.139 0.353 6.387) 8.866 16.442 ( 6.036 -1.103 6.719) 9.099 16.756 ( -0.362 2.797 -9.366) 9.782 16.912 ( 19.220 -0.623 -14.526) 24.099 17.704 ( -11.043 2.684 14.460) 18.391 18.290 ( -0.312 -1.887 -1.172) 2.243======================= Grid point 247 (120/172) =======================q-point: (-0.10 0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.306 ( 6.243 3.616 8.107) 10.853 1.332 ( 5.413 12.482 9.892) 16.821 1.622 ( -1.297 1.892 -3.837) 4.471 1.866 ( 4.354 11.557 -5.985) 13.724 2.005 ( -0.944 -4.107 4.177) 5.933 2.104 ( 0.342 1.160 -3.657) 3.852 2.222 ( -0.058 1.651 0.163) 1.661 2.376 ( 2.276 2.363 2.495) 4.122 2.424 ( 3.812 -0.477 -2.010) 4.336 2.505 ( 12.347 1.518 1.132) 12.492 2.621 ( 1.373 -7.197 2.908) 7.883 2.772 ( 2.933 -0.341 -0.885) 3.082 2.842 ( 0.204 -1.163 -0.691) 1.368 2.992 ( -5.909 -0.163 5.749) 8.246 3.080 ( 9.845 -5.455 0.616) 11.272 3.441 ( 1.039 6.167 2.026) 6.574 3.604 ( 8.179 2.916 -4.756) 9.900 3.689 ( -7.154 1.178 -9.015) 11.568 3.857 ( -5.545 -3.129 -0.946) 6.437 4.655 ( 7.308 -3.526 0.448) 8.127 4.757 ( -1.451 0.258 -3.230) 3.551 5.126 ( 7.140 -0.855 7.326) 10.265 5.213 ( -5.143 -0.574 1.090) 5.288 5.325 ( 8.303 -4.514 2.403) 9.752 5.613 ( -4.834 -3.972 -5.428) 8.283 6.097 ( 5.472 -1.270 0.361) 5.629 6.351 ( 3.587 -1.867 4.304) 5.906 6.505 ( 0.015 -1.283 4.391) 4.574 6.686 ( 3.368 -2.852 2.870) 5.264 7.003 ( -0.401 0.542 -5.015) 5.060 7.893 ( 8.135 6.460 -10.778) 14.969 7.958 ( -0.108 -6.569 -3.671) 7.526 8.771 ( -1.621 4.331 13.505) 14.275 9.296 ( 1.819 1.765 -7.125) 7.563 10.312 ( -12.154 -1.402 0.825) 12.262 10.398 ( -14.519 1.227 -0.232) 14.572 12.631 ( -2.436 -1.036 -2.997) 3.999 12.742 ( 2.605 -0.484 4.034) 4.826 14.638 ( -3.400 7.915 -5.972) 10.482 14.733 ( 2.058 2.964 1.116) 3.777 15.142 ( -12.137 -2.598 0.321) 12.416 15.745 ( -3.570 -1.364 3.750) 5.354 15.862 ( -2.390 -7.953 -0.022) 8.304 16.521 ( 3.359 2.239 3.964) 5.658 16.797 ( 9.423 2.493 -2.030) 9.957 17.266 ( 18.157 -5.854 -12.749) 22.946 17.528 ( -6.634 4.641 11.339) 13.932 18.278 ( -3.550 -2.351 1.596) 4.547======================= Grid point 252 (121/172) =======================q-point: (-0.60 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( -0.034 -0.000 2.624) 2.624 1.584 ( 5.861 0.000 -1.207) 5.984 1.750 ( -1.996 -0.000 -2.211) 2.979 1.817 ( -3.571 -0.000 5.004) 6.148 2.015 ( -2.280 -0.000 4.345) 4.907 2.133 ( -4.564 -0.000 9.322) 10.380 2.328 ( -1.633 -0.000 3.157) 3.555 2.342 ( 3.840 0.000 -1.597) 4.159 2.420 ( -4.930 -0.000 1.392) 5.122 2.542 ( 7.719 0.000 -2.989) 8.278 2.735 ( 0.245 0.000 -5.039) 5.045 2.838 ( -16.435 -0.000 2.150) 16.575 2.904 ( -0.468 -0.000 -8.588) 8.601 2.997 ( -5.440 -0.000 -0.591) 5.472 3.063 ( 3.805 0.000 0.597) 3.852 3.254 ( 2.424 0.000 9.499) 9.803 3.309 ( -11.554 -0.000 4.003) 12.227 3.991 ( -2.005 -0.000 -8.008) 8.255 4.107 ( 7.446 0.000 -4.120) 8.510 4.311 ( -15.572 -0.000 18.454) 24.146 4.548 ( 4.894 0.000 -5.068) 7.045 4.616 ( -1.544 -0.000 -2.606) 3.029 5.242 ( 0.244 0.000 5.660) 5.666 5.376 ( -8.520 -0.000 -4.794) 9.776 5.539 ( -0.100 -0.000 -5.892) 5.893 5.827 ( -0.937 -0.000 10.480) 10.521 6.073 ( 4.427 0.000 -0.659) 4.476 6.815 ( -9.438 -0.000 7.463) 12.032 7.049 ( 2.973 0.000 -14.968) 15.261 7.404 ( -15.020 -0.000 11.029) 18.634 7.481 ( 0.156 0.000 -2.089) 2.095 7.803 ( -5.982 -0.000 -18.323) 19.275 8.947 ( 1.583 0.000 12.346) 12.447 9.404 ( 4.888 0.000 -7.161) 8.671 10.304 ( 17.456 0.000 -2.359) 17.615 10.320 ( 10.917 0.000 2.439) 11.186 12.542 ( 1.434 0.000 0.088) 1.437 12.872 ( -2.483 -0.000 -2.151) 3.285 14.476 ( 5.642 0.000 11.304) 12.634 14.700 ( 4.480 0.000 4.487) 6.341 15.301 ( 1.055 0.000 -0.615) 1.221 15.764 ( -4.863 -0.000 -10.175) 11.278 16.050 ( 9.701 0.000 -7.262) 12.118 16.364 ( -13.820 -0.000 12.435) 18.591 16.897 ( -6.015 -0.000 -5.499) 8.150 16.911 ( -7.108 -0.000 -6.606) 9.704 17.898 ( -1.697 -0.000 10.476) 10.612 18.062 ( 7.793 0.000 -3.694) 8.624======================= Grid point 254 (122/172) =======================q-point: (-0.50 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( -0.740 3.632 6.178) 7.205 1.658 ( -0.199 -0.663 1.008) 1.223 1.749 ( 1.585 -2.165 -1.782) 3.221 1.790 ( 1.210 1.149 2.333) 2.868 1.972 ( -11.418 -0.909 6.887) 13.365 1.987 ( -0.878 0.597 2.687) 2.889 2.306 ( -2.458 2.557 4.888) 6.039 2.381 ( -1.741 0.186 -1.359) 2.217 2.391 ( 2.422 1.602 0.855) 3.027 2.499 ( -6.573 -0.686 0.654) 6.641 2.699 ( -1.083 1.889 -3.320) 3.970 2.743 ( 0.167 -1.812 -1.231) 2.197 2.858 ( -3.081 5.811 -4.154) 7.779 2.913 ( -3.319 -1.761 -2.815) 4.695 3.059 ( -8.583 1.550 5.319) 10.215 3.171 ( 7.108 -2.233 -6.986) 10.213 3.411 ( 7.314 0.968 12.634) 14.630 3.924 ( -1.664 0.710 -4.564) 4.910 4.109 ( -12.088 -1.693 15.959) 20.092 4.299 ( 11.504 -1.958 -0.713) 11.691 4.603 ( 1.555 0.859 -2.494) 3.062 4.661 ( 7.362 -1.558 -7.153) 10.382 5.213 ( -8.569 -1.889 -4.166) 9.714 5.239 ( -3.821 -0.657 0.103) 3.878 5.572 ( 5.231 -0.872 -0.432) 5.320 5.807 ( -3.577 -1.279 8.686) 9.480 6.169 ( 5.685 -0.633 0.039) 5.720 6.662 ( -9.734 -0.670 10.190) 14.108 6.901 ( -14.604 0.009 -16.983) 22.399 7.344 ( 2.709 0.143 8.854) 9.261 7.409 ( -6.201 -1.548 -11.560) 13.209 7.731 ( 2.099 0.859 -7.846) 8.167 8.996 ( 1.567 1.504 11.625) 11.826 9.455 ( 2.921 1.320 -7.418) 8.081 10.474 ( 5.666 -0.287 3.634) 6.737 10.564 ( 12.297 0.027 -3.252) 12.719 12.576 ( 2.285 -0.112 1.074) 2.528 12.814 ( -3.522 0.051 -3.243) 4.788 14.600 ( 6.942 2.279 13.634) 15.469 14.804 ( 6.357 0.282 6.820) 9.328 15.300 ( -2.288 -3.098 -2.054) 4.365 15.645 ( -5.812 0.304 -11.654) 13.027 16.144 ( -13.354 0.647 11.784) 17.822 16.184 ( 7.734 1.009 -3.422) 8.517 16.768 ( -3.046 3.590 -7.258) 8.651 16.849 ( -2.840 -4.721 -11.914) 13.126 17.884 ( -2.733 -0.350 12.483) 12.784 18.180 ( 5.560 -0.854 -3.155) 6.449======================= Grid point 255 (123/172) =======================q-point: (-0.40 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.388 ( -0.531 7.665 8.805) 11.686 1.601 ( -3.735 1.571 7.623) 8.633 1.792 ( -2.648 0.334 -3.614) 4.492 1.821 ( 2.759 -2.497 -0.210) 3.727 1.878 ( 0.705 0.440 2.046) 2.208 2.019 ( 4.448 -0.104 0.713) 4.506 2.260 ( -0.541 -0.386 3.321) 3.387 2.314 ( -4.444 -2.618 3.986) 6.519 2.430 ( 4.862 2.487 -2.268) 5.913 2.481 ( 2.006 3.503 0.418) 4.059 2.635 ( -4.587 1.613 0.611) 4.901 2.707 ( -1.551 7.013 -1.002) 7.252 2.776 ( 1.229 2.638 0.748) 3.005 2.855 ( -4.760 -1.302 -3.713) 6.175 2.982 ( -2.001 -1.764 5.181) 5.827 3.324 ( 9.836 -1.015 -13.312) 16.582 3.542 ( 5.723 0.316 11.513) 12.861 3.911 ( 0.924 0.999 -2.792) 3.106 3.959 ( -11.175 -3.622 10.731) 15.910 4.498 ( 6.901 -0.441 4.621) 8.317 4.656 ( 6.355 0.967 0.509) 6.448 4.774 ( 6.146 -2.605 -12.157) 13.869 5.124 ( -3.298 -4.797 -4.214) 7.187 5.151 ( -5.671 -1.112 -2.535) 6.310 5.699 ( 3.870 0.030 4.325) 5.804 5.781 ( -0.270 -4.052 4.729) 6.234 6.258 ( 3.457 0.272 2.639) 4.358 6.559 ( -5.513 -1.415 15.366) 16.386 6.620 ( -13.231 -1.684 -13.252) 18.802 7.215 ( -7.296 1.892 -13.950) 15.856 7.513 ( 7.663 -4.282 2.780) 9.208 7.793 ( 7.000 1.589 -7.440) 10.337 9.003 ( -0.980 3.343 11.934) 12.432 9.447 ( -0.072 2.473 -7.777) 8.161 10.521 ( -1.597 -0.627 3.513) 3.910 10.688 ( 2.625 0.366 -3.294) 4.227 12.624 ( 2.605 -0.229 2.089) 3.347 12.742 ( -3.909 0.020 -3.508) 5.252 14.712 ( 6.438 4.818 12.410) 14.788 14.920 ( 5.701 2.672 7.066) 9.464 15.276 ( -5.587 -6.955 -0.792) 8.956 15.542 ( -3.068 -2.649 -13.534) 14.128 15.951 ( -10.621 0.482 10.023) 14.611 16.299 ( 6.569 0.137 2.804) 7.144 16.732 ( 3.960 1.867 -7.560) 8.736 16.832 ( 0.849 -1.456 -16.772) 16.856 17.846 ( -5.229 -0.102 13.640) 14.608 18.245 ( 1.615 -1.038 -2.696) 3.310======================= Grid point 256 (124/172) =======================q-point: (-0.30 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( 2.856 7.313 8.565) 11.619 1.559 ( 0.530 6.391 8.973) 11.029 1.711 ( -4.969 -1.185 -2.730) 5.792 1.860 ( 0.337 -2.667 0.031) 2.689 1.968 ( 6.208 -1.149 -1.581) 6.508 2.096 ( 4.942 3.722 -0.543) 6.211 2.288 ( -0.490 -0.215 3.174) 3.219 2.336 ( 8.229 0.060 -2.505) 8.602 2.462 ( 1.934 6.619 1.485) 7.054 2.491 ( -3.946 -2.262 5.134) 6.859 2.544 ( 3.281 8.262 0.720) 8.919 2.688 ( 5.600 -0.106 -4.420) 7.135 2.783 ( -4.157 -3.675 -2.607) 6.131 2.816 ( 5.263 1.860 3.238) 6.454 3.000 ( -0.441 -2.296 5.099) 5.610 3.457 ( 8.392 1.768 -9.665) 12.922 3.635 ( 2.662 -0.065 5.256) 5.893 3.818 ( -10.581 -3.765 8.011) 13.795 3.891 ( -1.808 2.123 -8.144) 8.608 4.530 ( -1.326 -1.486 3.741) 4.238 4.795 ( 6.790 0.717 1.466) 6.983 4.893 ( 7.404 -0.022 -5.916) 9.477 5.106 ( 2.382 -5.053 -2.901) 6.295 5.162 ( -0.148 -5.261 -3.662) 6.412 5.648 ( -6.917 -1.945 2.327) 7.552 5.933 ( 8.668 -2.128 3.076) 9.441 6.274 ( -0.108 1.128 1.868) 2.185 6.471 ( -4.057 -3.153 -4.931) 7.122 6.568 ( 0.069 -2.660 15.826) 16.048 7.081 ( -3.454 1.794 -9.762) 10.509 7.692 ( 6.956 -6.282 -1.853) 9.554 7.898 ( 9.664 3.560 -10.650) 14.815 8.947 ( -3.980 4.709 13.040) 14.425 9.388 ( -1.786 2.824 -7.454) 8.169 10.448 ( -8.147 -1.121 2.236) 8.522 10.632 ( -7.612 0.867 -2.597) 8.089 12.671 ( -3.244 -0.213 -3.054) 4.461 12.677 ( 2.447 -0.339 2.812) 3.743 14.773 ( 3.618 5.917 8.870) 11.260 14.938 ( 0.443 7.063 0.136) 7.078 15.206 ( -9.158 -5.808 0.084) 10.845 15.574 ( 1.158 -10.278 -7.342) 12.684 15.816 ( -5.956 0.535 6.417) 8.772 16.422 ( 5.955 -1.047 6.708) 9.031 16.794 ( 3.787 1.551 -7.926) 8.920 16.902 ( 13.017 -0.447 -16.019) 20.646 17.749 ( -7.912 2.167 13.504) 15.801 18.253 ( -1.560 -2.048 -1.278) 2.874======================= Grid point 257 (125/172) =======================q-point: (-0.20 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( 3.937 4.378 5.789) 8.257 1.534 ( 3.146 8.468 5.751) 10.709 1.649 ( -2.110 0.770 0.171) 2.253 1.889 ( -1.362 -5.475 0.120) 5.643 2.020 ( -0.095 1.061 1.320) 1.696 2.128 ( 4.305 5.249 -3.847) 7.802 2.265 ( -3.039 3.418 -3.244) 5.607 2.425 ( 2.331 0.536 0.481) 2.440 2.500 ( 4.176 0.208 6.427) 7.668 2.507 ( -1.105 3.787 -1.273) 4.146 2.545 ( 13.460 2.123 -2.057) 13.781 2.738 ( -0.040 -2.472 -1.365) 2.824 2.855 ( 6.345 2.184 2.406) 7.128 2.962 ( 6.616 -3.958 -0.403) 7.720 3.005 ( 0.864 -1.730 6.228) 6.521 3.534 ( 1.847 3.749 0.217) 4.185 3.650 ( 2.944 1.861 -5.550) 6.552 3.703 ( -5.165 0.115 0.695) 5.213 3.804 ( -4.413 -1.945 -4.768) 6.782 4.594 ( 6.394 -2.817 -0.244) 6.992 4.778 ( -2.265 1.628 -5.716) 6.360 5.084 ( 7.915 -2.943 4.974) 9.801 5.161 ( -2.299 -4.711 1.153) 5.367 5.265 ( 8.705 -2.861 0.349) 9.170 5.551 ( -6.060 -2.753 -2.443) 7.090 6.063 ( 3.424 -2.073 -1.592) 4.308 6.333 ( 6.385 -0.249 6.190) 8.896 6.464 ( 0.668 -3.122 -3.257) 4.561 6.647 ( 2.760 -1.356 16.128) 16.419 7.022 ( -0.188 1.306 -5.863) 6.010 7.833 ( 2.145 -6.914 -4.427) 8.485 8.008 ( 10.004 5.922 -12.861) 17.337 8.852 ( -4.218 4.388 13.749) 15.036 9.331 ( -0.033 1.932 -6.841) 7.109 10.287 ( -11.624 -1.394 0.432) 11.715 10.419 ( -14.967 1.033 -1.245) 15.054 12.616 ( -2.495 -0.591 -3.025) 3.966 12.734 ( 2.771 -0.381 3.853) 4.761 14.767 ( -0.105 5.145 3.273) 6.099 14.825 ( -3.540 8.325 -6.888) 11.370 15.087 ( -9.230 -3.370 2.483) 10.135 15.647 ( -4.075 -9.644 0.962) 10.513 15.780 ( 0.843 -1.070 1.362) 1.927 16.535 ( 4.350 -0.455 6.773) 8.063 16.857 ( 9.286 3.995 -6.310) 11.916 17.168 ( 15.632 -4.951 -11.800) 20.202 17.609 ( -6.472 4.196 11.230) 13.623 18.227 ( -4.106 -3.138 0.791) 5.228======================= Grid point 258 (126/172) =======================q-point: (-0.10 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.407 ( 2.122 3.356 2.710) 4.807 1.557 ( 5.829 6.200 3.932) 9.374 1.631 ( 1.830 2.490 2.109) 3.741 1.903 ( -3.388 -6.155 1.713) 7.231 1.997 ( 0.500 4.615 1.064) 4.762 2.133 ( 1.353 5.103 -6.188) 8.134 2.176 ( -2.169 -0.815 -2.191) 3.188 2.418 ( -2.435 3.673 -1.699) 4.723 2.468 ( 0.881 -0.563 -1.432) 1.773 2.557 ( -1.904 -3.299 2.691) 4.664 2.746 ( 5.486 -0.510 -1.078) 5.614 2.822 ( 7.090 0.266 -0.548) 7.116 2.926 ( 5.982 2.344 2.933) 7.063 2.936 ( -0.283 1.509 8.936) 9.067 3.154 ( 4.452 -3.308 -3.033) 6.322 3.448 ( -4.239 5.368 1.315) 6.965 3.555 ( -5.643 0.373 -10.799) 12.190 3.758 ( -1.521 -1.666 3.540) 4.198 3.884 ( 17.378 -0.528 -4.954) 18.078 4.691 ( 0.148 -0.778 -4.755) 4.821 4.819 ( 9.697 -2.621 -3.486) 10.632 5.036 ( -7.150 -1.259 2.428) 7.655 5.298 ( 3.217 0.570 10.651) 11.140 5.424 ( 6.239 -4.342 3.255) 8.268 5.519 ( 1.874 -4.164 -8.424) 9.582 6.064 ( -7.323 -4.229 -1.293) 8.555 6.432 ( 5.687 2.073 7.739) 9.825 6.550 ( 2.254 0.901 10.892) 11.159 6.757 ( 7.438 -2.994 1.704) 8.197 7.040 ( 5.424 0.266 -6.367) 8.369 7.840 ( -6.617 -4.319 -1.900) 8.127 8.069 ( 6.465 7.495 -12.128) 15.655 8.819 ( 1.563 1.249 10.348) 10.540 9.346 ( 4.715 0.354 -6.615) 8.131 10.067 ( -16.394 0.387 0.934) 16.425 10.139 ( -14.050 -0.622 -1.342) 14.128 12.583 ( -1.559 -0.829 -2.787) 3.299 12.793 ( 2.707 -0.308 4.299) 5.090 14.620 ( -5.737 9.123 -9.736) 14.524 14.749 ( -2.179 -0.467 -2.025) 3.011 14.973 ( -5.971 -0.268 4.671) 7.585 15.621 ( -6.022 -4.341 5.750) 9.390 15.841 ( 3.364 -2.678 -0.979) 4.410 16.605 ( 2.948 0.847 5.601) 6.386 17.007 ( 11.524 3.278 -2.052) 12.155 17.374 ( 2.009 -1.975 -1.556) 3.219 17.576 ( 7.016 -0.058 -0.882) 7.072 18.167 ( -6.443 -3.041 2.383) 7.513======================= Grid point 264 (127/172) =======================q-point: ( 0.50 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( 0.748 0.000 6.747) 6.788 1.596 ( -5.701 0.000 6.351) 8.534 1.785 ( -3.622 -0.000 -0.738) 3.696 1.798 ( 4.214 0.000 -0.968) 4.324 1.901 ( 2.814 0.000 2.066) 3.491 2.012 ( 3.440 0.000 2.574) 4.296 2.267 ( -2.556 0.000 7.766) 8.176 2.270 ( -3.675 -0.000 -0.239) 3.682 2.454 ( 3.994 0.000 -0.825) 4.078 2.518 ( 2.503 0.000 -0.770) 2.619 2.649 ( -4.272 0.000 -0.400) 4.290 2.761 ( 2.287 0.000 0.665) 2.382 2.811 ( -3.531 0.000 -1.151) 3.714 2.840 ( -4.666 0.000 -3.494) 5.829 2.993 ( -1.008 0.000 3.862) 3.991 3.295 ( 9.529 0.000 -14.203) 17.104 3.550 ( 4.986 0.000 12.764) 13.703 3.921 ( 1.647 0.000 -4.331) 4.634 3.924 ( -10.802 -0.000 13.215) 17.069 4.493 ( 7.666 0.000 5.304) 9.322 4.668 ( 5.891 -0.000 0.103) 5.892 4.747 ( 6.440 0.000 -12.733) 14.269 5.078 ( -2.443 0.000 -4.113) 4.783 5.142 ( -7.204 0.000 -2.938) 7.780 5.713 ( 10.088 0.000 3.687) 10.741 5.729 ( -6.066 -0.000 5.567) 8.233 6.262 ( 4.447 0.000 2.416) 5.061 6.542 ( -5.913 0.000 13.076) 14.351 6.607 ( -14.310 0.000 -9.788) 17.337 7.233 ( -7.517 0.000 -14.746) 16.551 7.472 ( 7.573 0.000 3.900) 8.518 7.808 ( 7.543 0.000 -8.524) 11.382 9.035 ( -0.778 0.000 11.595) 11.621 9.470 ( -0.197 0.000 -7.754) 7.757 10.516 ( -1.692 0.000 3.637) 4.011 10.692 ( 2.826 0.000 -3.549) 4.536 12.622 ( 2.608 0.000 2.074) 3.332 12.742 ( -3.940 0.000 -3.628) 5.356 14.762 ( 6.789 0.000 14.550) 16.056 14.948 ( 7.980 0.000 10.001) 12.795 15.204 ( -6.280 0.000 -3.675) 7.276 15.518 ( -5.557 0.000 -15.478) 16.446 15.956 ( -10.780 0.000 9.926) 14.654 16.300 ( 5.800 0.000 2.918) 6.493 16.753 ( 0.936 0.000 -6.200) 6.270 16.815 ( 4.550 -0.000 -18.123) 18.686 17.846 ( -4.453 0.000 13.443) 14.162 18.235 ( 1.515 0.000 -2.387) 2.827======================= Grid point 266 (128/172) =======================q-point: (-0.40 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.468 ( 0.669 5.286 6.196) 8.172 1.571 ( -0.699 -3.870 6.890) 7.934 1.699 ( -5.596 0.763 -3.199) 6.491 1.852 ( 1.837 0.144 0.331) 1.872 1.975 ( 5.548 1.568 1.721) 6.017 2.106 ( 4.872 -1.297 4.744) 6.923 2.285 ( 1.968 -0.310 6.251) 6.561 2.331 ( 10.728 -0.235 -3.351) 11.242 2.485 ( -3.390 0.929 1.622) 3.872 2.532 ( 0.041 1.431 0.164) 1.441 2.626 ( 7.148 0.950 -1.793) 7.431 2.722 ( -4.268 1.107 -5.217) 6.831 2.753 ( -2.155 1.677 -1.287) 3.019 2.838 ( 3.671 -0.946 2.436) 4.506 3.003 ( 1.835 2.707 4.841) 5.842 3.432 ( 7.470 -3.114 -12.719) 15.076 3.632 ( 2.331 0.259 10.402) 10.663 3.788 ( -7.570 -0.268 8.849) 11.648 3.922 ( -1.623 0.971 -8.358) 8.569 4.510 ( -2.393 -0.618 3.409) 4.210 4.801 ( 8.385 0.106 2.324) 8.701 4.915 ( 11.438 1.789 -10.373) 15.544 5.021 ( -3.298 -3.660 -3.583) 6.092 5.090 ( 0.691 -2.324 -1.114) 2.668 5.622 ( -7.190 -0.755 1.974) 7.494 5.904 ( 9.789 -0.921 3.555) 10.455 6.307 ( 0.448 2.055 4.323) 4.807 6.408 ( -5.348 -3.118 -10.304) 12.020 6.540 ( 0.395 -0.675 21.184) 21.198 7.106 ( -3.824 0.807 -10.375) 11.086 7.611 ( 6.679 -2.394 -1.304) 7.214 7.944 ( 10.822 1.333 -12.002) 16.215 9.007 ( -4.128 1.803 12.475) 13.263 9.424 ( -2.422 1.080 -7.479) 7.935 10.433 ( -8.347 -0.429 2.336) 8.679 10.643 ( -7.418 0.318 -3.131) 8.058 12.669 ( -3.464 -0.017 -3.360) 4.826 12.673 ( 2.572 -0.123 2.893) 3.873 14.867 ( 3.675 3.757 12.324) 13.398 15.047 ( -0.598 4.020 2.812) 4.942 15.118 ( -2.180 -3.058 3.601) 5.203 15.420 ( -3.890 -5.838 -15.914) 17.392 15.822 ( -6.179 0.165 6.600) 9.043 16.408 ( 5.553 -0.408 6.393) 8.477 16.813 ( 7.116 0.515 -6.404) 9.587 16.896 ( 9.185 -0.164 -17.179) 19.481 17.777 ( -6.201 0.843 12.959) 14.391 18.225 ( -2.419 -0.885 -1.269) 2.871======================= Grid point 267 (129/172) =======================q-point: (-0.30 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.455 ( 1.535 3.917 4.035) 5.829 1.599 ( -4.358 -1.036 -2.974) 5.376 1.620 ( 0.804 -2.868 6.438) 7.093 1.866 ( 0.850 1.694 0.673) 2.012 2.017 ( -0.515 1.332 3.503) 3.783 2.204 ( 4.855 0.738 2.642) 5.577 2.329 ( -0.201 3.744 -3.576) 5.181 2.409 ( 0.590 -1.731 4.827) 5.161 2.486 ( 0.860 2.173 2.730) 3.593 2.565 ( 2.448 -0.745 -5.446) 6.017 2.619 ( 6.121 3.537 -3.742) 7.998 2.732 ( 2.027 1.989 -1.999) 3.473 2.877 ( 15.803 -2.149 -1.542) 16.023 2.909 ( 3.112 0.008 3.454) 4.649 3.006 ( -0.429 2.352 5.583) 6.074 3.541 ( 2.644 -3.071 -5.919) 7.173 3.669 ( 0.249 1.223 5.656) 5.792 3.716 ( 0.235 1.462 4.910) 5.128 3.795 ( -8.085 0.266 -9.656) 12.597 4.562 ( 7.591 -0.730 -1.422) 7.757 4.806 ( -4.402 1.255 -7.282) 8.601 5.039 ( 8.363 -1.844 4.740) 9.788 5.078 ( -2.034 -3.981 -0.438) 4.492 5.209 ( 10.941 -2.908 -1.305) 11.396 5.515 ( -6.178 -1.358 -0.507) 6.345 6.033 ( 2.187 -1.159 -0.134) 2.479 6.337 ( 6.510 0.670 3.955) 7.647 6.404 ( 1.686 -3.162 -5.314) 6.409 6.634 ( 4.241 -0.270 22.765) 23.158 7.044 ( -0.790 1.038 -5.672) 5.820 7.727 ( 3.332 -4.391 -5.001) 7.443 8.093 ( 11.218 3.406 -14.177) 18.397 8.918 ( -5.992 2.758 13.547) 15.067 9.360 ( -1.403 1.246 -6.827) 7.080 10.265 ( -11.418 -0.899 0.230) 11.456 10.433 ( -15.228 0.575 -1.963) 15.365 12.609 ( -2.660 -0.242 -3.160) 4.138 12.729 ( 2.849 -0.190 3.779) 4.736 14.846 ( -2.903 4.242 2.695) 5.804 14.978 ( -3.197 3.288 0.678) 4.636 15.049 ( -5.523 3.971 -1.029) 6.880 15.450 ( -1.917 -11.817 -1.523) 12.067 15.774 ( -0.270 -0.049 2.385) 2.400 16.519 ( 4.776 -0.920 7.335) 8.801 16.930 ( 10.456 3.893 -7.575) 13.486 17.090 ( 13.433 -3.765 -11.698) 18.206 17.671 ( -6.380 2.538 11.236) 13.168 18.175 ( -4.591 -2.330 0.157) 5.151======================= Grid point 268 (130/172) =======================q-point: (-0.20 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( 1.393 2.439 0.297) 2.825 1.569 ( -0.711 -2.713 -0.545) 2.857 1.672 ( 1.227 -1.919 6.393) 6.787 1.857 ( -0.014 2.303 1.394) 2.692 1.981 ( -3.156 -1.771 3.311) 4.905 2.226 ( -3.949 3.938 -1.634) 5.812 2.256 ( 3.830 6.154 -3.285) 7.958 2.460 ( -3.494 0.013 -3.836) 5.188 2.469 ( 0.759 1.524 1.734) 2.430 2.509 ( 0.197 -1.538 0.375) 1.595 2.751 ( 1.225 0.870 -0.189) 1.514 2.836 ( 13.003 1.233 -2.730) 13.344 2.948 ( -0.219 0.095 7.292) 7.296 2.977 ( 1.686 2.901 2.105) 3.961 3.110 ( 7.813 -1.330 -2.276) 8.246 3.520 ( -3.243 2.279 0.448) 3.988 3.569 ( -7.084 1.088 -10.953) 13.090 3.730 ( -0.038 -1.087 5.932) 6.031 3.869 ( 14.642 -0.954 -2.147) 14.830 4.686 ( 1.883 0.421 -5.355) 5.692 4.784 ( 7.790 -1.330 -5.195) 9.458 5.001 ( -5.073 -2.348 1.346) 5.750 5.260 ( 7.476 -3.313 7.565) 11.140 5.388 ( 6.890 -1.326 1.629) 7.203 5.452 ( -0.892 -2.557 -3.867) 4.721 5.994 ( -8.234 -3.314 -0.423) 8.886 6.464 ( 6.686 1.433 6.831) 9.665 6.535 ( 9.476 -2.083 -0.419) 9.712 6.747 ( 4.981 1.375 13.925) 14.853 7.041 ( 2.615 -0.182 -3.422) 4.311 7.760 ( -3.431 -4.136 -4.563) 7.050 8.189 ( 6.988 5.580 -13.818) 16.459 8.842 ( -2.270 1.221 12.014) 12.287 9.354 ( 3.507 0.431 -6.425) 7.333 10.070 ( -12.770 -0.101 -0.763) 12.793 10.130 ( -17.303 -0.311 -0.905) 17.329 12.570 ( -1.623 -0.555 -2.732) 3.226 12.788 ( 2.838 -0.215 4.157) 5.038 14.752 ( -4.670 0.860 -2.276) 5.266 14.801 ( -7.004 10.435 -12.051) 17.412 14.961 ( -4.772 -0.927 8.426) 9.727 15.503 ( -3.126 -8.373 5.727) 10.615 15.812 ( 3.595 -0.672 -0.629) 3.711 16.605 ( 2.510 -0.691 6.949) 7.421 17.079 ( 12.160 4.537 -5.274) 14.009 17.317 ( 8.533 -3.604 -7.007) 11.614 17.595 ( -0.332 1.342 6.345) 6.493 18.112 ( -5.672 -2.857 1.429) 6.510======================= Grid point 269 (131/172) =======================q-point: (-0.10 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( 1.235 2.097 -1.536) 2.878 1.601 ( 0.410 -3.437 1.469) 3.761 1.729 ( 2.217 -2.124 5.359) 6.176 1.836 ( -0.488 1.292 3.339) 3.613 1.979 ( -1.275 -4.778 0.904) 5.028 2.114 ( -4.003 4.055 -2.930) 6.408 2.232 ( 1.090 7.060 -3.903) 8.140 2.365 ( -3.998 1.256 -2.118) 4.695 2.473 ( -4.519 3.101 -0.086) 5.481 2.506 ( 1.706 -0.989 2.838) 3.456 2.714 ( -3.381 -0.292 1.113) 3.571 2.970 ( 3.259 -0.630 3.067) 4.519 2.973 ( 2.967 1.074 4.832) 5.771 3.069 ( 7.832 -0.108 -4.377) 8.973 3.192 ( 3.238 -0.634 -5.087) 6.063 3.410 ( -5.126 3.031 -5.257) 7.944 3.464 ( -2.630 1.062 -5.132) 5.864 3.762 ( 1.392 0.029 7.428) 7.557 4.111 ( 8.861 -2.651 -5.551) 10.787 4.717 ( 4.255 0.623 -1.969) 4.730 4.852 ( -2.853 -2.398 -0.523) 3.763 5.061 ( 10.675 -0.216 -1.610) 10.798 5.307 ( -2.709 1.860 3.947) 5.136 5.472 ( 3.005 -3.219 3.713) 5.760 5.586 ( 8.963 -3.861 -4.336) 10.679 5.837 ( -12.215 -3.232 0.504) 12.645 6.549 ( -5.672 3.223 18.203) 19.336 6.609 ( 5.947 3.864 4.983) 8.668 6.877 ( 7.355 -1.717 1.710) 7.744 7.161 ( 11.824 -3.264 -12.344) 17.402 7.684 ( -6.710 -2.037 2.040) 7.303 8.174 ( 0.582 6.342 -11.201) 12.885 8.885 ( 4.609 -1.814 5.619) 7.490 9.443 ( 6.958 -0.020 -5.013) 8.576 9.759 ( -18.498 0.906 2.034) 18.631 9.940 ( -7.818 -0.801 -2.452) 8.233 12.550 ( -0.893 -0.710 -2.276) 2.546 12.843 ( 2.416 -0.159 4.086) 4.750 14.564 ( -7.349 7.941 -11.329) 15.666 14.671 ( -3.978 -0.916 -3.263) 5.226 14.924 ( -1.567 -0.952 6.338) 6.598 15.523 ( -2.312 -4.335 8.020) 9.405 15.886 ( 3.779 -1.058 -2.307) 4.552 16.645 ( -0.018 -0.710 6.566) 6.604 17.214 ( 7.854 4.642 -2.004) 9.341 17.382 ( 0.942 0.421 -0.607) 1.197 17.686 ( 6.387 -3.069 -2.212) 7.424 18.041 ( -4.644 -1.468 1.843) 5.208======================= Grid point 276 (132/172) =======================q-point: ( 0.60 -0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( -0.628 -0.000 2.392) 2.473 1.551 ( -0.540 -0.000 4.629) 4.660 1.605 ( -3.690 -0.000 -1.659) 4.045 1.883 ( 1.316 0.000 0.613) 1.451 2.047 ( -0.612 -0.000 4.425) 4.467 2.194 ( 5.216 0.000 6.126) 8.045 2.361 ( 4.930 0.000 0.695) 4.978 2.406 ( -3.417 -0.000 2.694) 4.351 2.510 ( 0.936 0.000 1.904) 2.121 2.545 ( -0.603 -0.000 -6.837) 6.864 2.653 ( 8.408 0.000 -3.749) 9.206 2.756 ( 1.345 0.000 -4.006) 4.226 2.851 ( 14.663 0.000 -0.414) 14.669 2.903 ( 3.029 0.000 4.022) 5.035 3.050 ( 0.822 0.000 2.343) 2.483 3.495 ( 3.966 0.000 -5.212) 6.549 3.685 ( 1.703 0.000 9.134) 9.291 3.734 ( 0.371 0.000 4.238) 4.255 3.797 ( -10.427 -0.000 -10.483) 14.786 4.558 ( 8.684 0.000 -2.159) 8.949 4.818 ( -5.973 -0.000 -7.696) 9.742 5.024 ( 9.352 0.000 8.465) 12.614 5.036 ( -2.651 -0.000 -5.136) 5.780 5.180 ( 11.858 0.000 -1.413) 11.942 5.502 ( -5.941 -0.000 -0.051) 5.941 6.023 ( 1.802 0.000 0.999) 2.060 6.359 ( 5.102 0.000 -13.133) 14.089 6.359 ( 3.367 0.000 10.292) 10.829 6.632 ( 4.939 0.000 24.487) 24.980 7.054 ( -1.122 -0.000 -5.479) 5.592 7.686 ( 3.708 0.000 -5.288) 6.458 8.125 ( 11.653 0.000 -14.628) 18.702 8.944 ( -6.628 -0.000 13.422) 14.969 9.372 ( -1.909 -0.000 -6.853) 7.114 10.257 ( -11.376 -0.000 0.173) 11.378 10.438 ( -15.314 -0.000 -2.214) 15.473 12.607 ( -2.739 -0.000 -3.221) 4.228 12.727 ( 2.869 0.000 3.764) 4.733 14.908 ( -8.249 -0.000 -4.865) 9.577 14.945 ( -0.131 -0.000 13.103) 13.103 15.233 ( 4.441 0.000 13.820) 14.516 15.233 ( -8.527 -0.000 -20.591) 22.286 15.774 ( -0.484 -0.000 2.569) 2.615 16.510 ( 4.773 0.000 7.272) 8.699 16.979 ( 11.979 0.000 -6.133) 13.458 17.043 ( 11.791 0.000 -13.357) 17.817 17.695 ( -6.377 -0.000 11.319) 12.992 18.153 ( -4.787 -0.000 -0.143) 4.789======================= Grid point 278 (133/172) =======================q-point: (-0.30 0.60 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( -0.669 1.245 -0.687) 1.571 1.513 ( -2.230 -2.312 -0.028) 3.212 1.617 ( 0.934 -2.205 4.550) 5.141 1.894 ( 0.093 0.708 1.145) 1.349 1.982 ( -5.676 0.966 5.208) 7.763 2.277 ( 1.516 1.441 3.429) 4.017 2.332 ( 0.002 2.574 -3.346) 4.222 2.444 ( -5.621 -1.336 -5.097) 7.704 2.495 ( 4.579 0.801 0.286) 4.657 2.505 ( 1.799 0.585 2.606) 3.220 2.765 ( -0.178 0.484 0.293) 0.593 2.850 ( 7.245 0.172 -4.321) 8.438 2.954 ( 4.533 0.687 4.117) 6.162 3.006 ( 1.463 0.061 -1.739) 2.274 3.112 ( 7.531 1.042 -0.111) 7.603 3.531 ( -0.375 -0.358 1.592) 1.674 3.586 ( -9.350 0.565 -11.866) 15.117 3.724 ( 1.489 0.110 7.499) 7.646 3.855 ( 12.330 -0.477 0.088) 12.339 4.707 ( -0.150 1.550 -6.248) 6.440 4.761 ( 9.773 -1.363 -6.018) 11.558 4.965 ( -4.107 -1.302 1.065) 4.439 5.219 ( 9.640 -0.998 8.464) 12.867 5.348 ( 7.431 -1.960 -8.143) 11.197 5.438 ( -1.577 0.110 4.690) 4.949 5.952 ( -9.348 -1.274 0.702) 9.460 6.483 ( 8.691 0.590 -0.460) 8.723 6.501 ( 10.508 -1.262 1.499) 10.689 6.776 ( 6.601 1.157 19.292) 20.423 7.036 ( -0.341 -0.281 -1.565) 1.626 7.705 ( -1.454 -1.678 -6.478) 6.847 8.259 ( 7.440 2.063 -14.796) 16.689 8.859 ( -4.701 0.502 12.761) 13.609 9.360 ( 2.783 0.188 -6.432) 7.010 10.066 ( -10.324 -0.197 -1.839) 10.488 10.128 ( -19.570 -0.018 -0.528) 19.577 12.564 ( -1.738 -0.195 -2.757) 3.265 12.785 ( 2.898 -0.074 4.088) 5.012 14.766 ( -6.425 0.594 -4.154) 7.674 14.939 ( -3.271 0.090 9.576) 10.120 14.985 ( -9.829 7.084 -14.783) 19.114 15.349 ( 0.501 -7.156 10.212) 12.480 15.807 ( 3.635 -0.060 -0.274) 3.646 16.591 ( 2.454 -0.552 7.197) 7.624 17.158 ( 12.139 3.625 -6.528) 14.252 17.256 ( 11.967 -2.923 -8.870) 15.180 17.611 ( -4.585 0.411 9.076) 10.177 18.074 ( -4.697 -1.141 0.683) 4.882======================= Grid point 279 (134/172) =======================q-point: (-0.20 -0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 304Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( -1.218 -1.999 -1.051) 2.566 1.528 ( 0.029 -2.302 0.165) 2.308 1.662 ( 0.368 -3.189 4.867) 5.830 1.871 ( -2.422 0.811 3.514) 4.344 1.909 ( -3.436 -2.320 1.523) 4.417 2.203 ( -3.463 5.241 -2.664) 6.823 2.341 ( 1.541 3.531 -1.328) 4.075 2.364 ( -3.537 -0.521 -3.120) 4.746 2.504 ( 1.138 1.101 3.490) 3.832 2.566 ( 1.975 5.772 -1.745) 6.345 2.710 ( -4.756 0.144 2.722) 5.482 2.879 ( -2.394 -6.308 4.121) 7.906 3.037 ( 4.379 2.811 -2.245) 5.667 3.078 ( 8.109 1.423 -4.133) 9.212 3.184 ( 2.539 -0.591 -2.768) 3.802 3.440 ( -4.692 0.624 -12.047) 12.944 3.494 ( -3.171 1.757 2.511) 4.410 3.766 ( 1.521 0.322 8.743) 8.880 4.068 ( 8.045 -1.886 -5.226) 9.777 4.728 ( 5.554 0.551 -1.888) 5.892 4.817 ( -3.615 -1.220 0.637) 3.868 5.050 ( 11.447 -0.953 -3.596) 12.036 5.338 ( 2.851 2.194 -0.237) 3.605 5.450 ( 1.447 -0.138 7.850) 7.984 5.505 ( 9.191 -4.571 -4.107) 11.057 5.781 ( -11.112 -2.706 1.164) 11.496 6.588 ( -0.070 1.549 10.475) 10.589 6.666 ( 6.351 1.429 8.246) 10.506 6.886 ( 6.233 3.235 0.651) 7.052 7.088 ( 6.632 -4.912 -4.086) 9.209 7.652 ( -4.275 -1.398 -1.687) 4.804 8.270 ( 0.024 3.990 -13.039) 13.636 8.856 ( 2.026 -1.291 7.713) 8.078 9.444 ( 7.375 0.088 -5.346) 9.109 9.773 ( -19.145 0.592 1.680) 19.228 9.925 ( -6.667 -0.728 -2.773) 7.258 12.539 ( -0.917 -0.473 -2.178) 2.410 12.841 ( 2.536 -0.086 3.941) 4.687 14.658 ( -5.262 0.497 -5.343) 7.515 14.715 ( -8.902 6.948 -11.799) 16.332 14.906 ( -3.052 -0.849 8.435) 9.010 15.425 ( -0.306 -5.733 9.482) 11.084 15.879 ( 4.314 0.047 -1.692) 4.634 16.627 ( -0.702 -1.030 6.955) 7.066 17.302 ( 9.237 4.441 -5.304) 11.540 17.389 ( 2.789 0.955 -2.317) 3.750 17.616 ( 2.100 -4.574 2.538) 5.636 18.026 ( -1.180 -0.301 0.632) 1.372======================= Grid point 280 (135/172) =======================q-point: (-0.10 -0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.475 ( -0.575 -1.267 -2.580) 2.931 1.536 ( -3.068 -5.623 2.832) 7.003 1.712 ( 0.793 -4.364 3.619) 5.725 1.848 ( -1.273 -1.885 3.913) 4.526 1.887 ( -3.762 -4.718 0.325) 6.043 2.096 ( -2.303 4.555 -2.433) 5.654 2.276 ( -1.799 6.853 -1.043) 7.161 2.335 ( -0.569 1.047 -1.671) 2.052 2.432 ( -5.578 7.271 3.567) 9.834 2.542 ( 1.735 0.832 1.311) 2.328 2.680 ( -0.862 -1.522 0.396) 1.794 2.925 ( -0.324 -6.342 1.299) 6.482 3.047 ( -0.112 3.000 1.760) 3.480 3.194 ( 7.403 0.870 -7.914) 10.871 3.235 ( 3.436 0.442 -3.352) 4.820 3.340 ( -3.961 2.250 -4.724) 6.562 3.427 ( -2.411 -0.157 -4.199) 4.844 3.796 ( -0.234 -0.233 8.771) 8.777 4.117 ( -2.023 -2.899 -7.331) 8.138 4.732 ( -3.967 0.218 4.710) 6.162 4.818 ( -2.217 -0.894 -0.244) 2.402 5.231 ( 6.946 -0.806 -5.560) 8.934 5.326 ( 2.348 5.047 0.598) 5.599 5.505 ( 3.098 -0.376 4.357) 5.360 5.665 ( 1.136 -1.497 -2.051) 2.782 5.707 ( 4.719 -3.156 0.272) 5.683 6.417 ( -16.319 5.424 19.404) 25.928 6.758 ( 5.865 2.644 -2.584) 6.933 6.952 ( 1.518 -1.011 8.817) 9.004 7.320 ( 14.153 -6.864 -17.453) 23.495 7.616 ( -0.642 0.115 5.685) 5.722 8.153 ( -6.003 4.410 -10.799) 13.119 8.966 ( 6.689 -3.260 0.146) 7.443 9.365 ( -17.414 0.754 6.047) 18.450 9.682 ( 10.519 0.297 -4.695) 11.523 9.851 ( -1.314 0.228 -1.581) 2.069 12.530 ( -0.372 -0.589 -1.581) 1.728 12.886 ( 1.683 -0.005 3.293) 3.698 14.472 ( -7.348 4.963 -10.283) 13.578 14.610 ( -2.011 0.258 -1.318) 2.418 14.906 ( 0.112 -3.011 4.799) 5.666 15.488 ( 0.690 -4.117 8.566) 9.529 15.935 ( 2.719 0.389 -2.831) 3.945 16.612 ( -3.974 -1.763 7.021) 8.258 17.326 ( -0.228 5.332 0.676) 5.379 17.420 ( 2.693 1.086 -3.758) 4.749 17.683 ( -1.335 -5.788 -0.485) 5.960 18.061 ( 6.404 2.782 -0.801) 7.028======================= Grid point 288 (136/172) =======================q-point: (-0.30 -0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.434 ( -3.972 -0.000 1.236) 4.160 1.518 ( 1.501 0.000 -2.021) 2.517 1.634 ( 0.859 0.000 4.741) 4.818 1.870 ( -3.655 -0.000 1.870) 4.106 1.893 ( -5.034 -0.000 3.111) 5.918 2.267 ( -4.649 -0.000 -1.944) 5.039 2.328 ( -0.144 -0.000 -3.128) 3.132 2.390 ( 0.835 0.000 -0.935) 1.254 2.517 ( 1.032 0.000 3.394) 3.548 2.636 ( 8.225 0.000 -3.550) 8.958 2.726 ( -4.781 -0.000 4.454) 6.535 2.790 ( -8.912 -0.000 3.885) 9.721 3.058 ( 5.676 0.000 -8.200) 9.973 3.105 ( 7.901 0.000 -1.310) 8.009 3.173 ( 0.797 0.000 -1.054) 1.322 3.445 ( -4.286 -0.000 -12.486) 13.201 3.511 ( -3.165 -0.000 3.882) 5.009 3.769 ( 1.331 0.000 8.806) 8.906 4.050 ( 7.887 0.000 -5.072) 9.378 4.734 ( 6.058 0.000 -1.907) 6.351 4.807 ( -4.290 -0.000 1.392) 4.510 5.038 ( 11.593 0.000 -4.391) 12.397 5.395 ( 8.884 0.000 7.361) 11.537 5.402 ( 3.621 0.000 -9.474) 10.143 5.475 ( 3.308 0.000 5.648) 6.545 5.754 ( -11.080 -0.000 1.380) 11.166 6.604 ( 0.560 0.000 8.130) 8.150 6.672 ( 9.030 0.000 7.014) 11.435 6.958 ( 11.830 0.000 -0.256) 11.833 7.007 ( -2.495 -0.000 1.718) 3.029 7.639 ( -3.195 -0.000 -3.389) 4.657 8.307 ( 0.019 0.000 -13.911) 13.911 8.843 ( 0.869 0.000 8.634) 8.678 9.445 ( 7.545 0.000 -5.498) 9.336 9.779 ( -19.461 -0.000 1.557) 19.523 9.918 ( -6.177 -0.000 -2.901) 6.824 12.535 ( -0.957 -0.000 -2.159) 2.362 12.840 ( 2.583 0.000 3.884) 4.664 14.662 ( -4.898 -0.000 -4.072) 6.370 14.791 ( -11.067 -0.000 -15.572) 19.104 14.898 ( -3.618 -0.000 9.455) 10.124 15.362 ( 1.292 0.000 11.466) 11.539 15.880 ( 4.517 0.000 -1.412) 4.732 16.616 ( -0.858 -0.000 6.983) 7.035 17.341 ( 8.383 0.000 -6.323) 10.500 17.417 ( 8.168 0.000 -6.586) 10.492 17.556 ( -3.177 -0.000 7.767) 8.392 18.025 ( 0.338 0.000 0.171) 0.379======================= Grid point 289 (137/172) =======================q-point: (-0.20 -0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.376 ( -5.412 -4.465 3.720) 7.942 1.526 ( -0.852 0.612 -3.589) 3.739 1.663 ( 1.112 -1.053 4.567) 4.817 1.793 ( -5.739 -2.523 3.090) 6.989 1.842 ( -1.823 -1.016 0.510) 2.149 2.168 ( -4.302 2.636 -1.959) 5.412 2.322 ( -0.800 -0.641 -2.586) 2.782 2.392 ( 0.457 3.549 0.301) 3.591 2.541 ( 0.324 2.108 1.375) 2.538 2.582 ( -6.128 5.364 4.912) 9.511 2.655 ( -4.073 -1.646 2.301) 4.959 2.807 ( 5.019 -5.659 -2.419) 7.942 3.095 ( -0.487 1.827 -1.994) 2.748 3.204 ( 5.247 0.313 -3.369) 6.243 3.233 ( 7.448 -0.303 -7.377) 10.487 3.367 ( -3.229 0.571 -6.327) 7.126 3.431 ( -5.663 0.419 -0.687) 5.720 3.792 ( -1.098 -0.151 9.085) 9.152 4.081 ( -2.224 -1.055 -6.998) 7.419 4.732 ( -4.581 -0.070 5.490) 7.151 4.809 ( -1.702 -0.151 0.483) 1.776 5.215 ( 8.938 -0.664 -6.445) 11.039 5.399 ( -0.876 2.531 0.931) 2.836 5.533 ( 7.467 3.321 3.367) 8.839 5.612 ( 9.147 -4.499 -3.278) 10.707 5.658 ( 0.017 -1.364 2.692) 3.017 6.488 ( -14.844 2.127 17.473) 23.025 6.804 ( 5.422 1.655 -0.353) 5.680 6.953 ( -1.523 1.225 6.462) 6.751 7.201 ( 12.960 -5.093 -12.264) 18.556 7.620 ( 1.632 0.167 2.020) 2.602 8.214 ( -6.361 1.977 -12.873) 14.495 8.921 ( 5.687 -1.471 1.773) 6.136 9.375 ( -17.501 0.273 5.775) 18.431 9.688 ( 11.136 0.221 -4.854) 12.150 9.852 ( -0.624 -0.051 -1.914) 2.013 12.522 ( -0.343 -0.274 -1.466) 1.530 12.886 ( 1.818 0.010 3.159) 3.644 14.538 ( -8.341 1.898 -11.127) 14.035 14.629 ( -2.778 1.320 -2.106) 3.728 14.863 ( -2.487 -1.493 6.518) 7.135 15.422 ( 1.997 -2.385 9.474) 9.972 15.944 ( 3.181 0.356 -2.141) 3.851 16.587 ( -4.439 -0.804 7.014) 8.339 17.422 ( -1.580 3.490 1.210) 4.018 17.438 ( 3.430 2.396 -5.807) 7.157 17.573 ( -0.349 -5.826 0.895) 5.904 18.099 ( 8.508 1.186 -1.739) 8.765======================= Grid point 290 (138/172) =======================q-point: (-0.10 -0.30 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( -6.350 -10.486 5.205) 13.318 1.442 ( -7.315 -0.064 -0.110) 7.316 1.710 ( 1.423 -2.437 0.612) 2.888 1.770 ( -1.272 -4.598 2.768) 5.515 1.827 ( -1.739 -0.592 -0.305) 1.862 2.085 ( -1.860 1.223 0.792) 2.363 2.291 ( -2.754 2.437 -0.102) 3.679 2.324 ( -3.496 3.256 1.246) 4.938 2.433 ( -1.752 6.453 1.544) 6.863 2.593 ( 3.207 0.556 0.329) 3.271 2.618 ( -2.980 -2.512 2.466) 4.612 2.926 ( 4.902 -2.020 -4.048) 6.671 3.053 ( -1.652 2.259 0.070) 2.799 3.222 ( -7.543 0.342 1.031) 7.620 3.264 ( -1.251 2.147 -0.239) 2.496 3.331 ( 1.177 0.842 -7.613) 7.749 3.408 ( 6.410 -1.944 -7.829) 10.303 3.751 ( -6.716 -1.205 7.820) 10.379 4.008 ( -5.466 -2.364 -6.663) 8.937 4.664 ( -5.805 0.340 5.120) 7.747 4.699 ( -6.541 -0.394 1.092) 6.643 5.310 ( 1.968 3.221 -6.201) 7.259 5.347 ( -1.316 0.306 2.898) 3.197 5.626 ( 5.047 2.867 -1.025) 5.895 5.722 ( 3.842 -0.260 -0.782) 3.929 5.787 ( 5.838 0.471 4.090) 7.144 6.214 ( -13.566 2.724 15.737) 20.955 6.835 ( 3.025 1.168 -9.580) 10.114 6.967 ( -0.555 -1.158 11.726) 11.796 7.413 ( 6.988 -7.598 -13.315) 16.848 7.683 ( 5.352 2.140 3.376) 6.680 8.019 ( -10.474 3.171 -11.491) 15.868 9.045 ( 5.047 -2.716 -4.082) 7.036 9.093 ( -14.105 -0.113 8.841) 16.647 9.886 ( 9.539 1.592 -0.376) 9.678 9.923 ( 11.932 -0.071 -2.387) 12.168 12.522 ( 0.222 -0.401 -0.784) 0.908 12.912 ( 0.587 0.158 1.940) 2.033 14.372 ( -5.629 2.153 -7.442) 9.576 14.607 ( 0.953 1.366 1.680) 2.365 14.883 ( 0.584 -5.653 3.181) 6.513 15.508 ( 3.333 -2.455 8.301) 9.276 15.971 ( 1.239 1.007 -3.099) 3.486 16.505 ( -8.049 -1.826 7.469) 11.132 17.319 ( -5.432 4.199 2.126) 7.187 17.415 ( -5.160 -0.081 -1.088) 5.274 17.642 ( 4.595 -3.098 -5.165) 7.575 18.245 ( 10.260 3.854 -2.784) 11.308======================= Grid point 299 (139/172) =======================q-point: (-0.20 -0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 172Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.244 ( -8.182 -0.000 7.053) 10.802 1.443 ( -8.678 -0.000 -0.634) 8.701 1.704 ( 3.221 0.000 3.050) 4.436 1.709 ( -2.480 -0.000 0.150) 2.485 1.821 ( -0.369 -0.000 -0.822) 0.901 2.101 ( -4.407 -0.000 1.997) 4.839 2.286 ( -2.506 -0.000 -2.595) 3.608 2.382 ( -5.593 -0.000 3.364) 6.527 2.502 ( -2.507 -0.000 2.714) 3.695 2.587 ( -0.950 -0.000 1.375) 1.671 2.598 ( 2.868 0.000 0.632) 2.937 2.905 ( 7.337 0.000 -5.170) 8.975 3.077 ( -1.342 -0.000 -1.653) 2.129 3.220 ( -7.422 -0.000 0.451) 7.435 3.284 ( -2.303 -0.000 2.925) 3.723 3.346 ( -2.252 -0.000 -7.874) 8.190 3.383 ( 9.713 0.000 -9.617) 13.668 3.740 ( -7.362 -0.000 8.032) 10.896 3.987 ( -5.816 -0.000 -6.184) 8.490 4.671 ( -4.219 -0.000 8.082) 9.117 4.691 ( -7.643 -0.000 -1.142) 7.728 5.331 ( 6.081 0.000 -6.405) 8.832 5.359 ( -4.299 -0.000 3.515) 5.553 5.680 ( 4.726 0.000 -8.993) 10.159 5.689 ( 2.461 0.000 3.764) 4.497 5.793 ( 11.710 0.000 6.122) 13.214 6.243 ( -16.343 -0.000 16.574) 23.277 6.851 ( 1.500 0.000 -10.382) 10.489 6.954 ( -0.486 -0.000 11.887) 11.897 7.336 ( 7.080 0.000 -11.608) 13.597 7.703 ( 6.239 0.000 2.609) 6.763 8.051 ( -10.314 -0.000 -12.802) 16.439 9.017 ( 6.018 0.000 -4.721) 7.649 9.094 ( -15.534 -0.000 10.056) 18.505 9.907 ( 7.530 0.000 0.151) 7.532 9.916 ( 14.562 0.000 -3.375) 14.948 12.518 ( 0.274 0.000 -0.687) 0.740 12.913 ( 0.705 0.000 1.856) 1.986 14.394 ( -6.514 -0.000 -8.452) 10.671 14.627 ( 1.721 0.000 2.270) 2.849 14.823 ( -2.242 -0.000 4.302) 4.851 15.484 ( 4.213 0.000 8.617) 9.592 15.981 ( 1.388 0.000 -2.711) 3.046 16.488 ( -8.200 -0.000 7.371) 11.025 17.386 ( -6.991 -0.000 6.234) 9.367 17.387 ( -5.759 -0.000 -3.237) 6.606 17.612 ( 7.251 0.000 -7.041) 10.107 18.281 ( 11.230 0.000 -3.639) 11.805======================= Grid point 300 (140/172) =======================q-point: (-0.10 -0.20 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( -9.077 -7.543 9.633) 15.235 1.276 ( -10.525 -1.353 6.779) 12.592 1.668 ( -3.124 -1.578 -5.049) 6.144 1.751 ( -1.369 -0.663 -0.443) 1.584 1.849 ( 6.059 -0.484 -0.955) 6.153 2.046 ( -3.902 -1.901 7.782) 8.910 2.232 ( -3.464 0.042 -1.626) 3.827 2.269 ( -4.691 1.476 1.621) 5.178 2.461 ( -2.859 3.735 1.947) 5.091 2.606 ( 2.135 0.434 0.613) 2.264 2.655 ( 2.890 -0.108 1.056) 3.079 2.987 ( 1.379 0.090 -4.648) 4.850 3.000 ( -10.324 2.976 1.101) 10.800 3.074 ( -0.448 -1.447 -1.895) 2.426 3.290 ( 0.656 0.952 1.423) 1.833 3.300 ( -2.006 0.166 -4.029) 4.504 3.421 ( -11.525 -0.343 4.987) 12.562 3.642 ( 1.966 -1.855 -5.193) 5.854 3.893 ( -3.396 -1.413 -5.298) 6.450 4.602 ( -4.815 0.445 7.108) 8.597 4.645 ( 2.547 0.517 -1.864) 3.198 5.281 ( -4.227 1.948 1.908) 5.030 5.382 ( 0.537 1.514 -0.128) 1.611 5.661 ( -3.231 2.784 -1.183) 4.427 5.709 ( -2.897 -2.382 -4.080) 5.542 5.913 ( 2.489 5.464 9.539) 11.271 6.092 ( -3.420 -3.350 8.776) 9.996 6.873 ( 1.389 -0.315 -10.073) 10.173 6.964 ( 0.969 -0.360 5.894) 5.984 7.393 ( 0.206 -3.907 -13.347) 13.908 7.798 ( 2.190 2.627 3.116) 4.626 7.835 ( -8.219 1.302 -9.452) 12.593 8.895 ( -9.983 -0.143 12.635) 16.103 9.102 ( 4.426 -1.940 -8.653) 9.911 10.105 ( 15.178 1.115 0.748) 15.237 10.158 ( 13.736 0.184 -1.136) 13.784 12.529 ( 1.068 -0.158 0.082) 1.082 12.915 ( -0.698 0.245 0.277) 0.790 14.298 ( -2.729 0.309 -3.635) 4.556 14.682 ( 4.547 3.737 5.400) 7.988 14.835 ( 0.750 -8.000 2.333) 8.367 15.592 ( 5.922 -0.409 8.580) 10.434 15.983 ( 0.085 0.679 -3.510) 3.576 16.338 ( -11.293 -1.101 7.968) 13.865 17.217 ( -11.584 2.254 5.769) 13.136 17.279 ( -7.168 -1.006 -3.629) 8.097 17.747 ( 9.590 -0.310 -8.460) 12.792 18.436 ( 8.231 2.933 -5.127) 10.131======================= Grid point 310 (141/172) =======================q-point: (-0.10 -0.10 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 170Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.968 ( -9.046 -0.000 13.991) 16.661 1.114 ( -9.344 -0.000 13.918) 16.764 1.588 ( -3.155 -0.000 -8.359) 8.934 1.686 ( -4.503 -0.000 -5.091) 6.797 1.940 ( -9.934 -0.000 15.675) 18.558 1.994 ( 10.394 0.000 -1.779) 10.545 2.190 ( -1.024 -0.000 -2.153) 2.384 2.236 ( -0.317 -0.000 1.967) 1.992 2.349 ( -10.560 -0.000 2.426) 10.836 2.663 ( 2.283 0.000 0.371) 2.313 2.669 ( -1.135 -0.000 0.315) 1.178 2.879 ( -12.715 -0.000 -0.327) 12.719 2.931 ( 1.387 0.000 0.717) 1.561 3.106 ( 0.131 0.000 -2.720) 2.723 3.179 ( -8.052 -0.000 0.586) 8.073 3.241 ( -3.578 -0.000 0.962) 3.705 3.327 ( 2.243 0.000 1.890) 2.933 3.688 ( 2.380 0.000 -7.185) 7.569 3.897 ( 6.157 0.000 -0.471) 6.175 4.506 ( -6.827 -0.000 6.009) 9.095 4.791 ( 12.557 0.000 -4.675) 13.399 5.224 ( -4.172 -0.000 0.027) 4.172 5.363 ( -4.232 -0.000 6.824) 8.030 5.529 ( -13.729 -0.000 1.783) 13.844 5.645 ( -0.247 -0.000 -3.388) 3.397 5.983 ( -0.016 -0.000 7.551) 7.551 6.077 ( 3.474 0.000 -0.785) 3.562 6.791 ( -8.063 -0.000 3.594) 8.828 7.016 ( 2.011 0.000 -13.017) 13.171 7.307 ( -4.852 -0.000 -15.410) 16.155 7.702 ( -2.061 -0.000 -5.169) 5.564 7.869 ( 0.733 0.000 6.178) 6.221 8.786 ( -5.629 -0.000 13.510) 14.635 9.144 ( 3.662 0.000 -9.277) 9.974 10.375 ( 11.004 0.000 0.711) 11.027 10.400 ( 17.081 0.000 -1.323) 17.132 12.557 ( 2.067 0.000 0.998) 2.295 12.893 ( -1.815 -0.000 -1.152) 2.149 14.280 ( 1.153 0.000 0.338) 1.202 14.750 ( -2.817 -0.000 -0.312) 2.835 14.914 ( 16.289 0.000 11.379) 19.870 15.725 ( 7.095 0.000 9.877) 12.161 15.976 ( -0.265 -0.000 -3.986) 3.995 16.139 ( -12.412 -0.000 8.326) 14.946 16.988 ( -16.173 -0.000 5.317) 17.024 17.153 ( -6.337 -0.000 -7.119) 9.531 17.911 ( 11.050 0.000 -8.371) 13.862 18.523 ( 0.428 0.000 -7.871) 7.883======================= Grid point 311 (142/172) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 86Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( 0.764 0.000 -16.016) 16.034 1.204 ( -0.764 -0.000 16.016) 16.034 1.297 ( 1.733 0.000 -14.643) 14.745 1.297 ( -1.733 -0.000 14.643) 14.745 2.109 ( 4.868 0.000 -12.569) 13.479 2.109 ( -4.868 -0.000 12.569) 13.479 2.232 ( -0.923 -0.000 -0.168) 0.938 2.232 ( 0.923 0.000 0.168) 0.938 2.408 ( 8.791 0.000 -4.689) 9.964 2.408 ( -8.791 -0.000 4.689) 9.964 2.692 ( -0.863 -0.000 -11.340) 11.373 2.692 ( 0.863 0.000 11.340) 11.373 2.875 ( -4.989 -0.000 -0.089) 4.990 2.875 ( 4.989 0.000 0.089) 4.990 3.186 ( -1.303 -0.000 0.240) 1.324 3.186 ( 1.303 0.000 -0.240) 1.324 3.584 ( 0.332 0.000 -6.332) 6.340 3.584 ( -0.332 -0.000 6.332) 6.340 4.389 ( -13.400 -0.000 0.915) 13.431 4.389 ( 13.400 0.000 -0.915) 13.431 4.990 ( -5.092 -0.000 0.694) 5.139 4.990 ( 5.092 0.000 -0.694) 5.139 5.196 ( -6.681 -0.000 -1.178) 6.784 5.196 ( 6.681 0.000 1.178) 6.784 5.932 ( -8.067 -0.000 -1.700) 8.244 5.932 ( 8.067 0.000 1.700) 8.244 6.321 ( -8.089 -0.000 -10.486) 13.243 6.321 ( 8.089 0.000 10.486) 13.243 6.855 ( 1.993 0.000 -11.278) 11.453 6.855 ( -1.993 -0.000 11.278) 11.453 7.880 ( 7.981 0.000 -3.312) 8.641 7.880 ( -7.981 -0.000 3.312) 8.641 8.986 ( 2.818 0.000 -12.098) 12.422 8.986 ( -2.818 -0.000 12.098) 12.422 10.643 ( -0.015 -0.000 -2.801) 2.801 10.643 ( 0.015 0.000 2.801) 2.801 12.726 ( -3.544 -0.000 -3.391) 4.905 12.726 ( 3.544 0.000 3.391) 4.905 14.525 ( -5.753 -0.000 -4.412) 7.250 14.525 ( 5.753 0.000 4.412) 7.250 15.847 ( -10.328 -0.000 0.438) 10.338 15.847 ( 10.328 0.000 -0.438) 10.338 16.075 ( -5.549 -0.000 0.569) 5.579 16.075 ( 5.549 0.000 -0.569) 5.579 16.630 ( -3.251 -0.000 -6.348) 7.132 16.630 ( 3.251 0.000 6.348) 7.132 18.146 ( 13.594 0.000 -5.181) 14.548 18.146 ( -13.594 -0.000 5.181) 14.548======================= Grid point 313 (143/172) =======================q-point: ( 0.10 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.226 ( 2.838 -3.570 -11.522) 12.392 1.265 ( 2.919 -3.277 13.517) 14.212 1.354 ( 4.800 -3.024 -13.269) 14.431 1.393 ( 7.162 -3.897 9.866) 12.799 2.078 ( -1.998 -0.334 7.034) 7.320 2.154 ( -1.469 -0.540 -2.770) 3.181 2.160 ( -2.678 0.152 -3.492) 4.403 2.251 ( 5.528 -1.181 -2.205) 6.068 2.335 ( -0.464 1.316 -3.874) 4.117 2.582 ( 7.099 1.697 0.722) 7.334 2.661 ( 2.499 3.501 -4.533) 6.249 2.793 ( -3.216 0.392 0.191) 3.246 2.839 ( 13.482 -0.952 4.845) 14.358 2.934 ( 2.244 1.924 0.331) 2.974 3.150 ( -2.537 0.640 1.010) 2.805 3.215 ( 2.846 -0.289 -1.240) 3.118 3.545 ( -4.102 -0.700 -7.829) 8.866 3.583 ( -2.164 -2.675 5.546) 6.526 4.125 ( -15.829 -0.308 0.060) 15.832 4.540 ( 5.658 -0.320 -4.810) 7.433 4.882 ( -4.413 9.929 0.085) 10.866 5.079 ( 3.135 -8.692 6.022) 11.030 5.232 ( 11.791 6.469 -0.257) 13.451 5.321 ( 5.460 -1.752 1.844) 6.023 5.777 ( -8.920 0.375 -2.202) 9.195 6.037 ( 4.610 3.329 -2.000) 6.028 6.223 ( -0.645 -2.832 -10.053) 10.464 6.492 ( 7.595 -0.840 11.887) 14.131 6.873 ( 1.911 0.638 8.990) 9.213 6.908 ( 4.622 -1.495 -2.606) 5.513 7.734 ( -7.194 1.824 0.620) 7.447 7.972 ( 4.667 2.708 -5.027) 7.375 8.966 ( -3.326 -2.080 12.117) 12.736 9.018 ( 2.754 -1.469 -11.504) 11.920 10.565 ( -8.208 0.532 -0.086) 8.226 10.572 ( -8.244 0.265 1.315) 8.352 12.654 ( -3.549 0.468 -2.896) 4.605 12.786 ( 2.956 0.546 3.545) 4.648 14.431 ( -5.128 -2.287 -5.373) 7.772 14.640 ( 5.423 -1.901 3.285) 6.619 15.475 ( -23.429 1.316 -1.887) 23.542 15.868 ( -2.585 -0.924 5.462) 6.113 16.061 ( 1.356 8.194 -9.463) 12.591 16.196 ( 3.929 -6.544 -11.657) 13.934 16.765 ( 13.114 1.500 5.053) 14.134 16.785 ( 15.803 -0.511 1.584) 15.890 17.912 ( -14.606 -0.612 10.214) 17.833 18.325 ( 7.229 1.081 0.762) 7.349======================= Grid point 314 (144/172) =======================q-point: ( 0.20 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( 3.744 -4.166 -7.307) 9.207 1.395 ( 3.800 -5.566 7.833) 10.334 1.450 ( 4.613 -6.926 -6.543) 10.585 1.591 ( 8.570 -4.050 4.696) 10.578 2.001 ( -6.634 -1.632 -1.286) 6.951 2.140 ( -0.823 -0.162 2.974) 3.090 2.191 ( 1.678 -2.686 -2.656) 4.134 2.292 ( 4.840 1.472 -6.252) 8.042 2.398 ( 5.045 4.656 -4.059) 7.975 2.604 ( 3.823 4.060 1.749) 5.844 2.708 ( 0.960 -0.044 -2.888) 3.044 2.802 ( 4.725 -1.133 6.470) 8.091 2.893 ( -0.185 3.632 0.934) 3.755 3.049 ( -0.307 0.339 0.963) 1.066 3.185 ( 9.198 2.577 0.605) 9.572 3.309 ( 9.360 -3.716 -3.768) 10.752 3.444 ( -4.329 -0.033 -8.456) 9.500 3.574 ( -3.558 -4.141 5.971) 8.091 3.895 ( -9.702 -0.251 0.819) 9.740 4.642 ( 7.942 0.303 -5.304) 9.555 4.715 ( -5.147 5.575 -3.446) 8.334 5.212 ( 2.444 1.164 -1.659) 3.175 5.318 ( 3.887 -0.792 8.575) 9.448 5.472 ( 10.589 3.778 4.358) 12.058 5.624 ( -7.420 0.367 0.335) 7.437 6.044 ( 4.307 6.461 -9.113) 11.973 6.297 ( 5.916 -3.052 -10.769) 12.660 6.600 ( 0.202 -1.287 14.101) 14.161 6.943 ( 4.698 0.268 7.493) 8.848 7.006 ( 3.135 -2.607 8.604) 9.521 7.655 ( 0.843 0.333 -3.916) 4.019 7.967 ( -0.482 4.261 -5.508) 6.980 8.959 ( -2.734 -3.426 10.924) 11.771 9.068 ( 4.107 -1.560 -10.951) 11.799 10.358 ( -13.955 1.474 0.850) 14.058 10.383 ( -13.276 -0.100 -0.110) 13.277 12.591 ( -2.616 0.491 -2.270) 3.498 12.835 ( 2.687 0.604 3.395) 4.372 14.368 ( -4.098 -3.517 -5.701) 7.852 14.737 ( 2.892 -0.729 0.862) 3.105 15.128 ( -15.576 -2.527 -3.193) 16.100 15.823 ( -5.036 0.299 1.766) 5.346 15.943 ( -2.435 4.813 -4.428) 6.978 16.352 ( 9.697 -3.898 -8.223) 13.298 16.937 ( 8.801 1.437 10.351) 13.663 17.117 ( 19.674 2.619 -8.432) 21.564 17.715 ( -11.676 -2.170 10.980) 16.173 18.366 ( -0.749 2.803 3.292) 4.387======================= Grid point 315 (145/172) =======================q-point: ( 0.30 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.378 ( 2.588 -1.611 -2.826) 4.157 1.521 ( 3.161 -8.160 -0.855) 8.793 1.611 ( 5.870 -6.494 4.304) 9.755 1.759 ( 6.403 -4.460 -1.716) 7.990 1.933 ( -3.355 -4.336 -4.083) 6.836 2.078 ( -3.455 2.758 2.561) 5.109 2.239 ( 0.729 1.133 0.928) 1.636 2.332 ( 1.289 2.895 -5.405) 6.265 2.405 ( 2.972 3.858 -4.461) 6.604 2.617 ( -0.159 0.321 -0.515) 0.627 2.715 ( 0.630 0.277 -3.523) 3.590 2.877 ( 3.081 1.767 3.537) 5.012 2.950 ( 4.670 -1.469 3.816) 6.207 3.064 ( 3.503 -2.256 3.808) 5.644 3.202 ( -1.575 2.816 1.338) 3.493 3.349 ( -1.487 2.481 -6.401) 7.025 3.422 ( -7.301 -4.198 4.211) 9.416 3.723 ( 16.229 -1.851 -6.711) 17.659 3.840 ( 2.436 -1.622 3.288) 4.402 4.619 ( -0.121 2.387 -3.796) 4.486 4.765 ( 7.297 1.352 -6.399) 9.800 5.159 ( -2.953 3.376 4.546) 6.387 5.398 ( 2.044 3.446 -4.500) 6.025 5.513 ( -2.168 -2.142 10.915) 11.333 5.620 ( 5.964 3.660 3.309) 7.740 6.024 ( -0.529 5.508 -9.856) 11.303 6.390 ( 7.364 1.740 -14.478) 16.336 6.623 ( 0.000 -2.707 11.590) 11.902 7.039 ( 4.722 0.399 3.609) 5.957 7.082 ( -1.273 -4.090 19.860) 20.317 7.743 ( 7.865 -2.593 -5.843) 10.135 7.870 ( -4.586 3.968 -4.180) 7.366 8.974 ( -1.309 -3.127 8.314) 8.978 9.152 ( 7.137 -0.606 -10.393) 12.622 10.094 ( -14.604 1.362 0.031) 14.667 10.129 ( -15.364 0.201 0.347) 15.369 12.548 ( -1.474 0.307 -1.577) 2.181 12.880 ( 2.282 0.398 2.838) 3.664 14.329 ( -2.900 -3.362 -4.851) 6.576 14.717 ( -3.242 2.601 -3.665) 5.542 14.998 ( -4.922 -6.060 1.399) 7.931 15.711 ( -5.625 0.425 -1.448) 5.824 15.906 ( 0.990 3.000 0.930) 3.293 16.537 ( 8.803 -3.387 -5.991) 11.174 17.085 ( 8.024 2.112 7.900) 11.456 17.342 ( 10.921 4.150 -7.052) 13.647 17.609 ( -4.920 -3.941 7.463) 9.769 18.277 ( -6.126 3.792 2.981) 7.797======================= Grid point 316 (146/172) =======================q-point: ( 0.40 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.417 ( 1.192 -0.438 -0.272) 1.298 1.625 ( 2.018 -4.642 -0.621) 5.099 1.765 ( 4.679 -5.716 2.893) 7.933 1.881 ( 3.240 -2.098 -2.802) 4.770 1.945 ( 0.318 -5.981 -4.890) 7.732 2.019 ( -2.113 -0.579 3.497) 4.126 2.171 ( -1.698 8.743 0.394) 8.915 2.320 ( -1.561 -0.124 -0.791) 1.754 2.401 ( 2.782 3.735 -5.249) 7.017 2.567 ( -2.501 1.333 0.629) 2.903 2.729 ( -1.958 -0.994 -0.719) 2.311 2.959 ( 5.700 -5.113 -0.209) 7.660 3.026 ( 1.796 -2.123 1.274) 3.059 3.113 ( -2.045 1.641 5.186) 5.811 3.175 ( 2.396 4.453 1.723) 5.342 3.273 ( -2.853 3.327 -4.183) 6.059 3.375 ( -1.810 -4.734 0.752) 5.123 3.872 ( 3.603 -2.280 3.567) 5.560 4.003 ( 7.934 0.224 -5.949) 9.919 4.684 ( 8.959 0.005 -0.890) 9.003 4.817 ( 1.883 1.616 -5.919) 6.418 5.124 ( 1.314 2.077 5.197) 5.749 5.342 ( -2.890 2.636 -0.613) 3.960 5.542 ( 0.684 -0.238 3.342) 3.420 5.672 ( 2.508 2.646 2.437) 4.385 5.860 ( -10.455 1.917 -3.187) 11.097 6.522 ( 14.517 4.541 -15.426) 21.664 6.692 ( 1.869 -2.680 3.317) 4.656 7.081 ( -5.370 -1.746 17.374) 18.269 7.101 ( -0.439 -1.915 4.395) 4.814 7.763 ( -2.929 1.951 -1.809) 3.957 7.893 ( 6.394 -2.628 -3.523) 7.759 8.993 ( -0.523 -1.563 4.495) 4.788 9.293 ( 11.222 0.234 -8.909) 14.331 9.819 ( -16.827 0.181 3.723) 17.235 9.909 ( -8.364 0.843 -1.543) 8.547 12.527 ( -0.605 0.131 -0.812) 1.021 12.914 ( 1.319 0.194 1.646) 2.118 14.307 ( -1.528 -2.026 -2.802) 3.780 14.631 ( -2.849 1.433 -2.669) 4.159 14.994 ( -1.700 -3.166 1.398) 3.856 15.643 ( -2.379 -0.820 -0.340) 2.539 15.902 ( 0.930 2.221 0.618) 2.486 16.675 ( 4.850 -2.358 -3.132) 6.236 17.198 ( 5.445 1.761 4.098) 7.038 17.389 ( 0.551 2.124 -0.666) 2.293 17.659 ( 4.469 -3.054 0.384) 5.427 18.124 ( -7.396 3.519 1.788) 8.384======================= Grid point 317 (147/172) =======================q-point: ( 0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 152Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( -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 1.875 ( 0.000 -0.000 -0.000) 0.000 1.991 ( -0.000 0.000 0.000) 0.000 2.029 ( -0.000 -0.000 0.000) 0.000 2.088 ( -0.000 0.000 0.000) 0.000 2.299 ( -0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 -0.000) 0.000 2.548 ( 0.000 0.000 -0.000) 0.000 2.699 ( -0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 -0.000) 0.000 3.078 ( -0.000 0.000 0.000) 0.000 3.098 ( 0.000 -0.000 -0.000) 0.000 3.144 ( -0.000 0.000 0.000) 0.000 3.207 ( -0.000 0.000 0.000) 0.000 3.399 ( -0.000 0.000 0.000) 0.000 3.928 ( -0.000 0.000 0.000) 0.000 4.045 ( -0.000 0.000 0.000) 0.000 4.801 ( -0.000 0.000 -0.000) 0.000 4.811 ( 0.000 -0.000 0.000) 0.000 5.178 ( -0.000 0.000 0.000) 0.000 5.259 ( -0.000 0.000 0.000) 0.000 5.553 ( -0.000 0.000 -0.000) 0.000 5.659 ( -0.000 0.000 0.000) 0.000 5.754 ( -0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 -0.000) 0.000 6.704 ( -0.000 -0.000 0.000) 0.000 7.022 ( -0.000 0.000 0.000) 0.000 7.112 ( -0.000 0.000 0.000) 0.000 7.731 ( -0.000 0.000 0.000) 0.000 7.961 ( -0.000 0.000 0.000) 0.000 8.999 ( -0.000 0.000 0.000) 0.000 9.454 ( -0.000 0.000 0.000) 0.000 9.598 ( 0.000 0.000 -0.000) 0.000 9.830 ( -0.000 0.000 0.000) 0.000 12.520 ( -0.000 0.000 0.000) 0.000 12.926 ( -0.000 0.000 0.000) 0.000 14.301 ( -0.000 0.000 0.000) 0.000 14.597 ( -0.000 0.000 -0.000) 0.000 14.994 ( -0.000 0.000 0.000) 0.000 15.629 ( -0.000 0.000 0.000) 0.000 15.900 ( -0.000 0.000 0.000) 0.000 16.726 ( -0.000 0.000 0.000) 0.000 17.243 ( -0.000 0.000 0.000) 0.000 17.378 ( -0.000 0.000 0.000) 0.000 17.735 ( -0.000 0.000 0.000) 0.000 18.024 ( -0.000 0.000 0.000) 0.000======================= Grid point 324 (148/172) =======================q-point: ( 0.10 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( 4.493 0.000 -10.627) 11.538 1.342 ( 3.967 0.000 8.864) 9.711 1.398 ( 5.161 0.000 -6.646) 8.415 1.553 ( 9.907 0.000 6.139) 11.654 1.986 ( -7.973 -0.000 -1.122) 8.052 2.127 ( 1.855 0.000 4.131) 4.529 2.169 ( 0.684 0.000 -5.262) 5.307 2.311 ( 3.852 0.000 -4.861) 6.202 2.442 ( 9.134 0.000 -5.146) 10.484 2.673 ( -0.416 -0.000 2.319) 2.356 2.692 ( 2.324 0.000 -2.286) 3.260 2.778 ( 2.920 0.000 5.944) 6.622 2.939 ( -0.394 -0.000 0.706) 0.809 3.050 ( -2.785 -0.000 1.965) 3.409 3.223 ( 19.471 0.000 -1.845) 19.558 3.254 ( 1.285 0.000 -0.971) 1.611 3.449 ( -3.950 -0.000 -8.711) 9.565 3.530 ( -3.026 -0.000 6.144) 6.848 3.892 ( -9.654 -0.000 -0.240) 9.657 4.644 ( 8.447 0.000 -6.030) 10.379 4.780 ( -8.607 -0.000 -2.906) 9.085 5.194 ( 8.167 0.000 3.184) 8.766 5.320 ( -0.909 -0.000 8.023) 8.075 5.514 ( 12.505 0.000 2.439) 12.740 5.626 ( -8.304 -0.000 -0.448) 8.316 6.131 ( 3.614 0.000 -4.646) 5.886 6.243 ( 8.327 0.000 -16.414) 18.406 6.587 ( 0.133 0.000 13.637) 13.638 6.942 ( 2.066 0.000 17.394) 17.516 6.983 ( 5.395 0.000 -2.565) 5.974 7.661 ( -0.899 -0.000 -1.500) 1.749 8.007 ( -1.156 -0.000 -5.422) 5.544 8.926 ( -2.387 -0.000 10.924) 11.182 9.053 ( 4.824 0.000 -11.246) 12.237 10.375 ( -13.931 -0.000 0.878) 13.958 10.379 ( -13.439 -0.000 0.494) 13.448 12.595 ( -2.779 -0.000 -2.545) 3.768 12.841 ( 2.478 0.000 3.516) 4.301 14.336 ( -3.572 -0.000 -4.615) 5.836 14.730 ( 5.224 0.000 1.565) 5.453 15.103 ( -17.824 -0.000 -6.146) 18.854 15.825 ( -4.245 -0.000 2.293) 4.824 15.992 ( -5.494 -0.000 -6.515) 8.522 16.313 ( 11.435 0.000 -7.262) 13.546 16.950 ( 8.812 0.000 10.741) 13.893 17.142 ( 20.390 0.000 -9.346) 22.430 17.695 ( -12.251 -0.000 11.838) 17.036 18.392 ( -0.750 -0.000 4.456) 4.518======================= Grid point 325 (149/172) =======================q-point: ( 0.20 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.333 ( 4.684 -3.040 -6.757) 8.765 1.407 ( 2.591 -2.666 -1.359) 3.958 1.534 ( 8.332 -1.972 3.854) 9.390 1.712 ( 6.360 -1.272 2.730) 7.037 1.877 ( -4.363 -1.712 -3.890) 6.091 2.120 ( -3.055 1.850 -0.159) 3.575 2.200 ( 3.183 -2.692 1.187) 4.334 2.399 ( 5.792 2.386 -7.844) 10.038 2.497 ( 2.075 4.187 -1.824) 5.016 2.630 ( -1.644 0.912 -1.012) 2.135 2.708 ( -1.348 -0.775 -3.689) 4.003 2.872 ( 1.913 -1.377 6.240) 6.671 2.956 ( -2.751 1.011 5.467) 6.203 3.037 ( 9.605 -0.466 1.829) 9.789 3.236 ( -1.871 0.938 0.449) 2.141 3.353 ( -7.315 -2.323 7.443) 10.692 3.389 ( -1.136 1.153 -6.924) 7.111 3.695 ( 18.586 -0.960 -7.737) 20.155 3.821 ( 1.908 -0.511 1.671) 2.587 4.661 ( -2.387 1.639 -3.597) 4.618 4.779 ( 7.299 0.220 -7.678) 10.596 5.197 ( -3.942 1.025 7.075) 8.164 5.426 ( 7.535 -0.343 1.272) 7.649 5.492 ( -7.039 0.108 5.725) 9.074 5.670 ( 5.754 1.626 2.210) 6.374 6.107 ( -4.861 2.889 -6.968) 8.974 6.407 ( 12.847 0.395 -18.403) 22.447 6.587 ( -0.488 -1.086 12.509) 12.566 7.002 ( -0.530 -2.058 18.320) 18.443 7.065 ( 3.747 0.186 1.537) 4.054 7.714 ( 6.493 -0.646 -1.162) 6.628 7.919 ( -6.529 1.389 -3.641) 7.603 8.931 ( 0.078 -1.379 7.134) 7.267 9.144 ( 8.092 -0.223 -10.555) 13.302 10.115 ( -15.984 0.811 1.640) 16.089 10.129 ( -14.479 -0.197 -0.310) 14.484 12.552 ( -1.709 0.084 -1.984) 2.620 12.886 ( 2.045 0.180 2.876) 3.534 14.290 ( -1.525 -1.022 -2.692) 3.258 14.783 ( -0.997 4.629 -3.101) 5.661 14.887 ( -5.134 -5.934 -2.708) 8.301 15.711 ( -7.286 -0.125 -1.760) 7.497 15.948 ( 0.484 1.333 -0.226) 1.436 16.493 ( 9.737 -1.310 -5.954) 11.488 17.112 ( 8.057 0.848 9.084) 12.172 17.397 ( 10.504 1.676 -8.107) 13.374 17.555 ( -5.551 -1.727 8.102) 9.972 18.325 ( -6.751 1.387 4.742) 8.366======================= Grid point 326 (150/172) =======================q-point: ( 0.30 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( 2.272 -0.868 -0.600) 2.505 1.497 ( 2.860 -6.996 -2.660) 8.012 1.696 ( 6.952 -2.077 1.924) 7.507 1.814 ( 3.569 -3.336 -0.060) 4.886 1.858 ( 0.067 -3.925 -5.440) 6.708 2.054 ( -1.850 2.785 2.667) 4.277 2.261 ( 1.011 -0.456 1.518) 1.880 2.366 ( -1.767 6.435 -1.469) 6.833 2.500 ( 3.605 6.058 -3.579) 7.906 2.595 ( -1.114 1.824 -0.700) 2.249 2.711 ( -1.261 -1.271 -2.800) 3.323 2.855 ( -0.853 -6.042 1.627) 6.315 2.989 ( 1.252 -1.464 5.582) 5.905 3.155 ( 0.003 2.455 4.974) 5.546 3.218 ( -1.584 0.822 1.856) 2.574 3.299 ( 1.384 -3.615 -0.401) 3.891 3.341 ( 0.486 3.482 -4.224) 5.495 3.834 ( 3.306 -1.682 2.855) 4.681 4.007 ( 10.071 0.147 -8.197) 12.986 4.692 ( 7.725 0.824 -1.303) 7.877 4.831 ( 0.823 -0.047 -5.647) 5.707 5.159 ( -0.357 1.725 5.885) 6.143 5.373 ( -5.922 0.729 3.039) 6.696 5.544 ( 4.026 0.332 1.144) 4.199 5.710 ( 0.849 1.612 0.977) 2.067 5.884 ( -15.129 0.790 -2.762) 15.399 6.594 ( 13.831 2.780 -13.205) 19.323 6.658 ( 2.956 -0.702 5.971) 6.699 7.014 ( -4.139 -3.114 13.717) 14.662 7.107 ( 1.239 0.324 0.954) 1.597 7.785 ( -5.671 0.685 -1.886) 6.016 7.855 ( 7.227 -1.470 1.790) 7.589 8.967 ( 1.379 -1.161 2.016) 2.705 9.296 ( 11.564 0.155 -8.806) 14.536 9.823 ( -17.327 0.265 4.513) 17.907 9.918 ( -9.088 0.268 -1.245) 9.177 12.527 ( -0.840 -0.065 -1.248) 1.506 12.917 ( 1.122 0.125 1.567) 1.932 14.287 ( 0.661 -0.397 0.245) 0.809 14.668 ( -4.000 2.443 -3.570) 5.892 14.937 ( 2.519 -2.940 -1.654) 4.210 15.615 ( -3.988 -1.700 -1.296) 4.525 15.944 ( 0.427 2.021 -0.397) 2.104 16.637 ( 6.347 -1.637 -4.183) 7.775 17.233 ( 4.928 1.987 7.141) 8.901 17.407 ( -3.240 -0.257 3.639) 4.879 17.615 ( 6.244 -1.498 -4.802) 8.018 18.176 ( -8.749 2.095 3.370) 9.607======================= Grid point 327 (151/172) =======================q-point: ( 0.40 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( 0.321 0.237 1.233) 1.296 1.591 ( 0.571 -6.796 -1.496) 6.982 1.805 ( 3.309 -2.372 -3.036) 5.079 1.893 ( 1.169 -6.043 -1.037) 6.242 1.919 ( 3.063 -1.811 -2.550) 4.378 2.025 ( 1.101 3.548 3.770) 5.293 2.230 ( -0.427 7.890 1.905) 8.128 2.300 ( -1.018 0.610 1.213) 1.697 2.465 ( -1.381 6.156 1.896) 6.588 2.565 ( -1.550 1.733 0.291) 2.343 2.697 ( 3.009 -0.270 -1.883) 3.560 2.967 ( 2.140 -7.959 -1.385) 8.357 3.015 ( -0.044 -2.930 2.834) 4.077 3.130 ( 0.343 2.531 -1.416) 2.920 3.180 ( -2.393 0.288 6.136) 6.593 3.225 ( -5.213 1.889 -3.087) 6.346 3.430 ( 6.420 2.995 -1.500) 7.241 3.907 ( 1.810 -1.834 3.257) 4.154 4.059 ( 0.116 1.153 -6.515) 6.618 4.782 ( 0.104 -0.566 2.843) 2.901 4.833 ( -1.184 0.742 -2.682) 3.024 5.169 ( -0.565 -0.726 -1.219) 1.527 5.263 ( -4.843 0.483 5.161) 7.094 5.572 ( 0.662 1.855 -2.758) 3.390 5.644 ( -5.451 -1.596 -0.561) 5.707 5.743 ( -0.187 -1.070 -0.337) 1.138 6.627 ( -11.159 -2.757 13.174) 17.484 6.741 ( 5.625 2.229 -1.325) 6.194 7.034 ( 6.661 1.368 -10.705) 12.683 7.115 ( 0.629 0.156 -0.171) 0.670 7.721 ( -1.969 -1.039 -1.409) 2.635 7.961 ( 2.493 -0.046 5.051) 5.632 8.998 ( 1.652 -0.131 -3.162) 3.570 9.455 ( -1.148 0.055 0.820) 1.412 9.600 ( 0.528 0.123 0.052) 0.544 9.826 ( -1.269 -0.391 0.646) 1.477 12.518 ( -0.216 -0.241 -0.427) 0.536 12.926 ( -0.181 -0.014 -0.153) 0.238 14.316 ( 2.644 1.477 3.601) 4.705 14.609 ( -0.600 1.177 -0.940) 1.621 14.995 ( 3.402 0.113 -3.222) 4.687 15.598 ( -0.505 -2.860 -1.355) 3.204 15.919 ( -1.052 1.734 -1.197) 2.355 16.718 ( 2.283 -0.727 -2.057) 3.158 17.255 ( -1.864 1.379 4.719) 5.258 17.374 ( -2.125 -0.728 2.413) 3.297 17.711 ( 3.019 -2.119 -3.674) 5.206 18.038 ( -4.410 1.214 1.561) 4.833======================= Grid point 328 (152/172) =======================q-point: (-0.50 0.10 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( -0.527 0.644 1.152) 1.421 1.625 ( -1.431 -3.664 -0.708) 3.997 1.850 ( -0.344 -2.315 -4.152) 4.766 1.886 ( -1.865 3.879 -1.210) 4.471 2.003 ( 3.170 -5.291 -1.422) 6.330 2.034 ( 2.286 4.079 4.514) 6.499 2.156 ( -0.590 9.025 1.731) 9.209 2.309 ( 1.562 -1.142 2.803) 3.406 2.389 ( -2.608 1.980 6.684) 7.443 2.556 ( 2.361 0.328 -1.846) 3.015 2.752 ( 2.144 1.545 -1.307) 2.948 3.013 ( -1.172 -2.518 -0.907) 2.921 3.021 ( -9.615 -1.538 2.433) 10.037 3.083 ( -0.150 -2.123 -2.424) 3.226 3.136 ( 2.614 3.146 -2.480) 4.784 3.227 ( 2.704 -2.052 3.915) 5.182 3.463 ( 2.714 4.895 -1.067) 5.698 3.902 ( -3.702 0.687 -1.454) 4.036 4.006 ( -5.099 0.764 -0.106) 5.157 4.689 ( -10.520 0.390 0.825) 10.560 4.783 ( -2.415 -1.771 5.433) 6.203 5.084 ( -5.038 -2.432 -2.385) 6.082 5.289 ( 0.775 -2.896 1.347) 3.286 5.556 ( 0.411 1.301 -4.334) 4.544 5.614 ( -3.848 -3.762 -3.071) 6.196 5.821 ( 7.068 -2.194 3.265) 8.089 6.443 ( -14.438 -4.213 17.385) 22.987 6.743 ( -1.149 2.818 -3.535) 4.664 7.068 ( -1.308 -0.858 -5.434) 5.655 7.180 ( 8.668 4.436 -18.215) 20.654 7.718 ( 0.042 -2.802 0.406) 2.832 7.943 ( -4.735 2.684 8.389) 10.000 9.019 ( 2.530 1.231 -7.134) 7.668 9.289 ( -10.853 -0.217 9.093) 14.160 9.817 ( 16.363 0.055 -2.922) 16.622 9.889 ( 7.547 -1.271 1.960) 7.900 12.522 ( 0.395 -0.371 0.391) 0.668 12.910 ( -1.492 -0.180 -1.783) 2.332 14.361 ( 4.064 3.772 6.534) 8.570 14.620 ( 2.465 0.171 1.621) 2.955 15.046 ( 4.850 2.550 -4.726) 7.237 15.628 ( 1.259 -2.471 -1.463) 3.135 15.881 ( -1.845 0.015 -1.771) 2.558 16.713 ( -2.488 1.644 1.038) 3.158 17.174 ( -7.291 -0.700 0.617) 7.350 17.344 ( -4.108 -2.690 2.667) 5.588 17.707 ( -1.594 1.942 -3.513) 4.319 18.060 ( 4.829 -3.279 0.068) 5.838======================= Grid point 329 (153/172) =======================q-point: (-0.40 0.10 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( -1.191 1.542 2.102) 2.866 1.609 ( -2.147 0.783 -1.621) 2.802 1.743 ( -3.380 7.835 -5.978) 10.418 1.870 ( -2.611 3.953 5.031) 6.911 2.020 ( 1.555 5.172 2.071) 5.784 2.043 ( 0.021 0.763 -0.900) 1.180 2.139 ( 2.430 -4.979 0.618) 5.575 2.349 ( -0.481 2.474 4.576) 5.224 2.377 ( 1.447 -0.242 4.848) 5.065 2.613 ( 2.100 -0.414 -1.660) 2.708 2.709 ( -5.030 0.143 2.562) 5.647 2.840 ( -8.270 -1.719 -2.470) 8.801 2.990 ( -3.474 2.349 -1.954) 4.627 3.078 ( -3.149 -2.120 -1.333) 4.023 3.165 ( 1.835 0.112 -5.064) 5.388 3.306 ( 2.516 -2.033 9.056) 9.616 3.490 ( 5.412 3.113 -1.515) 6.425 3.757 ( -12.100 2.015 3.657) 12.800 3.878 ( -3.493 2.536 -5.547) 7.029 4.586 ( -1.874 -1.230 4.117) 4.688 4.732 ( -6.696 -2.138 4.512) 8.352 5.075 ( -0.829 -5.869 1.161) 6.040 5.328 ( -0.157 -3.806 1.437) 4.072 5.534 ( -3.743 -1.360 -9.617) 10.409 5.552 ( -2.619 -2.491 -2.757) 4.546 5.939 ( -0.218 -3.441 10.562) 11.111 6.341 ( -4.540 -3.766 11.520) 12.942 6.676 ( -0.928 2.942 -11.580) 11.984 7.018 ( -4.669 -1.220 -1.628) 5.093 7.174 ( 0.778 5.287 -23.977) 24.565 7.783 ( 1.505 -5.112 4.376) 6.896 7.804 ( -8.342 3.607 10.728) 14.061 9.033 ( 3.121 3.214 -9.424) 10.435 9.165 ( -5.547 0.760 10.009) 11.468 10.068 ( 13.426 -1.493 1.024) 13.548 10.124 ( 16.036 -0.374 -0.190) 16.041 12.541 ( 1.242 -0.492 1.141) 1.757 12.873 ( -2.508 -0.368 -2.889) 3.843 14.410 ( 4.819 5.610 8.223) 11.059 14.689 ( 4.298 -0.624 3.260) 5.431 15.097 ( 6.129 4.825 -5.815) 9.729 15.682 ( 2.719 -3.018 0.270) 4.071 15.859 ( -0.979 -1.717 -2.647) 3.303 16.606 ( -7.384 4.015 5.354) 9.965 17.040 ( -8.926 -2.611 -4.906) 10.514 17.260 ( -11.262 -4.788 5.453) 13.398 17.684 ( 4.532 4.225 -6.739) 9.155 18.196 ( 5.215 -5.076 -0.542) 7.298======================= Grid point 330 (154/172) =======================q-point: (-0.30 0.10 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.366 ( -1.819 2.998 4.253) 5.512 1.512 ( -4.134 6.164 -5.570) 9.280 1.618 ( -1.632 9.142 -2.862) 9.718 1.714 ( -6.475 10.474 4.520) 13.117 2.041 ( 2.184 2.256 2.035) 3.742 2.086 ( 2.604 -5.632 -2.819) 6.815 2.222 ( 1.296 -2.348 0.066) 2.682 2.300 ( -5.884 2.719 6.875) 9.449 2.339 ( -1.166 1.921 4.175) 4.741 2.560 ( -5.366 -1.027 -1.375) 5.634 2.697 ( -1.168 -1.261 0.721) 1.864 2.775 ( -2.165 -3.484 -4.858) 6.358 2.867 ( -6.477 0.533 -0.909) 6.562 3.028 ( -5.079 -2.277 -0.107) 5.567 3.143 ( -3.388 -1.686 -3.035) 4.851 3.355 ( -5.917 1.292 8.039) 10.065 3.464 ( 1.042 2.091 8.498) 8.813 3.659 ( 4.133 4.986 -6.452) 9.141 3.897 ( 9.134 -0.138 -4.064) 9.998 4.616 ( -1.692 -3.291 3.158) 4.865 4.644 ( -2.760 -1.171 5.606) 6.357 5.116 ( -4.148 -8.324 7.139) 11.724 5.325 ( -3.376 -1.158 -4.032) 5.385 5.405 ( -9.448 -3.607 -9.143) 13.633 5.609 ( 6.340 -1.444 -0.649) 6.535 5.951 ( -2.015 -3.300 8.893) 9.698 6.319 ( -4.023 -0.755 7.478) 8.525 6.626 ( -0.771 1.476 -15.423) 15.513 6.932 ( -5.474 -0.687 -0.201) 5.521 7.066 ( -3.007 3.662 -18.471) 19.069 7.664 ( -4.709 1.505 9.378) 10.602 7.866 ( -0.602 -6.515 5.251) 8.390 9.034 ( 3.295 4.507 -9.830) 11.305 9.106 ( -2.213 2.571 9.387) 9.981 10.327 ( 13.993 -1.799 -0.562) 14.119 10.383 ( 13.132 -0.060 1.047) 13.174 12.580 ( 2.347 -0.681 1.800) 3.035 12.823 ( -3.032 -0.658 -3.285) 4.518 14.458 ( 5.157 6.386 8.304) 11.676 14.754 ( 1.430 1.188 0.834) 2.038 15.182 ( 10.842 3.207 -3.331) 11.786 15.787 ( 4.668 -5.289 2.775) 7.581 15.865 ( 0.195 -1.905 -3.235) 3.759 16.434 ( -8.471 4.834 9.213) 13.416 16.899 ( -9.006 -2.792 -8.573) 12.744 17.057 ( -17.585 -3.754 6.093) 18.985 17.766 ( 10.315 3.357 -9.161) 14.198 18.297 ( 0.941 -4.637 -0.733) 4.788======================= Grid point 331 (155/172) =======================q-point: (-0.20 0.10 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.301 ( -2.068 4.403 2.493) 5.465 1.369 ( -3.945 7.009 -4.360) 9.149 1.490 ( -3.331 11.101 8.832) 14.572 1.516 ( -4.827 9.975 -6.549) 12.872 2.066 ( 1.076 -2.472 -1.240) 2.968 2.140 ( -0.518 -1.864 -2.480) 3.146 2.198 ( -0.765 2.934 5.416) 6.207 2.239 ( -0.945 -1.475 0.154) 1.759 2.352 ( 0.978 4.051 1.527) 4.439 2.509 ( 0.499 -5.280 -0.660) 5.344 2.616 ( -10.423 -1.118 4.623) 11.457 2.760 ( 1.733 -2.724 -0.220) 3.236 2.838 ( -4.686 -2.682 -1.069) 5.504 2.899 ( -7.311 -0.736 -3.668) 8.212 3.134 ( 1.422 -0.922 -1.469) 2.243 3.221 ( -5.301 0.447 3.073) 6.144 3.569 ( 5.912 1.763 8.810) 10.755 3.653 ( 1.586 4.458 -5.300) 7.105 4.129 ( 16.144 -0.207 -3.362) 16.491 4.549 ( -5.291 0.627 4.269) 6.827 4.721 ( 2.717 -7.317 4.056) 8.796 5.082 ( -11.884 -9.567 2.398) 15.443 5.193 ( -3.556 3.315 -6.927) 8.462 5.317 ( -4.750 -2.140 -2.489) 5.774 5.761 ( 8.605 -1.570 2.520) 9.103 5.973 ( -1.234 -2.800 2.701) 4.082 6.272 ( -0.313 1.772 5.138) 5.444 6.516 ( -7.384 1.571 -10.921) 13.277 6.864 ( -2.317 -0.253 -0.352) 2.357 6.944 ( -4.764 2.242 -7.210) 8.927 7.686 ( 4.671 -2.921 2.192) 5.929 7.887 ( -4.660 -6.149 4.524) 8.944 9.029 ( 3.088 4.562 -10.272) 11.656 9.065 ( -1.576 3.633 9.651) 10.432 10.546 ( 9.080 -1.397 -2.159) 9.437 10.567 ( 7.338 -0.237 1.773) 7.553 12.641 ( 3.328 -0.935 2.421) 4.221 12.770 ( -3.225 -1.008 -3.204) 4.656 14.507 ( 5.388 5.961 7.081) 10.711 14.700 ( -3.689 4.453 -3.651) 6.838 15.433 ( 17.892 -3.172 -0.757) 18.187 15.865 ( -4.682 -5.523 1.454) 7.385 15.934 ( 7.964 -1.913 -1.205) 8.278 16.296 ( -5.432 4.548 13.374) 15.135 16.732 ( -12.582 -2.051 -2.902) 13.074 16.786 ( -13.035 -0.381 -3.506) 13.504 17.932 ( 13.142 1.498 -9.041) 16.022 18.289 ( -6.101 -2.770 0.779) 6.745======================= Grid point 332 (156/172) =======================q-point: (-0.10 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.256 ( 1.519 4.840 -14.453) 15.318 1.256 ( -1.519 4.840 14.453) 15.318 1.373 ( 1.027 8.579 -13.983) 16.437 1.373 ( -1.027 8.579 13.983) 16.437 2.117 ( 4.286 0.047 -9.617) 10.529 2.117 ( -4.286 0.047 9.617) 10.529 2.215 ( -3.119 -1.208 -0.169) 3.349 2.215 ( 3.119 -1.208 0.169) 3.349 2.408 ( 8.872 0.247 -6.229) 10.843 2.408 ( -8.872 0.247 6.229) 10.843 2.679 ( -4.910 -1.504 -9.290) 10.615 2.679 ( 4.910 -1.504 9.290) 10.615 2.847 ( -0.695 -2.456 -5.696) 6.241 2.847 ( 0.695 -2.456 5.696) 6.241 3.174 ( 1.927 -1.150 -0.908) 2.421 3.174 ( -1.927 -1.150 0.908) 2.421 3.617 ( -0.478 3.182 -6.478) 7.233 3.617 ( 0.478 3.182 6.478) 7.233 4.392 ( -5.974 0.211 -3.285) 6.821 4.392 ( 5.974 0.211 3.285) 6.821 4.911 ( -10.530 -6.863 -4.402) 13.318 4.911 ( 10.530 -6.863 4.402) 13.318 5.220 ( -6.183 1.135 -0.563) 6.312 5.220 ( 6.183 1.135 0.563) 6.312 5.919 ( -3.998 -1.371 -5.235) 6.728 5.919 ( 3.998 -1.371 5.235) 6.728 6.340 ( -5.827 1.768 -11.297) 12.833 6.340 ( 5.827 1.768 11.297) 12.833 6.861 ( 1.222 0.586 -11.232) 11.313 6.861 ( -1.222 0.586 11.232) 11.313 7.836 ( 2.524 -4.434 -1.651) 5.363 7.836 ( -2.524 -4.434 1.651) 5.363 9.019 ( 2.436 3.422 -11.931) 12.649 9.019 ( -2.436 3.422 11.931) 12.649 10.636 ( 0.372 -0.669 -2.781) 2.884 10.636 ( -0.372 -0.669 2.781) 2.884 12.715 ( -3.532 -0.994 -3.070) 4.784 12.715 ( 3.532 -0.994 3.070) 4.784 14.566 ( -5.388 4.392 -5.336) 8.763 14.566 ( 5.388 4.392 5.336) 8.763 15.776 ( -8.451 -6.754 0.874) 10.853 15.776 ( 8.451 -6.754 -0.874) 10.853 16.112 ( 12.910 2.980 -7.826) 15.388 16.112 ( -12.910 2.980 7.826) 15.388 16.633 ( -3.303 0.280 -6.219) 7.047 16.633 ( 3.303 0.280 6.219) 7.047 18.142 ( 3.163 -0.445 -5.973) 6.774 18.142 ( -3.163 -0.445 5.973) 6.774======================= Grid point 336 (157/172) =======================q-point: ( 0.20 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( 4.276 0.000 -5.344) 6.845 1.438 ( 2.032 0.000 1.171) 2.345 1.681 ( 8.524 0.000 1.804) 8.713 1.783 ( 2.402 0.000 0.919) 2.571 1.818 ( -0.424 -0.000 -5.696) 5.712 2.085 ( -1.514 -0.000 2.414) 2.850 2.245 ( 2.292 0.000 1.133) 2.557 2.440 ( -1.306 -0.000 -1.621) 2.082 2.562 ( 1.895 0.000 -1.844) 2.644 2.631 ( 2.658 0.000 -2.201) 3.451 2.687 ( 3.343 0.000 -7.607) 8.309 2.782 ( -9.391 -0.000 7.270) 11.876 2.976 ( 1.537 0.000 6.411) 6.593 3.185 ( -0.612 -0.000 6.056) 6.087 3.221 ( -6.131 -0.000 3.553) 7.087 3.261 ( 6.680 0.000 -3.251) 7.429 3.375 ( 1.751 0.000 -4.582) 4.905 3.818 ( 3.178 0.000 2.344) 3.949 4.008 ( 10.808 0.000 -8.713) 13.883 4.703 ( 7.522 0.000 -1.598) 7.690 4.827 ( -0.155 -0.000 -5.160) 5.163 5.177 ( -0.575 -0.000 5.667) 5.696 5.377 ( -6.940 -0.000 5.339) 8.756 5.548 ( 5.581 0.000 -0.103) 5.582 5.726 ( 0.015 0.000 0.050) 0.052 5.891 ( -17.278 -0.000 -2.604) 17.473 6.612 ( 9.989 0.000 -10.165) 14.252 6.662 ( 6.261 0.000 6.867) 9.293 6.985 ( -1.681 -0.000 9.846) 9.988 7.108 ( 0.865 0.000 -0.518) 1.008 7.791 ( -6.971 -0.000 -1.598) 7.151 7.842 ( 7.488 0.000 4.286) 8.628 8.956 ( 2.195 0.000 0.947) 2.390 9.298 ( 11.697 0.000 -8.773) 14.621 9.826 ( -17.555 -0.000 4.873) 18.219 9.920 ( -9.367 -0.000 -1.180) 9.441 12.526 ( -0.937 -0.000 -1.444) 1.722 12.918 ( 1.033 0.000 1.546) 1.860 14.285 ( 1.538 0.000 1.459) 2.120 14.697 ( -5.622 -0.000 -3.638) 6.696 14.906 ( 5.502 0.000 -3.167) 6.349 15.598 ( -4.756 -0.000 -1.660) 5.038 15.963 ( 0.281 0.000 -0.765) 0.815 16.622 ( 6.793 0.000 -4.499) 8.148 17.256 ( 5.692 0.000 8.176) 9.962 17.397 ( -5.283 -0.000 6.286) 8.211 17.604 ( 6.543 0.000 -7.771) 10.158 18.196 ( -9.186 -0.000 4.019) 10.027======================= Grid point 337 (158/172) =======================q-point: ( 0.30 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.436 ( 1.404 0.305 -0.484) 1.516 1.483 ( 1.278 -3.888 -0.151) 4.095 1.783 ( 0.394 -0.347 -5.567) 5.591 1.822 ( 4.900 -1.551 0.322) 5.150 1.867 ( 4.703 -2.631 -2.018) 5.754 2.086 ( 1.776 2.150 5.062) 5.779 2.269 ( 0.105 -0.476 2.015) 2.073 2.381 ( -2.199 4.556 0.534) 5.087 2.561 ( 0.271 2.600 0.000) 2.614 2.610 ( -7.748 2.976 6.317) 10.431 2.700 ( 7.295 2.013 -4.081) 8.598 2.818 ( 3.992 -7.955 -3.267) 9.481 2.980 ( -2.504 -0.982 4.042) 4.855 3.164 ( -0.200 1.117 0.890) 1.442 3.174 ( -1.186 -0.413 4.199) 4.382 3.247 ( -4.547 0.551 -2.787) 5.361 3.480 ( 7.878 1.825 -2.397) 8.434 3.879 ( 2.233 -0.985 3.510) 4.275 4.074 ( 0.556 0.448 -8.563) 8.592 4.787 ( -1.709 0.810 1.933) 2.704 4.829 ( 0.547 -0.891 -0.933) 1.401 5.159 ( -3.212 -0.315 -2.429) 4.039 5.274 ( -5.504 0.575 8.299) 9.975 5.605 ( 1.032 1.284 -3.742) 4.089 5.614 ( -8.709 -1.227 -1.301) 8.891 5.725 ( -0.660 -0.730 -1.236) 1.580 6.590 ( -12.906 -1.188 16.490) 20.974 6.768 ( 4.503 0.727 1.328) 4.751 7.069 ( 9.368 2.221 -12.765) 15.988 7.107 ( 1.671 -1.159 -3.533) 4.076 7.703 ( -3.150 -0.687 -2.348) 3.989 7.960 ( 3.949 -0.006 8.559) 9.426 8.996 ( 2.685 -0.084 -5.173) 5.829 9.456 ( -1.792 0.036 1.302) 2.215 9.602 ( 0.750 0.078 0.138) 0.766 9.819 ( -1.998 -0.245 0.969) 2.234 12.514 ( -0.321 -0.146 -0.701) 0.784 12.926 ( -0.289 -0.009 -0.246) 0.380 14.341 ( 4.323 0.937 5.921) 7.391 14.629 ( -1.336 0.746 -1.079) 1.873 14.997 ( 5.796 0.077 -5.510) 7.998 15.552 ( -0.914 -1.612 -2.485) 3.100 15.946 ( -1.593 0.885 -1.938) 2.660 16.705 ( 3.361 -0.504 -3.265) 4.713 17.294 ( -2.800 2.822 7.061) 8.103 17.345 ( -3.056 -2.477 5.839) 7.040 17.679 ( 3.680 -1.090 -7.139) 8.105 18.056 ( -6.238 0.621 2.382) 6.706======================= Grid point 338 (159/172) =======================q-point: (-0.60 0.20 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.440 ( 0.128 0.868 1.343) 1.605 1.537 ( 0.129 -5.097 -0.441) 5.118 1.779 ( -0.808 -3.660 -5.523) 6.675 1.905 ( 1.713 -0.792 0.231) 1.902 1.966 ( 5.298 -0.472 -2.814) 6.018 2.117 ( 3.813 4.522 5.164) 7.852 2.284 ( 1.233 -0.457 3.457) 3.699 2.309 ( -1.250 5.651 1.143) 5.899 2.452 ( -5.216 4.337 8.054) 10.530 2.576 ( 1.974 1.566 -2.712) 3.702 2.781 ( 2.340 1.633 -2.218) 3.614 2.913 ( -1.597 -6.440 -0.418) 6.649 2.963 ( -0.781 -2.815 2.003) 3.542 3.115 ( -4.351 2.354 -3.819) 6.250 3.185 ( 0.984 1.728 -0.365) 2.022 3.197 ( 2.062 -0.960 5.796) 6.227 3.543 ( 2.609 3.638 -1.697) 4.788 3.897 ( -2.632 -0.836 0.910) 2.908 4.025 ( -3.581 1.009 -5.651) 6.766 4.694 ( -11.161 0.234 1.219) 11.229 4.761 ( -3.194 -0.768 5.035) 6.012 5.041 ( -8.917 -2.040 0.770) 9.180 5.250 ( -0.046 -1.268 0.816) 1.508 5.545 ( -4.395 -3.395 -3.546) 6.589 5.584 ( -1.095 1.581 -4.308) 4.718 5.788 ( 6.954 -1.318 1.971) 7.347 6.377 ( -15.069 -2.878 18.774) 24.245 6.785 ( -0.760 1.654 -4.683) 5.024 7.061 ( -2.023 -0.031 -2.971) 3.594 7.242 ( 9.541 2.390 -18.178) 20.668 7.672 ( -1.515 -2.056 -2.514) 3.584 7.983 ( -3.227 1.668 11.765) 12.313 9.035 ( 3.991 0.615 -9.089) 9.946 9.285 ( -10.644 -0.127 9.316) 14.146 9.820 ( 16.334 0.189 -2.466) 16.520 9.867 ( 6.750 -1.033 2.322) 7.213 12.515 ( 0.321 -0.322 0.114) 0.468 12.907 ( -1.582 -0.102 -1.913) 2.485 14.429 ( 6.096 3.328 9.701) 11.931 14.630 ( 2.140 0.721 1.411) 2.662 15.082 ( 6.191 1.275 -7.104) 9.509 15.574 ( 1.369 -2.792 -4.299) 5.306 15.892 ( -2.839 0.819 -2.571) 3.917 16.729 ( -0.547 0.148 -1.488) 1.592 17.182 ( -8.715 1.768 4.887) 10.147 17.293 ( -7.104 -3.077 4.864) 9.143 17.724 ( 2.327 0.104 -6.149) 6.576 18.017 ( 1.290 -1.459 1.637) 2.544======================= Grid point 339 (160/172) =======================q-point: (-0.50 0.20 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.435 ( 0.265 1.735 1.792) 2.508 1.577 ( 0.124 -3.390 -0.792) 3.483 1.801 ( -0.607 -4.704 -4.458) 6.509 1.882 ( -1.538 3.132 -1.085) 3.654 2.036 ( 2.267 0.069 -1.043) 2.496 2.138 ( 2.244 6.395 4.158) 7.951 2.202 ( -2.492 8.271 3.167) 9.201 2.355 ( 4.097 -1.596 5.169) 6.786 2.406 ( 1.054 2.811 3.944) 4.957 2.604 ( 2.654 -0.310 -4.698) 5.405 2.722 ( -8.338 0.783 3.212) 8.969 2.817 ( -8.316 -1.022 -2.317) 8.693 3.007 ( 0.244 -1.181 -1.202) 1.702 3.045 ( -3.582 0.572 -0.298) 3.640 3.163 ( -3.472 -1.673 -5.960) 7.098 3.295 ( 6.473 0.985 11.502) 13.235 3.530 ( -0.200 1.404 0.681) 1.573 3.796 ( -6.741 2.155 -0.696) 7.111 3.923 ( -3.918 2.187 -7.183) 8.469 4.573 ( -2.676 -0.281 4.501) 5.244 4.697 ( -6.276 -1.636 3.076) 7.178 4.962 ( -5.338 -6.066 7.363) 10.932 5.273 ( 0.696 -2.256 -1.743) 2.934 5.463 ( -7.778 -4.384 -7.010) 11.352 5.541 ( -1.632 -0.497 -2.636) 3.140 5.908 ( 2.580 -0.063 8.033) 8.438 6.260 ( -5.074 -4.909 10.863) 12.956 6.721 ( -2.025 1.930 -12.419) 12.731 7.005 ( -4.157 -0.114 -0.084) 4.160 7.256 ( -0.218 3.552 -24.095) 24.357 7.691 ( 0.311 -4.518 2.369) 5.111 7.870 ( -9.373 3.220 14.560) 17.613 9.084 ( 4.842 2.369 -10.083) 11.433 9.177 ( -3.998 0.520 9.642) 10.451 10.043 ( 12.739 -1.199 1.471) 12.879 10.118 ( 16.484 -0.285 0.232) 16.488 12.532 ( 1.176 -0.443 0.880) 1.534 12.868 ( -2.598 -0.217 -3.017) 3.987 14.519 ( 6.612 6.079 11.865) 14.881 14.690 ( 4.639 0.498 3.209) 5.663 15.161 ( 6.373 2.089 -8.600) 10.905 15.615 ( 0.656 -3.749 -4.117) 5.607 15.845 ( -0.855 -0.087 -3.311) 3.421 16.667 ( -5.583 2.457 2.838) 6.727 17.005 ( -10.793 -0.802 0.091) 10.823 17.176 ( -11.645 -4.536 4.641) 13.331 17.753 ( 5.136 3.330 -6.779) 9.134 18.106 ( 4.072 -4.631 1.712) 6.400======================= Grid point 340 (161/172) =======================q-point: (-0.40 0.20 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.424 ( 0.446 3.402 2.817) 4.440 1.579 ( -1.460 1.267 -2.640) 3.273 1.765 ( -0.717 6.086 -6.553) 8.972 1.864 ( -1.501 0.773 3.726) 4.091 2.002 ( -4.236 0.796 2.243) 4.859 2.080 ( -0.855 2.917 -0.264) 3.051 2.200 ( 4.954 2.427 2.355) 5.998 2.367 ( -4.687 4.089 4.051) 7.423 2.416 ( 0.657 3.818 5.999) 7.141 2.556 ( -4.052 0.678 -1.562) 4.395 2.659 ( 0.812 -3.194 -5.913) 6.769 2.727 ( -2.807 -1.080 -2.001) 3.612 2.875 ( -13.866 -0.191 1.008) 13.904 2.980 ( -4.460 -2.008 -1.855) 5.231 3.123 ( -1.377 -1.180 -3.325) 3.788 3.371 ( -3.931 0.921 10.185) 10.957 3.500 ( 0.964 1.375 10.209) 10.347 3.745 ( 3.478 4.379 -6.770) 8.781 3.895 ( 6.917 0.146 -8.145) 10.687 4.570 ( -1.014 -1.621 3.252) 3.772 4.632 ( -2.595 -0.372 5.221) 5.842 4.950 ( -7.375 -9.423 12.438) 17.260 5.287 ( -1.463 -2.474 -3.550) 4.568 5.333 ( -9.687 -4.440 -9.747) 14.441 5.572 ( 4.429 -2.487 0.763) 5.136 5.928 ( 0.207 0.464 6.729) 6.749 6.271 ( -2.429 -4.258 5.831) 7.618 6.649 ( -2.045 0.922 -16.697) 16.847 6.926 ( -4.874 0.116 2.824) 5.634 7.126 ( -4.788 2.840 -22.749) 23.421 7.702 ( -7.654 2.029 13.382) 15.549 7.751 ( -1.326 -5.576 4.845) 7.505 9.110 ( 3.303 3.842 -5.240) 7.288 9.155 ( 0.572 2.668 4.525) 5.284 10.297 ( 14.203 -1.486 -0.582) 14.292 10.382 ( 13.138 -0.095 1.996) 13.289 12.568 ( 2.239 -0.557 1.532) 2.769 12.813 ( -3.209 -0.391 -3.369) 4.669 14.589 ( 6.116 7.934 11.575) 15.308 14.777 ( 4.696 1.288 2.775) 5.605 15.229 ( 6.109 1.620 -8.901) 10.917 15.660 ( -0.543 -7.544 0.072) 7.564 15.861 ( 3.890 0.562 -5.429) 6.703 16.516 ( -8.802 4.024 8.793) 13.076 16.845 ( -9.252 -2.756 -5.193) 10.962 16.989 ( -15.012 -3.752 3.925) 15.964 17.830 ( 8.911 3.548 -7.727) 12.317 18.208 ( 1.477 -5.085 1.819) 5.599======================= Grid point 341 (162/172) =======================q-point: (-0.30 0.20 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( -0.212 5.398 1.907) 5.728 1.489 ( -3.986 6.026 -2.234) 7.563 1.680 ( 0.241 9.732 -7.836) 12.497 1.738 ( -4.937 12.079 8.353) 15.494 1.989 ( -1.855 -5.949 0.912) 6.298 2.057 ( -1.873 -4.718 -1.777) 5.378 2.254 ( -0.773 3.481 3.005) 4.664 2.276 ( 2.102 3.616 -0.186) 4.187 2.425 ( 4.120 0.386 4.531) 6.136 2.459 ( -4.305 3.504 -4.398) 7.082 2.606 ( -10.040 -0.263 3.902) 10.774 2.709 ( 1.268 -2.791 -6.000) 6.737 2.769 ( -1.476 -3.890 3.977) 5.756 2.890 ( -6.533 -0.622 -4.293) 7.842 3.118 ( 0.656 -0.855 -2.816) 3.015 3.233 ( -8.277 0.626 6.563) 10.582 3.604 ( 6.912 2.227 10.498) 12.765 3.727 ( 0.685 3.661 -5.581) 6.710 4.110 ( 16.060 -1.766 -9.020) 18.504 4.558 ( -5.500 0.287 4.485) 7.103 4.625 ( 1.299 -3.644 8.109) 8.985 4.911 ( -9.338 -8.872 5.505) 14.008 5.198 ( -5.263 -2.387 -7.842) 9.741 5.260 ( -4.251 -3.578 -2.705) 6.180 5.719 ( 8.231 -2.978 3.456) 9.411 5.943 ( -0.873 -0.899 1.406) 1.883 6.278 ( 1.119 -1.024 3.136) 3.484 6.539 ( -7.004 0.782 -11.510) 13.496 6.865 ( -2.165 0.353 4.245) 4.778 6.980 ( -5.435 1.600 -13.877) 14.989 7.647 ( 0.472 -1.168 7.081) 7.192 7.772 ( -3.719 -6.203 2.914) 7.798 9.114 ( 2.364 4.621 -2.475) 5.751 9.140 ( 0.459 4.456 1.905) 4.868 10.521 ( 9.730 -1.264 -2.396) 10.100 10.563 ( 6.854 -0.155 2.830) 7.417 12.625 ( 3.176 -0.756 2.096) 3.880 12.754 ( -3.446 -0.707 -3.095) 4.685 14.635 ( 5.402 8.053 9.350) 13.470 14.788 ( -0.769 5.132 -2.721) 5.859 15.366 ( 10.963 -4.198 -4.473) 12.563 15.701 ( -5.900 -10.265 3.214) 12.268 15.958 ( 10.703 2.131 -7.364) 13.165 16.360 ( -8.507 2.617 13.250) 15.962 16.698 ( -9.191 -1.528 -2.124) 9.556 16.772 ( -11.120 -1.106 -2.907) 11.547 17.963 ( 10.843 1.831 -7.649) 13.395 18.231 ( -4.165 -3.469 2.656) 6.036======================= Grid point 342 (163/172) =======================q-point: (-0.20 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.358 ( 1.310 6.328 -12.641) 14.197 1.358 ( -1.310 6.328 12.641) 14.197 1.576 ( 1.921 12.630 -11.519) 17.202 1.576 ( -1.921 12.630 11.519) 17.202 2.061 ( -0.975 -5.805 -1.256) 6.019 2.061 ( 0.975 -5.805 1.256) 6.019 2.238 ( -0.431 3.677 -3.864) 5.351 2.238 ( 0.431 3.677 3.864) 5.351 2.418 ( 4.957 0.560 -6.306) 8.041 2.418 ( -4.957 0.560 6.306) 8.041 2.646 ( -8.491 -1.693 -6.356) 10.741 2.646 ( 8.491 -1.693 6.356) 10.741 2.808 ( -1.029 -1.700 -8.010) 8.252 2.808 ( 1.029 -1.700 8.010) 8.252 3.152 ( 2.807 -1.106 -2.791) 4.110 3.152 ( -2.807 -1.106 2.791) 4.110 3.677 ( -1.797 3.212 -7.202) 8.088 3.677 ( 1.797 3.212 7.202) 8.088 4.387 ( 3.539 -1.112 -9.020) 9.753 4.387 ( -3.539 -1.112 9.020) 9.753 4.790 ( -10.495 -5.917 -5.273) 13.151 4.790 ( 10.495 -5.917 5.273) 13.151 5.209 ( -1.632 -2.354 -0.607) 2.927 5.209 ( 1.632 -2.354 0.607) 2.927 5.887 ( -3.556 -2.189 -6.913) 8.077 5.887 ( 3.556 -2.189 6.913) 8.077 6.371 ( -4.282 1.339 -11.248) 12.110 6.371 ( 4.282 1.339 11.248) 12.110 6.874 ( -0.531 0.859 -11.669) 11.712 6.874 ( 0.531 0.859 11.669) 11.712 7.745 ( -5.568 -5.092 0.580) 7.567 7.745 ( 5.568 -5.092 -0.580) 7.567 9.097 ( 1.634 4.838 -11.553) 12.631 9.097 ( -1.634 4.838 11.553) 12.631 10.622 ( 1.186 -0.735 -3.001) 3.309 10.622 ( -1.186 -0.735 3.001) 3.309 12.696 ( -3.526 -1.008 -2.665) 4.533 12.696 ( 3.526 -1.008 2.665) 4.533 14.670 ( -4.499 6.849 -6.751) 10.618 14.670 ( 4.499 6.849 6.751) 10.618 15.634 ( -12.270 -8.706 3.442) 15.434 15.634 ( 12.270 -8.706 -3.442) 15.434 16.159 ( 15.297 2.067 -10.573) 18.710 16.159 ( -15.297 2.067 10.573) 18.710 16.639 ( -3.008 0.333 -5.653) 6.412 16.639 ( 3.008 0.333 5.653) 6.412 18.131 ( 3.339 -0.747 -8.930) 9.563 18.131 ( -3.339 -0.747 8.930) 9.563======================= Grid point 348 (164/172) =======================q-point: ( 0.30 0.30 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 0.761 0.000 -0.926) 1.199 1.475 ( 0.593 0.000 1.792) 1.888 1.745 ( -1.481 -0.000 -5.462) 5.659 1.898 ( 2.603 0.000 -0.333) 2.625 1.958 ( 7.236 0.000 -2.218) 7.568 2.164 ( 4.750 0.000 6.668) 8.187 2.270 ( 0.076 0.000 1.909) 1.910 2.369 ( -1.669 -0.000 0.927) 1.909 2.502 ( -6.490 -0.000 8.761) 10.903 2.593 ( 1.692 0.000 -2.955) 3.405 2.809 ( -0.898 -0.000 1.569) 1.808 2.833 ( 3.785 0.000 -5.128) 6.373 2.935 ( -0.113 -0.000 2.463) 2.465 3.137 ( -4.908 -0.000 -2.420) 5.472 3.186 ( 0.634 0.000 -2.468) 2.548 3.204 ( 1.948 0.000 7.521) 7.770 3.579 ( 2.455 0.000 -2.270) 3.343 3.887 ( -1.877 -0.000 1.203) 2.229 4.034 ( -3.276 -0.000 -6.970) 7.701 4.697 ( -11.677 -0.000 1.160) 11.734 4.753 ( -3.073 -0.000 5.254) 6.087 5.021 ( -10.466 -0.000 1.957) 10.648 5.241 ( -0.546 -0.000 0.823) 0.988 5.511 ( -4.481 -0.000 -3.877) 5.925 5.601 ( -2.371 -0.000 -3.991) 4.642 5.776 ( 7.963 0.000 0.700) 7.994 6.349 ( -15.603 -0.000 19.510) 24.982 6.800 ( -0.674 -0.000 -5.294) 5.337 7.061 ( -2.222 -0.000 -1.882) 2.912 7.264 ( 9.430 0.000 -17.199) 19.615 7.652 ( -1.758 -0.000 -4.406) 4.744 7.998 ( -2.643 -0.000 13.024) 13.290 9.041 ( 4.533 0.000 -9.820) 10.815 9.284 ( -10.597 -0.000 9.426) 14.182 9.822 ( 16.763 0.000 -2.487) 16.947 9.857 ( 6.058 0.000 2.603) 6.594 12.512 ( 0.317 0.000 0.017) 0.317 12.907 ( -1.606 -0.000 -1.965) 2.538 14.462 ( 6.896 0.000 10.911) 12.908 14.638 ( 2.033 0.000 1.689) 2.643 15.092 ( 6.174 0.000 -7.800) 9.948 15.547 ( 1.832 0.000 -5.996) 6.270 15.900 ( -3.261 -0.000 -2.905) 4.367 16.728 ( 0.013 0.000 -2.498) 2.498 17.225 ( -7.465 -0.000 4.046) 8.491 17.239 ( -9.938 -0.000 8.612) 13.150 17.723 ( 4.288 0.000 -7.455) 8.600 18.005 ( -0.429 -0.000 2.227) 2.268======================= Grid point 349 (165/172) =======================q-point: (-0.60 0.30 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( 1.369 1.514 1.415) 2.484 1.516 ( 1.832 -2.774 -0.011) 3.325 1.723 ( -1.135 -2.541 -4.762) 5.515 1.908 ( -1.054 0.232 0.213) 1.100 2.060 ( 4.085 1.269 -1.240) 4.453 2.241 ( 3.851 4.946 4.633) 7.794 2.313 ( 4.001 -3.007 4.859) 6.976 2.322 ( -2.480 3.972 0.435) 4.703 2.444 ( 0.105 1.127 3.912) 4.072 2.603 ( 0.241 0.031 -4.740) 4.746 2.723 ( -9.594 -0.423 5.743) 11.190 2.805 ( -3.986 -0.260 -4.080) 5.710 3.002 ( 3.016 0.804 -0.725) 3.205 3.053 ( -2.504 -0.414 -1.900) 3.170 3.125 ( -8.993 -1.385 -2.265) 9.376 3.317 ( 8.567 0.837 11.083) 14.033 3.547 ( -5.177 0.533 0.309) 5.214 3.826 ( -2.731 1.017 -3.281) 4.388 3.949 ( -3.842 0.720 -7.839) 8.760 4.575 ( -2.096 0.271 5.291) 5.698 4.674 ( -7.226 -0.857 2.080) 7.568 4.881 ( -7.708 -2.504 10.930) 13.607 5.247 ( 0.896 -0.624 -2.900) 3.099 5.400 ( -7.953 -2.099 -7.069) 10.846 5.533 ( -3.587 -0.234 -1.131) 3.768 5.923 ( 6.154 1.046 4.326) 7.595 6.183 ( -7.494 -2.829 12.469) 14.820 6.743 ( -2.770 0.600 -13.037) 13.341 7.009 ( -3.849 0.246 1.064) 4.001 7.297 ( -0.973 1.044 -22.122) 22.168 7.633 ( -0.365 -1.667 -0.603) 1.810 7.911 ( -9.602 1.230 16.359) 19.009 9.114 ( 6.273 0.939 -10.917) 12.625 9.182 ( -3.365 0.116 9.976) 10.528 10.028 ( 12.525 -0.467 1.515) 12.625 10.114 ( 16.642 -0.100 0.576) 16.652 12.526 ( 1.205 -0.174 0.771) 1.441 12.865 ( -2.608 -0.067 -3.114) 4.063 14.604 ( 7.835 2.672 13.807) 16.098 14.703 ( 4.854 0.722 4.588) 6.718 15.173 ( 4.869 -0.254 -8.694) 9.968 15.569 ( 0.849 -1.203 -9.902) 10.011 15.847 ( -1.110 0.100 -3.487) 3.661 16.690 ( -4.196 0.319 -0.212) 4.214 17.023 ( -12.621 2.516 5.014) 13.811 17.097 ( -11.694 -4.021 4.409) 13.128 17.798 ( 6.565 1.439 -7.747) 10.256 18.042 ( 2.634 -2.054 3.581) 4.897======================= Grid point 350 (166/172) =======================q-point: (-0.50 0.30 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( 2.488 3.121 2.499) 4.709 1.572 ( 2.089 -1.410 -1.590) 2.980 1.737 ( -0.506 -5.271 -3.850) 6.547 1.877 ( -1.450 0.843 0.215) 1.691 2.045 ( -2.979 3.359 1.119) 4.627 2.198 ( -3.933 7.171 1.986) 8.417 2.272 ( 2.778 4.474 1.671) 5.525 2.415 ( -1.992 -0.295 5.068) 5.454 2.454 ( 1.126 2.142 4.141) 4.796 2.568 ( -1.833 -2.257 -0.742) 3.001 2.609 ( -0.504 0.141 -5.728) 5.752 2.731 ( -2.999 0.874 -3.862) 4.967 2.862 ( -15.812 -0.393 0.447) 15.823 2.973 ( -4.138 0.520 -1.746) 4.521 3.093 ( 0.643 -1.858 -2.005) 2.808 3.385 ( -9.184 0.225 7.253) 11.705 3.514 ( 7.307 0.620 12.700) 14.665 3.809 ( 1.935 2.605 -6.881) 7.608 3.905 ( 4.580 0.807 -10.171) 11.184 4.555 ( -2.232 -0.166 1.103) 2.495 4.630 ( 0.661 -0.003 6.794) 6.826 4.801 ( -9.429 -6.503 16.709) 20.258 5.247 ( -4.066 -2.138 -6.974) 8.351 5.260 ( -6.914 -2.883 -6.816) 10.128 5.531 ( 3.147 -1.757 1.551) 3.924 5.957 ( 0.201 2.429 5.412) 5.936 6.182 ( -0.865 -5.109 5.695) 7.700 6.659 ( -3.261 0.301 -17.239) 17.548 6.934 ( -4.628 0.549 4.572) 6.529 7.163 ( -6.583 1.242 -23.919) 24.839 7.656 ( -0.450 -3.444 1.565) 3.810 7.748 ( -9.974 1.686 17.234) 19.983 9.167 ( 2.441 2.366 2.872) 4.450 9.194 ( 3.683 1.561 -3.701) 5.449 10.276 ( 14.499 -0.834 -0.852) 14.548 10.380 ( 13.182 -0.069 2.720) 13.460 12.561 ( 2.270 -0.290 1.455) 2.712 12.809 ( -3.240 -0.150 -3.512) 4.781 14.726 ( 7.421 6.580 15.016) 17.996 14.799 ( 6.169 1.284 4.770) 7.903 15.229 ( 2.485 -1.691 -9.589) 10.049 15.548 ( -3.419 -4.320 -7.559) 9.354 15.873 ( 5.567 0.623 -6.471) 8.559 16.569 ( -9.239 1.726 6.220) 11.271 16.817 ( -9.717 -0.050 -0.613) 9.736 16.923 ( -12.922 -3.494 3.175) 13.758 17.889 ( 8.073 2.929 -7.758) 11.573 18.124 ( 1.984 -3.981 4.213) 6.126======================= Grid point 351 (167/172) =======================q-point: (-0.40 0.30 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 1.683 5.232 1.533) 5.705 1.576 ( -1.213 3.444 -1.428) 3.920 1.773 ( 1.088 -2.458 -4.449) 5.198 1.853 ( -1.831 0.406 2.748) 3.327 1.935 ( -3.852 3.299 0.158) 5.074 2.050 ( -6.499 3.932 2.502) 7.997 2.297 ( 0.372 0.839 0.409) 1.005 2.332 ( 3.188 2.737 -0.182) 4.206 2.447 ( -5.869 2.855 5.290) 8.401 2.546 ( -2.876 3.504 -4.325) 6.266 2.592 ( -3.140 -1.108 2.666) 4.266 2.668 ( -0.020 -1.157 -6.230) 6.336 2.731 ( 1.511 0.149 1.286) 1.990 2.883 ( -5.577 0.124 -2.374) 6.062 3.101 ( 0.360 -1.145 -3.964) 4.141 3.231 ( -9.424 -1.038 9.224) 13.228 3.650 ( 6.708 2.756 11.981) 14.005 3.782 ( -0.160 2.364 -6.235) 6.670 4.076 ( 14.861 -1.729 -13.372) 20.066 4.556 ( -11.255 -0.894 12.297) 16.694 4.576 ( 3.018 -1.835 4.162) 5.459 4.784 ( -3.355 -4.875 7.288) 9.389 5.127 ( -5.770 -4.617 -7.776) 10.727 5.206 ( -4.643 -2.385 -3.871) 6.498 5.664 ( 8.280 -2.784 3.301) 9.338 5.932 ( -3.472 -0.410 1.620) 3.854 6.245 ( 4.055 -2.320 3.575) 5.883 6.544 ( -6.956 -0.133 -13.088) 14.822 6.874 ( -2.410 0.588 7.545) 7.943 6.999 ( -6.067 0.526 -18.546) 19.520 7.640 ( -3.147 0.086 10.794) 11.243 7.678 ( -2.163 -3.993 1.082) 4.669 9.189 ( 1.853 3.482 5.931) 7.123 9.215 ( 2.198 3.557 -6.427) 7.667 10.503 ( 10.357 -0.793 -2.807) 10.760 10.561 ( 6.563 -0.073 3.685) 7.527 12.614 ( 3.170 -0.396 2.049) 3.795 12.745 ( -3.531 -0.306 -3.220) 4.788 14.789 ( 5.239 8.891 11.824) 15.694 14.877 ( 3.151 4.555 0.427) 5.555 15.283 ( 4.414 -5.103 -7.437) 10.041 15.520 ( -6.325 -9.379 -1.369) 11.395 15.992 ( 11.029 1.555 -9.181) 14.434 16.392 ( -11.366 1.042 11.622) 16.290 16.681 ( -6.051 -0.240 -1.181) 6.170 16.748 ( -9.323 -1.493 -1.048) 9.500 17.996 ( 8.467 1.858 -7.127) 11.222 18.170 ( -1.980 -3.219 4.436) 5.828======================= Grid point 352 (168/172) =======================q-point: (-0.30 0.30 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.475 ( 0.729 6.416 -10.552) 12.371 1.475 ( -0.729 6.416 10.552) 12.371 1.771 ( 2.935 7.225 -7.910) 11.108 1.771 ( -2.935 7.225 7.910) 11.108 1.960 ( -2.259 -3.796 0.228) 4.423 1.960 ( 2.259 -3.796 -0.228) 4.423 2.313 ( 0.777 3.443 -2.655) 4.417 2.313 ( -0.777 3.443 2.655) 4.417 2.421 ( -2.875 0.458 -3.676) 4.689 2.421 ( 2.875 0.458 3.676) 4.689 2.633 ( -4.966 0.358 -4.241) 6.541 2.633 ( 4.966 0.358 4.241) 6.541 2.789 ( -3.096 -0.304 -5.402) 6.234 2.789 ( 3.096 -0.304 5.402) 6.234 3.136 ( 3.873 -0.879 -5.714) 6.959 3.136 ( -3.873 -0.879 5.714) 6.959 3.729 ( -2.437 2.524 -8.378) 9.083 3.729 ( 2.437 2.524 8.378) 9.083 4.349 ( 12.834 -2.892 -14.345) 19.464 4.349 ( -12.834 -2.892 14.345) 19.464 4.712 ( -8.143 -2.793 -3.203) 9.185 4.712 ( 8.143 -2.793 3.203) 9.185 5.149 ( -3.468 -3.876 0.446) 5.220 5.149 ( 3.468 -3.876 -0.446) 5.220 5.843 ( -5.124 -2.580 -5.566) 7.993 5.843 ( 5.124 -2.580 5.566) 7.993 6.382 ( -5.980 -0.037 -9.758) 11.445 6.382 ( 5.980 -0.037 9.758) 11.445 6.888 ( -1.620 0.539 -13.467) 13.575 6.888 ( 1.620 0.539 13.467) 13.575 7.668 ( -2.203 -3.294 -3.598) 5.353 7.668 ( 2.203 -3.294 3.598) 5.353 9.183 ( 0.875 4.490 -11.050) 11.959 9.183 ( -0.875 4.490 11.050) 11.959 10.612 ( 1.924 -0.472 -3.562) 4.076 10.612 ( -1.924 -0.472 3.562) 4.076 12.682 ( -3.551 -0.559 -2.606) 4.440 12.682 ( 3.551 -0.559 2.606) 4.440 14.804 ( -3.181 7.919 -7.152) 11.135 14.804 ( 3.181 7.919 7.152) 11.135 15.471 ( -1.274 -9.347 -2.022) 9.648 15.471 ( 1.274 -9.347 2.022) 9.648 16.185 ( 14.310 1.001 -11.357) 18.296 16.185 ( -14.310 1.001 11.357) 18.296 16.644 ( -2.044 0.236 -4.459) 4.911 16.644 ( 2.044 0.236 4.459) 4.911 18.117 ( 3.489 -0.764 -9.869) 10.495 18.117 ( -3.489 -0.764 9.869) 10.495======================= Grid point 360 (169/172) =======================q-point: (-0.60 0.40 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( 3.556 0.000 3.466) 4.966 1.553 ( 3.675 0.000 -1.883) 4.129 1.681 ( -1.154 -0.000 -4.380) 4.529 1.880 ( -2.195 -0.000 1.196) 2.499 2.084 ( -2.176 -0.000 1.143) 2.458 2.272 ( -5.682 -0.000 0.596) 5.714 2.329 ( 2.667 0.000 0.753) 2.771 2.389 ( 0.856 0.000 5.707) 5.771 2.499 ( 4.784 0.000 -2.104) 5.226 2.508 ( -6.886 -0.000 4.644) 8.306 2.624 ( -0.872 -0.000 -3.705) 3.807 2.740 ( -3.177 -0.000 -4.667) 5.646 2.865 ( -15.379 -0.000 -0.209) 15.380 2.977 ( -4.100 -0.000 -2.233) 4.669 3.074 ( 1.933 0.000 -0.073) 1.934 3.382 ( -11.948 -0.000 4.738) 12.853 3.523 ( 10.013 0.000 13.473) 16.786 3.833 ( 0.979 0.000 -6.799) 6.869 3.914 ( 4.030 0.000 -10.447) 11.198 4.557 ( -3.933 -0.000 -1.017) 4.063 4.629 ( 4.963 0.000 8.701) 10.017 4.739 ( -11.862 -0.000 18.374) 21.871 5.219 ( -9.720 -0.000 -9.013) 13.256 5.240 ( -1.292 -0.000 -4.991) 5.156 5.515 ( 2.678 0.000 1.711) 3.178 5.991 ( -0.828 -0.000 4.417) 4.494 6.123 ( 0.478 0.000 6.459) 6.476 6.661 ( -3.732 -0.000 -17.321) 17.718 6.940 ( -4.655 -0.000 5.178) 6.963 7.173 ( -7.284 -0.000 -23.804) 24.894 7.625 ( 0.001 0.000 0.107) 0.107 7.764 ( -10.704 -0.000 18.238) 21.147 9.190 ( 1.186 0.000 10.083) 10.152 9.208 ( 5.809 0.000 -10.947) 12.392 10.268 ( 14.636 0.000 -0.999) 14.670 10.380 ( 13.203 0.000 2.992) 13.537 12.558 ( 2.303 0.000 1.445) 2.719 12.807 ( -3.236 -0.000 -3.573) 4.821 14.784 ( 8.664 0.000 11.698) 14.557 14.824 ( 6.448 0.000 11.738) 13.392 15.201 ( 0.610 0.000 -9.072) 9.092 15.511 ( -4.548 -0.000 -12.697) 13.487 15.879 ( 6.145 0.000 -7.015) 9.326 16.582 ( -9.100 -0.000 4.259) 10.047 16.830 ( -10.991 -0.000 2.685) 11.315 16.880 ( -11.361 -0.000 2.514) 11.636 17.921 ( 8.035 0.000 -9.075) 12.121 18.082 ( 1.968 0.000 6.268) 6.570======================= Grid point 362 (170/172) =======================q-point: (-0.50 0.40 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 300Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( 2.272 3.612 2.119) 4.764 1.608 ( 1.969 0.068 -0.888) 2.161 1.692 ( 2.349 -3.572 -3.781) 5.707 1.843 ( -2.768 -0.598 1.488) 3.199 2.009 ( -3.867 2.893 -0.754) 4.888 2.110 ( -10.720 1.503 4.815) 11.847 2.305 ( -2.644 0.365 -1.750) 3.192 2.367 ( 1.188 0.851 -0.684) 1.614 2.489 ( -4.702 1.236 2.054) 5.277 2.536 ( -1.246 -1.352 2.648) 3.224 2.620 ( 2.360 1.694 0.277) 2.918 2.663 ( -0.620 0.084 -5.703) 5.737 2.762 ( 2.307 2.106 -2.009) 3.714 2.891 ( -5.119 0.339 -1.480) 5.340 3.082 ( -0.299 -0.688 -2.914) 3.009 3.201 ( -9.825 -1.639 8.316) 12.976 3.692 ( 6.530 1.480 12.580) 14.250 3.811 ( -0.488 0.852 -6.347) 6.423 4.055 ( 13.281 -0.530 -14.867) 19.942 4.527 ( -13.943 -1.292 20.101) 24.497 4.562 ( 2.136 -0.219 -1.369) 2.547 4.734 ( 1.801 -1.143 7.943) 8.224 5.061 ( -5.899 -2.191 -7.346) 9.672 5.176 ( -5.155 -0.878 -5.309) 7.452 5.628 ( 8.373 -1.112 2.988) 8.959 5.927 ( -6.252 -0.089 2.004) 6.566 6.210 ( 6.822 -1.220 4.455) 8.238 6.540 ( -7.144 -0.207 -14.003) 15.721 6.883 ( -2.905 0.284 9.814) 10.239 7.003 ( -6.425 0.008 -20.975) 21.937 7.626 ( -0.430 -1.237 -2.472) 2.797 7.649 ( -5.537 0.110 14.549) 15.567 9.233 ( 1.747 1.333 9.694) 9.940 9.260 ( 3.046 1.339 -10.151) 10.683 10.493 ( 10.751 -0.270 -3.155) 11.208 10.561 ( 6.436 -0.021 4.202) 7.686 12.610 ( 3.209 -0.113 2.089) 3.830 12.742 ( -3.547 -0.073 -3.343) 4.875 14.934 ( 5.286 4.395 11.920) 13.760 14.946 ( 8.564 4.437 9.451) 13.503 15.186 ( -1.222 -5.059 -8.421) 9.899 15.390 ( -8.010 -4.201 -10.433) 13.808 16.012 ( 10.910 0.560 -10.322) 15.030 16.402 ( -12.554 0.200 10.004) 16.054 16.687 ( -5.202 0.596 -0.974) 5.326 16.723 ( -7.691 -1.147 1.221) 7.871 18.026 ( 6.817 1.223 -8.852) 11.239 18.123 ( -0.379 -1.748 7.239) 7.457======================= Grid point 363 (171/172) =======================q-point: (-0.40 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( 0.478 4.098 -7.655) 8.696 1.573 ( -0.478 4.098 7.655) 8.696 1.789 ( 3.296 -2.328 -2.127) 4.562 1.789 ( -3.296 -2.328 2.127) 4.562 1.971 ( 4.211 2.523 -4.527) 6.678 1.971 ( -4.211 2.523 4.527) 6.678 2.325 ( 3.266 -1.140 -3.206) 4.716 2.325 ( -3.266 -1.140 3.206) 4.716 2.467 ( -1.566 3.591 -2.992) 4.929 2.467 ( 1.566 3.591 2.992) 4.929 2.649 ( -1.110 1.035 -4.410) 4.664 2.649 ( 1.110 1.035 4.410) 4.664 2.801 ( -3.610 1.580 -1.255) 4.136 2.801 ( 3.610 1.580 1.255) 4.136 3.112 ( 4.300 -1.837 -7.107) 8.508 3.112 ( -4.300 -1.837 7.107) 8.508 3.769 ( -2.119 1.842 -8.895) 9.328 3.769 ( 2.119 1.842 8.895) 9.328 4.299 ( 15.994 -2.279 -17.516) 23.829 4.299 ( -15.994 -2.279 17.516) 23.829 4.681 ( -7.227 -0.971 -0.564) 7.314 4.681 ( 7.227 -0.971 0.564) 7.314 5.086 ( -4.836 -2.793 -1.672) 5.829 5.086 ( 4.836 -2.793 1.672) 5.829 5.802 ( -7.420 -1.757 -2.963) 8.181 5.802 ( 7.420 -1.757 2.963) 8.181 6.374 ( -8.504 -0.584 -8.421) 11.982 6.374 ( 8.504 -0.584 8.421) 11.982 6.893 ( -1.692 0.111 -15.494) 15.587 6.893 ( 1.692 0.111 15.494) 15.587 7.627 ( 0.339 -1.367 -7.276) 7.411 7.627 ( -0.339 -1.367 7.276) 7.411 9.249 ( 0.374 2.720 -10.575) 10.925 9.249 ( -0.374 2.720 10.575) 10.925 10.605 ( 2.405 -0.213 -4.130) 4.784 10.605 ( -2.405 -0.213 4.130) 4.784 12.675 ( -3.584 -0.201 -2.710) 4.498 12.675 ( 3.584 -0.201 2.710) 4.498 14.951 ( -1.352 8.319 -6.615) 10.714 14.951 ( 1.352 8.319 6.615) 10.714 15.303 ( -3.105 -9.180 -5.483) 11.135 15.303 ( 3.105 -9.180 5.483) 11.135 16.197 ( 13.222 0.371 -11.477) 17.513 16.197 ( -13.222 0.371 11.477) 17.513 16.647 ( -0.563 0.116 -2.909) 2.965 16.647 ( 0.563 0.116 2.909) 2.965 18.106 ( 3.472 -0.476 -9.783) 10.392 18.106 ( -3.472 -0.476 9.783) 10.392======================= Grid point 374 (172/172) =======================q-point: ( 0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 86Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( -0.035 0.000 -5.175) 5.175 1.610 ( 0.035 0.000 5.175) 5.175 1.766 ( -6.206 0.000 1.532) 6.393 1.766 ( 6.206 0.000 -1.532) 6.393 1.993 ( 2.371 0.000 -3.921) 4.583 1.993 ( -2.371 0.000 3.921) 4.583 2.311 ( 3.994 0.000 -2.842) 4.902 2.311 ( -3.994 0.000 2.842) 4.902 2.504 ( 3.427 0.000 -2.027) 3.981 2.504 ( -3.427 0.000 2.027) 3.981 2.660 ( 0.095 0.000 -5.451) 5.452 2.660 ( -0.095 0.000 5.451) 5.452 2.824 ( -2.771 0.000 0.181) 2.777 2.824 ( 2.771 0.000 -0.181) 2.777 3.088 ( 3.638 0.000 -5.898) 6.929 3.088 ( -3.638 0.000 5.898) 6.929 3.787 ( -1.724 0.000 -8.686) 8.855 3.787 ( 1.724 0.000 8.686) 8.855 4.277 ( 16.216 0.000 -18.364) 24.499 4.277 ( -16.216 0.000 18.364) 24.499 4.672 ( -7.950 0.000 0.650) 7.976 4.672 ( 7.950 0.000 -0.650) 7.976 5.059 ( -5.681 0.000 -2.762) 6.317 5.059 ( 5.681 0.000 2.762) 6.317 5.785 ( -9.265 0.000 -1.342) 9.362 5.785 ( 9.265 0.000 1.342) 9.362 6.368 ( -9.559 0.000 -7.973) 12.447 6.368 ( 9.559 0.000 7.973) 12.447 6.894 ( -1.598 0.000 -16.286) 16.365 6.894 ( 1.598 0.000 16.286) 16.365 7.615 ( 1.298 0.000 -8.658) 8.754 7.615 ( -1.298 0.000 8.658) 8.754 9.274 ( 0.203 0.000 -10.378) 10.380 9.274 ( -0.203 0.000 10.378) 10.380 10.604 ( 2.572 0.000 -4.362) 5.064 10.604 ( -2.572 0.000 4.362) 5.064 12.674 ( -3.598 0.000 -2.766) 4.539 12.674 ( 3.598 0.000 2.766) 4.539 15.067 ( -4.965 0.000 -10.771) 11.861 15.067 ( 4.965 0.000 10.771) 11.861 15.179 ( -10.427 -0.000 -13.690) 17.208 15.179 ( 10.427 -0.000 13.690) 17.208 16.200 ( 12.815 0.000 -11.458) 17.190 16.200 ( -12.815 0.000 11.458) 17.190 16.648 ( 0.915 0.000 -2.034) 2.230 16.648 ( -0.915 0.000 2.034) 2.230 18.101 ( 3.442 0.000 -9.637) 10.234 18.101 ( -3.442 0.000 9.637) 10.234=================== 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 3/28800 10.0 182.967 220.769 137.575 -0.000 -11.661 0.000 3/28800 20.0 19.218 21.164 15.889 -0.000 -1.609 0.000 3/28800 30.0 7.530 8.042 6.323 -0.000 -0.682 0.000 3/28800 40.0 4.539 4.648 3.779 -0.000 -0.428 0.000 3/28800 50.0 3.273 3.219 2.719 -0.000 -0.318 0.000 3/28800 60.0 2.594 2.457 2.172 -0.000 -0.259 0.000 3/28800 70.0 2.178 1.991 1.847 -0.000 -0.223 0.000 3/28800 80.0 1.899 1.678 1.633 -0.000 -0.198 0.000 3/28800 90.0 1.699 1.453 1.480 -0.000 -0.181 0.000 3/28800 100.0 1.546 1.284 1.361 -0.000 -0.167 0.000 3/28800 110.0 1.425 1.152 1.265 -0.000 -0.156 0.000 3/28800 120.0 1.325 1.046 1.185 -0.000 -0.146 0.000 3/28800 130.0 1.241 0.959 1.115 -0.000 -0.138 0.000 3/28800 140.0 1.168 0.885 1.054 -0.000 -0.131 0.000 3/28800 150.0 1.104 0.823 1.000 -0.000 -0.125 0.000 3/28800 160.0 1.048 0.769 0.951 -0.000 -0.119 0.000 3/28800 170.0 0.997 0.723 0.907 -0.000 -0.114 0.000 3/28800 180.0 0.952 0.681 0.867 -0.000 -0.109 0.000 3/28800 190.0 0.911 0.645 0.831 -0.000 -0.105 0.000 3/28800 200.0 0.873 0.612 0.797 -0.000 -0.101 0.000 3/28800 210.0 0.839 0.583 0.767 -0.000 -0.098 0.000 3/28800 220.0 0.807 0.556 0.738 -0.000 -0.095 0.000 3/28800 230.0 0.778 0.532 0.712 -0.000 -0.092 0.000 3/28800 240.0 0.750 0.510 0.687 -0.000 -0.089 0.000 3/28800 250.0 0.725 0.490 0.664 -0.000 -0.086 0.000 3/28800 260.0 0.701 0.471 0.643 -0.000 -0.084 0.000 3/28800 270.0 0.679 0.454 0.622 -0.000 -0.081 0.000 3/28800 280.0 0.658 0.438 0.604 -0.000 -0.079 0.000 3/28800 290.0 0.639 0.423 0.586 -0.000 -0.077 0.000 3/28800 300.0 0.620 0.409 0.569 -0.000 -0.075 0.000 3/28800 310.0 0.603 0.396 0.553 -0.000 -0.073 0.000 3/28800 320.0 0.586 0.384 0.538 -0.000 -0.072 0.000 3/28800 330.0 0.571 0.372 0.524 -0.000 -0.070 0.000 3/28800 340.0 0.556 0.361 0.510 -0.000 -0.068 0.000 3/28800 350.0 0.542 0.351 0.497 -0.000 -0.067 0.000 3/28800 360.0 0.529 0.342 0.485 -0.000 -0.065 0.000 3/28800 370.0 0.516 0.333 0.474 -0.000 -0.064 0.000 3/28800 380.0 0.504 0.324 0.462 -0.000 -0.062 0.000 3/28800 390.0 0.492 0.316 0.452 -0.000 -0.061 0.000 3/28800 400.0 0.481 0.308 0.442 -0.000 -0.060 0.000 3/28800 410.0 0.470 0.301 0.432 -0.000 -0.059 0.000 3/28800 420.0 0.460 0.294 0.423 -0.000 -0.058 0.000 3/28800 430.0 0.451 0.287 0.414 -0.000 -0.057 0.000 3/28800 440.0 0.441 0.281 0.405 -0.000 -0.055 0.000 3/28800 450.0 0.432 0.274 0.397 -0.000 -0.054 0.000 3/28800 460.0 0.424 0.269 0.389 -0.000 -0.053 0.000 3/28800 470.0 0.416 0.263 0.382 -0.000 -0.052 0.000 3/28800 480.0 0.408 0.258 0.374 -0.000 -0.052 0.000 3/28800 490.0 0.400 0.252 0.367 -0.000 -0.051 0.000 3/28800 500.0 0.393 0.247 0.360 -0.000 -0.050 0.000 3/28800 510.0 0.385 0.243 0.354 -0.000 -0.049 0.000 3/28800 520.0 0.379 0.238 0.348 -0.000 -0.048 0.000 3/28800 530.0 0.372 0.234 0.342 -0.000 -0.047 0.000 3/28800 540.0 0.365 0.229 0.336 -0.000 -0.047 0.000 3/28800 550.0 0.359 0.225 0.330 -0.000 -0.046 0.000 3/28800 560.0 0.353 0.221 0.324 -0.000 -0.045 0.000 3/28800 570.0 0.348 0.217 0.319 -0.000 -0.044 0.000 3/28800 580.0 0.342 0.214 0.314 -0.000 -0.044 0.000 3/28800 590.0 0.336 0.210 0.309 -0.000 -0.043 0.000 3/28800 600.0 0.331 0.207 0.304 -0.000 -0.043 0.000 3/28800 610.0 0.326 0.203 0.300 -0.000 -0.042 0.000 3/28800 620.0 0.321 0.200 0.295 -0.000 -0.041 0.000 3/28800 630.0 0.316 0.197 0.291 -0.000 -0.041 0.000 3/28800 640.0 0.312 0.194 0.286 -0.000 -0.040 0.000 3/28800 650.0 0.307 0.191 0.282 -0.000 -0.040 0.000 3/28800 660.0 0.303 0.188 0.278 -0.000 -0.039 0.000 3/28800 670.0 0.298 0.185 0.274 -0.000 -0.039 0.000 3/28800 680.0 0.294 0.183 0.270 -0.000 -0.038 0.000 3/28800 690.0 0.290 0.180 0.267 -0.000 -0.038 0.000 3/28800 700.0 0.286 0.178 0.263 -0.000 -0.037 0.000 3/28800 710.0 0.282 0.175 0.259 -0.000 -0.037 0.000 3/28800 720.0 0.279 0.173 0.256 -0.000 -0.036 0.000 3/28800 730.0 0.275 0.170 0.253 -0.000 -0.036 0.000 3/28800 740.0 0.272 0.168 0.249 -0.000 -0.035 0.000 3/28800 750.0 0.268 0.166 0.246 -0.000 -0.035 0.000 3/28800 760.0 0.265 0.164 0.243 -0.000 -0.034 0.000 3/28800 770.0 0.261 0.162 0.240 -0.000 -0.034 0.000 3/28800 780.0 0.258 0.160 0.237 -0.000 -0.034 0.000 3/28800 790.0 0.255 0.158 0.234 -0.000 -0.033 0.000 3/28800 800.0 0.252 0.156 0.231 -0.000 -0.033 0.000 3/28800 810.0 0.249 0.154 0.229 -0.000 -0.032 0.000 3/28800 820.0 0.246 0.152 0.226 -0.000 -0.032 0.000 3/28800 830.0 0.243 0.150 0.223 -0.000 -0.032 0.000 3/28800 840.0 0.241 0.148 0.221 -0.000 -0.031 0.000 3/28800 850.0 0.238 0.146 0.218 -0.000 -0.031 0.000 3/28800 860.0 0.235 0.145 0.216 -0.000 -0.031 0.000 3/28800 870.0 0.233 0.143 0.214 -0.000 -0.030 0.000 3/28800 880.0 0.230 0.142 0.211 -0.000 -0.030 0.000 3/28800 890.0 0.228 0.140 0.209 -0.000 -0.030 0.000 3/28800 900.0 0.225 0.138 0.207 -0.000 -0.029 0.000 3/28800 910.0 0.223 0.137 0.204 -0.000 -0.029 0.000 3/28800 920.0 0.220 0.135 0.202 -0.000 -0.029 0.000 3/28800 930.0 0.218 0.134 0.200 -0.000 -0.029 0.000 3/28800 940.0 0.216 0.133 0.198 -0.000 -0.028 0.000 3/28800 950.0 0.214 0.131 0.196 -0.000 -0.028 0.000 3/28800 960.0 0.211 0.130 0.194 -0.000 -0.028 0.000 3/28800 970.0 0.209 0.129 0.192 -0.000 -0.027 0.000 3/28800 980.0 0.207 0.127 0.190 -0.000 -0.027 0.000 3/28800 990.0 0.205 0.126 0.188 -0.000 -0.027 0.000 3/28800 1000.0 0.203 0.125 0.187 -0.000 -0.027 0.000 3/28800Thermal conductivity related properties were written into "kappa-m10106.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:30:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|