----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:52:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 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 5.217998047581950 -3.491841900000000 0.000000000000000 b 5.217998047581950 3.491841900000000 0.000000000000000 c -3.280543942030026 0.000000000000000 7.601130494506580 Atomic positions (fractional): *1 Ba 0.10231643605341 0.89768356394659 0.25000000000000 137.327 2 Ba 0.89768356394659 0.10231643605341 0.75000000000000 137.327 *3 H 0.76536903923939 0.40827480594146 0.44623488061973 1.008 4 H 0.59172519405854 0.23463096076061 0.05376511938027 1.008 5 H 0.23463096076061 0.59172519405854 0.55376511938027 1.008 6 H 0.40827480594146 0.76536903923939 0.94623488061973 1.008 *7 H 0.60300371291477 0.24326217493708 0.36480508374268 1.008 8 H 0.75673782506292 0.39699628708523 0.13519491625732 1.008 9 H 0.39699628708523 0.75673782506292 0.63519491625732 1.008 10 H 0.24326217493708 0.60300371291477 0.86480508374268 1.008 *11 Br 0.69771438209243 0.73758460006189 0.35402246764239 79.904 12 Br 0.26241539993811 0.30228561790757 0.14597753235761 79.904 13 Br 0.30228561790757 0.26241539993811 0.64597753235761 79.904 14 Br 0.73758460006189 0.69771438209243 0.85402246764239 79.904 *15 O 0.76253489529720 0.24811460593541 0.44022747525940 15.999 16 O 0.75188539406459 0.23746510470279 0.05977252474060 15.999 17 O 0.23746510470280 0.75188539406459 0.55977252474060 15.999 18 O 0.24811460593541 0.76253489529720 0.94022747525940 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.435996095163899 0.000000000000000 0.000000000000000 b 0.000000000000000 6.983683800000000 0.000000000000000 c -3.280543942030026 0.000000000000000 7.601130494506580 Atomic positions (fractional): *1 Ba 0.00000000000000 0.89768356394659 0.25000000000000 137.327 > 1 2 Ba 0.00000000000000 0.10231643605341 0.75000000000000 137.327 > 2 3 Ba 0.50000000000000 0.39768356394659 0.25000000000000 137.327 > 1 4 Ba 0.50000000000000 0.60231643605341 0.75000000000000 137.327 > 2 *5 H 0.08682192259042 0.32145288335103 0.44623488061973 1.008 > 3 6 H 0.91317807740958 0.32145288335103 0.05376511938027 1.008 > 4 7 H 0.91317807740958 0.67854711664897 0.55376511938027 1.008 > 5 8 H 0.08682192259042 0.67854711664897 0.94623488061973 1.008 > 6 *9 H 0.92313294392592 0.32012923101116 0.36480508374268 1.008 > 7 10 H 0.07686705607408 0.32012923101116 0.13519491625732 1.008 > 8 11 H 0.07686705607408 0.67987076898884 0.63519491625732 1.008 > 9 12 H 0.92313294392592 0.67987076898884 0.86480508374268 1.008 > 10 13 H 0.58682192259042 0.82145288335103 0.44623488061973 1.008 > 3 14 H 0.41317807740958 0.82145288335103 0.05376511938027 1.008 > 4 15 H 0.41317807740958 0.17854711664897 0.55376511938027 1.008 > 5 16 H 0.58682192259042 0.17854711664897 0.94623488061973 1.008 > 6 17 H 0.42313294392592 0.82012923101116 0.36480508374268 1.008 > 7 18 H 0.57686705607408 0.82012923101116 0.13519491625732 1.008 > 8 19 H 0.57686705607408 0.17987076898884 0.63519491625732 1.008 > 9 20 H 0.42313294392592 0.17987076898884 0.86480508374268 1.008 > 10 *21 Br 0.21764949107716 0.51993510898473 0.35402246764239 79.904 > 11 22 Br 0.78235050892284 0.51993510898473 0.14597753235761 79.904 > 12 23 Br 0.78235050892284 0.48006489101527 0.64597753235761 79.904 > 13 24 Br 0.21764949107716 0.48006489101527 0.85402246764239 79.904 > 14 25 Br 0.71764949107716 0.01993510898473 0.35402246764239 79.904 > 11 26 Br 0.28235050892284 0.01993510898473 0.14597753235761 79.904 > 12 27 Br 0.28235050892284 0.98006489101527 0.64597753235761 79.904 > 13 28 Br 0.71764949107716 0.98006489101527 0.85402246764239 79.904 > 14 *29 O 0.00532475061631 0.24278985531910 0.44022747525940 15.999 > 15 30 O 0.99467524938369 0.24278985531910 0.05977252474060 15.999 > 16 31 O 0.99467524938369 0.75721014468090 0.55977252474060 15.999 > 17 32 O 0.00532475061631 0.75721014468090 0.94022747525940 15.999 > 18 33 O 0.50532475061631 0.74278985531910 0.44022747525940 15.999 > 15 34 O 0.49467524938369 0.74278985531910 0.05977252474060 15.999 > 16 35 O 0.49467524938369 0.25721014468090 0.55977252474060 15.999 > 17 36 O 0.50532475061631 0.25721014468090 0.94022747525940 15.999 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.435996095163899 0.000000000000000 0.000000000000000 b 0.000000000000000 13.967367599999999 0.000000000000000 c -6.561087884060052 0.000000000000000 15.202260989013160 Atomic positions (fractional): *1 Ba 0.00000000000000 0.44884178197329 0.12500000000000 137.327 > 1 2 Ba 0.00000000000000 0.94884178197329 0.12500000000000 137.327 > 1 3 Ba 0.00000000000000 0.44884178197329 0.62500000000000 137.327 > 1 4 Ba 0.00000000000000 0.94884178197329 0.62500000000000 137.327 > 1 5 Ba 0.00000000000000 0.05115821802671 0.37500000000000 137.327 > 2 6 Ba 0.00000000000000 0.55115821802671 0.37500000000000 137.327 > 2 7 Ba 0.00000000000000 0.05115821802671 0.87500000000000 137.327 > 2 8 Ba 0.00000000000000 0.55115821802671 0.87500000000000 137.327 > 2 9 Ba 0.50000000000000 0.19884178197329 0.12500000000000 137.327 > 1 10 Ba 0.50000000000000 0.69884178197329 0.12500000000000 137.327 > 1 11 Ba 0.50000000000000 0.19884178197329 0.62500000000000 137.327 > 1 12 Ba 0.50000000000000 0.69884178197329 0.62500000000000 137.327 > 1 13 Ba 0.50000000000000 0.30115821802671 0.37500000000000 137.327 > 2 14 Ba 0.50000000000000 0.80115821802671 0.37500000000000 137.327 > 2 15 Ba 0.50000000000000 0.30115821802671 0.87500000000000 137.327 > 2 16 Ba 0.50000000000000 0.80115821802671 0.87500000000000 137.327 > 2 *17 H 0.08682192259042 0.16072644167552 0.22311744030987 1.008 > 3 18 H 0.08682192259042 0.66072644167552 0.22311744030987 1.008 > 3 19 H 0.08682192259042 0.16072644167552 0.72311744030987 1.008 > 3 20 H 0.08682192259042 0.66072644167552 0.72311744030987 1.008 > 3 21 H 0.91317807740958 0.16072644167552 0.02688255969013 1.008 > 4 22 H 0.91317807740958 0.66072644167552 0.02688255969013 1.008 > 4 23 H 0.91317807740958 0.16072644167552 0.52688255969013 1.008 > 4 24 H 0.91317807740958 0.66072644167552 0.52688255969013 1.008 > 4 25 H 0.91317807740958 0.33927355832448 0.27688255969013 1.008 > 5 26 H 0.91317807740958 0.83927355832448 0.27688255969013 1.008 > 5 27 H 0.91317807740958 0.33927355832448 0.77688255969013 1.008 > 5 28 H 0.91317807740958 0.83927355832448 0.77688255969013 1.008 > 5 29 H 0.08682192259042 0.33927355832448 0.47311744030987 1.008 > 6 30 H 0.08682192259042 0.83927355832448 0.47311744030987 1.008 > 6 31 H 0.08682192259042 0.33927355832448 0.97311744030987 1.008 > 6 32 H 0.08682192259042 0.83927355832448 0.97311744030987 1.008 > 6 *33 H 0.92313294392592 0.16006461550558 0.18240254187134 1.008 > 7 34 H 0.92313294392592 0.66006461550558 0.18240254187134 1.008 > 7 35 H 0.92313294392592 0.16006461550558 0.68240254187134 1.008 > 7 36 H 0.92313294392592 0.66006461550558 0.68240254187134 1.008 > 7 37 H 0.07686705607408 0.16006461550558 0.06759745812866 1.008 > 8 38 H 0.07686705607408 0.66006461550558 0.06759745812866 1.008 > 8 39 H 0.07686705607408 0.16006461550558 0.56759745812866 1.008 > 8 40 H 0.07686705607408 0.66006461550558 0.56759745812866 1.008 > 8 41 H 0.07686705607408 0.33993538449442 0.31759745812866 1.008 > 9 42 H 0.07686705607408 0.83993538449442 0.31759745812866 1.008 > 9 43 H 0.07686705607408 0.33993538449442 0.81759745812866 1.008 > 9 44 H 0.07686705607408 0.83993538449442 0.81759745812866 1.008 > 9 45 H 0.92313294392592 0.33993538449442 0.43240254187134 1.008 > 10 46 H 0.92313294392592 0.83993538449442 0.43240254187134 1.008 > 10 47 H 0.92313294392592 0.33993538449442 0.93240254187134 1.008 > 10 48 H 0.92313294392592 0.83993538449442 0.93240254187134 1.008 > 10 49 H 0.58682192259042 0.41072644167552 0.22311744030987 1.008 > 3 50 H 0.58682192259042 0.91072644167552 0.22311744030987 1.008 > 3 51 H 0.58682192259042 0.41072644167552 0.72311744030987 1.008 > 3 52 H 0.58682192259042 0.91072644167552 0.72311744030987 1.008 > 3 53 H 0.41317807740958 0.41072644167552 0.02688255969013 1.008 > 4 54 H 0.41317807740958 0.91072644167552 0.02688255969013 1.008 > 4 55 H 0.41317807740958 0.41072644167552 0.52688255969013 1.008 > 4 56 H 0.41317807740958 0.91072644167552 0.52688255969013 1.008 > 4 57 H 0.41317807740958 0.08927355832448 0.27688255969013 1.008 > 5 58 H 0.41317807740958 0.58927355832448 0.27688255969013 1.008 > 5 59 H 0.41317807740958 0.08927355832448 0.77688255969013 1.008 > 5 60 H 0.41317807740958 0.58927355832448 0.77688255969013 1.008 > 5 61 H 0.58682192259042 0.08927355832448 0.47311744030987 1.008 > 6 62 H 0.58682192259042 0.58927355832448 0.47311744030987 1.008 > 6 63 H 0.58682192259042 0.08927355832448 0.97311744030987 1.008 > 6 64 H 0.58682192259042 0.58927355832448 0.97311744030987 1.008 > 6 65 H 0.42313294392592 0.41006461550558 0.18240254187134 1.008 > 7 66 H 0.42313294392592 0.91006461550558 0.18240254187134 1.008 > 7 67 H 0.42313294392592 0.41006461550558 0.68240254187134 1.008 > 7 68 H 0.42313294392592 0.91006461550558 0.68240254187134 1.008 > 7 69 H 0.57686705607408 0.41006461550558 0.06759745812866 1.008 > 8 70 H 0.57686705607408 0.91006461550558 0.06759745812866 1.008 > 8 71 H 0.57686705607408 0.41006461550558 0.56759745812866 1.008 > 8 72 H 0.57686705607408 0.91006461550558 0.56759745812866 1.008 > 8 73 H 0.57686705607408 0.08993538449442 0.31759745812866 1.008 > 9 74 H 0.57686705607408 0.58993538449442 0.31759745812866 1.008 > 9 75 H 0.57686705607408 0.08993538449442 0.81759745812866 1.008 > 9 76 H 0.57686705607408 0.58993538449442 0.81759745812866 1.008 > 9 77 H 0.42313294392592 0.08993538449442 0.43240254187134 1.008 > 10 78 H 0.42313294392592 0.58993538449442 0.43240254187134 1.008 > 10 79 H 0.42313294392592 0.08993538449442 0.93240254187134 1.008 > 10 80 H 0.42313294392592 0.58993538449442 0.93240254187134 1.008 > 10 *81 Br 0.21764949107716 0.25996755449237 0.17701123382120 79.904 > 11 82 Br 0.21764949107716 0.75996755449236 0.17701123382120 79.904 > 11 83 Br 0.21764949107716 0.25996755449237 0.67701123382120 79.904 > 11 84 Br 0.21764949107716 0.75996755449236 0.67701123382120 79.904 > 11 85 Br 0.78235050892284 0.25996755449237 0.07298876617880 79.904 > 12 86 Br 0.78235050892284 0.75996755449236 0.07298876617880 79.904 > 12 87 Br 0.78235050892284 0.25996755449237 0.57298876617880 79.904 > 12 88 Br 0.78235050892284 0.75996755449236 0.57298876617880 79.904 > 12 89 Br 0.78235050892284 0.24003244550764 0.32298876617880 79.904 > 13 90 Br 0.78235050892284 0.74003244550764 0.32298876617880 79.904 > 13 91 Br 0.78235050892284 0.24003244550764 0.82298876617880 79.904 > 13 92 Br 0.78235050892284 0.74003244550764 0.82298876617880 79.904 > 13 93 Br 0.21764949107716 0.24003244550764 0.42701123382120 79.904 > 14 94 Br 0.21764949107716 0.74003244550764 0.42701123382120 79.904 > 14 95 Br 0.21764949107716 0.24003244550764 0.92701123382120 79.904 > 14 96 Br 0.21764949107716 0.74003244550764 0.92701123382120 79.904 > 14 97 Br 0.71764949107716 0.00996755449236 0.17701123382120 79.904 > 11 98 Br 0.71764949107716 0.50996755449236 0.17701123382120 79.904 > 11 99 Br 0.71764949107716 0.00996755449236 0.67701123382120 79.904 > 11 100 Br 0.71764949107716 0.50996755449236 0.67701123382120 79.904 > 11 101 Br 0.28235050892284 0.00996755449236 0.07298876617880 79.904 > 12 102 Br 0.28235050892284 0.50996755449236 0.07298876617880 79.904 > 12 103 Br 0.28235050892284 0.00996755449236 0.57298876617880 79.904 > 12 104 Br 0.28235050892284 0.50996755449236 0.57298876617880 79.904 > 12 105 Br 0.28235050892284 0.49003244550763 0.32298876617880 79.904 > 13 106 Br 0.28235050892284 0.99003244550764 0.32298876617880 79.904 > 13 107 Br 0.28235050892284 0.49003244550763 0.82298876617880 79.904 > 13 108 Br 0.28235050892284 0.99003244550764 0.82298876617880 79.904 > 13 109 Br 0.71764949107716 0.49003244550763 0.42701123382120 79.904 > 14 110 Br 0.71764949107716 0.99003244550764 0.42701123382120 79.904 > 14 111 Br 0.71764949107716 0.49003244550763 0.92701123382120 79.904 > 14 112 Br 0.71764949107716 0.99003244550764 0.92701123382120 79.904 > 14 *113 O 0.00532475061631 0.12139492765955 0.22011373762970 15.999 > 15 114 O 0.00532475061631 0.62139492765955 0.22011373762970 15.999 > 15 115 O 0.00532475061631 0.12139492765955 0.72011373762970 15.999 > 15 116 O 0.00532475061631 0.62139492765955 0.72011373762970 15.999 > 15 117 O 0.99467524938369 0.12139492765955 0.02988626237030 15.999 > 16 118 O 0.99467524938369 0.62139492765955 0.02988626237030 15.999 > 16 119 O 0.99467524938369 0.12139492765955 0.52988626237030 15.999 > 16 120 O 0.99467524938369 0.62139492765955 0.52988626237030 15.999 > 16 121 O 0.99467524938369 0.37860507234045 0.27988626237030 15.999 > 17 122 O 0.99467524938369 0.87860507234045 0.27988626237030 15.999 > 17 123 O 0.99467524938369 0.37860507234045 0.77988626237030 15.999 > 17 124 O 0.99467524938369 0.87860507234045 0.77988626237030 15.999 > 17 125 O 0.00532475061631 0.37860507234045 0.47011373762970 15.999 > 18 126 O 0.00532475061631 0.87860507234045 0.47011373762970 15.999 > 18 127 O 0.00532475061631 0.37860507234045 0.97011373762970 15.999 > 18 128 O 0.00532475061631 0.87860507234045 0.97011373762970 15.999 > 18 129 O 0.50532475061631 0.37139492765955 0.22011373762970 15.999 > 15 130 O 0.50532475061631 0.87139492765955 0.22011373762970 15.999 > 15 131 O 0.50532475061631 0.37139492765955 0.72011373762970 15.999 > 15 132 O 0.50532475061631 0.87139492765955 0.72011373762970 15.999 > 15 133 O 0.49467524938369 0.37139492765955 0.02988626237030 15.999 > 16 134 O 0.49467524938369 0.87139492765955 0.02988626237030 15.999 > 16 135 O 0.49467524938369 0.37139492765955 0.52988626237030 15.999 > 16 136 O 0.49467524938369 0.87139492765955 0.52988626237030 15.999 > 16 137 O 0.49467524938369 0.12860507234045 0.27988626237030 15.999 > 17 138 O 0.49467524938369 0.62860507234045 0.27988626237030 15.999 > 17 139 O 0.49467524938369 0.12860507234045 0.77988626237030 15.999 > 17 140 O 0.49467524938369 0.62860507234045 0.77988626237030 15.999 > 17 141 O 0.50532475061631 0.12860507234045 0.47011373762970 15.999 > 18 142 O 0.50532475061631 0.62860507234045 0.47011373762970 15.999 > 18 143 O 0.50532475061631 0.12860507234045 0.97011373762970 15.999 > 18 144 O 0.50532475061631 0.62860507234045 0.97011373762970 15.999 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3776925 0.0000000 0.0452922 0.0000000 3.3184069 0.0000000 0.0452925 0.0000000 3.2896787 -------------------------- Born effective charges -------------------------- 1 Ba 2.7031359 0.0000000 -0.0274342 0.0000000 2.6583476 0.0000000 -0.0442098 0.0000000 2.8025943 2 Ba 2.7031359 0.0000000 -0.0274342 0.0000000 2.6583476 0.0000000 -0.0442098 0.0000000 2.8025943 3 H 0.8747964 0.3733299 -0.0951878 0.4143078 0.5921204 -0.0897404 -0.1549806 -0.1275545 0.4121178 4 H 0.8747964 -0.3733299 -0.0951878 -0.4143078 0.5921204 0.0897404 -0.1549806 0.1275545 0.4121178 5 H 0.8747964 0.3733299 -0.0951878 0.4143078 0.5921204 -0.0897404 -0.1549806 -0.1275545 0.4121178 6 H 0.8747964 -0.3733299 -0.0951878 -0.4143078 0.5921204 0.0897404 -0.1549806 0.1275545 0.4121178 7 H 0.5564938 -0.1336713 0.2074288 -0.2054077 0.5939060 -0.3466569 0.2780845 -0.3381245 0.7363679 8 H 0.5564938 0.1336713 0.2074288 0.2054077 0.5939060 0.3466569 0.2780845 0.3381245 0.7363679 9 H 0.5564938 -0.1336713 0.2074288 -0.2054077 0.5939060 -0.3466569 0.2780845 -0.3381245 0.7363679 10 H 0.5564938 0.1336713 0.2074288 0.2054077 0.5939060 0.3466569 0.2780845 0.3381245 0.7363679 11 Br -1.3123895 -0.0166721 -0.0560430 0.0078077 -1.2121783 -0.0978043 -0.0637258 -0.0922800 -1.1949020 12 Br -1.3123895 0.0166721 -0.0560430 -0.0078077 -1.2121783 0.0978043 -0.0637258 0.0922800 -1.1949020 13 Br -1.3123895 -0.0166721 -0.0560430 0.0078077 -1.2121783 -0.0978043 -0.0637258 -0.0922800 -1.1949020 14 Br -1.3123895 0.0166721 -0.0560430 -0.0078077 -1.2121783 0.0978043 -0.0637258 0.0922800 -1.1949020 15 O -1.4704687 -0.1333518 -0.0424809 -0.1033105 -1.3030220 0.1739552 -0.0372733 0.2296240 -1.3548808 16 O -1.4704687 0.1333518 -0.0424809 0.1033105 -1.3030220 -0.1739552 -0.0372733 -0.2296240 -1.3548808 17 O -1.4704687 -0.1333518 -0.0424809 -0.1033105 -1.3030220 0.1739552 -0.0372733 0.2296240 -1.3548808 18 O -1.4704687 0.1333518 -0.0424809 0.1033105 -1.3030220 -0.1739552 -0.0372733 -0.2296240 -1.3548808 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 13680/13680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2986), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 560 - Time: 1.151 Solver_block: 200 / 560 - Time: 1.036 Solver_block: 300 / 560 - Time: 1.037 Solver_block: 400 / 560 - Time: 1.038 Solver_block: 500 / 560 - Time: 1.038 Solver_block: 560 / 560 - Time: 0.730 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.153 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yx) 0.00000000 (yx) Permutation basis: 432/432 Permutation basis: 13680/13680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2986), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yx) -0.00000000 (yx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:53:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:53:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.217998047581950 -3.491841900000000 0.000000000000000 b 5.217998047581950 3.491841900000000 0.000000000000000 c -3.280543942030026 0.000000000000000 7.601130494506580 Atomic positions (fractional): 1 Ba 0.10231643605341 0.89768356394659 0.25000000000000 137.327 2 Ba 0.89768356394659 0.10231643605341 0.75000000000000 137.327 3 H 0.76536903923939 0.40827480594146 0.44623488061973 1.008 4 H 0.59172519405854 0.23463096076061 0.05376511938027 1.008 5 H 0.23463096076061 0.59172519405854 0.55376511938027 1.008 6 H 0.40827480594146 0.76536903923939 0.94623488061973 1.008 7 H 0.60300371291477 0.24326217493708 0.36480508374268 1.008 8 H 0.75673782506292 0.39699628708523 0.13519491625732 1.008 9 H 0.39699628708523 0.75673782506292 0.63519491625732 1.008 10 H 0.24326217493708 0.60300371291477 0.86480508374268 1.008 11 Br 0.69771438209243 0.73758460006189 0.35402246764239 79.904 12 Br 0.26241539993811 0.30228561790757 0.14597753235761 79.904 13 Br 0.30228561790757 0.26241539993811 0.64597753235761 79.904 14 Br 0.73758460006189 0.69771438209243 0.85402246764239 79.904 15 O 0.76253489529720 0.24811460593541 0.44022747525940 15.999 16 O 0.75188539406459 0.23746510470279 0.05977252474060 15.999 17 O 0.23746510470280 0.75188539406459 0.55977252474060 15.999 18 O 0.24811460593541 0.76253489529720 0.94022747525940 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.435996095163899 0.000000000000000 0.000000000000000 b 0.000000000000000 13.967367599999999 0.000000000000000 c -6.561087884060052 0.000000000000000 15.202260989013160 Atomic positions (fractional): 1 Ba 0.00000000000000 0.44884178197329 0.12500000000000 137.327 > 1 2 Ba 0.00000000000000 0.94884178197329 0.12500000000000 137.327 > 1 3 Ba 0.00000000000000 0.44884178197329 0.62500000000000 137.327 > 1 4 Ba 0.00000000000000 0.94884178197329 0.62500000000000 137.327 > 1 5 Ba 0.00000000000000 0.05115821802671 0.37500000000000 137.327 > 5 6 Ba 0.00000000000000 0.55115821802671 0.37500000000000 137.327 > 5 7 Ba 0.00000000000000 0.05115821802671 0.87500000000000 137.327 > 5 8 Ba 0.00000000000000 0.55115821802671 0.87500000000000 137.327 > 5 9 Ba 0.50000000000000 0.19884178197329 0.12500000000000 137.327 > 1 10 Ba 0.50000000000000 0.69884178197329 0.12500000000000 137.327 > 1 11 Ba 0.50000000000000 0.19884178197329 0.62500000000000 137.327 > 1 12 Ba 0.50000000000000 0.69884178197329 0.62500000000000 137.327 > 1 13 Ba 0.50000000000000 0.30115821802671 0.37500000000000 137.327 > 5 14 Ba 0.50000000000000 0.80115821802671 0.37500000000000 137.327 > 5 15 Ba 0.50000000000000 0.30115821802671 0.87500000000000 137.327 > 5 16 Ba 0.50000000000000 0.80115821802671 0.87500000000000 137.327 > 5 17 H 0.08682192259042 0.16072644167552 0.22311744030987 1.008 > 17 18 H 0.08682192259042 0.66072644167552 0.22311744030987 1.008 > 17 19 H 0.08682192259042 0.16072644167552 0.72311744030987 1.008 > 17 20 H 0.08682192259042 0.66072644167552 0.72311744030987 1.008 > 17 21 H 0.91317807740958 0.16072644167552 0.02688255969013 1.008 > 21 22 H 0.91317807740958 0.66072644167552 0.02688255969013 1.008 > 21 23 H 0.91317807740958 0.16072644167552 0.52688255969013 1.008 > 21 24 H 0.91317807740958 0.66072644167552 0.52688255969013 1.008 > 21 25 H 0.91317807740958 0.33927355832448 0.27688255969013 1.008 > 25 26 H 0.91317807740958 0.83927355832448 0.27688255969013 1.008 > 25 27 H 0.91317807740958 0.33927355832448 0.77688255969013 1.008 > 25 28 H 0.91317807740958 0.83927355832448 0.77688255969013 1.008 > 25 29 H 0.08682192259042 0.33927355832448 0.47311744030987 1.008 > 29 30 H 0.08682192259042 0.83927355832448 0.47311744030987 1.008 > 29 31 H 0.08682192259042 0.33927355832448 0.97311744030987 1.008 > 29 32 H 0.08682192259042 0.83927355832448 0.97311744030987 1.008 > 29 33 H 0.92313294392592 0.16006461550558 0.18240254187134 1.008 > 33 34 H 0.92313294392592 0.66006461550558 0.18240254187134 1.008 > 33 35 H 0.92313294392592 0.16006461550558 0.68240254187134 1.008 > 33 36 H 0.92313294392592 0.66006461550558 0.68240254187134 1.008 > 33 37 H 0.07686705607408 0.16006461550558 0.06759745812866 1.008 > 37 38 H 0.07686705607408 0.66006461550558 0.06759745812866 1.008 > 37 39 H 0.07686705607408 0.16006461550558 0.56759745812866 1.008 > 37 40 H 0.07686705607408 0.66006461550558 0.56759745812866 1.008 > 37 41 H 0.07686705607408 0.33993538449442 0.31759745812866 1.008 > 41 42 H 0.07686705607408 0.83993538449442 0.31759745812866 1.008 > 41 43 H 0.07686705607408 0.33993538449442 0.81759745812866 1.008 > 41 44 H 0.07686705607408 0.83993538449442 0.81759745812866 1.008 > 41 45 H 0.92313294392592 0.33993538449442 0.43240254187134 1.008 > 45 46 H 0.92313294392592 0.83993538449442 0.43240254187134 1.008 > 45 47 H 0.92313294392592 0.33993538449442 0.93240254187134 1.008 > 45 48 H 0.92313294392592 0.83993538449442 0.93240254187134 1.008 > 45 49 H 0.58682192259042 0.41072644167552 0.22311744030987 1.008 > 17 50 H 0.58682192259042 0.91072644167552 0.22311744030987 1.008 > 17 51 H 0.58682192259042 0.41072644167552 0.72311744030987 1.008 > 17 52 H 0.58682192259042 0.91072644167552 0.72311744030987 1.008 > 17 53 H 0.41317807740958 0.41072644167552 0.02688255969013 1.008 > 21 54 H 0.41317807740958 0.91072644167552 0.02688255969013 1.008 > 21 55 H 0.41317807740958 0.41072644167552 0.52688255969013 1.008 > 21 56 H 0.41317807740958 0.91072644167552 0.52688255969013 1.008 > 21 57 H 0.41317807740958 0.08927355832448 0.27688255969013 1.008 > 25 58 H 0.41317807740958 0.58927355832448 0.27688255969013 1.008 > 25 59 H 0.41317807740958 0.08927355832448 0.77688255969013 1.008 > 25 60 H 0.41317807740958 0.58927355832448 0.77688255969013 1.008 > 25 61 H 0.58682192259042 0.08927355832448 0.47311744030987 1.008 > 29 62 H 0.58682192259042 0.58927355832448 0.47311744030987 1.008 > 29 63 H 0.58682192259042 0.08927355832448 0.97311744030987 1.008 > 29 64 H 0.58682192259042 0.58927355832448 0.97311744030987 1.008 > 29 65 H 0.42313294392592 0.41006461550558 0.18240254187134 1.008 > 33 66 H 0.42313294392592 0.91006461550558 0.18240254187134 1.008 > 33 67 H 0.42313294392592 0.41006461550558 0.68240254187134 1.008 > 33 68 H 0.42313294392592 0.91006461550558 0.68240254187134 1.008 > 33 69 H 0.57686705607408 0.41006461550558 0.06759745812866 1.008 > 37 70 H 0.57686705607408 0.91006461550558 0.06759745812866 1.008 > 37 71 H 0.57686705607408 0.41006461550558 0.56759745812866 1.008 > 37 72 H 0.57686705607408 0.91006461550558 0.56759745812866 1.008 > 37 73 H 0.57686705607408 0.08993538449442 0.31759745812866 1.008 > 41 74 H 0.57686705607408 0.58993538449442 0.31759745812866 1.008 > 41 75 H 0.57686705607408 0.08993538449442 0.81759745812866 1.008 > 41 76 H 0.57686705607408 0.58993538449442 0.81759745812866 1.008 > 41 77 H 0.42313294392592 0.08993538449442 0.43240254187134 1.008 > 45 78 H 0.42313294392592 0.58993538449442 0.43240254187134 1.008 > 45 79 H 0.42313294392592 0.08993538449442 0.93240254187134 1.008 > 45 80 H 0.42313294392592 0.58993538449442 0.93240254187134 1.008 > 45 81 Br 0.21764949107716 0.25996755449237 0.17701123382120 79.904 > 81 82 Br 0.21764949107716 0.75996755449236 0.17701123382120 79.904 > 81 83 Br 0.21764949107716 0.25996755449237 0.67701123382120 79.904 > 81 84 Br 0.21764949107716 0.75996755449236 0.67701123382120 79.904 > 81 85 Br 0.78235050892284 0.25996755449237 0.07298876617880 79.904 > 85 86 Br 0.78235050892284 0.75996755449236 0.07298876617880 79.904 > 85 87 Br 0.78235050892284 0.25996755449237 0.57298876617880 79.904 > 85 88 Br 0.78235050892284 0.75996755449236 0.57298876617880 79.904 > 85 89 Br 0.78235050892284 0.24003244550764 0.32298876617880 79.904 > 89 90 Br 0.78235050892284 0.74003244550764 0.32298876617880 79.904 > 89 91 Br 0.78235050892284 0.24003244550764 0.82298876617880 79.904 > 89 92 Br 0.78235050892284 0.74003244550764 0.82298876617880 79.904 > 89 93 Br 0.21764949107716 0.24003244550764 0.42701123382120 79.904 > 93 94 Br 0.21764949107716 0.74003244550764 0.42701123382120 79.904 > 93 95 Br 0.21764949107716 0.24003244550764 0.92701123382120 79.904 > 93 96 Br 0.21764949107716 0.74003244550764 0.92701123382120 79.904 > 93 97 Br 0.71764949107716 0.00996755449236 0.17701123382120 79.904 > 81 98 Br 0.71764949107716 0.50996755449236 0.17701123382120 79.904 > 81 99 Br 0.71764949107716 0.00996755449236 0.67701123382120 79.904 > 81 100 Br 0.71764949107716 0.50996755449236 0.67701123382120 79.904 > 81 101 Br 0.28235050892284 0.00996755449236 0.07298876617880 79.904 > 85 102 Br 0.28235050892284 0.50996755449236 0.07298876617880 79.904 > 85 103 Br 0.28235050892284 0.00996755449236 0.57298876617880 79.904 > 85 104 Br 0.28235050892284 0.50996755449236 0.57298876617880 79.904 > 85 105 Br 0.28235050892284 0.49003244550763 0.32298876617880 79.904 > 89 106 Br 0.28235050892284 0.99003244550764 0.32298876617880 79.904 > 89 107 Br 0.28235050892284 0.49003244550763 0.82298876617880 79.904 > 89 108 Br 0.28235050892284 0.99003244550764 0.82298876617880 79.904 > 89 109 Br 0.71764949107716 0.49003244550763 0.42701123382120 79.904 > 93 110 Br 0.71764949107716 0.99003244550764 0.42701123382120 79.904 > 93 111 Br 0.71764949107716 0.49003244550763 0.92701123382120 79.904 > 93 112 Br 0.71764949107716 0.99003244550764 0.92701123382120 79.904 > 93 113 O 0.00532475061631 0.12139492765955 0.22011373762970 15.999 > 113 114 O 0.00532475061631 0.62139492765955 0.22011373762970 15.999 > 113 115 O 0.00532475061631 0.12139492765955 0.72011373762970 15.999 > 113 116 O 0.00532475061631 0.62139492765955 0.72011373762970 15.999 > 113 117 O 0.99467524938369 0.12139492765955 0.02988626237030 15.999 > 117 118 O 0.99467524938369 0.62139492765955 0.02988626237030 15.999 > 117 119 O 0.99467524938369 0.12139492765955 0.52988626237030 15.999 > 117 120 O 0.99467524938369 0.62139492765955 0.52988626237030 15.999 > 117 121 O 0.99467524938369 0.37860507234045 0.27988626237030 15.999 > 121 122 O 0.99467524938369 0.87860507234045 0.27988626237030 15.999 > 121 123 O 0.99467524938369 0.37860507234045 0.77988626237030 15.999 > 121 124 O 0.99467524938369 0.87860507234045 0.77988626237030 15.999 > 121 125 O 0.00532475061631 0.37860507234045 0.47011373762970 15.999 > 125 126 O 0.00532475061631 0.87860507234045 0.47011373762970 15.999 > 125 127 O 0.00532475061631 0.37860507234045 0.97011373762970 15.999 > 125 128 O 0.00532475061631 0.87860507234045 0.97011373762970 15.999 > 125 129 O 0.50532475061631 0.37139492765955 0.22011373762970 15.999 > 113 130 O 0.50532475061631 0.87139492765955 0.22011373762970 15.999 > 113 131 O 0.50532475061631 0.37139492765955 0.72011373762970 15.999 > 113 132 O 0.50532475061631 0.87139492765955 0.72011373762970 15.999 > 113 133 O 0.49467524938369 0.37139492765955 0.02988626237030 15.999 > 117 134 O 0.49467524938369 0.87139492765955 0.02988626237030 15.999 > 117 135 O 0.49467524938369 0.37139492765955 0.52988626237030 15.999 > 117 136 O 0.49467524938369 0.87139492765955 0.52988626237030 15.999 > 117 137 O 0.49467524938369 0.12860507234045 0.27988626237030 15.999 > 121 138 O 0.49467524938369 0.62860507234045 0.27988626237030 15.999 > 121 139 O 0.49467524938369 0.12860507234045 0.77988626237030 15.999 > 121 140 O 0.49467524938369 0.62860507234045 0.77988626237030 15.999 > 121 141 O 0.50532475061631 0.12860507234045 0.47011373762970 15.999 > 125 142 O 0.50532475061631 0.62860507234045 0.47011373762970 15.999 > 125 143 O 0.50532475061631 0.12860507234045 0.97011373762970 15.999 > 125 144 O 0.50532475061631 0.62860507234045 0.97011373762970 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3776925 0.0000000 0.0452922 0.0000000 3.3184069 0.0000000 0.0452925 0.0000000 3.2896787 -------------------------- Born effective charges -------------------------- 1 Ba 2.7031359 0.0000000 -0.0274342 0.0000000 2.6583476 0.0000000 -0.0442098 0.0000000 2.8025943 2 Ba 2.7031359 0.0000000 -0.0274342 0.0000000 2.6583476 0.0000000 -0.0442098 0.0000000 2.8025943 3 H 0.8747964 0.3733299 -0.0951878 0.4143078 0.5921204 -0.0897404 -0.1549806 -0.1275545 0.4121178 4 H 0.8747964 -0.3733299 -0.0951878 -0.4143078 0.5921204 0.0897404 -0.1549806 0.1275545 0.4121178 5 H 0.8747964 0.3733299 -0.0951878 0.4143078 0.5921204 -0.0897404 -0.1549806 -0.1275545 0.4121178 6 H 0.8747964 -0.3733299 -0.0951878 -0.4143078 0.5921204 0.0897404 -0.1549806 0.1275545 0.4121178 7 H 0.5564938 -0.1336713 0.2074288 -0.2054077 0.5939060 -0.3466569 0.2780845 -0.3381245 0.7363679 8 H 0.5564938 0.1336713 0.2074288 0.2054077 0.5939060 0.3466569 0.2780845 0.3381245 0.7363679 9 H 0.5564938 -0.1336713 0.2074288 -0.2054077 0.5939060 -0.3466569 0.2780845 -0.3381245 0.7363679 10 H 0.5564938 0.1336713 0.2074288 0.2054077 0.5939060 0.3466569 0.2780845 0.3381245 0.7363679 11 Br -1.3123895 -0.0166721 -0.0560430 0.0078077 -1.2121783 -0.0978043 -0.0637258 -0.0922800 -1.1949020 12 Br -1.3123895 0.0166721 -0.0560430 -0.0078077 -1.2121783 0.0978043 -0.0637258 0.0922800 -1.1949020 13 Br -1.3123895 -0.0166721 -0.0560430 0.0078077 -1.2121783 -0.0978043 -0.0637258 -0.0922800 -1.1949020 14 Br -1.3123895 0.0166721 -0.0560430 -0.0078077 -1.2121783 0.0978043 -0.0637258 0.0922800 -1.1949020 15 O -1.4704687 -0.1333518 -0.0424809 -0.1033105 -1.3030220 0.1739552 -0.0372733 0.2296240 -1.3548808 16 O -1.4704687 0.1333518 -0.0424809 0.1033105 -1.3030220 -0.1739552 -0.0372733 -0.2296240 -1.3548808 17 O -1.4704687 -0.1333518 -0.0424809 -0.1033105 -1.3030220 0.1739552 -0.0372733 0.2296240 -1.3548808 18 O -1.4704687 0.1333518 -0.0424809 0.1033105 -1.3030220 -0.1739552 -0.0372733 -0.2296240 -1.3548808 ---------------------------------------------------------------------------- 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (xxy) 0.00000004 (xxy) 0.00000004 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:53:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:53:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 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 5.217998047581950 -3.491841900000000 0.000000000000000 b 5.217998047581950 3.491841900000000 0.000000000000000 c -3.280543942030026 0.000000000000000 7.601130494506580 Atomic positions (fractional): 1 Ba 0.10231643605341 0.89768356394659 0.25000000000000 137.327 2 Ba 0.89768356394659 0.10231643605341 0.75000000000000 137.327 3 H 0.76536903923939 0.40827480594146 0.44623488061973 1.008 4 H 0.59172519405854 0.23463096076061 0.05376511938027 1.008 5 H 0.23463096076061 0.59172519405854 0.55376511938027 1.008 6 H 0.40827480594146 0.76536903923939 0.94623488061973 1.008 7 H 0.60300371291477 0.24326217493708 0.36480508374268 1.008 8 H 0.75673782506292 0.39699628708523 0.13519491625732 1.008 9 H 0.39699628708523 0.75673782506292 0.63519491625732 1.008 10 H 0.24326217493708 0.60300371291477 0.86480508374268 1.008 11 Br 0.69771438209243 0.73758460006189 0.35402246764239 79.904 12 Br 0.26241539993811 0.30228561790757 0.14597753235761 79.904 13 Br 0.30228561790757 0.26241539993811 0.64597753235761 79.904 14 Br 0.73758460006189 0.69771438209243 0.85402246764239 79.904 15 O 0.76253489529720 0.24811460593541 0.44022747525940 15.999 16 O 0.75188539406459 0.23746510470279 0.05977252474060 15.999 17 O 0.23746510470280 0.75188539406459 0.55977252474060 15.999 18 O 0.24811460593541 0.76253489529720 0.94022747525940 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.435996095163899 0.000000000000000 0.000000000000000 b 0.000000000000000 13.967367599999999 0.000000000000000 c -6.561087884060052 0.000000000000000 15.202260989013160 Atomic positions (fractional): 1 Ba 0.00000000000000 0.44884178197329 0.12500000000000 137.327 > 1 2 Ba 0.00000000000000 0.94884178197329 0.12500000000000 137.327 > 1 3 Ba 0.00000000000000 0.44884178197329 0.62500000000000 137.327 > 1 4 Ba 0.00000000000000 0.94884178197329 0.62500000000000 137.327 > 1 5 Ba 0.00000000000000 0.05115821802671 0.37500000000000 137.327 > 5 6 Ba 0.00000000000000 0.55115821802671 0.37500000000000 137.327 > 5 7 Ba 0.00000000000000 0.05115821802671 0.87500000000000 137.327 > 5 8 Ba 0.00000000000000 0.55115821802671 0.87500000000000 137.327 > 5 9 Ba 0.50000000000000 0.19884178197329 0.12500000000000 137.327 > 1 10 Ba 0.50000000000000 0.69884178197329 0.12500000000000 137.327 > 1 11 Ba 0.50000000000000 0.19884178197329 0.62500000000000 137.327 > 1 12 Ba 0.50000000000000 0.69884178197329 0.62500000000000 137.327 > 1 13 Ba 0.50000000000000 0.30115821802671 0.37500000000000 137.327 > 5 14 Ba 0.50000000000000 0.80115821802671 0.37500000000000 137.327 > 5 15 Ba 0.50000000000000 0.30115821802671 0.87500000000000 137.327 > 5 16 Ba 0.50000000000000 0.80115821802671 0.87500000000000 137.327 > 5 17 H 0.08682192259042 0.16072644167552 0.22311744030987 1.008 > 17 18 H 0.08682192259042 0.66072644167552 0.22311744030987 1.008 > 17 19 H 0.08682192259042 0.16072644167552 0.72311744030987 1.008 > 17 20 H 0.08682192259042 0.66072644167552 0.72311744030987 1.008 > 17 21 H 0.91317807740958 0.16072644167552 0.02688255969013 1.008 > 21 22 H 0.91317807740958 0.66072644167552 0.02688255969013 1.008 > 21 23 H 0.91317807740958 0.16072644167552 0.52688255969013 1.008 > 21 24 H 0.91317807740958 0.66072644167552 0.52688255969013 1.008 > 21 25 H 0.91317807740958 0.33927355832448 0.27688255969013 1.008 > 25 26 H 0.91317807740958 0.83927355832448 0.27688255969013 1.008 > 25 27 H 0.91317807740958 0.33927355832448 0.77688255969013 1.008 > 25 28 H 0.91317807740958 0.83927355832448 0.77688255969013 1.008 > 25 29 H 0.08682192259042 0.33927355832448 0.47311744030987 1.008 > 29 30 H 0.08682192259042 0.83927355832448 0.47311744030987 1.008 > 29 31 H 0.08682192259042 0.33927355832448 0.97311744030987 1.008 > 29 32 H 0.08682192259042 0.83927355832448 0.97311744030987 1.008 > 29 33 H 0.92313294392592 0.16006461550558 0.18240254187134 1.008 > 33 34 H 0.92313294392592 0.66006461550558 0.18240254187134 1.008 > 33 35 H 0.92313294392592 0.16006461550558 0.68240254187134 1.008 > 33 36 H 0.92313294392592 0.66006461550558 0.68240254187134 1.008 > 33 37 H 0.07686705607408 0.16006461550558 0.06759745812866 1.008 > 37 38 H 0.07686705607408 0.66006461550558 0.06759745812866 1.008 > 37 39 H 0.07686705607408 0.16006461550558 0.56759745812866 1.008 > 37 40 H 0.07686705607408 0.66006461550558 0.56759745812866 1.008 > 37 41 H 0.07686705607408 0.33993538449442 0.31759745812866 1.008 > 41 42 H 0.07686705607408 0.83993538449442 0.31759745812866 1.008 > 41 43 H 0.07686705607408 0.33993538449442 0.81759745812866 1.008 > 41 44 H 0.07686705607408 0.83993538449442 0.81759745812866 1.008 > 41 45 H 0.92313294392592 0.33993538449442 0.43240254187134 1.008 > 45 46 H 0.92313294392592 0.83993538449442 0.43240254187134 1.008 > 45 47 H 0.92313294392592 0.33993538449442 0.93240254187134 1.008 > 45 48 H 0.92313294392592 0.83993538449442 0.93240254187134 1.008 > 45 49 H 0.58682192259042 0.41072644167552 0.22311744030987 1.008 > 17 50 H 0.58682192259042 0.91072644167552 0.22311744030987 1.008 > 17 51 H 0.58682192259042 0.41072644167552 0.72311744030987 1.008 > 17 52 H 0.58682192259042 0.91072644167552 0.72311744030987 1.008 > 17 53 H 0.41317807740958 0.41072644167552 0.02688255969013 1.008 > 21 54 H 0.41317807740958 0.91072644167552 0.02688255969013 1.008 > 21 55 H 0.41317807740958 0.41072644167552 0.52688255969013 1.008 > 21 56 H 0.41317807740958 0.91072644167552 0.52688255969013 1.008 > 21 57 H 0.41317807740958 0.08927355832448 0.27688255969013 1.008 > 25 58 H 0.41317807740958 0.58927355832448 0.27688255969013 1.008 > 25 59 H 0.41317807740958 0.08927355832448 0.77688255969013 1.008 > 25 60 H 0.41317807740958 0.58927355832448 0.77688255969013 1.008 > 25 61 H 0.58682192259042 0.08927355832448 0.47311744030987 1.008 > 29 62 H 0.58682192259042 0.58927355832448 0.47311744030987 1.008 > 29 63 H 0.58682192259042 0.08927355832448 0.97311744030987 1.008 > 29 64 H 0.58682192259042 0.58927355832448 0.97311744030987 1.008 > 29 65 H 0.42313294392592 0.41006461550558 0.18240254187134 1.008 > 33 66 H 0.42313294392592 0.91006461550558 0.18240254187134 1.008 > 33 67 H 0.42313294392592 0.41006461550558 0.68240254187134 1.008 > 33 68 H 0.42313294392592 0.91006461550558 0.68240254187134 1.008 > 33 69 H 0.57686705607408 0.41006461550558 0.06759745812866 1.008 > 37 70 H 0.57686705607408 0.91006461550558 0.06759745812866 1.008 > 37 71 H 0.57686705607408 0.41006461550558 0.56759745812866 1.008 > 37 72 H 0.57686705607408 0.91006461550558 0.56759745812866 1.008 > 37 73 H 0.57686705607408 0.08993538449442 0.31759745812866 1.008 > 41 74 H 0.57686705607408 0.58993538449442 0.31759745812866 1.008 > 41 75 H 0.57686705607408 0.08993538449442 0.81759745812866 1.008 > 41 76 H 0.57686705607408 0.58993538449442 0.81759745812866 1.008 > 41 77 H 0.42313294392592 0.08993538449442 0.43240254187134 1.008 > 45 78 H 0.42313294392592 0.58993538449442 0.43240254187134 1.008 > 45 79 H 0.42313294392592 0.08993538449442 0.93240254187134 1.008 > 45 80 H 0.42313294392592 0.58993538449442 0.93240254187134 1.008 > 45 81 Br 0.21764949107716 0.25996755449237 0.17701123382120 79.904 > 81 82 Br 0.21764949107716 0.75996755449236 0.17701123382120 79.904 > 81 83 Br 0.21764949107716 0.25996755449237 0.67701123382120 79.904 > 81 84 Br 0.21764949107716 0.75996755449236 0.67701123382120 79.904 > 81 85 Br 0.78235050892284 0.25996755449237 0.07298876617880 79.904 > 85 86 Br 0.78235050892284 0.75996755449236 0.07298876617880 79.904 > 85 87 Br 0.78235050892284 0.25996755449237 0.57298876617880 79.904 > 85 88 Br 0.78235050892284 0.75996755449236 0.57298876617880 79.904 > 85 89 Br 0.78235050892284 0.24003244550764 0.32298876617880 79.904 > 89 90 Br 0.78235050892284 0.74003244550764 0.32298876617880 79.904 > 89 91 Br 0.78235050892284 0.24003244550764 0.82298876617880 79.904 > 89 92 Br 0.78235050892284 0.74003244550764 0.82298876617880 79.904 > 89 93 Br 0.21764949107716 0.24003244550764 0.42701123382120 79.904 > 93 94 Br 0.21764949107716 0.74003244550764 0.42701123382120 79.904 > 93 95 Br 0.21764949107716 0.24003244550764 0.92701123382120 79.904 > 93 96 Br 0.21764949107716 0.74003244550764 0.92701123382120 79.904 > 93 97 Br 0.71764949107716 0.00996755449236 0.17701123382120 79.904 > 81 98 Br 0.71764949107716 0.50996755449236 0.17701123382120 79.904 > 81 99 Br 0.71764949107716 0.00996755449236 0.67701123382120 79.904 > 81 100 Br 0.71764949107716 0.50996755449236 0.67701123382120 79.904 > 81 101 Br 0.28235050892284 0.00996755449236 0.07298876617880 79.904 > 85 102 Br 0.28235050892284 0.50996755449236 0.07298876617880 79.904 > 85 103 Br 0.28235050892284 0.00996755449236 0.57298876617880 79.904 > 85 104 Br 0.28235050892284 0.50996755449236 0.57298876617880 79.904 > 85 105 Br 0.28235050892284 0.49003244550763 0.32298876617880 79.904 > 89 106 Br 0.28235050892284 0.99003244550764 0.32298876617880 79.904 > 89 107 Br 0.28235050892284 0.49003244550763 0.82298876617880 79.904 > 89 108 Br 0.28235050892284 0.99003244550764 0.82298876617880 79.904 > 89 109 Br 0.71764949107716 0.49003244550763 0.42701123382120 79.904 > 93 110 Br 0.71764949107716 0.99003244550764 0.42701123382120 79.904 > 93 111 Br 0.71764949107716 0.49003244550763 0.92701123382120 79.904 > 93 112 Br 0.71764949107716 0.99003244550764 0.92701123382120 79.904 > 93 113 O 0.00532475061631 0.12139492765955 0.22011373762970 15.999 > 113 114 O 0.00532475061631 0.62139492765955 0.22011373762970 15.999 > 113 115 O 0.00532475061631 0.12139492765955 0.72011373762970 15.999 > 113 116 O 0.00532475061631 0.62139492765955 0.72011373762970 15.999 > 113 117 O 0.99467524938369 0.12139492765955 0.02988626237030 15.999 > 117 118 O 0.99467524938369 0.62139492765955 0.02988626237030 15.999 > 117 119 O 0.99467524938369 0.12139492765955 0.52988626237030 15.999 > 117 120 O 0.99467524938369 0.62139492765955 0.52988626237030 15.999 > 117 121 O 0.99467524938369 0.37860507234045 0.27988626237030 15.999 > 121 122 O 0.99467524938369 0.87860507234045 0.27988626237030 15.999 > 121 123 O 0.99467524938369 0.37860507234045 0.77988626237030 15.999 > 121 124 O 0.99467524938369 0.87860507234045 0.77988626237030 15.999 > 121 125 O 0.00532475061631 0.37860507234045 0.47011373762970 15.999 > 125 126 O 0.00532475061631 0.87860507234045 0.47011373762970 15.999 > 125 127 O 0.00532475061631 0.37860507234045 0.97011373762970 15.999 > 125 128 O 0.00532475061631 0.87860507234045 0.97011373762970 15.999 > 125 129 O 0.50532475061631 0.37139492765955 0.22011373762970 15.999 > 113 130 O 0.50532475061631 0.87139492765955 0.22011373762970 15.999 > 113 131 O 0.50532475061631 0.37139492765955 0.72011373762970 15.999 > 113 132 O 0.50532475061631 0.87139492765955 0.72011373762970 15.999 > 113 133 O 0.49467524938369 0.37139492765955 0.02988626237030 15.999 > 117 134 O 0.49467524938369 0.87139492765955 0.02988626237030 15.999 > 117 135 O 0.49467524938369 0.37139492765955 0.52988626237030 15.999 > 117 136 O 0.49467524938369 0.87139492765955 0.52988626237030 15.999 > 117 137 O 0.49467524938369 0.12860507234045 0.27988626237030 15.999 > 121 138 O 0.49467524938369 0.62860507234045 0.27988626237030 15.999 > 121 139 O 0.49467524938369 0.12860507234045 0.77988626237030 15.999 > 121 140 O 0.49467524938369 0.62860507234045 0.77988626237030 15.999 > 121 141 O 0.50532475061631 0.12860507234045 0.47011373762970 15.999 > 125 142 O 0.50532475061631 0.62860507234045 0.47011373762970 15.999 > 125 143 O 0.50532475061631 0.12860507234045 0.97011373762970 15.999 > 125 144 O 0.50532475061631 0.62860507234045 0.97011373762970 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3776925 0.0000000 0.0452922 0.0000000 3.3184069 0.0000000 0.0452925 0.0000000 3.2896787 -------------------------- Born effective charges -------------------------- 1 Ba 2.7031359 0.0000000 -0.0274342 0.0000000 2.6583476 0.0000000 -0.0442098 0.0000000 2.8025943 2 Ba 2.7031359 0.0000000 -0.0274342 0.0000000 2.6583476 0.0000000 -0.0442098 0.0000000 2.8025943 3 H 0.8747964 0.3733299 -0.0951878 0.4143078 0.5921204 -0.0897404 -0.1549806 -0.1275545 0.4121178 4 H 0.8747964 -0.3733299 -0.0951878 -0.4143078 0.5921204 0.0897404 -0.1549806 0.1275545 0.4121178 5 H 0.8747964 0.3733299 -0.0951878 0.4143078 0.5921204 -0.0897404 -0.1549806 -0.1275545 0.4121178 6 H 0.8747964 -0.3733299 -0.0951878 -0.4143078 0.5921204 0.0897404 -0.1549806 0.1275545 0.4121178 7 H 0.5564938 -0.1336713 0.2074288 -0.2054077 0.5939060 -0.3466569 0.2780845 -0.3381245 0.7363679 8 H 0.5564938 0.1336713 0.2074288 0.2054077 0.5939060 0.3466569 0.2780845 0.3381245 0.7363679 9 H 0.5564938 -0.1336713 0.2074288 -0.2054077 0.5939060 -0.3466569 0.2780845 -0.3381245 0.7363679 10 H 0.5564938 0.1336713 0.2074288 0.2054077 0.5939060 0.3466569 0.2780845 0.3381245 0.7363679 11 Br -1.3123895 -0.0166721 -0.0560430 0.0078077 -1.2121783 -0.0978043 -0.0637258 -0.0922800 -1.1949020 12 Br -1.3123895 0.0166721 -0.0560430 -0.0078077 -1.2121783 0.0978043 -0.0637258 0.0922800 -1.1949020 13 Br -1.3123895 -0.0166721 -0.0560430 0.0078077 -1.2121783 -0.0978043 -0.0637258 -0.0922800 -1.1949020 14 Br -1.3123895 0.0166721 -0.0560430 -0.0078077 -1.2121783 0.0978043 -0.0637258 0.0922800 -1.1949020 15 O -1.4704687 -0.1333518 -0.0424809 -0.1033105 -1.3030220 0.1739552 -0.0372733 0.2296240 -1.3548808 16 O -1.4704687 0.1333518 -0.0424809 0.1033105 -1.3030220 -0.1739552 -0.0372733 -0.2296240 -1.3548808 17 O -1.4704687 -0.1333518 -0.0424809 -0.1033105 -1.3030220 0.1739552 -0.0372733 0.2296240 -1.3548808 18 O -1.4704687 0.1333518 -0.0424809 0.1033105 -1.3030220 -0.1739552 -0.0372733 -0.2296240 -1.3548808 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xxy) 0.00000004 (xxy) 0.00000004 (xyx) Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -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 1.425 ( 0.000 0.000 0.000) 0.000 1.615 ( 0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.161 ( 0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 2.588 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 4.974 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 5.817 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.294 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 7.593 ( 0.000 0.000 0.000) 0.000 7.705 ( 0.000 0.000 0.000) 0.000 8.543 ( 0.000 0.000 0.000) 0.000 8.647 ( 0.000 0.000 0.000) 0.000 13.948 ( 0.000 0.000 0.000) 0.000 14.219 ( 0.000 0.000 0.000) 0.000 14.983 ( 0.000 0.000 0.000) 0.000 15.236 ( 0.000 0.000 0.000) 0.000 17.791 ( 0.000 0.000 0.000) 0.000 18.071 ( 0.000 0.000 0.000) 0.000 18.548 ( 0.000 0.000 0.000) 0.000 19.962 ( 0.000 0.000 0.000) 0.000 20.234 ( 0.000 0.000 0.000) 0.000 20.798 ( 0.000 0.000 0.000) 0.000 21.988 ( 0.000 0.000 0.000) 0.000 22.798 ( 0.000 0.000 0.000) 0.000 45.554 ( 0.000 0.000 0.000) 0.000 45.816 ( 0.000 0.000 0.000) 0.000 46.021 ( 0.000 0.000 0.000) 0.000 46.157 ( 0.000 0.000 0.000) 0.000 98.726 ( 0.000 0.000 0.000) 0.000 98.824 ( 0.000 0.000 0.000) 0.000 99.267 ( 0.000 0.000 0.000) 0.000 99.275 ( 0.000 0.000 0.000) 0.000 99.659 ( 0.000 0.000 0.000) 0.000 99.680 ( 0.000 0.000 0.000) 0.000 100.307 ( 0.000 0.000 0.000) 0.000 100.345 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 4.523 -17.067 4.913) 18.327 0.352 ( 8.166 -15.951 -0.040) 17.920 0.663 ( 22.182 -22.827 10.682) 33.574 1.451 ( 2.276 -1.690 -1.033) 3.018 1.633 ( 1.734 -1.056 0.487) 2.088 1.883 ( 0.686 3.019 0.550) 3.145 1.976 ( -1.139 -1.851 -0.437) 2.217 2.024 ( 1.982 -0.336 0.685) 2.124 2.095 ( -0.659 -0.594 -1.310) 1.582 2.229 ( 9.382 11.141 1.169) 14.612 2.468 ( -0.023 3.147 -1.740) 3.596 2.569 ( -2.179 -1.392 -1.275) 2.882 2.628 ( -0.468 1.863 -0.171) 1.929 2.642 ( 0.195 0.441 1.152) 1.249 2.748 ( 3.165 1.215 -0.462) 3.422 2.819 ( 8.054 -1.656 2.250) 8.525 2.932 ( -1.874 -1.413 3.287) 4.039 3.741 ( -12.021 -6.786 -7.434) 15.678 4.857 ( -0.687 -0.390 1.593) 1.778 4.973 ( -0.249 0.171 0.565) 0.640 5.603 ( -0.526 -0.009 0.023) 0.526 5.786 ( -1.706 1.184 -0.072) 2.078 5.841 ( -0.422 -1.803 0.229) 1.866 6.257 ( -0.821 1.728 0.695) 2.035 6.316 ( -1.580 -0.795 -0.415) 1.817 6.441 ( -0.900 0.837 -1.644) 2.053 7.593 ( -0.295 0.066 0.494) 0.579 7.707 ( 0.354 -0.044 -0.206) 0.412 8.548 ( -0.123 -0.773 -0.241) 0.819 8.649 ( 0.038 0.209 -0.428) 0.478 13.915 ( -1.991 2.597 -0.406) 3.297 14.196 ( -3.739 -0.518 -3.218) 4.960 14.920 ( -1.264 7.500 3.997) 8.592 15.381 ( 7.348 6.437 8.723) 13.096 17.789 ( 0.114 0.186 -0.426) 0.478 18.076 ( 1.942 -0.202 -3.568) 4.067 18.558 ( -0.124 -0.720 1.769) 1.914 19.978 ( 1.049 -0.669 1.226) 1.746 20.236 ( 0.973 0.138 -0.442) 1.077 20.810 ( 2.127 2.896 -0.939) 3.714 22.005 ( -3.231 -0.185 -0.535) 3.280 22.808 ( 0.753 -0.442 0.674) 1.103 45.565 ( 0.524 -1.071 -0.413) 1.262 45.809 ( -0.931 0.390 0.170) 1.024 46.178 ( 2.773 -0.585 0.486) 2.876 46.365 ( -14.761 -14.410 -9.175) 22.577 98.732 ( 1.165 -0.170 -1.905) 2.240 98.826 ( 0.248 -0.143 -0.122) 0.311 99.274 ( 0.059 -0.034 -0.255) 0.264 99.330 ( -1.941 -2.103 -1.179) 3.095 99.677 ( 0.300 0.686 0.156) 0.765 99.895 ( -19.227 -16.527 -10.182) 27.321 100.297 ( -0.362 0.584 -0.780) 1.040 101.062 ( 35.769 29.039 19.361) 49.975 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 4.907 -13.223 4.695) 14.865 0.683 ( 6.103 -16.481 -1.029) 17.605 1.252 ( 15.856 -16.302 7.025) 23.801 1.520 ( 4.435 -5.355 -0.173) 6.955 1.685 ( 2.750 -1.608 0.931) 3.319 1.814 ( -0.910 4.292 -1.520) 4.644 2.006 ( 1.848 -0.382 -2.537) 3.161 2.036 ( 0.115 0.820 -0.201) 0.852 2.082 ( 1.092 0.467 -1.098) 1.618 2.159 ( 2.090 4.647 0.394) 5.111 2.443 ( 3.080 1.453 0.472) 3.438 2.512 ( -7.246 -0.495 -2.611) 7.718 2.630 ( 3.842 1.959 0.246) 4.320 2.663 ( 1.075 -1.564 0.389) 1.937 2.776 ( 4.286 -0.025 -0.150) 4.289 2.878 ( 2.682 1.375 2.085) 3.665 3.001 ( 2.529 -3.330 4.561) 6.188 3.655 ( -8.219 0.516 -5.373) 9.833 4.867 ( -0.220 -0.803 0.505) 0.973 4.968 ( -0.393 0.413 0.767) 0.956 5.591 ( -0.885 0.624 -0.277) 1.117 5.744 ( -2.697 0.880 0.076) 2.838 5.865 ( -0.281 -1.360 0.677) 1.545 6.233 ( -0.476 0.748 0.829) 1.214 6.299 ( -0.948 1.073 0.314) 1.466 6.393 ( -1.912 2.161 -1.751) 3.375 7.592 ( -0.422 -0.181 0.730) 0.862 7.710 ( 0.446 0.148 -0.468) 0.663 8.561 ( -0.323 -1.290 -0.389) 1.385 8.642 ( 0.541 0.665 -0.520) 1.002 13.826 ( -3.939 4.146 -0.338) 5.729 14.131 ( -5.725 -0.347 -4.739) 7.440 14.782 ( -3.132 9.152 5.881) 11.321 15.397 ( 0.882 0.142 2.299) 2.467 17.785 ( 0.147 0.209 -0.290) 0.387 18.085 ( 0.919 -0.365 -1.231) 1.579 18.582 ( -0.134 -1.086 2.556) 2.781 20.006 ( 0.698 -0.431 2.108) 2.262 20.254 ( 2.538 -0.573 -0.702) 2.695 20.770 ( -0.463 2.392 -1.760) 3.006 21.961 ( -3.039 1.187 -0.127) 3.265 22.831 ( 1.126 -0.633 1.083) 1.685 45.594 ( 0.260 -1.957 0.527) 2.044 45.787 ( -1.408 0.913 0.354) 1.715 46.235 ( 4.584 -0.917 0.930) 4.766 46.402 ( -4.205 -6.905 -5.393) 9.719 98.741 ( 0.278 -0.601 -0.219) 0.698 98.833 ( 0.454 -0.227 -0.088) 0.515 99.275 ( 0.135 -0.097 -0.385) 0.419 99.339 ( -0.540 -1.065 -0.399) 1.259 99.668 ( 0.496 0.961 0.147) 1.092 99.908 ( -8.201 -7.695 -4.664) 12.174 100.282 ( -0.291 0.206 -0.864) 0.935 101.066 ( 15.457 12.866 8.166) 21.706 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 3.304 -9.268 1.799) 10.003 0.987 ( 4.791 -14.341 0.348) 15.124 1.438 ( 2.562 -0.752 -1.279) 2.961 1.651 ( 0.228 3.444 0.421) 3.477 1.745 ( -0.381 1.530 -1.102) 1.924 1.804 ( 2.879 -4.865 -0.099) 5.654 1.979 ( 0.313 2.880 -3.343) 4.424 2.039 ( 2.536 -3.068 2.340) 4.618 2.140 ( 4.362 -2.133 3.130) 5.777 2.181 ( 7.061 -4.093 -0.499) 8.177 2.405 ( -4.554 -0.648 -2.963) 5.471 2.516 ( 2.233 -0.771 4.295) 4.902 2.626 ( 2.478 1.864 0.133) 3.104 2.704 ( 0.959 -2.104 -2.123) 3.140 2.800 ( -0.899 0.516 1.001) 1.441 2.927 ( 6.732 -0.237 3.262) 7.485 3.085 ( 1.920 -1.713 2.429) 3.539 3.498 ( -8.130 5.051 -5.329) 10.955 4.882 ( 0.028 -1.011 0.089) 1.015 4.959 ( -0.356 0.566 0.679) 0.953 5.564 ( -0.635 1.116 -0.615) 1.423 5.709 ( -2.887 -0.138 0.481) 2.930 5.881 ( -0.205 -0.596 0.545) 0.833 6.220 ( -0.859 0.283 -1.137) 1.452 6.272 ( -0.426 2.292 2.567) 3.468 6.332 ( -1.435 1.277 -1.844) 2.663 7.597 ( -0.321 -0.431 0.820) 0.980 7.707 ( 0.305 0.395 -0.601) 0.781 8.575 ( -0.552 -1.235 -0.483) 1.436 8.636 ( 0.856 0.805 -0.331) 1.221 13.710 ( -4.431 3.963 -0.138) 5.946 14.061 ( -4.584 -0.688 -3.853) 6.027 14.632 ( -3.771 7.652 4.933) 9.854 15.418 ( 0.426 -1.184 -0.093) 1.262 17.784 ( 0.130 0.102 0.070) 0.179 18.094 ( 0.449 -0.296 -0.480) 0.721 18.608 ( -0.095 -0.927 2.104) 2.301 20.021 ( -0.011 0.069 1.900) 1.902 20.299 ( 3.132 -1.229 -0.411) 3.389 20.714 ( -1.373 2.097 -1.719) 3.039 21.910 ( -2.356 1.253 -0.139) 2.672 22.857 ( 0.964 -0.513 0.996) 1.478 45.634 ( 0.226 -2.324 0.754) 2.454 45.755 ( -1.259 1.446 0.370) 1.952 46.304 ( 4.447 -0.758 1.241) 4.678 46.438 ( -1.290 -3.781 -3.906) 5.587 98.754 ( 0.020 -0.633 0.308) 0.704 98.841 ( 0.492 -0.203 0.032) 0.533 99.277 ( 0.144 -0.151 -0.355) 0.412 99.347 ( -0.177 -0.555 -0.133) 0.597 99.660 ( 0.458 0.753 0.050) 0.883 99.919 ( -4.017 -3.864 -2.425) 6.078 100.280 ( 0.065 -0.492 -0.465) 0.680 101.055 ( 7.271 6.921 3.547) 10.647 ======================= Grid point 4 (5/160) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 1.079 -3.462 0.338) 3.642 1.226 ( 2.762 -8.952 0.508) 9.383 1.449 ( 0.584 0.193 -0.646) 0.892 1.547 ( -1.355 6.004 -0.396) 6.168 1.724 ( -0.162 0.433 -0.830) 0.950 1.810 ( -0.536 0.650 -0.456) 0.958 1.933 ( 0.027 1.266 -1.202) 1.746 2.077 ( 0.292 -0.193 0.319) 0.473 2.239 ( 3.174 -1.792 1.327) 3.879 2.281 ( -1.476 -0.399 -1.573) 2.194 2.492 ( 2.968 -7.490 1.481) 8.191 2.555 ( 2.355 1.450 1.816) 3.309 2.664 ( 4.570 -2.363 0.673) 5.189 2.723 ( -0.254 -1.097 -2.068) 2.355 2.772 ( -1.899 1.439 2.909) 3.761 3.013 ( 3.752 -0.576 1.878) 4.235 3.116 ( 0.110 -0.389 0.314) 0.511 3.301 ( -5.774 5.220 -3.850) 8.684 4.897 ( 0.078 -0.575 -0.057) 0.584 4.951 ( -0.156 0.355 0.320) 0.503 5.545 ( -0.054 0.435 -0.319) 0.542 5.691 ( -1.399 -0.266 0.336) 1.464 5.885 ( -0.104 0.014 0.148) 0.181 6.199 ( -0.420 0.238 -1.607) 1.678 6.239 ( -0.794 1.445 1.790) 2.434 6.317 ( 0.130 -0.090 -0.365) 0.398 7.604 ( -0.117 -0.272 0.406) 0.502 7.701 ( 0.101 0.257 -0.315) 0.419 8.584 ( -0.313 -0.555 -0.256) 0.686 8.632 ( 0.453 0.422 -0.080) 0.624 13.626 ( -1.967 1.634 -0.032) 2.557 14.026 ( -1.645 -0.570 -1.464) 2.275 14.525 ( -1.754 3.232 1.905) 4.141 15.437 ( 0.286 -0.643 -0.309) 0.769 17.785 ( 0.054 0.021 0.103) 0.119 18.099 ( 0.131 -0.109 -0.130) 0.214 18.625 ( -0.035 -0.357 0.796) 0.874 20.025 ( -0.082 0.088 0.743) 0.752 20.341 ( 1.468 -0.676 -0.058) 1.617 20.670 ( -0.788 0.935 -0.749) 1.434 21.877 ( -0.896 0.515 -0.081) 1.036 22.874 ( 0.374 -0.192 0.404) 0.583 45.677 ( 0.386 -2.213 0.440) 2.289 45.718 ( -0.789 1.876 0.064) 2.036 46.353 ( 1.985 -0.251 0.762) 2.142 46.456 ( -0.444 -1.286 -1.692) 2.171 98.762 ( -0.018 -0.269 0.191) 0.330 98.848 ( 0.223 -0.080 0.043) 0.241 99.279 ( 0.063 -0.084 -0.148) 0.181 99.351 ( -0.052 -0.164 -0.026) 0.174 99.655 ( 0.184 0.273 0.002) 0.329 99.924 ( -1.261 -1.177 -0.780) 1.893 100.289 ( 0.123 -0.382 -0.110) 0.416 101.040 ( 2.139 2.357 0.951) 3.322 ======================= Grid point 10 (6/160) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( 13.952 -0.000 1.340) 14.016 0.384 ( 13.697 -0.000 11.316) 17.767 0.877 ( 33.365 -0.000 14.134) 36.235 1.473 ( 4.782 -0.000 -1.810) 5.113 1.652 ( 2.858 -0.000 0.539) 2.909 1.912 ( -2.511 0.000 -4.225) 4.915 1.962 ( 4.415 -0.000 1.506) 4.665 2.046 ( 1.977 -0.000 0.088) 1.979 2.076 ( 0.260 -0.000 -1.248) 1.275 2.422 ( -2.993 0.000 -2.543) 3.927 2.481 ( 0.158 -0.000 -4.438) 4.440 2.619 ( 2.700 -0.000 0.479) 2.742 2.644 ( -0.052 0.000 1.896) 1.896 2.713 ( 2.380 -0.000 0.362) 2.407 2.750 ( -4.574 0.000 3.749) 5.914 2.787 ( 5.366 -0.000 -2.249) 5.818 2.942 ( 0.434 -0.000 0.565) 0.713 3.516 ( 0.626 -0.000 -1.668) 1.781 4.854 ( -0.890 0.000 1.826) 2.031 4.975 ( -0.418 0.000 1.203) 1.274 5.594 ( -1.016 0.000 0.144) 1.026 5.788 ( -0.735 0.000 -0.526) 0.904 5.815 ( -0.785 0.000 1.480) 1.675 6.256 ( -2.053 0.000 1.018) 2.291 6.299 ( -0.316 0.000 0.084) 0.327 6.404 ( -2.932 0.000 -2.341) 3.752 7.591 ( -0.715 0.000 0.693) 0.995 7.711 ( 0.552 -0.000 -0.107) 0.562 8.538 ( -0.280 0.000 -0.504) 0.576 8.651 ( 0.599 -0.000 -0.625) 0.866 13.905 ( -3.609 0.000 -0.432) 3.634 14.121 ( -5.802 0.000 -4.640) 7.429 14.972 ( -4.016 0.000 4.930) 6.358 15.485 ( -13.653 0.000 4.479) 14.369 17.790 ( 0.280 -0.000 -0.963) 1.003 18.080 ( 2.882 -0.000 -5.578) 6.279 18.563 ( -0.249 0.000 3.633) 3.642 19.996 ( 1.451 -0.000 2.626) 3.000 20.247 ( 1.802 -0.000 -1.203) 2.167 20.846 ( -1.270 0.000 -3.846) 4.051 21.962 ( -2.494 0.000 0.847) 2.634 22.821 ( 1.509 -0.000 1.306) 1.995 45.566 ( 1.793 -0.000 -2.084) 2.750 45.787 ( -2.068 0.000 1.127) 2.355 46.097 ( 6.258 -0.000 -1.055) 6.346 46.220 ( 5.233 -0.000 0.716) 5.281 98.737 ( 1.763 -0.000 -3.863) 4.247 98.823 ( -0.267 0.000 0.737) 0.784 99.280 ( 1.038 -0.000 -0.207) 1.059 99.286 ( 0.729 -0.000 0.651) 0.978 99.677 ( 1.443 -0.000 0.263) 1.467 99.705 ( 2.174 -0.000 0.444) 2.219 100.291 ( -0.773 0.000 -1.441) 1.635 101.564 ( -5.111 0.000 0.861) 5.183 ======================= Grid point 11 (7/160) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 11.715 -10.382 0.237) 15.655 0.643 ( 12.777 -6.505 9.017) 16.937 1.338 ( 26.009 -6.619 10.648) 28.874 1.523 ( 5.734 -1.172 -1.088) 5.953 1.697 ( 2.479 -1.329 0.966) 2.974 1.848 ( -0.155 2.669 -5.410) 6.035 2.006 ( 1.251 -1.052 -0.814) 1.826 2.055 ( 1.816 1.041 -1.684) 2.687 2.101 ( 3.639 -0.251 0.770) 3.728 2.339 ( 0.558 7.041 -1.545) 7.230 2.459 ( 0.135 3.365 -3.587) 4.920 2.490 ( 0.872 4.657 1.870) 5.093 2.656 ( 0.783 -0.631 0.675) 1.211 2.689 ( 2.623 1.734 -0.599) 3.201 2.786 ( -0.017 -1.167 0.224) 1.189 2.940 ( 2.288 -0.122 0.269) 2.307 2.960 ( 1.679 -7.150 3.901) 8.316 3.540 ( -3.132 -2.174 -3.014) 4.860 4.856 ( -0.326 -0.460 0.637) 0.851 4.974 ( -0.449 0.299 1.471) 1.567 5.582 ( -1.373 0.060 0.051) 1.375 5.749 ( -1.359 2.380 -0.028) 2.741 5.838 ( -0.508 -1.979 1.266) 2.404 6.233 ( -1.756 0.487 0.903) 2.034 6.294 ( -1.307 -0.182 0.479) 1.404 6.359 ( -4.492 -0.356 -2.611) 5.208 7.587 ( -0.826 -0.133 0.916) 1.241 7.716 ( 0.596 0.133 -0.282) 0.673 8.538 ( -0.495 -0.783 -0.665) 1.141 8.653 ( 0.729 0.221 -0.824) 1.122 13.835 ( -4.714 2.807 -0.325) 5.496 14.039 ( -5.752 -0.498 -4.824) 7.524 14.881 ( -7.307 6.444 5.651) 11.263 15.347 ( -11.526 -1.589 1.292) 11.707 17.787 ( 0.317 0.085 -0.847) 0.908 18.086 ( 1.549 -0.125 -2.493) 2.938 18.583 ( -0.296 -0.489 4.549) 4.585 20.023 ( 0.492 -0.010 3.432) 3.467 20.268 ( 2.963 -0.527 -1.913) 3.565 20.788 ( -1.607 2.188 -3.483) 4.416 21.938 ( -3.113 0.209 0.986) 3.272 22.848 ( 1.869 -0.118 1.655) 2.499 45.583 ( 1.548 -0.676 -0.196) 1.701 45.780 ( -1.398 -0.146 0.982) 1.715 46.234 ( 3.122 -7.531 -3.149) 8.739 46.290 ( 6.507 -0.278 1.051) 6.597 98.738 ( 0.893 -0.133 -1.425) 1.687 98.831 ( 0.172 -0.506 0.619) 0.818 99.279 ( 0.747 0.529 -0.269) 0.954 99.317 ( 0.411 -1.343 0.441) 1.472 99.680 ( 0.574 0.963 -0.494) 1.225 99.781 ( 2.382 -4.245 0.559) 4.900 100.274 ( -0.574 0.054 -1.676) 1.772 101.393 ( -0.614 11.671 1.249) 11.753 ======================= Grid point 12 (8/160) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 9.627 -11.649 -1.014) 15.146 0.905 ( 10.818 -5.179 7.641) 14.221 1.507 ( 6.454 2.518 -0.340) 6.937 1.696 ( 2.990 -1.132 0.582) 3.250 1.755 ( -0.309 1.556 -0.517) 1.669 1.824 ( 10.604 -1.559 -0.008) 10.718 2.022 ( 1.365 2.775 -2.799) 4.172 2.035 ( 1.348 -1.287 0.094) 1.866 2.181 ( 6.646 -2.030 1.641) 7.140 2.266 ( 6.158 2.751 1.434) 6.895 2.342 ( -2.968 4.007 -2.229) 5.461 2.544 ( 3.210 -2.267 2.288) 4.548 2.661 ( -1.315 1.004 0.796) 1.836 2.686 ( 2.383 -0.031 -2.549) 3.490 2.798 ( -0.703 -0.188 0.965) 1.208 2.982 ( 2.480 -1.267 2.036) 3.450 3.074 ( 1.352 -3.078 1.419) 3.649 3.476 ( -3.775 3.332 -3.405) 6.078 4.867 ( 0.034 -0.892 0.105) 0.899 4.969 ( -0.343 0.600 1.340) 1.508 5.562 ( -1.404 0.424 -0.352) 1.508 5.703 ( -0.829 1.618 0.408) 1.863 5.867 ( -0.189 -1.331 1.012) 1.683 6.210 ( -1.516 0.697 -1.247) 2.083 6.277 ( -3.805 -0.087 1.661) 4.152 6.308 ( -2.470 -0.354 -1.600) 2.964 7.587 ( -0.811 -0.487 1.168) 1.503 7.715 ( 0.472 0.442 -0.560) 0.855 8.544 ( -0.768 -1.271 -0.745) 1.661 8.653 ( 0.817 0.401 -0.741) 1.174 13.726 ( -4.386 3.935 -0.223) 5.896 13.983 ( -3.043 -1.414 -4.064) 5.270 14.701 ( -9.484 6.898 4.995) 12.747 15.308 ( -9.403 -6.411 -0.323) 11.385 17.787 ( 0.262 0.072 -0.404) 0.487 18.093 ( 0.799 -0.199 -1.233) 1.482 18.610 ( -0.258 -0.515 4.167) 4.206 20.034 ( -0.537 0.375 3.131) 3.199 20.307 ( 2.988 -1.159 -2.038) 3.798 20.721 ( -1.734 1.991 -3.002) 3.998 21.903 ( -2.308 0.851 0.995) 2.654 22.875 ( 1.657 0.166 1.582) 2.297 45.617 ( 1.457 -1.331 0.552) 2.050 45.767 ( -0.564 0.935 0.894) 1.411 46.331 ( 2.238 -2.954 -3.253) 4.931 46.378 ( 5.521 -1.766 1.103) 5.900 98.747 ( 0.420 -0.469 -0.254) 0.679 98.845 ( 0.593 -0.314 0.542) 0.862 99.277 ( 0.517 0.263 -0.491) 0.759 99.338 ( 0.202 -0.685 0.592) 0.927 99.663 ( -0.139 0.833 -1.362) 1.603 99.871 ( 3.157 -2.611 1.545) 4.378 100.268 ( 0.006 -0.582 -1.225) 1.356 101.230 ( -0.960 8.541 0.099) 8.595 ======================= Grid point 13 (9/160) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 10.075 -2.048 1.332) 10.367 1.120 ( 5.661 -9.125 3.710) 11.361 1.527 ( 6.228 3.527 1.663) 7.348 1.653 ( 0.083 7.651 -0.415) 7.662 1.706 ( -1.440 -0.676 -2.387) 2.869 1.882 ( 5.656 3.725 -0.810) 6.821 1.960 ( 0.055 3.078 -1.595) 3.467 2.076 ( 0.232 -0.568 0.373) 0.718 2.261 ( 1.436 0.857 -3.483) 3.863 2.282 ( 3.788 0.070 2.669) 4.635 2.430 ( 6.306 -6.367 2.789) 9.385 2.599 ( 1.049 1.129 1.022) 1.849 2.657 ( 0.860 -2.642 1.061) 2.974 2.698 ( 0.539 -0.802 -1.786) 2.030 2.787 ( -0.786 0.969 0.970) 1.580 3.016 ( -2.206 -0.666 1.516) 2.758 3.107 ( -0.065 -0.484 -1.206) 1.301 3.351 ( -0.593 6.119 -1.438) 6.314 4.884 ( 0.216 -1.011 -0.101) 1.039 4.961 ( -0.197 0.750 0.968) 1.240 5.541 ( -1.164 0.178 -0.433) 1.255 5.693 ( 1.442 0.222 0.581) 1.571 5.883 ( -0.016 -0.314 0.472) 0.568 6.166 ( -2.871 -0.283 -3.137) 4.262 6.247 ( -2.233 0.235 1.456) 2.676 6.303 ( -1.402 -0.974 0.740) 1.861 7.594 ( -0.729 -0.676 1.160) 1.528 7.708 ( 0.347 0.576 -0.676) 0.954 8.555 ( -0.871 -1.533 -0.604) 1.864 8.649 ( 0.627 0.710 -0.500) 1.072 13.639 ( -1.479 2.306 -0.263) 2.752 13.989 ( 1.377 -2.446 -3.175) 4.238 14.535 ( -8.836 3.458 3.492) 10.111 15.325 ( -8.717 -7.361 -0.092) 11.410 17.786 ( 0.128 0.097 -0.250) 0.297 18.098 ( 0.386 -0.166 -0.732) 0.844 18.629 ( -0.176 -0.102 2.844) 2.851 20.032 ( -0.661 0.469 1.877) 2.045 20.338 ( 1.040 -0.795 -1.809) 2.233 20.670 ( -0.846 0.890 -1.924) 2.283 21.878 ( -0.741 0.569 0.972) 1.348 22.889 ( 1.010 0.686 1.058) 1.616 45.659 ( 1.514 -1.583 0.511) 2.249 45.746 ( 0.080 1.814 0.542) 1.894 46.358 ( 0.585 -0.436 -2.804) 2.898 46.457 ( 4.035 -0.735 1.677) 4.431 98.758 ( 0.176 -0.451 0.027) 0.485 98.855 ( 0.603 0.186 0.378) 0.736 99.277 ( 0.288 0.000 -0.499) 0.576 99.350 ( 0.117 -0.250 0.683) 0.736 99.643 ( -0.707 0.095 -1.798) 1.934 99.947 ( 4.816 -0.361 2.973) 5.671 100.278 ( 0.211 -0.872 -0.707) 1.143 101.094 ( -3.415 5.243 -1.476) 6.429 ======================= Grid point 14 (10/160) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 6.832 4.647 2.984) 8.785 1.290 ( 2.503 -1.926 1.550) 3.518 1.525 ( 0.600 5.999 -1.370) 6.183 1.545 ( 6.431 3.793 3.848) 8.399 1.702 ( -1.179 -1.541 -0.882) 2.131 1.884 ( 6.101 3.718 2.188) 7.472 1.929 ( 0.668 0.137 -1.354) 1.516 2.074 ( -0.415 0.180 -0.343) 0.567 2.244 ( 0.243 1.236 -1.234) 1.764 2.324 ( 2.208 1.896 0.734) 3.001 2.486 ( -4.196 -0.398 -1.503) 4.475 2.582 ( 1.854 3.235 0.421) 3.752 2.637 ( -7.103 3.796 -1.629) 8.217 2.737 ( 2.512 -2.649 -0.229) 3.658 2.767 ( 0.548 0.990 -1.637) 1.990 2.954 ( -7.489 1.366 -1.327) 7.727 3.105 ( -1.372 -0.653 -0.407) 1.573 3.342 ( 7.357 -1.238 3.258) 8.141 4.899 ( 0.163 -0.402 -0.047) 0.436 4.952 ( -0.041 0.470 0.351) 0.588 5.531 ( -0.917 -0.659 -0.040) 1.130 5.725 ( 3.995 0.170 0.172) 4.002 5.885 ( 0.066 0.063 0.075) 0.118 6.154 ( -1.916 -3.275 -2.295) 4.435 6.233 ( -0.779 0.299 0.523) 0.985 6.306 ( -1.538 -0.855 1.230) 2.147 7.601 ( -0.571 -0.362 0.635) 0.927 7.702 ( 0.252 0.244 -0.362) 0.503 8.569 ( -0.694 -1.576 -0.185) 1.732 8.639 ( 0.263 0.945 -0.246) 1.011 13.630 ( 2.310 -0.731 -0.296) 2.441 14.051 ( 5.078 -1.945 -1.608) 5.671 14.456 ( -5.695 -2.420 1.113) 6.287 15.345 ( -8.476 -6.251 0.752) 10.558 17.783 ( -0.017 0.098 -0.386) 0.399 18.100 ( 0.142 -0.012 -0.426) 0.449 18.633 ( -0.083 0.554 1.184) 1.310 20.025 ( -0.385 0.348 0.360) 0.632 20.330 ( -1.469 0.488 -1.443) 2.116 20.664 ( 0.619 -0.921 -0.460) 1.201 21.881 ( 0.775 -0.347 0.921) 1.253 22.884 ( 0.251 1.154 0.299) 1.218 45.700 ( 1.308 -0.975 0.026) 1.632 45.718 ( 0.742 1.867 0.091) 2.011 46.335 ( -1.590 1.012 -2.268) 2.949 46.502 ( 2.658 0.786 2.604) 3.804 98.763 ( 0.072 -0.109 -0.141) 0.192 98.854 ( 0.263 0.613 0.113) 0.676 99.278 ( 0.070 -0.064 -0.300) 0.314 99.356 ( 0.163 0.043 0.647) 0.668 99.630 ( -1.001 -0.685 -1.628) 2.030 100.016 ( 7.181 1.760 4.369) 8.588 100.287 ( -0.057 -0.362 -0.410) 0.550 100.975 ( -6.776 1.700 -3.039) 7.618 ======================= Grid point 15 (11/160) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 3.949 11.459 1.217) 12.182 1.181 ( -1.770 13.438 2.137) 13.721 1.500 ( 4.431 3.669 1.436) 5.929 1.610 ( 4.072 -2.459 1.410) 4.962 1.711 ( -1.913 -1.839 -0.482) 2.697 1.905 ( 3.817 4.553 4.593) 7.510 1.959 ( 2.272 -1.158 -0.860) 2.691 2.057 ( -1.244 1.780 -1.613) 2.705 2.161 ( -4.667 8.455 -3.946) 10.432 2.199 ( -4.860 4.924 0.676) 6.951 2.421 ( -1.991 0.857 -3.541) 4.152 2.523 ( -1.843 -0.393 1.319) 2.300 2.579 ( 1.389 1.157 -0.439) 1.860 2.739 ( -0.177 2.157 0.364) 2.194 2.789 ( -1.347 -0.138 -0.171) 1.365 2.842 ( -5.682 -0.536 -2.494) 6.229 3.067 ( -3.647 1.116 -2.011) 4.312 3.520 ( 8.044 -6.032 4.129) 10.869 4.896 ( 0.012 0.749 0.022) 0.749 4.952 ( 0.185 -0.366 -0.183) 0.448 5.546 ( -0.141 -1.726 0.344) 1.766 5.759 ( 4.315 1.264 -0.142) 4.499 5.886 ( 0.142 0.038 -0.135) 0.199 6.197 ( -1.425 -4.414 -2.489) 5.264 6.225 ( -0.206 -0.356 0.853) 0.947 6.319 ( -0.428 -1.697 1.294) 2.176 7.599 ( -0.267 0.094 -0.057) 0.288 7.703 ( 0.055 -0.166 0.138) 0.223 8.586 ( -0.160 -0.933 0.231) 0.974 8.625 ( -0.187 0.618 -0.068) 0.649 13.698 ( 3.990 -3.183 -0.187) 5.108 14.131 ( 5.793 -0.659 1.503) 6.021 14.500 ( -1.599 -7.826 -2.462) 8.359 15.350 ( -7.005 -4.416 0.752) 8.315 17.780 ( -0.078 -0.040 -0.377) 0.387 18.097 ( -0.056 0.244 -0.133) 0.283 18.621 ( -0.013 1.189 -0.203) 1.206 20.016 ( -0.167 0.276 -0.718) 0.787 20.287 ( -2.475 1.300 -0.713) 2.885 20.700 ( 1.098 -2.076 0.512) 2.404 21.912 ( 1.610 -1.363 0.705) 2.224 22.863 ( -0.292 1.376 -0.301) 1.439 45.674 ( 0.347 2.768 -0.515) 2.837 45.746 ( 1.614 -1.383 -0.067) 2.126 46.278 ( -2.790 1.771 -1.451) 3.609 46.517 ( 1.973 1.796 3.074) 4.070 98.761 ( 0.064 0.359 -0.331) 0.493 98.845 ( -0.098 0.664 0.029) 0.672 99.277 ( -0.097 0.015 -0.072) 0.121 99.358 ( 0.265 0.290 0.530) 0.660 99.628 ( -0.980 -1.231 -1.081) 1.909 100.088 ( 10.527 3.671 5.796) 12.565 100.285 ( -0.151 0.148 -0.087) 0.229 100.860 ( -11.672 -1.465 -5.343) 12.920 ======================= Grid point 16 (12/160) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 1.445 16.573 -2.061) 16.763 0.924 ( -1.851 17.419 3.727) 17.910 1.427 ( 0.683 16.617 -0.663) 16.644 1.598 ( -3.923 9.623 -0.968) 10.437 1.679 ( -4.125 2.603 -1.826) 5.209 1.758 ( 0.251 -3.344 -0.261) 3.363 1.992 ( -0.309 -1.891 4.731) 5.104 2.036 ( -0.093 0.893 -2.784) 2.925 2.116 ( 5.301 1.650 1.237) 5.688 2.139 ( 0.184 0.701 0.877) 1.138 2.379 ( -2.745 -1.033 -1.469) 3.280 2.514 ( -6.779 -3.176 -2.986) 8.060 2.601 ( 4.410 0.383 2.821) 5.249 2.687 ( -1.488 2.433 -1.043) 3.037 2.743 ( -0.615 0.590 1.720) 1.919 2.838 ( -2.130 -0.500 -1.164) 2.478 2.993 ( -2.607 1.722 -2.861) 4.237 3.699 ( 5.066 -5.231 2.779) 7.794 4.881 ( 0.045 1.009 -0.129) 1.019 4.962 ( 0.192 -0.534 -0.234) 0.614 5.579 ( 0.294 -1.809 0.283) 1.855 5.776 ( 2.629 1.114 0.001) 2.855 5.881 ( 0.118 0.686 -0.244) 0.737 6.202 ( -1.681 -1.590 -1.238) 2.624 6.277 ( 1.232 -3.008 0.250) 3.260 6.361 ( -0.077 -2.990 0.794) 3.095 7.595 ( 0.014 0.150 -0.258) 0.298 7.706 ( -0.119 -0.144 0.243) 0.306 8.586 ( 0.178 1.143 0.161) 1.168 8.625 ( -0.283 -1.009 0.166) 1.061 13.794 ( 2.519 -4.139 0.047) 4.846 14.204 ( 4.167 -0.273 2.588) 4.913 14.623 ( 0.037 -9.777 -3.323) 10.327 15.344 ( -3.982 -1.991 -0.455) 4.475 17.781 ( -0.057 -0.252 -0.097) 0.275 18.090 ( -0.206 0.478 0.152) 0.542 18.596 ( 0.021 1.508 -0.730) 1.676 20.004 ( -0.258 0.654 -0.854) 1.106 20.243 ( -1.592 0.888 -0.033) 1.823 20.746 ( 0.497 -2.066 0.599) 2.208 21.959 ( 1.449 -2.024 0.349) 2.514 22.835 ( -0.395 1.296 -0.411) 1.416 45.630 ( 0.168 2.737 -0.426) 2.775 45.781 ( 0.954 -1.185 -0.116) 1.526 46.216 ( -2.206 1.794 -0.646) 2.916 46.523 ( 2.348 1.737 2.731) 3.999 98.751 ( 0.034 0.688 -0.209) 0.720 98.834 ( -0.232 0.458 0.086) 0.521 99.276 ( -0.110 0.031 0.045) 0.123 99.357 ( 0.320 0.449 0.370) 0.664 99.638 ( -0.600 -1.486 -0.468) 1.669 100.189 ( 15.959 4.798 7.892) 18.439 100.285 ( 0.423 -0.014 0.713) 0.829 100.703 ( -19.069 -2.742 -9.289) 21.388 ======================= Grid point 17 (13/160) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 0.000 18.818 -0.000) 18.818 0.626 ( 0.000 19.431 -0.000) 19.431 0.980 ( 0.000 29.570 -0.000) 29.570 1.490 ( 0.000 4.110 -0.000) 4.110 1.641 ( 0.000 1.095 -0.000) 1.095 1.826 ( -0.000 -3.868 0.000) 3.868 2.007 ( 0.000 0.821 -0.000) 0.821 2.021 ( 0.000 0.465 -0.000) 0.465 2.116 ( 0.000 1.309 -0.000) 1.309 2.138 ( 0.000 0.499 -0.000) 0.499 2.415 ( -0.000 -4.411 0.000) 4.411 2.511 ( -0.000 -3.783 0.000) 3.783 2.643 ( 0.000 1.583 -0.000) 1.583 2.650 ( -0.000 -1.239 0.000) 1.239 2.756 ( 0.000 0.842 -0.000) 0.842 2.779 ( 0.000 2.328 -0.000) 2.328 2.952 ( 0.000 1.194 -0.000) 1.194 3.810 ( -0.000 -3.875 0.000) 3.875 4.867 ( 0.000 0.782 -0.000) 0.782 4.969 ( -0.000 -0.346 0.000) 0.346 5.602 ( -0.000 -0.650 0.000) 0.650 5.783 ( -0.000 -0.310 0.000) 0.310 5.865 ( 0.000 1.227 -0.000) 1.227 6.222 ( -0.000 -2.238 0.000) 2.238 6.323 ( -0.000 -1.469 0.000) 1.469 6.410 ( -0.000 -2.845 0.000) 2.845 7.593 ( 0.000 0.041 -0.000) 0.041 7.707 ( 0.000 0.025 -0.000) 0.025 8.566 ( 0.000 1.303 -0.000) 1.303 8.641 ( -0.000 -0.861 0.000) 0.861 13.873 ( -0.000 -3.922 0.000) 3.922 14.234 ( 0.000 0.392 -0.000) 0.392 14.773 ( -0.000 -9.687 0.000) 9.687 15.321 ( 0.000 1.677 -0.000) 1.677 17.785 ( -0.000 -0.323 0.000) 0.323 18.081 ( 0.000 0.514 -0.000) 0.514 18.571 ( 0.000 1.318 -0.000) 1.318 19.985 ( 0.000 1.073 -0.000) 1.073 20.229 ( 0.000 0.003 -0.000) 0.003 20.777 ( -0.000 -1.343 0.000) 1.343 22.003 ( -0.000 -2.034 0.000) 2.034 22.813 ( 0.000 0.948 -0.000) 0.948 45.590 ( 0.000 2.162 -0.000) 2.162 45.802 ( -0.000 -0.862 0.000) 0.862 46.177 ( 0.000 1.268 -0.000) 1.268 46.533 ( 0.000 0.499 -0.000) 0.499 98.739 ( 0.000 0.723 -0.000) 0.723 98.827 ( 0.000 0.229 -0.000) 0.229 99.275 ( 0.000 0.013 -0.000) 0.013 99.354 ( 0.000 0.373 -0.000) 0.373 99.657 ( -0.000 -1.332 0.000) 1.332 100.282 ( -0.000 -0.492 0.000) 0.492 100.414 ( 0.000 3.325 -0.000) 3.325 100.421 ( -0.000 -0.685 0.000) 0.685 ======================= Grid point 20 (14/160) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 14.037 -0.000 0.952) 14.070 0.786 ( 15.418 -0.000 7.872) 17.312 1.570 ( 5.447 -0.000 -1.989) 5.798 1.619 ( 20.567 -0.000 8.851) 22.391 1.700 ( 1.640 -0.000 1.403) 2.158 1.867 ( 5.670 -0.000 -5.404) 7.832 1.995 ( 0.441 -0.000 -1.662) 1.720 2.084 ( 2.455 -0.000 -1.250) 2.755 2.146 ( 2.401 -0.000 1.690) 2.936 2.345 ( -2.334 0.000 -0.331) 2.358 2.459 ( 3.910 -0.000 -5.015) 6.358 2.602 ( -4.920 0.000 -0.224) 4.925 2.702 ( 4.114 -0.000 -0.400) 4.133 2.753 ( 1.131 -0.000 3.886) 4.047 2.760 ( 2.508 -0.000 -0.330) 2.530 2.884 ( 4.837 -0.000 -2.234) 5.328 2.960 ( 0.467 -0.000 3.112) 3.146 3.512 ( 0.020 -0.000 -0.324) 0.325 4.852 ( -0.147 0.000 0.290) 0.325 4.981 ( -0.341 0.000 1.870) 1.900 5.567 ( -1.597 0.000 0.241) 1.615 5.774 ( 0.420 -0.000 -0.860) 0.957 5.810 ( -1.324 0.000 2.347) 2.695 6.218 ( -2.582 0.000 1.366) 2.921 6.277 ( -1.875 0.000 0.375) 1.912 6.287 ( -5.452 0.000 -3.053) 6.249 7.580 ( -0.971 0.000 0.948) 1.357 7.723 ( 0.518 -0.000 -0.123) 0.533 8.522 ( -0.686 0.000 -0.806) 1.058 8.657 ( 0.615 -0.000 -1.067) 1.231 13.806 ( -4.901 0.000 0.170) 4.904 13.959 ( -4.424 0.000 -3.588) 5.696 14.870 ( -9.911 0.000 4.400) 10.844 15.148 ( -18.550 0.000 -1.000) 18.577 17.788 ( 0.448 -0.000 -0.917) 1.021 18.090 ( 1.256 -0.000 -2.178) 2.514 18.600 ( -0.390 0.000 5.631) 5.645 20.041 ( -0.601 0.000 4.243) 4.286 20.285 ( 3.268 -0.000 -3.041) 4.464 20.764 ( -2.647 0.000 -4.194) 4.959 21.916 ( -2.503 0.000 1.868) 3.123 22.878 ( 2.242 -0.000 1.908) 2.944 45.599 ( 2.283 -0.000 -0.373) 2.313 45.775 ( -0.234 0.000 1.747) 1.763 46.226 ( 6.477 -0.000 -1.645) 6.682 46.368 ( 7.318 -0.000 0.909) 7.375 98.740 ( 0.912 -0.000 -1.505) 1.760 98.834 ( 0.465 -0.000 1.384) 1.460 99.298 ( 0.675 -0.000 -0.291) 0.735 99.313 ( 0.900 -0.000 1.068) 1.397 99.715 ( 1.586 -0.000 0.132) 1.591 99.782 ( 4.362 -0.000 0.956) 4.465 100.259 ( -0.353 0.000 -2.157) 2.185 101.422 ( -7.336 0.000 -2.093) 7.629 ======================= Grid point 21 (15/160) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 12.302 -6.063 0.604) 13.728 1.010 ( 14.474 -3.059 5.801) 15.890 1.597 ( 3.709 1.422 -0.655) 4.026 1.672 ( -1.619 -1.649 -1.811) 2.936 1.815 ( 4.700 1.955 0.710) 5.140 1.945 ( 9.908 1.508 -2.156) 10.252 2.019 ( 2.421 -2.246 -0.053) 3.303 2.087 ( 2.642 3.487 0.070) 4.375 2.197 ( 3.600 -3.785 1.653) 5.479 2.310 ( 2.353 1.876 0.754) 3.102 2.494 ( 1.087 6.078 -0.513) 6.196 2.534 ( 2.833 -2.967 -1.310) 4.306 2.700 ( 3.532 4.110 2.659) 6.036 2.718 ( 1.332 2.965 -1.787) 3.710 2.792 ( 0.397 -0.401 -0.029) 0.565 2.965 ( 0.190 -2.721 -0.161) 2.733 3.034 ( 2.676 -4.322 1.919) 5.433 3.496 ( -0.088 2.204 -0.388) 2.239 4.856 ( 0.099 -0.537 -0.018) 0.546 4.983 ( -0.165 0.469 1.775) 1.843 5.550 ( -1.602 0.198 0.074) 1.616 5.741 ( 0.764 2.838 0.280) 2.952 5.842 ( -0.109 -2.359 1.169) 2.635 6.193 ( -3.480 1.045 -2.106) 4.199 6.213 ( -5.400 -1.309 0.700) 5.600 6.268 ( -2.038 -1.077 -0.009) 2.305 7.577 ( -0.917 -0.322 1.060) 1.438 7.724 ( 0.336 0.307 -0.234) 0.512 8.515 ( -0.881 -0.730 -0.846) 1.423 8.658 ( 0.497 -0.023 -1.036) 1.149 13.736 ( -3.895 2.655 0.533) 4.744 13.922 ( -1.283 -1.244 -2.383) 2.979 14.699 ( -13.252 6.149 2.834) 14.881 15.034 ( -16.021 -9.162 -1.522) 18.518 17.789 ( 0.448 0.062 -0.539) 0.704 18.093 ( 0.703 -0.104 -1.471) 1.634 18.623 ( -0.369 -0.154 5.328) 5.343 20.047 ( -1.412 0.311 3.934) 4.191 20.309 ( 2.656 -0.676 -3.372) 4.345 20.707 ( -2.410 0.981 -3.690) 4.515 21.899 ( -1.608 0.486 1.984) 2.600 22.908 ( 2.044 0.370 1.789) 2.741 45.626 ( 2.310 -0.426 0.215) 2.359 45.782 ( 0.395 0.431 1.620) 1.722 46.302 ( 4.428 -2.152 -2.271) 5.422 46.448 ( 6.794 0.138 1.061) 6.877 98.745 ( 0.659 -0.213 -0.722) 1.001 98.851 ( 0.882 -0.308 1.330) 1.625 99.292 ( 0.480 0.831 -0.272) 0.997 99.334 ( 0.459 -0.675 0.946) 1.250 99.694 ( 0.968 3.012 -0.774) 3.257 99.877 ( 4.959 -3.528 1.878) 6.369 100.253 ( 0.269 -0.518 -1.790) 1.882 101.288 ( -6.815 4.848 -2.432) 8.710 ======================= Grid point 22 (16/160) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 9.439 -7.941 0.751) 12.358 1.207 ( 11.364 -0.820 3.306) 11.864 1.627 ( 1.369 -1.728 0.410) 2.242 1.676 ( 2.132 0.434 0.470) 2.226 1.771 ( 1.144 6.321 -0.333) 6.432 1.960 ( 3.734 1.697 -5.744) 7.058 2.025 ( -0.861 3.899 1.016) 4.120 2.067 ( 1.025 -1.357 -0.027) 1.701 2.311 ( 4.072 0.435 1.589) 4.392 2.348 ( 6.974 2.064 0.739) 7.311 2.451 ( 1.370 -0.204 1.472) 2.022 2.614 ( 2.277 -3.391 -1.006) 4.207 2.663 ( 2.483 4.395 -0.060) 5.048 2.702 ( 1.645 1.198 1.084) 2.306 2.793 ( 0.031 0.251 -0.894) 0.930 2.983 ( -3.007 -0.500 2.126) 3.717 3.091 ( 0.338 -0.522 -1.690) 1.801 3.443 ( 1.370 4.552 0.484) 4.778 4.870 ( 0.245 -0.959 -0.152) 1.002 4.978 ( -0.050 0.866 1.369) 1.621 5.528 ( -1.453 0.332 -0.228) 1.508 5.730 ( 2.772 0.970 0.710) 3.022 5.878 ( 0.714 -1.125 0.401) 1.391 6.107 ( -5.320 0.449 -3.088) 6.168 6.212 ( -3.121 -2.025 1.419) 3.982 6.268 ( -1.769 -1.280 0.487) 2.237 7.580 ( -0.790 -0.657 1.118) 1.518 7.718 ( 0.210 0.582 -0.431) 0.754 8.518 ( -0.914 -1.322 -0.748) 1.772 8.658 ( 0.293 0.137 -0.780) 0.844 13.666 ( -0.883 2.582 0.284) 2.743 13.955 ( 3.216 -2.996 -2.187) 4.910 14.485 ( -12.961 3.581 2.120) 13.612 15.042 ( -13.903 -11.695 -0.654) 18.180 17.789 ( 0.293 0.208 -0.300) 0.468 18.095 ( 0.340 -0.202 -1.003) 1.078 18.643 ( -0.266 0.073 3.942) 3.952 20.040 ( -1.290 0.493 2.672) 3.008 20.325 ( 0.919 -0.591 -2.948) 3.144 20.659 ( -1.351 0.448 -2.545) 2.916 21.888 ( -0.401 0.581 1.681) 1.823 22.923 ( 1.384 1.072 1.318) 2.192 45.662 ( 2.118 -0.870 0.380) 2.321 45.780 ( 0.689 1.417 1.132) 1.940 46.347 ( 1.762 -0.489 -2.485) 3.086 46.514 ( 5.116 0.340 1.448) 5.328 98.754 ( 0.389 -0.353 -0.251) 0.582 98.868 ( 0.868 0.126 0.941) 1.286 99.283 ( 0.308 0.533 -0.398) 0.733 99.350 ( 0.166 -0.399 0.893) 0.992 99.651 ( 0.224 2.337 -1.414) 2.741 99.999 ( 5.982 -2.876 3.196) 7.367 100.263 ( 0.502 -0.898 -1.141) 1.537 101.118 ( -6.752 5.824 -2.874) 9.368 ======================= Grid point 23 (17/160) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 5.520 -6.321 1.940) 8.614 1.303 ( 7.943 1.899 1.013) 8.229 1.625 ( -2.659 2.584 -0.314) 3.721 1.653 ( -1.393 4.120 -0.614) 4.393 1.759 ( 11.651 3.138 5.276) 13.169 1.932 ( 0.696 0.969 -3.519) 3.716 2.001 ( 2.435 1.072 1.589) 3.099 2.085 ( 1.462 1.061 0.183) 1.816 2.296 ( 3.834 4.109 -0.151) 5.621 2.375 ( -1.549 2.623 -0.038) 3.046 2.443 ( -1.843 0.253 -0.988) 2.107 2.604 ( -2.108 3.521 -2.320) 4.714 2.675 ( 2.123 -0.548 -1.507) 2.661 2.717 ( 2.885 0.153 2.439) 3.781 2.779 ( 0.405 0.625 -2.455) 2.566 2.916 ( -6.589 4.069 1.882) 7.970 3.072 ( -2.060 -0.233 -1.579) 2.606 3.424 ( 4.675 1.444 2.095) 5.323 4.888 ( 0.225 -1.003 -0.136) 1.037 4.967 ( -0.043 1.064 0.763) 1.310 5.511 ( -1.123 -0.245 -0.227) 1.172 5.771 ( 4.299 -0.502 0.698) 4.384 5.894 ( 1.176 0.411 -0.170) 1.258 6.063 ( -3.476 -2.737 -2.229) 4.954 6.212 ( -2.928 -1.330 0.720) 3.296 6.275 ( -1.241 -1.279 0.810) 1.957 7.589 ( -0.622 -0.680 0.869) 1.267 7.709 ( 0.191 0.528 -0.440) 0.713 8.532 ( -0.696 -1.811 -0.421) 1.985 8.652 ( 0.090 0.534 -0.439) 0.697 13.650 ( 2.360 0.349 -0.128) 2.389 14.057 ( 6.839 -3.881 -2.830) 8.357 14.349 ( -9.935 -1.097 2.299) 10.256 15.090 ( -11.776 -11.440 0.528) 16.426 17.785 ( 0.084 0.330 -0.321) 0.468 18.097 ( 0.168 -0.199 -0.626) 0.678 18.650 ( -0.135 0.571 2.133) 2.212 20.030 ( -0.733 0.544 1.124) 1.448 20.316 ( -0.749 0.352 -2.041) 2.203 20.647 ( -0.063 -1.023 -1.149) 1.540 21.890 ( 0.507 0.005 1.191) 1.295 22.915 ( 0.611 1.739 0.650) 1.954 45.700 ( 1.689 -1.087 0.155) 2.014 45.762 ( 0.765 2.220 0.505) 2.402 46.335 ( -0.290 1.465 -1.909) 2.424 46.556 ( 2.984 0.859 1.667) 3.525 98.761 ( 0.162 -0.257 -0.137) 0.333 98.871 ( 0.477 0.797 0.388) 1.006 99.279 ( 0.180 0.187 -0.315) 0.408 99.360 ( 0.097 -0.187 0.703) 0.734 99.617 ( -0.220 0.984 -1.286) 1.635 100.125 ( 7.569 -1.672 4.381) 8.904 100.276 ( 0.221 -0.705 -0.700) 1.018 100.935 ( -7.851 5.455 -3.565) 10.203 ======================= Grid point 24 (18/160) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 2.136 6.246 0.739) 6.642 1.370 ( 2.275 6.830 1.597) 7.374 1.539 ( 2.419 -0.315 0.286) 2.456 1.635 ( -3.108 -2.576 -1.083) 4.180 1.813 ( 11.786 10.076 5.793) 16.553 1.936 ( 0.350 -1.645 0.463) 1.745 2.043 ( 2.346 0.231 0.408) 2.393 2.071 ( 2.498 2.045 -0.104) 3.230 2.200 ( -10.668 7.650 -3.406) 13.562 2.255 ( 1.062 4.856 -0.927) 5.057 2.420 ( 1.060 2.215 -2.295) 3.361 2.487 ( -4.525 3.455 -0.543) 5.719 2.675 ( 4.349 3.578 0.640) 5.668 2.757 ( -2.521 0.507 -0.782) 2.687 2.775 ( -2.444 1.538 -0.874) 3.017 2.784 ( 0.180 -0.263 0.974) 1.025 3.031 ( -3.773 0.598 -1.162) 3.993 3.515 ( 4.347 -4.454 1.966) 6.527 4.902 ( 0.091 -0.299 -0.020) 0.313 4.954 ( -0.001 0.591 0.154) 0.611 5.516 ( -0.422 -1.501 0.003) 1.559 5.820 ( 3.132 0.333 0.325) 3.166 5.893 ( 0.779 0.798 -0.157) 1.127 6.095 ( -1.395 -4.913 -1.457) 5.311 6.205 ( -1.765 -1.234 0.461) 2.202 6.290 ( -0.506 -1.479 0.584) 1.669 7.595 ( -0.332 -0.308 0.312) 0.549 7.704 ( 0.125 0.141 -0.155) 0.244 8.556 ( -0.316 -2.037 -0.066) 2.063 8.639 ( 0.015 0.932 -0.137) 0.942 13.693 ( 2.649 -1.838 -0.210) 3.231 14.168 ( 5.067 -2.323 -1.088) 5.679 14.344 ( -4.065 -6.810 0.494) 7.947 15.160 ( -6.921 -9.571 0.752) 11.835 17.779 ( -0.018 0.220 -0.261) 0.342 18.098 ( 0.058 -0.004 -0.261) 0.267 18.641 ( -0.039 1.146 0.601) 1.295 20.019 ( -0.231 0.484 0.071) 0.541 20.285 ( -1.095 1.296 -0.876) 1.909 20.674 ( 0.419 -2.210 -0.163) 2.255 21.908 ( 0.676 -0.933 0.593) 1.296 22.889 ( 0.081 2.031 0.103) 2.036 45.717 ( 0.396 1.686 -0.148) 1.738 45.746 ( 1.084 -0.096 0.130) 1.096 46.287 ( -1.020 2.466 -0.937) 2.828 46.568 ( 1.283 1.241 1.333) 2.227 98.763 ( 0.041 0.019 -0.128) 0.135 98.860 ( 0.116 1.076 0.051) 1.083 99.277 ( 0.024 0.085 -0.130) 0.157 99.365 ( 0.109 -0.005 0.382) 0.397 99.604 ( -0.330 -0.258 -0.700) 0.816 100.253 ( 8.215 -0.829 4.648) 9.475 100.284 ( 0.871 -0.390 -0.061) 0.956 100.743 ( -9.391 4.985 -4.333) 11.481 ======================= Grid point 25 (19/160) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.000 12.918 -0.000) 12.918 1.189 ( 0.000 14.585 -0.000) 14.585 1.626 ( -0.000 -2.264 0.000) 2.264 1.639 ( -0.000 -1.383 0.000) 1.383 1.753 ( 0.000 7.042 -0.000) 7.042 1.812 ( 0.000 20.229 -0.000) 20.229 1.978 ( -0.000 -2.162 0.000) 2.162 2.044 ( 0.000 2.096 -0.000) 2.096 2.146 ( -0.000 -1.258 0.000) 1.258 2.194 ( 0.000 2.453 -0.000) 2.453 2.373 ( 0.000 2.645 -0.000) 2.645 2.431 ( -0.000 -0.061 0.000) 0.061 2.645 ( 0.000 2.345 -0.000) 2.345 2.696 ( 0.000 1.403 -0.000) 1.403 2.772 ( 0.000 0.115 -0.000) 0.115 2.808 ( -0.000 -0.674 0.000) 0.674 2.989 ( 0.000 1.028 -0.000) 1.028 3.636 ( -0.000 -6.372 0.000) 6.372 4.897 ( 0.000 0.825 -0.000) 0.825 4.954 ( -0.000 -0.405 0.000) 0.405 5.546 ( -0.000 -2.331 0.000) 2.331 5.819 ( 0.000 1.885 -0.000) 1.885 5.888 ( 0.000 0.254 -0.000) 0.254 6.150 ( -0.000 -3.199 0.000) 3.199 6.233 ( -0.000 -3.012 0.000) 3.012 6.319 ( -0.000 -2.301 0.000) 2.301 7.595 ( 0.000 0.022 -0.000) 0.022 7.704 ( -0.000 -0.118 0.000) 0.118 8.585 ( -0.000 -1.540 0.000) 1.540 8.623 ( 0.000 0.963 -0.000) 0.963 13.749 ( -0.000 -3.275 0.000) 3.275 14.222 ( -0.000 -1.268 0.000) 1.268 14.458 ( -0.000 -9.362 0.000) 9.362 15.253 ( -0.000 -6.231 0.000) 6.231 17.777 ( -0.000 -0.063 0.000) 0.063 18.096 ( 0.000 0.300 -0.000) 0.300 18.620 ( 0.000 1.532 -0.000) 1.532 20.010 ( 0.000 0.513 -0.000) 0.513 20.253 ( 0.000 1.432 -0.000) 1.432 20.715 ( -0.000 -2.394 0.000) 2.394 21.936 ( -0.000 -1.773 0.000) 1.773 22.858 ( 0.000 1.842 -0.000) 1.842 45.676 ( 0.000 2.951 -0.000) 2.951 45.767 ( -0.000 -1.173 0.000) 1.173 46.238 ( 0.000 2.463 -0.000) 2.463 46.559 ( 0.000 1.092 -0.000) 1.092 98.760 ( 0.000 0.382 -0.000) 0.382 98.844 ( 0.000 0.885 -0.000) 0.885 99.275 ( 0.000 0.047 -0.000) 0.047 99.365 ( 0.000 0.204 -0.000) 0.204 99.612 ( -0.000 -1.152 0.000) 1.152 100.279 ( 0.000 0.070 -0.000) 0.070 100.377 ( -0.000 -2.271 0.000) 2.271 100.559 ( 0.000 6.091 -0.000) 6.091 ======================= Grid point 30 (20/160) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 12.182 -0.000 0.897) 12.215 1.162 ( 14.178 -0.000 3.689) 14.650 1.604 ( -3.606 0.000 -2.316) 4.286 1.647 ( 2.341 -0.000 0.059) 2.341 1.884 ( 3.828 -0.000 -0.145) 3.831 2.009 ( 1.590 -0.000 -0.321) 1.622 2.013 ( 1.840 -0.000 -3.492) 3.946 2.131 ( -2.023 0.000 -1.171) 2.338 2.246 ( 7.719 -0.000 1.325) 7.832 2.372 ( 6.994 -0.000 5.392) 8.831 2.475 ( -5.285 0.000 -2.195) 5.722 2.578 ( 7.253 -0.000 -0.400) 7.264 2.727 ( 0.026 -0.000 -1.671) 1.671 2.789 ( 0.554 -0.000 -0.247) 0.606 2.862 ( 5.896 -0.000 0.205) 5.899 2.924 ( 0.632 -0.000 -0.554) 0.841 3.048 ( 3.594 -0.000 3.938) 5.331 3.520 ( 0.962 -0.000 0.403) 1.043 4.853 ( 0.189 -0.000 -0.132) 0.231 4.994 ( 0.020 -0.000 1.682) 1.682 5.537 ( -1.344 0.000 0.253) 1.368 5.802 ( -1.354 0.000 2.176) 2.563 5.805 ( 3.541 -0.000 -1.018) 3.684 6.133 ( -5.747 0.000 -3.168) 6.562 6.157 ( -4.855 0.000 1.711) 5.148 6.240 ( -1.382 0.000 0.133) 1.388 7.569 ( -0.786 0.000 0.880) 1.180 7.729 ( 0.135 -0.000 -0.084) 0.159 8.496 ( -0.913 0.000 -0.769) 1.193 8.657 ( 0.269 -0.000 -1.034) 1.068 13.727 ( -2.762 0.000 1.629) 3.207 13.904 ( 1.438 -0.000 -0.583) 1.552 14.641 ( -13.516 0.000 1.606) 13.611 14.729 ( -17.398 0.000 -3.523) 17.751 17.793 ( 0.532 -0.000 -0.297) 0.609 18.091 ( 0.355 -0.000 -1.239) 1.289 18.643 ( -0.366 0.000 5.053) 5.066 20.049 ( -1.886 0.000 3.715) 4.166 20.313 ( 2.010 -0.000 -3.620) 4.141 20.671 ( -2.441 0.000 -3.373) 4.164 21.900 ( -0.813 0.000 2.173) 2.320 22.941 ( 1.906 -0.000 1.599) 2.488 45.649 ( 2.232 -0.000 0.224) 2.244 45.802 ( 0.943 -0.000 1.803) 2.035 46.328 ( 4.374 -0.000 -1.737) 4.707 46.523 ( 6.003 -0.000 0.672) 6.040 98.747 ( 0.594 -0.000 -0.579) 0.830 98.868 ( 1.261 -0.000 1.575) 2.018 99.299 ( -0.233 0.000 -0.310) 0.388 99.339 ( 0.569 -0.000 0.953) 1.110 99.736 ( 0.497 -0.000 -0.380) 0.625 99.901 ( 5.458 -0.000 1.409) 5.637 100.245 ( 0.709 -0.000 -1.621) 1.769 101.233 ( -7.643 0.000 -2.924) 8.183 ======================= Grid point 31 (21/160) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 9.496 -3.965 0.981) 10.337 1.321 ( 10.376 -0.813 1.226) 10.479 1.568 ( -3.110 -1.532 -2.033) 4.019 1.695 ( 2.254 -3.169 2.588) 4.671 1.874 ( 1.649 4.815 -0.337) 5.101 1.990 ( 1.326 1.367 -3.477) 3.965 2.031 ( -1.988 -0.053 -0.495) 2.049 2.087 ( 1.480 1.455 0.468) 2.127 2.327 ( 2.758 -3.570 -0.621) 4.554 2.414 ( -4.975 -0.644 -2.129) 5.450 2.482 ( 7.459 1.881 5.096) 9.227 2.640 ( 6.138 1.248 -0.586) 6.291 2.703 ( -0.212 1.651 -1.649) 2.343 2.789 ( -0.036 0.124 -1.289) 1.295 2.839 ( 4.367 5.948 1.141) 7.466 2.963 ( -0.043 -1.204 1.698) 2.082 3.096 ( 1.485 0.616 0.803) 1.797 3.517 ( 1.588 2.338 0.760) 2.927 4.859 ( 0.215 -0.576 -0.154) 0.634 4.997 ( 0.085 0.602 1.223) 1.365 5.521 ( -1.012 0.487 0.079) 1.126 5.780 ( 1.407 1.390 1.097) 2.261 5.869 ( 3.065 -1.852 -0.534) 3.621 6.049 ( -5.244 1.143 -2.085) 5.758 6.134 ( -5.076 -2.711 1.108) 5.860 6.237 ( -0.841 -0.929 0.170) 1.265 7.569 ( -0.571 -0.404 0.736) 1.015 7.726 ( 0.027 0.375 -0.133) 0.399 8.489 ( -0.773 -0.715 -0.605) 1.214 8.656 ( 0.101 -0.117 -0.751) 0.767 13.700 ( -0.396 1.809 1.513) 2.391 13.952 ( 4.815 -1.941 -0.085) 5.192 14.410 ( -13.267 4.973 -0.466) 14.176 14.693 ( -13.481 -11.917 -1.593) 18.063 17.796 ( 0.399 0.224 -0.101) 0.468 18.090 ( 0.117 -0.166 -0.866) 0.889 18.659 ( -0.260 0.100 3.588) 3.599 20.043 ( -1.498 0.203 2.547) 2.962 20.315 ( 0.889 -0.158 -2.833) 2.973 20.634 ( -1.583 -0.022 -2.297) 2.789 21.901 ( -0.133 0.384 1.652) 1.702 22.959 ( 1.292 0.803 1.119) 1.888 45.675 ( 1.742 -0.421 0.264) 1.811 45.813 ( 0.885 0.852 1.311) 1.797 46.359 ( 2.429 0.161 -1.543) 2.882 46.577 ( 4.216 0.454 0.644) 4.289 98.752 ( 0.390 -0.186 -0.279) 0.514 98.887 ( 1.099 0.180 1.180) 1.623 99.290 ( -0.270 0.387 -0.308) 0.564 99.350 ( 0.245 -0.295 0.709) 0.806 99.701 ( 0.352 3.586 -0.712) 3.673 100.007 ( 4.882 -4.443 1.925) 6.876 100.252 ( 0.719 -0.545 -1.060) 1.391 101.112 ( -6.384 3.908 -2.626) 7.932 ======================= Grid point 32 (22/160) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 5.246 -5.843 1.118) 7.932 1.399 ( 4.949 1.111 0.134) 5.074 1.555 ( -3.366 -2.057 -1.622) 4.265 1.770 ( 0.016 7.074 0.980) 7.142 1.847 ( 5.244 -6.339 2.776) 8.683 1.951 ( 0.328 2.617 -3.019) 4.008 2.011 ( 0.043 -0.888 0.251) 0.924 2.124 ( 3.131 -0.237 2.119) 3.788 2.345 ( -6.439 1.932 -2.652) 7.226 2.376 ( 0.850 1.079 -0.184) 1.386 2.511 ( 4.398 2.674 2.326) 5.648 2.646 ( -0.460 3.349 -2.664) 4.305 2.669 ( 3.563 1.902 -0.226) 4.045 2.766 ( -1.585 0.762 -1.208) 2.134 2.808 ( 2.206 2.756 0.415) 3.554 2.969 ( 0.300 3.461 4.975) 6.068 3.051 ( -2.114 2.633 -3.125) 4.601 3.497 ( 1.812 2.447 0.928) 3.183 4.873 ( 0.133 -0.976 -0.095) 0.989 4.988 ( 0.036 1.087 0.594) 1.240 5.503 ( -0.641 0.534 -0.095) 0.839 5.798 ( 1.784 -0.654 0.741) 2.040 5.919 ( 3.471 -0.234 -0.954) 3.607 5.988 ( -3.505 -0.736 -0.677) 3.645 6.138 ( -3.827 -3.226 0.539) 5.034 6.250 ( -0.337 -1.249 0.225) 1.314 7.576 ( -0.321 -0.680 0.470) 0.887 7.717 ( 0.028 0.580 -0.165) 0.603 8.498 ( -0.420 -1.409 -0.314) 1.503 8.654 ( -0.016 0.049 -0.354) 0.357 13.686 ( 1.484 1.192 0.481) 1.964 14.057 ( 6.529 -3.491 -1.258) 7.510 14.244 ( -9.298 0.465 0.804) 9.344 14.774 ( -8.517 -13.526 -0.242) 15.986 17.792 ( 0.143 0.483 -0.091) 0.511 18.092 ( 0.048 -0.305 -0.430) 0.529 18.665 ( -0.109 0.410 1.636) 1.690 20.035 ( -0.676 0.387 1.047) 1.305 20.309 ( -0.038 0.267 -1.456) 1.481 20.623 ( -0.470 -0.912 -0.968) 1.411 21.901 ( 0.199 0.301 0.825) 0.901 22.952 ( 0.529 1.665 0.503) 1.818 45.700 ( 0.992 -0.813 0.121) 1.288 45.805 ( 0.536 1.757 0.563) 1.921 46.355 ( 0.532 1.533 -0.968) 1.890 46.603 ( 1.979 0.902 0.589) 2.254 98.758 ( 0.155 -0.244 -0.105) 0.308 98.891 ( 0.472 0.776 0.473) 1.024 99.283 ( -0.029 0.244 -0.186) 0.308 99.359 ( 0.053 -0.296 0.398) 0.499 99.645 ( 0.137 2.990 -0.574) 3.048 100.145 ( 3.934 -5.354 2.155) 6.985 100.264 ( 0.272 -0.686 -0.633) 0.972 100.956 ( -4.483 6.819 -1.981) 8.398 ======================= Grid point 33 (23/160) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -0.000 -1.798 0.000) 1.798 1.414 ( -0.000 -0.473 0.000) 0.473 1.564 ( -0.000 -2.532 0.000) 2.532 1.637 ( 0.000 8.781 -0.000) 8.781 1.920 ( 0.000 0.091 -0.000) 0.091 2.010 ( -0.000 -6.671 0.000) 6.671 2.037 ( -0.000 -0.713 0.000) 0.713 2.144 ( 0.000 12.194 -0.000) 12.194 2.174 ( 0.000 0.118 -0.000) 0.118 2.342 ( 0.000 3.937 -0.000) 3.937 2.490 ( 0.000 4.879 -0.000) 4.879 2.547 ( 0.000 6.334 -0.000) 6.334 2.691 ( -0.000 -2.244 0.000) 2.244 2.745 ( 0.000 0.146 -0.000) 0.146 2.790 ( 0.000 1.256 -0.000) 1.256 2.870 ( 0.000 8.779 -0.000) 8.779 3.010 ( 0.000 0.174 -0.000) 0.174 3.497 ( -0.000 -0.899 0.000) 0.899 4.890 ( -0.000 -1.003 0.000) 1.003 4.971 ( 0.000 1.231 -0.000) 1.231 5.497 ( -0.000 -0.410 0.000) 0.410 5.827 ( -0.000 -1.087 0.000) 1.087 5.924 ( 0.000 1.620 -0.000) 1.620 6.010 ( -0.000 -4.108 0.000) 4.108 6.163 ( -0.000 -2.425 0.000) 2.425 6.269 ( -0.000 -1.202 0.000) 1.202 7.586 ( -0.000 -0.626 0.000) 0.626 7.709 ( 0.000 0.457 -0.000) 0.457 8.522 ( -0.000 -1.937 0.000) 1.937 8.650 ( 0.000 0.436 -0.000) 0.436 13.690 ( -0.000 -0.286 0.000) 0.286 14.152 ( -0.000 -2.986 0.000) 2.986 14.224 ( -0.000 -4.521 0.000) 4.521 14.939 ( -0.000 -12.775 0.000) 12.775 17.785 ( 0.000 0.484 -0.000) 0.484 18.096 ( -0.000 -0.252 0.000) 0.252 18.658 ( 0.000 0.823 -0.000) 0.823 20.026 ( 0.000 0.529 -0.000) 0.529 20.295 ( 0.000 0.902 -0.000) 0.902 20.642 ( -0.000 -1.874 0.000) 1.874 21.904 ( -0.000 -0.238 0.000) 0.238 22.925 ( 0.000 2.154 -0.000) 2.154 45.720 ( -0.000 -0.862 0.000) 0.862 45.776 ( 0.000 2.246 -0.000) 2.246 46.321 ( 0.000 2.468 -0.000) 2.468 46.597 ( 0.000 1.193 -0.000) 1.193 98.762 ( -0.000 -0.172 0.000) 0.172 98.879 ( 0.000 1.137 -0.000) 1.137 99.279 ( 0.000 0.174 -0.000) 0.174 99.364 ( -0.000 -0.221 0.000) 0.221 99.609 ( 0.000 1.361 -0.000) 1.361 100.262 ( -0.000 -5.060 0.000) 5.060 100.273 ( -0.000 -0.512 0.000) 0.512 100.799 ( 0.000 8.363 -0.000) 8.363 ======================= Grid point 40 (24/160) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 6.199 -0.000 0.676) 6.236 1.409 ( 6.145 -0.000 -0.230) 6.150 1.515 ( -2.619 0.000 -1.161) 2.865 1.685 ( 0.809 -0.000 2.141) 2.289 1.937 ( 1.290 -0.000 0.115) 1.295 1.989 ( -0.530 0.000 -1.482) 1.574 2.018 ( -0.683 0.000 -0.688) 0.970 2.115 ( 0.867 -0.000 0.635) 1.075 2.295 ( 0.703 -0.000 -0.858) 1.109 2.349 ( -3.346 0.000 -2.230) 4.021 2.594 ( 4.803 -0.000 3.108) 5.721 2.709 ( -0.205 0.000 -0.938) 0.960 2.712 ( 4.273 -0.000 1.265) 4.456 2.780 ( -0.642 0.000 -1.867) 1.974 2.919 ( -0.567 0.000 0.201) 0.602 2.961 ( 2.575 -0.000 0.094) 2.576 3.135 ( 1.616 -0.000 1.637) 2.301 3.555 ( 1.236 -0.000 0.511) 1.337 4.856 ( 0.133 -0.000 -0.097) 0.164 5.008 ( 0.082 -0.000 0.672) 0.677 5.519 ( -0.438 0.000 0.138) 0.459 5.795 ( -0.601 0.000 0.896) 1.079 5.904 ( 6.352 -0.000 -1.127) 6.451 6.014 ( -2.673 0.000 -1.490) 3.060 6.044 ( -6.791 0.000 1.440) 6.942 6.224 ( -0.350 0.000 0.046) 0.353 7.563 ( -0.291 0.000 0.365) 0.467 7.729 ( -0.028 0.000 -0.031) 0.041 8.475 ( -0.457 0.000 -0.326) 0.561 8.652 ( 0.044 -0.000 -0.429) 0.432 13.721 ( 0.133 -0.000 1.563) 1.569 13.996 ( 5.532 -0.000 0.918) 5.608 14.372 ( -10.204 0.000 -0.448) 10.213 14.410 ( -8.042 0.000 -2.439) 8.404 17.802 ( 0.276 -0.000 0.020) 0.277 18.086 ( -0.005 0.000 -0.484) 0.484 18.671 ( -0.154 0.000 2.030) 2.036 20.040 ( -0.940 0.000 1.452) 1.730 20.312 ( 0.484 -0.000 -1.637) 1.707 20.611 ( -0.978 0.000 -1.290) 1.619 21.910 ( 0.004 -0.000 0.963) 0.963 22.981 ( 0.737 -0.000 0.614) 0.959 45.686 ( 0.934 -0.000 0.162) 0.948 45.834 ( 0.562 -0.000 0.807) 0.984 46.379 ( 1.495 -0.000 -0.791) 1.691 46.619 ( 2.291 -0.000 0.240) 2.304 98.753 ( 0.225 -0.000 -0.136) 0.263 98.904 ( 0.787 -0.000 0.772) 1.103 99.288 ( -0.403 0.000 -0.203) 0.451 99.353 ( 0.170 -0.000 0.368) 0.405 99.736 ( 0.008 -0.000 -0.302) 0.302 100.011 ( 2.918 -0.000 0.853) 3.040 100.251 ( 0.522 -0.000 -0.531) 0.745 101.081 ( -3.702 0.000 -1.503) 3.995 ======================= Grid point 41 (25/160) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -0.000 -3.435 0.000) 3.435 1.439 ( 0.000 0.253 -0.000) 0.253 1.505 ( -0.000 -1.006 0.000) 1.006 1.754 ( -0.000 -6.697 0.000) 6.697 1.885 ( 0.000 6.223 -0.000) 6.223 1.990 ( -0.000 -0.991 0.000) 0.991 1.990 ( 0.000 2.468 -0.000) 2.468 2.134 ( -0.000 -1.183 0.000) 1.183 2.322 ( 0.000 0.159 -0.000) 0.159 2.345 ( -0.000 -4.215 0.000) 4.215 2.589 ( 0.000 3.939 -0.000) 3.939 2.688 ( 0.000 2.231 -0.000) 2.231 2.747 ( 0.000 0.113 -0.000) 0.113 2.751 ( 0.000 1.761 -0.000) 1.761 2.874 ( 0.000 4.127 -0.000) 4.127 2.992 ( -0.000 -1.311 0.000) 1.311 3.111 ( 0.000 4.533 -0.000) 4.533 3.546 ( 0.000 2.020 -0.000) 2.020 4.861 ( -0.000 -0.579 0.000) 0.579 5.004 ( 0.000 0.649 -0.000) 0.649 5.511 ( 0.000 0.722 -0.000) 0.722 5.798 ( -0.000 -0.505 0.000) 0.505 5.956 ( 0.000 0.562 0.000) 0.562 5.956 ( 0.000 0.892 0.000) 0.892 6.053 ( -0.000 -4.100 0.000) 4.100 6.230 ( -0.000 -0.971 0.000) 0.971 7.566 ( -0.000 -0.422 0.000) 0.422 7.725 ( 0.000 0.385 -0.000) 0.385 8.477 ( -0.000 -0.737 0.000) 0.737 8.653 ( -0.000 -0.092 0.000) 0.092 13.716 ( 0.000 1.199 -0.000) 1.199 14.056 ( -0.000 -2.340 0.000) 2.340 14.219 ( 0.000 4.575 -0.000) 4.575 14.514 ( -0.000 -12.467 0.000) 12.467 17.800 ( 0.000 0.346 -0.000) 0.346 18.086 ( -0.000 -0.218 0.000) 0.218 18.673 ( 0.000 0.184 -0.000) 0.184 20.038 ( 0.000 0.134 -0.000) 0.134 20.309 ( 0.000 0.141 -0.000) 0.141 20.606 ( -0.000 -0.461 0.000) 0.461 21.910 ( 0.000 0.300 -0.000) 0.300 22.978 ( 0.000 0.975 -0.000) 0.975 45.696 ( -0.000 -0.456 0.000) 0.456 45.831 ( 0.000 0.957 -0.000) 0.957 46.377 ( 0.000 0.926 -0.000) 0.926 46.627 ( 0.000 0.552 -0.000) 0.552 98.755 ( -0.000 -0.151 0.000) 0.151 98.906 ( 0.000 0.487 -0.000) 0.487 99.284 ( 0.000 0.095 -0.000) 0.095 99.356 ( -0.000 -0.193 0.000) 0.193 99.701 ( 0.000 3.550 -0.000) 3.550 100.078 ( -0.000 -5.278 0.000) 5.278 100.256 ( -0.000 -0.368 0.000) 0.368 101.021 ( 0.000 4.329 -0.000) 4.329 ======================= Grid point 83 (26/160) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 15.438 -0.000 18.777) 24.309 0.372 ( 2.461 -0.000 19.712) 19.865 0.668 ( -10.221 0.000 34.043) 35.544 1.423 ( -2.117 0.000 -0.563) 2.190 1.628 ( 0.025 -0.000 1.142) 1.143 1.891 ( 2.076 -0.000 0.097) 2.078 1.938 ( -0.410 0.000 -5.202) 5.218 2.064 ( -0.448 0.000 -2.836) 2.871 2.149 ( -5.672 0.000 -0.971) 5.755 2.442 ( -0.245 0.000 -4.598) 4.605 2.470 ( -4.057 0.000 -5.432) 6.780 2.601 ( 2.220 -0.000 -4.900) 5.379 2.659 ( -3.378 0.000 0.436) 3.406 2.715 ( 1.635 -0.000 4.610) 4.891 2.743 ( -1.193 0.000 1.934) 2.272 2.787 ( 1.155 -0.000 -0.829) 1.421 2.999 ( 16.000 -0.000 3.238) 16.325 3.000 ( -1.294 0.000 6.237) 6.370 4.967 ( 1.334 -0.000 -0.602) 1.463 5.321 ( -13.880 0.000 -4.938) 14.732 5.625 ( -2.032 0.000 1.736) 2.673 5.793 ( -0.200 0.000 -0.771) 0.797 5.848 ( -0.367 0.000 3.175) 3.196 6.272 ( 1.794 -0.000 -1.803) 2.543 6.286 ( -0.005 0.000 0.004) 0.006 6.337 ( 3.519 -0.000 -0.233) 3.526 7.606 ( 0.255 -0.000 0.968) 1.001 7.702 ( -0.006 0.000 -0.362) 0.362 8.540 ( -0.345 0.000 -0.248) 0.425 8.636 ( -0.004 0.000 -1.093) 1.093 13.952 ( -0.473 0.000 0.442) 0.647 14.187 ( -3.602 0.000 -3.073) 4.734 15.024 ( 3.372 -0.000 3.993) 5.227 15.316 ( 12.581 -0.000 -0.232) 12.583 17.856 ( -3.716 0.000 6.712) 7.672 18.554 ( 3.108 -0.000 0.336) 3.126 19.544 ( -69.225 0.000 1.517) 69.242 19.909 ( 4.950 -0.000 -5.146) 7.140 20.235 ( -0.880 0.000 0.184) 0.899 20.748 ( 4.093 -0.000 -5.718) 7.032 22.043 ( -1.876 0.000 5.607) 5.913 22.767 ( 2.103 -0.000 -3.317) 3.928 45.761 ( -13.446 0.000 0.461) 13.454 45.817 ( 1.291 -0.000 0.062) 1.293 46.022 ( -1.275 0.000 0.116) 1.280 46.147 ( 1.258 -0.000 -1.078) 1.657 98.837 ( 0.105 -0.000 1.324) 1.329 99.027 ( -29.506 0.000 -0.750) 29.516 99.269 ( -0.269 0.000 0.172) 0.319 99.275 ( -0.257 0.000 0.047) 0.261 99.654 ( 0.478 -0.000 -0.470) 0.671 99.674 ( 0.062 -0.000 -0.684) 0.687 100.325 ( -2.270 0.000 1.852) 2.929 100.658 ( 59.353 -0.000 -2.053) 59.388 ======================= Grid point 84 (27/160) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 4.706 -4.617 15.669) 16.999 0.647 ( 3.514 -8.564 19.169) 21.287 0.988 ( 11.929 -16.655 21.330) 29.575 1.425 ( 0.984 -1.856 -2.169) 3.020 1.653 ( 1.347 -1.749 1.614) 2.735 1.878 ( -2.093 1.932 -4.982) 5.739 1.941 ( 1.979 -0.246 -1.258) 2.358 2.041 ( -0.344 0.016 -1.187) 1.236 2.077 ( -4.588 -0.389 -0.050) 4.605 2.325 ( 0.910 11.725 5.309) 12.903 2.418 ( -0.391 0.012 -3.812) 3.832 2.555 ( -2.603 3.353 0.848) 4.328 2.588 ( 2.402 1.783 -2.480) 3.886 2.663 ( 1.272 0.133 0.504) 1.374 2.756 ( 0.364 0.841 0.813) 1.225 2.838 ( 6.552 -0.817 0.425) 6.617 3.016 ( 2.912 -0.591 4.823) 5.665 3.408 ( 3.056 -15.962 -13.632) 21.212 4.975 ( 0.925 0.354 -0.202) 1.011 5.061 ( -11.702 6.761 7.015) 15.227 5.616 ( -1.224 0.051 1.528) 1.959 5.779 ( -1.424 0.832 -0.869) 1.864 5.863 ( -0.098 -0.944 2.573) 2.743 6.269 ( -1.111 1.198 0.170) 1.643 6.290 ( 0.721 -0.546 -2.267) 2.441 6.368 ( 1.439 -0.006 -3.233) 3.539 7.612 ( -0.181 -0.120 1.438) 1.454 7.702 ( 0.066 -0.037 -0.485) 0.491 8.542 ( -0.416 -0.851 -0.396) 1.027 8.632 ( 0.228 0.117 -1.199) 1.226 13.922 ( -2.109 2.527 1.006) 3.442 14.121 ( -5.449 -0.094 -4.279) 6.929 15.014 ( 0.170 6.043 5.639) 8.267 15.384 ( 4.629 1.680 -3.998) 6.343 17.847 ( -3.491 -0.008 6.242) 7.152 18.591 ( 1.894 0.366 2.155) 2.892 18.647 ( -38.601 18.627 33.114) 54.162 19.954 ( 5.134 -0.792 -3.324) 6.167 20.227 ( -0.070 0.202 -0.442) 0.491 20.736 ( 2.034 1.734 -6.441) 6.973 22.049 ( -3.959 0.034 5.018) 6.392 22.780 ( 3.376 -0.123 -3.433) 4.816 45.627 ( -3.912 0.966 4.559) 6.084 45.817 ( -0.583 0.547 0.601) 1.000 46.175 ( 0.913 -5.294 -3.320) 6.315 46.183 ( 0.277 -8.243 -4.448) 9.370 98.801 ( -6.384 2.091 5.444) 8.647 98.843 ( -0.344 0.054 1.654) 1.690 99.271 ( -0.394 -0.130 -0.081) 0.422 99.314 ( -0.361 -2.267 -0.500) 2.349 99.671 ( 0.352 0.427 -0.656) 0.858 99.758 ( -3.262 -9.415 -4.728) 11.029 100.301 ( -2.337 0.346 1.057) 2.588 101.023 ( 31.617 10.051 -11.195) 35.014 ======================= Grid point 85 (28/160) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 4.447 -8.322 9.022) 13.055 0.910 ( 1.476 -10.554 16.007) 19.230 1.362 ( 5.196 -4.204 2.138) 7.017 1.570 ( 9.369 -11.886 5.831) 16.219 1.712 ( 1.259 -1.619 1.774) 2.712 1.795 ( -3.536 1.135 -3.962) 5.430 1.922 ( 2.948 1.880 -1.458) 3.789 2.041 ( -2.197 -0.040 -1.155) 2.482 2.089 ( 3.480 -2.029 1.947) 4.474 2.201 ( 0.737 6.986 3.971) 8.069 2.400 ( -2.231 0.467 -3.523) 4.196 2.525 ( 0.085 -1.760 2.094) 2.737 2.596 ( 2.724 0.031 -2.497) 3.696 2.674 ( 0.797 0.735 0.392) 1.153 2.773 ( 2.396 -1.016 -0.523) 2.655 2.900 ( 6.138 0.754 0.714) 6.225 3.083 ( 2.718 -0.830 3.373) 4.411 3.483 ( -3.903 -2.975 -9.682) 10.854 4.939 ( -4.266 2.014 3.873) 6.104 4.977 ( 0.224 0.723 0.618) 0.977 5.600 ( -1.767 0.888 1.356) 2.398 5.743 ( -2.115 0.548 -0.228) 2.197 5.888 ( -0.250 -0.834 1.869) 2.062 6.231 ( -1.878 1.378 -1.199) 2.620 6.292 ( 1.307 0.213 -1.850) 2.275 6.340 ( -0.788 1.678 -2.096) 2.799 7.620 ( -0.469 -0.298 2.109) 2.181 7.698 ( 0.186 0.323 -0.860) 0.937 8.552 ( -0.596 -1.312 -0.574) 1.551 8.628 ( 0.622 0.262 -0.823) 1.065 13.839 ( -4.418 4.125 1.683) 6.275 14.044 ( -5.503 -0.399 -4.079) 6.862 14.901 ( -3.913 8.652 6.228) 11.356 15.371 ( 0.728 -0.044 -4.207) 4.270 17.841 ( -3.072 -0.157 5.887) 6.642 18.336 ( -15.454 5.178 22.146) 27.497 18.624 ( 1.978 0.295 1.607) 2.566 19.998 ( 3.978 0.210 -2.729) 4.829 20.235 ( 1.669 -0.960 -1.145) 2.240 20.692 ( 0.434 1.627 -6.238) 6.461 22.008 ( -4.417 1.897 4.858) 6.835 22.805 ( 3.740 -0.192 -3.707) 5.269 45.630 ( -1.250 -1.541 2.768) 3.406 45.796 ( -1.102 1.184 0.623) 1.733 46.241 ( 4.183 -1.936 -0.788) 4.676 46.290 ( 0.541 -6.805 -4.887) 8.396 98.773 ( -1.993 -0.349 3.007) 3.625 98.848 ( 0.091 0.153 1.486) 1.497 99.270 ( -0.286 -0.263 -0.128) 0.409 99.337 ( 0.252 -0.884 0.143) 0.930 99.662 ( -0.462 0.204 -0.761) 0.913 99.830 ( -0.828 -5.238 -3.443) 6.323 100.283 ( -1.752 -0.438 0.801) 1.976 101.060 ( 14.540 8.713 -6.734) 18.240 ======================= Grid point 86 (29/160) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 4.521 -6.417 4.193) 8.899 1.152 ( 0.762 -9.763 12.957) 16.242 1.423 ( 2.590 -0.920 -0.216) 2.757 1.676 ( -1.559 4.659 0.821) 4.981 1.741 ( -3.278 -0.700 0.084) 3.353 1.765 ( 3.084 -1.378 -4.105) 5.316 1.974 ( 0.151 0.405 4.143) 4.166 2.061 ( 1.231 -1.683 0.155) 2.091 2.161 ( 3.221 -1.620 0.179) 3.610 2.232 ( 7.349 -3.880 4.438) 9.421 2.355 ( -2.546 -3.215 -2.329) 4.716 2.574 ( 1.526 -0.490 0.505) 1.681 2.622 ( 3.278 -0.018 0.355) 3.298 2.670 ( 0.306 -0.248 -0.742) 0.840 2.810 ( 0.874 -1.566 0.038) 1.794 2.980 ( 6.884 -0.933 2.034) 7.238 3.116 ( 1.251 0.422 0.483) 1.406 3.374 ( -6.457 4.110 -6.593) 10.102 4.908 ( -1.633 0.038 1.671) 2.337 4.969 ( 0.131 0.893 0.508) 1.035 5.571 ( -1.435 0.984 1.348) 2.201 5.718 ( -2.483 -0.244 0.468) 2.539 5.897 ( -0.431 0.043 1.208) 1.283 6.177 ( -1.796 1.243 -3.061) 3.761 6.273 ( -0.448 1.371 -4.009) 4.261 6.319 ( 1.035 0.677 1.991) 2.344 7.628 ( -0.552 0.046 2.364) 2.428 7.691 ( 0.207 0.127 -1.074) 1.101 8.564 ( -0.561 -1.299 -0.746) 1.599 8.630 ( 0.718 0.196 -0.192) 0.769 13.724 ( -5.293 4.027 1.532) 6.825 13.993 ( -3.668 -1.610 -2.980) 4.993 14.731 ( -5.784 8.628 5.012) 11.533 15.380 ( 1.783 -1.495 -3.386) 4.108 17.839 ( -2.795 -0.109 5.465) 6.139 18.256 ( -8.724 1.137 15.880) 18.155 18.637 ( 1.376 1.009 0.696) 1.843 20.000 ( 2.590 1.633 -4.114) 5.128 20.281 ( 2.434 -2.231 -1.185) 3.508 20.644 ( 0.042 0.963 -5.452) 5.536 21.953 ( -3.541 1.988 4.563) 6.108 22.826 ( 3.371 0.235 -4.260) 5.437 45.658 ( -0.607 -1.848 1.567) 2.498 45.762 ( -1.085 1.865 0.377) 2.191 46.305 ( 2.016 -2.331 -1.892) 3.616 46.378 ( 3.350 -3.493 -1.172) 4.979 98.777 ( -1.132 -0.485 1.941) 2.298 98.852 ( 0.248 0.234 1.029) 1.084 99.272 ( -0.239 -0.463 -0.092) 0.529 99.350 ( 0.411 -0.218 0.484) 0.671 99.651 ( -1.290 -0.561 -0.953) 1.699 99.881 ( 1.773 -1.960 -1.471) 3.025 100.286 ( -0.991 -1.125 0.885) 1.741 101.027 ( 6.700 5.472 -5.872) 10.455 ======================= Grid point 87 (30/160) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 3.541 -0.574 2.138) 4.176 1.336 ( 0.588 -4.574 8.663) 9.814 1.466 ( -0.400 -2.307 3.076) 3.865 1.571 ( -1.043 5.251 1.838) 5.661 1.743 ( -1.742 -1.917 2.446) 3.562 1.782 ( 1.852 -0.184 -2.119) 2.821 1.966 ( -2.340 0.435 5.402) 5.903 2.072 ( 0.442 0.314 -0.668) 0.861 2.216 ( 1.332 -3.226 -2.915) 4.547 2.279 ( 0.331 1.112 0.635) 1.322 2.476 ( 3.013 -4.590 -3.770) 6.660 2.567 ( -0.029 2.922 -0.151) 2.926 2.648 ( 2.311 0.402 0.038) 2.346 2.693 ( 0.684 -2.153 -1.633) 2.788 2.836 ( -3.077 0.002 1.939) 3.637 3.066 ( 3.348 -0.514 2.958) 4.497 3.108 ( -2.799 0.637 -0.426) 2.902 3.222 ( 1.073 2.310 -4.210) 4.921 4.907 ( -0.527 -0.444 0.713) 0.992 4.957 ( -0.054 0.908 0.467) 1.023 5.560 ( -0.676 -0.109 1.899) 2.018 5.698 ( -1.626 0.249 0.434) 1.701 5.892 ( -0.291 0.447 0.604) 0.806 6.145 ( -0.244 -0.967 -3.688) 3.820 6.231 ( -0.007 1.335 -2.826) 3.126 6.329 ( 0.837 0.603 1.581) 1.888 7.624 ( -0.297 0.982 1.336) 1.684 7.693 ( -0.046 -0.707 -0.133) 0.721 8.576 ( -0.127 -1.029 -0.476) 1.141 8.633 ( 0.183 0.075 0.133) 0.239 13.638 ( -2.782 1.522 1.162) 3.378 13.991 ( -1.112 -2.720 -1.951) 3.527 14.579 ( -3.590 5.745 3.310) 7.540 15.413 ( 2.119 -0.964 -1.897) 3.003 17.835 ( -2.650 -0.091 5.197) 5.834 18.238 ( -6.768 -0.270 13.896) 15.458 18.628 ( 1.018 1.744 -0.668) 2.127 19.975 ( 2.600 1.832 -6.141) 6.916 20.326 ( 0.565 -1.646 -1.263) 2.150 20.622 ( 0.982 -0.597 -4.095) 4.254 21.920 ( -1.964 0.967 4.661) 5.149 22.829 ( 2.672 0.733 -5.095) 5.800 45.687 ( -0.097 -1.656 0.562) 1.751 45.719 ( -0.801 2.307 0.048) 2.443 46.335 ( -0.545 -1.578 -2.322) 2.860 46.456 ( 3.486 -1.268 1.377) 3.956 98.777 ( -0.875 0.024 1.271) 1.543 98.854 ( 0.043 0.180 0.573) 0.603 99.278 ( -0.224 -0.505 0.050) 0.555 99.357 ( 0.379 0.223 0.630) 0.769 99.645 ( -1.750 -1.293 -1.043) 2.413 99.918 ( 3.913 0.710 0.294) 3.988 100.299 ( -0.738 -0.882 1.107) 1.597 100.985 ( 1.738 1.731 -6.392) 6.846 ======================= Grid point 88 (31/160) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 1.177 7.494 0.426) 7.598 1.322 ( -4.866 7.628 8.053) 12.113 1.486 ( 0.241 0.406 3.579) 3.610 1.599 ( -0.603 -5.422 4.704) 7.203 1.768 ( -0.787 -1.021 2.780) 3.064 1.815 ( 2.097 -2.034 0.915) 3.062 1.986 ( -2.081 -3.175 4.788) 6.110 2.060 ( -0.344 0.899 -1.359) 1.665 2.208 ( -3.149 3.876 -1.285) 5.156 2.290 ( 0.069 -0.986 -1.162) 1.525 2.432 ( -3.189 5.020 -5.749) 8.272 2.503 ( -0.145 3.262 -1.337) 3.528 2.637 ( -2.434 0.067 -0.819) 2.569 2.730 ( 1.444 -1.418 -1.765) 2.685 2.772 ( -2.152 1.378 1.582) 3.005 2.988 ( -7.487 2.222 -1.327) 7.922 3.096 ( -0.292 1.245 -1.604) 2.052 3.356 ( 9.548 -6.462 1.773) 11.665 4.911 ( -0.260 -0.088 1.032) 1.068 4.946 ( -0.023 0.461 0.131) 0.480 5.572 ( -0.666 -0.855 2.523) 2.746 5.686 ( 1.095 0.676 -0.109) 1.291 5.886 ( -0.010 0.428 0.338) 0.545 6.167 ( 1.384 -2.701 -4.209) 5.189 6.210 ( 0.873 0.126 -1.880) 2.077 6.332 ( 0.480 0.446 1.233) 1.397 7.608 ( 0.008 1.176 0.531) 1.290 7.707 ( -0.285 -0.893 0.618) 1.122 8.586 ( 0.332 -0.083 0.090) 0.353 8.634 ( -0.549 -0.460 -0.007) 0.716 13.639 ( 1.244 -2.011 1.199) 2.651 14.034 ( 2.012 -2.775 -0.746) 3.508 14.521 ( 0.235 0.534 1.460) 1.572 15.424 ( 1.173 1.081 -1.353) 2.091 17.835 ( -2.573 -0.332 5.483) 6.066 18.246 ( -6.380 -1.427 14.634) 16.028 18.600 ( 0.984 2.275 -1.974) 3.168 19.947 ( 3.198 1.437 -7.534) 8.310 20.327 ( -2.003 -0.358 -1.340) 2.437 20.649 ( 2.240 -2.297 -2.926) 4.342 21.925 ( -0.447 -0.303 5.063) 5.091 22.814 ( 2.003 0.995 -5.813) 6.229 45.673 ( -0.600 2.358 0.043) 2.433 45.717 ( 0.684 -1.469 -0.035) 1.621 46.322 ( -2.723 -0.384 -2.036) 3.422 46.498 ( 2.223 0.927 2.192) 3.257 98.770 ( -0.664 0.371 0.911) 1.186 98.854 ( -0.359 -0.027 0.655) 0.747 99.283 ( -0.295 -0.330 0.226) 0.497 99.358 ( 0.350 0.491 0.687) 0.914 99.645 ( -1.747 -1.610 -1.056) 2.600 99.945 ( 5.980 2.975 1.515) 6.849 100.305 ( -0.886 -0.231 1.608) 1.850 100.949 ( -2.758 -1.830 -8.323) 8.957 ======================= Grid point 89 (32/160) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -1.012 12.961 0.229) 13.003 1.123 ( -9.057 12.295 9.409) 17.937 1.482 ( -2.512 2.532 4.266) 5.561 1.675 ( -2.214 -0.834 2.640) 3.545 1.765 ( -2.408 6.898 -0.868) 7.358 1.824 ( -4.217 -0.318 3.511) 5.496 1.998 ( -1.315 1.207 -1.909) 2.613 2.056 ( -2.018 -4.159 5.594) 7.256 2.086 ( -2.869 0.367 -2.400) 3.758 2.196 ( -3.941 3.160 0.817) 5.117 2.410 ( -2.547 -3.374 -3.685) 5.608 2.489 ( 6.978 1.871 2.399) 7.612 2.616 ( -3.745 -1.879 -0.646) 4.239 2.713 ( -1.659 1.622 -2.155) 3.167 2.782 ( 2.784 0.316 -0.064) 2.802 2.876 ( -7.429 0.277 -1.780) 7.644 3.031 ( -3.561 2.539 -3.098) 5.359 3.546 ( 8.939 -3.464 -0.267) 9.590 4.918 ( -0.496 -0.518 3.035) 3.118 4.944 ( 0.429 -0.013 -0.395) 0.584 5.594 ( -0.294 -0.906 2.523) 2.697 5.702 ( 2.870 -0.081 -0.097) 2.873 5.876 ( 0.183 1.113 0.023) 1.128 6.189 ( 1.387 -0.810 -3.913) 4.230 6.240 ( 1.735 -2.262 -1.471) 3.207 6.348 ( 1.071 -1.161 0.308) 1.609 7.596 ( 0.241 0.783 0.451) 0.935 7.718 ( -0.478 -0.527 0.741) 1.028 8.583 ( 0.322 1.020 0.363) 1.130 8.638 ( -0.750 -0.952 -0.247) 1.237 13.728 ( 3.615 -4.494 1.630) 5.993 14.111 ( 4.508 -2.197 0.624) 5.053 14.576 ( 3.206 -4.442 -0.277) 5.486 15.390 ( 0.415 3.063 -2.359) 3.889 17.842 ( -2.641 -0.666 6.256) 6.823 18.292 ( -6.998 -4.218 19.308) 20.966 18.563 ( 1.319 2.358 -2.737) 3.846 19.929 ( 3.706 1.095 -7.945) 8.835 20.294 ( -3.160 0.114 -0.794) 3.260 20.703 ( 2.206 -2.887 -2.870) 4.630 21.963 ( 0.506 -1.181 5.470) 5.618 22.790 ( 1.640 0.970 -6.018) 6.312 45.634 ( -0.491 1.866 0.736) 2.065 45.750 ( 1.344 -1.314 -0.102) 1.882 46.274 ( -4.021 0.610 -1.754) 4.429 46.493 ( 1.741 3.307 1.614) 4.071 98.764 ( -0.535 0.060 1.187) 1.304 98.855 ( -0.790 -0.302 1.478) 1.703 99.284 ( -0.399 -0.136 0.332) 0.537 99.356 ( 0.362 0.689 0.769) 1.094 99.649 ( -1.323 -1.548 -1.103) 2.316 99.966 ( 8.866 5.360 2.451) 10.647 100.307 ( -0.888 -0.286 2.443) 2.615 100.893 ( -8.480 -4.152 -12.862) 15.956 ======================= Grid point 90 (33/160) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -1.964 15.417 3.553) 15.943 0.833 ( -13.306 13.929 6.566) 20.351 1.229 ( -15.292 20.306 8.514) 26.808 1.542 ( -3.432 3.313 1.414) 4.975 1.682 ( -3.118 1.396 0.504) 3.453 1.880 ( -1.652 -3.735 3.148) 5.157 1.976 ( 0.761 -0.000 -2.321) 2.443 2.052 ( 0.150 1.347 -0.917) 1.636 2.123 ( -0.607 -0.215 1.780) 1.893 2.199 ( -5.386 -7.981 6.333) 11.524 2.422 ( -1.081 -3.527 -1.092) 3.847 2.561 ( 2.684 -0.705 -0.376) 2.801 2.603 ( -1.227 -0.105 -1.579) 2.002 2.643 ( -2.669 1.159 -0.779) 3.013 2.790 ( -1.520 -0.030 1.216) 1.947 2.827 ( -1.462 -0.661 -2.727) 3.164 2.928 ( -3.267 3.025 -2.734) 5.224 3.626 ( 8.296 4.116 -6.297) 11.199 4.946 ( 1.211 -0.170 -1.029) 1.598 4.970 ( -0.923 -3.983 8.296) 9.249 5.611 ( 0.003 -0.091 1.938) 1.940 5.745 ( 2.632 -1.275 0.384) 2.950 5.858 ( 0.518 1.569 -0.068) 1.654 6.205 ( 1.560 -1.190 -2.067) 2.850 6.284 ( 2.393 -1.184 -1.541) 3.083 6.382 ( 0.689 -1.572 -2.281) 2.855 7.593 ( 0.389 0.305 0.652) 0.819 7.719 ( -0.605 -0.002 0.531) 0.805 8.567 ( -0.004 1.211 0.237) 1.234 8.644 ( -0.434 -0.691 -0.455) 0.935 13.848 ( 2.776 -4.565 1.790) 5.635 14.189 ( 3.699 -1.177 0.453) 3.908 14.717 ( 5.196 -7.370 0.065) 9.018 15.322 ( 0.642 4.079 -3.708) 5.550 17.855 ( -3.002 -0.696 6.961) 7.613 18.450 ( -8.785 -13.833 32.364) 36.275 18.534 ( 2.002 1.797 -2.520) 3.686 19.916 ( 3.753 1.127 -7.417) 8.389 20.259 ( -2.742 -0.213 -0.001) 2.750 20.750 ( 0.871 -2.607 -3.903) 4.774 22.016 ( 0.799 -1.217 5.643) 5.827 22.767 ( 1.708 0.711 -5.546) 5.846 45.616 ( -0.739 0.283 2.556) 2.676 45.785 ( 1.474 -1.000 0.140) 1.787 46.210 ( -3.666 1.014 -1.630) 4.138 46.447 ( 3.538 6.236 -0.990) 7.238 98.774 ( -0.506 -1.304 2.313) 2.704 98.862 ( -1.650 -1.077 3.229) 3.783 99.282 ( -0.441 -0.035 0.301) 0.535 99.352 ( 0.515 0.798 0.947) 1.341 99.656 ( -0.573 -1.248 -1.154) 1.793 99.993 ( 15.084 8.826 3.624) 17.848 100.319 ( -0.849 -0.694 3.062) 3.252 100.754 ( -17.478 -4.411 -21.609) 28.141 ======================= Grid point 91 (34/160) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( -2.248 13.601 10.818) 17.523 0.463 ( -13.907 14.657 5.283) 20.884 0.822 ( -14.164 17.383 25.393) 33.876 1.472 ( -4.072 1.677 0.893) 4.493 1.636 ( -0.929 1.296 0.762) 1.767 1.892 ( -0.538 -0.124 -1.450) 1.552 1.975 ( -1.575 0.903 -3.265) 3.736 2.065 ( 2.980 -1.071 0.504) 3.206 2.129 ( 2.228 -0.375 3.266) 3.971 2.325 ( -12.392 -16.625 9.682) 22.885 2.468 ( -2.488 -2.320 -2.822) 4.420 2.556 ( 2.635 -1.243 -1.816) 3.433 2.586 ( -1.395 -2.190 -1.688) 3.096 2.656 ( 3.751 1.328 0.756) 4.050 2.753 ( -6.020 1.060 -2.207) 6.499 2.783 ( -3.278 -0.069 1.495) 3.604 2.905 ( 4.104 0.642 0.874) 4.245 3.467 ( 5.563 22.276 -14.980) 27.415 4.956 ( 1.428 -0.047 -1.121) 1.816 5.157 ( 0.370 -14.649 11.941) 18.903 5.619 ( -0.351 -0.272 1.991) 2.040 5.792 ( 1.380 -1.279 0.334) 1.911 5.839 ( 0.645 1.601 0.680) 1.855 6.243 ( 2.227 -1.673 -0.830) 2.906 6.312 ( 3.404 0.889 -1.331) 3.762 6.364 ( -2.134 1.497 -5.272) 5.881 7.598 ( 0.382 0.070 0.872) 0.954 7.711 ( -0.446 0.426 -0.036) 0.618 8.550 ( -0.222 0.759 0.013) 0.791 8.644 ( -0.197 -0.090 -0.928) 0.953 13.931 ( 0.402 -2.606 0.897) 2.785 14.217 ( -0.086 -0.142 -1.156) 1.168 14.900 ( 5.584 -6.713 2.322) 9.035 15.255 ( 2.838 4.072 -0.670) 5.008 17.861 ( -3.515 -0.335 7.127) 7.953 18.530 ( 2.837 0.803 -1.363) 3.248 19.002 ( -10.808 -50.968 50.148) 72.315 19.907 ( 3.766 0.965 -6.093) 7.227 20.243 ( -1.616 -0.435 0.426) 1.727 20.762 ( -1.389 -1.785 -5.795) 6.221 22.057 ( 0.211 0.548 4.747) 4.783 22.757 ( 2.083 0.041 -4.275) 4.755 45.653 ( -1.975 -5.563 5.827) 8.294 45.811 ( 0.690 -0.603 0.347) 0.980 46.159 ( -1.473 0.767 -1.505) 2.241 46.330 ( 4.716 14.108 -9.334) 17.561 98.817 ( 0.345 -1.918 1.727) 2.604 98.917 ( -5.292 -10.068 8.655) 14.292 99.279 ( -0.394 0.029 0.159) 0.426 99.351 ( 0.247 0.577 0.571) 0.849 99.665 ( 0.248 -0.716 -1.086) 1.324 100.030 ( 25.937 19.924 -4.894) 33.071 100.330 ( -2.528 -0.441 1.373) 2.911 100.414 ( -24.686 1.922 -19.417) 31.466 ======================= Grid point 93 (35/160) ======================= q-point: ( 0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 7.261 -0.000 15.249) 16.889 0.662 ( -3.307 0.000 25.004) 25.222 1.177 ( 26.461 -0.000 16.836) 31.363 1.426 ( 4.286 -0.000 -3.568) 5.577 1.668 ( 3.241 -0.000 1.182) 3.450 1.832 ( -4.378 0.000 -5.833) 7.293 1.965 ( 1.359 -0.000 -1.437) 1.978 2.041 ( -0.949 0.000 0.224) 0.975 2.060 ( 4.937 -0.000 0.296) 4.946 2.382 ( -0.814 0.000 -5.590) 5.649 2.385 ( -2.632 0.000 -1.861) 3.223 2.610 ( 2.741 -0.000 -4.776) 5.507 2.658 ( 1.334 -0.000 1.675) 2.141 2.752 ( -1.679 0.000 -1.744) 2.421 2.754 ( -1.153 0.000 4.486) 4.632 2.790 ( 2.822 -0.000 0.405) 2.851 3.046 ( -1.321 0.000 9.388) 9.480 3.307 ( 13.190 -0.000 -11.740) 17.658 4.988 ( 0.715 -0.000 0.250) 0.758 5.008 ( -11.062 0.000 6.037) 12.603 5.609 ( -1.453 0.000 1.551) 2.125 5.771 ( -0.779 0.000 -1.295) 1.511 5.864 ( -0.967 0.000 3.624) 3.750 6.252 ( -0.825 0.000 -1.793) 1.974 6.302 ( -0.047 0.000 0.604) 0.606 6.343 ( -2.113 0.000 -3.265) 3.889 7.614 ( -0.623 0.000 1.666) 1.779 7.704 ( 0.623 -0.000 -0.706) 0.942 8.528 ( -0.513 0.000 -0.517) 0.729 8.632 ( 0.572 -0.000 -1.325) 1.443 13.920 ( -3.555 0.000 1.797) 3.984 14.040 ( -5.884 0.000 -3.654) 6.926 15.067 ( -3.963 0.000 4.803) 6.227 15.369 ( -4.732 0.000 -8.879) 10.061 17.837 ( -3.211 0.000 5.647) 6.496 18.500 ( -34.148 0.000 28.265) 44.329 18.629 ( 2.233 -0.000 2.885) 3.648 19.995 ( 5.516 -0.000 -1.936) 5.846 20.225 ( 0.193 -0.000 -1.042) 1.060 20.735 ( 0.362 -0.000 -7.457) 7.466 22.032 ( -3.973 0.000 6.204) 7.367 22.803 ( 3.905 -0.000 -3.149) 5.017 45.608 ( -3.223 0.000 3.733) 4.931 45.811 ( -1.453 0.000 1.362) 1.991 46.077 ( 5.624 -0.000 -0.965) 5.707 46.224 ( 6.084 -0.000 -0.371) 6.095 98.771 ( -4.526 0.000 4.149) 6.139 98.850 ( -0.241 0.000 2.079) 2.093 99.279 ( 0.868 -0.000 0.161) 0.883 99.298 ( 1.349 -0.000 0.582) 1.469 99.677 ( 1.771 -0.000 -0.212) 1.784 99.701 ( 2.962 -0.000 -0.832) 3.077 100.278 ( -2.597 0.000 -0.051) 2.597 101.289 ( 14.783 -0.000 -19.165) 24.204 ======================= Grid point 94 (36/160) ======================= q-point: ( 0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 3.610 -2.678 15.612) 16.246 0.876 ( 4.664 -7.269 15.676) 17.898 1.445 ( 9.227 1.624 -1.143) 9.438 1.583 ( 17.542 -6.639 7.914) 20.357 1.725 ( 2.956 -1.099 1.840) 3.651 1.755 ( -1.970 0.900 -5.681) 6.080 1.968 ( 2.117 -0.496 -1.573) 2.684 2.026 ( 0.342 1.725 -0.492) 1.826 2.132 ( 5.505 -0.511 1.856) 5.832 2.292 ( -1.830 3.357 -3.573) 5.233 2.414 ( 2.141 -0.073 -1.080) 2.399 2.534 ( -0.832 5.338 1.285) 5.553 2.641 ( 3.395 2.131 -1.040) 4.141 2.701 ( 1.397 1.497 0.834) 2.211 2.757 ( 0.162 -1.534 -1.959) 2.493 2.921 ( 2.008 -4.719 -0.924) 5.211 3.097 ( -0.757 -1.895 8.147) 8.399 3.391 ( 4.997 -1.898 -9.342) 10.763 4.931 ( -5.371 1.096 4.006) 6.789 4.992 ( 0.344 0.453 0.552) 0.793 5.597 ( -1.888 0.355 1.593) 2.496 5.743 ( -0.971 1.536 -0.769) 1.973 5.878 ( -0.915 -0.981 2.966) 3.255 6.225 ( -1.570 1.161 -1.895) 2.721 6.287 ( -1.524 0.114 -2.783) 3.175 6.313 ( -2.748 -1.051 -0.201) 2.949 7.617 ( -0.953 -0.370 2.152) 2.382 7.705 ( 0.685 0.363 -0.969) 1.241 8.525 ( -0.691 -0.772 -0.568) 1.182 8.633 ( 0.749 -0.036 -1.178) 1.397 13.859 ( -4.980 3.239 2.724) 6.536 13.969 ( -4.681 -0.175 -2.501) 5.311 14.971 ( -8.695 5.689 3.629) 11.006 15.273 ( -8.768 -3.793 -6.719) 11.680 17.833 ( -2.688 -0.178 5.311) 5.956 18.319 ( -16.769 2.164 20.313) 26.429 18.660 ( 1.415 0.382 3.000) 3.339 20.038 ( 3.733 0.522 -1.180) 3.949 20.230 ( 1.393 -0.776 -1.957) 2.524 20.688 ( -0.338 1.313 -6.798) 6.932 22.009 ( -4.384 1.037 6.113) 7.593 22.831 ( 4.184 0.085 -3.356) 5.364 45.612 ( -0.471 -0.874 2.496) 2.686 45.803 ( -0.904 0.477 1.347) 1.691 46.178 ( 4.596 -4.589 -2.525) 6.968 46.301 ( 7.130 -0.870 0.089) 7.184 98.758 ( -1.746 -0.439 2.565) 3.134 98.859 ( 0.044 -0.002 2.181) 2.182 99.277 ( 0.778 0.922 0.111) 1.212 99.329 ( 0.898 -1.093 0.795) 1.623 99.665 ( 0.674 1.895 -1.086) 2.286 99.783 ( 4.331 -3.929 -0.293) 5.855 100.256 ( -1.749 -0.570 -0.331) 1.869 101.251 ( 5.530 6.305 -12.944) 15.423 ======================= Grid point 95 (37/160) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 6.732 -5.679 8.379) 12.156 1.103 ( 3.727 -6.807 13.486) 15.560 1.505 ( 8.490 1.778 0.197) 8.677 1.695 ( -2.330 -0.184 -1.898) 3.012 1.748 ( 1.918 2.246 1.489) 3.308 1.789 ( 6.539 1.000 -4.540) 8.023 2.004 ( 0.960 0.950 -0.199) 1.365 2.049 ( 3.093 -2.489 1.751) 4.340 2.210 ( 5.846 -0.294 1.708) 6.098 2.274 ( 2.046 -2.572 0.052) 3.287 2.344 ( 3.940 6.227 1.611) 7.543 2.565 ( 1.585 -2.814 -0.249) 3.239 2.645 ( 1.591 0.223 -1.523) 2.214 2.690 ( 0.543 1.474 2.172) 2.680 2.779 ( 0.256 -2.031 -2.500) 3.231 2.998 ( 2.099 -3.078 -0.428) 3.750 3.131 ( -1.415 0.164 4.048) 4.291 3.376 ( 1.462 3.262 -5.743) 6.765 4.897 ( -2.108 0.052 1.864) 2.815 4.987 ( 0.144 0.844 0.600) 1.045 5.573 ( -1.951 0.755 1.544) 2.600 5.710 ( -0.533 1.066 0.204) 1.209 5.894 ( -0.774 -0.597 1.878) 2.117 6.162 ( -2.968 1.764 -3.329) 4.796 6.254 ( -1.558 -0.198 -3.374) 3.722 6.316 ( -1.604 -1.387 1.456) 2.572 7.625 ( -1.205 -0.676 2.681) 3.016 7.697 ( 0.658 0.724 -1.379) 1.691 8.531 ( -0.831 -1.276 -0.650) 1.655 8.638 ( 0.785 -0.064 -0.690) 1.047 13.748 ( -5.035 4.744 2.387) 7.318 13.931 ( -2.050 -0.928 -1.393) 2.646 14.774 ( -11.426 6.036 2.413) 13.145 15.258 ( -7.377 -7.709 -4.027) 11.405 17.833 ( -2.385 -0.125 5.056) 5.592 18.243 ( -9.416 0.606 14.862) 17.604 18.672 ( 0.726 0.984 1.946) 2.299 20.038 ( 1.738 1.847 -2.439) 3.518 20.263 ( 2.112 -1.912 -2.114) 3.548 20.635 ( -0.145 1.089 -5.792) 5.895 21.969 ( -3.569 1.739 5.604) 6.868 22.853 ( 3.807 0.615 -3.854) 5.453 45.639 ( 0.429 -1.231 1.545) 2.022 45.785 ( -0.325 1.545 0.941) 1.838 46.267 ( 2.975 -2.904 -3.020) 5.139 46.398 ( 6.568 -1.611 0.856) 6.816 98.764 ( -0.932 -0.671 1.721) 2.069 98.868 ( 0.356 0.343 1.781) 1.848 99.272 ( 0.476 0.490 -0.034) 0.684 99.353 ( 0.489 -0.505 0.952) 1.184 99.634 ( -0.295 1.238 -1.635) 2.072 99.892 ( 5.510 -2.780 0.704) 6.212 100.258 ( -0.674 -1.319 0.131) 1.487 101.131 ( 1.075 6.275 -9.378) 11.335 ======================= Grid point 96 (38/160) ======================= q-point: ( 0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 8.450 -2.663 3.550) 9.544 1.294 ( 0.818 -6.533 13.045) 14.613 1.555 ( 8.784 4.990 1.079) 10.160 1.674 ( 0.404 3.951 -0.265) 3.980 1.702 ( -1.302 0.113 3.255) 3.507 1.803 ( 3.835 0.372 -4.481) 5.910 2.008 ( 0.476 1.433 3.900) 4.182 2.073 ( -0.471 -0.089 -0.538) 0.721 2.209 ( 2.796 3.104 -1.309) 4.378 2.312 ( 3.024 -0.412 0.264) 3.064 2.436 ( 4.758 -2.456 -2.004) 5.717 2.594 ( 0.044 0.138 -1.690) 1.696 2.654 ( -0.226 -0.867 -0.722) 1.151 2.685 ( 1.414 0.528 1.312) 2.000 2.794 ( -2.651 -1.083 -1.329) 3.157 3.064 ( 1.551 -2.708 -1.237) 3.357 3.089 ( -5.710 2.523 3.974) 7.401 3.309 ( 5.123 4.553 -2.740) 7.381 4.895 ( -0.594 -0.680 0.740) 1.167 4.974 ( -0.081 1.077 0.512) 1.195 5.554 ( -1.760 0.020 1.863) 2.563 5.704 ( 1.418 0.374 0.502) 1.551 5.896 ( -0.635 0.171 0.917) 1.128 6.100 ( -2.502 -0.486 -3.585) 4.398 6.229 ( -0.259 0.335 -2.979) 3.009 6.326 ( -1.803 -1.210 1.427) 2.598 7.633 ( -1.296 -0.228 2.687) 2.991 7.688 ( 0.582 0.297 -1.405) 1.549 8.543 ( -0.719 -1.733 -0.518) 1.947 8.642 ( 0.488 0.264 -0.221) 0.598 13.652 ( -2.135 2.876 1.571) 3.911 13.945 ( 1.390 -2.132 -1.316) 2.865 14.591 ( -9.942 3.205 2.214) 10.678 15.302 ( -6.872 -8.355 -1.832) 10.971 17.831 ( -2.317 0.027 4.965) 5.479 18.220 ( -6.838 -0.363 12.644) 14.379 18.663 ( 0.377 1.571 0.322) 1.648 20.005 ( 1.648 2.119 -4.586) 5.313 20.298 ( 0.551 -1.441 -1.944) 2.482 20.607 ( 1.022 -0.227 -4.544) 4.664 21.939 ( -2.107 1.160 5.181) 5.712 22.855 ( 3.093 1.354 -4.629) 5.730 45.671 ( 0.925 -1.235 0.683) 1.688 45.756 ( 0.126 2.415 0.398) 2.451 46.306 ( 1.062 -0.839 -2.411) 2.765 46.488 ( 4.702 -1.099 1.424) 5.035 98.771 ( -0.709 -0.415 1.229) 1.478 98.869 ( 0.324 0.812 1.023) 1.345 99.272 ( 0.231 -0.043 0.003) 0.235 99.366 ( 0.196 -0.061 0.899) 0.922 99.610 ( -0.686 0.074 -1.604) 1.746 99.992 ( 7.025 -0.694 1.781) 7.280 100.278 ( -0.336 -1.350 0.738) 1.575 100.997 ( -2.385 4.473 -8.206) 9.645 ======================= Grid point 97 (39/160) ======================= q-point: (-0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 6.404 4.883 1.869) 8.267 1.424 ( -0.704 1.476 10.372) 10.500 1.521 ( 1.287 2.602 1.620) 3.325 1.641 ( 5.847 4.221 4.927) 8.734 1.731 ( -2.211 -1.930 3.728) 4.745 1.840 ( 5.018 -1.501 -3.089) 6.081 2.002 ( 1.923 2.818 5.675) 6.622 2.056 ( -0.945 0.102 -1.097) 1.452 2.219 ( 1.435 -0.064 -1.437) 2.032 2.310 ( 0.006 3.994 -2.238) 4.579 2.411 ( -3.973 2.720 -5.597) 7.383 2.571 ( -3.070 -0.573 -2.938) 4.288 2.606 ( 0.934 4.551 1.384) 4.848 2.730 ( 1.258 0.358 -0.027) 1.308 2.765 ( -0.164 -1.710 -0.152) 1.724 2.939 ( -8.723 4.266 -0.758) 9.740 3.098 ( -2.255 0.702 -0.197) 2.370 3.380 ( 9.129 -3.758 0.689) 9.896 4.907 ( -0.043 -0.727 0.556) 0.916 4.957 ( -0.279 0.994 0.327) 1.083 5.553 ( -1.784 -1.065 2.322) 3.116 5.727 ( 3.988 0.803 0.016) 4.068 5.890 ( -0.364 0.090 0.605) 0.711 6.100 ( -0.814 -3.470 -3.139) 4.749 6.212 ( 0.644 0.272 -2.813) 2.898 6.327 ( -2.047 -0.798 1.022) 2.424 7.626 ( -0.830 0.754 1.558) 1.919 7.692 ( 0.096 -0.733 -0.312) 0.803 8.565 ( -0.490 -1.884 -0.247) 1.962 8.637 ( 0.122 0.669 0.046) 0.682 13.638 ( 1.784 -0.634 1.181) 2.232 14.015 ( 4.798 -3.154 -1.985) 6.075 14.496 ( -6.324 -0.951 2.747) 6.960 15.342 ( -7.219 -6.444 -0.785) 9.708 17.830 ( -2.336 -0.082 5.337) 5.826 18.221 ( -6.020 -1.070 12.620) 14.023 18.636 ( 0.412 2.006 -1.225) 2.386 19.971 ( 2.361 1.644 -6.021) 6.673 20.297 ( -1.248 -0.073 -1.737) 2.140 20.624 ( 2.232 -1.891 -3.583) 4.626 21.937 ( -0.962 -0.113 4.962) 5.056 22.835 ( 2.472 1.798 -5.368) 6.177 45.701 ( 0.891 -0.345 0.077) 0.959 45.720 ( 0.896 1.923 0.152) 2.127 46.297 ( -0.891 0.727 -1.611) 1.980 46.540 ( 2.510 0.216 1.364) 2.865 98.772 ( -0.517 0.047 0.990) 1.118 98.861 ( 0.028 0.789 0.533) 0.953 99.277 ( 0.009 -0.225 0.155) 0.274 99.369 ( 0.048 0.181 0.705) 0.730 99.602 ( -0.686 -0.844 -1.267) 1.669 100.081 ( 9.202 1.414 2.440) 9.624 100.295 ( -0.620 -0.736 1.306) 1.622 100.862 ( -6.148 2.222 -8.420) 10.660 ======================= Grid point 98 (40/160) ======================= q-point: (-0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 3.834 12.759 2.217) 13.505 1.278 ( -5.228 12.404 4.407) 14.163 1.574 ( 3.475 1.920 6.783) 7.859 1.671 ( 3.444 2.005 3.270) 5.155 1.755 ( -3.756 -3.963 5.492) 7.744 1.886 ( 0.751 4.537 -3.276) 5.646 2.003 ( -4.113 4.208 -2.695) 6.472 2.031 ( 2.065 0.610 5.556) 5.958 2.113 ( -1.171 5.345 -1.215) 5.605 2.210 ( -2.671 1.844 0.625) 3.305 2.339 ( -0.615 0.154 -4.606) 4.650 2.526 ( -5.340 -1.273 -1.149) 5.608 2.605 ( 5.362 2.134 2.980) 6.496 2.714 ( -0.316 1.403 -2.610) 2.980 2.798 ( -6.016 1.637 0.428) 6.249 2.810 ( 0.849 -1.312 -0.455) 1.628 3.021 ( -3.898 2.776 -2.670) 5.480 3.554 ( 6.846 -5.714 -0.685) 8.943 4.918 ( -0.339 -0.354 1.707) 1.776 4.946 ( 0.073 0.145 -0.175) 0.238 5.572 ( -1.271 -1.949 2.473) 3.396 5.755 ( 4.524 1.476 -0.365) 4.773 5.889 ( -0.145 0.244 0.535) 0.606 6.144 ( 0.030 -3.436 -3.013) 4.570 6.220 ( 1.560 -1.538 -1.838) 2.860 6.325 ( -1.570 -1.377 -0.113) 2.092 7.612 ( -0.349 0.788 1.059) 1.365 7.704 ( -0.342 -0.823 0.245) 0.924 8.587 ( -0.162 -1.223 -0.109) 1.238 8.625 ( -0.212 0.636 0.048) 0.672 13.709 ( 3.514 -3.373 1.374) 5.061 14.115 ( 5.769 -3.136 -2.861) 7.163 14.516 ( -1.915 -5.153 3.706) 6.630 15.344 ( -6.365 -3.618 -1.117) 7.406 17.835 ( -2.449 -0.408 6.110) 6.595 18.245 ( -6.396 -2.415 15.015) 16.498 18.601 ( 0.852 2.108 -2.123) 3.110 19.950 ( 3.099 1.075 -6.329) 7.129 20.267 ( -1.783 0.692 -1.151) 2.232 20.670 ( 2.300 -2.510 -3.575) 4.937 21.965 ( -0.621 -1.418 4.852) 5.093 22.806 ( 2.223 1.731 -5.648) 6.312 45.674 ( 0.321 2.632 0.518) 2.702 45.745 ( 1.663 -1.228 -0.057) 2.068 46.255 ( -1.873 1.729 -1.026) 2.748 46.548 ( 0.926 1.443 0.115) 1.718 98.769 ( -0.304 0.316 1.102) 1.186 98.853 ( -0.393 0.309 0.783) 0.929 99.279 ( -0.193 -0.116 0.280) 0.359 99.368 ( -0.059 0.295 0.464) 0.553 99.609 ( -0.362 -1.313 -0.924) 1.646 100.172 ( 12.427 2.948 2.632) 13.040 100.303 ( -0.792 -0.429 1.836) 2.045 100.706 ( -10.823 1.180 -9.932) 14.737 ======================= Grid point 99 (41/160) ======================= q-point: (-0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 2.366 16.449 5.041) 17.366 0.989 ( -7.573 16.576 1.969) 18.330 1.520 ( -0.782 19.473 11.474) 22.615 1.594 ( -5.616 8.566 -1.505) 10.352 1.671 ( -1.090 0.114 1.686) 2.011 1.830 ( -1.780 -4.015 6.570) 7.903 1.949 ( -1.422 -0.632 -5.860) 6.064 2.059 ( -1.126 -2.252 2.876) 3.822 2.138 ( 5.414 2.197 1.111) 5.948 2.159 ( -1.812 2.049 1.018) 2.918 2.341 ( -0.527 -3.483 -2.157) 4.131 2.489 ( -3.595 -1.674 0.581) 4.008 2.621 ( -0.955 1.332 -2.668) 3.131 2.671 ( 1.412 0.939 1.233) 2.097 2.776 ( -0.398 -0.174 1.280) 1.352 2.802 ( -2.073 1.017 -2.257) 3.229 2.950 ( 1.285 1.799 -1.277) 2.553 3.670 ( 3.542 -2.811 -5.026) 6.761 4.936 ( -1.430 -1.713 4.495) 5.018 4.951 ( 0.653 -0.336 -0.709) 1.021 5.602 ( -0.985 -1.647 2.152) 2.883 5.772 ( 2.667 0.929 -0.409) 2.854 5.883 ( 0.206 0.854 0.479) 1.000 6.179 ( 0.804 -2.167 -1.245) 2.626 6.272 ( 2.269 -2.752 -1.403) 3.833 6.335 ( -1.114 -2.127 -2.477) 3.450 7.606 ( -0.002 0.414 1.146) 1.219 7.710 ( -0.640 -0.431 0.232) 0.806 8.587 ( -0.048 1.027 -0.041) 1.029 8.624 ( -0.284 -0.859 -0.354) 0.972 13.810 ( 1.805 -4.182 1.492) 4.793 14.188 ( 2.498 -1.846 -3.916) 4.998 14.647 ( 2.066 -8.131 5.350) 9.950 15.324 ( -2.649 -1.146 -1.454) 3.231 17.845 ( -2.785 -0.546 6.772) 7.342 18.311 ( -8.976 -6.299 21.197) 23.866 18.573 ( 1.671 1.690 -1.905) 3.046 19.942 ( 3.529 0.983 -5.703) 6.778 20.236 ( -1.217 0.441 -0.517) 1.394 20.709 ( 1.523 -1.981 -4.400) 5.060 22.009 ( -1.163 -2.296 4.797) 5.444 22.780 ( 2.414 1.291 -5.278) 5.946 45.643 ( 0.056 2.046 1.724) 2.676 45.780 ( 1.059 -1.218 0.036) 1.615 46.203 ( -1.077 1.989 -0.735) 2.378 46.517 ( -0.006 2.317 -3.159) 3.918 98.769 ( -0.333 -0.060 1.866) 1.897 98.849 ( -1.009 -0.071 1.445) 1.764 99.279 ( -0.254 0.009 0.323) 0.411 99.363 ( -0.290 0.323 0.178) 0.469 99.627 ( 0.280 -1.401 -0.657) 1.573 100.274 ( 10.296 2.303 1.286) 10.629 100.320 ( 2.937 -0.456 -0.594) 3.031 100.494 ( -11.892 3.364 -8.338) 14.908 ======================= Grid point 100 (42/160) ======================= q-point: (-0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -3.718 16.594 3.950) 17.458 0.740 ( 2.607 15.630 11.606) 19.641 1.184 ( -1.402 23.111 17.856) 29.239 1.484 ( -1.674 4.058 -0.898) 4.480 1.664 ( 0.643 1.726 2.275) 2.927 1.873 ( -0.273 -1.730 -1.456) 2.278 1.947 ( -1.641 -1.726 -2.285) 3.300 2.080 ( -3.866 0.794 2.073) 4.458 2.105 ( -3.516 -2.554 2.167) 4.856 2.149 ( 1.562 -0.705 1.783) 2.473 2.398 ( 0.326 -3.449 -0.821) 3.561 2.545 ( 4.124 -2.009 1.727) 4.902 2.578 ( 0.604 0.696 -4.061) 4.164 2.657 ( -3.374 0.551 -0.620) 3.474 2.736 ( -1.659 -0.291 -0.246) 1.702 2.800 ( 3.559 1.449 0.249) 3.851 2.971 ( 4.488 0.800 2.004) 4.980 3.643 ( 0.357 5.049 -11.721) 12.767 4.961 ( 0.938 -0.364 -0.682) 1.216 4.994 ( -4.607 -6.019 7.733) 10.829 5.617 ( -1.022 -0.517 1.694) 2.045 5.780 ( -0.219 -0.536 -0.467) 0.744 5.872 ( 0.385 1.275 1.016) 1.675 6.226 ( 1.644 -2.179 0.373) 2.755 6.320 ( -1.439 -1.145 -0.688) 1.963 6.341 ( 2.657 -1.490 -5.399) 6.199 7.608 ( 0.097 0.162 1.344) 1.358 7.707 ( -0.596 -0.076 -0.084) 0.607 8.565 ( -0.257 1.333 -0.163) 1.367 8.632 ( -0.116 -0.606 -0.894) 1.086 13.883 ( -0.778 -3.617 1.066) 3.850 14.185 ( -2.489 -0.386 -4.345) 5.022 14.843 ( 2.911 -8.822 6.363) 11.260 15.327 ( 3.059 0.017 -0.242) 3.069 17.851 ( -3.272 -0.289 6.815) 7.565 18.468 ( -17.866 -16.173 31.208) 39.429 18.570 ( 2.356 0.700 -0.188) 2.465 19.941 ( 3.982 1.172 -4.552) 6.160 20.225 ( -0.363 -0.234 -0.249) 0.499 20.724 ( 1.212 -1.130 -5.419) 5.666 22.048 ( -2.660 -2.035 4.605) 5.694 22.770 ( 2.905 0.697 -4.391) 5.311 45.628 ( -1.072 0.664 3.465) 3.687 45.804 ( 0.156 -0.940 0.219) 0.978 46.171 ( 1.266 1.545 -0.586) 2.082 46.423 ( -2.836 5.539 -9.156) 11.071 98.784 ( -1.521 -1.456 3.658) 4.221 98.845 ( -1.578 -0.205 1.896) 2.475 99.277 ( -0.281 0.105 0.238) 0.383 99.350 ( -0.922 0.586 -0.400) 1.164 99.652 ( 0.903 -1.130 -0.472) 1.521 100.103 ( -16.972 8.692 -15.942) 24.854 100.304 ( -0.954 -0.490 2.067) 2.328 100.592 ( 27.683 -1.574 3.906) 28.002 ======================= Grid point 103 (43/160) ======================= q-point: ( 0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 1.816 -0.000 20.112) 20.194 0.947 ( 10.370 -0.000 8.367) 13.324 1.529 ( 7.319 -0.000 -2.410) 7.706 1.688 ( -4.580 0.000 -1.264) 4.751 1.752 ( 10.340 -0.000 1.803) 10.496 1.822 ( 13.059 -0.000 0.935) 13.092 1.963 ( 1.575 -0.000 -1.214) 1.989 2.080 ( 5.118 -0.000 1.755) 5.410 2.153 ( -0.472 0.000 -1.358) 1.437 2.344 ( 0.408 -0.000 0.596) 0.723 2.390 ( 7.256 -0.000 -1.947) 7.513 2.573 ( -3.580 0.000 -2.610) 4.430 2.701 ( 1.250 -0.000 -0.392) 1.310 2.715 ( 2.304 -0.000 -5.526) 5.987 2.779 ( 1.506 -0.000 2.344) 2.786 2.866 ( 3.441 -0.000 -0.355) 3.460 3.112 ( -1.290 0.000 10.791) 10.868 3.412 ( 6.495 -0.000 -7.966) 10.278 4.903 ( -3.977 0.000 3.062) 5.019 5.002 ( 0.311 -0.000 0.456) 0.552 5.587 ( -2.074 0.000 1.913) 2.822 5.751 ( 0.545 -0.000 -1.492) 1.589 5.868 ( -1.808 0.000 3.687) 4.106 6.217 ( -0.879 0.000 -1.833) 2.033 6.223 ( -5.500 0.000 -3.501) 6.519 6.283 ( -2.265 0.000 0.548) 2.330 7.611 ( -1.291 0.000 2.282) 2.622 7.711 ( 0.777 -0.000 -1.093) 1.341 8.509 ( -0.793 0.000 -0.413) 0.893 8.634 ( 0.709 -0.000 -1.265) 1.450 13.852 ( -4.997 0.000 4.466) 6.702 13.918 ( -2.884 0.000 -0.765) 2.983 14.932 ( -11.446 0.000 2.142) 11.644 15.047 ( -15.969 0.000 -7.988) 17.856 17.830 ( -2.100 0.000 5.027) 5.448 18.260 ( -12.181 0.000 16.059) 20.156 18.688 ( 0.501 -0.000 3.028) 3.069 20.071 ( 1.705 -0.000 -0.425) 1.757 20.229 ( 2.084 -0.000 -2.458) 3.223 20.660 ( -0.864 0.000 -6.410) 6.468 22.002 ( -4.185 0.000 6.644) 7.852 22.863 ( 4.336 -0.000 -3.556) 5.608 45.618 ( 0.925 -0.000 1.893) 2.107 45.809 ( -0.063 0.000 1.741) 1.742 46.198 ( 6.129 -0.000 -1.231) 6.252 46.374 ( 7.736 -0.000 -0.229) 7.739 98.750 ( -0.847 0.000 1.866) 2.050 98.871 ( 0.282 -0.000 2.531) 2.547 99.298 ( 0.450 -0.000 0.346) 0.568 99.333 ( 1.034 -0.000 1.001) 1.439 99.711 ( 1.365 -0.000 -0.504) 1.455 99.783 ( 5.406 -0.000 -0.732) 5.455 100.234 ( -0.800 0.000 -0.553) 0.973 101.262 ( -0.364 0.000 -12.713) 12.718 ======================= Grid point 104 (44/160) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 5.469 -2.650 14.385) 15.616 1.133 ( 8.783 -4.080 7.745) 12.400 1.595 ( 5.336 -0.319 0.336) 5.356 1.656 ( -1.438 -1.390 -1.015) 2.242 1.813 ( 4.140 1.726 0.138) 4.488 1.884 ( 5.439 3.761 -3.303) 7.392 2.010 ( 2.276 -1.938 -0.291) 3.004 2.077 ( -0.219 3.137 -1.984) 3.719 2.214 ( 5.680 -3.913 -0.290) 6.903 2.362 ( 7.384 1.743 4.414) 8.778 2.482 ( 0.243 5.217 -0.865) 5.294 2.510 ( 2.428 -4.758 -0.829) 5.406 2.671 ( 1.369 2.700 -2.977) 4.246 2.739 ( 0.714 -0.907 -3.708) 3.884 2.765 ( 3.625 3.302 2.831) 5.662 2.951 ( 2.031 -4.376 -1.008) 4.928 3.143 ( -1.795 0.574 7.829) 8.052 3.430 ( 4.757 1.690 -5.376) 7.375 4.882 ( -1.975 -0.102 1.728) 2.626 5.002 ( 0.171 0.532 0.332) 0.650 5.569 ( -2.187 0.520 2.044) 3.038 5.739 ( 1.540 1.788 -0.611) 2.438 5.877 ( -1.531 -1.266 2.555) 3.237 6.132 ( -5.007 1.531 -3.469) 6.281 6.210 ( -1.471 -1.236 -2.006) 2.778 6.270 ( -2.799 -1.530 0.476) 3.226 7.611 ( -1.527 -0.542 2.520) 2.995 7.710 ( 0.704 0.533 -1.330) 1.596 8.504 ( -0.890 -0.635 -0.311) 1.137 8.639 ( 0.659 -0.283 -0.943) 1.184 13.787 ( -4.296 4.090 4.597) 7.504 13.906 ( -0.135 -0.576 0.629) 0.864 14.715 ( -15.285 5.051 -1.298) 16.150 14.969 ( -13.735 -10.662 -4.283) 17.907 17.832 ( -1.803 0.009 4.884) 5.207 18.217 ( -8.144 0.048 12.717) 15.101 18.697 ( -0.223 0.541 1.783) 1.876 20.064 ( -0.061 1.145 -1.847) 2.174 20.254 ( 2.433 -0.961 -1.790) 3.170 20.619 ( -0.441 0.554 -5.342) 5.389 21.981 ( -3.531 1.022 6.182) 7.193 22.886 ( 3.973 0.520 -4.048) 5.696 45.643 ( 1.447 -0.470 1.300) 2.002 45.811 ( 0.365 0.925 1.322) 1.654 46.266 ( 4.744 -1.235 -1.444) 5.110 46.458 ( 6.995 -0.496 0.024) 7.012 98.755 ( -0.418 -0.378 1.393) 1.503 98.886 ( 0.491 0.169 2.308) 2.365 99.292 ( 0.224 0.996 0.245) 1.050 99.353 ( 0.389 -0.627 0.962) 1.212 99.675 ( 1.029 3.767 -1.250) 4.101 99.894 ( 5.904 -4.663 -0.065) 7.523 100.237 ( 0.210 -0.876 0.217) 0.927 101.158 ( -2.502 3.854 -10.273) 11.254 ======================= Grid point 105 (45/160) ======================= q-point: ( 0.44 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 7.579 -4.634 8.911) 12.583 1.299 ( 4.541 -2.724 8.477) 9.996 1.630 ( -2.716 -2.354 0.695) 3.661 1.717 ( 8.396 0.275 1.202) 8.486 1.794 ( 0.479 4.122 3.068) 5.161 1.846 ( 4.066 3.137 -5.390) 7.445 2.026 ( -0.121 0.721 -1.026) 1.260 2.063 ( 1.937 -1.198 -0.067) 2.279 2.315 ( 3.613 -1.843 -1.606) 4.362 2.376 ( 5.764 7.528 2.039) 9.699 2.444 ( -0.650 -0.516 -2.226) 2.375 2.592 ( 1.547 -1.190 -1.562) 2.500 2.628 ( 1.636 1.014 -1.180) 2.258 2.723 ( 0.710 1.121 -2.203) 2.572 2.779 ( 1.860 1.395 1.888) 2.995 3.027 ( 1.170 -3.248 -0.680) 3.519 3.105 ( -4.499 3.931 5.230) 7.940 3.415 ( 4.735 3.397 -3.066) 6.585 4.881 ( -0.628 -0.669 0.830) 1.237 4.992 ( -0.055 0.963 0.124) 0.973 5.546 ( -2.163 0.550 2.165) 3.109 5.741 ( 3.297 0.739 0.300) 3.392 5.890 ( -0.809 -0.657 0.995) 1.441 6.049 ( -3.932 0.403 -2.931) 4.920 6.206 ( -1.054 -1.043 -2.295) 2.732 6.273 ( -2.937 -2.297 0.438) 3.755 7.618 ( -1.766 -0.864 2.692) 3.334 7.699 ( 0.761 0.821 -1.567) 1.926 8.509 ( -0.755 -1.304 -0.177) 1.517 8.646 ( 0.432 -0.181 -0.460) 0.656 13.700 ( -1.533 4.200 3.233) 5.517 13.941 ( 3.223 -1.401 0.508) 3.551 14.501 ( -13.628 1.417 -0.389) 13.707 15.009 ( -12.394 -13.117 -2.369) 18.201 17.834 ( -1.854 0.205 4.873) 5.218 18.200 ( -6.036 -0.400 11.188) 12.719 18.684 ( -0.508 1.001 -0.042) 1.123 20.027 ( 0.186 1.548 -4.078) 4.366 20.282 ( 1.254 -0.701 -0.990) 1.744 20.594 ( 0.744 -0.103 -4.139) 4.206 21.957 ( -2.499 1.093 5.357) 6.012 22.890 ( 3.245 1.377 -4.728) 5.898 45.673 ( 1.537 -0.702 0.670) 1.818 45.797 ( 0.522 1.949 0.591) 2.103 46.310 ( 2.604 -0.026 -1.280) 2.902 46.532 ( 4.940 -0.425 0.413) 4.975 98.763 ( -0.339 -0.425 1.117) 1.243 98.892 ( 0.317 0.813 1.499) 1.734 99.281 ( 0.198 0.613 0.142) 0.659 99.366 ( -0.109 -0.370 0.764) 0.855 99.626 ( 0.695 2.608 -1.164) 2.939 100.034 ( 6.648 -4.191 0.355) 7.867 100.261 ( 0.304 -1.140 1.121) 1.627 101.005 ( -3.702 5.529 -8.355) 10.681 ======================= Grid point 106 (46/160) ======================= q-point: (-0.44 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 6.981 1.346 1.375) 7.242 1.422 ( 0.042 -5.501 13.562) 14.636 1.639 ( -3.921 -2.692 1.722) 5.058 1.656 ( -0.561 9.397 1.193) 9.489 1.830 ( 6.046 -0.310 -4.051) 7.284 1.880 ( 9.172 1.628 4.415) 10.309 2.031 ( -0.467 -1.703 0.473) 1.828 2.086 ( 2.504 1.661 0.095) 3.006 2.296 ( -0.715 3.974 -3.176) 5.137 2.316 ( -1.912 4.656 -2.881) 5.799 2.421 ( 2.084 1.528 -0.398) 2.614 2.543 ( -0.421 3.614 -3.380) 4.966 2.674 ( 1.757 -0.325 1.641) 2.426 2.718 ( 0.189 -1.713 -3.181) 3.617 2.780 ( 2.672 1.949 3.045) 4.496 2.951 ( -6.236 7.380 0.183) 9.664 3.069 ( -3.409 -0.574 1.694) 3.850 3.428 ( 5.620 -0.191 -1.601) 5.847 4.895 ( -0.049 -0.998 0.556) 1.144 4.972 ( -0.318 1.182 -0.122) 1.230 5.531 ( -1.967 -0.292 2.365) 3.090 5.784 ( 4.739 -0.024 0.353) 4.752 5.890 ( -0.153 0.105 0.037) 0.189 6.025 ( -1.577 -2.607 -1.712) 3.495 6.198 ( -0.908 -0.726 -2.426) 2.690 6.279 ( -2.637 -1.896 -0.084) 3.249 7.622 ( -1.869 -0.518 2.482) 3.150 7.690 ( 0.877 0.374 -1.427) 1.716 8.527 ( -0.468 -1.863 0.027) 1.921 8.647 ( 0.209 0.291 -0.066) 0.364 13.670 ( 1.810 1.216 2.114) 3.037 14.021 ( 5.842 -2.388 -1.090) 6.405 14.390 ( -9.371 -2.668 1.949) 9.936 15.081 ( -11.097 -12.299 -1.345) 16.620 17.832 ( -2.026 0.211 5.226) 5.609 18.202 ( -5.093 -0.800 11.174) 12.306 18.656 ( -0.347 1.298 -1.698) 2.165 19.988 ( 1.232 1.248 -5.621) 5.888 20.289 ( 0.221 0.439 -0.513) 0.711 20.603 ( 1.871 -1.401 -3.309) 4.051 21.946 ( -1.810 0.261 4.618) 4.967 22.870 ( 2.602 2.053 -5.396) 6.333 45.703 ( 1.398 -0.845 0.167) 1.642 45.769 ( 0.606 2.494 0.111) 2.569 46.310 ( 0.774 1.559 -0.610) 1.844 46.573 ( 2.281 0.354 0.204) 2.317 98.770 ( -0.325 -0.248 1.051) 1.128 98.881 ( 0.024 1.244 0.635) 1.397 99.278 ( 0.179 0.149 0.256) 0.346 99.370 ( -0.327 -0.151 0.419) 0.552 99.599 ( 0.526 1.074 -0.593) 1.335 100.168 ( 7.216 -3.178 -0.295) 7.890 100.285 ( -0.141 -0.766 1.923) 2.075 100.832 ( -4.722 6.167 -6.831) 10.344 ======================= Grid point 107 (47/160) ======================= q-point: (-0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 1.412 6.313 1.179) 6.576 1.453 ( -2.971 12.082 4.340) 13.177 1.599 ( 2.281 -4.533 8.201) 9.644 1.655 ( -5.541 -4.008 3.194) 7.548 1.860 ( 4.557 5.066 -4.319) 8.068 1.918 ( 4.738 4.864 0.928) 6.853 2.008 ( -1.741 2.361 -2.946) 4.157 2.126 ( 0.692 -4.006 3.419) 5.312 2.135 ( -4.335 5.785 -1.281) 7.342 2.253 ( 2.292 5.692 0.740) 6.180 2.387 ( 2.687 5.649 -1.047) 6.343 2.477 ( -1.828 1.049 -0.573) 2.185 2.682 ( 1.735 1.332 0.177) 2.194 2.749 ( 1.739 2.886 -1.480) 3.680 2.759 ( -3.151 1.362 0.438) 3.460 2.813 ( -1.387 0.789 1.950) 2.519 3.013 ( -2.631 1.963 -0.767) 3.371 3.512 ( 2.817 -4.746 -2.288) 5.975 4.913 ( -0.110 -0.834 0.924) 1.249 4.951 ( -0.240 0.760 -0.289) 0.847 5.539 ( -1.448 -1.540 2.416) 3.211 5.824 ( 3.486 1.175 -0.242) 3.687 5.888 ( -0.044 -0.060 0.055) 0.093 6.075 ( 0.844 -4.297 -0.724) 4.439 6.197 ( -0.292 -1.504 -1.726) 2.308 6.278 ( -1.716 -1.456 -1.418) 2.660 7.618 ( -1.366 0.046 1.881) 2.325 7.693 ( 0.522 -0.301 -0.789) 0.993 8.556 ( -0.198 -1.975 0.034) 1.985 8.640 ( 0.090 0.853 0.124) 0.867 13.709 ( 2.290 -1.597 1.935) 3.397 14.112 ( 4.971 -2.529 -3.760) 6.727 14.410 ( -3.830 -6.524 5.335) 9.257 15.150 ( -7.239 -9.708 -1.819) 12.246 17.834 ( -2.216 -0.069 5.916) 6.318 18.219 ( -5.101 -1.256 12.570) 13.624 18.624 ( 0.226 1.330 -2.571) 2.903 19.965 ( 2.263 0.598 -6.018) 6.457 20.273 ( 0.184 1.469 -0.137) 1.487 20.640 ( 2.039 -2.123 -3.343) 4.454 21.952 ( -1.834 -0.948 4.088) 4.579 22.836 ( 2.370 2.113 -5.686) 6.512 45.718 ( 0.492 1.445 0.241) 1.545 45.748 ( 0.919 0.096 0.002) 0.924 46.279 ( 0.163 2.591 0.092) 2.598 46.570 ( -0.049 1.275 -1.045) 1.650 98.774 ( -0.293 0.011 1.208) 1.243 98.864 ( -0.138 1.007 0.387) 1.088 99.280 ( 0.027 0.058 0.420) 0.425 99.369 ( -0.419 -0.001 0.018) 0.420 99.596 ( 0.606 -0.141 -0.004) 0.622 100.274 ( 3.424 -2.843 -3.671) 5.769 100.302 ( 0.840 -0.131 2.605) 2.740 100.656 ( -2.706 6.829 -3.989) 8.359 ======================= Grid point 108 (48/160) ======================= q-point: (-0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -3.565 12.643 -0.932) 13.169 1.221 ( -1.240 14.150 5.600) 15.268 1.623 ( -6.725 4.404 -2.452) 8.405 1.697 ( 0.135 2.502 2.128) 3.287 1.746 ( -4.174 -4.439 7.912) 9.986 1.876 ( 0.179 5.708 -3.139) 6.517 1.931 ( 4.413 9.338 3.267) 10.833 2.056 ( 0.797 1.099 0.297) 1.390 2.166 ( -4.017 -0.861 1.090) 4.250 2.200 ( -0.524 4.698 1.817) 5.064 2.350 ( 5.687 2.176 -1.175) 6.201 2.476 ( 1.787 -1.351 3.377) 4.052 2.626 ( -1.535 3.804 -1.628) 4.413 2.698 ( 2.015 0.381 0.098) 2.053 2.759 ( -3.479 2.340 -1.662) 4.510 2.809 ( 1.790 -1.219 0.180) 2.173 2.996 ( 3.627 0.835 0.651) 3.778 3.587 ( -1.676 -5.312 -4.821) 7.367 4.923 ( -1.074 -0.363 2.235) 2.506 4.947 ( 0.417 -0.391 -0.579) 0.814 5.566 ( -1.274 -2.161 2.076) 3.256 5.813 ( 0.184 2.052 -0.674) 2.168 5.891 ( -0.072 -0.132 0.458) 0.482 6.156 ( 2.985 -3.022 0.574) 4.286 6.228 ( -0.439 -3.239 -0.760) 3.356 6.280 ( -0.122 -1.748 -3.620) 4.022 7.614 ( -0.664 0.064 1.705) 1.830 7.699 ( 0.003 -0.318 -0.486) 0.581 8.581 ( -0.091 -1.306 -0.333) 1.351 8.625 ( 0.032 1.039 0.147) 1.050 13.768 ( -0.546 -3.043 1.940) 3.650 14.156 ( 0.872 -1.348 -5.283) 5.521 14.548 ( -0.517 -9.229 7.683) 12.020 15.229 ( -0.174 -6.679 -2.627) 7.179 17.841 ( -2.525 -0.288 6.493) 6.973 18.249 ( -6.469 -2.261 15.450) 16.902 18.600 ( 1.107 0.957 -2.177) 2.623 19.962 ( 2.944 0.095 -5.444) 6.190 20.251 ( 0.881 1.783 -0.011) 1.988 20.674 ( 1.369 -1.889 -4.183) 4.790 21.972 ( -2.511 -2.045 3.864) 5.041 22.807 ( 2.607 1.572 -5.361) 6.165 45.688 ( 0.034 2.401 1.165) 2.669 45.767 ( 0.046 -1.244 -0.029) 1.245 46.242 ( 1.216 2.801 0.532) 3.099 46.524 ( -1.659 2.123 -3.494) 4.412 98.776 ( -0.297 0.121 1.614) 1.646 98.851 ( -0.385 0.585 0.697) 0.988 99.280 ( -0.075 0.110 0.527) 0.544 99.362 ( -0.508 0.163 -0.327) 0.626 99.615 ( 1.030 -0.890 0.455) 1.435 100.243 ( -9.029 0.930 -10.307) 13.734 100.306 ( -1.154 0.370 2.049) 2.380 100.607 ( 12.410 3.145 2.313) 13.010 ======================= Grid point 109 (49/160) ======================= q-point: (-0.11 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -1.636 14.578 0.986) 14.703 1.038 ( -0.016 13.488 10.730) 17.235 1.445 ( -4.139 6.357 -0.392) 7.595 1.667 ( 1.349 7.873 5.230) 9.548 1.734 ( 3.398 7.146 2.866) 8.416 1.823 ( -4.921 -2.105 4.779) 7.175 1.885 ( 2.958 0.559 -4.035) 5.035 2.061 ( -1.441 -0.531 0.343) 1.573 2.109 ( -0.501 3.697 1.037) 3.873 2.138 ( -1.868 -0.049 1.174) 2.206 2.394 ( 3.588 -0.509 -0.135) 3.626 2.553 ( -1.879 -0.544 -0.153) 1.962 2.582 ( 2.532 -0.594 1.457) 2.981 2.667 ( 0.334 2.791 -2.165) 3.548 2.736 ( 4.242 0.234 0.714) 4.308 2.841 ( 2.724 -0.290 -0.822) 2.861 3.041 ( 4.510 0.454 1.990) 4.950 3.585 ( -5.123 -2.288 -7.813) 9.619 4.929 ( -2.366 -1.252 3.295) 4.245 4.960 ( 0.482 -0.685 -0.053) 0.839 5.591 ( -1.557 -1.710 1.554) 2.786 5.772 ( -1.931 1.133 -0.401) 2.275 5.892 ( -0.054 0.369 1.022) 1.088 6.221 ( 1.206 -1.191 0.540) 1.779 6.270 ( -0.280 -2.705 -0.814) 2.838 6.305 ( 1.519 -2.841 -4.218) 5.308 7.617 ( -0.265 0.037 1.901) 1.919 7.698 ( -0.204 -0.175 -0.605) 0.662 8.580 ( -0.387 0.926 -0.528) 1.134 8.620 ( 0.304 -0.324 -0.284) 0.527 13.809 ( -3.189 -3.788 1.610) 5.206 14.123 ( -3.846 0.094 -4.989) 6.300 14.738 ( -0.540 -10.050 7.725) 12.687 15.325 ( 4.270 -3.406 -2.702) 6.093 17.846 ( -2.934 -0.136 6.469) 7.104 18.295 ( -9.969 -4.266 19.477) 22.292 18.600 ( 1.858 0.273 -0.495) 1.942 19.973 ( 3.439 -0.030 -4.241) 5.460 20.238 ( 1.623 1.382 -0.393) 2.168 20.689 ( 0.698 -1.425 -5.306) 5.538 21.995 ( -3.600 -2.482 4.056) 5.964 22.795 ( 3.149 0.807 -4.547) 5.589 45.657 ( -0.668 2.043 2.238) 3.103 45.784 ( -0.770 -1.361 0.169) 1.573 46.227 ( 3.241 2.295 0.606) 4.017 46.430 ( -2.582 4.121 -6.300) 7.959 98.778 ( -0.841 0.081 2.454) 2.595 98.844 ( -0.386 0.235 0.998) 1.096 99.278 ( -0.260 0.261 0.366) 0.520 99.350 ( -0.443 0.450 -0.419) 0.758 99.646 ( 1.229 -0.964 0.513) 1.644 100.019 ( -10.271 5.730 -9.268) 14.974 100.299 ( -1.265 0.331 1.838) 2.256 100.790 ( 17.745 -3.634 0.157) 18.114 ======================= Grid point 113 (50/160) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 4.158 -0.000 16.879) 17.383 1.233 ( 10.595 -0.000 3.802) 11.256 1.597 ( -3.793 0.000 0.763) 3.869 1.658 ( 4.729 -0.000 0.851) 4.805 1.879 ( 4.222 -0.000 -0.807) 4.299 1.945 ( 1.724 -0.000 -2.693) 3.197 2.009 ( 1.652 -0.000 0.515) 1.730 2.091 ( -0.535 0.000 -2.974) 3.022 2.228 ( 4.706 -0.000 -2.390) 5.278 2.417 ( -5.087 0.000 -3.449) 6.146 2.477 ( 7.387 -0.000 4.305) 8.550 2.594 ( 7.492 -0.000 1.684) 7.679 2.703 ( 0.151 -0.000 -0.738) 0.753 2.723 ( 2.737 -0.000 -5.412) 6.064 2.871 ( 5.064 -0.000 0.493) 5.088 2.915 ( 1.373 -0.000 -0.528) 1.471 3.175 ( -1.293 0.000 7.802) 7.908 3.472 ( 4.886 -0.000 -4.634) 6.734 4.870 ( -1.247 0.000 1.257) 1.770 5.009 ( 0.098 -0.000 -0.093) 0.135 5.561 ( -2.066 0.000 2.408) 3.173 5.781 ( 3.679 -0.000 -1.553) 3.993 5.853 ( -2.530 0.000 3.097) 3.999 6.074 ( -4.953 0.000 -2.980) 5.780 6.172 ( -2.970 0.000 -0.645) 3.039 6.227 ( -2.041 0.000 -1.091) 2.315 7.601 ( -1.644 0.000 2.404) 2.912 7.715 ( 0.609 -0.000 -1.390) 1.518 8.489 ( -0.877 0.000 0.073) 0.880 8.639 ( 0.638 -0.000 -0.813) 1.034 13.807 ( -3.830 0.000 6.631) 7.658 13.919 ( 2.419 -0.000 1.963) 3.115 14.625 ( -15.360 0.000 -7.028) 16.891 14.647 ( -14.891 0.000 -0.890) 14.917 17.838 ( -1.529 0.000 4.785) 5.023 18.194 ( -6.337 0.000 10.967) 12.666 18.700 ( -0.937 0.000 0.384) 1.013 20.053 ( -1.174 0.000 -3.253) 3.459 20.269 ( 2.466 -0.000 -0.143) 2.470 20.597 ( -0.202 0.000 -4.251) 4.256 21.980 ( -3.332 0.000 5.880) 6.758 22.913 ( 3.699 -0.000 -4.591) 5.896 45.662 ( 1.588 -0.000 0.960) 1.856 45.830 ( 0.499 -0.000 0.984) 1.104 46.305 ( 4.585 -0.000 -0.599) 4.624 46.525 ( 6.178 -0.000 -0.446) 6.194 98.755 ( -0.133 0.000 1.157) 1.165 98.904 ( 0.523 -0.000 2.267) 2.326 99.299 ( -0.554 0.000 0.291) 0.626 99.355 ( 0.240 -0.000 0.715) 0.754 99.721 ( 0.544 -0.000 -1.213) 1.330 99.906 ( 6.242 -0.000 -0.926) 6.311 100.240 ( 0.859 -0.000 1.204) 1.479 101.112 ( -3.106 0.000 -9.088) 9.604 ======================= Grid point 114 (51/160) ======================= q-point: ( 0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 3.662 -2.774 14.804) 15.500 1.362 ( 6.980 -1.065 3.804) 8.020 1.571 ( -3.767 -1.147 1.886) 4.366 1.739 ( 3.217 -4.264 1.346) 5.509 1.874 ( 2.291 3.884 -0.642) 4.555 1.919 ( 1.508 3.239 -2.561) 4.396 2.017 ( -1.203 0.080 -0.838) 1.468 2.090 ( 3.577 -0.395 -0.432) 3.624 2.298 ( 3.367 -3.611 -2.670) 5.613 2.360 ( -4.563 -0.698 -3.107) 5.564 2.539 ( 3.972 1.937 0.425) 4.440 2.641 ( 5.982 3.755 0.282) 7.069 2.689 ( 1.735 1.978 0.827) 2.758 2.724 ( 1.567 0.254 -4.315) 4.597 2.861 ( 2.465 3.496 1.072) 4.410 2.981 ( 1.110 -3.427 -0.305) 3.615 3.159 ( -2.407 3.644 5.024) 6.657 3.487 ( 3.942 1.788 -3.558) 5.603 4.869 ( -0.484 -0.452 0.837) 1.068 5.003 ( -0.104 0.565 -0.519) 0.774 5.546 ( -1.910 0.701 2.562) 3.272 5.797 ( 3.317 1.466 0.222) 3.634 5.865 ( -0.367 -1.811 0.579) 1.937 6.009 ( -3.085 0.827 -1.955) 3.745 6.145 ( -4.549 -2.042 -0.230) 4.991 6.218 ( -0.669 -1.357 -1.944) 2.463 7.599 ( -1.721 -0.540 2.287) 2.912 7.710 ( 0.635 0.488 -1.464) 1.669 8.486 ( -0.631 -0.635 0.354) 0.963 8.645 ( 0.535 -0.245 -0.416) 0.721 13.769 ( -2.264 3.537 5.514) 6.931 13.973 ( 4.817 -0.657 2.164) 5.321 14.377 ( -12.651 2.951 -2.898) 13.310 14.646 ( -12.216 -13.029 -3.125) 18.132 17.841 ( -1.648 0.216 4.734) 5.017 18.184 ( -4.977 -0.286 10.298) 11.441 18.682 ( -1.155 0.372 -1.492) 1.923 20.018 ( -0.638 0.463 -5.281) 5.339 20.295 ( 1.683 0.080 1.202) 2.070 20.583 ( 0.759 -0.124 -3.004) 3.100 21.966 ( -2.897 0.618 5.036) 5.843 22.919 ( 3.028 0.875 -5.243) 6.117 45.683 ( 1.240 -0.344 0.551) 1.399 45.828 ( 0.268 1.041 0.187) 1.091 46.343 ( 3.088 0.460 -0.049) 3.123 46.579 ( 4.172 0.069 -0.472) 4.199 98.761 ( -0.121 -0.219 1.053) 1.082 98.913 ( 0.066 0.548 1.528) 1.625 99.290 ( -0.394 0.415 0.240) 0.620 99.361 ( -0.211 -0.316 0.423) 0.568 99.685 ( 0.941 3.635 -0.941) 3.871 100.012 ( 4.946 -5.183 -1.486) 7.317 100.261 ( 0.590 -0.506 2.174) 2.309 101.015 ( -2.076 3.836 -7.205) 8.422 ======================= Grid point 115 (52/160) ======================= q-point: ( 0.56 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -0.375 -5.520 13.355) 14.456 1.423 ( 2.508 1.734 2.785) 4.129 1.569 ( -3.003 -1.928 2.901) 4.599 1.783 ( -0.673 6.152 0.771) 6.236 1.853 ( 2.672 -0.690 -2.683) 3.849 1.924 ( 3.323 -4.228 0.469) 5.398 2.012 ( 0.202 -0.711 0.266) 0.785 2.136 ( 1.525 -1.617 -1.558) 2.714 2.263 ( -1.775 5.975 -5.457) 8.284 2.364 ( 1.234 -0.834 -0.750) 1.667 2.524 ( 1.555 2.255 -0.932) 2.894 2.614 ( 3.559 5.463 -0.331) 6.528 2.692 ( 2.426 1.326 2.291) 3.590 2.716 ( 1.715 0.728 -2.992) 3.525 2.839 ( 0.025 1.737 1.935) 2.600 2.995 ( -2.874 2.283 -2.445) 4.410 3.071 ( -2.076 4.528 4.879) 6.972 3.472 ( 2.305 1.826 -3.425) 4.514 4.881 ( -0.094 -0.902 0.724) 1.161 4.984 ( -0.345 0.994 -0.882) 1.373 5.527 ( -1.583 0.640 2.656) 3.157 5.820 ( 1.311 -0.435 1.333) 1.920 5.893 ( 2.374 -0.485 -1.594) 2.900 5.981 ( -0.683 -0.730 -0.152) 1.011 6.137 ( -3.657 -2.724 -0.840) 4.637 6.229 ( -0.130 -1.582 -2.223) 2.731 7.601 ( -1.781 -0.782 2.044) 2.822 7.702 ( 0.830 0.613 -1.366) 1.712 8.500 ( -0.207 -1.313 0.571) 1.447 8.651 ( 0.388 -0.065 -0.013) 0.394 13.725 ( -0.317 2.368 3.489) 4.229 14.054 ( 5.916 -0.968 0.437) 6.010 14.254 ( -8.295 -2.473 0.560) 8.674 14.749 ( -7.571 -14.258 -2.376) 16.317 17.840 ( -1.901 0.327 4.973) 5.334 18.191 ( -4.221 -0.599 10.656) 11.477 18.653 ( -0.892 0.514 -3.066) 3.235 19.982 ( 0.652 0.374 -6.799) 6.840 20.310 ( 1.109 0.789 1.765) 2.229 20.592 ( 1.756 -0.780 -2.163) 2.893 21.949 ( -2.585 0.483 4.181) 4.939 22.901 ( 2.352 1.717 -5.839) 6.525 45.704 ( 0.706 -0.700 0.212) 1.016 45.806 ( -0.026 1.777 -0.427) 1.828 46.351 ( 1.556 1.717 0.615) 2.398 46.601 ( 1.492 0.684 -0.717) 1.791 98.768 ( -0.211 -0.271 1.122) 1.174 98.901 ( -0.436 1.085 0.552) 1.293 99.285 ( 0.032 0.226 0.382) 0.444 99.363 ( -0.487 -0.287 0.049) 0.567 99.639 ( 0.943 2.881 -0.063) 3.032 100.132 ( 2.493 -5.701 -3.432) 7.106 100.286 ( -0.012 -0.662 2.989) 3.062 100.890 ( 0.271 6.752 -4.808) 8.294 ======================= Grid point 116 (53/160) ======================= q-point: (-0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -2.260 3.730 1.793) 4.715 1.492 ( -7.539 -5.610 9.044) 13.042 1.612 ( 0.980 -0.561 5.978) 6.084 1.645 ( -0.302 7.871 0.992) 7.939 1.876 ( 2.434 -0.391 -3.282) 4.105 1.958 ( -10.026 2.048 -6.680) 12.221 2.042 ( 0.320 -1.111 0.597) 1.302 2.099 ( 0.551 0.458 -0.723) 1.018 2.202 ( 8.782 3.545 -0.025) 9.471 2.349 ( -0.617 3.322 0.803) 3.473 2.484 ( -0.667 2.434 -0.485) 2.570 2.551 ( 3.598 7.030 0.300) 7.902 2.715 ( 2.044 0.655 -0.508) 2.205 2.730 ( 0.703 -2.316 1.540) 2.869 2.817 ( -1.721 1.400 -0.190) 2.227 2.849 ( -2.711 7.747 0.707) 8.238 3.039 ( 1.313 2.086 2.007) 3.178 3.457 ( -0.843 -1.117 -4.126) 4.356 4.900 ( -0.123 -1.053 0.901) 1.391 4.960 ( -0.310 0.950 -0.980) 1.399 5.522 ( -0.954 -0.295 2.670) 2.850 5.836 ( -1.526 -0.935 0.962) 2.032 5.904 ( 1.670 1.215 -1.858) 2.778 6.024 ( 1.449 -3.813 1.333) 4.292 6.152 ( -0.068 -2.402 -1.203) 2.687 6.240 ( 0.259 -1.110 -2.899) 3.115 7.603 ( -1.583 -0.694 1.654) 2.393 7.698 ( 0.891 0.351 -0.962) 1.357 8.527 ( 0.155 -1.701 0.574) 1.802 8.653 ( 0.277 0.447 0.202) 0.563 13.716 ( -1.131 -0.047 2.670) 2.900 14.118 ( 4.805 -0.550 -2.747) 5.562 14.280 ( -4.708 -7.142 5.007) 9.912 14.911 ( 0.235 -12.625 -2.968) 12.971 17.838 ( -2.112 0.152 5.521) 5.913 18.209 ( -4.212 -0.762 11.844) 12.594 18.623 ( -0.229 0.405 -3.760) 3.789 19.960 ( 1.882 -0.062 -7.287) 7.527 20.311 ( 1.233 1.614 1.740) 2.675 20.620 ( 1.949 -1.257 -2.200) 3.197 21.936 ( -2.630 -0.210 3.584) 4.450 22.866 ( 2.062 1.996 -6.120) 6.759 45.721 ( -0.052 -0.882 0.108) 0.890 45.771 ( -0.353 1.935 -0.469) 2.022 46.334 ( 1.161 2.618 1.332) 3.159 46.581 ( -0.909 1.503 -1.670) 2.423 98.775 ( -0.346 -0.193 1.319) 1.377 98.880 ( -0.449 1.057 0.084) 1.151 99.285 ( 0.056 0.168 0.585) 0.612 99.361 ( -0.539 -0.201 -0.364) 0.681 99.616 ( 0.885 1.305 0.855) 1.794 100.190 ( -2.597 -3.786 -6.630) 8.065 100.306 ( -0.835 -0.472 2.950) 3.102 100.787 ( 5.513 7.178 -1.557) 9.184 ======================= Grid point 117 (54/160) ======================= q-point: (-0.22 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -5.200 7.339 -1.396) 9.102 1.418 ( -4.665 9.528 5.259) 11.841 1.562 ( -3.961 -3.046 2.581) 5.625 1.695 ( -5.351 2.791 1.923) 6.334 1.729 ( -3.377 2.110 1.592) 4.288 1.868 ( 0.214 1.359 -4.762) 4.957 2.053 ( 0.900 0.300 -0.342) 1.009 2.087 ( -6.003 1.587 2.536) 6.707 2.220 ( 7.112 5.643 -0.739) 9.109 2.287 ( -0.639 2.752 1.857) 3.381 2.468 ( 1.081 0.893 2.567) 2.925 2.497 ( 5.420 4.664 0.411) 7.163 2.645 ( -5.187 3.458 -2.397) 6.679 2.761 ( -0.553 1.098 -1.578) 2.001 2.792 ( 3.883 3.494 2.686) 5.874 2.804 ( 4.456 -1.215 2.038) 5.048 3.052 ( 3.615 0.686 0.846) 3.776 3.444 ( -5.310 -3.937 -5.261) 8.448 4.916 ( -0.637 -0.558 1.292) 1.544 4.945 ( 0.147 0.120 -0.728) 0.752 5.538 ( -0.646 -1.118 2.336) 2.669 5.818 ( -3.486 0.486 0.094) 3.521 5.889 ( -0.012 0.254 -0.523) 0.582 6.126 ( 2.067 -4.978 1.544) 5.606 6.190 ( 1.800 -1.226 -0.908) 2.360 6.248 ( 1.327 -1.090 -3.902) 4.264 7.607 ( -0.977 -0.664 1.425) 1.851 7.699 ( 0.541 0.228 -0.533) 0.793 8.558 ( 0.354 -1.547 0.196) 1.599 8.644 ( 0.081 1.039 0.207) 1.063 13.717 ( -3.567 -1.676 2.271) 4.549 14.134 ( 0.423 0.706 -3.597) 3.690 14.410 ( -2.062 -10.022 6.357) 12.046 15.120 ( 7.595 -9.501 -3.509) 12.659 17.841 ( -2.380 -0.079 5.978) 6.435 18.231 ( -5.109 -0.827 13.501) 14.459 18.605 ( 0.671 -0.017 -3.155) 3.226 19.958 ( 2.594 -0.629 -6.821) 7.325 20.303 ( 1.854 2.189 1.210) 3.114 20.645 ( 1.251 -1.143 -3.137) 3.565 21.933 ( -2.925 -1.108 3.401) 4.620 22.832 ( 2.266 1.519 -5.856) 6.460 45.723 ( -0.416 1.165 0.483) 1.328 45.743 ( -1.201 -0.383 -0.220) 1.280 46.313 ( 2.074 2.816 1.836) 3.950 46.523 ( -2.104 2.188 -3.232) 4.434 98.779 ( -0.493 -0.114 1.480) 1.564 98.862 ( -0.322 0.789 0.242) 0.886 99.285 ( -0.078 0.166 0.726) 0.749 99.355 ( -0.425 -0.064 -0.608) 0.744 99.624 ( 1.178 -0.109 1.586) 1.978 100.122 ( -7.814 0.620 -8.600) 11.636 100.309 ( -1.037 0.101 2.475) 2.686 100.788 ( 10.814 3.324 0.014) 11.313 ======================= Grid point 118 (55/160) ======================= q-point: (-0.11 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -3.198 9.901 -1.212) 10.475 1.264 ( -1.042 9.826 7.986) 12.705 1.491 ( -3.502 6.120 0.429) 7.064 1.625 ( -4.928 -5.404 1.439) 7.454 1.767 ( -2.810 -1.170 5.012) 5.864 1.805 ( -0.636 2.421 -4.829) 5.439 1.988 ( -3.968 2.751 3.242) 5.816 2.063 ( 0.967 0.026 -0.679) 1.182 2.184 ( 3.239 4.623 -0.797) 5.701 2.244 ( 3.352 6.086 4.025) 8.030 2.439 ( 1.760 5.271 -1.075) 5.660 2.536 ( 1.295 -2.289 2.085) 3.356 2.587 ( 0.986 -0.071 0.401) 1.067 2.705 ( -0.094 2.859 -2.678) 3.918 2.809 ( 2.231 1.019 1.673) 2.968 2.891 ( 8.530 0.435 2.298) 8.845 3.088 ( 2.904 -0.231 0.069) 2.914 3.416 ( -8.361 -4.930 -6.292) 11.567 4.915 ( -1.104 0.027 1.426) 1.803 4.952 ( 0.242 -0.737 0.017) 0.776 5.559 ( -0.923 -1.232 1.731) 2.316 5.762 ( -3.725 1.093 0.153) 3.885 5.892 ( -0.223 -0.486 0.510) 0.739 6.186 ( -1.186 -1.613 -2.404) 3.129 6.244 ( 1.806 -3.301 0.549) 3.803 6.272 ( 2.825 -0.970 -2.373) 3.815 7.617 ( -0.423 -0.637 1.647) 1.815 7.696 ( 0.120 0.293 -0.511) 0.601 8.579 ( 0.173 -0.385 -0.490) 0.646 8.628 ( 0.114 0.802 0.206) 0.836 13.716 ( -4.925 -2.932 1.706) 5.980 14.077 ( -3.542 1.733 -3.483) 5.261 14.589 ( -1.719 -10.418 6.063) 12.176 15.310 ( 8.157 -4.717 -3.268) 9.973 17.843 ( -2.715 -0.067 5.929) 6.522 18.249 ( -6.784 -1.042 15.117) 16.602 18.611 ( 1.346 -0.599 -1.357) 2.004 19.972 ( 2.783 -1.159 -5.696) 6.445 20.293 ( 2.436 2.349 0.143) 3.387 20.652 ( 0.386 -0.843 -4.444) 4.540 21.940 ( -3.288 -1.794 3.734) 5.289 22.817 ( 2.793 0.594 -5.099) 5.844 45.691 ( -0.728 2.053 1.174) 2.475 45.747 ( -1.533 -1.672 0.002) 2.268 46.308 ( 3.189 2.442 1.604) 4.325 46.443 ( -1.351 3.060 -4.314) 5.459 98.781 ( -0.726 -0.019 1.752) 1.896 98.850 ( -0.181 0.452 0.549) 0.734 99.282 ( -0.284 0.350 0.457) 0.642 99.350 ( -0.045 0.066 -0.294) 0.305 99.652 ( 0.992 -0.476 1.468) 1.835 99.968 ( -6.133 3.200 -6.651) 9.596 100.304 ( -0.933 0.594 1.769) 2.086 100.890 ( 10.747 -1.619 -2.022) 11.055 ======================= Grid point 123 (56/160) ======================= q-point: ( 0.44 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -1.432 0.000 15.896) 15.960 1.438 ( 4.915 -0.000 3.488) 6.026 1.537 ( -2.651 0.000 3.070) 4.056 1.711 ( -1.427 0.000 0.494) 1.510 1.927 ( 3.163 -0.000 -4.651) 5.625 1.956 ( 0.271 -0.000 1.683) 1.704 2.007 ( 0.079 -0.000 -0.587) 0.592 2.098 ( 0.962 -0.000 -2.467) 2.648 2.283 ( 2.390 -0.000 -0.758) 2.507 2.322 ( -0.150 0.000 -0.456) 0.480 2.581 ( 1.885 -0.000 -3.944) 4.371 2.713 ( 0.444 -0.000 1.248) 1.324 2.720 ( 2.059 -0.000 -3.989) 4.490 2.748 ( 3.289 -0.000 2.325) 4.028 2.918 ( -0.355 0.000 -0.170) 0.394 2.959 ( 2.490 -0.000 -0.372) 2.518 3.186 ( -2.453 0.000 2.941) 3.830 3.520 ( 2.537 -0.000 -3.926) 4.674 4.866 ( -0.228 0.000 0.881) 0.910 5.002 ( -0.245 0.000 -1.163) 1.188 5.546 ( -1.642 0.000 2.715) 3.173 5.821 ( -2.476 0.000 1.847) 3.089 5.875 ( 6.359 -0.000 -1.926) 6.645 5.991 ( -0.450 0.000 -0.887) 0.995 6.063 ( -6.557 0.000 0.631) 6.587 6.197 ( 0.653 -0.000 -2.799) 2.874 7.586 ( -1.571 0.000 1.937) 2.494 7.714 ( 0.625 -0.000 -1.425) 1.556 8.479 ( -0.338 0.000 0.794) 0.863 8.647 ( 0.622 -0.000 -0.150) 0.640 13.789 ( -4.114 0.000 5.440) 6.821 14.034 ( 4.439 -0.000 2.961) 5.336 14.341 ( -9.828 0.000 -2.753) 10.206 14.355 ( -3.362 0.000 -3.323) 4.728 17.846 ( -1.768 0.000 4.597) 4.925 18.181 ( -4.091 0.000 10.275) 11.059 18.660 ( -1.316 0.000 -3.273) 3.528 19.987 ( -0.066 0.000 -7.104) 7.104 20.323 ( 1.274 -0.000 2.928) 3.193 20.582 ( 1.459 -0.000 -1.647) 2.200 21.961 ( -3.043 0.000 4.394) 5.345 22.931 ( 2.439 -0.000 -5.879) 6.365 45.692 ( 0.505 -0.000 0.364) 0.623 45.836 ( -0.262 0.000 -0.612) 0.665 46.379 ( 2.167 -0.000 0.877) 2.338 46.612 ( 2.350 -0.000 -0.866) 2.505 98.763 ( -0.128 0.000 1.096) 1.104 98.920 ( -0.652 0.000 0.895) 1.107 99.289 ( -0.343 0.000 0.377) 0.510 99.357 ( -0.334 0.000 0.080) 0.344 99.725 ( 0.786 -0.000 -0.822) 1.138 99.996 ( 2.782 -0.000 -2.344) 3.638 100.273 ( 0.083 -0.000 2.948) 2.949 101.010 ( 0.889 -0.000 -5.696) 5.765 ======================= Grid point 124 (57/160) ======================= q-point: (-0.44 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -8.351 -2.555 12.920) 15.594 1.472 ( -1.213 0.951 3.353) 3.690 1.556 ( 1.232 -1.218 5.654) 5.914 1.729 ( -3.758 -5.550 -1.742) 6.925 1.906 ( -0.730 5.115 1.337) 5.337 1.943 ( 4.677 0.712 -2.909) 5.553 2.016 ( 0.822 0.012 0.892) 1.213 2.093 ( -0.710 -0.313 -3.409) 3.496 2.331 ( 3.522 -0.295 -0.579) 3.582 2.343 ( 1.500 -2.108 0.107) 2.589 2.534 ( -1.840 2.570 -4.437) 5.447 2.707 ( 0.766 1.977 1.451) 2.569 2.716 ( 0.208 0.009 -2.128) 2.138 2.774 ( 1.963 1.054 0.768) 2.357 2.872 ( -0.906 4.066 0.184) 4.170 2.981 ( -1.076 0.036 -0.262) 1.108 3.139 ( -2.103 2.997 1.895) 4.123 3.500 ( 0.560 1.961 -4.680) 5.105 4.873 ( -0.100 -0.504 1.084) 1.200 4.987 ( -0.395 0.556 -1.661) 1.796 5.536 ( -1.273 0.654 2.713) 3.067 5.808 ( -2.034 -0.519 1.077) 2.360 5.928 ( 5.050 0.496 -2.066) 5.478 5.974 ( -1.652 0.620 1.056) 2.056 6.051 ( -0.754 -3.597 -0.219) 3.682 6.202 ( 1.056 -0.960 -2.936) 3.264 7.582 ( -1.404 -0.418 1.562) 2.141 7.712 ( 0.736 0.329 -1.272) 1.507 8.487 ( 0.110 -0.676 1.067) 1.268 8.655 ( 0.559 -0.119 0.157) 0.593 13.750 ( -3.828 1.429 3.504) 5.383 14.082 ( -2.436 -2.804 2.723) 4.606 14.202 ( 2.669 4.502 -1.767) 5.524 14.496 ( 2.975 -12.028 -1.896) 12.535 17.846 ( -1.975 0.207 4.752) 5.150 18.192 ( -3.596 -0.310 11.054) 11.629 18.628 ( -1.016 0.022 -4.656) 4.766 19.957 ( 1.231 -0.113 -8.588) 8.676 20.345 ( 0.774 0.526 3.549) 3.670 20.599 ( 2.325 -0.182 -0.692) 2.432 21.944 ( -2.984 0.355 3.790) 4.836 22.917 ( 1.770 0.935 -6.428) 6.732 45.698 ( -0.291 -0.423 0.232) 0.563 45.819 ( -0.698 0.837 -1.209) 1.627 46.392 ( 0.747 0.948 1.551) 1.965 46.616 ( -0.108 0.606 -1.165) 1.318 98.768 ( -0.245 -0.159 1.310) 1.342 98.907 ( -1.275 0.508 0.032) 1.373 99.290 ( 0.129 0.109 0.592) 0.616 99.353 ( -0.525 -0.168 -0.262) 0.611 99.700 ( 0.795 3.176 0.002) 3.274 100.039 ( -0.401 -4.498 -3.897) 5.965 100.288 ( -0.639 -0.405 3.421) 3.503 100.983 ( 4.337 3.888 -4.050) 7.095 ======================= Grid point 125 (58/160) ======================= q-point: (-0.33 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -11.163 -4.329 9.295) 15.157 1.416 ( -7.042 1.514 1.845) 7.435 1.639 ( 2.243 -2.022 7.427) 8.017 1.730 ( -4.629 0.669 -2.696) 5.398 1.821 ( -2.913 2.989 0.269) 4.182 1.954 ( 3.436 3.241 -2.413) 5.304 2.039 ( 0.430 -0.946 3.010) 3.184 2.074 ( -0.443 -0.893 -2.984) 3.146 2.338 ( 3.842 3.027 -3.949) 6.286 2.377 ( 1.256 0.497 0.607) 1.481 2.467 ( -4.179 -0.141 -1.744) 4.531 2.669 ( -0.269 4.211 0.007) 4.220 2.718 ( -0.658 -0.494 4.001) 4.085 2.737 ( -2.256 3.314 -3.199) 5.128 2.810 ( -1.109 0.377 -1.264) 1.723 2.934 ( 0.036 3.537 2.115) 4.122 3.104 ( 1.066 1.889 2.145) 3.051 3.436 ( -1.087 2.585 -5.419) 6.101 4.888 ( -0.208 -0.832 1.360) 1.608 4.964 ( -0.299 0.743 -1.790) 1.961 5.530 ( -0.494 0.403 2.763) 2.835 5.795 ( -3.214 -0.760 0.431) 3.331 5.919 ( -1.912 0.584 -1.126) 2.294 6.009 ( 4.366 -1.691 1.514) 4.921 6.122 ( 3.383 -2.961 -0.972) 4.599 6.218 ( 1.355 -1.019 -3.230) 3.647 7.583 ( -1.145 -0.640 1.115) 1.721 7.710 ( 0.802 0.372 -0.846) 1.223 8.511 ( 0.486 -1.219 1.115) 1.722 8.662 ( 0.408 0.116 0.305) 0.523 13.708 ( -3.277 0.883 2.694) 4.333 14.108 ( -7.023 -5.358 4.031) 9.710 14.216 ( 9.121 1.859 -2.240) 9.574 14.755 ( 10.067 -12.403 -2.308) 16.140 17.843 ( -2.117 0.209 5.214) 5.632 18.213 ( -3.733 -0.397 12.401) 12.957 18.599 ( -0.353 -0.277 -5.130) 5.149 19.940 ( 2.441 -0.451 -9.181) 9.511 20.355 ( 0.646 1.009 3.185) 3.403 20.626 ( 2.532 -0.089 -0.641) 2.614 21.924 ( -2.827 0.285 3.481) 4.493 22.883 ( 1.420 1.443 -6.699) 6.998 45.701 ( -1.193 -0.782 0.198) 1.440 45.787 ( -0.861 1.304 -1.212) 1.978 46.385 ( 0.282 1.457 2.164) 2.624 46.580 ( -2.338 1.360 -1.833) 3.267 98.774 ( -0.466 -0.173 1.575) 1.652 98.884 ( -1.122 0.500 -0.348) 1.277 99.292 ( 0.063 0.259 0.759) 0.805 99.349 ( -0.507 -0.252 -0.596) 0.822 99.661 ( 0.562 2.548 1.160) 2.856 100.064 ( -3.736 -3.699 -5.966) 7.952 100.302 ( -1.201 -0.480 3.322) 3.564 100.953 ( 7.638 5.660 -2.574) 9.849 ======================= Grid point 126 (59/160) ======================= q-point: (-0.22 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -9.838 2.653 -1.275) 10.269 1.357 ( -10.623 -5.154 8.318) 14.443 1.600 ( -3.205 6.159 -2.130) 7.262 1.714 ( -3.251 4.301 2.575) 5.975 1.727 ( -0.646 -0.358 4.894) 4.949 1.904 ( 1.604 4.401 -3.473) 5.831 2.058 ( -2.254 0.564 4.801) 5.334 2.070 ( -1.054 0.097 -0.879) 1.376 2.300 ( -2.289 1.659 -0.538) 2.878 2.343 ( 2.063 3.907 -2.409) 5.032 2.446 ( -1.813 -2.093 -0.219) 2.778 2.604 ( 0.262 2.193 -1.704) 2.789 2.637 ( -2.569 2.383 -4.151) 5.433 2.738 ( -1.365 -0.709 2.276) 2.747 2.820 ( 0.022 -1.508 1.687) 2.263 2.928 ( 5.278 2.287 2.753) 6.377 3.106 ( 2.121 1.444 1.684) 3.069 3.351 ( -2.871 2.183 -5.438) 6.525 4.904 ( -0.519 -0.780 1.456) 1.732 4.946 ( 0.094 0.360 -1.305) 1.357 5.538 ( 0.086 -0.081 2.626) 2.629 5.765 ( -4.772 -0.715 0.173) 4.829 5.890 ( -0.837 0.351 -0.703) 1.148 6.100 ( 4.280 -2.458 1.351) 5.117 6.188 ( 2.208 -1.561 -1.500) 3.093 6.237 ( 2.834 -1.015 -3.032) 4.273 7.590 ( -0.680 -0.864 0.758) 1.336 7.709 ( 0.578 0.399 -0.235) 0.741 8.543 ( 0.697 -1.365 0.824) 1.740 8.660 ( 0.062 0.717 0.216) 0.751 13.674 ( -3.368 0.321 2.284) 4.082 14.115 ( -5.884 -1.608 2.545) 6.609 14.315 ( 7.625 -3.814 -0.646) 8.551 15.059 ( 13.150 -10.657 -2.746) 17.147 17.842 ( -2.316 0.111 5.587) 6.049 18.234 ( -4.600 -0.149 13.709) 14.461 18.587 ( 0.495 -0.851 -4.361) 4.471 19.939 ( 3.056 -0.856 -8.792) 9.347 20.356 ( 0.788 1.367 2.031) 2.572 20.643 ( 1.884 0.350 -1.569) 2.476 21.910 ( -2.517 -0.134 3.587) 4.384 22.846 ( 1.572 1.188 -6.515) 6.807 45.699 ( -1.972 -1.127 0.068) 2.272 45.752 ( -0.737 1.507 -0.579) 1.775 46.379 ( 1.042 1.582 2.651) 3.259 46.513 ( -3.168 1.621 -2.753) 4.499 98.777 ( -0.753 -0.134 1.482) 1.668 98.867 ( -0.616 0.365 -0.041) 0.717 99.290 ( -0.243 0.228 0.854) 0.917 99.346 ( -0.232 -0.257 -0.669) 0.753 99.649 ( 0.723 0.746 2.154) 2.392 100.016 ( -5.688 -0.510 -6.843) 8.913 100.308 ( -1.206 -0.244 2.675) 2.945 100.948 ( 8.705 4.525 -2.430) 10.107 ======================= Grid point 127 (60/160) ======================= q-point: (-0.11 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -6.331 3.351 -2.117) 7.469 1.362 ( -5.440 -0.396 7.117) 8.967 1.505 ( -3.670 -0.586 0.117) 3.718 1.585 ( -2.023 7.227 4.452) 8.726 1.761 ( -1.339 0.045 4.919) 5.098 1.818 ( -1.237 3.402 -2.938) 4.663 2.003 ( -4.145 3.103 5.611) 7.635 2.066 ( 0.619 -0.107 -1.090) 1.258 2.262 ( 0.080 1.674 0.536) 1.759 2.288 ( -1.260 1.807 -2.710) 3.492 2.481 ( 0.451 -3.240 -1.755) 3.712 2.568 ( -0.025 2.449 -2.464) 3.474 2.610 ( 3.281 -0.286 -1.540) 3.635 2.727 ( -0.183 1.378 -0.674) 1.545 2.842 ( -2.179 -0.889 3.795) 4.465 2.992 ( 6.190 -0.627 2.210) 6.603 3.113 ( 1.424 0.837 0.676) 1.785 3.262 ( -3.838 1.089 -4.991) 6.390 4.912 ( -0.610 -0.162 1.008) 1.189 4.944 ( 0.166 -0.398 -0.208) 0.479 5.553 ( 0.053 -0.138 2.233) 2.238 5.724 ( -4.161 -0.319 0.224) 4.179 5.885 ( -0.035 -0.316 0.013) 0.318 6.161 ( 1.871 -0.285 -2.127) 2.847 6.212 ( 0.737 -1.570 -1.814) 2.510 6.285 ( 3.181 -1.323 -0.167) 3.449 7.604 ( -0.227 -1.118 0.734) 1.357 7.705 ( 0.135 0.646 0.176) 0.683 8.572 ( 0.695 -0.874 0.213) 1.136 8.644 ( -0.300 1.074 0.112) 1.121 13.648 ( -3.220 -0.447 1.608) 3.626 14.063 ( -3.628 1.879 -0.570) 4.125 14.466 ( 2.810 -6.696 2.247) 7.601 15.312 ( 10.085 -6.026 -2.426) 11.996 17.840 ( -2.588 0.084 5.531) 6.107 18.243 ( -5.822 0.142 14.283) 15.425 18.598 ( 1.067 -1.449 -2.550) 3.121 19.951 ( 3.055 -1.319 -7.680) 8.370 20.347 ( 0.816 1.591 0.348) 1.821 20.639 ( 1.114 0.723 -2.960) 3.244 21.909 ( -2.139 -0.626 4.050) 4.623 22.825 ( 2.089 0.290 -5.878) 6.245 45.700 ( -1.760 -1.665 -0.020) 2.423 45.718 ( -0.630 1.627 0.114) 1.749 46.372 ( 0.460 1.971 1.105) 2.305 46.454 ( -0.482 1.162 -1.727) 2.136 98.777 ( -0.830 -0.270 1.252) 1.526 98.857 ( -0.356 0.384 0.357) 0.634 99.287 ( -0.350 0.287 0.544) 0.708 99.348 ( 0.178 -0.290 -0.109) 0.357 99.663 ( 0.320 0.034 1.874) 1.901 99.926 ( -3.140 0.998 -4.819) 5.838 100.309 ( -0.927 0.119 1.854) 2.076 100.965 ( 6.251 1.676 -4.040) 7.629 ======================= Grid point 133 (61/160) ======================= q-point: (-0.44 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -12.835 0.000 12.012) 17.579 1.430 ( -10.572 0.000 1.366) 10.660 1.591 ( 1.858 -0.000 7.087) 7.326 1.656 ( 0.042 -0.000 0.170) 0.175 1.934 ( -0.516 0.000 -1.075) 1.193 2.001 ( 3.231 -0.000 0.998) 3.381 2.018 ( 0.579 -0.000 -1.232) 1.362 2.097 ( 1.551 -0.000 -0.661) 1.687 2.305 ( -0.390 0.000 -0.586) 0.704 2.386 ( 4.207 -0.000 1.193) 4.373 2.492 ( -5.993 0.000 -6.501) 8.842 2.700 ( -1.947 0.000 -0.336) 1.976 2.735 ( 0.617 -0.000 1.855) 1.955 2.768 ( -1.086 0.000 -2.934) 3.129 2.934 ( 0.683 -0.000 2.374) 2.470 2.959 ( -2.337 0.000 -0.119) 2.340 3.128 ( -4.021 0.000 0.245) 4.029 3.495 ( -0.233 0.000 -5.876) 5.880 4.874 ( -0.148 0.000 1.704) 1.710 4.978 ( -0.401 0.000 -2.270) 2.305 5.541 ( -0.983 0.000 2.490) 2.677 5.789 ( -1.298 0.000 0.339) 1.341 5.915 ( -5.377 0.000 -0.129) 5.379 6.012 ( 5.953 -0.000 -1.770) 6.211 6.044 ( 4.628 -0.000 1.584) 4.892 6.196 ( 1.643 -0.000 -2.875) 3.311 7.573 ( -1.012 0.000 1.190) 1.562 7.717 ( 0.716 -0.000 -1.165) 1.367 8.490 ( 0.442 -0.000 1.334) 1.406 8.661 ( 0.515 -0.000 0.327) 0.610 13.735 ( -3.173 0.000 2.981) 4.353 14.001 ( -6.585 0.000 1.423) 6.737 14.357 ( 10.687 -0.000 -1.992) 10.871 14.437 ( 10.797 -0.000 0.190) 10.799 17.848 ( -2.076 0.000 4.904) 5.325 18.207 ( -3.277 0.000 12.351) 12.779 18.594 ( -0.742 0.000 -5.848) 5.895 19.932 ( 2.440 -0.000 -10.067) 10.359 20.371 ( -0.108 0.000 4.112) 4.113 20.627 ( 3.174 -0.000 0.423) 3.202 21.932 ( -2.922 0.000 3.596) 4.633 22.909 ( 1.095 -0.000 -6.916) 7.003 45.688 ( -1.111 0.000 0.373) 1.172 45.809 ( -1.108 0.000 -1.745) 2.067 46.406 ( -1.078 0.000 2.023) 2.292 46.603 ( -2.235 0.000 -1.393) 2.633 98.770 ( -0.334 0.000 1.731) 1.763 98.892 ( -1.894 0.000 -0.574) 1.979 99.297 ( 0.404 -0.000 0.783) 0.881 99.344 ( -0.653 0.000 -0.519) 0.834 99.737 ( 0.579 -0.000 -0.047) 0.580 99.966 ( -2.527 0.000 -3.713) 4.492 100.291 ( -1.194 0.000 3.729) 3.916 101.058 ( 7.185 -0.000 -4.047) 8.246 ======================= Grid point 134 (62/160) ======================= q-point: (-0.33 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -14.367 -2.780 10.883) 18.237 1.304 ( -14.568 -1.514 -0.521) 14.656 1.646 ( -0.446 -0.586 4.751) 4.808 1.682 ( 0.750 -1.472 3.061) 3.478 1.882 ( -2.245 3.969 -0.113) 4.562 2.027 ( -0.003 -1.409 -0.808) 1.624 2.034 ( 3.676 1.343 1.364) 4.144 2.085 ( 1.133 2.854 0.312) 3.087 2.302 ( -4.686 -2.106 -4.339) 6.724 2.387 ( -6.125 -0.734 -3.330) 7.011 2.432 ( 3.659 0.793 -0.194) 3.749 2.663 ( -4.963 0.476 1.492) 5.205 2.739 ( -0.207 0.717 -1.855) 2.000 2.748 ( -0.229 0.958 0.013) 0.985 2.823 ( -4.420 6.522 -0.765) 7.916 2.978 ( -0.019 -0.110 3.100) 3.102 3.104 ( -2.586 -1.789 0.794) 3.244 3.447 ( 0.296 1.989 -6.658) 6.955 4.884 ( -0.299 -0.339 2.382) 2.425 4.960 ( -0.195 0.356 -2.475) 2.508 5.543 ( -0.282 0.171 2.404) 2.427 5.768 ( -1.991 1.017 -0.006) 2.236 5.874 ( -3.632 -1.326 -0.213) 3.872 6.069 ( 6.765 -0.092 -0.712) 6.803 6.122 ( 4.583 -1.595 0.622) 4.893 6.209 ( 2.246 -0.710 -2.778) 3.642 7.571 ( -0.631 -0.282 0.811) 1.066 7.718 ( 0.659 0.153 -0.833) 1.073 8.508 ( 0.666 -0.666 1.373) 1.665 8.668 ( 0.311 -0.041 0.362) 0.479 13.715 ( -1.103 1.453 2.983) 3.496 13.980 ( -4.528 -3.428 2.912) 6.383 14.391 ( 12.372 5.851 -2.499) 13.913 14.695 ( 14.438 -10.715 -1.468) 18.039 17.848 ( -2.128 0.152 5.395) 5.801 18.233 ( -3.441 0.031 14.399) 14.804 18.564 ( -0.152 -0.450 -6.185) 6.203 19.919 ( 3.497 -0.367 -10.747) 11.308 20.380 ( -0.886 0.291 3.560) 3.680 20.663 ( 3.497 0.562 0.635) 3.598 21.917 ( -2.431 0.299 3.721) 4.455 22.879 ( 0.697 0.663 -7.141) 7.206 45.677 ( -1.834 -0.270 0.613) 1.952 45.784 ( -1.071 0.478 -1.717) 2.079 46.397 ( -2.144 -0.132 2.335) 3.173 46.554 ( -4.195 0.829 -1.790) 4.636 98.776 ( -0.528 0.025 2.228) 2.290 98.869 ( -1.636 -0.125 -0.709) 1.787 99.301 ( 0.095 0.389 0.831) 0.922 99.336 ( -0.579 -0.289 -0.697) 0.951 99.713 ( -0.023 2.783 0.688) 2.867 99.945 ( -3.889 -3.065 -4.491) 6.685 100.297 ( -1.412 -0.288 3.734) 4.002 101.097 ( 8.732 3.340 -4.509) 10.379 ======================= Grid point 135 (63/160) ======================= q-point: (-0.22 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -14.433 -3.113 0.876) 14.791 1.193 ( -13.695 -4.484 7.410) 16.204 1.611 ( -3.837 2.740 0.275) 4.723 1.738 ( 0.234 -1.324 5.217) 5.388 1.785 ( -1.947 4.788 0.557) 5.199 1.990 ( -0.922 5.480 -1.073) 5.659 2.048 ( -0.278 -1.251 -0.465) 1.364 2.075 ( -1.104 0.775 4.251) 4.460 2.262 ( -3.700 -2.883 -3.839) 6.061 2.341 ( -5.536 -1.182 -0.337) 5.671 2.410 ( -1.706 4.140 -1.966) 4.890 2.602 ( -4.042 0.901 -2.153) 4.667 2.623 ( -1.581 3.067 -1.353) 3.706 2.747 ( -0.610 0.722 3.720) 3.839 2.777 ( -1.136 -1.615 -2.519) 3.201 2.993 ( 1.046 0.268 2.440) 2.668 3.118 ( -1.706 -1.470 0.566) 2.322 3.390 ( 2.775 3.472 -4.835) 6.567 4.897 ( -0.555 -0.386 2.607) 2.694 4.945 ( 0.233 0.210 -1.965) 1.989 5.553 ( 0.366 0.012 2.432) 2.459 5.722 ( -2.911 0.944 0.133) 3.063 5.869 ( -1.177 -1.161 -0.676) 1.786 6.146 ( 6.440 -0.504 -0.588) 6.486 6.178 ( 1.989 -0.905 -0.849) 2.345 6.245 ( 3.659 -1.116 -1.631) 4.158 7.576 ( -0.235 -0.555 0.451) 0.753 7.719 ( 0.439 0.210 -0.198) 0.525 8.536 ( 0.748 -1.106 1.161) 1.769 8.669 ( -0.106 0.337 0.172) 0.393 13.690 ( -0.036 2.553 2.720) 3.731 14.021 ( -3.162 -3.847 4.582) 6.767 14.425 ( 11.652 4.003 -3.951) 12.939 15.024 ( 14.766 -11.049 -2.506) 18.612 17.847 ( -2.278 0.283 5.773) 6.212 18.258 ( -4.322 0.698 16.172) 16.754 18.552 ( 0.593 -1.240 -5.371) 5.544 19.918 ( 3.908 -0.732 -10.420) 11.153 20.376 ( -1.441 0.360 2.134) 2.600 20.682 ( 2.978 1.630 -0.202) 3.401 21.908 ( -1.549 0.353 4.191) 4.482 22.843 ( 0.808 0.682 -6.991) 7.071 45.663 ( -2.359 -0.515 0.497) 2.465 45.759 ( -0.527 0.744 -1.011) 1.361 46.398 ( -1.234 -0.916 2.812) 3.205 46.478 ( -5.020 0.955 -2.382) 5.638 98.775 ( -0.943 0.234 1.900) 2.134 98.859 ( -0.797 -0.387 0.087) 0.890 99.295 ( -0.501 0.419 0.774) 1.013 99.336 ( -0.138 -0.462 -0.505) 0.699 99.680 ( -0.136 1.524 1.773) 2.342 99.919 ( -4.091 -1.755 -5.111) 6.778 100.303 ( -1.318 -0.237 3.169) 3.440 101.093 ( 7.485 5.150 -5.634) 10.690 ======================= Grid point 136 (64/160) ======================= q-point: (-0.11 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -9.875 -2.861 -3.186) 10.763 1.225 ( -9.806 -8.352 10.541) 16.644 1.518 ( -3.010 3.308 1.028) 4.589 1.690 ( -1.745 5.528 2.880) 6.473 1.770 ( -0.730 -0.120 2.857) 2.952 1.875 ( -2.296 5.434 1.200) 6.020 2.048 ( -1.683 2.303 4.156) 5.041 2.057 ( -1.614 -0.161 0.698) 1.766 2.222 ( -5.118 -0.473 -3.423) 6.175 2.318 ( -1.570 1.549 0.929) 2.393 2.360 ( -2.736 -6.950 -2.583) 7.903 2.537 ( -3.329 0.300 -5.318) 6.281 2.626 ( 2.807 -0.439 -0.548) 2.894 2.744 ( -0.096 0.697 1.329) 1.504 2.774 ( -3.387 -1.829 -0.496) 3.881 3.009 ( -1.187 -1.149 0.430) 1.707 3.105 ( -2.339 -0.372 -1.592) 2.854 3.360 ( 6.988 5.457 -0.352) 8.873 4.907 ( -0.578 -0.283 1.942) 2.046 4.941 ( 0.340 -0.107 -0.793) 0.870 5.569 ( 0.415 0.173 2.471) 2.512 5.687 ( -1.791 0.181 0.089) 1.802 5.876 ( -0.091 -0.827 -0.327) 0.894 6.188 ( 2.746 0.389 -4.364) 5.170 6.202 ( 2.410 0.254 0.041) 2.424 6.297 ( 2.935 -1.011 0.352) 3.124 7.588 ( 0.076 -0.938 0.294) 0.986 7.717 ( 0.034 0.488 0.459) 0.671 8.567 ( 0.719 -1.103 0.711) 1.496 8.655 ( -0.590 0.913 -0.056) 1.089 13.661 ( 0.618 2.732 1.916) 3.394 14.050 ( -1.236 -0.243 2.717) 2.995 14.477 ( 7.404 0.750 -2.034) 7.715 15.301 ( 9.856 -7.547 -2.348) 12.634 17.843 ( -2.515 0.381 5.735) 6.274 18.263 ( -5.639 1.417 16.221) 17.231 18.567 ( 1.067 -1.979 -3.638) 4.277 19.929 ( 3.730 -1.084 -9.203) 9.989 20.358 ( -1.893 0.404 0.230) 1.949 20.673 ( 2.308 2.351 -1.632) 3.677 21.912 ( -0.670 0.314 4.770) 4.827 22.817 ( 1.347 0.009 -6.476) 6.615 45.655 ( -1.813 -1.398 0.168) 2.295 45.738 ( -0.019 1.264 -0.324) 1.305 46.381 ( -3.663 1.315 -1.148) 4.058 46.449 ( 0.195 -1.883 1.551) 2.447 98.770 ( -0.930 -0.081 1.157) 1.487 98.858 ( -0.537 0.070 0.741) 0.918 99.289 ( -0.462 0.177 0.611) 0.787 99.343 ( 0.246 -0.567 0.115) 0.628 99.675 ( -0.434 0.471 1.463) 1.597 99.886 ( -0.852 -1.163 -3.149) 3.463 100.306 ( -1.068 -0.155 2.341) 2.577 101.039 ( 2.821 4.679 -7.196) 9.036 ======================= Grid point 143 (65/160) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -16.565 0.000 13.100) 21.119 1.102 ( -17.546 0.000 -2.198) 17.683 1.669 ( -1.874 0.000 2.618) 3.220 1.689 ( 0.953 -0.000 6.081) 6.155 1.864 ( -6.330 0.000 -3.230) 7.107 2.010 ( -0.048 0.000 -0.433) 0.435 2.082 ( -0.091 0.000 4.382) 4.382 2.134 ( 1.458 -0.000 -0.724) 1.628 2.156 ( -11.030 0.000 -6.403) 12.754 2.321 ( -1.829 0.000 -0.887) 2.032 2.484 ( 4.792 -0.000 -1.185) 4.937 2.618 ( -6.063 0.000 3.424) 6.963 2.715 ( -0.172 0.000 -6.293) 6.295 2.770 ( -0.134 0.000 3.057) 3.059 2.871 ( -5.812 0.000 1.486) 5.999 2.942 ( -1.153 0.000 0.858) 1.437 3.045 ( -4.538 0.000 2.384) 5.126 3.432 ( 1.135 -0.000 -8.879) 8.951 4.893 ( -0.328 0.000 3.918) 3.931 4.950 ( 0.110 -0.000 -2.834) 2.836 5.553 ( 0.116 -0.000 2.024) 2.027 5.776 ( 0.141 -0.000 -0.504) 0.524 5.817 ( -3.254 0.000 0.179) 3.259 6.115 ( 5.074 -0.000 -2.645) 5.722 6.186 ( 6.278 -0.000 2.270) 6.676 6.216 ( 2.614 -0.000 -2.343) 3.511 7.568 ( -0.182 0.000 0.619) 0.645 7.721 ( 0.443 -0.000 -0.738) 0.860 8.516 ( 0.668 -0.000 1.350) 1.506 8.671 ( 0.072 -0.000 0.320) 0.328 13.749 ( 1.547 -0.000 3.702) 4.013 13.943 ( -0.177 0.000 3.556) 3.561 14.587 ( 12.177 -0.000 -4.168) 12.870 14.740 ( 17.092 -0.000 -2.350) 17.252 17.853 ( -2.135 0.000 5.986) 6.355 18.274 ( -3.227 0.000 18.252) 18.536 18.530 ( 0.327 -0.000 -6.523) 6.531 19.906 ( 4.329 -0.000 -11.541) 12.326 20.380 ( -2.350 0.000 3.049) 3.850 20.715 ( 4.048 -0.000 1.044) 4.180 21.916 ( -1.601 0.000 4.176) 4.472 22.856 ( 0.241 -0.000 -7.277) 7.281 45.660 ( -2.026 0.000 1.508) 2.526 45.767 ( -0.950 0.000 -1.852) 2.081 46.365 ( -4.552 0.000 2.141) 5.031 46.499 ( -5.816 0.000 -1.855) 6.105 98.784 ( -0.446 0.000 3.449) 3.478 98.845 ( -1.558 0.000 -0.853) 1.777 99.311 ( -0.021 0.000 0.868) 0.868 99.321 ( -0.843 0.000 -0.818) 1.175 99.738 ( -0.650 0.000 0.014) 0.650 99.854 ( -4.151 0.000 -3.480) 5.416 100.299 ( -1.255 0.000 4.079) 4.268 101.196 ( 9.403 -0.000 -7.198) 11.841 ======================= Grid point 144 (66/160) ======================= q-point: (-0.22 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -17.534 -1.964 -0.125) 17.644 0.986 ( -16.423 -5.858 11.542) 20.911 1.622 ( -4.449 2.806 1.862) 5.580 1.728 ( -6.561 -1.578 1.660) 6.949 1.739 ( -7.797 -2.261 -4.526) 9.295 1.991 ( -7.668 2.708 2.826) 8.609 2.021 ( -0.294 -1.013 0.100) 1.059 2.103 ( -0.574 1.078 1.804) 2.178 2.153 ( -2.209 -2.390 -2.854) 4.328 2.312 ( 1.436 0.804 0.385) 1.690 2.491 ( 1.289 5.912 -0.861) 6.112 2.572 ( -4.566 0.804 2.807) 5.419 2.649 ( -2.658 2.863 -2.699) 4.748 2.748 ( -1.025 2.354 -2.665) 3.700 2.767 ( -1.740 0.828 3.109) 3.658 2.985 ( -2.145 -1.455 1.890) 3.207 3.041 ( -4.002 -4.032 0.789) 5.736 3.418 ( 3.491 -1.161 -8.098) 8.895 4.909 ( -0.380 0.328 5.134) 5.159 4.940 ( 0.577 0.005 -2.472) 2.538 5.567 ( 0.542 -0.175 1.930) 2.012 5.737 ( -0.517 2.760 0.153) 2.813 5.828 ( -0.638 -2.256 -0.564) 2.412 6.162 ( 3.577 -1.125 -3.019) 4.814 6.227 ( 3.846 0.836 -0.839) 4.024 6.270 ( 5.107 -0.850 0.858) 5.248 7.572 ( 0.158 -0.171 0.414) 0.475 7.722 ( 0.169 -0.048 -0.317) 0.362 8.534 ( 0.564 -0.680 1.138) 1.441 8.671 ( -0.300 0.131 0.088) 0.339 13.768 ( 2.793 2.790 3.617) 5.355 13.994 ( 2.312 -1.797 5.134) 5.910 14.618 ( 11.602 6.458 -5.440) 14.349 15.004 ( 15.637 -9.238 -4.390) 18.685 17.856 ( -2.303 0.312 6.452) 6.857 18.322 ( -3.507 1.737 22.619) 22.955 18.516 ( 0.971 -0.968 -5.809) 5.969 19.904 ( 4.490 -0.431 -11.321) 12.187 20.361 ( -3.253 -0.027 1.936) 3.786 20.747 ( 3.631 1.721 0.294) 4.029 21.924 ( -0.466 0.195 4.798) 4.825 22.823 ( 0.309 0.204 -7.058) 7.068 45.642 ( -2.205 0.460 1.926) 2.963 45.755 ( -0.064 -0.205 -1.175) 1.194 46.346 ( -4.358 -3.066 2.223) 5.774 46.418 ( -6.482 0.556 -2.066) 6.826 98.786 ( -0.829 1.065 3.058) 3.343 98.841 ( -0.602 -1.107 0.822) 1.504 99.299 ( -0.803 0.590 0.282) 1.035 99.323 ( -0.337 -0.737 -0.043) 0.812 99.706 ( -1.168 1.767 0.519) 2.180 99.825 ( -3.337 -2.582 -3.569) 5.526 100.305 ( -1.003 0.088 3.862) 3.991 101.214 ( 7.278 4.459 -10.633) 13.635 ======================= Grid point 145 (67/160) ======================= q-point: (-0.11 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -12.589 -6.354 -2.589) 14.337 1.011 ( -13.193 -9.739 12.986) 20.918 1.516 ( -8.003 0.698 0.756) 8.069 1.667 ( -9.290 -6.860 -2.073) 11.733 1.745 ( -2.704 -1.177 0.547) 2.999 1.890 ( -4.765 3.980 4.782) 7.836 2.020 ( -1.291 0.118 -1.723) 2.156 2.080 ( -1.417 0.987 2.068) 2.694 2.146 ( -3.885 -2.221 -1.412) 4.692 2.264 ( -4.973 7.722 2.530) 9.527 2.393 ( 4.581 0.594 2.055) 5.055 2.506 ( -3.507 2.736 -0.876) 4.533 2.644 ( 1.216 -0.576 -0.968) 1.658 2.722 ( -1.065 -0.443 -2.493) 2.746 2.754 ( 0.253 -0.234 0.196) 0.396 2.956 ( -5.704 0.001 -0.614) 5.737 3.045 ( -3.626 -2.210 -2.324) 4.841 3.479 ( 7.829 -0.848 -2.541) 8.275 4.917 ( -0.431 0.782 4.374) 4.464 4.940 ( 0.676 -0.104 -1.022) 1.229 5.585 ( 0.576 -0.141 2.072) 2.155 5.700 ( 0.699 1.910 0.353) 2.064 5.853 ( 0.092 -1.656 -0.556) 1.749 6.188 ( 2.106 -0.348 -3.227) 3.869 6.249 ( 3.025 0.870 -1.582) 3.522 6.331 ( 4.039 0.270 0.775) 4.121 7.581 ( 0.339 -0.454 0.295) 0.638 7.723 ( -0.149 0.054 0.378) 0.410 8.558 ( 0.430 -1.108 0.763) 1.413 8.660 ( -0.675 0.594 -0.177) 0.916 13.755 ( 3.309 4.474 2.613) 6.148 14.071 ( 3.309 -0.514 4.603) 5.693 14.603 ( 8.473 5.693 -4.682) 11.231 15.263 ( 9.348 -7.883 -4.299) 12.962 17.852 ( -2.571 0.625 6.470) 6.990 18.334 ( -5.349 4.373 23.204) 24.210 18.529 ( 1.375 -1.925 -4.179) 4.803 19.912 ( 4.197 -0.858 -9.926) 10.811 20.331 ( -3.562 -0.014 0.464) 3.592 20.738 ( 2.522 3.045 -1.370) 4.184 21.944 ( 0.591 0.498 5.427) 5.482 22.796 ( 0.873 -0.182 -6.572) 6.632 45.624 ( -1.753 -0.332 1.284) 2.198 45.755 ( 0.867 0.583 -0.284) 1.083 46.334 ( -5.758 0.315 -2.073) 6.128 46.401 ( -0.531 -5.330 2.471) 5.899 98.771 ( -0.893 0.768 1.729) 2.092 98.857 ( -0.516 -0.208 2.117) 2.189 99.288 ( -0.558 0.110 0.560) 0.798 99.335 ( 0.157 -0.937 0.416) 1.037 99.682 ( -0.910 0.700 0.465) 1.239 99.837 ( 0.676 -3.613 -1.742) 4.067 100.308 ( -0.905 0.270 3.172) 3.310 101.101 ( -0.433 7.046 -13.295) 15.053 ======================= Grid point 153 (68/160) ======================= q-point: (-0.22 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -18.820 0.000 -1.277) 18.864 0.812 ( -17.969 0.000 17.346) 24.976 1.427 ( -26.665 0.000 -9.315) 28.245 1.611 ( -5.432 0.000 2.610) 6.026 1.709 ( -2.676 0.000 1.395) 3.018 1.986 ( -2.697 0.000 5.323) 5.967 2.006 ( -0.650 0.000 -0.761) 1.001 2.098 ( -2.499 0.000 0.966) 2.679 2.108 ( -2.292 0.000 -2.068) 3.087 2.355 ( 4.244 -0.000 0.851) 4.329 2.556 ( -2.286 0.000 3.565) 4.235 2.584 ( 5.509 -0.000 -1.543) 5.721 2.619 ( -1.991 0.000 -6.971) 7.250 2.749 ( -5.546 0.000 4.537) 7.166 2.782 ( -3.366 0.000 2.307) 4.081 2.939 ( -2.284 0.000 2.424) 3.331 2.966 ( -3.528 0.000 2.139) 4.126 3.368 ( 1.910 -0.000 -14.109) 14.238 4.936 ( 1.050 -0.000 -2.582) 2.787 4.947 ( 0.483 -0.000 9.072) 9.085 5.580 ( 0.701 -0.000 1.770) 1.904 5.783 ( -0.274 0.000 0.098) 0.291 5.784 ( 0.915 -0.000 -0.321) 0.970 6.179 ( 3.502 -0.000 -2.555) 4.335 6.258 ( 2.674 -0.000 -1.723) 3.181 6.326 ( 4.999 -0.000 0.924) 5.083 7.576 ( 0.418 -0.000 0.431) 0.600 7.719 ( -0.152 0.000 -0.346) 0.378 8.538 ( 0.317 -0.000 0.924) 0.977 8.668 ( -0.492 0.000 -0.122) 0.507 13.846 ( 3.499 -0.000 4.033) 5.339 14.049 ( 5.096 -0.000 5.725) 7.664 14.773 ( 9.444 -0.000 -5.687) 11.024 15.061 ( 16.170 -0.000 -8.518) 18.276 17.864 ( -2.551 0.000 7.034) 7.482 18.450 ( -0.654 0.000 34.261) 34.267 18.495 ( 1.579 -0.000 -5.392) 5.619 19.895 ( 4.363 -0.000 -11.341) 12.151 20.330 ( -3.910 0.000 1.581) 4.218 20.804 ( 3.655 -0.000 -0.260) 3.664 21.947 ( 0.294 -0.000 5.182) 5.190 22.795 ( 0.336 -0.000 -6.666) 6.674 45.647 ( -1.267 0.000 4.660) 4.829 45.746 ( 0.544 -0.000 -1.372) 1.476 46.257 ( -6.967 0.000 1.584) 7.145 46.341 ( -6.836 0.000 -1.986) 7.119 98.818 ( -0.374 0.000 -0.312) 0.487 98.826 ( 0.133 -0.000 7.464) 7.466 99.296 ( -0.822 0.000 -0.552) 0.990 99.308 ( -0.978 0.000 0.787) 1.255 99.708 ( -1.796 0.000 -0.485) 1.860 99.747 ( -3.024 0.000 -2.724) 4.070 100.317 ( -0.682 0.000 4.111) 4.167 101.267 ( 6.489 -0.000 -18.699) 19.793 ======================= Grid point 154 (69/160) ======================= q-point: (-0.11 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -14.951 -5.826 0.716) 16.062 0.771 ( -16.572 -7.833 15.291) 23.870 1.179 ( -26.808 -11.232 -2.943) 29.215 1.556 ( -5.040 0.196 2.244) 5.521 1.691 ( -3.729 -1.565 0.233) 4.051 1.961 ( -2.690 4.110 4.083) 6.387 1.983 ( -1.407 -0.303 -1.821) 2.321 2.056 ( -1.977 -0.467 -1.464) 2.504 2.109 ( -0.727 -1.152 1.065) 1.728 2.387 ( 0.293 5.741 3.418) 6.688 2.476 ( -0.042 8.338 1.014) 8.400 2.535 ( -1.193 1.422 2.932) 3.471 2.614 ( -0.030 -0.807 -2.751) 2.867 2.711 ( -4.832 1.524 0.409) 5.083 2.754 ( 3.252 -1.068 -0.654) 3.485 2.916 ( -4.387 2.869 -0.595) 5.276 2.940 ( -5.546 -3.065 -1.829) 6.596 3.442 ( 6.202 -10.865 -9.776) 15.877 4.939 ( 1.341 -0.061 -1.974) 2.387 4.985 ( 1.111 3.000 11.283) 11.728 5.597 ( 0.584 -0.172 1.800) 1.900 5.752 ( 1.364 2.359 0.496) 2.770 5.824 ( 0.540 -2.018 -0.346) 2.118 6.201 ( 2.840 0.310 -2.314) 3.676 6.276 ( 2.197 0.083 -1.578) 2.706 6.377 ( 3.507 -0.181 -0.790) 3.600 7.583 ( 0.479 -0.069 0.447) 0.659 7.719 ( -0.333 -0.330 0.073) 0.475 8.549 ( 0.106 -0.706 0.582) 0.921 8.658 ( -0.611 0.266 -0.368) 0.762 13.871 ( 3.231 3.307 3.049) 5.539 14.136 ( 5.048 -0.317 4.782) 6.960 14.774 ( 7.925 6.762 -4.948) 11.533 15.221 ( 9.061 -5.629 -8.645) 13.731 17.864 ( -2.911 0.482 7.151) 7.736 18.501 ( 2.133 -0.968 -3.677) 4.360 18.555 ( -0.610 10.966 41.215) 42.653 19.897 ( 4.062 -0.834 -9.850) 10.687 20.295 ( -3.610 0.102 0.877) 3.716 20.804 ( 1.902 3.196 -2.204) 4.323 21.982 ( 1.167 -0.315 5.653) 5.781 22.773 ( 0.885 -0.167 -6.023) 6.090 45.631 ( -1.310 2.367 4.231) 5.022 45.770 ( 1.957 -0.728 0.103) 2.090 46.257 ( -5.360 -1.774 -1.840) 5.938 46.288 ( -2.382 -7.640 1.524) 8.147 98.796 ( -0.187 2.001 1.969) 2.813 98.870 ( -0.026 0.630 6.739) 6.768 99.286 ( -0.545 0.038 0.433) 0.697 99.319 ( -0.033 -1.733 0.818) 1.916 99.682 ( -0.879 0.497 -0.477) 1.117 99.764 ( 1.003 -6.082 -1.074) 6.257 100.323 ( -0.763 0.542 3.689) 3.805 101.116 ( -4.227 8.313 -26.372) 27.973 ======================= Grid point 163 (70/160) ======================= q-point: (-0.11 -0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -14.148 0.000 8.332) 16.419 0.559 ( -22.863 0.000 5.734) 23.571 0.778 ( -26.840 0.000 15.877) 31.184 1.507 ( -5.833 0.000 2.051) 6.183 1.641 ( -2.611 0.000 -0.365) 2.637 1.926 ( -3.853 0.000 -2.042) 4.360 1.994 ( -0.964 0.000 -1.649) 1.910 2.071 ( 0.183 -0.000 6.341) 6.344 2.078 ( 0.569 -0.000 -1.291) 1.411 2.483 ( 5.900 -0.000 2.859) 6.556 2.500 ( -1.953 0.000 -3.988) 4.440 2.583 ( 2.128 -0.000 -2.071) 2.970 2.660 ( -5.132 0.000 0.333) 5.143 2.704 ( 5.457 -0.000 -0.837) 5.521 2.743 ( -2.946 0.000 4.858) 5.681 2.831 ( -6.590 0.000 2.304) 6.981 2.979 ( -0.349 0.000 3.147) 3.166 3.177 ( -7.956 0.000 -20.299) 21.802 4.946 ( 1.578 -0.000 -1.706) 2.324 5.151 ( 9.886 -0.000 16.911) 19.589 5.612 ( 0.522 -0.000 2.592) 2.644 5.791 ( 0.658 -0.000 -0.182) 0.683 5.807 ( 1.033 -0.000 0.953) 1.406 6.228 ( 3.058 -0.000 -1.757) 3.527 6.286 ( 1.173 -0.000 -1.298) 1.750 6.384 ( 0.185 -0.000 -3.550) 3.555 7.590 ( 0.436 -0.000 0.607) 0.747 7.710 ( -0.431 0.000 -0.200) 0.475 8.545 ( -0.115 0.000 0.308) 0.329 8.651 ( -0.564 0.000 -0.672) 0.877 13.938 ( 1.719 -0.000 2.124) 2.733 14.197 ( 3.137 -0.000 2.863) 4.247 14.900 ( 6.651 -0.000 -2.194) 7.004 15.204 ( 5.150 -0.000 -10.834) 11.996 17.868 ( -3.378 0.000 7.360) 8.098 18.502 ( 2.705 -0.000 -2.875) 3.947 19.101 ( 27.730 -0.000 64.417) 70.132 19.885 ( 3.754 -0.000 -8.991) 9.743 20.266 ( -2.697 0.000 0.881) 2.837 20.845 ( 1.343 -0.000 -4.952) 5.131 22.007 ( 0.281 -0.000 5.486) 5.493 22.759 ( 1.495 -0.000 -4.756) 4.985 45.734 ( 4.340 -0.000 10.280) 11.159 45.769 ( 2.533 -0.000 -0.827) 2.664 46.116 ( -6.803 0.000 0.948) 6.869 46.198 ( -4.358 0.000 -1.615) 4.647 98.821 ( 0.424 -0.000 0.488) 0.646 98.995 ( 8.709 -0.000 17.798) 19.815 99.284 ( -0.135 0.000 1.429) 1.436 99.287 ( -1.405 0.000 0.497) 1.490 99.668 ( -1.171 0.000 -0.676) 1.352 99.681 ( -1.010 0.000 -2.025) 2.263 100.336 ( -1.091 0.000 3.412) 3.582 100.928 ( -18.829 0.000 -49.235) 52.713 ======================= Grid point 164 (71/160) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 14.392 -0.000 17.281) 22.489 0.737 ( 1.195 -0.000 19.006) 19.043 1.243 ( -9.000 0.000 25.241) 26.797 1.382 ( -4.778 0.000 -4.330) 6.448 1.633 ( 1.175 -0.000 -1.392) 1.822 1.836 ( -2.921 0.000 -3.647) 4.673 1.892 ( 3.653 -0.000 -0.140) 3.655 2.001 ( 0.059 -0.000 -3.527) 3.528 2.128 ( -4.675 0.000 -0.827) 4.748 2.355 ( -0.612 0.000 -4.224) 4.268 2.386 ( 0.629 -0.000 -3.522) 3.578 2.480 ( 2.256 -0.000 -7.774) 8.094 2.662 ( -0.312 0.000 0.265) 0.410 2.740 ( 1.551 -0.000 -1.639) 2.256 2.782 ( 5.650 -0.000 2.352) 6.120 2.797 ( -2.976 0.000 1.172) 3.198 3.083 ( -3.249 0.000 5.233) 6.160 3.122 ( 2.235 -0.000 5.808) 6.223 4.962 ( 1.657 -0.000 0.435) 1.713 5.208 ( -4.329 0.000 -6.640) 7.926 5.660 ( -1.257 0.000 1.886) 2.266 5.771 ( -0.365 0.000 -1.581) 1.622 5.928 ( -0.924 0.000 5.091) 5.174 6.217 ( 1.510 -0.000 -3.819) 4.107 6.292 ( 1.544 -0.000 0.539) 1.636 6.330 ( 0.369 -0.000 -0.487) 0.611 7.630 ( 0.404 -0.000 1.464) 1.519 7.692 ( -0.254 0.000 -0.622) 0.672 8.537 ( -0.717 0.000 0.073) 0.721 8.608 ( 0.291 -0.000 -1.808) 1.831 13.966 ( -0.072 0.000 1.156) 1.159 14.118 ( -4.497 0.000 -3.934) 5.975 15.115 ( 4.190 -0.000 5.241) 6.710 15.305 ( 3.719 -0.000 -1.041) 3.862 18.029 ( -6.791 0.000 11.146) 13.052 18.540 ( 6.202 -0.000 -2.446) 6.666 19.584 ( -34.595 0.000 2.603) 34.693 19.797 ( 9.724 -0.000 -5.988) 11.420 20.248 ( -2.084 0.000 1.482) 2.557 20.604 ( 3.813 -0.000 -9.050) 9.821 22.183 ( -3.279 0.000 8.806) 9.396 22.675 ( 3.639 -0.000 -6.359) 7.327 45.773 ( -6.873 0.000 0.829) 6.923 45.816 ( 2.605 -0.000 -0.229) 2.615 46.028 ( -2.452 0.000 0.671) 2.542 46.119 ( 2.316 -0.000 -1.819) 2.945 98.872 ( 0.532 -0.000 2.307) 2.368 99.005 ( -11.219 0.000 -1.590) 11.331 99.273 ( -0.414 0.000 0.214) 0.466 99.276 ( -0.255 0.000 0.069) 0.264 99.644 ( 0.720 -0.000 -0.515) 0.885 99.658 ( -0.052 0.000 -0.916) 0.917 100.374 ( -5.040 0.000 3.333) 6.042 100.604 ( 27.054 -0.000 -3.606) 27.293 ======================= Grid point 165 (72/160) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 3.119 -0.138 15.914) 16.218 0.982 ( 8.809 -5.489 15.870) 18.963 1.311 ( -1.131 -1.568 0.547) 2.009 1.415 ( 2.478 -9.512 8.885) 13.250 1.657 ( 1.005 -2.626 -1.981) 3.440 1.779 ( -2.134 1.411 -0.975) 2.738 1.928 ( 1.289 0.051 -0.782) 1.509 2.013 ( 3.115 -0.928 -1.115) 3.436 2.087 ( -2.737 -0.336 1.555) 3.165 2.320 ( -4.101 0.630 -5.105) 6.578 2.373 ( 2.111 0.081 -0.406) 2.152 2.480 ( 3.736 0.040 -6.055) 7.115 2.640 ( -1.473 6.385 3.172) 7.281 2.667 ( 0.410 0.396 0.126) 0.584 2.769 ( -1.317 0.836 0.501) 1.639 2.853 ( 6.309 0.600 1.096) 6.432 3.081 ( 2.757 0.215 2.232) 3.553 3.287 ( -0.432 -9.764 -1.252) 9.854 4.976 ( 1.052 0.592 0.589) 1.343 5.090 ( -5.619 3.573 -2.175) 7.005 5.656 ( -1.547 0.014 2.444) 2.892 5.755 ( -0.949 0.332 -1.575) 1.869 5.933 ( -0.954 0.445 4.637) 4.755 6.211 ( 0.463 0.033 -4.683) 4.706 6.286 ( -0.105 1.917 0.362) 1.954 6.330 ( 0.233 -0.080 -1.161) 1.187 7.643 ( 0.305 -0.361 1.762) 1.824 7.689 ( -0.214 -0.057 -0.921) 0.948 8.537 ( -0.744 -0.811 0.038) 1.101 8.606 ( 0.558 -0.171 -1.479) 1.590 13.952 ( -1.178 2.162 2.298) 3.368 14.048 ( -4.727 0.297 -3.352) 5.803 15.118 ( -0.885 4.639 5.091) 6.944 15.305 ( -0.952 0.093 -4.277) 4.383 18.008 ( -6.466 -0.096 10.353) 12.207 18.591 ( 5.640 0.528 -2.344) 6.130 19.107 ( -31.621 12.607 17.378) 38.221 19.878 ( 8.675 0.124 -4.109) 9.600 20.227 ( -1.594 0.492 0.944) 1.917 20.587 ( 2.630 1.117 -8.869) 9.318 22.178 ( -4.565 0.982 8.213) 9.447 22.683 ( 4.706 0.431 -6.701) 8.200 45.699 ( -4.288 0.760 3.099) 5.345 45.827 ( 0.346 0.819 0.371) 0.963 46.092 ( 0.076 -6.830 -2.548) 7.290 46.163 ( 5.004 -1.530 -1.040) 5.335 98.880 ( -6.302 1.956 2.554) 7.075 98.883 ( 0.226 0.512 2.679) 2.737 99.272 ( -0.576 -0.175 0.147) 0.620 99.309 ( 1.191 -1.814 -0.101) 2.173 99.655 ( -0.545 -0.138 -1.064) 1.204 99.698 ( 2.082 -4.236 -1.873) 5.078 100.331 ( -4.799 -0.126 2.000) 5.201 100.817 ( 20.609 2.373 -10.098) 23.072 ======================= Grid point 166 (73/160) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 1.657 -2.630 10.410) 10.864 1.207 ( 4.042 -5.937 13.677) 15.448 1.345 ( 3.651 -2.566 -2.019) 4.898 1.588 ( 4.241 -2.554 -8.888) 10.174 1.726 ( -1.590 -4.992 2.025) 5.616 1.760 ( -0.561 0.245 3.820) 3.869 1.973 ( 4.104 -3.389 3.763) 6.518 2.025 ( -1.118 -0.410 0.197) 1.207 2.138 ( 3.832 -3.501 3.555) 6.291 2.246 ( -2.454 0.631 -1.009) 2.727 2.367 ( -0.960 3.447 0.851) 3.678 2.512 ( 3.068 -1.858 -3.044) 4.705 2.598 ( 1.069 -0.254 2.014) 2.295 2.676 ( 1.106 -0.083 -0.067) 1.111 2.754 ( 0.126 -0.317 -1.231) 1.277 2.917 ( 7.477 0.603 0.887) 7.554 3.104 ( 1.299 0.680 -0.750) 1.647 3.360 ( -2.202 -2.377 -3.440) 4.725 4.961 ( -1.398 1.691 0.097) 2.197 5.001 ( -1.697 1.434 0.634) 2.310 5.639 ( -2.315 0.997 2.505) 3.554 5.735 ( -1.281 -0.219 -0.541) 1.408 5.936 ( -0.891 0.422 3.254) 3.400 6.176 ( -1.101 1.316 -4.702) 5.005 6.240 ( -1.167 1.988 -2.330) 3.278 6.333 ( 1.082 0.176 0.350) 1.150 7.664 ( 0.119 -0.667 2.355) 2.451 7.677 ( -0.267 0.447 -1.278) 1.380 8.544 ( -0.885 -1.089 -0.152) 1.412 8.614 ( 0.879 -0.408 -0.739) 1.219 13.884 ( -4.281 4.461 2.960) 6.855 13.985 ( -3.778 -0.067 -2.121) 4.333 14.998 ( -6.788 7.481 3.510) 10.694 15.282 ( 0.246 -1.380 -4.408) 4.626 17.991 ( -5.764 -0.167 9.530) 11.139 18.615 ( 3.975 1.719 -2.536) 5.019 18.771 ( -19.966 6.507 21.631) 30.148 19.914 ( 6.294 3.090 -6.128) 9.312 20.227 ( 0.144 -1.337 0.970) 1.659 20.552 ( 1.683 1.054 -8.146) 8.384 22.130 ( -5.173 2.610 7.837) 9.746 22.699 ( 5.260 0.501 -7.440) 9.125 45.682 ( -2.400 -0.808 2.465) 3.534 45.807 ( -0.605 1.690 0.348) 1.828 46.182 ( 1.357 -5.137 -3.368) 6.290 46.263 ( 6.301 -3.353 0.227) 7.141 98.829 ( -3.008 0.257 2.361) 3.833 98.885 ( 0.185 1.024 2.431) 2.644 99.270 ( -0.576 -0.379 0.189) 0.715 99.343 ( 1.198 -0.756 0.539) 1.515 99.641 ( -1.860 -0.606 -1.393) 2.402 99.786 ( 4.122 -3.276 -1.060) 5.371 100.304 ( -3.379 -1.152 1.279) 3.792 100.885 ( 11.766 3.967 -10.622) 16.341 ======================= Grid point 167 (74/160) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 2.565 -2.861 5.575) 6.771 1.371 ( 5.106 -1.958 6.493) 8.489 1.453 ( 2.142 -6.118 4.797) 8.064 1.583 ( 2.322 1.109 -6.960) 7.420 1.749 ( -2.518 -2.234 1.562) 3.711 1.774 ( -0.555 -0.166 2.955) 3.011 2.047 ( -0.362 -3.574 2.017) 4.120 2.066 ( 1.249 -1.027 -0.238) 1.635 2.208 ( -1.572 1.637 4.474) 5.017 2.281 ( 1.276 0.696 -0.327) 1.490 2.326 ( 1.288 -4.553 0.743) 4.789 2.550 ( 2.382 -1.310 -1.762) 3.239 2.641 ( 1.770 -1.056 1.164) 2.367 2.678 ( 0.775 2.030 1.229) 2.496 2.797 ( 1.654 -4.792 -1.642) 5.328 3.004 ( 6.290 -1.110 0.541) 6.411 3.084 ( 1.639 1.302 -3.406) 3.998 3.293 ( -4.098 4.401 -1.981) 6.332 4.924 ( -1.482 0.504 0.215) 1.580 4.982 ( -0.120 0.944 0.711) 1.188 5.612 ( -1.767 0.682 2.776) 3.360 5.726 ( -1.986 -0.606 0.490) 2.134 5.926 ( -0.961 1.124 1.679) 2.237 6.109 ( -2.006 1.632 -4.167) 4.904 6.192 ( 0.012 1.279 -3.976) 4.176 6.348 ( 1.247 0.202 1.092) 1.670 7.654 ( -0.198 1.190 -0.881) 1.493 7.691 ( -0.160 -1.102 2.184) 2.452 8.553 ( -0.645 -1.324 -0.137) 1.479 8.627 ( 0.760 -0.265 -0.248) 0.843 13.762 ( -5.801 4.675 2.220) 7.774 13.955 ( -2.372 -1.117 -1.021) 2.814 14.800 ( -7.953 7.806 1.842) 11.295 15.320 ( 2.869 -2.760 -2.265) 4.580 17.978 ( -5.032 -0.152 8.999) 10.311 18.583 ( -4.126 2.728 5.965) 7.749 18.653 ( -6.814 1.522 11.838) 13.743 19.866 ( 4.876 4.830 -10.263) 12.346 20.273 ( 0.748 -2.504 0.949) 2.781 20.523 ( 1.634 0.108 -7.002) 7.191 22.074 ( -4.434 2.221 8.038) 9.445 22.704 ( 4.896 1.122 -8.405) 9.792 45.685 ( -1.433 -1.061 1.144) 2.118 45.767 ( -0.858 2.307 0.052) 2.462 46.252 ( 1.260 -3.487 -2.709) 4.592 46.388 ( 5.761 -3.247 1.384) 6.756 98.814 ( -1.820 -0.114 1.596) 2.423 98.877 ( 0.143 1.230 1.547) 1.982 99.274 ( -0.443 -0.583 0.232) 0.768 99.364 ( 0.866 -0.043 0.859) 1.220 99.626 ( -2.426 -1.353 -1.538) 3.175 99.873 ( 5.304 -1.152 0.813) 5.488 100.307 ( -1.767 -1.776 1.301) 2.823 100.869 ( 5.704 3.160 -10.028) 11.962 ======================= Grid point 168 (75/160) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 2.886 1.532 3.014) 4.445 1.445 ( 2.609 0.127 3.141) 4.085 1.560 ( 2.923 1.795 -1.871) 3.907 1.599 ( -0.780 -6.025 7.775) 9.867 1.781 ( 0.139 0.143 2.617) 2.625 1.792 ( -1.069 -3.628 2.289) 4.421 2.063 ( 0.141 0.923 0.010) 0.934 2.122 ( -4.757 -1.257 8.969) 10.230 2.163 ( 0.621 -2.592 -2.045) 3.360 2.278 ( 0.477 0.942 -0.908) 1.393 2.381 ( 0.787 -0.224 -4.362) 4.438 2.560 ( 0.632 2.240 -0.550) 2.392 2.645 ( -1.820 0.244 -0.912) 2.051 2.694 ( 2.896 -0.062 1.907) 3.468 2.824 ( -4.845 -0.566 -2.725) 5.587 3.052 ( -0.972 -0.752 -2.944) 3.190 3.145 ( -2.609 4.222 2.212) 5.434 3.161 ( 9.427 -2.321 -2.017) 9.916 4.913 ( -0.495 -0.254 0.106) 0.567 4.970 ( -0.201 0.762 0.727) 1.072 5.612 ( -0.702 -0.502 3.287) 3.398 5.709 ( -2.261 0.317 0.882) 2.447 5.905 ( -0.160 0.964 0.597) 1.145 6.066 ( -0.021 -0.319 -4.510) 4.521 6.163 ( 0.586 0.552 -3.667) 3.754 6.357 ( 0.663 0.598 1.178) 1.479 7.629 ( 0.067 1.273 -0.779) 1.494 7.715 ( -0.483 -0.989 2.202) 2.462 8.571 ( -0.272 -1.457 0.138) 1.489 8.633 ( 0.325 0.159 -0.281) 0.458 13.665 ( -3.164 1.755 1.555) 3.939 13.960 ( -0.780 -2.361 -1.228) 2.773 14.632 ( -4.370 5.344 1.995) 7.186 15.384 ( 2.878 -1.431 -0.878) 3.332 17.974 ( -4.356 -0.422 9.205) 10.192 18.536 ( -3.967 1.198 6.753) 7.923 18.626 ( -4.957 0.702 9.888) 11.083 19.793 ( 5.685 4.126 -13.095) 14.861 20.309 ( -0.942 -1.562 -0.140) 1.829 20.527 ( 2.481 -1.588 -5.644) 6.367 22.048 ( -3.219 0.668 8.716) 9.316 22.690 ( 4.276 1.558 -9.360) 10.407 45.696 ( -0.509 -1.155 0.254) 1.287 45.720 ( -0.676 2.429 -0.013) 2.521 46.290 ( -0.187 -1.871 -2.024) 2.762 46.487 ( 3.803 -1.589 1.715) 4.464 98.803 ( -1.258 0.264 1.224) 1.775 98.868 ( -0.023 0.562 0.769) 0.953 99.281 ( -0.277 -0.572 0.228) 0.675 99.372 ( 0.494 0.320 0.890) 1.066 99.619 ( -2.287 -1.787 -1.502) 3.268 99.938 ( 5.942 1.239 1.872) 6.352 100.328 ( -1.026 -1.504 1.962) 2.677 100.824 ( 1.171 1.231 -9.906) 10.051 ======================= Grid point 169 (76/160) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 1.450 8.396 2.699) 8.938 1.429 ( -5.006 3.855 2.874) 6.941 1.569 ( 2.747 1.396 3.157) 4.411 1.685 ( -1.555 -3.317 3.739) 5.235 1.800 ( 2.060 -0.265 2.289) 3.091 1.854 ( -0.362 -3.228 1.732) 3.681 2.036 ( -1.047 2.519 -0.621) 2.798 2.114 ( -3.705 -1.104 4.773) 6.142 2.221 ( -4.702 4.339 2.253) 6.783 2.254 ( -0.682 -4.876 -0.139) 4.926 2.322 ( -1.915 1.724 -2.849) 3.842 2.511 ( 3.029 4.943 1.233) 5.927 2.622 ( -4.057 -1.843 -1.528) 4.711 2.688 ( 0.842 2.200 -2.095) 3.153 2.791 ( -0.423 -0.430 0.494) 0.780 2.956 ( -7.593 1.967 -1.711) 8.028 3.070 ( -1.930 2.867 -0.762) 3.539 3.358 ( 9.950 -5.731 -1.888) 11.637 4.917 ( 0.282 -0.219 -0.111) 0.374 4.964 ( -0.345 -0.054 1.227) 1.276 5.634 ( -0.530 -0.749 3.513) 3.631 5.690 ( -0.213 0.301 0.835) 0.913 5.897 ( 0.367 0.914 0.642) 1.175 6.071 ( 2.183 -1.428 -5.582) 6.161 6.162 ( 1.240 -1.274 -2.815) 3.329 6.356 ( -0.002 0.526 1.089) 1.210 7.611 ( 0.378 0.989 -0.282) 1.096 7.731 ( -0.687 -0.677 1.781) 2.025 8.590 ( -0.055 -0.739 0.418) 0.851 8.628 ( -0.141 0.152 -0.704) 0.734 13.666 ( 1.105 -2.378 1.528) 3.035 14.004 ( 1.694 -3.441 -2.176) 4.410 14.568 ( 0.365 1.394 3.082) 3.403 15.401 ( 1.252 1.741 -0.878) 2.318 17.985 ( -3.923 -0.945 10.077) 10.855 18.513 ( 0.818 1.553 -1.246) 2.153 18.631 ( -8.249 -2.889 18.698) 20.640 19.744 ( 7.123 2.794 -13.982) 15.938 20.304 ( -2.477 -0.662 -0.701) 2.658 20.567 ( 2.880 -2.676 -5.382) 6.665 22.063 ( -2.286 -0.906 9.374) 9.691 22.664 ( 3.832 1.419 -9.808) 10.625 45.678 ( -0.371 1.962 0.464) 2.050 45.717 ( 0.556 -1.377 0.019) 1.485 46.286 ( -2.080 -0.216 -1.642) 2.659 46.527 ( 1.409 0.892 0.871) 1.881 98.791 ( -0.711 0.423 1.204) 1.461 98.870 ( -0.302 -0.629 0.895) 1.135 99.286 ( -0.242 -0.354 0.156) 0.456 99.374 ( 0.205 0.410 0.885) 0.997 99.619 ( -1.756 -1.708 -1.497) 2.871 99.979 ( 7.149 3.410 1.880) 8.141 100.348 ( -1.131 -1.072 2.900) 3.292 100.758 ( -3.444 0.033 -10.913) 11.444 ======================= Grid point 170 (77/160) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.548 11.912 5.540) 13.149 1.228 ( -11.790 10.600 2.021) 15.983 1.582 ( -0.036 1.113 2.611) 2.838 1.720 ( -2.053 -1.700 1.529) 3.073 1.791 ( -4.239 10.204 6.813) 12.981 1.885 ( 0.317 -2.434 1.679) 2.974 1.938 ( -3.707 3.192 -4.107) 6.388 2.044 ( -1.303 1.993 -1.085) 2.617 2.161 ( -1.405 1.249 0.629) 1.982 2.287 ( -6.040 -3.901 11.259) 13.359 2.341 ( -1.576 -5.218 -2.471) 5.985 2.513 ( 4.136 1.086 -0.021) 4.276 2.595 ( -1.204 0.582 -3.511) 3.757 2.665 ( 0.519 0.930 -0.026) 1.066 2.797 ( 0.302 0.264 0.636) 0.752 2.861 ( -6.201 0.191 0.450) 6.220 2.982 ( -4.772 2.298 -1.632) 5.542 3.499 ( 7.504 -1.505 -4.460) 8.858 4.922 ( 0.860 0.173 -0.449) 0.986 4.988 ( 0.166 -2.469 2.223) 3.326 5.650 ( -0.277 0.043 2.804) 2.817 5.710 ( 1.480 -1.213 1.195) 2.257 5.884 ( 0.455 1.566 0.897) 1.861 6.103 ( 3.345 -1.893 -4.855) 6.192 6.197 ( 1.992 -2.135 -2.779) 4.031 6.355 ( -0.480 -0.224 0.385) 0.655 7.604 ( 0.611 0.536 0.372) 0.894 7.736 ( -0.839 -0.139 1.084) 1.378 8.590 ( -0.078 0.905 0.341) 0.971 8.625 ( -0.340 -0.653 -1.056) 1.287 13.764 ( 3.352 -5.056 1.955) 6.374 14.078 ( 3.176 -3.883 -3.439) 6.082 14.623 ( 4.815 -2.506 4.591) 7.109 15.351 ( 0.426 4.423 -1.590) 4.719 18.010 ( -4.035 -1.315 11.143) 11.923 18.488 ( 2.926 2.239 -4.644) 5.928 18.745 ( -8.273 -10.539 25.509) 28.814 19.727 ( 8.226 1.790 -13.295) 15.736 20.281 ( -3.027 -0.604 -0.166) 3.091 20.612 ( 2.296 -2.574 -6.596) 7.443 22.108 ( -1.858 -1.789 9.595) 9.936 22.641 ( 3.733 0.818 -9.414) 10.160 45.657 ( 0.050 0.876 1.525) 1.759 45.751 ( 1.253 -1.555 0.215) 2.009 46.242 ( -3.308 1.090 -1.614) 3.839 46.496 ( -0.415 3.688 -1.165) 3.890 98.790 ( -0.140 -0.225 1.494) 1.517 98.889 ( -0.817 -1.788 1.823) 2.681 99.288 ( -0.296 -0.110 0.059) 0.321 99.372 ( -0.059 0.363 0.887) 0.960 99.622 ( -0.928 -1.346 -1.543) 2.248 100.003 ( 9.627 5.594 0.996) 11.179 100.366 ( -1.674 -1.259 3.381) 3.977 100.635 ( -8.725 0.853 -12.336) 15.134 ======================= Grid point 171 (78/160) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 0.011 12.068 10.106) 15.740 0.901 ( -13.739 12.923 4.151) 19.313 1.534 ( -10.450 13.877 16.062) 23.660 1.550 ( -3.833 1.747 2.113) 4.713 1.696 ( -2.281 2.564 0.558) 3.477 1.847 ( -2.416 -0.172 -4.791) 5.368 1.947 ( 0.450 -2.089 -1.728) 2.748 2.038 ( 2.610 1.853 -0.626) 3.261 2.130 ( 0.285 0.269 -0.320) 0.506 2.350 ( -7.838 -7.282 4.395) 11.566 2.402 ( -0.640 -4.030 0.695) 4.139 2.517 ( -1.018 2.362 -3.945) 4.710 2.550 ( -0.217 -1.473 -0.361) 1.532 2.663 ( 2.245 2.045 0.578) 3.092 2.779 ( -4.339 -0.343 -2.315) 4.930 2.832 ( -1.876 -0.534 3.268) 3.805 2.921 ( -0.992 0.109 2.348) 2.552 3.504 ( 4.106 6.189 -6.215) 9.685 4.928 ( 1.342 0.247 -0.448) 1.436 5.074 ( 1.181 -6.213 1.677) 6.543 5.655 ( -0.095 0.374 2.168) 2.203 5.757 ( 1.235 -1.763 0.562) 2.225 5.874 ( 0.772 1.090 2.377) 2.727 6.156 ( 3.919 -2.022 -3.170) 5.431 6.237 ( 2.387 -1.521 -2.770) 3.961 6.350 ( -1.216 -0.161 -0.778) 1.452 7.609 ( 0.687 0.180 0.939) 1.178 7.727 ( -0.916 0.518 0.212) 1.073 8.571 ( -0.335 1.144 0.163) 1.203 8.625 ( -0.221 -0.309 -1.429) 1.478 13.883 ( 1.874 -4.368 1.724) 5.056 14.147 ( 1.618 -3.267 -4.110) 5.494 14.783 ( 8.112 -5.182 5.916) 11.299 15.280 ( 2.337 4.597 -1.258) 5.308 18.037 ( -4.934 -1.107 11.877) 12.908 18.472 ( 4.141 1.569 -4.228) 6.122 19.051 ( -6.637 -23.089 27.327) 36.386 19.737 ( 8.474 1.107 -11.183) 14.075 20.263 ( -2.793 -0.982 0.731) 3.050 20.630 ( 1.132 -1.648 -8.480) 8.713 22.159 ( -1.921 -1.374 9.034) 9.337 22.635 ( 3.901 -0.119 -8.099) 8.991 45.670 ( 0.328 -1.172 2.769) 3.025 45.791 ( 1.110 -1.430 0.459) 1.867 46.176 ( -2.872 1.590 -1.813) 3.750 46.388 ( -1.754 7.018 -4.208) 8.369 98.812 ( 0.569 -1.187 1.783) 2.216 98.928 ( -2.030 -3.911 2.851) 5.248 99.285 ( -0.317 0.049 -0.015) 0.322 99.369 ( -0.542 0.268 0.617) 0.864 99.629 ( 0.145 -0.930 -1.504) 1.774 100.001 ( 10.864 9.270 -3.977) 14.825 100.365 ( -5.275 -0.579 -1.695) 5.571 100.455 ( -7.806 2.145 -3.428) 8.791 ======================= Grid point 172 (79/160) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -2.768 8.579 12.736) 15.603 0.711 ( -0.077 7.667 16.988) 18.638 1.320 ( -11.165 9.373 23.799) 27.909 1.470 ( -6.605 1.177 -1.186) 6.813 1.642 ( 0.890 2.201 -0.635) 2.458 1.838 ( -0.681 -2.280 -3.314) 4.080 1.918 ( -1.630 2.148 -2.090) 3.411 2.026 ( 0.804 1.140 -3.187) 3.479 2.154 ( -0.111 -1.337 -0.351) 1.387 2.371 ( -5.333 -4.258 -3.365) 7.609 2.407 ( -0.206 1.852 -2.323) 2.978 2.484 ( 1.343 -1.573 -5.614) 5.983 2.632 ( -1.091 -7.596 3.654) 8.500 2.656 ( 3.993 2.062 -0.320) 4.505 2.738 ( -2.577 -1.125 0.685) 2.894 2.822 ( -3.675 -0.582 1.910) 4.182 2.978 ( 2.369 -2.376 6.526) 7.338 3.330 ( -0.422 14.516 -2.889) 14.806 4.942 ( 1.741 -0.052 -0.050) 1.743 5.196 ( 0.343 -6.825 -3.763) 7.802 5.660 ( -0.580 -0.204 1.861) 1.960 5.780 ( 0.177 -0.258 -1.356) 1.392 5.897 ( 0.473 -0.774 4.956) 5.039 6.209 ( 3.595 -0.731 -3.472) 5.051 6.267 ( 1.626 -0.685 -1.217) 2.143 6.331 ( -0.703 0.211 -0.225) 0.767 7.619 ( 0.565 0.077 1.281) 1.402 7.706 ( -0.708 0.736 -0.417) 1.103 8.551 ( -0.614 0.759 0.133) 0.985 8.617 ( -0.029 0.117 -1.839) 1.843 13.947 ( 0.059 -1.952 0.914) 2.156 14.165 ( -2.179 -1.423 -3.974) 4.751 14.983 ( 7.829 -4.705 5.819) 10.830 15.265 ( 5.361 2.169 0.389) 5.796 18.044 ( -6.209 -0.401 11.812) 13.351 18.491 ( 5.593 0.439 -3.223) 6.470 19.519 ( -10.046 -28.798 12.145) 32.829 19.769 ( 6.020 -0.405 -7.554) 9.668 20.257 ( -2.306 -0.891 1.333) 2.809 20.613 ( 1.267 -0.341 -9.509) 9.599 22.182 ( -2.647 0.415 8.312) 8.733 22.654 ( 3.895 -1.056 -6.607) 7.741 45.730 ( 0.096 -4.294 2.561) 5.001 45.818 ( -0.289 -0.874 0.249) 0.954 46.125 ( -0.526 1.375 -2.003) 2.486 46.193 ( -4.276 10.160 -4.572) 11.933 98.848 ( 0.961 -0.888 1.803) 2.227 99.004 ( -4.637 -8.328 1.129) 9.598 99.280 ( -0.274 0.123 -0.005) 0.300 99.343 ( -2.725 1.705 -1.096) 3.396 99.640 ( 1.066 -0.454 -1.263) 1.713 99.808 ( -3.707 13.343 -8.881) 16.451 100.352 ( 8.221 -0.464 3.261) 8.856 100.420 ( 1.493 1.418 3.913) 4.422 ======================= Grid point 174 (80/160) ======================= q-point: ( 0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 1.513 -0.000 11.453) 11.553 1.086 ( 1.022 -0.000 18.879) 18.907 1.338 ( 5.799 -0.000 -4.831) 7.548 1.447 ( 13.717 -0.000 6.764) 15.293 1.647 ( 3.092 -0.000 -1.728) 3.542 1.769 ( -1.399 0.000 2.034) 2.468 1.928 ( 0.366 -0.000 -1.882) 1.918 2.075 ( 7.325 -0.000 0.407) 7.336 2.076 ( -1.189 0.000 3.981) 4.155 2.280 ( -0.541 0.000 -5.140) 5.168 2.346 ( -1.228 0.000 -2.169) 2.493 2.497 ( 4.585 -0.000 -6.585) 8.025 2.674 ( 1.112 -0.000 0.427) 1.191 2.702 ( -3.508 0.000 -3.338) 4.843 2.797 ( 2.658 -0.000 0.275) 2.672 2.854 ( -2.972 0.000 5.179) 5.971 3.142 ( 8.501 -0.000 -6.158) 10.497 3.224 ( 0.914 -0.000 8.199) 8.250 4.995 ( 0.717 -0.000 0.888) 1.141 5.040 ( -6.226 0.000 -1.528) 6.411 5.651 ( -1.642 0.000 2.729) 3.185 5.741 ( -0.737 0.000 -1.777) 1.924 5.945 ( -1.654 0.000 4.808) 5.085 6.194 ( 0.075 -0.000 -4.150) 4.150 6.290 ( -3.236 0.000 -2.375) 4.014 6.316 ( -0.131 0.000 0.678) 0.690 7.649 ( -0.123 0.000 1.976) 1.980 7.685 ( 0.374 -0.000 -1.209) 1.266 8.523 ( -0.717 0.000 0.238) 0.756 8.605 ( 0.770 -0.000 -1.460) 1.651 13.971 ( -1.723 0.000 3.628) 4.017 13.988 ( -4.334 0.000 -1.812) 4.697 15.143 ( -5.453 0.000 3.065) 6.256 15.226 ( -7.909 0.000 -6.643) 10.329 17.986 ( -5.928 0.000 9.649) 11.324 18.642 ( 4.816 -0.000 -2.315) 5.344 18.927 ( -30.797 0.000 17.756) 35.549 19.961 ( 7.719 -0.000 -1.016) 7.785 20.216 ( -1.758 0.000 0.604) 1.859 20.581 ( 1.658 -0.000 -8.511) 8.671 22.177 ( -4.739 0.000 8.745) 9.947 22.707 ( 5.000 -0.000 -6.983) 8.589 45.669 ( -3.675 0.000 2.697) 4.558 45.835 ( -0.629 0.000 1.098) 1.266 46.065 ( 4.840 -0.000 -0.166) 4.843 46.208 ( 6.797 -0.000 -1.194) 6.901 98.838 ( -5.251 0.000 2.622) 5.869 98.900 ( -0.193 0.000 3.267) 3.273 99.286 ( 1.032 -0.000 0.564) 1.176 99.307 ( 1.994 -0.000 0.331) 2.022 99.671 ( 1.873 -0.000 -0.332) 1.902 99.679 ( 2.976 -0.000 -1.272) 3.236 100.283 ( -4.361 0.000 0.486) 4.388 100.970 ( 14.094 -0.000 -14.641) 20.322 ======================= Grid point 175 (81/160) ======================= q-point: ( 0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 3.204 -0.074 7.131) 7.818 1.209 ( -0.219 -5.022 16.383) 17.137 1.406 ( 9.713 -0.257 -1.025) 9.770 1.574 ( 5.599 -0.986 -9.132) 10.757 1.720 ( 6.654 0.201 2.216) 7.016 1.786 ( 1.188 0.031 5.263) 5.396 1.964 ( 3.062 -3.654 0.647) 4.811 2.056 ( -0.679 3.529 2.510) 4.383 2.141 ( 2.778 -2.087 -1.903) 3.962 2.252 ( 4.246 1.582 1.134) 4.671 2.400 ( 2.401 -2.439 -0.558) 3.467 2.507 ( 2.325 0.255 -3.433) 4.154 2.616 ( -1.169 1.768 -2.210) 3.062 2.685 ( 1.162 -0.097 -1.556) 1.944 2.772 ( 0.164 2.721 2.534) 3.722 2.918 ( -0.193 -4.700 0.840) 4.778 3.165 ( 6.297 3.269 -3.659) 7.983 3.308 ( 0.765 -3.055 2.796) 4.212 4.962 ( -3.714 1.509 -0.214) 4.015 5.004 ( -0.312 0.186 0.733) 0.818 5.641 ( -2.067 0.611 2.870) 3.589 5.723 ( -0.601 0.409 -1.175) 1.382 5.945 ( -1.719 0.222 3.951) 4.314 6.165 ( -0.815 1.166 -4.359) 4.585 6.227 ( -3.611 0.793 -2.798) 4.636 6.322 ( -1.085 -1.182 0.526) 1.688 7.660 ( -0.498 -0.593 2.175) 2.308 7.681 ( 0.433 0.404 -1.343) 1.468 8.521 ( -0.837 -0.526 0.309) 1.035 8.612 ( 0.931 -0.484 -1.033) 1.473 13.924 ( -4.050 3.575 2.685) 6.032 13.951 ( -2.464 0.762 1.774) 3.130 15.000 ( -12.002 4.903 -1.303) 13.030 15.160 ( -7.931 -5.789 -4.172) 10.669 17.972 ( -5.069 -0.171 9.027) 10.354 18.663 ( 1.416 1.411 -1.558) 2.535 18.708 ( -19.763 1.793 18.024) 26.808 20.002 ( 4.227 2.714 -2.662) 5.686 20.213 ( 0.126 -0.950 1.158) 1.503 20.549 ( 1.258 0.961 -7.487) 7.652 22.149 ( -5.136 1.786 8.406) 10.011 22.727 ( 5.301 0.246 -7.604) 9.273 45.658 ( -1.570 -0.532 2.221) 2.772 45.826 ( -0.545 1.065 0.973) 1.542 46.144 ( 5.052 -2.554 -0.977) 5.745 46.296 ( 7.561 -1.812 -0.485) 7.790 98.807 ( -2.863 -0.144 2.241) 3.639 98.910 ( -0.179 0.456 3.238) 3.275 99.283 ( 0.916 1.311 0.474) 1.667 99.345 ( 1.315 -1.175 0.798) 1.935 99.642 ( 0.688 2.584 -1.307) 2.977 99.775 ( 4.794 -4.520 -0.429) 6.602 100.257 ( -2.249 -1.069 0.342) 2.513 100.989 ( 7.274 3.006 -13.920) 15.991 ======================= Grid point 176 (82/160) ======================= q-point: ( 0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 5.783 -1.766 4.280) 7.408 1.378 ( 1.949 -6.384 12.221) 13.925 1.521 ( 10.310 0.940 1.652) 10.484 1.587 ( 3.247 -0.719 -6.079) 6.929 1.746 ( 2.974 1.935 -0.192) 3.553 1.812 ( 0.834 1.381 4.640) 4.913 2.003 ( -1.207 -0.388 -0.265) 1.295 2.058 ( 1.117 -1.919 -0.122) 2.224 2.211 ( 3.887 -3.242 -2.033) 5.455 2.325 ( 2.988 1.182 4.369) 5.423 2.363 ( 3.241 4.821 0.236) 5.814 2.547 ( 1.892 -1.020 -1.591) 2.674 2.614 ( -0.742 -2.922 -1.409) 3.328 2.719 ( 0.522 -3.620 -3.363) 4.969 2.745 ( 1.503 2.758 3.207) 4.489 2.985 ( 0.381 -3.244 -0.702) 3.341 3.160 ( 5.599 2.976 -1.913) 6.623 3.321 ( -0.953 2.376 0.391) 2.589 4.915 ( -1.925 0.518 0.127) 1.997 4.997 ( -0.232 0.710 0.499) 0.898 5.618 ( -1.886 0.885 3.043) 3.688 5.710 ( -0.434 0.115 -0.063) 0.453 5.935 ( -1.611 0.634 2.281) 2.864 6.095 ( -2.882 1.990 -3.711) 5.102 6.182 ( -0.896 0.175 -3.897) 4.002 6.336 ( -1.495 -1.756 0.701) 2.411 7.666 ( 0.449 0.685 -1.802) 1.980 7.680 ( -0.963 -0.833 2.798) 3.074 8.526 ( -0.817 -1.025 0.296) 1.344 8.628 ( 0.839 -0.573 -0.489) 1.127 13.805 ( -4.705 6.285 3.290) 8.513 13.931 ( -0.976 0.227 1.328) 1.664 14.782 ( -12.989 3.909 -1.665) 13.666 15.192 ( -6.364 -9.274 -2.547) 11.532 17.965 ( -4.367 -0.176 8.652) 9.693 18.570 ( -13.413 1.127 16.717) 21.463 18.665 ( 0.281 1.155 -1.371) 1.815 19.945 ( 2.311 4.773 -7.744) 9.386 20.255 ( 1.182 -1.608 1.994) 2.821 20.518 ( 1.659 0.714 -6.244) 6.500 22.100 ( -4.524 2.264 8.073) 9.527 22.736 ( 4.924 0.991 -8.396) 9.784 45.666 ( -0.393 -0.659 1.188) 1.414 45.799 ( -0.242 2.142 0.345) 2.183 46.226 ( 3.877 -2.044 -1.292) 4.570 46.411 ( 6.552 -2.622 0.538) 7.078 98.797 ( -1.613 -0.368 1.543) 2.263 98.908 ( -0.086 1.281 2.401) 2.722 99.276 ( 0.503 0.668 0.377) 0.918 99.371 ( 0.518 -0.479 0.898) 1.142 99.605 ( -0.113 1.389 -1.266) 1.883 99.900 ( 5.725 -3.768 0.170) 6.855 100.271 ( -0.319 -1.753 1.341) 2.230 100.922 ( 2.606 4.076 -11.934) 12.877 ======================= Grid point 177 (83/160) ======================= q-point: ( 0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 6.875 -0.821 1.615) 7.110 1.550 ( 1.465 -5.154 9.471) 10.882 1.576 ( 8.932 4.377 0.938) 9.992 1.613 ( 3.772 1.134 -1.428) 4.189 1.760 ( 0.256 -1.266 2.235) 2.581 1.816 ( 1.521 1.430 4.776) 5.212 2.036 ( -0.001 -3.793 -1.634) 4.130 2.080 ( -0.616 -0.972 2.430) 2.688 2.238 ( 1.557 7.338 3.728) 8.377 2.278 ( 1.605 -1.334 -4.097) 4.598 2.395 ( 2.434 1.199 -1.379) 3.043 2.532 ( -2.371 -0.710 -3.960) 4.670 2.663 ( 0.911 0.030 1.453) 1.715 2.716 ( -1.858 -2.583 -0.843) 3.292 2.761 ( 0.816 1.555 0.483) 1.822 3.016 ( -0.823 -0.313 -2.661) 2.803 3.173 ( -0.705 1.247 2.922) 3.254 3.256 ( 5.283 3.451 -2.618) 6.832 4.903 ( -0.530 -0.420 0.180) 0.700 4.982 ( -0.422 0.846 0.306) 0.994 5.609 ( -1.766 -0.165 3.776) 4.172 5.709 ( 0.950 0.294 0.047) 0.995 5.915 ( -1.006 0.684 0.837) 1.476 6.037 ( -1.582 -0.112 -3.025) 3.416 6.157 ( 0.303 0.313 -4.109) 4.132 6.346 ( -2.118 -1.433 0.618) 2.630 7.648 ( 0.689 1.161 -1.596) 2.090 7.697 ( -1.502 -1.256 2.745) 3.372 8.541 ( -0.605 -1.618 0.408) 1.775 8.639 ( 0.511 -0.022 -0.263) 0.575 13.691 ( -2.107 4.096 2.363) 5.176 13.939 ( 1.384 -0.572 0.567) 1.601 14.611 ( -9.899 1.115 -0.180) 9.963 15.271 ( -6.352 -9.425 -1.310) 11.441 17.965 ( -3.888 -0.330 8.911) 9.728 18.517 ( -9.549 -0.384 15.278) 18.021 18.635 ( -0.924 1.397 -0.994) 1.948 19.856 ( 3.573 4.164 -11.475) 12.720 20.287 ( -0.073 -0.510 1.204) 1.309 20.513 ( 2.625 -0.576 -5.023) 5.697 22.066 ( -3.528 1.164 8.193) 8.997 22.721 ( 4.339 1.832 -9.312) 10.435 45.681 ( 0.498 -0.750 0.323) 0.956 45.759 ( 0.151 2.676 -0.043) 2.681 46.274 ( 1.968 -0.597 -0.904) 2.247 46.508 ( 4.117 -1.704 0.755) 4.519 98.795 ( -0.970 -0.278 1.152) 1.531 98.891 ( -0.105 1.657 1.243) 2.074 99.277 ( 0.249 -0.017 0.411) 0.481 99.381 ( -0.029 -0.028 0.669) 0.670 99.587 ( -0.212 0.158 -0.700) 0.748 100.010 ( 6.436 -1.836 -0.062) 6.693 100.308 ( 0.165 -1.477 2.641) 3.031 100.817 ( -0.955 3.666 -10.154) 10.837 ======================= Grid point 178 (84/160) ======================= q-point: (-0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 5.610 4.134 0.445) 6.983 1.505 ( 0.003 8.386 0.612) 8.409 1.653 ( 2.844 -0.204 4.844) 5.621 1.682 ( 5.453 0.283 1.993) 5.813 1.794 ( -0.999 -2.671 2.416) 3.738 1.851 ( 2.868 0.263 3.826) 4.789 2.045 ( -2.598 0.334 1.640) 3.090 2.125 ( -0.011 -1.162 5.524) 5.645 2.193 ( 2.850 1.276 -0.854) 3.237 2.232 ( -4.422 2.613 -5.322) 7.396 2.361 ( 0.010 4.236 1.878) 4.634 2.511 ( -3.195 -2.439 -3.042) 5.041 2.650 ( 2.949 3.536 2.507) 5.242 2.706 ( -1.300 1.229 -2.452) 3.035 2.774 ( 1.207 -1.155 0.784) 1.845 2.925 ( -5.898 3.870 -0.115) 7.055 3.091 ( -4.384 4.024 -0.660) 5.987 3.361 ( 8.547 -4.597 -2.981) 10.153 4.912 ( 0.272 -0.687 0.153) 0.755 4.966 ( -0.679 0.489 0.508) 0.979 5.616 ( -2.406 -1.170 4.284) 5.051 5.722 ( 3.485 0.916 -0.596) 3.652 5.908 ( -0.332 0.017 1.157) 1.204 6.038 ( 0.954 -2.161 -3.550) 4.265 6.144 ( 0.982 -0.400 -3.668) 3.818 6.341 ( -2.818 -0.961 0.414) 3.006 7.632 ( 0.831 1.106 -0.797) 1.596 7.711 ( -1.686 -1.260 2.094) 2.969 8.565 ( -0.474 -1.766 0.415) 1.874 8.636 ( 0.251 0.653 -0.304) 0.763 13.669 ( 2.032 -0.192 1.923) 2.804 13.984 ( 3.760 -1.666 -1.142) 4.268 14.546 ( -5.011 -2.524 2.311) 6.068 15.322 ( -7.509 -6.631 -1.299) 10.102 17.976 ( -3.699 -0.757 9.775) 10.478 18.514 ( -4.963 -1.282 10.514) 11.697 18.600 ( -3.663 0.389 4.224) 5.605 19.794 ( 5.445 2.517 -12.988) 14.307 20.282 ( -1.049 0.615 0.511) 1.319 20.541 ( 3.088 -1.665 -4.847) 5.983 22.064 ( -2.989 -0.486 8.430) 8.957 22.690 ( 4.030 2.029 -9.880) 10.861 45.703 ( 0.892 -0.471 0.041) 1.010 45.723 ( 0.919 1.962 0.127) 2.170 46.277 ( 0.017 1.036 -0.471) 1.138 46.551 ( 1.238 0.214 -0.178) 1.269 98.795 ( -0.496 0.024 1.298) 1.389 98.872 ( -0.159 0.852 0.613) 1.061 99.282 ( 0.099 -0.167 0.405) 0.449 99.380 ( -0.361 0.115 0.411) 0.559 99.587 ( -0.020 -0.510 -0.235) 0.562 100.096 ( 7.597 -0.012 -1.354) 7.717 100.339 ( -0.358 -0.633 3.465) 3.541 100.692 ( -4.324 3.165 -8.636) 10.163 ======================= Grid point 179 (85/160) ======================= q-point: (-0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 4.265 9.812 2.808) 11.061 1.315 ( -5.931 12.007 0.767) 13.414 1.639 ( 1.547 5.582 -4.999) 7.651 1.713 ( 0.356 -0.107 5.429) 5.442 1.851 ( 0.297 -2.999 -0.411) 3.042 1.879 ( -0.203 1.160 1.594) 1.982 1.982 ( -3.701 5.938 4.244) 8.184 2.115 ( -0.147 3.780 2.448) 4.506 2.150 ( 0.971 1.235 2.809) 3.218 2.249 ( 0.775 -4.346 -1.269) 4.593 2.281 ( -3.876 4.152 7.186) 9.159 2.506 ( -2.457 -1.586 -0.703) 3.007 2.625 ( 1.654 4.208 -2.374) 5.107 2.683 ( 0.378 -0.138 0.606) 0.728 2.785 ( -0.704 -0.559 -0.973) 1.325 2.838 ( -3.349 1.989 2.312) 4.530 2.976 ( -3.081 3.165 -1.570) 4.688 3.494 ( 5.319 -4.488 -5.637) 8.956 4.928 ( 0.705 -0.414 -0.055) 0.820 4.965 ( -0.681 -0.990 1.239) 1.725 5.635 ( -2.204 -1.747 3.946) 4.846 5.744 ( 3.947 1.114 -0.891) 4.197 5.908 ( -0.258 0.487 1.539) 1.634 6.083 ( 3.220 -2.489 -3.648) 5.466 6.166 ( 1.842 -2.289 -3.080) 4.257 6.325 ( -3.263 -1.127 0.069) 3.453 7.624 ( 0.893 0.788 0.193) 1.207 7.719 ( -1.678 -0.942 1.205) 2.270 8.586 ( -0.453 -1.188 0.172) 1.283 8.622 ( 0.131 0.976 -0.476) 1.094 13.745 ( 3.885 -3.309 2.194) 5.555 14.049 ( 3.790 -2.356 -3.605) 5.736 14.609 ( 0.746 -5.828 5.487) 8.039 15.313 ( -7.149 -3.506 -2.214) 8.265 17.998 ( -3.977 -1.132 10.766) 11.533 18.522 ( 2.129 0.985 -3.731) 4.407 18.622 ( -9.398 -5.861 21.089) 23.821 19.773 ( 6.863 1.050 -12.709) 14.482 20.258 ( -1.336 0.900 0.622) 1.727 20.576 ( 2.734 -1.685 -6.054) 6.853 22.091 ( -3.097 -1.974 8.475) 9.237 22.659 ( 4.149 1.479 -9.700) 10.654 45.691 ( 0.667 1.740 1.155) 2.193 45.744 ( 1.660 -1.265 -0.043) 2.087 46.242 ( -0.923 2.336 -0.302) 2.530 46.525 ( -1.200 2.335 -2.285) 3.480 98.797 ( -0.079 0.111 1.715) 1.720 98.870 ( -0.478 -0.465 0.859) 1.088 99.286 ( 0.022 -0.001 0.400) 0.401 99.374 ( -0.669 0.114 0.164) 0.699 99.599 ( 0.507 -0.718 0.002) 0.879 100.157 ( 7.457 1.145 -5.084) 9.098 100.352 ( -0.926 0.085 3.544) 3.664 100.546 ( -5.606 3.713 -5.480) 8.674 ======================= Grid point 180 (86/160) ======================= q-point: (-0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -6.514 13.713 2.801) 15.438 1.082 ( 3.227 13.209 8.153) 15.855 1.522 ( -4.124 3.547 -5.765) 7.926 1.724 ( -0.792 3.885 2.267) 4.567 1.762 ( -3.030 6.303 4.372) 8.247 1.835 ( -1.909 7.675 4.063) 8.891 1.924 ( 1.407 -1.168 0.608) 1.927 2.122 ( -1.803 2.177 -1.281) 3.104 2.146 ( 5.327 0.978 2.723) 6.062 2.205 ( -7.417 -1.227 4.495) 8.759 2.340 ( 0.156 -3.516 3.478) 4.948 2.517 ( 1.203 0.065 1.304) 1.775 2.557 ( -0.099 1.593 -2.565) 3.021 2.687 ( -1.614 0.141 -0.104) 1.624 2.754 ( -2.935 1.994 -1.791) 3.975 2.792 ( -1.459 -0.623 -0.387) 1.633 2.962 ( 3.864 0.303 2.967) 4.881 3.544 ( 1.725 -0.551 -7.995) 8.198 4.939 ( 0.842 -0.154 -0.135) 0.866 5.000 ( -0.868 -3.617 1.549) 4.029 5.654 ( -1.806 -1.152 3.048) 3.726 5.760 ( 1.987 0.374 -0.954) 2.235 5.905 ( 0.164 0.656 2.155) 2.258 6.149 ( 4.348 -2.334 -2.655) 5.604 6.216 ( 2.330 -2.534 -3.003) 4.568 6.311 ( -3.136 -1.549 -0.428) 3.524 7.627 ( 0.893 0.453 1.038) 1.442 7.715 ( -1.578 -0.355 0.253) 1.637 8.586 ( -0.461 0.775 -0.033) 0.902 8.612 ( 0.057 -0.098 -0.843) 0.850 13.847 ( 1.696 -3.690 2.354) 4.694 14.096 ( 1.396 -2.350 -5.104) 5.790 14.779 ( 4.234 -7.495 7.819) 11.629 15.285 ( -3.096 -2.125 -2.869) 4.725 18.021 ( -4.890 -0.996 11.325) 12.376 18.515 ( 3.665 0.870 -4.581) 5.930 18.774 ( -11.421 -13.252 25.573) 30.985 19.785 ( 7.576 0.304 -11.113) 13.454 20.237 ( -1.281 0.377 0.986) 1.660 20.591 ( 2.101 -0.978 -7.749) 8.088 22.133 ( -3.700 -2.728 8.160) 9.366 22.646 ( 4.546 0.555 -8.725) 9.854 45.686 ( 0.485 0.707 2.559) 2.699 45.781 ( 1.010 -1.367 -0.024) 1.699 46.191 ( 0.000 2.837 -0.410) 2.866 46.431 ( -2.925 4.657 -5.249) 7.602 98.811 ( 0.262 -0.681 2.300) 2.413 98.880 ( -1.467 -1.237 1.515) 2.445 99.287 ( 0.057 0.210 0.498) 0.543 99.363 ( -1.094 0.193 -0.202) 1.129 99.620 ( 1.313 -0.654 0.119) 1.472 100.104 ( -4.400 4.454 -13.327) 14.724 100.357 ( 0.267 0.586 4.263) 4.311 100.472 ( 5.908 2.344 1.079) 6.447 ======================= Grid point 181 (87/160) ======================= q-point: (-0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -0.319 8.446 11.127) 13.973 0.982 ( 5.186 11.286 13.243) 18.156 1.398 ( -5.103 3.078 -2.848) 6.605 1.552 ( -2.318 12.359 9.159) 15.557 1.714 ( 0.998 5.822 3.702) 6.971 1.776 ( -1.544 -1.788 -2.395) 3.364 1.931 ( 0.138 0.808 -0.960) 1.263 2.047 ( -0.972 3.051 -2.315) 3.952 2.124 ( -3.816 0.294 -0.142) 3.830 2.271 ( 0.150 -5.481 6.316) 8.365 2.381 ( -1.301 -0.945 -1.965) 2.539 2.485 ( 2.132 2.052 -4.740) 5.588 2.579 ( 0.107 -0.520 2.381) 2.439 2.670 ( -1.182 -0.755 1.496) 2.051 2.737 ( 2.343 -1.295 0.224) 2.686 2.788 ( 0.375 -0.516 -1.097) 1.269 3.028 ( 4.008 -0.227 4.387) 5.947 3.465 ( -1.266 6.196 -7.747) 10.000 4.953 ( 1.064 -0.444 0.132) 1.160 5.063 ( -2.733 -5.491 -0.077) 6.134 5.660 ( -1.529 -0.262 2.470) 2.917 5.763 ( -0.338 -0.373 -1.240) 1.338 5.914 ( 0.057 0.046 3.535) 3.536 6.209 ( 3.285 -1.375 -4.575) 5.798 6.255 ( 0.327 -1.518 -0.423) 1.609 6.314 ( -0.198 -1.739 -0.733) 1.898 7.636 ( 0.721 0.358 1.543) 1.740 7.701 ( -1.125 0.104 -0.531) 1.248 8.562 ( -0.626 1.254 -0.034) 1.402 8.611 ( 0.200 -0.018 -1.295) 1.310 13.913 ( -0.699 -2.920 2.013) 3.615 14.097 ( -2.555 -1.215 -4.616) 5.414 14.978 ( 3.195 -7.180 7.500) 10.863 15.296 ( 1.276 -1.707 -2.947) 3.637 18.025 ( -6.054 -0.343 11.082) 12.633 18.538 ( 5.127 -0.144 -3.282) 6.089 19.005 ( -19.302 -19.833 23.846) 36.532 19.820 ( 7.955 0.177 -8.204) 11.429 20.229 ( -1.254 -0.423 1.084) 1.711 20.586 ( 2.270 -0.610 -8.765) 9.075 22.166 ( -4.460 -2.138 7.715) 9.164 22.657 ( 4.801 -0.303 -7.387) 8.815 45.698 ( -1.188 -0.637 3.652) 3.893 45.807 ( 0.400 -1.070 -0.097) 1.146 46.158 ( 2.430 2.412 -0.675) 3.490 46.267 ( -3.625 7.726 -6.616) 10.798 98.846 ( 0.311 -1.683 2.784) 3.268 98.888 ( -3.319 -1.864 2.074) 4.335 99.284 ( -0.266 0.409 0.585) 0.762 99.339 ( -1.258 1.034 -0.821) 1.824 99.646 ( 1.695 -0.357 0.056) 1.733 99.861 ( -7.202 8.111 -9.725) 14.568 100.360 ( -3.189 -0.262 3.787) 4.958 100.598 ( 18.983 -0.410 -2.270) 19.123 ======================= Grid point 184 (88/160) ======================= q-point: ( 0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 7.813 -0.000 3.615) 8.609 1.236 ( 0.255 -0.000 17.091) 17.093 1.498 ( 9.324 -0.000 0.096) 9.324 1.576 ( 3.228 -0.000 -7.161) 7.855 1.816 ( 4.973 -0.000 2.174) 5.428 1.854 ( 4.976 -0.000 4.344) 6.606 1.957 ( 3.108 -0.000 0.449) 3.140 2.090 ( -2.109 0.000 -5.274) 5.680 2.119 ( 1.587 -0.000 1.222) 2.003 2.380 ( 8.461 -0.000 -0.042) 8.461 2.385 ( 5.485 -0.000 3.893) 6.726 2.523 ( 0.459 -0.000 -1.944) 1.998 2.592 ( 0.351 -0.000 -6.961) 6.969 2.688 ( 0.377 -0.000 -0.700) 0.795 2.834 ( -1.249 0.000 3.121) 3.362 2.862 ( 2.908 -0.000 -0.202) 2.915 3.266 ( 8.466 -0.000 -7.051) 11.017 3.294 ( -1.417 0.000 7.353) 7.488 4.931 ( -3.457 0.000 -0.103) 3.459 5.008 ( -0.115 0.000 0.534) 0.546 5.638 ( -2.174 0.000 3.368) 4.009 5.721 ( 0.649 -0.000 -1.652) 1.775 5.942 ( -2.470 0.000 3.977) 4.682 6.154 ( 0.098 -0.000 -4.619) 4.620 6.165 ( -5.760 0.000 -2.451) 6.260 6.294 ( -2.500 0.000 0.467) 2.544 7.658 ( -1.022 0.000 2.443) 2.649 7.683 ( 0.669 -0.000 -1.799) 1.919 8.512 ( -0.852 0.000 0.826) 1.187 8.612 ( 0.954 -0.000 -1.056) 1.423 13.925 ( -1.100 0.000 1.248) 1.664 13.963 ( -3.381 0.000 7.046) 7.816 14.888 ( -15.668 0.000 -8.484) 17.818 14.950 ( -13.260 0.000 -0.269) 13.263 17.962 ( -4.188 0.000 8.577) 9.545 18.594 ( -17.602 0.000 18.371) 25.442 18.684 ( 1.671 -0.000 -4.037) 4.369 20.034 ( -0.265 0.000 -4.063) 4.072 20.226 ( 2.231 -0.000 3.394) 4.062 20.537 ( 1.043 -0.000 -6.353) 6.438 22.147 ( -5.346 0.000 8.481) 10.026 22.749 ( 5.364 -0.000 -8.352) 9.926 45.655 ( -0.128 0.000 1.875) 1.880 45.836 ( -0.210 0.000 0.963) 0.986 46.185 ( 5.964 -0.000 0.016) 5.964 46.362 ( 8.032 -0.000 -1.032) 8.098 98.790 ( -1.854 0.000 1.986) 2.717 98.927 ( -0.156 0.000 3.410) 3.414 99.310 ( 0.242 -0.000 0.960) 0.990 99.348 ( 1.210 -0.000 0.530) 1.321 99.696 ( 0.708 -0.000 -1.143) 1.345 99.759 ( 5.634 -0.000 -1.663) 5.874 100.239 ( 0.098 -0.000 1.293) 1.296 101.004 ( 3.279 -0.000 -13.876) 14.258 ======================= Grid point 185 (89/160) ======================= q-point: ( 0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 9.450 1.117 4.069) 10.349 1.374 ( 3.354 -4.828 13.609) 14.824 1.583 ( 2.331 -0.578 -3.725) 4.432 1.615 ( 8.424 -1.983 1.232) 8.742 1.855 ( 2.824 1.866 2.495) 4.205 1.858 ( 1.910 4.060 2.471) 5.123 2.011 ( 0.724 1.712 -2.062) 2.776 2.032 ( 0.407 -1.975 -0.203) 2.027 2.179 ( 3.253 -3.797 -3.295) 5.988 2.406 ( 1.838 0.607 -1.366) 2.369 2.479 ( 0.821 4.010 1.395) 4.324 2.518 ( 4.929 -2.819 1.032) 5.771 2.588 ( 3.537 1.577 -4.861) 6.215 2.690 ( 0.920 0.023 -0.707) 1.160 2.817 ( 2.084 1.983 2.326) 3.699 2.936 ( 1.876 -3.926 -0.639) 4.398 3.255 ( 1.831 3.644 1.524) 4.353 3.342 ( 2.636 -0.258 -2.098) 3.378 4.900 ( -1.855 0.135 0.066) 1.861 5.003 ( -0.393 0.365 0.100) 0.545 5.625 ( -2.215 0.661 3.737) 4.394 5.721 ( 1.761 0.621 -1.167) 2.202 5.931 ( -2.506 0.056 2.849) 3.794 6.073 ( -4.435 1.855 -2.620) 5.475 6.146 ( -0.434 -0.978 -4.310) 4.441 6.279 ( -3.452 -1.939 0.412) 3.981 7.661 ( -1.254 -0.522 2.004) 2.421 7.679 ( 0.451 0.359 -1.400) 1.514 8.509 ( -0.842 -0.342 1.054) 1.392 8.624 ( 0.886 -0.607 -0.706) 1.285 13.887 ( -2.413 5.915 4.794) 7.987 13.947 ( -0.352 0.753 4.155) 4.237 14.650 ( -15.903 1.868 -5.246) 16.850 14.900 ( -13.185 -11.014 -2.883) 17.420 17.960 ( -3.622 -0.058 8.252) 9.012 18.512 ( -12.979 0.016 17.615) 21.880 18.668 ( 0.202 0.554 -4.914) 4.949 19.972 ( -1.363 2.304 -8.102) 8.533 20.275 ( 2.331 -0.113 4.576) 5.136 20.519 ( 1.549 0.470 -5.020) 5.275 22.117 ( -4.953 1.393 8.055) 9.558 22.761 ( 4.976 0.545 -9.103) 10.389 45.667 ( 0.634 -0.169 1.175) 1.345 45.827 ( -0.046 1.257 0.220) 1.277 46.253 ( 5.159 -0.517 0.175) 5.188 46.451 ( 6.955 -1.302 -0.686) 7.109 98.785 ( -1.049 -0.237 1.565) 1.899 98.935 ( -0.254 0.727 2.768) 2.873 99.300 ( 0.009 1.261 0.564) 1.381 99.368 ( 0.178 -0.748 0.560) 0.951 99.650 ( 1.132 3.676 -1.263) 4.049 99.875 ( 5.438 -5.543 -1.902) 7.995 100.266 ( 1.386 -0.835 3.145) 3.537 100.941 ( 0.875 2.855 -12.058) 12.423 ======================= Grid point 186 (90/160) ======================= q-point: ( 0.44 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 9.772 0.750 2.230) 10.052 1.548 ( 2.502 -4.377 12.834) 13.789 1.615 ( 3.433 -1.872 -2.432) 4.605 1.715 ( 3.745 -0.120 0.848) 3.841 1.817 ( 2.172 5.897 2.960) 6.946 1.871 ( 2.050 -1.262 4.565) 5.161 1.997 ( 1.501 -0.729 -1.729) 2.403 2.073 ( 0.904 -0.863 1.152) 1.700 2.237 ( 0.377 -1.592 -6.721) 6.917 2.373 ( -3.289 -0.280 -2.391) 4.076 2.434 ( 5.535 7.240 1.885) 9.306 2.544 ( 2.450 2.915 -2.723) 4.682 2.619 ( 1.969 -3.109 -1.764) 4.081 2.690 ( 0.402 0.355 0.684) 0.869 2.829 ( 2.397 1.702 2.605) 3.928 2.996 ( 0.801 -1.304 -1.652) 2.252 3.203 ( -3.720 3.616 3.440) 6.225 3.342 ( 5.144 2.281 -4.408) 7.148 4.891 ( -0.493 -0.486 0.222) 0.727 4.989 ( -0.646 0.669 -0.239) 0.961 5.608 ( -2.381 0.601 4.333) 4.980 5.736 ( 3.480 0.247 -0.827) 3.586 5.914 ( -1.700 0.312 1.225) 2.118 6.004 ( -2.700 0.331 -1.609) 3.160 6.138 ( 0.176 -0.600 -4.446) 4.490 6.280 ( -4.069 -2.704 0.088) 4.886 7.663 ( 0.633 0.239 -1.459) 1.609 7.673 ( -1.764 -0.522 2.154) 2.832 8.517 ( -0.592 -0.983 1.167) 1.637 8.639 ( 0.608 -0.459 -0.415) 0.868 13.774 ( -1.237 6.535 4.102) 7.814 13.969 ( 2.812 0.288 2.340) 3.669 14.474 ( -12.696 -1.544 -2.367) 13.007 14.964 ( -12.254 -14.329 -2.267) 18.990 17.962 ( -3.402 -0.175 8.412) 9.076 18.478 ( -9.577 -0.702 16.970) 19.499 18.630 ( -0.739 0.794 -5.046) 5.161 19.880 ( 0.519 2.491 -11.682) 11.956 20.308 ( 1.222 0.893 3.816) 4.105 20.516 ( 2.496 -0.012 -3.815) 4.559 22.082 ( -4.194 1.280 7.829) 8.974 22.751 ( 4.334 1.484 -9.849) 10.863 45.684 ( 1.088 -0.320 0.457) 1.222 45.800 ( 0.150 2.064 -0.401) 2.108 46.302 ( 3.463 0.494 0.452) 3.528 46.531 ( 4.341 -1.099 -0.464) 4.502 98.788 ( -0.540 -0.311 1.280) 1.423 98.921 ( -0.527 1.598 1.507) 2.259 99.287 ( 0.159 0.623 0.464) 0.793 99.377 ( -0.497 -0.386 0.285) 0.690 99.612 ( 1.244 2.289 -0.144) 2.610 100.007 ( 5.133 -5.025 -3.279) 7.896 100.314 ( 1.082 -0.887 4.686) 4.891 100.831 ( -0.476 4.702 -9.601) 10.701 ======================= Grid point 187 (91/160) ======================= q-point: (-0.44 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 6.754 3.018 -0.102) 7.398 1.629 ( 0.570 4.021 1.057) 4.197 1.673 ( 0.722 -2.133 5.247) 5.710 1.749 ( 0.191 -0.080 -1.466) 1.480 1.773 ( 2.184 0.555 10.159) 10.406 1.955 ( 6.380 1.706 2.849) 7.193 2.036 ( 0.006 1.033 -0.194) 1.051 2.082 ( -0.729 -2.245 0.006) 2.360 2.154 ( -6.175 -0.998 -6.723) 9.183 2.341 ( 3.043 5.749 2.168) 6.857 2.419 ( 3.300 0.445 -0.326) 3.346 2.497 ( 1.623 4.911 -0.958) 5.260 2.653 ( 0.163 -1.717 -3.126) 3.570 2.719 ( 2.069 -1.012 1.854) 2.957 2.827 ( 1.662 3.094 1.586) 3.854 2.944 ( -3.769 4.526 0.373) 5.902 3.100 ( -5.303 3.996 0.679) 6.674 3.369 ( 5.097 -1.381 -4.632) 7.025 4.903 ( 0.248 -0.914 0.361) 1.013 4.968 ( -0.904 0.663 -0.198) 1.138 5.598 ( -2.574 -0.158 4.659) 5.325 5.775 ( 4.948 0.369 -1.395) 5.154 5.904 ( -1.127 -0.259 1.408) 1.822 5.998 ( 0.473 -2.060 -1.237) 2.450 6.130 ( 0.646 -0.522 -4.296) 4.375 6.274 ( -4.466 -2.304 -0.512) 5.052 7.654 ( 0.885 0.948 -0.920) 1.590 7.678 ( -2.058 -1.403 1.820) 3.085 8.537 ( -0.358 -1.459 1.130) 1.880 8.645 ( 0.399 0.168 -0.357) 0.561 13.723 ( 2.250 2.454 3.206) 4.622 14.011 ( 3.847 -0.124 -0.009) 3.849 14.422 ( -6.516 -5.464 1.457) 8.628 15.044 ( -12.051 -12.812 -2.534) 17.771 17.971 ( -3.464 -0.524 9.127) 9.776 18.485 ( -6.896 -1.636 16.378) 17.846 18.586 ( -1.340 0.688 -3.856) 4.139 19.809 ( 2.988 1.259 -13.576) 13.958 20.309 ( 0.650 1.974 2.724) 3.426 20.535 ( 2.994 -0.696 -3.594) 4.729 22.063 ( -3.861 0.214 7.826) 8.730 22.719 ( 3.983 2.031 -10.358) 11.282 45.706 ( 1.309 -0.624 0.083) 1.453 45.766 ( 0.394 2.134 -0.386) 2.204 46.313 ( 1.799 1.974 0.885) 2.814 46.564 ( 1.148 0.337 -1.137) 1.651 98.795 ( -0.211 -0.290 1.394) 1.440 98.893 ( -0.529 1.600 0.533) 1.767 99.287 ( 0.268 0.128 0.590) 0.661 99.374 ( -0.801 -0.160 -0.057) 0.819 99.600 ( 1.222 1.085 0.932) 1.881 100.105 ( 3.752 -3.811 -5.991) 8.031 100.354 ( 0.269 -0.314 5.358) 5.374 100.702 ( -0.615 5.755 -6.567) 8.754 ======================= Grid point 188 (92/160) ======================= q-point: (-0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 1.350 5.743 0.036) 5.900 1.485 ( -0.803 11.622 0.298) 11.654 1.693 ( -4.861 1.647 -1.607) 5.378 1.747 ( 2.410 1.881 -0.497) 3.097 1.827 ( -1.075 0.908 2.948) 3.266 1.899 ( -2.289 1.189 2.644) 3.694 2.010 ( -0.217 -0.570 3.362) 3.416 2.123 ( -0.139 1.023 0.171) 1.046 2.190 ( 0.566 -4.703 2.749) 5.477 2.290 ( 4.041 5.106 2.940) 7.144 2.399 ( 1.487 8.229 3.002) 8.885 2.468 ( 1.521 -1.588 -0.286) 2.217 2.668 ( 0.733 -0.955 -2.006) 2.339 2.713 ( -0.545 6.281 -1.395) 6.457 2.786 ( 1.192 0.095 1.576) 1.978 2.844 ( -5.273 3.692 0.923) 6.503 3.004 ( 0.095 2.698 0.391) 2.728 3.430 ( 1.720 -4.281 -6.417) 7.904 4.924 ( 0.565 -0.879 0.323) 1.093 4.952 ( -0.966 -0.020 0.357) 1.030 5.603 ( -2.333 -1.149 4.349) 5.067 5.801 ( 3.835 1.437 -2.064) 4.586 5.906 ( -1.391 -0.634 1.841) 2.393 6.063 ( 3.987 -3.258 -0.935) 5.233 6.139 ( 1.663 -1.661 -3.757) 4.432 6.254 ( -4.641 -1.882 -1.054) 5.118 7.647 ( 0.344 0.667 0.641) 0.987 7.687 ( -1.349 -1.235 0.533) 1.905 8.562 ( -0.283 -1.383 0.756) 1.601 8.638 ( 0.308 0.840 -0.424) 0.990 13.761 ( 2.877 -1.025 3.353) 4.536 14.043 ( 2.401 -0.730 -3.389) 4.217 14.521 ( 0.005 -8.414 6.188) 10.444 15.093 ( -9.113 -9.959 -4.149) 14.123 17.988 ( -3.864 -0.894 9.983) 10.742 18.527 ( -1.034 -1.395 5.212) 5.494 18.556 ( -5.690 -1.486 9.524) 11.193 19.781 ( 4.873 -0.305 -13.747) 14.588 20.290 ( 0.630 2.560 2.141) 3.396 20.560 ( 2.715 -0.782 -4.804) 5.574 22.064 ( -4.090 -1.146 7.825) 8.903 22.683 ( 4.135 1.702 -10.257) 11.189 45.724 ( 0.741 0.542 0.375) 0.991 45.747 ( 0.718 0.139 -0.062) 0.734 46.291 ( 1.261 3.178 1.231) 3.634 46.533 ( -1.541 2.142 -2.726) 3.794 98.804 ( -0.159 -0.136 1.796) 1.808 98.871 ( -0.325 0.686 0.296) 0.815 99.291 ( 0.237 0.084 0.753) 0.794 99.365 ( -0.952 -0.045 -0.386) 1.028 99.610 ( 1.462 0.253 1.695) 2.253 100.134 ( -1.081 -1.768 -9.952) 10.166 100.375 ( -1.026 0.347 5.046) 5.161 100.598 ( 3.801 5.457 -2.706) 7.180 ======================= Grid point 189 (93/160) ======================= q-point: (-0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -5.294 11.598 0.947) 12.785 1.327 ( 1.948 9.377 4.332) 10.511 1.542 ( -2.397 6.914 -4.794) 8.748 1.723 ( -4.674 -0.440 -3.355) 5.770 1.783 ( -0.274 2.678 0.355) 2.716 1.928 ( -0.983 -0.855 5.341) 5.498 2.018 ( 0.038 3.739 3.597) 5.188 2.085 ( -2.054 1.854 3.314) 4.317 2.196 ( -1.826 1.415 3.536) 4.224 2.276 ( -1.132 8.594 6.186) 10.649 2.343 ( 4.761 -0.491 0.598) 4.823 2.537 ( 2.353 -3.054 2.743) 4.731 2.601 ( 1.051 4.386 -0.688) 4.562 2.687 ( 0.209 1.956 -2.235) 2.978 2.718 ( -2.284 1.954 -1.460) 3.342 2.805 ( 1.645 0.661 -0.847) 1.964 3.020 ( 3.734 0.069 2.348) 4.412 3.465 ( -1.866 -4.031 -8.128) 9.263 4.940 ( 0.202 -0.367 -0.016) 0.419 4.959 ( -0.746 -1.505 1.189) 2.058 5.620 ( -2.292 -1.598 3.536) 4.507 5.792 ( 1.107 1.823 -1.657) 2.701 5.911 ( -0.945 -0.633 1.861) 2.182 6.155 ( 5.233 -1.844 -3.244) 6.427 6.186 ( 2.726 -3.065 -1.269) 4.294 6.232 ( -4.465 -2.504 -1.070) 5.230 7.647 ( 0.168 0.225 1.627) 1.651 7.691 ( -0.941 -0.627 -0.285) 1.166 8.578 ( -0.388 -0.657 0.101) 0.770 8.623 ( 0.331 1.073 -0.393) 1.190 13.818 ( -0.879 -2.416 3.358) 4.229 14.057 ( 0.963 -0.929 -4.969) 5.146 14.708 ( 0.101 -9.487 8.919) 13.022 15.153 ( -0.913 -7.558 -5.471) 9.375 18.005 ( -4.709 -0.849 10.409) 11.456 18.531 ( 2.590 -0.278 -5.112) 5.738 18.627 ( -9.383 -5.815 23.107) 25.609 19.793 ( 5.930 -1.552 -12.648) 14.055 20.265 ( 0.727 2.554 1.822) 3.220 20.569 ( 2.046 -0.416 -6.647) 6.967 22.082 ( -4.631 -2.306 7.724) 9.297 22.665 ( 4.642 0.733 -9.442) 10.547 45.715 ( 0.064 1.117 1.563) 1.922 45.765 ( 0.048 -1.315 -0.180) 1.328 46.260 ( 2.316 3.662 1.363) 4.542 46.443 ( -2.831 3.914 -4.705) 6.744 98.814 ( -0.216 -0.360 2.217) 2.256 98.865 ( -0.571 -0.054 0.612) 0.839 99.295 ( 0.050 0.217 1.005) 1.029 99.353 ( -0.828 0.090 -0.646) 1.053 99.637 ( 1.925 -0.116 2.159) 2.895 100.032 ( -6.780 2.548 -11.241) 13.372 100.369 ( -2.453 0.584 4.219) 4.915 100.612 ( 11.270 1.955 -1.808) 11.581 ======================= Grid point 190 (94/160) ======================= q-point: (-0.11 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -0.899 7.938 7.106) 10.692 1.237 ( 2.274 8.481 8.619) 12.303 1.411 ( -0.769 5.336 -2.188) 5.818 1.645 ( -0.653 1.606 -9.374) 9.533 1.758 ( -1.470 1.036 4.415) 4.767 1.859 ( -6.172 6.053 1.590) 8.790 1.974 ( 3.755 4.576 5.232) 7.900 2.061 ( -2.114 0.679 -0.218) 2.231 2.163 ( 2.595 6.988 5.209) 9.094 2.221 ( -3.427 -2.692 7.628) 8.785 2.368 ( 0.240 0.374 -2.559) 2.597 2.537 ( 1.333 2.842 -2.750) 4.173 2.590 ( -0.529 0.620 1.170) 1.426 2.661 ( 0.466 -1.223 1.111) 1.717 2.750 ( 4.961 0.353 0.406) 4.990 2.813 ( 5.701 0.184 -1.895) 6.010 3.073 ( 2.454 -0.680 2.210) 3.372 3.438 ( -3.911 -1.041 -7.960) 8.930 4.948 ( -0.383 -0.877 0.133) 0.966 4.984 ( -1.169 -2.049 1.029) 2.574 5.634 ( -2.436 -1.382 2.764) 3.935 5.761 ( -0.808 1.206 -0.767) 1.641 5.923 ( -0.536 -0.521 2.353) 2.469 6.186 ( 0.470 -1.364 -5.979) 6.151 6.222 ( -0.981 -2.058 -0.680) 2.379 6.283 ( 3.056 -2.802 0.462) 4.172 7.656 ( 0.203 0.064 2.049) 2.061 7.685 ( -0.678 -0.099 -0.767) 1.029 8.570 ( -0.724 0.764 -0.309) 1.097 8.614 ( 0.623 0.449 -0.429) 0.880 13.852 ( -3.679 -3.427 2.777) 5.744 14.037 ( -2.452 -0.088 -4.024) 4.713 14.885 ( -2.815 -9.423 7.371) 12.290 15.250 ( 4.358 -3.960 -4.826) 7.613 18.006 ( -5.615 -0.302 10.125) 11.582 18.559 ( 3.792 -1.364 -3.426) 5.289 18.726 ( -13.902 -7.929 23.641) 28.549 19.839 ( 6.435 -2.442 -10.162) 12.273 20.243 ( 0.621 1.994 1.427) 2.530 20.560 ( 1.704 -0.397 -7.978) 8.168 22.106 ( -5.120 -2.810 7.597) 9.583 22.672 ( 5.114 -0.196 -8.251) 9.710 45.704 ( -1.307 0.813 2.465) 2.906 45.785 ( -0.469 -1.610 -0.151) 1.683 46.241 ( 3.528 3.443 0.814) 4.997 46.316 ( -1.261 5.619 -5.222) 7.773 98.831 ( -1.106 -0.891 2.754) 3.098 98.864 ( -0.547 -0.390 1.042) 1.240 99.289 ( -0.914 0.598 0.764) 1.333 99.342 ( 0.247 0.359 -0.317) 0.539 99.664 ( 0.850 0.354 1.531) 1.787 99.859 ( -3.959 4.486 -7.404) 9.519 100.345 ( -3.105 0.765 2.903) 4.319 100.733 ( 13.667 -1.834 -5.448) 14.827 ======================= Grid point 194 (95/160) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 10.294 -0.000 4.355) 11.177 1.437 ( 4.512 -0.000 14.275) 14.971 1.586 ( 1.100 -0.000 -0.297) 1.140 1.678 ( 5.825 -0.000 1.541) 6.026 1.879 ( -2.713 0.000 3.504) 4.432 1.945 ( 3.129 -0.000 1.602) 3.515 2.002 ( -1.137 0.000 -3.901) 4.063 2.039 ( 2.917 -0.000 -0.486) 2.957 2.164 ( 4.881 -0.000 -4.339) 6.531 2.358 ( -4.380 0.000 -2.594) 5.090 2.511 ( 1.877 -0.000 -0.302) 1.902 2.578 ( 5.793 -0.000 -5.896) 8.266 2.672 ( 6.550 -0.000 3.102) 7.247 2.714 ( 1.390 -0.000 2.081) 2.502 2.874 ( 3.628 -0.000 -0.244) 3.637 2.904 ( 1.358 -0.000 -0.615) 1.490 3.290 ( -3.626 0.000 3.459) 5.011 3.373 ( 6.741 -0.000 -5.426) 8.653 4.884 ( -1.101 0.000 0.113) 1.107 5.000 ( -0.599 0.000 -0.463) 0.757 5.625 ( -2.210 0.000 4.239) 4.780 5.749 ( 3.535 -0.000 -1.786) 3.960 5.913 ( -3.230 0.000 3.074) 4.459 6.030 ( -4.497 0.000 -1.413) 4.713 6.117 ( 0.504 -0.000 -4.883) 4.909 6.218 ( -4.688 0.000 0.050) 4.688 7.650 ( -1.861 0.000 2.424) 3.056 7.680 ( 0.784 -0.000 -2.106) 2.247 8.504 ( -0.872 0.000 1.677) 1.890 8.625 ( 1.018 -0.000 -0.694) 1.232 13.961 ( -4.138 0.000 9.225) 10.110 13.967 ( 3.169 -0.000 2.710) 4.170 14.483 ( -13.247 0.000 -7.741) 15.343 14.613 ( -16.000 0.000 -2.451) 16.187 17.960 ( -3.213 0.000 7.870) 8.501 18.467 ( -10.408 0.000 17.495) 20.357 18.643 ( -0.706 0.000 -6.471) 6.510 19.924 ( -2.377 0.000 -10.460) 10.727 20.327 ( 2.067 -0.000 6.055) 6.398 20.520 ( 1.885 -0.000 -3.699) 4.152 22.110 ( -5.100 0.000 7.832) 9.346 22.774 ( 4.765 -0.000 -9.925) 11.009 45.680 ( 0.890 -0.000 0.918) 1.279 45.835 ( -0.259 0.000 -0.510) 0.572 46.309 ( 5.030 -0.000 1.121) 5.153 46.508 ( 6.219 -0.000 -1.253) 6.344 98.782 ( -0.559 0.000 1.511) 1.611 98.949 ( -0.610 0.000 2.316) 2.395 99.308 ( -0.897 0.000 0.481) 1.017 99.364 ( 0.007 -0.000 0.202) 0.202 99.693 ( 0.840 -0.000 -1.529) 1.745 99.871 ( 5.958 -0.000 -2.626) 6.511 100.297 ( 1.563 -0.000 5.020) 5.257 100.919 ( 0.718 -0.000 -10.925) 10.949 ======================= Grid point 195 (96/160) ======================= q-point: ( 0.44 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 8.840 1.858 4.552) 10.115 1.573 ( 2.476 -3.113 9.632) 10.421 1.612 ( 0.197 -0.973 6.751) 6.824 1.743 ( 2.386 -0.971 0.335) 2.598 1.858 ( -1.384 -1.379 2.523) 3.191 1.932 ( 0.573 4.112 1.783) 4.519 1.994 ( 0.573 -0.550 -1.820) 1.985 2.068 ( 0.479 -1.466 -1.779) 2.355 2.211 ( 4.414 -0.033 -6.390) 7.766 2.320 ( -1.136 -0.583 -1.187) 1.744 2.517 ( -0.201 -0.424 -1.671) 1.736 2.606 ( 5.650 0.734 -4.871) 7.496 2.690 ( 3.727 5.180 1.883) 6.654 2.728 ( 2.343 1.881 2.525) 3.925 2.877 ( 1.415 1.250 0.592) 1.978 2.970 ( 1.630 -2.897 -0.444) 3.354 3.231 ( -4.331 3.231 1.591) 5.633 3.399 ( 4.367 1.383 -5.416) 7.094 4.881 ( -0.169 -0.374 0.329) 0.526 4.987 ( -0.846 0.338 -0.922) 1.296 5.616 ( -2.324 0.737 4.748) 5.338 5.781 ( 4.873 0.400 -1.663) 5.164 5.896 ( -2.991 -0.488 2.314) 3.813 5.981 ( -1.708 0.641 -0.920) 2.043 6.105 ( -0.268 -0.776 -4.194) 4.273 6.188 ( -4.442 -2.393 -0.869) 5.120 7.644 ( -2.105 -0.601 2.154) 3.071 7.677 ( 0.888 0.383 -1.896) 2.129 8.507 ( -0.603 -0.405 1.949) 2.080 8.637 ( 0.909 -0.389 -0.543) 1.128 13.890 ( -3.149 6.373 6.802) 9.838 14.021 ( 4.079 0.331 2.595) 4.846 14.312 ( -10.027 -0.046 -3.706) 10.690 14.584 ( -12.354 -13.788 -3.213) 18.790 17.963 ( -3.128 -0.070 7.902) 8.499 18.454 ( -8.023 -0.459 17.617) 19.363 18.599 ( -1.126 0.156 -7.022) 7.114 19.843 ( -0.809 0.663 -13.221) 13.262 20.364 ( 1.278 1.115 5.629) 5.879 20.529 ( 2.647 0.069 -2.538) 3.668 22.086 ( -4.770 0.745 7.709) 9.096 22.768 ( 4.189 0.847 -10.581) 11.411 45.693 ( 0.824 -0.160 0.543) 0.999 45.819 ( -0.405 0.953 -1.162) 1.556 46.358 ( 3.759 0.773 1.631) 4.170 46.561 ( 3.933 -0.244 -1.353) 4.166 98.786 ( -0.225 -0.174 1.502) 1.529 98.940 ( -1.221 0.931 1.141) 1.913 99.297 ( -0.335 0.403 0.469) 0.703 99.365 ( -0.566 -0.318 -0.037) 0.650 99.671 ( 1.576 2.829 -0.260) 3.248 99.955 ( 3.971 -4.490 -4.265) 7.357 100.338 ( 0.524 -0.425 6.106) 6.143 100.859 ( 1.676 3.133 -8.971) 9.649 ======================= Grid point 196 (97/160) ======================= q-point: ( 0.56 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 4.859 3.635 2.143) 6.435 1.618 ( -5.618 -1.608 5.595) 8.090 1.684 ( 1.235 -1.982 8.990) 9.288 1.786 ( 4.881 1.463 -2.858) 5.842 1.853 ( -3.405 3.047 8.825) 9.938 1.933 ( -3.305 -4.552 0.660) 5.663 2.025 ( 2.466 -2.882 0.082) 3.794 2.047 ( -3.202 0.592 -6.279) 7.073 2.173 ( 6.321 5.460 -3.935) 9.233 2.352 ( 1.484 -2.117 -0.517) 2.636 2.506 ( -0.810 0.788 -0.364) 1.187 2.611 ( 4.823 5.116 -1.049) 7.109 2.665 ( 4.395 2.135 -2.077) 5.309 2.731 ( 1.004 0.465 1.075) 1.542 2.868 ( -1.264 1.131 1.496) 2.261 2.980 ( -1.149 2.476 1.304) 3.025 3.126 ( -3.249 4.418 0.507) 5.507 3.380 ( 1.684 1.261 -6.030) 6.386 4.894 ( 0.391 -0.798 0.613) 1.080 4.965 ( -1.056 0.497 -0.974) 1.520 5.600 ( -2.306 0.744 5.018) 5.572 5.825 ( 5.088 0.175 -1.650) 5.352 5.883 ( -2.799 -0.705 1.497) 3.252 5.982 ( 1.874 -1.090 0.221) 2.180 6.097 ( -0.750 -1.335 -3.549) 3.866 6.182 ( -3.151 -2.601 -2.279) 4.678 7.642 ( -2.488 -0.926 1.992) 3.318 7.673 ( 1.351 0.435 -1.547) 2.099 8.523 ( -0.219 -0.921 1.938) 2.156 8.648 ( 0.718 -0.163 -0.513) 0.898 13.808 ( -0.959 3.878 5.036) 6.428 14.053 ( 3.190 1.334 -0.919) 3.578 14.280 ( -3.899 -5.859 2.441) 7.449 14.688 ( -8.393 -14.353 -3.943) 17.089 17.970 ( -3.253 -0.286 8.488) 9.094 18.473 ( -6.118 -1.102 17.932) 18.979 18.554 ( -1.076 0.003 -6.451) 6.540 19.776 ( 1.721 -0.014 -15.058) 15.156 20.371 ( 0.964 2.188 4.333) 4.949 20.549 ( 3.077 0.030 -2.234) 3.803 22.061 ( -4.516 0.613 7.814) 9.046 22.740 ( 3.732 1.579 -10.976) 11.700 45.708 ( 0.634 -0.512 0.333) 0.880 45.790 ( -0.449 1.333 -1.232) 1.870 46.377 ( 2.361 2.001 2.022) 3.697 46.577 ( 0.859 0.742 -1.796) 2.125 98.796 ( -0.024 -0.270 1.718) 1.739 98.909 ( -1.328 1.293 0.134) 1.859 99.295 ( 0.227 0.191 0.720) 0.778 99.360 ( -0.890 -0.227 -0.342) 0.980 99.649 ( 1.556 2.241 1.388) 3.061 100.030 ( 0.987 -4.276 -6.958) 8.227 100.372 ( -0.844 -0.392 6.190) 6.259 100.783 ( 3.817 5.265 -6.475) 9.178 ======================= Grid point 197 (98/160) ======================= q-point: (-0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -1.956 5.858 1.460) 6.346 1.610 ( -3.599 -0.890 3.041) 4.795 1.655 ( -4.315 8.148 -0.438) 9.231 1.781 ( 2.223 -1.561 3.131) 4.145 1.835 ( -7.341 4.405 -4.998) 9.914 1.884 ( -2.440 -0.943 9.909) 10.249 2.022 ( 1.651 0.070 -1.525) 2.248 2.129 ( 1.207 -4.978 2.430) 5.669 2.179 ( 5.774 1.495 -1.084) 6.062 2.370 ( -0.777 1.820 1.252) 2.341 2.483 ( 0.407 0.437 0.783) 0.984 2.552 ( 2.929 6.360 -0.165) 7.004 2.668 ( 0.735 1.246 -3.422) 3.715 2.745 ( 1.563 -0.507 -2.761) 3.213 2.818 ( -3.386 1.949 3.018) 4.937 2.904 ( 0.327 6.459 3.342) 7.279 3.061 ( 1.728 2.667 0.373) 3.199 3.352 ( -1.455 -1.340 -6.772) 7.055 4.917 ( 0.539 -0.955 0.777) 1.344 4.944 ( -0.984 0.221 -0.517) 1.133 5.594 ( -1.870 0.072 4.789) 5.142 5.847 ( 2.026 1.258 -1.888) 3.042 5.876 ( -2.385 -1.213 1.015) 2.861 6.054 ( 3.306 -3.449 1.710) 5.075 6.111 ( 2.129 -1.848 -3.501) 4.495 6.175 ( -2.248 -1.605 -3.329) 4.326 7.637 ( -2.397 -0.819 1.694) 3.047 7.680 ( 1.532 0.051 -0.857) 1.756 8.546 ( 0.015 -1.066 1.569) 1.897 8.651 ( 0.544 0.421 -0.623) 0.928 13.786 ( -2.015 0.525 4.556) 5.009 14.057 ( 4.178 1.150 -3.792) 5.759 14.398 ( -3.573 -9.422 7.305) 12.446 14.828 ( 0.317 -12.187 -5.791) 13.496 17.981 ( -3.633 -0.536 9.252) 9.954 18.518 ( -0.313 -1.137 1.867) 2.208 18.523 ( -5.423 -1.068 11.697) 12.938 19.746 ( 3.874 -1.251 -15.515) 16.040 20.358 ( 1.021 2.837 3.126) 4.343 20.566 ( 2.784 0.297 -3.342) 4.360 22.044 ( -4.507 -0.075 7.997) 9.180 22.703 ( 3.751 1.551 -10.891) 11.623 45.725 ( 0.016 -0.813 0.303) 0.868 45.760 ( -0.508 1.155 -0.732) 1.459 46.369 ( 1.993 2.912 2.386) 4.260 46.538 ( -1.688 2.190 -2.798) 3.934 98.807 ( -0.264 -0.163 2.010) 2.034 98.880 ( -0.733 0.831 -0.189) 1.124 99.300 ( 0.248 0.134 0.974) 1.014 99.351 ( -0.883 -0.138 -0.640) 1.099 99.648 ( 1.505 1.060 2.758) 3.316 100.035 ( -2.850 -1.976 -9.255) 9.883 100.384 ( -2.242 0.225 5.277) 5.738 100.731 ( 7.325 5.018 -4.389) 9.904 ======================= Grid point 198 (99/160) ======================= q-point: (-0.22 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -7.244 8.276 0.074) 10.999 1.477 ( -0.599 8.176 0.433) 8.209 1.604 ( -2.678 0.234 1.121) 2.912 1.673 ( -4.231 5.443 -0.526) 6.914 1.807 ( -0.507 1.053 0.130) 1.176 1.904 ( -5.285 -0.891 8.848) 10.344 2.029 ( 1.272 -0.256 -1.427) 1.929 2.177 ( 0.480 3.266 4.475) 5.561 2.200 ( -0.496 0.819 2.223) 2.420 2.314 ( -2.779 0.793 0.991) 3.055 2.489 ( 3.982 6.036 -0.938) 7.292 2.517 ( -0.625 -2.491 2.101) 3.318 2.600 ( -3.305 0.580 -2.021) 3.917 2.716 ( -0.201 3.402 -3.106) 4.611 2.829 ( 6.323 0.149 0.545) 6.348 2.854 ( 4.957 5.324 3.155) 7.929 3.063 ( 2.271 0.763 0.788) 2.522 3.326 ( -4.782 -3.512 -7.292) 9.401 4.933 ( -0.637 -0.155 -0.130) 0.668 4.942 ( 0.203 -0.983 1.002) 1.418 5.600 ( -1.628 -0.450 4.057) 4.395 5.815 ( -1.709 1.666 -0.888) 2.546 5.884 ( -1.079 -1.663 0.587) 2.068 6.138 ( -1.167 -3.427 -0.528) 3.658 6.152 ( 1.504 -0.673 -5.879) 6.106 6.187 ( 5.097 -2.644 0.890) 5.811 7.636 ( -1.809 -0.996 1.300) 2.440 7.691 ( 1.235 0.213 -0.064) 1.255 8.568 ( 0.106 -0.688 0.877) 1.120 8.641 ( 0.326 0.921 -0.631) 1.163 13.772 ( -5.047 -1.218 3.393) 6.202 14.060 ( 2.779 1.717 -4.044) 5.199 14.546 ( -5.882 -11.348 7.454) 14.797 15.036 ( 9.951 -9.349 -4.953) 14.525 17.991 ( -4.354 -0.517 9.622) 10.574 18.514 ( 0.772 -1.241 -3.792) 4.064 18.583 ( -6.354 -2.328 20.048) 21.159 19.754 ( 5.119 -2.471 -14.851) 15.902 20.334 ( 1.075 3.105 2.094) 3.896 20.564 ( 2.041 0.705 -5.221) 5.649 22.041 ( -4.555 -0.975 8.124) 9.365 22.678 ( 4.188 0.670 -10.218) 11.063 45.733 ( -0.502 0.254 0.499) 0.752 45.739 ( -1.207 -0.504 -0.196) 1.323 46.355 ( 2.592 3.346 2.513) 4.923 46.455 ( -2.206 3.308 -3.797) 5.498 98.813 ( -0.802 -0.247 1.954) 2.127 98.866 ( -0.234 0.364 0.129) 0.452 99.303 ( -0.264 0.250 1.049) 1.110 99.343 ( -0.204 -0.161 -0.569) 0.625 99.671 ( 1.528 0.192 3.640) 3.953 99.951 ( -4.956 1.166 -9.104) 10.431 100.371 ( -2.530 0.705 3.938) 4.733 100.742 ( 9.419 2.490 -4.613) 10.779 ======================= Grid point 199 (100/160) ======================= q-point: (-0.11 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -2.683 5.546 3.353) 7.014 1.379 ( 0.812 5.385 3.036) 6.235 1.536 ( 1.024 7.889 3.830) 8.829 1.591 ( -2.689 -0.914 -4.252) 5.113 1.776 ( -1.640 1.152 2.107) 2.908 1.851 ( -6.302 2.847 2.699) 7.424 2.047 ( 1.152 -0.642 -0.608) 1.452 2.116 ( -0.734 5.478 6.727) 8.706 2.185 ( -2.515 -0.473 3.585) 4.405 2.292 ( -1.177 1.024 1.134) 1.929 2.408 ( 0.197 5.347 -2.404) 5.866 2.546 ( 0.730 -0.942 -0.869) 1.475 2.612 ( 2.177 -0.289 1.997) 2.968 2.662 ( 0.734 1.189 -1.237) 1.866 2.839 ( 3.685 4.017 0.790) 5.509 2.914 ( 10.563 1.042 0.016) 10.614 3.079 ( 0.535 -0.378 -0.114) 0.664 3.297 ( -6.382 -4.624 -6.303) 10.092 4.929 ( -0.967 -0.329 0.215) 1.044 4.963 ( 0.066 -0.999 0.868) 1.325 5.607 ( -1.706 -0.572 3.217) 3.686 5.765 ( -2.569 1.244 0.073) 2.855 5.906 ( -0.661 -1.595 1.015) 2.002 6.126 ( -1.893 -1.239 -4.295) 4.854 6.180 ( 1.144 -1.801 -3.729) 4.296 6.291 ( 4.191 -2.291 1.571) 5.028 7.642 ( -1.061 -1.210 0.435) 1.667 7.696 ( 0.669 0.742 0.970) 1.393 8.574 ( -0.116 0.406 0.093) 0.432 8.628 ( 0.373 0.651 -0.332) 0.820 13.756 ( -6.047 -2.835 2.274) 7.055 14.016 ( -1.633 2.131 -2.817) 3.891 14.699 ( -5.064 -10.897 4.892) 12.974 15.245 ( 9.997 -4.331 -2.958) 11.289 17.990 ( -5.030 -0.166 9.406) 10.668 18.542 ( 0.721 -2.324 -0.696) 2.531 18.634 ( -8.233 -2.361 18.900) 20.750 19.795 ( 5.521 -3.675 -13.120) 14.701 20.303 ( 0.953 2.972 1.259) 3.365 20.543 ( 1.556 0.660 -6.715) 6.924 22.052 ( -4.529 -1.740 8.106) 9.447 22.679 ( 4.678 -0.481 -9.197) 10.329 45.713 ( -1.276 1.047 1.026) 1.944 45.746 ( -1.379 -1.844 -0.173) 2.309 46.322 ( -0.080 3.845 -1.292) 4.057 46.385 ( 3.173 3.427 -0.430) 4.690 98.819 ( -1.261 -0.559 1.892) 2.342 98.862 ( -0.129 -0.020 0.584) 0.599 99.292 ( -0.933 0.642 0.441) 1.216 99.350 ( 0.765 -0.203 0.331) 0.858 99.683 ( -1.341 1.295 1.432) 2.351 99.857 ( 0.003 1.351 -4.199) 4.411 100.345 ( -2.300 1.199 2.455) 3.571 100.799 ( 8.557 -0.650 -7.018) 11.086 ======================= Grid point 204 (101/160) ======================= q-point: ( 0.44 0.44 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 4.912 -0.000 6.625) 8.247 1.571 ( -2.581 0.000 4.533) 5.217 1.674 ( -0.192 0.000 17.189) 17.190 1.718 ( -4.152 0.000 0.800) 4.228 1.839 ( 1.191 -0.000 -3.169) 3.385 1.964 ( 1.463 -0.000 -4.628) 4.854 2.000 ( 0.322 -0.000 2.851) 2.869 2.056 ( 0.966 -0.000 -1.220) 1.556 2.239 ( 4.904 -0.000 -4.682) 6.781 2.322 ( 2.057 -0.000 0.012) 2.057 2.496 ( -0.752 0.000 -3.707) 3.782 2.631 ( 3.885 -0.000 -5.329) 6.595 2.747 ( 0.008 -0.000 2.384) 2.384 2.795 ( 0.456 -0.000 2.281) 2.326 2.932 ( 1.971 -0.000 2.290) 3.021 2.946 ( 2.807 -0.000 -1.033) 2.991 3.213 ( -4.323 0.000 -0.661) 4.373 3.420 ( 2.073 -0.000 -6.336) 6.667 4.881 ( 0.392 -0.000 0.661) 0.769 4.974 ( -1.012 0.000 -1.536) 1.839 5.620 ( -2.475 0.000 5.014) 5.592 5.833 ( 5.842 -0.000 -2.609) 6.398 5.864 ( -3.871 0.000 2.739) 4.742 5.981 ( 1.271 -0.000 -0.236) 1.293 6.064 ( -4.201 0.000 -1.163) 4.359 6.127 ( -0.441 0.000 -3.940) 3.964 7.626 ( -2.158 0.000 1.951) 2.909 7.681 ( 1.079 -0.000 -1.906) 2.190 8.508 ( -0.474 0.000 2.371) 2.418 8.642 ( 1.073 -0.000 -0.604) 1.232 13.912 ( -8.110 0.000 7.205) 10.848 14.094 ( 5.452 -0.000 2.707) 6.087 14.278 ( -11.248 0.000 -3.331) 11.731 14.289 ( 1.450 -0.000 -3.609) 3.889 17.966 ( -3.010 0.000 7.841) 8.399 18.456 ( -6.371 0.000 18.479) 19.546 18.553 ( -1.146 0.000 -7.898) 7.980 19.776 ( 0.159 -0.000 -15.143) 15.144 20.410 ( 0.498 -0.000 5.693) 5.714 20.552 ( 3.271 -0.000 -1.547) 3.619 22.076 ( -4.896 0.000 7.898) 9.293 22.768 ( 3.743 -0.000 -11.148) 11.760 45.700 ( 0.275 -0.000 0.577) 0.639 45.812 ( -0.816 0.000 -1.766) 1.945 46.410 ( 2.621 -0.000 2.278) 3.473 46.587 ( 2.257 -0.000 -1.761) 2.863 98.791 ( -0.011 0.000 1.805) 1.805 98.933 ( -2.012 0.000 0.232) 2.026 99.300 ( -0.049 0.000 0.661) 0.663 99.355 ( -0.674 0.000 -0.242) 0.716 99.712 ( 1.512 -0.000 -0.199) 1.525 99.930 ( 2.091 -0.000 -4.401) 4.873 100.364 ( -0.703 0.000 6.694) 6.731 100.876 ( 4.127 -0.000 -8.330) 9.296 ======================= Grid point 205 (102/160) ======================= q-point: (-0.44 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -3.059 1.435 4.827) 5.892 1.551 ( -9.843 -0.105 7.179) 12.184 1.701 ( 0.551 -1.813 5.181) 5.517 1.762 ( -5.949 -3.762 8.745) 11.226 1.855 ( 4.850 1.268 -3.031) 5.858 1.967 ( 1.838 2.285 1.562) 3.323 1.991 ( 1.181 -0.235 -1.516) 1.936 2.056 ( 1.361 1.287 -0.531) 1.947 2.261 ( 3.471 0.654 -6.098) 7.047 2.348 ( 2.707 -0.288 -0.211) 2.730 2.471 ( -2.668 -0.989 -1.634) 3.282 2.654 ( 3.121 -1.220 -4.630) 5.716 2.738 ( 0.202 2.091 1.485) 2.573 2.776 ( -1.008 2.320 0.007) 2.530 2.894 ( -0.953 4.139 2.159) 4.765 3.006 ( 0.934 -0.627 3.103) 3.301 3.148 ( -2.510 1.882 -1.384) 3.429 3.382 ( -0.336 1.672 -7.444) 7.637 4.895 ( 0.786 -0.359 1.122) 1.416 4.952 ( -1.093 0.207 -1.736) 2.062 5.611 ( -2.410 0.567 5.058) 5.632 5.839 ( -3.686 -0.522 2.347) 4.401 5.878 ( 4.788 0.349 -3.228) 5.785 5.997 ( 0.343 0.018 1.335) 1.378 6.042 ( -0.015 -2.315 -0.902) 2.484 6.125 ( 1.340 -1.099 -4.909) 5.205 7.615 ( -2.093 -0.407 1.660) 2.702 7.684 ( 1.289 0.124 -1.517) 1.994 8.520 ( -0.144 -0.496 2.401) 2.456 8.652 ( 0.973 -0.152 -0.705) 1.211 13.839 ( -6.159 2.059 5.713) 8.650 14.149 ( 7.405 3.826 -1.162) 8.416 14.156 ( -7.192 -3.818 2.171) 8.427 14.442 ( 5.100 -10.714 -3.817) 12.465 17.972 ( -3.005 -0.083 8.378) 8.901 18.487 ( -4.696 -0.410 18.709) 19.294 18.508 ( -1.006 -0.347 -6.829) 6.911 19.718 ( 2.314 -0.437 -16.595) 16.761 20.425 ( -0.057 1.177 4.496) 4.648 20.581 ( 3.695 0.390 -1.254) 3.921 22.057 ( -4.732 0.473 8.342) 9.603 22.746 ( 3.268 0.835 -11.421) 11.908 45.706 ( -0.232 -0.310 0.696) 0.796 45.789 ( -0.960 0.545 -1.831) 2.138 46.432 ( 1.081 0.978 2.551) 2.938 46.584 ( -0.324 0.737 -2.126) 2.274 98.802 ( 0.126 -0.119 2.260) 2.266 98.904 ( -2.119 0.501 -0.469) 2.227 99.305 ( 0.362 0.120 0.913) 0.989 99.347 ( -0.857 -0.101 -0.456) 0.976 99.708 ( 1.257 2.157 1.080) 2.721 99.944 ( -0.570 -2.827 -5.884) 6.553 100.383 ( -1.839 -0.161 6.550) 6.805 100.872 ( 6.367 2.815 -7.633) 10.331 ======================= Grid point 206 (103/160) ======================= q-point: (-0.33 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -11.692 2.445 1.429) 12.030 1.532 ( -8.278 -2.179 9.088) 12.485 1.707 ( -4.784 2.512 0.204) 5.407 1.787 ( 0.758 -0.862 3.031) 3.241 1.825 ( -1.079 3.193 1.842) 3.841 1.951 ( 1.973 4.461 4.125) 6.388 2.016 ( 1.259 -1.387 -2.925) 3.473 2.090 ( 2.299 -3.295 2.418) 4.689 2.243 ( 2.320 1.312 -4.825) 5.512 2.381 ( 1.335 -0.334 -0.360) 1.423 2.452 ( -4.194 -1.541 0.200) 4.473 2.659 ( 0.707 4.140 -1.020) 4.322 2.670 ( -4.631 3.792 -3.107) 6.744 2.741 ( 2.837 -0.722 -3.220) 4.352 2.824 ( -3.971 1.965 4.547) 6.349 3.011 ( 0.742 2.861 5.234) 6.011 3.116 ( 1.872 1.160 -1.149) 2.484 3.308 ( -1.220 1.776 -7.638) 7.936 4.917 ( 0.791 -0.503 1.460) 1.735 4.932 ( -0.853 0.055 -1.335) 1.586 5.603 ( -1.722 0.408 4.811) 5.126 5.817 ( -4.527 -0.764 2.028) 5.019 5.879 ( 0.630 0.832 -3.011) 3.187 6.035 ( 2.091 -2.574 0.874) 3.430 6.109 ( 4.768 -2.214 -0.178) 5.259 6.134 ( 2.006 -0.656 -5.408) 5.806 7.608 ( -1.909 -0.607 1.330) 2.404 7.693 ( 1.459 -0.048 -0.787) 1.658 8.541 ( 0.131 -0.821 2.080) 2.240 8.658 ( 0.724 0.121 -0.914) 1.172 13.779 ( -4.628 1.483 4.628) 6.711 14.152 ( 8.023 4.160 -3.414) 9.661 14.210 ( -7.210 -8.903 5.402) 12.666 14.691 ( 11.926 -11.384 -4.243) 17.024 17.981 ( -3.247 -0.107 9.121) 9.682 18.480 ( 0.311 -0.959 -7.231) 7.301 18.540 ( -4.640 -0.526 21.358) 21.862 19.691 ( 4.394 -1.410 -17.067) 17.680 20.416 ( -0.321 1.854 2.960) 3.507 20.599 ( 3.436 1.252 -2.175) 4.255 22.040 ( -4.396 0.523 8.845) 9.891 22.711 ( 3.160 1.125 -11.299) 11.786 45.709 ( -1.150 -0.477 0.726) 1.441 45.763 ( -0.705 0.642 -1.281) 1.597 46.432 ( 0.599 1.371 2.751) 3.132 46.536 ( -2.609 1.857 -2.720) 4.201 98.813 ( -0.410 0.155 2.441) 2.480 98.877 ( -1.079 0.219 -0.424) 1.180 99.309 ( 0.105 0.235 1.060) 1.091 99.338 ( -0.620 -0.175 -0.588) 0.872 99.695 ( 0.787 1.542 2.718) 3.222 99.935 ( -2.759 -1.890 -7.413) 8.133 100.387 ( -2.596 0.248 5.607) 6.183 100.859 ( 7.818 3.895 -7.251) 11.352 ======================= Grid point 207 (104/160) ======================= q-point: (-0.22 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -12.529 3.808 -0.500) 13.104 1.521 ( -7.916 -2.204 7.421) 11.072 1.593 ( -2.393 5.783 1.493) 6.434 1.745 ( -0.953 3.992 1.551) 4.388 1.820 ( -0.555 0.897 0.647) 1.238 1.911 ( -1.560 3.245 5.883) 6.897 2.027 ( 0.843 -0.457 -2.552) 2.726 2.181 ( -0.664 -2.563 6.873) 7.365 2.235 ( 1.518 -0.117 -4.612) 4.857 2.338 ( -2.316 4.909 1.017) 5.522 2.441 ( -5.498 -3.185 0.194) 6.357 2.554 ( -3.297 3.890 -4.283) 6.659 2.585 ( 0.566 0.877 0.206) 1.064 2.750 ( -0.037 1.455 -1.669) 2.214 2.831 ( 0.393 -3.338 -0.038) 3.361 3.001 ( 2.523 2.928 4.695) 6.081 3.120 ( 2.620 1.359 -0.560) 3.004 3.236 ( -0.764 2.052 -6.294) 6.664 4.922 ( -0.531 -0.216 -0.479) 0.747 4.939 ( 0.525 -0.499 1.328) 1.513 5.605 ( -1.060 0.203 4.164) 4.301 5.781 ( -5.425 -0.376 1.431) 5.623 5.867 ( 0.606 -0.314 -1.596) 1.736 6.094 ( 1.500 -1.455 -2.360) 3.152 6.136 ( 2.220 -0.619 -4.056) 4.665 6.209 ( 5.697 -2.467 0.782) 6.257 7.607 ( -1.408 -0.862 0.884) 1.873 7.707 ( 1.240 -0.024 0.187) 1.254 8.565 ( 0.307 -0.731 1.465) 1.666 8.653 ( 0.314 0.637 -1.043) 1.262 13.728 ( -4.501 1.092 3.111) 5.579 14.118 ( 0.188 3.735 -2.229) 4.353 14.350 ( 0.124 -9.807 3.937) 10.569 15.000 ( 14.749 -10.562 -2.981) 18.384 17.987 ( -3.827 0.054 9.512) 10.253 18.480 ( 1.178 -1.711 -5.134) 5.538 18.593 ( -5.551 -0.233 21.545) 22.250 19.699 ( 5.723 -2.385 -16.548) 17.671 20.389 ( -0.606 2.152 1.408) 2.642 20.591 ( 2.715 2.123 -3.856) 5.172 22.031 ( -3.867 0.227 9.186) 9.969 22.680 ( 3.491 0.556 -10.750) 11.317 45.702 ( -2.076 -0.752 0.271) 2.224 45.743 ( -0.485 0.735 -0.250) 0.916 46.427 ( -0.085 2.276 1.604) 2.786 46.460 ( -1.700 1.586 -1.964) 3.043 98.809 ( -1.318 0.161 1.619) 2.093 98.871 ( 0.004 0.220 0.468) 0.517 99.306 ( -0.609 0.314 0.633) 0.933 99.339 ( 0.313 -0.385 0.073) 0.501 99.703 ( 0.264 0.353 3.666) 3.692 99.881 ( -2.939 -0.062 -7.019) 7.610 100.374 ( -2.489 0.672 4.191) 4.921 100.849 ( 7.236 3.182 -7.717) 11.047 ======================= Grid point 208 (105/160) ======================= q-point: (-0.11 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -5.873 0.716 1.413) 6.083 1.473 ( -2.460 4.051 4.168) 6.312 1.534 ( -2.328 -0.772 1.742) 3.008 1.678 ( -0.624 5.784 4.840) 7.567 1.783 ( -1.204 1.096 0.419) 1.681 1.862 ( -3.015 3.176 3.688) 5.726 2.041 ( 0.870 -1.125 -0.925) 1.696 2.157 ( -5.747 2.772 8.309) 10.477 2.248 ( 0.790 3.733 0.818) 3.902 2.260 ( -1.190 -0.532 -0.623) 1.445 2.414 ( -2.477 -0.269 -5.653) 6.177 2.504 ( -0.974 -3.311 -1.696) 3.846 2.626 ( 2.123 -1.821 1.691) 3.268 2.706 ( 0.332 2.933 -1.540) 3.329 2.866 ( -3.306 -2.439 -1.609) 4.412 3.031 ( 5.158 0.524 2.328) 5.684 3.120 ( -2.097 -1.528 -0.987) 2.776 3.171 ( 3.609 4.613 -3.872) 7.022 4.919 ( -0.420 -0.108 -0.035) 0.435 4.956 ( 0.106 -0.554 1.092) 1.229 5.610 ( -0.646 0.287 3.439) 3.511 5.737 ( -4.357 -0.168 1.178) 4.516 5.884 ( 0.563 -1.148 -0.188) 1.292 6.089 ( 0.583 0.196 -4.971) 5.009 6.158 ( 1.742 -0.666 -3.137) 3.649 6.305 ( 3.621 -2.177 1.515) 4.488 7.615 ( -0.689 -1.141 0.156) 1.342 7.718 ( 0.538 0.431 1.258) 1.434 8.581 ( 0.338 -0.026 0.736) 0.810 8.638 ( -0.026 0.697 -0.807) 1.066 13.683 ( -4.015 0.034 1.845) 4.419 14.034 ( -1.959 3.651 -2.144) 4.665 14.525 ( 0.185 -8.748 3.345) 9.367 15.271 ( 11.160 -6.130 -1.474) 12.817 17.984 ( -4.359 0.309 9.432) 10.395 18.509 ( 0.832 -2.146 -1.590) 2.798 18.621 ( -7.098 -0.031 19.111) 20.387 19.735 ( 6.218 -3.275 -15.145) 16.696 20.349 ( -0.939 2.078 0.162) 2.286 20.559 ( 2.291 2.311 -5.265) 6.189 22.034 ( -3.368 -0.193 9.143) 9.746 22.672 ( 3.977 -0.581 -9.968) 10.748 45.700 ( -1.728 -1.606 0.026) 2.360 45.721 ( -0.813 1.124 0.204) 1.402 46.353 ( -2.235 2.817 -2.451) 4.352 46.463 ( 2.924 1.084 1.983) 3.696 98.803 ( -1.315 -0.457 1.280) 1.891 98.867 ( -0.108 0.478 0.648) 0.813 99.294 ( -0.658 0.519 0.196) 0.861 99.354 ( 0.712 -0.509 0.779) 1.172 99.688 ( -2.792 1.761 -0.098) 3.302 99.861 ( 2.464 -1.278 -0.945) 2.932 100.353 ( -1.846 1.008 2.762) 3.472 100.838 ( 4.554 1.287 -8.844) 10.031 ======================= Grid point 214 (106/160) ======================= q-point: (-0.44 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -14.478 0.000 0.746) 14.497 1.484 ( -11.766 0.000 11.427) 16.401 1.719 ( 0.923 -0.000 6.299) 6.366 1.756 ( -0.960 0.000 7.590) 7.651 1.895 ( 1.854 -0.000 -1.445) 2.350 1.973 ( 2.166 -0.000 -3.162) 3.833 2.041 ( 1.995 -0.000 2.200) 2.970 2.090 ( 2.153 -0.000 -0.506) 2.212 2.237 ( -1.131 0.000 -5.701) 5.812 2.383 ( 3.446 -0.000 -1.657) 3.824 2.413 ( -4.752 0.000 -0.969) 4.850 2.641 ( 1.594 -0.000 -6.067) 6.273 2.752 ( -3.826 0.000 1.898) 4.271 2.784 ( 1.251 -0.000 3.101) 3.343 2.965 ( -0.963 0.000 1.206) 1.543 2.988 ( -1.519 0.000 2.170) 2.649 3.129 ( -2.015 0.000 0.283) 2.035 3.348 ( -1.527 0.000 -9.200) 9.326 4.910 ( 1.220 -0.000 1.848) 2.215 4.933 ( -0.987 0.000 -2.192) 2.405 5.611 ( -2.413 0.000 4.768) 5.344 5.811 ( -2.830 0.000 2.100) 3.524 5.891 ( -1.407 0.000 -2.597) 2.954 5.988 ( 1.942 -0.000 -0.678) 2.057 6.070 ( 5.870 -0.000 1.136) 5.978 6.120 ( 2.988 -0.000 -4.980) 5.807 7.599 ( -1.656 0.000 1.437) 2.192 7.692 ( 1.265 -0.000 -1.313) 1.823 8.526 ( -0.015 0.000 2.422) 2.423 8.657 ( 0.939 -0.000 -0.920) 1.314 13.825 ( -4.314 0.000 6.285) 7.624 14.045 ( -6.388 0.000 3.024) 7.068 14.299 ( 10.492 -0.000 -4.050) 11.246 14.414 ( 11.011 -0.000 -2.646) 11.325 17.980 ( -2.795 0.000 8.913) 9.341 18.463 ( -0.252 0.000 -7.894) 7.898 18.535 ( -3.407 0.000 21.756) 22.021 19.668 ( 4.006 -0.000 -17.694) 18.142 20.446 ( -1.225 0.000 3.461) 3.672 20.623 ( 4.274 -0.000 -0.944) 4.377 22.052 ( -4.534 0.000 9.132) 10.195 22.732 ( 2.778 -0.000 -11.532) 11.862 45.703 ( -0.697 0.000 1.234) 1.417 45.773 ( -1.148 0.000 -1.931) 2.247 46.450 ( -1.126 0.000 2.593) 2.827 46.567 ( -2.303 0.000 -2.365) 3.301 98.817 ( 0.400 -0.000 3.051) 3.077 98.880 ( -2.313 0.000 -0.793) 2.445 99.315 ( 0.475 -0.000 1.048) 1.150 99.334 ( -0.930 0.000 -0.531) 1.070 99.742 ( 0.670 -0.000 0.800) 1.044 99.881 ( -2.037 0.000 -5.066) 5.460 100.389 ( -2.377 0.000 6.594) 7.009 100.931 ( 7.590 -0.000 -9.226) 11.947 ======================= Grid point 215 (107/160) ======================= q-point: (-0.33 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -16.723 -0.196 1.089) 16.759 1.428 ( -12.856 -2.629 12.204) 17.920 1.722 ( -2.257 2.493 4.855) 5.906 1.787 ( -0.711 -0.995 2.869) 3.119 1.865 ( -2.755 1.962 0.372) 3.403 1.992 ( 1.505 -1.269 -2.553) 3.224 2.062 ( 0.435 3.872 -1.271) 4.099 2.081 ( 3.245 -1.584 -0.144) 3.614 2.214 ( -2.645 -1.398 -1.410) 3.308 2.360 ( -4.844 -0.678 -0.431) 4.911 2.412 ( 2.488 -0.097 -1.911) 3.139 2.637 ( -0.975 -1.875 -5.772) 6.146 2.697 ( -2.351 3.453 1.999) 4.631 2.791 ( -0.702 4.596 0.320) 4.660 2.845 ( -4.158 4.281 4.285) 7.347 3.044 ( -0.791 -2.493 2.971) 3.958 3.114 ( -1.633 0.030 0.742) 1.794 3.287 ( 0.177 -0.002 -9.387) 9.388 4.915 ( -0.574 -0.151 -2.000) 2.086 4.934 ( 1.397 0.114 2.463) 2.833 5.609 ( -1.747 0.024 4.319) 4.660 5.785 ( -3.050 0.878 2.053) 3.780 5.857 ( -2.425 -0.655 -1.650) 3.005 6.036 ( 4.592 -1.596 -2.145) 5.314 6.130 ( 3.536 0.180 -3.117) 4.718 6.153 ( 6.202 -1.054 -0.147) 6.293 7.591 ( -1.243 -0.176 1.208) 1.743 7.701 ( 1.222 -0.201 -0.789) 1.468 8.541 ( 0.097 -0.523 2.115) 2.181 8.662 ( 0.673 0.003 -1.200) 1.376 13.800 ( -1.842 2.538 5.685) 6.492 14.056 ( -3.659 -4.790 5.002) 7.834 14.320 ( 10.912 5.887 -4.952) 13.351 14.641 ( 14.122 -10.396 -3.890) 17.962 17.992 ( -2.870 0.168 9.687) 10.105 18.435 ( 0.628 -0.880 -7.306) 7.385 18.608 ( -2.315 0.665 24.175) 24.295 19.645 ( 5.753 -0.914 -18.029) 18.946 20.434 ( -2.019 0.723 2.054) 2.970 20.654 ( 4.156 1.325 -1.742) 4.697 22.046 ( -3.953 0.419 9.859) 10.630 22.702 ( 2.596 0.531 -11.274) 11.582 45.698 ( -1.341 0.282 1.539) 2.061 45.754 ( -0.733 -0.054 -1.352) 1.538 46.443 ( -2.330 -0.374 2.501) 3.439 46.512 ( -4.188 1.092 -2.670) 5.085 98.828 ( -0.568 0.886 2.523) 2.733 98.863 ( -0.646 -0.701 0.551) 1.102 99.317 ( -0.567 0.365 0.343) 0.757 99.328 ( -0.057 -0.299 0.245) 0.391 99.733 ( -0.329 1.445 1.621) 2.197 99.848 ( -2.758 -1.629 -5.477) 6.345 100.390 ( -2.524 0.319 6.102) 6.611 100.947 ( 7.374 2.127 -10.897) 13.328 ======================= Grid point 216 (108/160) ======================= q-point: (-0.22 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -16.467 -0.056 0.642) 16.479 1.407 ( -11.817 -4.380 11.245) 16.890 1.647 ( -4.013 4.235 3.282) 6.694 1.773 ( -2.378 -0.189 -1.096) 2.625 1.826 ( -2.667 1.074 3.301) 4.377 1.988 ( -0.820 2.816 -1.091) 3.129 2.015 ( 0.378 0.574 -0.829) 1.077 2.145 ( 0.748 -3.749 -2.335) 4.480 2.201 ( -3.719 -1.215 2.152) 4.465 2.323 ( -3.742 -1.158 -1.143) 4.081 2.411 ( -0.052 3.123 1.923) 3.668 2.569 ( -2.599 4.783 -1.239) 5.583 2.623 ( -2.718 3.976 1.383) 5.011 2.701 ( -1.564 -2.458 -5.136) 5.905 2.816 ( -1.584 1.277 3.396) 3.959 3.053 ( -1.757 0.825 3.708) 4.186 3.092 ( -3.418 -0.970 -3.371) 4.898 3.293 ( 6.262 0.096 -4.491) 7.707 4.910 ( -0.020 -0.451 -1.245) 1.324 4.954 ( 1.034 0.524 2.551) 2.802 5.613 ( -0.923 -0.087 3.570) 3.688 5.742 ( -3.485 1.011 2.070) 4.178 5.851 ( -0.373 -1.117 -1.147) 1.644 6.087 ( 3.111 -0.788 -4.229) 5.309 6.151 ( 3.954 0.139 -2.866) 4.886 6.241 ( 5.517 -1.463 1.121) 5.817 7.590 ( -0.768 -0.376 0.879) 1.226 7.717 ( 0.996 -0.385 0.070) 1.071 8.562 ( 0.157 -0.798 1.551) 1.752 8.658 ( 0.222 0.337 -1.393) 1.451 13.756 ( -0.786 3.947 3.896) 5.601 14.106 ( -3.172 -1.583 3.342) 4.872 14.354 ( 10.837 0.926 -2.832) 11.239 14.964 ( 14.496 -11.912 -3.170) 19.028 17.999 ( -3.352 0.583 10.133) 10.689 18.440 ( 1.727 -1.966 -6.107) 6.644 18.669 ( -3.359 2.727 25.331) 25.698 19.654 ( 6.988 -1.861 -17.364) 18.809 20.401 ( -2.585 1.133 0.637) 2.893 20.649 ( 3.352 2.828 -3.369) 5.530 22.047 ( -3.009 0.619 10.281) 10.730 22.672 ( 2.861 0.392 -10.734) 11.116 45.678 ( -2.074 0.338 0.951) 2.307 45.747 ( -0.079 0.237 -0.125) 0.279 46.426 ( -4.851 1.680 -2.772) 5.834 46.449 ( -1.302 -1.674 2.290) 3.121 98.808 ( -1.366 0.770 1.049) 1.887 98.880 ( 0.486 0.041 2.232) 2.285 99.305 ( -0.709 0.223 0.136) 0.755 99.338 ( 0.284 -0.446 0.820) 0.976 99.718 ( -1.307 0.558 1.966) 2.425 99.820 ( -1.569 -1.368 -4.679) 5.121 100.381 ( -2.263 0.843 5.049) 5.597 100.919 ( 4.827 2.985 -12.117) 13.381 ======================= Grid point 217 (109/160) ======================= q-point: (-0.11 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -9.504 -3.750 1.726) 10.362 1.415 ( -9.388 -5.122 7.431) 13.022 1.564 ( -1.966 3.108 3.591) 5.140 1.752 ( -1.545 3.067 3.698) 5.047 1.784 ( -1.804 0.120 0.198) 1.818 1.917 ( -1.672 3.810 1.154) 4.318 2.015 ( -0.666 -1.713 -1.878) 2.628 2.162 ( -4.497 -1.881 -2.866) 5.655 2.202 ( -3.983 -1.851 3.852) 5.842 2.288 ( -2.628 1.269 4.464) 5.333 2.390 ( 1.340 2.085 2.682) 3.652 2.440 ( -3.088 1.672 -4.411) 5.638 2.628 ( 2.678 -1.435 0.215) 3.046 2.695 ( -3.086 -1.500 -4.653) 5.781 2.797 ( -1.728 0.011 1.553) 2.324 3.020 ( -6.304 -0.689 -0.538) 6.364 3.061 ( -1.101 -0.595 -1.326) 1.824 3.339 ( 9.384 3.518 -2.006) 10.221 4.914 ( 0.264 -0.311 -0.516) 0.657 4.963 ( 0.270 0.557 2.010) 2.103 5.624 ( -0.099 -0.049 2.824) 2.826 5.705 ( -2.616 0.635 2.144) 3.441 5.870 ( 0.540 -1.420 -0.289) 1.547 6.090 ( 2.419 0.765 -5.662) 6.205 6.172 ( 2.837 0.791 -2.576) 3.913 6.317 ( 3.103 -1.364 1.388) 3.663 7.596 ( -0.199 -0.703 0.364) 0.817 7.731 ( 0.351 -0.041 1.031) 1.090 8.582 ( 0.234 -0.706 0.938) 1.197 8.643 ( -0.233 0.715 -1.249) 1.458 13.702 ( 0.079 3.805 2.217) 4.404 14.066 ( -0.770 3.341 -1.260) 3.653 14.476 ( 6.372 -3.313 1.974) 7.448 15.258 ( 9.791 -8.796 -1.686) 13.270 17.995 ( -3.840 0.920 10.171) 10.911 18.474 ( 2.254 -2.502 -4.539) 5.651 18.674 ( -6.617 4.127 23.904) 25.144 19.690 ( 7.538 -2.488 -15.784) 17.668 20.352 ( -2.878 1.214 -0.473) 3.159 20.611 ( 2.729 3.314 -4.867) 6.490 22.055 ( -2.240 0.827 10.135) 10.412 22.657 ( 3.377 -0.413 -10.155) 10.709 45.664 ( -1.551 -0.764 0.647) 1.846 45.736 ( 0.002 1.143 0.162) 1.154 46.341 ( -3.959 1.285 -2.464) 4.837 46.486 ( 0.676 -1.874 1.790) 2.678 98.792 ( -1.061 0.085 1.032) 1.483 98.882 ( -0.096 1.023 1.632) 1.929 99.295 ( -0.494 0.304 0.079) 0.586 99.356 ( 0.510 -0.646 1.121) 1.390 99.681 ( -2.784 1.567 -1.378) 3.480 99.855 ( 3.317 -3.355 0.674) 4.765 100.365 ( -1.694 1.030 3.799) 4.285 100.847 ( 0.427 2.210 -12.173) 12.379 ======================= Grid point 224 (110/160) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -18.237 0.000 2.591) 18.421 1.315 ( -14.675 0.000 13.876) 20.196 1.736 ( -8.025 0.000 -4.977) 9.443 1.746 ( -3.770 0.000 5.445) 6.623 1.826 ( -6.057 0.000 3.334) 6.914 1.987 ( 1.183 -0.000 -2.164) 2.466 2.037 ( -0.944 0.000 -5.032) 5.120 2.109 ( 0.214 -0.000 -1.850) 1.862 2.195 ( -1.375 0.000 6.171) 6.322 2.315 ( -2.585 0.000 0.362) 2.610 2.433 ( 4.150 -0.000 -4.605) 6.199 2.578 ( -0.799 0.000 -5.892) 5.946 2.712 ( -4.461 0.000 4.513) 6.345 2.827 ( -0.408 0.000 2.376) 2.411 2.934 ( -0.522 0.000 -2.070) 2.135 2.942 ( -4.482 0.000 6.285) 7.719 3.106 ( -3.858 0.000 3.851) 5.451 3.222 ( -0.273 0.000 -11.915) 11.918 4.900 ( -0.073 0.000 -2.128) 2.129 4.970 ( 2.363 -0.000 3.400) 4.141 5.611 ( -1.219 0.000 3.803) 3.994 5.790 ( -0.978 0.000 2.360) 2.555 5.810 ( -2.590 0.000 -0.948) 2.758 6.061 ( 4.729 -0.000 -3.023) 5.613 6.157 ( 4.155 -0.000 -3.754) 5.600 6.216 ( 6.196 -0.000 0.923) 6.265 7.586 ( -0.675 0.000 1.158) 1.340 7.707 ( 0.891 -0.000 -0.647) 1.102 8.546 ( -0.001 0.000 1.835) 1.835 8.661 ( 0.439 -0.000 -1.489) 1.552 13.850 ( 0.503 -0.000 6.430) 6.449 14.033 ( 1.246 -0.000 5.789) 5.922 14.487 ( 11.286 -0.000 -6.333) 12.941 14.662 ( 14.859 -0.000 -5.080) 15.703 18.011 ( -2.827 0.000 10.569) 10.941 18.404 ( 1.299 -0.000 -6.871) 6.992 18.731 ( 1.140 -0.000 28.219) 28.242 19.622 ( 7.050 -0.000 -18.300) 19.611 20.419 ( -3.130 0.000 1.225) 3.361 20.702 ( 4.276 -0.000 -2.502) 4.954 22.058 ( -3.319 0.000 10.556) 11.065 22.681 ( 2.368 -0.000 -10.778) 11.035 45.704 ( -0.673 0.000 2.985) 3.060 45.735 ( -0.711 0.000 -1.462) 1.626 46.406 ( -5.017 0.000 2.136) 5.453 46.455 ( -5.669 0.000 -2.756) 6.304 98.833 ( -1.310 0.000 -0.480) 1.395 98.870 ( 1.256 -0.000 5.187) 5.337 99.310 ( -0.839 0.000 -0.371) 0.918 99.330 ( -0.137 0.000 1.100) 1.108 99.743 ( -1.357 0.000 0.640) 1.501 99.778 ( -3.032 0.000 -4.337) 5.292 100.398 ( -2.176 0.000 6.411) 6.771 100.976 ( 5.754 -0.000 -15.118) 16.176 ======================= Grid point 225 (111/160) ======================= q-point: (-0.22 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -17.969 -0.539 4.049) 18.427 1.246 ( -15.276 -3.687 11.183) 19.287 1.611 ( -13.657 -4.011 -1.271) 14.291 1.693 ( -5.472 1.834 3.011) 6.510 1.798 ( -5.008 -1.248 2.643) 5.798 1.978 ( -0.330 0.393 -3.259) 3.299 2.029 ( -0.693 -0.108 -0.278) 0.755 2.085 ( -1.822 -0.254 -3.134) 3.634 2.174 ( -4.568 1.831 3.765) 6.196 2.321 ( 3.697 -0.186 0.769) 3.780 2.456 ( 2.929 0.186 -3.611) 4.653 2.579 ( 0.353 -2.599 -2.955) 3.951 2.636 ( -5.204 4.422 2.334) 7.217 2.743 ( -2.145 9.884 1.621) 10.243 2.838 ( -2.364 1.980 4.399) 5.372 2.982 ( -5.062 -2.409 -3.934) 6.849 3.060 ( -4.490 0.666 2.344) 5.109 3.269 ( 4.142 -7.576 -5.089) 10.023 4.898 ( 0.565 -0.471 -1.637) 1.795 5.006 ( 2.820 1.468 3.743) 4.911 5.618 ( -0.510 -0.078 3.125) 3.167 5.756 ( -1.086 2.230 1.789) 3.059 5.821 ( -0.362 -1.648 0.238) 1.704 6.098 ( 3.897 -0.228 -3.648) 5.343 6.185 ( 4.172 0.130 -3.036) 5.161 6.286 ( 5.064 -0.699 0.453) 5.132 7.586 ( -0.228 -0.010 1.015) 1.040 7.717 ( 0.560 -0.553 -0.158) 0.802 8.558 ( -0.115 -0.541 1.333) 1.443 8.656 ( 0.078 0.125 -1.681) 1.687 13.853 ( 1.575 4.100 4.817) 6.519 14.099 ( 2.336 -0.946 5.215) 5.792 14.511 ( 11.539 5.291 -5.224) 13.727 14.908 ( 13.706 -10.948 -4.664) 18.151 18.024 ( -3.290 0.655 11.147) 11.641 18.405 ( 2.282 -1.401 -5.973) 6.546 18.857 ( 2.662 5.362 30.668) 31.247 19.629 ( 8.024 -1.252 -17.428) 19.227 20.382 ( -3.652 0.550 0.562) 3.736 20.711 ( 3.404 2.323 -4.274) 5.937 22.075 ( -2.358 0.186 10.802) 11.058 22.658 ( 2.616 0.216 -10.014) 10.352 45.685 ( -1.110 2.007 1.795) 2.913 45.747 ( 0.589 -0.878 0.700) 1.268 46.367 ( -6.160 -0.128 -2.023) 6.485 46.388 ( -4.787 -2.610 1.008) 5.545 98.814 ( -0.723 0.878 0.327) 1.184 98.910 ( 1.555 0.530 5.168) 5.423 99.301 ( -0.580 0.062 0.118) 0.595 99.335 ( -0.294 -0.517 1.163) 1.306 99.711 ( -2.276 0.709 -0.674) 2.478 99.757 ( -1.532 -2.412 -2.380) 3.719 100.399 ( -1.901 0.842 6.053) 6.400 100.924 ( 1.433 1.834 -18.286) 18.434 ======================= Grid point 226 (112/160) ======================= q-point: (-0.11 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -11.500 -5.061 5.056) 13.544 1.208 ( -15.101 -7.701 5.299) 17.761 1.580 ( -6.180 -1.429 6.774) 9.280 1.666 ( -7.262 -7.847 2.841) 11.063 1.767 ( -4.292 0.104 1.311) 4.489 1.940 ( -1.032 2.973 -0.852) 3.260 1.968 ( -4.292 0.448 -2.475) 4.975 2.070 ( -3.258 -0.396 -1.706) 3.699 2.137 ( -0.746 -1.575 -0.425) 1.794 2.376 ( 1.245 2.299 5.420) 6.018 2.416 ( -1.289 3.674 2.617) 4.692 2.509 ( -0.695 6.574 0.037) 6.611 2.608 ( -2.166 -2.169 -4.228) 5.223 2.642 ( 2.645 0.337 -1.738) 3.182 2.803 ( -2.425 1.215 3.533) 4.455 2.928 ( -6.527 -1.145 -2.899) 7.233 3.015 ( -4.835 -0.510 0.385) 4.877 3.417 ( 7.391 -4.023 -3.425) 9.085 4.909 ( 0.902 -0.606 -0.959) 1.449 5.011 ( 1.778 2.952 3.230) 4.723 5.631 ( 0.118 -0.336 2.293) 2.320 5.725 ( -0.160 2.067 2.345) 3.130 5.849 ( 0.421 -1.704 0.340) 1.788 6.112 ( 3.411 0.931 -4.434) 5.671 6.206 ( 3.190 0.791 -2.782) 4.306 6.340 ( 2.655 -0.402 0.268) 2.698 7.591 ( 0.190 -0.208 0.726) 0.779 7.732 ( 0.079 -0.605 0.550) 0.821 8.573 ( -0.143 -0.928 0.704) 1.174 8.644 ( -0.231 0.433 -1.478) 1.558 13.810 ( 2.399 5.683 2.865) 6.802 14.120 ( 2.147 2.849 -0.252) 3.576 14.560 ( 9.603 1.886 0.775) 9.818 15.190 ( 8.562 -10.207 -2.754) 13.604 18.022 ( -3.836 1.228 11.236) 11.936 18.439 ( 2.973 -2.373 -5.032) 6.308 18.863 ( -2.263 11.442 28.989) 31.247 19.671 ( 8.664 -1.957 -15.164) 17.574 20.332 ( -3.692 0.948 0.001) 3.812 20.667 ( 2.157 3.377 -6.047) 7.254 22.098 ( -1.447 0.746 10.516) 10.642 22.641 ( 3.133 -0.064 -9.476) 9.981 45.655 ( -0.955 0.901 1.641) 2.102 45.759 ( 0.956 0.875 0.707) 1.477 46.289 ( -5.278 0.002 -2.494) 5.837 46.431 ( -1.516 -5.218 0.650) 5.472 98.796 ( -0.384 0.855 1.023) 1.387 98.917 ( 0.083 2.190 3.442) 4.081 99.294 ( -0.469 0.169 0.075) 0.504 99.355 ( 0.349 -0.867 1.471) 1.743 99.668 ( -2.037 1.095 -2.057) 3.095 99.826 ( 3.727 -5.641 0.928) 6.824 100.386 ( -1.702 1.383 4.994) 5.455 100.790 ( -5.021 1.602 -17.422) 18.201 ======================= Grid point 234 (113/160) ======================= q-point: (-0.22 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -17.180 0.000 8.554) 19.192 1.066 ( -20.001 0.000 4.009) 20.399 1.393 ( -17.742 0.000 10.255) 20.493 1.672 ( -6.647 0.000 3.866) 7.690 1.723 ( -5.660 0.000 -0.664) 5.698 1.969 ( -1.189 0.000 -3.063) 3.286 1.998 ( -1.007 0.000 -1.898) 2.148 2.064 ( -1.506 0.000 -2.792) 3.173 2.166 ( -4.262 0.000 4.797) 6.416 2.378 ( 5.670 -0.000 1.543) 5.876 2.446 ( 1.755 -0.000 -8.310) 8.493 2.555 ( 1.153 -0.000 -2.010) 2.317 2.648 ( -2.080 0.000 3.352) 3.945 2.788 ( -6.015 0.000 -0.453) 6.032 2.858 ( -4.887 0.000 0.305) 4.896 2.957 ( 2.242 -0.000 -0.372) 2.272 3.016 ( -6.658 0.000 2.949) 7.282 3.151 ( -0.312 0.000 -2.491) 2.511 4.896 ( 1.223 -0.000 -1.441) 1.890 5.084 ( 5.420 -0.000 3.660) 6.540 5.631 ( 0.152 -0.000 2.931) 2.935 5.778 ( 0.010 -0.000 -0.681) 0.681 5.811 ( 0.271 -0.000 3.677) 3.687 6.127 ( 4.225 -0.000 -2.983) 5.172 6.214 ( 3.675 -0.000 -2.726) 4.575 6.325 ( 3.431 -0.000 -0.764) 3.515 7.591 ( 0.131 -0.000 1.109) 1.116 7.713 ( 0.050 -0.000 -0.232) 0.237 8.556 ( -0.350 0.000 1.011) 1.070 8.648 ( -0.121 0.000 -1.942) 1.946 13.928 ( 1.541 -0.000 3.717) 4.024 14.156 ( 3.770 -0.000 4.856) 6.147 14.672 ( 11.356 -0.000 -4.404) 12.180 14.924 ( 13.391 -0.000 -4.492) 14.124 18.046 ( -3.867 0.000 11.966) 12.575 18.396 ( 3.221 -0.000 -5.351) 6.245 19.149 ( 12.082 -0.000 34.172) 36.245 19.626 ( 8.444 -0.000 -16.796) 18.799 20.350 ( -3.838 0.000 0.821) 3.925 20.743 ( 2.843 -0.000 -6.385) 6.989 22.101 ( -2.038 0.000 10.669) 10.862 22.646 ( 2.973 -0.000 -8.733) 9.226 45.723 ( 0.802 -0.000 -1.009) 1.289 45.745 ( 1.457 -0.000 4.885) 5.097 46.285 ( -7.495 0.000 1.452) 7.634 46.296 ( -6.338 0.000 -2.672) 6.878 98.819 ( 0.071 -0.000 0.292) 0.300 98.978 ( 3.982 -0.000 6.812) 7.891 99.300 ( -0.033 0.000 1.241) 1.241 99.325 ( -1.258 0.000 0.987) 1.599 99.687 ( -1.987 0.000 -3.139) 3.715 99.701 ( -2.431 0.000 -0.178) 2.438 100.416 ( -1.904 0.000 6.453) 6.728 100.825 ( -4.821 0.000 -24.109) 24.586 ======================= Grid point 235 (114/160) ======================= q-point: (-0.11 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -11.571 -2.872 11.090) 16.283 0.903 ( -20.963 -7.818 1.349) 22.414 1.376 ( -14.009 -9.296 20.082) 26.191 1.599 ( -5.659 1.083 1.855) 6.053 1.691 ( -4.758 -2.729 -0.816) 5.545 1.911 ( -2.806 1.352 -4.073) 5.128 1.989 ( -1.791 0.551 -1.677) 2.515 2.026 ( -0.654 0.327 -1.727) 1.875 2.136 ( -0.850 1.407 1.645) 2.326 2.425 ( 1.548 0.348 -0.342) 1.623 2.456 ( 3.112 -0.631 -2.923) 4.316 2.546 ( -2.386 1.043 -1.706) 3.113 2.615 ( 0.528 4.996 1.774) 5.328 2.663 ( -5.569 3.242 -4.510) 7.865 2.823 ( -2.077 -0.164 3.610) 4.168 2.855 ( -2.895 4.059 0.015) 4.985 2.959 ( -5.718 0.538 2.540) 6.279 3.324 ( 3.097 -12.933 -2.238) 13.486 4.909 ( 1.550 -0.387 -0.911) 1.839 5.124 ( 5.208 4.512 2.184) 7.228 5.643 ( 0.262 0.289 2.268) 2.301 5.769 ( 0.849 1.311 0.574) 1.664 5.839 ( 0.667 -0.658 3.064) 3.204 6.151 ( 4.066 0.901 -2.967) 5.113 6.236 ( 2.897 0.359 -2.466) 3.822 6.351 ( 1.092 -0.633 -1.337) 1.839 7.598 ( 0.380 0.060 1.045) 1.113 7.719 ( -0.275 -0.883 -0.007) 0.925 8.560 ( -0.457 -0.577 0.534) 0.909 8.637 ( -0.223 0.039 -1.841) 1.855 13.923 ( 1.403 3.567 2.051) 4.347 14.186 ( 2.107 2.079 0.012) 2.960 14.733 ( 11.315 4.465 1.072) 12.211 15.118 ( 9.004 -7.959 -2.196) 12.217 18.049 ( -4.611 0.839 12.117) 12.992 18.424 ( 4.026 -1.319 -4.538) 6.208 19.281 ( 8.893 19.114 29.179) 35.998 19.672 ( 9.476 -1.932 -12.793) 16.037 20.308 ( -3.525 0.737 0.890) 3.710 20.701 ( 0.736 2.833 -8.543) 9.031 22.135 ( -1.318 -0.415 10.063) 10.157 22.639 ( 3.470 0.450 -7.857) 8.600 45.694 ( 0.556 3.276 1.709) 3.736 45.790 ( 1.815 0.485 1.893) 2.667 46.215 ( -5.398 -0.500 -2.365) 5.914 46.296 ( -3.968 -7.763 -0.421) 8.729 98.817 ( 0.522 0.928 0.932) 1.415 99.001 ( 1.720 5.324 4.550) 7.212 99.294 ( -0.723 0.549 0.392) 0.989 99.349 ( 0.667 -1.566 2.011) 2.635 99.655 ( -0.963 0.575 -2.213) 2.481 99.756 ( 3.293 -8.483 0.409) 9.109 100.412 ( -2.307 1.210 5.491) 6.077 100.617 ( -12.565 -0.337 -21.342) 24.769 ======================= Grid point 244 (115/160) ======================= q-point: (-0.11 -0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -19.380 0.000 5.765) 20.220 0.607 ( -7.155 0.000 17.453) 18.863 1.260 ( -13.880 0.000 26.627) 30.027 1.543 ( -7.762 0.000 1.286) 7.868 1.626 ( -0.787 0.000 -1.951) 2.103 1.888 ( -2.323 0.000 -2.106) 3.136 1.932 ( -2.779 0.000 -3.298) 4.313 2.030 ( 0.583 -0.000 -3.566) 3.613 2.162 ( 0.271 -0.000 3.116) 3.128 2.392 ( 0.484 -0.000 -6.113) 6.133 2.493 ( -1.264 0.000 -3.626) 3.839 2.529 ( -0.305 0.000 -4.479) 4.490 2.588 ( -0.821 0.000 -3.188) 3.292 2.702 ( 3.153 -0.000 0.009) 3.153 2.780 ( -3.765 0.000 0.125) 3.768 2.874 ( -6.380 0.000 2.276) 6.774 3.033 ( 2.539 -0.000 2.272) 3.407 3.124 ( -5.197 0.000 7.947) 9.495 4.922 ( 1.943 -0.000 -0.473) 1.999 5.238 ( 6.561 -0.000 -3.369) 7.376 5.661 ( 0.210 -0.000 1.537) 1.551 5.780 ( 0.545 -0.000 -1.005) 1.143 5.872 ( 1.281 -0.000 5.581) 5.726 6.188 ( 3.771 -0.000 -2.670) 4.621 6.257 ( 2.210 -0.000 -1.512) 2.678 6.338 ( -0.740 0.000 -1.116) 1.339 7.608 ( 0.415 -0.000 1.206) 1.275 7.706 ( -0.511 0.000 -0.239) 0.564 8.551 ( -0.662 0.000 0.344) 0.746 8.625 ( -0.183 0.000 -2.026) 2.034 13.962 ( 0.017 -0.000 0.573) 0.573 14.210 ( -0.693 0.000 -1.639) 1.779 14.906 ( 10.630 -0.000 2.789) 10.989 15.147 ( 9.234 -0.000 1.019) 9.290 18.057 ( -5.704 0.000 12.263) 13.524 18.444 ( 5.194 -0.000 -3.748) 6.405 19.678 ( 9.249 -0.000 -12.350) 15.429 19.771 ( 15.512 -0.000 14.757) 21.410 20.286 ( -2.970 0.000 1.453) 3.306 20.677 ( -1.523 0.000 -11.504) 11.604 22.154 ( -2.025 0.000 9.619) 9.830 22.654 ( 4.073 -0.000 -6.514) 7.683 45.755 ( 2.852 -0.000 -0.784) 2.957 45.833 ( 1.817 -0.000 1.787) 2.548 46.134 ( -7.221 0.000 1.021) 7.292 46.159 ( -3.827 0.000 -2.448) 4.543 98.838 ( 0.925 -0.000 1.189) 1.506 99.124 ( 4.301 -0.000 -1.650) 4.607 99.297 ( -1.839 0.000 0.575) 1.926 99.343 ( 0.253 -0.000 1.185) 1.211 99.655 ( -1.223 0.000 -0.588) 1.357 99.658 ( 1.312 -0.000 0.212) 1.329 100.372 ( -12.171 0.000 -11.328) 16.627 100.421 ( -3.212 0.000 5.692) 6.535 ======================= Grid point 245 (116/160) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 12.981 -0.000 14.106) 19.170 1.072 ( -2.819 0.000 15.021) 15.283 1.256 ( -5.235 0.000 -7.859) 9.443 1.376 ( -1.782 0.000 -10.500) 10.650 1.752 ( -6.333 0.000 13.849) 15.228 1.837 ( -3.030 0.000 2.371) 3.847 1.878 ( 4.043 -0.000 -1.548) 4.330 1.926 ( 3.031 -0.000 -5.153) 5.978 2.146 ( -1.088 0.000 3.726) 3.881 2.272 ( -3.161 0.000 -6.883) 7.574 2.336 ( -0.254 0.000 -1.745) 1.763 2.341 ( 4.166 -0.000 -3.966) 5.752 2.674 ( -0.056 0.000 1.150) 1.151 2.704 ( 0.688 -0.000 -1.902) 2.022 2.809 ( 5.348 -0.000 0.691) 5.393 2.812 ( -4.130 0.000 0.336) 4.144 3.171 ( -7.535 0.000 3.424) 8.276 3.193 ( 6.192 -0.000 1.347) 6.337 4.996 ( 1.218 -0.000 3.309) 3.526 5.085 ( -1.609 0.000 -5.998) 6.210 5.697 ( -0.281 0.000 2.055) 2.074 5.736 ( -0.268 0.000 -2.062) 2.079 6.030 ( -1.364 0.000 5.614) 5.777 6.132 ( 1.559 -0.000 -5.106) 5.339 6.305 ( 1.771 -0.000 0.749) 1.923 6.319 ( -1.110 0.000 -0.705) 1.315 7.657 ( 0.636 -0.000 1.330) 1.475 7.678 ( -0.583 0.000 -0.924) 1.093 8.547 ( -0.929 0.000 0.971) 1.344 8.573 ( 0.740 -0.000 -1.766) 1.914 13.997 ( 1.386 -0.000 2.174) 2.578 14.049 ( -3.290 0.000 -3.282) 4.648 15.207 ( 2.914 -0.000 4.302) 5.196 15.272 ( -0.328 0.000 -2.557) 2.577 18.251 ( -8.534 0.000 11.748) 14.520 18.443 ( 8.354 -0.000 -8.035) 11.591 19.638 ( -22.582 0.000 3.091) 22.792 19.703 ( 15.321 -0.000 -4.026) 15.841 20.304 ( -3.536 0.000 4.842) 5.996 20.432 ( 4.153 -0.000 -8.513) 9.472 22.359 ( -4.129 0.000 9.593) 10.444 22.533 ( 4.310 -0.000 -8.623) 9.640 45.791 ( -4.820 0.000 0.965) 4.916 45.807 ( 3.725 -0.000 -0.727) 3.795 46.049 ( -3.100 0.000 1.496) 3.442 46.082 ( 2.996 -0.000 -1.978) 3.590 98.920 ( 1.768 -0.000 2.673) 3.205 98.968 ( -4.686 0.000 -2.354) 5.244 99.276 ( -0.323 0.000 0.112) 0.342 99.277 ( 0.021 -0.000 0.018) 0.028 99.638 ( 0.645 -0.000 -0.065) 0.648 99.643 ( -0.349 0.000 -0.569) 0.667 100.446 ( -9.004 0.000 4.218) 9.943 100.528 ( 15.328 -0.000 -4.346) 15.932 ======================= Grid point 246 (117/160) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -5.886 -1.241 0.129) 6.017 1.201 ( 11.063 0.269 6.661) 12.916 1.277 ( 2.334 -2.688 4.201) 5.506 1.352 ( 4.139 -3.856 -9.258) 10.850 1.767 ( -5.036 -2.046 6.640) 8.581 1.825 ( -0.644 0.028 4.400) 4.447 1.915 ( 1.865 -2.834 -0.020) 3.392 1.988 ( 6.641 -1.711 -3.023) 7.494 2.152 ( -3.154 0.507 3.310) 4.600 2.221 ( -0.105 -0.771 -2.294) 2.422 2.356 ( 1.165 -2.483 -1.852) 3.309 2.378 ( 3.836 -1.940 -2.978) 5.230 2.663 ( -1.812 2.124 0.037) 2.792 2.669 ( -0.470 1.160 -0.022) 1.252 2.771 ( -0.851 1.577 -0.329) 1.822 2.864 ( 6.925 1.487 -0.201) 7.086 3.127 ( -6.127 -2.008 2.158) 6.799 3.281 ( 4.748 -1.864 -0.380) 5.115 5.008 ( -0.569 1.441 2.197) 2.688 5.028 ( -1.541 1.085 -2.770) 3.350 5.701 ( -1.145 0.194 2.011) 2.322 5.725 ( -0.308 -0.310 -1.279) 1.352 6.028 ( -1.881 1.091 5.248) 5.681 6.113 ( 0.880 0.930 -5.610) 5.754 6.281 ( -2.752 1.561 -0.819) 3.268 6.322 ( 1.282 0.040 0.167) 1.293 7.668 ( -0.541 -0.027 -0.905) 1.054 7.675 ( 0.762 -0.506 1.128) 1.452 8.547 ( -0.959 -0.554 1.053) 1.528 8.580 ( 1.019 -0.595 -1.234) 1.708 13.997 ( -2.911 0.777 -1.968) 3.598 14.008 ( 0.389 1.875 3.460) 3.954 15.184 ( -5.715 3.733 -0.369) 6.836 15.233 ( -1.378 0.152 -1.373) 1.952 18.213 ( -8.108 0.039 10.801) 13.505 18.487 ( 7.726 0.630 -8.653) 11.617 19.366 ( -22.705 5.223 11.209) 25.854 19.807 ( 12.204 4.531 -3.737) 13.544 20.283 ( -3.305 0.355 5.363) 6.310 20.425 ( 3.276 1.043 -7.852) 8.572 22.343 ( -4.969 1.625 9.052) 10.454 22.534 ( 5.023 0.626 -8.912) 10.250 45.744 ( -4.127 0.111 1.659) 4.449 45.827 ( 1.743 1.152 -0.332) 2.116 46.072 ( 0.185 -3.447 0.207) 3.458 46.145 ( 5.669 -2.906 -0.729) 6.412 98.899 ( -3.933 1.195 -0.125) 4.113 98.939 ( 1.034 1.207 2.999) 3.394 99.275 ( -0.503 -0.224 0.207) 0.588 99.311 ( 2.249 -1.660 0.335) 2.815 99.635 ( -1.321 -0.159 -0.918) 1.617 99.684 ( 3.664 -2.873 0.294) 4.665 100.369 ( -8.068 -0.594 1.809) 8.290 100.645 ( 12.637 0.930 -8.252) 15.122 ======================= Grid point 247 (118/160) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -1.387 -3.979 -1.402) 4.441 1.299 ( 4.211 -2.901 -8.683) 10.076 1.341 ( 7.149 -0.729 3.819) 8.138 1.506 ( 6.931 -4.367 6.455) 10.430 1.764 ( -3.782 -1.834 1.720) 4.541 1.841 ( -0.494 0.388 4.023) 4.071 2.006 ( 2.396 -3.359 0.445) 4.150 2.052 ( 2.079 -0.023 1.612) 2.630 2.124 ( -2.235 -4.993 -6.347) 8.379 2.274 ( 2.057 -0.839 4.469) 4.991 2.386 ( 1.584 -0.463 1.033) 1.947 2.461 ( 3.405 -3.020 -1.698) 4.857 2.621 ( -1.109 -0.143 0.333) 1.167 2.669 ( 0.412 -2.336 -0.863) 2.524 2.740 ( 1.204 2.515 -0.119) 2.791 2.915 ( 8.554 1.688 -1.213) 8.803 3.092 ( -5.965 -0.870 -1.015) 6.113 3.327 ( 2.367 1.165 0.242) 2.649 4.958 ( -2.260 1.206 -0.857) 2.701 5.010 ( -0.057 1.368 1.397) 1.956 5.680 ( -1.970 0.750 1.313) 2.483 5.731 ( -0.413 -0.777 0.501) 1.013 6.004 ( -2.373 1.788 3.540) 4.622 6.073 ( 0.203 1.392 -5.599) 5.773 6.208 ( -3.388 2.413 -1.085) 4.298 6.340 ( 1.526 -0.253 0.269) 1.570 7.652 ( -0.721 0.376 -1.346) 1.572 7.703 ( 0.846 -0.907 1.649) 2.063 8.551 ( -1.010 -0.792 0.954) 1.599 8.601 ( 1.167 -0.847 -0.593) 1.559 13.926 ( -4.073 3.907 0.216) 5.648 13.981 ( -1.394 1.790 2.725) 3.546 15.005 ( -9.894 5.945 -3.125) 11.958 15.237 ( 0.391 -2.106 -0.005) 2.142 18.179 ( -7.011 -0.024 9.906) 12.136 18.503 ( 6.122 1.557 -8.995) 10.992 19.142 ( -18.452 3.220 17.569) 25.680 19.762 ( 7.542 9.596 -10.177) 15.892 20.293 ( -1.280 -1.242 6.188) 6.440 20.405 ( 2.793 0.895 -6.836) 7.439 22.292 ( -5.492 2.471 9.038) 10.861 22.536 ( 5.425 1.124 -9.527) 11.021 45.714 ( -2.890 -0.198 0.837) 3.015 45.807 ( -0.056 2.100 -0.266) 2.118 46.143 ( 2.089 -3.790 -0.794) 4.399 46.277 ( 6.512 -4.680 1.327) 8.129 98.852 ( -2.420 0.549 0.208) 2.490 98.931 ( 0.511 2.207 2.166) 3.135 99.276 ( -0.539 -0.402 0.339) 0.753 99.357 ( 1.755 -0.752 0.848) 2.089 99.615 ( -2.059 -0.493 -1.082) 2.378 99.797 ( 5.267 -3.898 2.389) 6.974 100.324 ( -4.702 -1.816 0.676) 5.085 100.690 ( 8.173 1.961 -9.689) 12.827 ======================= Grid point 248 (119/160) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.377 -3.907 0.398) 3.945 1.373 ( 5.828 -5.043 -8.214) 11.264 1.445 ( 7.102 0.422 4.206) 8.265 1.658 ( 3.193 -3.142 8.099) 9.255 1.777 ( -2.064 -2.938 1.256) 3.804 1.841 ( 0.248 1.011 3.604) 3.751 2.036 ( -2.467 -2.963 -2.141) 4.409 2.094 ( 1.196 -1.296 2.754) 3.270 2.183 ( 1.647 -4.318 -5.561) 7.230 2.277 ( 0.678 3.180 -0.433) 3.280 2.401 ( -2.887 -0.922 5.455) 6.240 2.520 ( 1.579 -1.435 -1.419) 2.562 2.653 ( 1.101 -2.001 -0.839) 2.433 2.715 ( 3.133 2.475 2.443) 4.681 2.742 ( 0.051 -4.769 -3.615) 5.984 2.985 ( 9.184 0.262 -2.388) 9.493 3.030 ( -3.079 0.218 -2.867) 4.213 3.292 ( -1.390 4.569 2.563) 5.421 4.926 ( -1.452 0.222 0.006) 1.469 4.992 ( -0.108 1.198 0.477) 1.294 5.660 ( -1.446 0.171 1.874) 2.373 5.740 ( -1.002 -0.793 0.960) 1.599 5.950 ( -2.539 2.469 0.219) 3.548 6.029 ( -0.497 1.210 -3.405) 3.648 6.142 ( -1.620 1.594 -1.133) 2.539 6.360 ( 1.293 -0.143 0.289) 1.332 7.630 ( -0.587 0.626 -1.225) 1.496 7.732 ( 0.479 -0.828 1.698) 1.949 8.563 ( -0.758 -1.255 1.094) 1.829 8.619 ( 0.927 -0.242 -0.575) 1.118 13.795 ( -5.446 5.309 1.002) 7.671 13.958 ( -1.547 0.444 1.444) 2.162 14.793 ( -8.392 5.745 -2.512) 10.475 15.305 ( 2.459 -3.659 0.490) 4.436 18.159 ( -5.598 -0.332 9.520) 11.049 18.486 ( 4.220 2.304 -8.811) 10.037 19.028 ( -14.521 0.249 19.987) 24.707 19.616 ( 6.500 9.109 -15.929) 19.467 20.325 ( -1.080 -0.700 3.623) 3.845 20.404 ( 2.821 -0.497 -4.210) 5.092 22.247 ( -5.001 1.371 10.108) 11.360 22.521 ( 5.100 1.914 -10.720) 12.025 45.696 ( -1.699 -0.494 -0.032) 1.769 45.764 ( -0.708 2.411 -0.313) 2.532 46.218 ( 2.075 -2.943 -0.848) 3.699 46.420 ( 5.160 -3.933 2.014) 6.793 98.828 ( -1.440 0.056 -0.024) 1.442 98.905 ( 0.124 2.291 1.145) 2.564 99.280 ( -0.330 -0.452 0.366) 0.669 99.379 ( 0.907 0.010 0.665) 1.125 99.601 ( -1.847 -0.924 -0.890) 2.249 99.915 ( 4.009 -2.283 3.503) 5.793 100.333 ( -1.163 -2.353 1.591) 3.069 100.680 ( 4.332 1.728 -9.408) 10.501 ======================= Grid point 249 (120/160) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.656 -0.047 0.598) 0.889 1.478 ( 3.925 -1.805 -0.851) 4.404 1.515 ( 3.371 -1.630 0.680) 3.806 1.733 ( -0.075 -0.706 5.440) 5.486 1.807 ( -0.859 -1.705 -0.408) 1.953 1.856 ( 0.638 0.007 3.735) 3.789 2.068 ( -0.116 -2.779 -0.255) 2.793 2.134 ( 1.073 -1.875 0.528) 2.224 2.214 ( -1.569 3.021 -0.059) 3.405 2.217 ( 0.344 -0.983 -4.606) 4.722 2.422 ( -1.254 -1.014 7.250) 7.427 2.539 ( -1.145 -1.830 -1.686) 2.739 2.646 ( -0.830 1.713 0.614) 2.000 2.704 ( 0.469 3.626 -3.283) 4.914 2.770 ( -0.698 -2.214 -0.656) 2.412 2.989 ( -1.533 0.272 -3.326) 3.672 3.121 ( 10.371 -4.412 -2.768) 11.606 3.193 ( -4.276 5.296 3.796) 7.793 4.916 ( -0.533 -0.151 0.170) 0.580 4.978 ( -0.063 0.528 0.146) 0.552 5.661 ( -0.196 -0.217 1.381) 1.412 5.740 ( -2.162 -0.400 2.137) 3.066 5.900 ( 0.076 1.177 -1.274) 1.736 5.995 ( -0.317 0.675 -2.257) 2.377 6.113 ( -0.140 0.279 -1.316) 1.352 6.371 ( 0.541 0.188 0.316) 0.654 7.612 ( -0.156 0.519 -0.752) 0.927 7.752 ( -0.035 -0.456 1.352) 1.427 8.583 ( -0.538 -1.454 1.097) 1.900 8.621 ( 0.614 0.567 -0.893) 1.223 13.689 ( -2.754 2.192 0.751) 3.599 13.949 ( -0.746 -0.562 0.094) 0.938 14.648 ( -3.560 3.111 -0.377) 4.743 15.381 ( 1.946 -1.751 0.369) 2.643 18.160 ( -4.204 -0.907 9.558) 10.481 18.446 ( 2.979 2.386 -7.986) 8.851 18.999 ( -11.695 -2.239 20.696) 23.876 19.493 ( 7.977 5.859 -17.978) 20.523 20.325 ( -1.543 -0.059 1.159) 1.930 20.435 ( 2.426 -1.393 -2.935) 4.055 22.238 ( -4.311 -0.329 11.204) 12.009 22.490 ( 4.722 1.984 -11.598) 12.678 45.696 ( -0.549 -1.043 -0.223) 1.199 45.719 ( -0.504 2.131 -0.058) 2.191 46.264 ( 0.618 -1.351 -0.694) 1.639 46.515 ( 2.517 -1.630 1.226) 3.240 98.817 ( -0.775 0.041 0.200) 0.801 98.880 ( -0.031 1.038 0.483) 1.145 99.285 ( -0.135 -0.312 0.215) 0.402 99.386 ( 0.339 0.182 0.468) 0.605 99.596 ( -1.208 -0.923 -0.737) 1.690 99.981 ( 2.975 0.067 2.241) 3.725 100.373 ( -0.073 -1.711 2.855) 3.329 100.647 ( 0.941 0.962 -7.898) 8.012 ======================= Grid point 250 (121/160) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 0.869 5.194 2.997) 6.059 1.456 ( -6.171 3.420 0.791) 7.100 1.561 ( 1.516 -0.319 -2.698) 3.112 1.755 ( -0.433 -0.387 3.196) 3.249 1.818 ( 0.559 -1.052 -1.604) 1.998 1.886 ( 0.367 -1.440 1.095) 1.846 2.044 ( -0.932 5.361 1.513) 5.648 2.144 ( -2.530 2.491 1.004) 3.690 2.188 ( -1.057 0.809 -2.590) 2.912 2.216 ( -0.028 -5.176 -1.646) 5.431 2.476 ( 0.885 -0.832 8.137) 8.227 2.537 ( -1.720 -0.991 -1.684) 2.603 2.572 ( -1.592 5.441 1.793) 5.946 2.671 ( 0.908 -0.477 -0.218) 1.048 2.787 ( -0.521 -0.733 -0.939) 1.301 2.944 ( -3.101 0.816 0.926) 3.338 3.075 ( -6.286 3.690 1.465) 7.435 3.286 ( 8.270 -5.050 -5.261) 11.025 4.917 ( 0.296 0.029 0.079) 0.307 4.978 ( 0.000 -0.541 0.235) 0.590 5.669 ( 1.027 0.321 0.340) 1.128 5.736 ( -2.136 -0.702 2.956) 3.714 5.897 ( 2.082 0.476 -0.935) 2.332 5.989 ( 1.079 -0.847 -2.004) 2.428 6.117 ( 0.919 -1.148 -1.609) 2.179 6.370 ( -0.342 0.242 0.415) 0.589 7.606 ( 0.374 0.196 -0.061) 0.427 7.758 ( -0.479 -0.018 0.731) 0.874 8.603 ( -0.553 -0.993 0.891) 1.445 8.608 ( 0.420 1.032 -1.305) 1.716 13.689 ( 1.763 -2.461 0.709) 3.110 13.965 ( 1.134 -1.724 -1.627) 2.628 14.621 ( 1.826 -0.439 2.291) 2.963 15.390 ( -0.081 1.924 -0.485) 1.986 18.184 ( -3.062 -1.447 9.345) 9.940 18.407 ( 2.549 1.887 -6.359) 7.106 19.044 ( -8.865 -5.514 20.690) 23.174 19.439 ( 9.478 2.598 -16.994) 19.631 20.312 ( -2.193 -0.179 1.514) 2.671 20.464 ( 2.069 -1.360 -4.892) 5.483 22.264 ( -3.920 -1.676 11.605) 12.364 22.459 ( 4.602 1.158 -11.570) 12.506 45.688 ( 0.141 1.378 0.527) 1.482 45.718 ( 0.473 -1.661 0.056) 1.728 46.264 ( -1.346 0.491 -0.642) 1.570 46.531 ( -0.514 1.284 -0.395) 1.438 98.811 ( -0.104 0.320 0.771) 0.842 98.882 ( -0.106 -1.135 0.318) 1.184 99.288 ( -0.055 -0.065 -0.037) 0.092 99.387 ( -0.099 0.103 0.389) 0.414 99.596 ( -0.479 -0.598 -0.728) 1.057 100.003 ( 3.434 2.103 0.233) 4.034 100.401 ( -1.020 -0.853 1.556) 2.047 100.594 ( -2.530 0.986 -4.259) 5.051 ======================= Grid point 251 (122/160) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 1.036 7.945 6.170) 10.113 1.262 ( -10.693 8.910 3.065) 14.252 1.540 ( -3.563 -0.859 -4.927) 6.141 1.754 ( -1.455 1.381 0.167) 2.013 1.814 ( -1.597 0.783 -4.681) 5.008 1.894 ( -1.259 -0.911 -1.616) 2.242 1.973 ( 2.032 5.482 6.513) 8.752 2.060 ( -2.827 4.032 3.866) 6.261 2.146 ( -0.867 2.203 -1.496) 2.801 2.284 ( -1.282 -4.984 -1.727) 5.429 2.485 ( -1.741 1.850 0.432) 2.577 2.504 ( 1.690 2.180 -1.867) 3.331 2.558 ( -2.595 -1.479 7.328) 7.913 2.690 ( 1.707 1.757 1.589) 2.920 2.773 ( -2.905 -0.891 -2.711) 4.072 2.918 ( -3.787 -0.067 4.802) 6.116 2.977 ( -4.374 0.351 1.227) 4.557 3.390 ( 5.023 -2.105 -6.618) 8.571 4.922 ( 0.929 0.241 0.284) 1.001 5.002 ( 0.590 -2.289 -0.343) 2.389 5.676 ( 1.416 0.615 0.119) 1.549 5.743 ( -0.825 -0.930 1.244) 1.759 5.915 ( 1.644 0.136 2.514) 3.007 6.027 ( 3.017 -2.290 -2.667) 4.632 6.151 ( 1.970 -1.937 -1.801) 3.298 6.361 ( -1.098 0.188 0.211) 1.134 7.613 ( 0.767 -0.101 0.651) 1.011 7.749 ( -0.882 0.524 -0.013) 1.026 8.587 ( 0.345 1.176 -1.088) 1.639 8.610 ( -0.650 -0.293 0.069) 0.716 13.794 ( 4.070 -5.276 1.031) 6.742 14.007 ( 2.091 -2.722 -3.593) 4.969 14.718 ( 6.885 -3.542 4.959) 9.195 15.325 ( -0.751 4.306 -1.303) 4.562 18.224 ( -2.305 -1.757 8.730) 9.199 18.383 ( 2.273 1.364 -4.296) 5.048 19.182 ( -4.231 -9.668 16.862) 19.892 19.457 ( 8.998 -1.062 -12.064) 15.088 20.301 ( -2.663 -0.651 2.540) 3.738 20.473 ( 1.534 -0.803 -7.521) 7.717 22.306 ( -3.800 -2.003 10.934) 11.747 22.450 ( 4.705 -0.270 -10.385) 11.405 45.684 ( 1.040 0.345 1.172) 1.604 45.757 ( 0.938 -2.042 0.373) 2.278 46.218 ( -2.696 1.975 -0.759) 3.427 46.461 ( -3.231 4.153 -2.210) 5.707 98.816 ( 0.638 -0.176 1.139) 1.317 98.912 ( -0.470 -2.627 0.452) 2.706 99.286 ( 0.009 0.154 -0.239) 0.285 99.384 ( -0.597 0.034 0.220) 0.637 99.599 ( 0.384 -0.264 -0.686) 0.829 99.985 ( 3.210 4.331 -3.034) 6.186 100.377 ( -2.622 1.116 -2.894) 4.061 100.542 ( -4.072 0.158 3.826) 5.590 ======================= Grid point 252 (123/160) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -2.706 8.909 7.463) 11.933 1.065 ( -4.470 7.114 12.569) 15.119 1.473 ( -6.527 -1.020 -6.546) 9.300 1.636 ( -5.628 4.863 -5.692) 9.366 1.788 ( 0.050 -0.627 -1.072) 1.243 1.889 ( -3.573 7.691 13.137) 15.636 1.906 ( -0.522 -0.307 -0.695) 0.922 2.021 ( 0.308 2.767 -0.768) 2.888 2.112 ( 1.456 0.227 -1.867) 2.378 2.326 ( -2.213 -3.598 -2.194) 4.760 2.437 ( -4.775 2.427 -2.886) 6.085 2.444 ( -0.033 2.950 -0.087) 2.952 2.600 ( 0.059 -2.802 3.147) 4.214 2.658 ( 2.379 3.839 -0.357) 4.531 2.747 ( -3.681 -2.072 -0.927) 4.324 2.884 ( -6.668 -1.593 2.018) 7.146 3.016 ( 3.028 -1.468 6.412) 7.242 3.390 ( 0.977 2.525 -5.625) 6.243 4.934 ( 1.383 0.007 1.112) 1.775 5.055 ( 1.079 -3.664 -2.634) 4.640 5.682 ( 0.983 0.404 0.765) 1.309 5.752 ( 0.071 -0.429 -1.102) 1.185 5.954 ( 0.573 -1.042 5.575) 5.700 6.087 ( 3.633 -2.179 -3.949) 5.791 6.203 ( 2.960 -2.093 -0.700) 3.692 6.343 ( -1.405 0.255 -0.150) 1.436 7.628 ( 0.869 -0.163 1.157) 1.457 7.724 ( -1.124 0.942 -0.603) 1.585 8.570 ( 0.183 0.838 -0.537) 1.012 8.599 ( -0.608 0.504 -0.816) 1.135 13.911 ( 2.217 -3.547 1.255) 4.367 14.060 ( 1.302 -3.658 -4.811) 6.183 14.906 ( 9.517 -4.746 6.546) 12.488 15.257 ( 1.624 3.121 -1.374) 3.777 18.266 ( -3.423 -1.714 9.824) 10.544 18.373 ( 3.422 1.039 -4.565) 5.799 19.382 ( 6.513 -7.344 -0.253) 9.819 19.572 ( 0.300 -10.299 2.651) 10.639 20.301 ( -2.884 -1.211 3.573) 4.749 20.453 ( 1.305 0.045 -9.585) 9.674 22.340 ( -3.777 -1.217 9.647) 10.431 22.473 ( 4.713 -1.632 -8.663) 9.996 45.710 ( 2.011 -0.731 1.272) 2.489 45.800 ( 0.320 -1.953 0.460) 2.031 46.148 ( -2.422 2.508 -1.073) 3.648 46.317 ( -5.285 6.323 -3.033) 8.781 98.841 ( 1.476 -0.827 1.240) 2.098 98.955 ( -1.340 -3.621 -0.064) 3.862 99.282 ( 0.113 0.246 -0.271) 0.383 99.370 ( -1.531 0.463 -0.434) 1.657 99.608 ( 1.265 -0.178 -0.432) 1.348 99.881 ( -1.954 7.068 -6.438) 9.758 100.330 ( 2.773 2.056 -0.262) 3.462 100.531 ( -4.982 -0.881 6.962) 8.606 ======================= Grid point 253 (124/160) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 3.373 4.319 13.563) 14.628 1.035 ( 0.043 3.809 16.893) 17.317 1.376 ( -8.795 -0.897 -7.579) 11.644 1.478 ( -4.118 3.703 -7.938) 9.679 1.787 ( -4.651 3.326 11.304) 12.668 1.819 ( -0.628 -0.162 4.425) 4.473 1.888 ( -0.513 1.314 -1.473) 2.040 1.960 ( 0.218 2.930 -3.570) 4.624 2.137 ( -0.085 -1.788 -0.531) 1.867 2.329 ( -1.334 0.104 -0.423) 1.403 2.346 ( -1.645 0.463 -8.774) 8.939 2.371 ( -0.659 3.705 -1.074) 3.913 2.656 ( 3.263 0.428 0.382) 3.313 2.668 ( 0.350 -3.383 0.507) 3.439 2.757 ( -0.138 -1.862 1.041) 2.138 2.850 ( -5.504 -1.224 1.110) 5.747 3.103 ( 3.910 -1.218 5.187) 6.609 3.291 ( -3.218 5.494 -1.706) 6.592 4.962 ( 1.608 -0.402 2.322) 2.852 5.099 ( 0.199 -2.720 -5.533) 6.169 5.690 ( 0.278 0.130 1.518) 1.549 5.748 ( 0.024 0.061 -2.007) 2.008 6.002 ( -0.448 -1.286 5.953) 6.106 6.126 ( 2.603 -1.026 -4.958) 5.693 6.266 ( 2.925 -1.351 0.636) 3.284 6.328 ( -0.857 -0.069 -0.281) 0.905 7.644 ( 0.721 0.005 1.343) 1.524 7.695 ( -0.946 0.690 -0.799) 1.417 8.558 ( -0.621 0.554 0.534) 0.989 8.580 ( 0.190 0.539 -1.785) 1.874 13.967 ( 1.081 -1.223 1.236) 2.048 14.084 ( -1.879 -1.907 -4.372) 5.127 15.098 ( 7.732 -3.285 6.037) 10.345 15.257 ( 3.391 0.191 -1.283) 3.631 18.279 ( -7.470 -0.619 12.329) 14.429 18.392 ( 7.365 0.155 -7.375) 10.424 19.546 ( 14.119 -2.595 -7.567) 16.228 19.731 ( -12.689 -11.551 3.867) 17.589 20.308 ( -3.099 -1.158 4.365) 5.477 20.428 ( 3.152 -0.044 -9.491) 10.001 22.354 ( -4.044 -0.424 9.572) 10.400 22.512 ( 4.569 -1.531 -8.341) 9.633 45.758 ( 2.929 -1.253 0.376) 3.208 45.820 ( -1.877 -1.143 0.211) 2.207 46.090 ( -0.210 1.803 -1.557) 2.391 46.144 ( -5.699 5.638 -0.975) 8.076 98.881 ( 2.064 -0.832 1.578) 2.728 98.989 ( -2.685 -3.513 -2.092) 4.892 99.279 ( 0.111 0.186 -0.136) 0.256 99.323 ( -2.889 2.085 -0.921) 3.680 99.626 ( 1.401 -0.281 -0.138) 1.435 99.710 ( -3.779 5.374 -2.703) 7.104 100.388 ( 11.572 0.638 0.154) 11.591 100.509 ( -6.998 -0.293 6.069) 9.267 ======================= Grid point 255 (125/160) ======================= q-point: ( 0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -0.134 0.000 -6.736) 6.737 1.249 ( 1.328 -0.000 -10.854) 10.934 1.352 ( 6.076 -0.000 7.513) 9.663 1.415 ( 12.962 -0.000 6.636) 14.562 1.755 ( -1.403 0.000 6.350) 6.503 1.853 ( 1.348 -0.000 5.897) 6.050 1.901 ( 2.074 -0.000 -1.044) 2.322 2.014 ( 4.534 -0.000 -8.993) 10.071 2.190 ( -2.406 0.000 7.023) 7.424 2.211 ( 4.478 -0.000 -1.272) 4.656 2.324 ( 2.382 -0.000 1.008) 2.586 2.392 ( 4.458 -0.000 -3.501) 5.668 2.640 ( -4.827 0.000 -3.041) 5.705 2.683 ( -0.022 0.000 0.578) 0.578 2.797 ( 2.542 -0.000 -0.228) 2.553 2.922 ( 1.496 -0.000 1.491) 2.112 3.068 ( -0.227 0.000 -1.734) 1.749 3.318 ( 3.778 -0.000 1.271) 3.986 4.988 ( -2.965 0.000 -3.323) 4.454 5.037 ( -0.668 0.000 3.836) 3.894 5.705 ( -1.086 0.000 2.814) 3.016 5.708 ( -0.552 0.000 -1.641) 1.732 6.037 ( -2.491 0.000 4.904) 5.500 6.101 ( 0.260 -0.000 -5.620) 5.626 6.254 ( -4.005 0.000 -1.378) 4.235 6.325 ( -0.232 0.000 0.300) 0.380 7.660 ( -0.065 0.000 -1.417) 1.418 7.682 ( 0.431 -0.000 1.355) 1.422 8.541 ( -0.760 0.000 1.618) 1.787 8.579 ( 1.058 -0.000 -1.215) 1.611 13.969 ( -2.214 0.000 -0.419) 2.253 14.053 ( 0.475 -0.000 4.911) 4.934 15.106 ( -10.914 0.000 -6.266) 12.585 15.179 ( -7.547 0.000 0.760) 7.585 18.178 ( -7.373 0.000 10.134) 12.532 18.528 ( 6.664 -0.000 -9.598) 11.684 19.208 ( -22.662 0.000 13.017) 26.134 19.951 ( 7.214 -0.000 -0.706) 7.248 20.276 ( -2.668 0.000 6.456) 6.986 20.432 ( 2.688 -0.000 -6.860) 7.368 22.348 ( -5.101 0.000 9.174) 10.497 22.547 ( 4.949 -0.000 -9.763) 10.946 45.711 ( -3.287 0.000 1.760) 3.729 45.849 ( 0.250 -0.000 0.307) 0.396 46.076 ( 4.003 -0.000 1.318) 4.214 46.182 ( 7.250 -0.000 -1.476) 7.399 98.866 ( -3.665 0.000 0.451) 3.693 98.971 ( -0.094 0.000 4.196) 4.197 99.301 ( 1.661 -0.000 1.050) 1.965 99.310 ( 2.298 -0.000 -0.010) 2.298 99.658 ( 2.410 -0.000 -0.881) 2.566 99.667 ( 1.492 -0.000 -0.115) 1.497 100.291 ( -5.454 0.000 0.226) 5.459 100.731 ( 9.703 -0.000 -11.014) 14.678 ======================= Grid point 256 (126/160) ======================= q-point: ( 0.22 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 6.002 -1.828 -4.267) 7.588 1.245 ( 5.708 -2.327 -12.178) 13.649 1.461 ( 7.713 -0.796 6.152) 9.898 1.572 ( 7.041 -1.533 8.601) 11.221 1.754 ( 0.472 2.024 2.381) 3.161 1.885 ( 2.397 1.160 4.388) 5.133 1.977 ( 3.281 -3.477 -0.661) 4.826 2.013 ( -1.015 -2.780 -7.170) 7.756 2.123 ( 1.686 3.786 1.306) 4.346 2.312 ( 3.340 -1.553 2.953) 4.721 2.403 ( 4.614 -1.079 1.329) 4.922 2.454 ( 5.767 -2.167 -0.687) 6.199 2.570 ( -4.851 -1.205 -1.931) 5.358 2.666 ( 0.048 1.437 -0.639) 1.573 2.804 ( 2.242 2.290 0.762) 3.294 2.947 ( -1.772 -2.825 1.471) 3.645 3.077 ( 5.697 1.737 -4.092) 7.226 3.356 ( 1.260 -0.213 0.392) 1.337 4.940 ( -2.441 0.514 -1.765) 3.056 5.033 ( -1.270 0.979 2.750) 3.183 5.683 ( -0.845 1.078 0.311) 1.405 5.716 ( -1.021 -0.758 1.557) 2.011 6.017 ( -2.875 1.405 3.142) 4.485 6.068 ( -0.133 0.929 -5.330) 5.412 6.191 ( -4.509 1.039 -0.922) 4.718 6.329 ( -0.858 -1.186 0.262) 1.487 7.649 ( -0.002 0.481 -1.592) 1.663 7.699 ( 0.114 -0.942 1.446) 1.730 8.541 ( -0.790 -0.066 1.687) 1.864 8.595 ( 1.101 -0.950 -0.726) 1.626 13.940 ( -1.576 1.771 0.491) 2.421 14.040 ( -1.434 4.219 5.649) 7.195 14.920 ( -13.914 2.155 -6.115) 15.350 15.123 ( -8.964 -5.366 -0.809) 10.479 18.151 ( -6.204 -0.132 9.466) 11.319 18.537 ( 4.797 0.834 -10.247) 11.345 19.045 ( -18.843 0.530 16.894) 25.313 19.914 ( 0.798 7.032 -7.065) 10.000 20.305 ( 0.340 -0.400 8.455) 8.471 20.423 ( 2.621 0.892 -5.594) 6.241 22.313 ( -5.427 2.101 8.808) 10.556 22.555 ( 5.024 0.075 -10.334) 11.491 45.691 ( -1.854 0.033 1.231) 2.225 45.835 ( -0.418 1.573 -0.065) 1.629 46.143 ( 5.041 -1.295 0.868) 5.277 46.287 ( 7.504 -3.359 -0.358) 8.229 98.834 ( -2.361 0.211 0.620) 2.450 98.975 ( -0.467 1.364 3.393) 3.686 99.293 ( 1.169 1.708 0.508) 2.131 99.359 ( 1.281 -1.481 0.784) 2.109 99.621 ( 0.478 2.581 -0.766) 2.734 99.770 ( 3.404 -5.920 -0.113) 6.830 100.272 ( -0.538 -1.192 1.558) 2.035 100.748 ( 5.983 1.685 -11.540) 13.108 ======================= Grid point 257 (127/160) ======================= q-point: ( 0.33 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 6.795 -1.669 -3.123) 7.662 1.346 ( 10.230 -4.960 -7.788) 13.781 1.574 ( 7.716 1.269 3.939) 8.756 1.696 ( 2.665 -1.859 10.043) 10.556 1.754 ( 2.641 0.030 0.927) 2.799 1.903 ( 2.150 2.223 4.241) 5.249 1.965 ( -2.094 -0.827 -3.320) 4.012 2.085 ( 1.211 -3.417 1.558) 3.946 2.142 ( 4.093 -1.725 -4.498) 6.322 2.355 ( 2.873 1.418 0.380) 3.226 2.398 ( -0.445 3.003 2.721) 4.076 2.501 ( -0.712 0.039 -2.606) 2.702 2.611 ( -0.495 -5.639 0.558) 5.688 2.666 ( 1.764 -0.725 -2.143) 2.869 2.799 ( 2.684 2.049 2.404) 4.144 2.972 ( -0.913 -1.737 -1.181) 2.290 3.102 ( 8.359 2.035 -3.360) 9.236 3.337 ( -2.209 2.435 0.673) 3.356 4.911 ( -1.422 -0.058 -0.425) 1.485 5.010 ( -1.060 1.258 1.060) 1.957 5.665 ( -0.165 0.717 0.984) 1.229 5.722 ( -1.350 -0.649 1.871) 2.397 5.959 ( -2.488 2.410 -0.988) 3.602 6.028 ( -0.867 1.085 -2.357) 2.736 6.133 ( -2.872 0.588 -0.650) 3.002 6.343 ( -1.469 -1.762 0.136) 2.298 7.632 ( 0.142 0.683 -1.592) 1.738 7.723 ( -0.498 -1.234 1.580) 2.065 8.545 ( -0.688 -0.621 1.715) 1.949 8.618 ( 0.859 -0.784 -0.517) 1.273 13.851 ( -3.103 6.633 1.235) 7.426 13.983 ( -0.960 2.799 4.113) 5.067 14.718 ( -12.770 1.338 -4.698) 13.673 15.164 ( -7.204 -10.283 -0.642) 12.572 18.139 ( -4.998 -0.445 9.172) 10.455 18.511 ( 2.923 1.543 -10.211) 10.733 18.952 ( -14.904 -0.880 19.248) 24.360 19.738 ( 1.186 8.534 -14.284) 16.681 20.342 ( 0.201 0.877 5.869) 5.938 20.420 ( 2.982 0.401 -2.782) 4.098 22.265 ( -4.940 1.848 9.337) 10.724 22.548 ( 4.648 1.157 -11.242) 12.220 45.680 ( -0.608 0.036 0.295) 0.677 45.796 ( -0.338 2.349 -0.586) 2.445 46.220 ( 4.432 -1.203 0.643) 4.637 46.421 ( 5.672 -3.808 0.554) 6.854 98.815 ( -1.240 0.060 0.326) 1.284 98.950 ( -0.466 2.455 1.687) 3.015 99.284 ( 0.522 0.687 0.498) 0.996 99.384 ( 0.182 -0.476 0.336) 0.610 99.594 ( 0.292 1.111 0.284) 1.183 99.894 ( 2.732 -5.283 -0.942) 6.022 100.322 ( 2.327 -1.473 4.551) 5.320 100.709 ( 2.937 2.531 -10.238) 10.948 ======================= Grid point 258 (128/160) ======================= q-point: ( 0.44 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 6.634 -0.990 -3.669) 7.645 1.512 ( 9.719 -4.012 -2.578) 10.826 1.597 ( 4.185 5.109 1.420) 6.755 1.768 ( 0.629 -0.365 6.719) 6.759 1.794 ( 2.320 0.616 1.431) 2.794 1.904 ( 1.508 2.111 3.452) 4.319 1.997 ( 2.055 -4.693 -1.931) 5.475 2.141 ( -0.262 -2.028 2.628) 3.330 2.177 ( 0.731 -1.026 -4.538) 4.710 2.303 ( 1.631 7.051 2.284) 7.589 2.406 ( -1.323 -2.473 2.358) 3.664 2.475 ( -1.548 -0.988 -1.035) 2.108 2.657 ( -2.312 -1.963 -4.203) 5.183 2.683 ( 1.918 -0.500 0.018) 1.982 2.804 ( 2.201 2.727 2.270) 4.175 2.975 ( 0.058 0.329 -1.476) 1.513 3.164 ( 7.821 -0.931 -3.451) 8.599 3.241 ( -4.826 5.074 1.250) 7.113 4.906 ( -0.400 -0.553 0.197) 0.710 4.986 ( -0.707 0.824 0.127) 1.093 5.669 ( 1.090 -0.009 1.171) 1.600 5.723 ( -1.833 -0.279 2.426) 3.054 5.908 ( -0.017 0.830 -1.952) 2.122 5.994 ( -0.831 0.842 -1.352) 1.796 6.104 ( -1.311 -0.001 -0.834) 1.554 6.350 ( -2.360 -1.573 -0.217) 2.844 7.619 ( 0.587 0.586 -1.234) 1.487 7.739 ( -1.233 -1.069 1.403) 2.152 8.562 ( -0.544 -1.179 1.718) 2.154 8.629 ( 0.563 0.022 -0.736) 0.927 13.729 ( -1.255 5.005 1.315) 5.325 13.965 ( 1.103 1.531 2.223) 2.915 14.587 ( -8.538 -1.589 -2.258) 8.973 15.253 ( -7.489 -10.008 -0.738) 12.522 18.145 ( -3.989 -0.989 9.332) 10.197 18.465 ( 2.019 1.627 -9.479) 9.827 18.927 ( -12.115 -2.372 20.519) 23.946 19.575 ( 4.429 5.802 -18.129) 19.543 20.339 ( -0.124 1.733 3.116) 3.568 20.442 ( 2.647 -0.052 -1.329) 2.963 22.242 ( -4.493 0.449 10.349) 11.291 22.516 ( 4.424 1.951 -12.158) 13.084 45.682 ( 0.503 -0.414 -0.163) 0.671 45.754 ( 0.144 2.364 -0.490) 2.418 46.272 ( 2.730 0.034 0.728) 2.826 46.516 ( 2.687 -2.016 0.071) 3.360 98.809 ( -0.384 -0.217 0.275) 0.520 98.910 ( -0.412 2.331 0.584) 2.438 99.286 ( 0.292 0.083 0.488) 0.574 99.387 ( -0.361 -0.128 -0.059) 0.387 99.591 ( 0.568 0.444 1.258) 1.450 99.981 ( 2.445 -3.344 -3.067) 5.154 100.387 ( 1.879 -0.378 5.595) 5.914 100.645 ( 0.351 2.388 -7.170) 7.566 ======================= Grid point 259 (129/160) ======================= q-point: (-0.44 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 5.448 1.417 -2.315) 6.087 1.515 ( -1.218 7.349 0.787) 7.491 1.606 ( 5.446 2.773 -3.541) 7.063 1.793 ( -0.034 0.307 4.498) 4.509 1.801 ( 1.856 0.929 -1.227) 2.411 1.894 ( 0.612 1.496 -0.220) 1.631 2.081 ( 0.535 -2.677 -0.237) 2.740 2.164 ( -1.726 -1.804 -0.659) 2.582 2.178 ( 0.635 -0.623 2.623) 2.770 2.214 ( 2.802 7.539 2.008) 8.290 2.457 ( -1.484 -4.118 -1.530) 4.637 2.491 ( -1.514 -0.845 8.610) 8.782 2.645 ( -0.684 -0.701 -4.122) 4.237 2.682 ( 2.472 3.375 0.565) 4.221 2.782 ( -0.103 1.399 0.211) 1.418 2.951 ( -1.542 1.671 2.835) 3.635 3.085 ( -7.069 5.608 0.567) 9.041 3.266 ( 6.727 -3.668 -6.674) 10.161 4.917 ( 0.358 -0.559 0.293) 0.726 4.972 ( -0.603 0.069 0.070) 0.611 5.691 ( 1.506 0.002 0.970) 1.791 5.718 ( -1.377 -0.192 2.398) 2.771 5.915 ( 2.496 -0.534 -1.439) 2.930 5.980 ( 0.450 -0.432 -1.334) 1.473 6.098 ( -0.176 -0.973 -0.883) 1.326 6.342 ( -3.274 -1.395 -0.327) 3.574 7.617 ( 1.137 0.327 -0.548) 1.304 7.743 ( -1.749 -0.778 0.894) 2.113 8.583 ( -0.574 -1.175 1.424) 1.933 8.623 ( 0.422 0.790 -1.034) 1.368 13.702 ( 3.090 0.290 1.243) 3.343 13.975 ( 2.514 0.612 0.243) 2.599 14.576 ( -2.537 -5.169 0.831) 5.817 15.293 ( -9.239 -6.746 -1.693) 11.564 18.170 ( -3.334 -1.549 9.566) 10.248 18.423 ( 2.079 1.134 -8.329) 8.660 18.958 ( -10.070 -4.379 21.804) 24.413 19.488 ( 7.288 2.303 -18.966) 20.448 20.320 ( -0.610 1.808 3.213) 3.737 20.459 ( 2.368 0.013 -3.284) 4.048 22.248 ( -4.500 -1.050 10.906) 11.845 22.477 ( 4.588 1.681 -12.346) 13.278 45.703 ( 1.142 -0.887 -0.056) 1.447 45.725 ( 0.943 1.619 0.048) 1.874 46.281 ( 0.864 1.776 0.837) 2.146 46.536 ( -0.567 0.650 -1.355) 1.606 98.815 ( 0.215 -0.300 0.715) 0.805 98.881 ( -0.256 0.938 0.192) 0.991 99.290 ( 0.308 0.068 0.340) 0.463 99.382 ( -0.748 -0.101 -0.221) 0.787 99.600 ( 1.028 0.369 1.743) 2.057 100.025 ( 2.078 -1.523 -5.765) 6.315 100.416 ( 1.081 1.260 3.360) 3.747 100.578 ( -2.229 2.020 -1.858) 3.536 ======================= Grid point 260 (130/160) ======================= q-point: (-0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 2.946 5.117 -0.200) 5.908 1.352 ( -3.785 9.870 3.587) 11.163 1.518 ( -1.414 5.485 -6.310) 8.480 1.769 ( -2.417 2.482 -5.527) 6.523 1.809 ( 0.511 1.050 4.156) 4.317 1.881 ( 1.573 0.233 -1.675) 2.310 2.085 ( -0.554 1.826 2.079) 2.822 2.148 ( 1.761 4.208 -0.312) 4.572 2.180 ( 2.852 3.130 4.037) 5.850 2.221 ( 1.829 -1.804 1.409) 2.930 2.476 ( -1.854 -0.684 2.156) 2.925 2.529 ( -1.688 -0.781 4.259) 4.648 2.583 ( -1.265 4.352 2.181) 5.029 2.681 ( -0.875 -1.272 -1.350) 2.050 2.770 ( 0.473 1.098 -0.429) 1.270 2.873 ( -8.933 2.974 1.314) 9.507 2.995 ( 1.463 0.912 4.107) 4.455 3.349 ( 3.764 -3.855 -9.106) 10.581 4.932 ( 0.776 -0.329 0.390) 0.928 4.975 ( -0.360 -1.160 -0.027) 1.214 5.702 ( 0.041 0.315 1.495) 1.528 5.726 ( 0.469 -0.468 0.255) 0.711 5.944 ( 1.410 -0.015 1.980) 2.431 6.012 ( 3.367 -2.141 -3.121) 5.066 6.127 ( 1.523 -2.314 -0.818) 2.888 6.324 ( -3.923 -1.443 -0.252) 4.188 7.627 ( 1.519 0.102 0.298) 1.552 7.735 ( -2.001 -0.343 0.157) 2.036 8.596 ( -0.746 -0.643 0.828) 1.287 8.607 ( 0.481 1.181 -1.111) 1.692 13.783 ( 5.391 -3.122 1.538) 6.417 13.993 ( 1.706 -0.437 -2.123) 2.758 14.703 ( 4.139 -7.761 4.177) 9.737 15.262 ( -9.408 -3.847 -2.884) 10.565 18.208 ( -3.317 -1.881 9.944) 10.650 18.398 ( 2.600 0.559 -7.313) 7.782 19.057 ( -8.626 -7.732 22.554) 25.354 19.477 ( 9.026 -0.530 -18.134) 20.263 20.301 ( -1.174 1.446 3.902) 4.323 20.458 ( 2.010 0.373 -5.941) 6.283 22.275 ( -4.879 -2.138 10.722) 11.972 22.454 ( 5.101 0.513 -11.603) 12.685 45.713 ( 1.205 0.707 1.054) 1.750 45.743 ( 1.521 -1.378 -0.110) 2.055 46.246 ( -0.017 3.327 0.881) 3.442 46.472 ( -3.300 3.316 -3.081) 5.602 98.827 ( 0.578 -0.127 1.314) 1.442 98.880 ( -0.341 -0.992 0.092) 1.053 99.293 ( 0.556 0.260 0.286) 0.677 99.373 ( -1.207 -0.108 -0.363) 1.265 99.616 ( 1.835 0.550 1.980) 2.755 100.007 ( -0.977 0.853 -9.117) 9.209 100.410 ( 2.801 2.654 0.919) 3.966 100.526 ( -3.691 0.928 3.756) 5.347 ======================= Grid point 261 (131/160) ======================= q-point: (-0.22 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -2.835 8.568 5.736) 10.694 1.235 ( 2.367 6.771 6.546) 9.711 1.394 ( -2.608 3.561 -6.091) 7.522 1.627 ( -5.221 4.870 -7.726) 10.519 1.810 ( 0.992 1.617 3.467) 3.952 1.900 ( 2.474 0.053 -2.350) 3.413 2.023 ( -3.564 5.759 6.006) 9.052 2.077 ( -0.219 4.352 -2.343) 4.947 2.176 ( 3.353 3.935 3.047) 6.001 2.280 ( 2.658 -1.508 2.408) 3.891 2.421 ( -5.623 3.593 1.537) 6.847 2.483 ( -0.532 3.473 -2.335) 4.219 2.600 ( 2.423 -1.565 4.517) 5.360 2.678 ( -2.080 -1.683 0.110) 2.677 2.729 ( -0.006 3.650 -1.375) 3.900 2.778 ( -6.812 -2.589 -0.511) 7.305 3.066 ( 3.517 -1.378 7.916) 8.770 3.372 ( 0.657 -1.267 -9.932) 10.034 4.948 ( 0.830 -0.378 1.030) 1.376 4.999 ( -0.274 -2.461 -1.171) 2.739 5.702 ( -0.294 0.276 1.587) 1.637 5.737 ( 0.433 -0.414 -1.180) 1.324 5.968 ( -0.199 -0.528 4.482) 4.518 6.070 ( 3.604 -2.125 -4.849) 6.405 6.195 ( 3.498 -2.781 0.220) 4.474 6.304 ( -3.823 -1.560 -0.413) 4.150 7.646 ( 1.574 0.094 1.025) 1.881 7.713 ( -1.954 0.155 -0.577) 2.043 8.588 ( -0.068 1.073 -0.099) 1.080 8.595 ( -0.207 0.207 -0.569) 0.639 13.893 ( 2.864 -3.065 2.378) 4.822 14.009 ( 0.643 -1.858 -3.994) 4.452 14.919 ( 6.795 -7.683 6.567) 12.179 15.217 ( -5.824 -3.471 -4.009) 7.877 18.242 ( -5.149 -1.614 11.178) 12.413 18.396 ( 4.676 -0.031 -7.654) 8.970 19.221 ( -9.439 -11.659 21.029) 25.831 19.526 ( 10.005 -2.773 -15.965) 19.044 20.288 ( -1.752 0.661 4.601) 4.967 20.437 ( 1.926 0.663 -8.087) 8.339 22.305 ( -5.321 -2.418 9.903) 11.499 22.465 ( 5.598 -0.863 -10.205) 11.672 45.730 ( 1.415 -0.238 1.888) 2.372 45.777 ( 0.488 -1.442 -0.364) 1.566 46.193 ( 0.968 4.141 0.780) 4.324 46.340 ( -4.759 5.462 -4.101) 8.324 98.849 ( 1.054 -0.798 1.574) 2.056 98.897 ( -1.222 -1.864 0.142) 2.234 99.297 ( 1.013 0.520 0.497) 1.242 99.354 ( -1.794 0.216 -0.689) 1.934 99.640 ( 2.776 0.854 2.095) 3.581 99.886 ( -5.307 4.093 -9.253) 11.425 100.427 ( 6.538 1.740 1.130) 6.859 100.499 ( -3.458 0.044 3.743) 5.096 ======================= Grid point 262 (132/160) ======================= q-point: (-0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 2.258 3.032 12.755) 13.304 1.193 ( 0.619 4.630 3.335) 5.740 1.298 ( 0.512 4.213 -0.949) 4.349 1.464 ( -2.669 4.386 -10.566) 11.747 1.815 ( 0.295 0.685 3.549) 3.626 1.860 ( -4.854 3.819 1.319) 6.316 1.938 ( 0.964 4.076 4.543) 6.179 2.005 ( 0.834 3.445 -2.323) 4.238 2.161 ( 0.782 2.653 5.339) 6.013 2.297 ( -3.313 2.138 -6.890) 7.939 2.350 ( 2.669 0.167 2.867) 3.921 2.406 ( -0.135 2.907 -3.491) 4.545 2.642 ( -0.556 -0.654 3.105) 3.221 2.679 ( -0.561 1.364 -0.810) 1.682 2.748 ( 4.988 -3.395 0.917) 6.104 2.767 ( -3.050 -2.750 -1.096) 4.250 3.150 ( 0.552 -0.560 8.426) 8.462 3.316 ( -0.166 2.356 -8.561) 8.881 4.974 ( 0.658 -0.981 2.130) 2.435 5.026 ( -1.012 -2.646 -2.964) 4.100 5.702 ( -0.797 0.085 2.003) 2.158 5.736 ( -0.002 -0.007 -1.639) 1.639 5.999 ( -1.089 -1.282 5.268) 5.531 6.104 ( 2.057 -1.558 -5.762) 6.313 6.271 ( 1.461 -1.783 1.276) 2.635 6.295 ( -1.074 -1.734 -1.189) 2.361 7.664 ( 1.277 0.349 1.396) 1.924 7.687 ( -1.417 0.297 -1.008) 1.764 8.567 ( -0.920 1.012 0.654) 1.516 8.586 ( 0.735 0.610 -1.252) 1.575 13.958 ( 0.158 -2.179 2.797) 3.549 14.019 ( -1.460 -1.654 -3.690) 4.299 15.112 ( 2.377 -5.500 6.580) 8.899 15.221 ( -0.880 -3.616 -4.972) 6.211 18.243 ( -7.651 -0.601 11.454) 13.788 18.432 ( 7.302 -0.724 -8.097) 10.928 19.375 ( -15.996 -11.947 16.231) 25.730 19.634 ( 12.053 -4.260 -11.631) 17.283 20.284 ( -2.476 -0.170 5.073) 5.647 20.417 ( 2.864 -0.153 -8.626) 9.091 22.327 ( -5.414 -2.065 9.167) 10.845 22.501 ( 5.577 -1.430 -9.042) 10.719 45.759 ( -0.972 -0.891 2.645) 2.955 45.795 ( 0.719 -1.030 -1.237) 1.763 46.152 ( 3.338 3.967 0.305) 5.194 46.179 ( -3.755 6.103 -2.828) 7.703 98.890 ( 1.529 -1.546 1.816) 2.833 98.908 ( -2.676 -2.037 -0.003) 3.363 99.299 ( 0.189 0.904 1.000) 1.361 99.320 ( -0.881 1.239 -1.128) 1.893 99.662 ( 2.293 1.308 1.919) 3.264 99.726 ( -3.405 4.287 -5.017) 7.426 100.442 ( -6.518 0.003 4.719) 8.047 100.531 ( 11.608 0.093 -4.489) 12.446 ======================= Grid point 265 (133/160) ======================= q-point: ( 0.22 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 12.815 -0.000 -1.396) 12.890 1.243 ( 8.830 -0.000 -12.418) 15.237 1.552 ( 7.071 -0.000 5.155) 8.750 1.658 ( 2.662 -0.000 11.611) 11.913 1.825 ( 5.307 -0.000 -0.146) 5.309 1.943 ( 0.770 -0.000 -8.731) 8.765 1.957 ( 2.568 -0.000 4.390) 5.086 1.975 ( 3.661 -0.000 -0.918) 3.775 2.150 ( -4.376 0.000 3.985) 5.919 2.342 ( 6.114 -0.000 -4.244) 7.443 2.465 ( 4.741 -0.000 3.796) 6.074 2.477 ( -3.664 0.000 -4.677) 5.942 2.543 ( 7.253 -0.000 4.495) 8.533 2.682 ( 1.092 -0.000 0.160) 1.104 2.856 ( 2.572 -0.000 -0.486) 2.618 2.888 ( -3.621 0.000 2.603) 4.460 3.154 ( 8.357 -0.000 -4.922) 9.699 3.356 ( -0.477 0.000 -1.148) 1.244 4.911 ( -1.964 0.000 -1.550) 2.502 5.035 ( -2.113 0.000 2.464) 3.246 5.692 ( 0.575 -0.000 -1.355) 1.472 5.704 ( -1.517 0.000 3.332) 3.661 6.012 ( -3.464 0.000 3.378) 4.839 6.049 ( 0.270 -0.000 -6.459) 6.464 6.140 ( -5.585 0.000 -0.022) 5.585 6.301 ( -2.472 0.000 0.341) 2.495 7.648 ( 0.316 -0.000 -1.857) 1.884 7.695 ( -0.484 0.000 1.342) 1.427 8.543 ( -0.798 0.000 2.518) 2.641 8.593 ( 1.155 -0.000 -0.964) 1.504 13.954 ( 0.283 -0.000 1.485) 1.511 14.100 ( -1.194 0.000 6.893) 6.995 14.739 ( -16.362 0.000 -7.119) 17.843 14.927 ( -14.635 0.000 -1.832) 14.750 18.132 ( -5.209 0.000 8.940) 10.347 18.537 ( 3.101 -0.000 -11.120) 11.544 18.938 ( -16.351 0.000 18.394) 24.611 19.905 ( -5.084 0.000 -9.830) 11.067 20.363 ( 1.741 -0.000 10.330) 10.476 20.433 ( 2.526 -0.000 -4.435) 5.104 22.312 ( -5.867 0.000 8.874) 10.638 22.558 ( 5.206 -0.000 -11.644) 12.755 45.685 ( -0.655 0.000 1.303) 1.458 45.841 ( -0.761 0.000 -0.513) 0.918 46.202 ( 5.928 -0.000 1.689) 6.164 46.339 ( 8.111 -0.000 -1.369) 8.225 98.817 ( -1.648 0.000 0.886) 1.871 98.993 ( -1.071 0.000 3.351) 3.518 99.331 ( -0.368 0.000 0.963) 1.031 99.351 ( 1.353 -0.000 -0.159) 1.363 99.669 ( -0.116 0.000 -1.574) 1.579 99.727 ( 4.905 -0.000 -1.564) 5.148 100.295 ( 3.203 -0.000 5.192) 6.100 100.759 ( 3.822 -0.000 -11.879) 12.479 ======================= Grid point 266 (134/160) ======================= q-point: ( 0.33 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 12.740 3.035 -2.382) 13.311 1.354 ( 12.204 -4.988 -6.514) 14.705 1.661 ( 6.187 -1.193 4.179) 7.561 1.734 ( 0.307 -0.729 11.173) 11.201 1.843 ( 6.564 2.934 -2.352) 7.565 1.932 ( 0.929 -0.270 -4.321) 4.428 1.977 ( 1.596 1.518 4.426) 4.944 2.045 ( 1.853 -3.042 -0.721) 3.634 2.132 ( -1.754 -1.220 1.580) 2.657 2.362 ( -1.172 0.090 -2.299) 2.582 2.430 ( 1.564 -0.401 -5.297) 5.537 2.532 ( -0.492 -3.028 0.583) 3.123 2.590 ( 6.840 6.696 3.703) 10.263 2.708 ( 3.247 1.484 2.205) 4.196 2.848 ( 1.428 0.392 1.063) 1.823 2.928 ( 0.695 -3.447 -0.179) 3.521 3.202 ( 7.607 1.895 -4.273) 8.928 3.330 ( -2.700 0.514 -2.144) 3.486 4.891 ( -1.022 -0.276 -0.705) 1.272 5.014 ( -1.991 0.668 1.117) 2.379 5.687 ( 1.010 0.917 0.391) 1.419 5.710 ( -0.830 -0.417 2.138) 2.331 5.967 ( -2.546 2.204 -0.305) 3.381 6.019 ( -0.824 0.498 -3.045) 3.193 6.091 ( -4.210 -0.800 -0.013) 4.285 6.285 ( -3.680 -1.851 0.206) 4.124 7.638 ( 0.513 0.541 -1.824) 1.971 7.701 ( -1.126 -1.000 1.283) 1.979 8.545 ( -0.674 0.121 2.603) 2.692 8.610 ( 0.916 -0.891 -0.759) 1.486 13.938 ( 0.541 4.622 1.001) 4.760 14.059 ( -1.581 5.088 6.475) 8.386 14.540 ( -15.189 -0.945 -5.789) 16.282 14.858 ( -13.960 -11.460 -1.530) 18.126 18.124 ( -4.323 -0.328 8.684) 9.706 18.504 ( 1.658 0.703 -11.207) 11.350 18.875 ( -13.248 -0.859 19.946) 23.960 19.756 ( -4.058 4.021 -15.110) 16.154 20.405 ( 1.133 1.978 6.422) 6.814 20.447 ( 2.609 -0.021 -0.485) 2.653 22.279 ( -5.377 1.287 9.168) 10.706 22.555 ( 4.842 0.384 -12.409) 13.326 45.685 ( 0.236 0.311 0.720) 0.820 45.817 ( -0.621 1.251 -1.252) 1.875 46.273 ( 5.569 0.080 1.841) 5.866 46.435 ( 6.500 -2.212 -1.024) 6.942 98.808 ( -0.787 0.060 0.804) 1.126 98.981 ( -1.331 1.450 1.731) 2.621 99.308 ( -0.172 1.357 0.212) 1.384 99.372 ( -0.153 -0.907 -0.187) 0.938 99.636 ( 1.431 2.414 0.102) 2.808 99.826 ( 3.838 -5.190 -3.081) 7.153 100.369 ( 3.340 -0.488 8.165) 8.835 100.724 ( 2.367 1.802 -10.629) 11.038 ======================= Grid point 267 (135/160) ======================= q-point: ( 0.44 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 12.109 2.732 -3.909) 13.014 1.541 ( 10.105 -4.228 -1.295) 11.030 1.710 ( 2.742 2.997 2.458) 4.748 1.787 ( -0.005 0.011 5.440) 5.440 1.880 ( 4.257 0.614 1.860) 4.686 1.942 ( 3.276 -0.799 -2.142) 3.995 1.990 ( 2.728 1.468 2.600) 4.044 2.084 ( -1.800 -2.742 -2.424) 4.079 2.143 ( -3.871 -1.582 3.157) 5.240 2.336 ( -1.511 -2.000 -1.298) 2.822 2.457 ( 4.501 1.501 -0.677) 4.793 2.509 ( 3.078 5.365 0.375) 6.197 2.592 ( 0.296 -0.657 -0.421) 0.834 2.710 ( 1.969 1.311 0.070) 2.366 2.868 ( 1.635 1.171 1.516) 2.518 2.980 ( 1.691 -0.731 0.179) 1.851 3.211 ( 0.911 1.941 -2.684) 3.435 3.264 ( -0.635 2.584 -3.151) 4.124 4.893 ( -0.112 -0.779 0.065) 0.789 4.987 ( -1.483 0.658 0.031) 1.622 5.693 ( 0.588 0.487 2.792) 2.895 5.718 ( 0.630 -0.105 0.480) 0.799 5.916 ( 0.259 1.217 -1.630) 2.051 5.988 ( -1.737 0.557 -0.467) 1.883 6.072 ( -2.090 -1.139 -1.135) 2.638 6.276 ( -4.692 -2.515 -0.469) 5.344 7.630 ( 0.990 0.462 -1.516) 1.868 7.709 ( -1.906 -1.179 1.198) 2.542 8.553 ( -0.433 -0.444 2.548) 2.622 8.627 ( 0.559 -0.557 -0.872) 1.176 13.831 ( 0.355 7.435 1.380) 7.570 14.028 ( 1.381 2.381 3.997) 4.853 14.418 ( -10.475 -4.179 -3.400) 11.779 14.929 ( -13.349 -14.679 -1.308) 19.884 18.131 ( -3.680 -0.846 8.930) 9.695 18.454 ( 1.144 0.815 -10.580) 10.673 18.865 ( -10.748 -1.891 21.109) 23.763 19.589 ( 0.180 3.581 -19.033) 19.367 20.399 ( 1.102 2.765 3.810) 4.835 20.471 ( 2.175 0.540 0.662) 2.337 22.250 ( -4.864 0.932 10.068) 11.220 22.532 ( 4.468 1.356 -13.033) 13.844 45.690 ( 1.045 0.116 0.174) 1.066 45.783 ( -0.162 1.605 -1.249) 2.041 46.326 ( 4.140 1.057 1.973) 4.706 46.516 ( 3.310 -1.533 -1.143) 3.822 98.807 ( 0.028 -0.067 0.738) 0.742 98.940 ( -1.302 2.113 0.256) 2.495 99.296 ( 0.240 0.471 0.445) 0.691 99.375 ( -0.741 -0.416 -0.478) 0.974 99.629 ( 1.762 1.520 2.121) 3.148 99.920 ( 2.628 -4.426 -5.464) 7.507 100.439 ( 1.625 0.129 8.319) 8.477 100.663 ( 1.347 2.863 -7.633) 8.262 ======================= Grid point 268 (136/160) ======================= q-point: ( 0.56 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 9.569 3.552 -2.631) 10.541 1.612 ( 1.106 4.524 -1.233) 4.817 1.700 ( 3.855 2.895 -1.096) 4.944 1.787 ( -1.519 0.409 4.207) 4.491 1.883 ( 0.504 4.438 -2.270) 5.011 1.926 ( 0.493 1.436 -2.542) 2.960 2.039 ( 2.030 -3.088 0.233) 3.703 2.107 ( -0.823 -2.597 0.433) 2.758 2.174 ( -0.804 -3.214 8.709) 9.318 2.376 ( 0.466 -1.616 0.533) 1.764 2.416 ( 5.374 6.382 1.394) 8.459 2.516 ( 1.580 0.919 2.631) 3.204 2.597 ( -0.089 -1.512 -2.472) 2.899 2.719 ( 1.062 -0.329 -2.207) 2.471 2.843 ( 1.223 4.310 0.235) 4.487 2.981 ( -1.217 2.188 3.302) 4.144 3.101 ( -6.045 4.666 0.350) 7.644 3.256 ( 3.814 -0.695 -7.021) 8.021 4.910 ( 0.451 -0.930 0.386) 1.103 4.965 ( -1.158 0.224 -0.183) 1.193 5.697 ( -2.402 0.164 5.423) 5.934 5.737 ( 3.714 0.365 -2.400) 4.437 5.928 ( 2.932 -0.724 -0.609) 3.081 5.969 ( -0.368 -0.428 -0.689) 0.891 6.071 ( -0.726 -1.414 -1.029) 1.893 6.259 ( -5.410 -2.544 -1.079) 6.075 7.633 ( 1.610 0.199 -0.911) 1.861 7.709 ( -2.466 -1.089 0.936) 2.853 8.571 ( -0.377 -0.736 2.273) 2.419 8.630 ( 0.406 0.149 -1.202) 1.278 13.775 ( 4.051 3.104 1.794) 5.410 14.021 ( 0.398 1.840 1.170) 2.217 14.440 ( -1.663 -8.071 0.285) 8.245 14.993 ( -14.371 -12.578 -2.515) 19.262 18.154 ( -3.417 -1.395 9.527) 10.217 18.412 ( 1.535 0.351 -9.772) 9.898 18.899 ( -8.963 -3.018 22.471) 24.381 19.484 ( 4.141 1.009 -20.512) 20.950 20.380 ( 0.632 3.103 4.109) 5.188 20.480 ( 2.144 0.939 -1.809) 2.958 22.239 ( -4.923 0.002 10.811) 11.879 22.494 ( 4.569 1.638 -13.156) 14.022 45.707 ( 1.502 -0.437 0.035) 1.565 45.755 ( 0.258 1.301 -0.659) 1.481 46.342 ( 2.599 2.533 2.162) 4.224 46.533 ( -0.146 0.643 -2.075) 2.177 98.818 ( 0.604 -0.302 0.927) 1.146 98.897 ( -0.969 1.605 -0.186) 1.884 99.298 ( 0.498 0.155 0.592) 0.789 99.368 ( -1.062 -0.217 -0.638) 1.258 99.641 ( 1.923 1.058 3.491) 4.124 99.966 ( 0.591 -2.845 -8.108) 8.613 100.474 ( 0.846 1.169 6.087) 6.256 100.597 ( 0.364 3.233 -3.501) 4.780 ======================= Grid point 269 (137/160) ======================= q-point: (-0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 4.662 5.532 -0.592) 7.258 1.471 ( -3.796 9.104 -1.874) 10.040 1.610 ( 1.009 7.129 -2.613) 7.659 1.749 ( -4.424 2.944 -3.202) 6.204 1.842 ( 0.182 -0.274 3.834) 3.848 1.925 ( 3.125 1.556 -1.362) 3.747 2.090 ( 0.895 -0.855 0.335) 1.282 2.129 ( -2.563 -1.575 1.329) 3.289 2.270 ( 4.643 -0.343 4.868) 6.736 2.349 ( 3.045 5.180 3.594) 7.002 2.460 ( 3.732 -1.749 0.257) 4.130 2.507 ( -3.828 0.189 6.446) 7.499 2.614 ( 1.061 -0.395 -3.505) 3.683 2.690 ( -1.148 1.926 -2.202) 3.143 2.790 ( 0.718 4.104 -0.278) 4.176 2.864 ( -7.284 5.563 1.779) 9.337 3.050 ( 1.761 0.811 4.523) 4.921 3.278 ( 1.377 -2.895 -9.211) 9.753 4.932 ( 0.626 -0.751 0.465) 1.082 4.956 ( -0.811 -0.505 -0.034) 0.956 5.693 ( -2.722 -0.215 4.864) 5.578 5.751 ( 3.175 0.912 -3.203) 4.602 5.955 ( -1.271 -0.555 3.364) 3.639 6.007 ( 5.165 -1.766 -4.624) 7.154 6.105 ( 1.989 -2.675 0.185) 3.338 6.234 ( -5.711 -2.613 -1.104) 6.376 7.649 ( 2.004 0.031 -0.008) 2.004 7.700 ( -2.585 -0.875 0.368) 2.754 8.585 ( -0.511 -0.484 1.674) 1.815 8.621 ( 0.467 0.697 -1.362) 1.600 13.823 ( 5.504 -0.513 2.685) 6.146 13.989 ( -1.702 0.543 -2.059) 2.726 14.629 ( 6.169 -10.027 4.700) 12.676 15.004 ( -13.135 -9.957 -4.622) 17.118 18.186 ( -3.927 -1.698 10.389) 11.236 18.389 ( 2.661 -0.335 -9.184) 9.567 18.975 ( -8.264 -4.578 23.705) 25.518 19.454 ( 6.760 -1.625 -20.564) 21.708 20.353 ( 0.076 3.079 4.454) 5.415 20.469 ( 1.897 1.323 -4.586) 5.136 22.243 ( -5.345 -1.014 10.995) 12.267 22.465 ( 5.117 0.833 -12.520) 13.551 45.730 ( 1.051 -0.389 0.282) 1.156 45.745 ( 0.530 0.067 -0.133) 0.550 46.325 ( 2.154 3.846 2.391) 5.015 46.475 ( -2.764 3.023 -3.298) 5.259 98.835 ( 0.540 -0.310 1.310) 1.450 98.872 ( -0.518 0.370 -0.280) 0.695 99.306 ( 0.766 0.125 0.745) 1.076 99.354 ( -1.312 -0.107 -0.758) 1.519 99.668 ( 2.478 0.843 4.518) 5.221 99.941 ( -2.633 -0.414 -9.859) 10.213 100.482 ( -0.406 1.364 5.137) 5.330 100.544 ( 2.154 2.953 -2.116) 4.223 ======================= Grid point 270 (138/160) ======================= q-point: (-0.22 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -3.976 7.921 5.192) 10.272 1.320 ( 1.935 5.247 -5.291) 7.698 1.520 ( 3.646 7.650 3.291) 9.091 1.613 ( -4.993 4.556 -5.897) 8.970 1.853 ( -1.256 0.870 4.463) 4.717 1.926 ( 1.754 1.028 -2.949) 3.582 2.075 ( -2.616 2.682 2.235) 4.363 2.106 ( -0.186 2.111 -0.928) 2.314 2.293 ( 1.152 3.359 4.526) 5.753 2.336 ( 3.264 2.258 -0.294) 3.979 2.438 ( -5.584 3.192 7.464) 9.853 2.543 ( 1.797 3.047 -3.159) 4.743 2.614 ( 2.619 -2.244 1.590) 3.798 2.639 ( -4.074 -0.862 -1.316) 4.367 2.721 ( 2.452 3.009 1.868) 4.307 2.773 ( 0.613 3.052 -2.606) 4.060 3.106 ( 1.319 -1.504 7.315) 7.583 3.285 ( -0.717 -3.185 -10.597) 11.089 4.949 ( -0.146 -0.614 0.889) 1.090 4.964 ( -0.051 -1.212 -0.469) 1.300 5.690 ( -2.576 -0.462 3.646) 4.488 5.751 ( 2.066 0.879 -2.709) 3.519 5.965 ( -2.073 -1.044 3.855) 4.500 6.055 ( 3.221 -1.338 -5.540) 6.546 6.197 ( 4.852 -2.988 0.983) 5.782 6.215 ( -4.942 -2.936 -0.914) 5.821 7.671 ( 1.711 0.035 0.988) 1.976 7.685 ( -2.034 -0.436 -0.450) 2.128 8.588 ( -0.716 0.160 0.954) 1.204 8.609 ( 0.689 0.802 -1.085) 1.515 13.889 ( -0.983 -1.603 4.079) 4.491 13.969 ( 0.977 -0.980 -4.438) 4.648 14.875 ( 0.948 -9.248 8.671) 12.713 15.029 ( -1.339 -8.493 -7.555) 11.446 18.211 ( -5.699 -1.327 10.964) 12.428 18.399 ( 4.858 -1.207 -8.761) 10.090 19.077 ( -9.915 -6.200 23.686) 26.416 19.488 ( 8.462 -4.119 -19.509) 21.661 20.327 ( -0.488 2.617 4.788) 5.478 20.439 ( 1.697 1.431 -6.818) 7.170 22.256 ( -5.789 -1.776 10.578) 12.188 22.466 ( 5.761 -0.548 -11.297) 12.693 45.742 ( 0.048 -0.209 1.198) 1.217 45.759 ( 0.006 -1.057 -0.592) 1.211 46.296 ( 3.098 4.568 2.615) 6.108 46.359 ( -3.316 4.824 -4.002) 7.091 98.851 ( 0.134 -0.652 1.556) 1.692 98.869 ( -0.462 -0.554 -0.313) 0.786 99.316 ( 0.440 0.198 1.195) 1.289 99.337 ( -0.805 0.095 -0.982) 1.273 99.706 ( 2.795 1.083 5.326) 6.111 99.840 ( -4.251 2.250 -8.883) 10.102 100.458 ( -4.858 1.012 5.054) 7.083 100.550 ( 8.048 1.471 -4.436) 9.307 ======================= Grid point 271 (139/160) ======================= q-point: (-0.11 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -2.857 3.333 6.688) 8.000 1.263 ( 6.011 4.158 -3.124) 7.949 1.433 ( -2.293 6.017 -2.842) 7.039 1.502 ( 4.539 5.480 1.349) 7.243 1.837 ( -2.519 1.033 3.474) 4.414 1.863 ( -4.185 2.998 -0.977) 5.240 2.027 ( 1.301 2.759 1.844) 3.564 2.062 ( 1.171 3.369 0.343) 3.583 2.258 ( -0.963 3.996 1.031) 4.238 2.287 ( -2.917 3.429 -2.213) 5.016 2.376 ( -0.024 1.949 5.367) 5.710 2.480 ( 3.109 3.389 -2.173) 5.086 2.626 ( -1.937 -1.002 1.464) 2.627 2.686 ( -0.613 -0.523 1.479) 1.685 2.731 ( 1.795 1.937 -2.551) 3.672 2.783 ( 10.046 -1.787 -0.980) 10.250 3.152 ( -4.214 -0.941 4.840) 6.486 3.284 ( 1.339 -2.498 -6.704) 7.278 4.958 ( -1.364 -1.138 0.634) 1.886 4.984 ( 0.383 -1.270 -0.338) 1.369 5.686 ( -2.483 -0.568 2.476) 3.552 5.743 ( 0.734 0.796 -1.098) 1.542 5.982 ( -2.068 -1.633 3.872) 4.684 6.071 ( 1.186 -1.323 -5.889) 6.151 6.207 ( -3.791 -2.781 -0.855) 4.779 6.294 ( 4.200 -1.821 0.611) 4.618 7.665 ( -1.672 -0.303 -0.946) 1.945 7.693 ( 1.596 0.484 1.471) 2.224 8.573 ( -0.991 0.886 0.650) 1.480 8.603 ( 1.036 0.633 -0.712) 1.407 13.905 ( -4.765 -3.476 2.186) 6.290 13.978 ( 0.010 -0.422 -1.738) 1.788 14.983 ( -8.192 -8.666 1.467) 12.015 15.176 ( 8.088 -3.890 -1.386) 9.081 18.205 ( -7.043 -0.497 10.421) 12.588 18.447 ( 6.367 -1.817 -8.284) 10.605 19.155 ( -14.376 -6.062 21.062) 26.211 19.591 ( 9.424 -7.190 -15.962) 19.882 20.305 ( -1.081 1.896 5.257) 5.692 20.408 ( 2.219 0.511 -7.607) 7.940 22.272 ( -5.885 -2.177 9.782) 11.621 22.497 ( 5.938 -1.475 -10.045) 11.762 45.740 ( -2.188 -0.090 1.100) 2.451 45.777 ( 0.198 -1.661 -0.543) 1.759 46.225 ( -1.735 5.254 -2.585) 6.107 46.282 ( 5.215 4.849 1.898) 7.370 98.863 ( -1.708 -0.812 0.244) 1.906 98.884 ( 0.704 -1.566 1.228) 2.111 99.301 ( -1.819 0.751 0.230) 1.982 99.342 ( 1.770 0.279 0.396) 1.835 99.686 ( -4.320 2.535 -1.193) 5.149 99.776 ( 4.818 2.214 0.964) 5.389 100.400 ( -5.740 1.301 2.711) 6.480 100.612 ( 9.204 -0.612 -6.911) 11.526 ======================= Grid point 275 (140/160) ======================= q-point: ( 0.33 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 12.430 -0.000 -9.691) 15.761 1.396 ( 13.407 -0.000 4.849) 14.257 1.727 ( 4.941 -0.000 3.564) 6.093 1.783 ( -0.117 0.000 10.714) 10.715 1.884 ( 0.945 -0.000 -7.732) 7.789 1.962 ( 6.643 -0.000 -1.285) 6.767 2.021 ( -1.413 0.000 7.635) 7.765 2.034 ( 1.107 -0.000 -1.036) 1.516 2.096 ( -2.688 0.000 1.579) 3.117 2.321 ( -3.010 0.000 -1.481) 3.355 2.453 ( 6.819 -0.000 -6.575) 9.472 2.496 ( -1.189 0.000 -0.578) 1.322 2.771 ( 2.730 -0.000 3.639) 4.549 2.775 ( 6.013 -0.000 7.184) 9.368 2.858 ( 1.123 -0.000 -1.472) 1.852 2.891 ( 2.089 -0.000 -0.655) 2.189 3.275 ( 6.320 -0.000 -5.012) 8.066 3.282 ( -3.610 0.000 -4.298) 5.613 4.879 ( -0.243 0.000 -0.478) 0.537 5.000 ( -2.256 0.000 0.413) 2.293 5.710 ( -1.139 0.000 4.390) 4.535 5.714 ( 2.953 -0.000 -1.895) 3.509 5.962 ( -3.038 0.000 2.177) 3.737 6.003 ( 1.392 -0.000 -6.878) 7.018 6.031 ( -5.209 0.000 1.724) 5.487 6.221 ( -5.228 0.000 0.188) 5.232 7.641 ( 0.767 -0.000 -1.928) 2.075 7.684 ( -1.573 0.000 1.179) 1.966 8.552 ( -0.908 0.000 3.270) 3.394 8.609 ( 1.145 -0.000 -1.144) 1.619 14.000 ( 3.108 -0.000 0.266) 3.119 14.131 ( -2.381 0.000 7.734) 8.092 14.347 ( -13.069 0.000 -5.924) 14.349 14.572 ( -16.128 0.000 -1.360) 16.186 18.117 ( -3.707 0.000 8.464) 9.240 18.469 ( 0.729 -0.000 -11.472) 11.495 18.834 ( -10.893 0.000 21.057) 23.708 19.659 ( -4.508 0.000 -17.799) 18.361 20.464 ( 3.206 -0.000 -2.198) 3.887 20.472 ( -0.081 0.000 8.512) 8.513 22.274 ( -5.452 0.000 9.606) 11.045 22.552 ( 4.971 -0.000 -13.303) 14.202 45.696 ( 0.507 -0.000 0.813) 0.958 45.811 ( -0.820 0.000 -2.010) 2.171 46.345 ( 5.377 -0.000 2.542) 5.947 46.480 ( 6.017 -0.000 -1.722) 6.259 98.807 ( -0.242 0.000 1.126) 1.152 98.980 ( -2.059 0.000 0.542) 2.130 99.313 ( -0.856 0.000 -0.052) 0.858 99.362 ( -0.034 0.000 -0.396) 0.398 99.676 ( 1.654 -0.000 0.060) 1.655 99.815 ( 4.614 -0.000 -2.978) 5.491 100.438 ( 1.750 -0.000 10.199) 10.348 100.717 ( 2.662 -0.000 -10.289) 10.628 ======================= Grid point 276 (141/160) ======================= q-point: ( 0.44 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 12.361 3.513 -4.080) 13.482 1.586 ( 9.244 -3.152 2.774) 10.153 1.774 ( -0.214 0.947 4.208) 4.319 1.819 ( -0.545 0.594 6.036) 6.090 1.872 ( 2.668 -2.184 -6.373) 7.246 1.970 ( -1.976 1.343 -1.322) 2.730 2.036 ( -0.340 0.322 -0.743) 0.879 2.062 ( 0.683 -0.690 11.811) 11.850 2.094 ( 0.766 -0.528 -2.913) 3.058 2.304 ( 0.321 -0.709 -0.784) 1.105 2.482 ( 2.888 -0.767 -3.679) 4.740 2.521 ( 2.030 -2.208 -1.877) 3.538 2.736 ( 2.301 7.862 1.850) 8.398 2.772 ( 1.541 3.741 1.786) 4.423 2.890 ( 1.754 -0.827 1.097) 2.228 2.985 ( 3.603 -2.901 2.699) 5.356 3.203 ( -4.370 1.849 -4.333) 6.425 3.292 ( 2.975 1.334 -5.768) 6.626 4.884 ( 0.531 -0.543 0.088) 0.765 4.974 ( -1.996 0.224 -0.370) 2.042 5.714 ( -1.608 0.567 5.327) 5.593 5.742 ( 4.156 0.060 -2.435) 4.818 5.936 ( 0.062 1.058 0.484) 1.165 5.971 ( -2.219 0.538 -0.449) 2.327 6.020 ( -0.999 -1.862 -2.614) 3.362 6.177 ( -6.033 -1.989 -0.427) 6.367 7.640 ( 1.151 0.256 -1.593) 1.982 7.677 ( -2.036 -0.736 1.024) 2.395 8.558 ( -0.678 -0.066 3.230) 3.301 8.620 ( 0.913 -0.506 -1.323) 1.685 13.971 ( 2.008 7.504 -0.070) 7.768 14.086 ( -3.299 2.361 5.539) 6.866 14.243 ( -5.087 -3.342 -3.739) 7.144 14.542 ( -13.734 -13.515 -0.639) 19.279 18.124 ( -3.239 -0.471 8.806) 9.395 18.421 ( 0.511 0.176 -10.967) 10.981 18.837 ( -8.675 -0.993 22.003) 23.672 19.526 ( -1.320 1.067 -20.386) 20.457 20.470 ( 1.655 2.144 2.532) 3.707 20.504 ( 1.099 0.188 2.410) 2.656 22.257 ( -5.126 0.658 10.514) 11.715 22.536 ( 4.659 0.734 -13.713) 14.502 45.704 ( 0.781 0.117 0.639) 1.016 45.788 ( -0.660 0.565 -2.034) 2.212 46.401 ( 4.131 1.043 2.746) 5.069 46.530 ( 3.443 -0.438 -1.953) 3.983 98.814 ( 0.376 -0.014 1.340) 1.392 98.946 ( -2.243 1.025 -0.707) 2.566 99.306 ( 0.095 0.245 0.400) 0.479 99.359 ( -0.646 -0.246 -0.564) 0.892 99.685 ( 2.076 1.451 1.955) 3.200 99.865 ( 2.541 -2.673 -4.888) 6.123 100.491 ( -0.463 0.137 10.031) 10.042 100.689 ( 3.323 1.865 -8.812) 9.601 ======================= Grid point 277 (142/160) ======================= q-point: ( 0.56 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 10.029 4.483 -0.469) 10.995 1.665 ( -0.503 1.466 0.310) 1.581 1.757 ( -0.986 2.478 1.976) 3.320 1.818 ( -1.012 0.170 5.355) 5.452 1.859 ( -3.443 2.022 -8.070) 9.004 1.939 ( 1.549 -0.768 -1.274) 2.148 2.033 ( 0.632 -0.808 1.402) 1.737 2.090 ( -0.189 -0.408 -0.885) 0.992 2.163 ( 2.116 -3.008 11.023) 11.621 2.340 ( 1.401 -2.480 -1.146) 3.070 2.515 ( 0.520 -1.552 0.360) 1.676 2.560 ( 3.129 -0.356 -2.458) 3.995 2.647 ( 3.454 7.134 -0.437) 7.938 2.718 ( -1.322 2.802 -1.976) 3.674 2.916 ( 1.727 1.595 3.003) 3.814 3.033 ( 0.763 2.951 3.271) 4.471 3.100 ( -3.901 1.961 -1.654) 4.669 3.255 ( 0.595 1.369 -7.034) 7.190 4.905 ( 0.914 -0.807 0.507) 1.320 4.951 ( -1.593 0.004 -0.579) 1.695 5.706 ( -2.518 0.833 5.826) 6.401 5.773 ( 4.368 0.355 -3.435) 5.568 5.936 ( -3.093 -0.495 3.819) 4.939 5.965 ( 4.739 -0.529 -3.496) 5.912 6.033 ( 0.101 -1.858 -1.330) 2.287 6.148 ( -5.802 -2.695 -1.574) 6.588 7.647 ( 1.723 -0.070 -1.061) 2.024 7.670 ( -2.448 -0.829 0.916) 2.742 8.570 ( -0.430 -0.385 2.928) 2.984 8.628 ( 0.688 -0.240 -1.671) 1.823 13.892 ( 2.843 4.934 2.617) 6.267 14.028 ( -3.979 1.550 -0.594) 4.311 14.331 ( 4.544 -7.704 1.964) 9.158 14.616 ( -12.605 -13.452 -2.913) 18.664 18.144 ( -3.125 -0.915 9.624) 10.160 18.380 ( 1.099 -0.232 -10.239) 10.301 18.880 ( -7.011 -1.798 23.074) 24.183 19.427 ( 2.586 -0.193 -21.631) 21.786 20.455 ( 0.354 2.919 3.990) 4.956 20.512 ( 2.044 1.119 -1.374) 2.705 22.243 ( -5.060 0.672 11.410) 12.499 22.504 ( 4.541 1.286 -13.661) 14.454 45.717 ( 0.961 -0.200 0.568) 1.134 45.763 ( -0.574 0.607 -1.448) 1.672 46.424 ( 2.744 2.212 2.864) 4.541 46.536 ( 0.164 0.960 -2.504) 2.686 98.828 ( 0.864 -0.089 1.569) 1.794 98.902 ( -1.817 1.092 -0.991) 2.340 99.310 ( 0.581 0.133 0.750) 0.958 99.350 ( -0.990 -0.128 -0.730) 1.237 99.698 ( 1.908 1.171 3.973) 4.560 99.891 ( -0.015 -2.158 -7.265) 7.579 100.514 ( -2.245 0.622 8.523) 8.836 100.652 ( 4.308 3.127 -7.136) 8.902 ======================= Grid point 278 (143/160) ======================= q-point: (-0.33 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -1.528 7.131 3.859) 8.250 1.556 ( 0.150 7.764 -5.984) 9.803 1.687 ( -2.677 2.257 3.254) 4.780 1.753 ( -1.286 4.160 -3.758) 5.752 1.855 ( -0.333 -0.350 5.350) 5.372 1.949 ( 1.440 0.220 -3.799) 4.069 2.062 ( -2.870 -1.736 3.656) 4.962 2.113 ( 3.075 -1.536 -2.363) 4.171 2.284 ( -0.133 -4.332 8.865) 9.867 2.378 ( -0.232 -1.117 -1.267) 1.705 2.528 ( -1.056 1.005 4.243) 4.486 2.557 ( 2.592 4.859 1.453) 5.695 2.600 ( 0.550 1.120 -3.412) 3.633 2.655 ( -0.191 -0.563 -6.454) 6.481 2.885 ( -3.791 4.018 3.551) 6.567 2.935 ( 3.895 7.473 -0.958) 8.482 3.091 ( 0.582 0.284 4.232) 4.281 3.212 ( -1.014 -0.544 -7.672) 7.757 4.929 ( 0.667 -0.686 0.588) 1.123 4.938 ( -0.849 -0.501 -0.290) 1.028 5.692 ( -2.587 0.593 5.333) 5.957 5.783 ( 3.038 1.036 -4.220) 5.302 5.928 ( -4.242 -1.174 3.928) 5.899 6.018 ( 4.894 -1.052 -5.362) 7.336 6.091 ( 3.070 -3.131 1.841) 4.756 6.127 ( -3.771 -2.632 -2.048) 5.035 7.660 ( -2.470 -0.770 0.709) 2.682 7.669 ( 2.091 -0.378 -0.370) 2.157 8.584 ( -0.377 -0.312 2.342) 2.393 8.626 ( 0.626 0.212 -1.903) 2.014 13.880 ( -2.667 1.136 5.241) 5.990 13.976 ( 3.326 1.486 -4.825) 6.045 14.547 ( -1.912 -10.705 8.273) 13.663 14.699 ( 0.735 -11.544 -7.725) 13.910 18.170 ( -3.802 -1.044 10.524) 11.238 18.362 ( 2.513 -1.039 -9.554) 9.933 18.951 ( -6.630 -2.331 24.022) 25.029 19.389 ( 5.575 -2.128 -21.843) 22.644 20.424 ( -0.480 3.092 3.803) 4.925 20.497 ( 2.123 2.040 -3.897) 4.884 22.234 ( -5.194 0.305 11.872) 12.962 22.473 ( 4.847 0.920 -13.052) 13.953 45.733 ( 0.211 -0.452 0.560) 0.750 45.745 ( -0.425 0.253 -0.744) 0.893 46.421 ( 2.339 3.043 3.036) 4.894 46.480 ( -2.206 2.800 -3.216) 4.801 98.844 ( 0.221 0.071 1.757) 1.773 98.870 ( -0.666 0.470 -0.924) 1.233 99.319 ( 0.602 0.058 1.027) 1.192 99.337 ( -0.895 -0.042 -0.858) 1.241 99.727 ( 1.849 0.491 5.762) 6.072 99.863 ( -2.272 -0.491 -8.508) 8.820 100.499 ( -4.206 1.348 6.720) 8.041 100.626 ( 6.305 2.995 -6.519) 9.551 ======================= Grid point 279 (144/160) ======================= q-point: (-0.22 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -8.399 6.668 2.674) 11.053 1.458 ( 5.610 7.769 -1.119) 9.648 1.604 ( -4.758 4.320 -0.807) 6.477 1.688 ( 3.388 5.359 2.513) 6.820 1.854 ( -3.168 0.204 3.415) 4.663 1.936 ( 0.117 1.015 -3.152) 3.313 2.058 ( -3.472 -0.455 3.036) 4.634 2.155 ( 3.296 0.109 -1.585) 3.658 2.319 ( -4.907 1.662 -0.695) 5.227 2.369 ( -1.230 -0.585 6.103) 6.253 2.459 ( -4.208 3.510 -1.296) 5.631 2.549 ( -4.410 -0.545 2.029) 4.886 2.585 ( 3.498 -1.670 -0.328) 3.890 2.659 ( 3.137 2.156 -1.768) 4.197 2.815 ( 1.965 1.496 -1.844) 3.082 2.889 ( 8.193 7.175 -0.048) 10.891 3.114 ( -1.488 -0.509 4.787) 5.039 3.181 ( -1.923 -2.234 -6.797) 7.408 4.935 ( -0.877 -0.606 0.209) 1.086 4.953 ( 0.711 -0.694 0.236) 1.022 5.681 ( -2.419 0.322 4.244) 4.895 5.774 ( 1.790 1.076 -3.404) 3.993 5.923 ( -4.215 -1.968 3.473) 5.805 6.041 ( 1.620 -0.599 -5.459) 5.726 6.120 ( -2.413 -2.648 -1.093) 3.746 6.211 ( 5.901 -3.127 1.343) 6.812 7.648 ( -2.231 -0.676 0.144) 2.335 7.698 ( 2.127 -0.264 0.511) 2.204 8.592 ( -0.321 0.142 1.579) 1.617 8.619 ( 0.571 0.423 -1.629) 1.777 13.830 ( -7.315 -0.747 2.113) 7.651 13.993 ( 4.522 1.524 -2.597) 5.433 14.656 ( -10.205 -11.362 2.886) 15.542 14.964 ( 15.181 -9.380 -1.429) 17.902 18.185 ( -5.131 -0.619 10.473) 11.679 18.382 ( 4.311 -2.065 -8.448) 9.707 19.022 ( -8.364 -2.437 23.910) 25.448 19.410 ( 7.512 -4.130 -21.097) 22.773 20.385 ( -1.093 2.744 3.184) 4.343 20.460 ( 1.927 2.511 -5.444) 6.298 22.232 ( -5.294 -0.224 11.742) 12.882 22.464 ( 5.327 -0.308 -12.052) 13.180 45.735 ( -1.267 -0.874 -0.191) 1.551 45.741 ( -0.422 0.144 0.311) 0.544 46.378 ( -2.579 4.136 -2.630) 5.539 46.416 ( 3.237 3.299 2.351) 5.186 98.843 ( -1.241 -0.335 0.805) 1.517 98.866 ( 0.556 0.201 0.030) 0.592 99.315 ( -1.205 0.255 -0.023) 1.232 99.340 ( 1.203 -0.220 0.468) 1.310 99.753 ( -2.440 1.210 1.353) 3.041 99.809 ( 1.426 0.136 -1.889) 2.371 100.451 ( -4.496 1.803 4.299) 6.477 100.630 ( 6.862 1.715 -6.843) 9.841 ======================= Grid point 280 (145/160) ======================= q-point: (-0.11 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -3.273 2.830 4.217) 6.042 1.407 ( 6.123 5.691 0.372) 8.368 1.472 ( -1.888 5.592 -4.020) 7.141 1.658 ( 2.796 4.855 6.062) 8.254 1.833 ( -2.437 0.210 3.127) 3.970 1.865 ( -3.680 3.389 -1.305) 5.170 2.058 ( 0.343 -0.259 1.950) 1.997 2.143 ( 0.325 4.221 0.310) 4.245 2.255 ( -2.194 -0.288 -1.694) 2.787 2.291 ( -4.042 3.981 -4.064) 6.979 2.418 ( -4.203 -0.444 6.179) 7.486 2.529 ( 1.765 1.732 -0.497) 2.523 2.641 ( 3.724 -0.690 1.044) 3.929 2.668 ( -0.521 -0.814 0.688) 1.186 2.805 ( 3.612 3.223 -3.988) 6.272 2.900 ( 10.670 3.226 -1.370) 11.230 3.088 ( -4.756 -0.325 -2.410) 5.342 3.214 ( -0.933 -4.752 1.577) 5.093 4.934 ( -1.157 -0.433 0.241) 1.259 4.972 ( 0.422 -0.848 0.153) 0.959 5.669 ( -2.178 0.135 3.011) 3.718 5.758 ( 0.205 0.899 -1.068) 1.411 5.934 ( -3.050 -2.506 1.991) 4.421 6.034 ( -0.219 -0.897 -4.547) 4.640 6.134 ( -1.132 -1.947 -1.369) 2.636 6.314 ( 4.197 -1.910 0.844) 4.688 7.637 ( -1.516 -0.566 -0.622) 1.734 7.723 ( 1.502 0.195 1.318) 2.008 8.584 ( -0.498 1.016 1.011) 1.517 8.615 ( 0.736 0.095 -0.976) 1.226 13.790 ( -6.734 -3.009 0.942) 7.435 13.979 ( -0.501 1.329 -0.797) 1.629 14.748 ( -6.567 -9.789 -0.041) 11.788 15.222 ( 11.259 -4.024 0.764) 11.981 18.178 ( -5.774 -0.044 9.831) 11.402 18.434 ( 4.928 -2.610 -7.861) 9.638 19.057 ( -11.719 -1.735 22.091) 25.067 19.488 ( 8.233 -6.636 -18.838) 21.603 20.346 ( -1.430 1.908 2.701) 3.603 20.419 ( 2.242 1.916 -5.343) 6.103 22.236 ( -5.237 -0.759 11.062) 12.263 22.485 ( 5.495 -1.576 -11.104) 12.489 45.725 ( -1.682 0.476 0.019) 1.749 45.742 ( -1.184 -1.718 -0.114) 2.089 46.277 ( -0.884 4.145 -2.337) 4.839 46.417 ( 4.591 3.572 2.694) 6.410 98.840 ( -1.317 -0.467 0.147) 1.405 98.873 ( 0.229 -0.756 0.640) 1.017 99.296 ( -1.082 0.537 -0.003) 1.208 99.361 ( 1.330 -0.231 0.758) 1.548 99.668 ( -3.909 2.189 -2.903) 5.338 99.864 ( 4.389 0.173 5.090) 6.723 100.390 ( -3.563 2.172 2.112) 4.677 100.651 ( 5.943 -0.043 -8.115) 10.058 ======================= Grid point 285 (146/160) ======================= q-point: ( 0.44 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 9.650 -0.000 -3.958) 10.430 1.663 ( 2.296 -0.000 6.034) 6.456 1.758 ( -3.235 0.000 2.689) 4.206 1.833 ( -2.431 0.000 3.242) 4.052 1.861 ( 4.227 -0.000 -4.414) 6.112 1.960 ( -4.728 0.000 5.081) 6.940 2.037 ( 1.744 -0.000 -1.183) 2.108 2.069 ( -1.448 0.000 1.983) 2.455 2.141 ( 5.020 -0.000 1.836) 5.346 2.306 ( 1.834 -0.000 -2.199) 2.863 2.468 ( -1.320 0.000 0.735) 1.511 2.525 ( 4.293 -0.000 -5.625) 7.076 2.799 ( -0.620 0.000 2.372) 2.451 2.824 ( -2.080 0.000 0.858) 2.250 2.930 ( 4.453 -0.000 0.026) 4.454 3.015 ( 3.694 -0.000 6.269) 7.277 3.152 ( -3.050 0.000 -5.398) 6.200 3.294 ( 0.252 -0.000 -6.764) 6.769 4.890 ( 1.291 -0.000 0.411) 1.355 4.951 ( -2.053 0.000 -0.849) 2.222 5.724 ( -2.467 0.000 5.714) 6.224 5.777 ( 4.830 -0.000 -3.307) 5.853 5.927 ( -4.529 0.000 4.113) 6.118 5.980 ( 1.931 -0.000 0.061) 1.932 5.985 ( 2.602 -0.000 -6.130) 6.659 6.093 ( -6.159 0.000 -0.410) 6.173 7.648 ( 1.390 -0.000 -1.516) 2.057 7.654 ( -2.053 0.000 1.074) 2.317 8.564 ( -0.843 0.000 3.368) 3.472 8.620 ( 1.146 -0.000 -1.799) 2.133 14.045 ( -10.111 0.000 6.371) 11.951 14.079 ( 5.792 -0.000 -4.820) 7.535 14.222 ( 4.428 -0.000 -3.188) 5.456 14.269 ( -11.622 0.000 2.955) 11.991 18.129 ( -2.763 0.000 9.219) 9.624 18.376 ( 0.406 -0.000 -10.548) 10.556 18.852 ( -6.438 0.000 22.861) 23.750 19.427 ( 0.308 -0.000 -21.650) 21.652 20.514 ( -1.695 0.000 4.995) 5.275 20.525 ( 3.805 -0.000 -1.372) 4.044 22.259 ( -5.091 0.000 11.445) 12.526 22.527 ( 4.544 -0.000 -13.919) 14.642 45.715 ( 0.429 -0.000 1.020) 1.106 45.774 ( -0.754 0.000 -2.216) 2.341 46.460 ( 2.674 -0.000 2.962) 3.991 46.548 ( 1.945 -0.000 -2.366) 3.063 98.827 ( 0.792 -0.000 1.914) 2.071 98.922 ( -2.543 0.000 -1.519) 2.962 99.312 ( 0.476 -0.000 0.657) 0.811 99.348 ( -0.753 0.000 -0.571) 0.945 99.728 ( 1.868 -0.000 2.014) 2.747 99.844 ( 1.038 -0.000 -4.433) 4.553 100.523 ( -2.495 0.000 10.088) 10.392 100.707 ( 4.919 -0.000 -9.383) 10.595 ======================= Grid point 286 (147/160) ======================= q-point: (-0.44 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -8.222 1.172 2.677) 8.726 1.638 ( 4.011 -0.404 0.500) 4.063 1.788 ( -4.784 2.063 1.013) 5.307 1.804 ( 2.080 0.330 4.799) 5.240 1.881 ( 1.926 0.833 -1.291) 2.464 1.935 ( 0.188 -0.089 -1.579) 1.593 2.040 ( 0.304 0.762 0.236) 0.854 2.065 ( -0.893 -0.989 -0.037) 1.332 2.204 ( 2.396 -0.855 5.194) 5.784 2.319 ( 1.816 -1.002 -3.643) 4.192 2.473 ( -2.556 -1.851 1.960) 3.715 2.550 ( 2.913 -1.919 -5.767) 6.740 2.758 ( -1.505 4.362 0.991) 4.719 2.776 ( 0.802 4.897 -0.535) 4.991 2.962 ( 0.135 1.004 5.198) 5.296 3.060 ( -1.752 -1.757 -2.520) 3.537 3.116 ( 2.671 2.493 3.213) 4.865 3.237 ( -2.114 1.237 -7.635) 8.018 4.912 ( 1.631 -0.287 0.757) 1.821 4.927 ( -1.682 -0.204 -0.964) 1.950 5.714 ( -3.175 0.507 5.529) 6.396 5.807 ( 4.005 0.383 -4.298) 5.887 5.900 ( -4.585 -0.436 4.253) 6.269 5.993 ( 3.560 -0.473 -4.801) 5.995 6.023 ( 2.593 -0.759 1.299) 2.998 6.051 ( -2.277 -1.893 -2.054) 3.604 7.640 ( -2.040 -0.345 1.065) 2.327 7.659 ( 1.698 -0.166 -1.100) 2.030 8.573 ( -0.678 -0.287 3.046) 3.134 8.624 ( 1.039 -0.180 -2.211) 2.450 13.954 ( -6.760 2.929 6.228) 9.646 14.065 ( 6.334 3.825 -5.381) 9.149 14.252 ( -6.021 -6.506 5.573) 10.471 14.356 ( 6.042 -8.733 -5.222) 11.834 18.149 ( -2.563 -0.328 10.081) 10.407 18.338 ( 0.980 -0.405 -9.799) 9.856 18.907 ( -4.492 -0.593 23.815) 24.243 19.348 ( 3.314 -0.576 -22.279) 22.531 20.500 ( -1.959 1.393 3.336) 4.112 20.550 ( 3.512 1.000 -2.055) 4.190 22.255 ( -4.994 0.592 12.381) 13.364 22.505 ( 4.369 0.712 -13.657) 14.356 45.725 ( 0.206 -0.097 1.314) 1.334 45.754 ( -0.724 0.204 -1.793) 1.945 46.484 ( 0.982 0.960 2.909) 3.217 46.538 ( -0.657 0.874 -2.737) 2.947 98.848 ( 1.128 0.069 2.379) 2.634 98.886 ( -2.054 0.341 -1.547) 2.594 99.322 ( 0.668 0.083 0.876) 1.105 99.336 ( -0.888 -0.005 -0.652) 1.101 99.748 ( 1.187 0.720 3.360) 3.636 99.833 ( -0.817 -0.977 -5.499) 5.645 100.530 ( -3.718 0.514 8.940) 9.696 100.707 ( 5.713 1.570 -9.509) 11.204 ======================= Grid point 287 (148/160) ======================= q-point: (-0.33 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -13.959 2.960 1.909) 14.397 1.686 ( -4.380 3.808 0.594) 5.834 1.698 ( 3.750 1.977 5.647) 7.061 1.786 ( -0.829 2.223 -0.172) 2.379 1.876 ( -0.464 1.283 1.893) 2.334 1.944 ( 1.682 -0.513 -4.051) 4.416 2.038 ( -1.387 0.202 2.491) 2.858 2.085 ( 0.834 -3.074 -2.938) 4.333 2.259 ( -0.852 -1.590 5.128) 5.436 2.346 ( 1.443 -2.154 -3.954) 4.728 2.473 ( -5.084 -2.440 2.155) 6.037 2.605 ( 2.079 -3.090 -4.395) 5.761 2.644 ( -1.984 5.803 -0.562) 6.159 2.691 ( 0.585 6.632 -0.176) 6.660 2.914 ( -4.986 3.232 3.901) 7.108 3.067 ( 4.837 1.987 -2.769) 5.917 3.121 ( -0.552 1.291 5.609) 5.782 3.170 ( -0.602 0.652 -5.966) 6.032 4.914 ( -1.118 -0.627 -0.565) 1.401 4.939 ( 1.590 -0.227 0.779) 1.785 5.697 ( -2.953 0.473 4.743) 5.607 5.806 ( 1.941 0.872 -4.664) 5.126 5.877 ( -5.069 -0.640 4.356) 6.715 6.026 ( 3.501 -0.413 -5.513) 6.544 6.036 ( -1.022 -2.564 -0.606) 2.826 6.121 ( 6.284 -2.177 1.213) 6.760 7.629 ( -1.985 -0.413 0.935) 2.233 7.682 ( 2.027 -0.573 -0.465) 2.157 8.585 ( -0.555 -0.414 2.374) 2.473 8.626 ( 0.892 -0.027 -2.388) 2.549 13.867 ( -5.895 2.891 4.123) 7.753 14.072 ( 8.834 3.343 -4.351) 10.399 14.311 ( -9.494 -9.260 4.184) 13.906 14.615 ( 14.809 -11.503 -2.920) 18.977 18.172 ( -3.113 -0.189 10.725) 11.169 18.326 ( 2.320 -1.361 -8.813) 9.215 18.983 ( -4.007 -0.281 24.431) 24.759 19.316 ( 6.174 -1.938 -22.162) 23.087 20.463 ( -2.314 1.938 1.999) 3.620 20.545 ( 2.992 2.438 -3.438) 5.169 22.248 ( -4.832 0.905 12.925) 13.829 22.477 ( 4.467 0.829 -12.997) 13.768 45.724 ( -1.478 0.126 0.375) 1.530 45.745 ( 0.366 -0.000 -0.114) 0.383 46.480 ( -2.739 2.236 -2.973) 4.619 46.486 ( 0.359 1.141 2.717) 2.968 98.847 ( -1.686 0.474 0.143) 1.757 98.876 ( 1.352 0.219 1.085) 1.748 99.321 ( -0.884 0.140 -0.324) 0.952 99.335 ( 0.747 -0.086 0.729) 1.047 99.767 ( -0.298 0.124 4.124) 4.137 99.803 ( -1.242 -0.439 -5.407) 5.565 100.507 ( -4.289 1.553 7.003) 8.358 100.696 ( 5.807 1.954 -9.428) 11.244 ======================= Grid point 288 (149/160) ======================= q-point: (-0.22 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -12.458 3.490 2.380) 13.155 1.596 ( -2.067 3.732 1.054) 4.394 1.652 ( -2.071 5.894 3.920) 7.376 1.788 ( 1.871 1.576 3.644) 4.389 1.836 ( -2.598 1.378 0.729) 3.029 1.937 ( -0.197 0.904 -2.534) 2.697 2.028 ( -2.080 -0.772 1.873) 2.903 2.142 ( 1.479 -3.465 -3.566) 5.188 2.270 ( -2.958 -0.442 -0.525) 3.036 2.361 ( -1.611 -1.483 1.330) 2.562 2.474 ( -5.046 5.877 -3.203) 8.382 2.496 ( -2.507 -2.034 4.077) 5.200 2.609 ( -0.009 2.146 0.432) 2.189 2.683 ( 1.679 -2.496 -2.608) 3.981 2.836 ( -1.595 2.570 0.579) 3.080 3.051 ( 2.278 2.511 -2.735) 4.356 3.127 ( -0.299 0.299 3.666) 3.691 3.140 ( 2.538 2.747 -2.090) 4.284 4.916 ( -0.622 -0.802 -0.185) 1.031 4.959 ( 1.098 -0.025 0.613) 1.258 5.680 ( -2.468 0.363 3.565) 4.351 5.785 ( -0.110 0.722 -2.841) 2.934 5.865 ( -3.036 -1.389 3.020) 4.502 6.018 ( 0.115 -0.199 -4.344) 4.350 6.083 ( 2.517 -1.450 -1.766) 3.399 6.234 ( 5.828 -2.676 1.468) 6.579 7.620 ( -1.648 -0.409 0.559) 1.788 7.713 ( 1.929 -0.687 0.254) 2.064 8.594 ( -0.337 -0.321 1.312) 1.392 8.622 ( 0.603 0.283 -1.830) 1.947 13.776 ( -5.233 2.312 1.591) 5.938 14.061 ( 2.033 3.621 -3.048) 5.151 14.420 ( -1.992 -10.006 2.673) 10.547 14.967 ( 15.842 -11.477 -0.139) 19.563 18.181 ( -3.950 0.308 10.070) 10.822 18.352 ( 3.580 -2.394 -7.160) 8.355 19.040 ( -5.923 0.702 23.452) 24.199 19.337 ( 8.268 -3.289 -20.703) 22.534 20.411 ( -2.550 2.027 0.809) 3.356 20.508 ( 2.278 3.236 -4.404) 5.921 22.243 ( -4.542 0.946 12.866) 13.677 22.460 ( 4.760 0.085 -12.187) 13.084 45.706 ( -1.888 -0.362 0.101) 1.925 45.744 ( -0.246 0.567 0.400) 0.736 46.391 ( -3.146 2.907 -2.908) 5.178 46.489 ( 1.210 0.938 2.556) 2.979 98.826 ( -1.481 -0.044 0.136) 1.488 98.885 ( 0.942 0.942 0.941) 1.631 99.308 ( -0.794 0.238 -0.347) 0.898 99.351 ( 0.973 -0.319 1.004) 1.434 99.725 ( -3.290 1.190 -4.391) 5.614 99.831 ( 1.567 -1.704 4.961) 5.475 100.460 ( -3.680 2.229 4.656) 6.339 100.682 ( 4.638 1.503 -9.170) 10.386 ======================= Grid point 289 (150/160) ======================= q-point: (-0.11 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -5.783 -0.447 3.687) 6.872 1.533 ( 1.191 3.685 -0.018) 3.873 1.544 ( -2.540 5.768 2.354) 6.728 1.753 ( -0.866 3.366 3.211) 4.732 1.826 ( -1.043 -0.236 2.576) 2.789 1.882 ( -1.722 2.932 -0.749) 3.482 2.050 ( -0.358 -2.099 1.770) 2.769 2.174 ( -0.330 -1.047 -1.210) 1.634 2.231 ( -1.137 1.320 -2.072) 2.707 2.290 ( -4.268 5.196 -5.898) 8.944 2.398 ( -0.662 -1.375 5.813) 6.010 2.532 ( -1.804 -1.816 5.133) 5.736 2.637 ( 1.974 -3.661 -2.960) 5.105 2.676 ( -1.657 1.893 -0.083) 2.518 2.808 ( -0.736 -0.203 -3.095) 3.187 3.021 ( -0.379 0.611 -4.018) 4.082 3.116 ( 7.910 5.780 -1.682) 9.940 3.144 ( -2.488 -2.397 4.596) 5.750 4.920 ( -0.534 -0.403 0.029) 0.670 4.970 ( 0.479 -0.116 0.327) 0.591 5.666 ( -1.637 0.266 2.310) 2.844 5.761 ( -1.479 0.465 0.250) 1.570 5.881 ( -0.646 -1.697 0.495) 1.882 6.003 ( -0.111 -0.237 -3.334) 3.344 6.110 ( 1.257 -0.441 -1.825) 2.260 6.329 ( 3.543 -1.895 1.009) 4.142 7.613 ( -1.008 -0.409 -0.093) 1.092 7.742 ( 1.193 -0.275 0.931) 1.538 8.600 ( -0.145 0.365 1.159) 1.224 8.614 ( 0.342 0.054 -1.545) 1.583 13.708 ( -4.081 0.377 0.598) 4.141 13.995 ( -1.619 2.693 -1.779) 3.611 14.572 ( 0.270 -7.644 1.409) 7.778 15.266 ( 10.945 -6.530 0.874) 12.775 18.174 ( -4.252 0.672 9.581) 10.503 18.402 ( 3.696 -2.750 -6.783) 8.200 19.045 ( -9.129 1.588 21.628) 23.529 19.402 ( 9.002 -4.538 -18.773) 21.309 20.357 ( -2.386 1.468 0.221) 2.810 20.461 ( 2.077 2.753 -4.136) 5.386 22.240 ( -4.321 0.800 12.199) 12.966 22.465 ( 4.912 -1.128 -11.623) 12.668 45.701 ( -1.453 -1.268 0.082) 1.930 45.725 ( -0.950 1.136 0.101) 1.484 46.308 ( -1.665 2.521 -2.041) 3.646 46.503 ( 2.216 1.059 2.053) 3.201 98.819 ( -1.076 -0.573 0.330) 1.263 98.878 ( 0.195 0.843 0.446) 0.973 99.294 ( -0.553 0.350 -0.140) 0.669 99.372 ( 0.875 -0.353 0.871) 1.284 99.649 ( -2.773 1.655 -3.119) 4.490 99.911 ( 2.653 -2.061 5.411) 6.369 100.408 ( -2.190 2.316 2.777) 4.228 100.663 ( 2.696 0.494 -8.743) 9.162 ======================= Grid point 295 (151/160) ======================= q-point: (-0.44 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -14.061 0.000 3.225) 14.426 1.672 ( -4.867 0.000 8.549) 9.838 1.759 ( -0.305 0.000 -4.026) 4.038 1.869 ( -0.180 0.000 8.816) 8.817 1.906 ( 3.750 -0.000 -3.898) 5.409 1.911 ( -1.840 0.000 -2.850) 3.392 2.021 ( -2.537 0.000 -1.238) 2.823 2.073 ( 1.721 -0.000 -1.130) 2.058 2.232 ( 0.567 -0.000 4.789) 4.822 2.307 ( 2.072 -0.000 -7.275) 7.564 2.437 ( -3.940 0.000 3.203) 5.078 2.524 ( 0.830 -0.000 -5.222) 5.288 2.798 ( -0.825 0.000 2.138) 2.292 2.827 ( 1.527 -0.000 0.928) 1.787 2.972 ( -5.144 0.000 -3.357) 6.142 3.027 ( 2.578 -0.000 5.459) 6.037 3.172 ( -4.401 0.000 -8.834) 9.869 3.179 ( 1.175 -0.000 5.071) 5.205 4.903 ( -1.500 0.000 -1.046) 1.829 4.936 ( 2.334 -0.000 0.938) 2.516 5.704 ( -3.565 0.000 4.618) 5.834 5.822 ( 1.517 -0.000 -4.541) 4.787 5.875 ( -3.500 0.000 4.913) 6.032 5.982 ( -1.049 0.000 -0.118) 1.055 6.019 ( 4.040 -0.000 -5.444) 6.780 6.086 ( 6.392 -0.000 0.518) 6.413 7.624 ( -1.644 0.000 1.200) 2.035 7.671 ( 1.690 -0.000 -0.900) 1.915 8.576 ( -0.713 0.000 2.711) 2.803 8.623 ( 1.069 -0.000 -2.651) 2.858 13.957 ( -4.310 0.000 7.303) 8.480 14.099 ( -1.211 0.000 1.729) 2.111 14.217 ( 5.938 -0.000 -3.739) 7.017 14.346 ( 10.274 -0.000 -4.300) 11.138 18.170 ( -2.109 0.000 10.928) 11.129 18.303 ( 1.302 -0.000 -9.014) 9.107 18.983 ( -1.532 0.000 24.792) 24.839 19.285 ( 5.371 -0.000 -22.451) 23.084 20.495 ( -2.909 0.000 1.921) 3.486 20.589 ( 3.717 -0.000 -2.853) 4.686 22.266 ( -4.871 0.000 13.233) 14.101 22.494 ( 4.173 -0.000 -13.145) 13.791 45.733 ( 0.115 -0.000 1.980) 1.984 45.739 ( -0.823 0.000 -1.575) 1.777 46.500 ( -1.499 0.000 2.660) 3.053 46.517 ( -2.494 0.000 -2.944) 3.858 98.859 ( -1.825 0.000 -1.429) 2.318 98.877 ( 1.737 -0.000 3.075) 3.531 99.324 ( -0.878 0.000 -0.559) 1.041 99.334 ( 0.631 -0.000 0.906) 1.104 99.774 ( 0.050 -0.000 2.757) 2.757 99.789 ( -1.868 0.000 -4.366) 4.749 100.535 ( -3.904 0.000 8.699) 9.535 100.730 ( 5.297 -0.000 -11.463) 12.628 ======================= Grid point 296 (152/160) ======================= q-point: (-0.33 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -15.742 1.021 4.535) 16.414 1.615 ( -11.654 -0.971 4.624) 12.576 1.757 ( -0.484 -1.296 1.267) 1.876 1.828 ( -3.668 4.382 2.428) 6.209 1.892 ( -0.541 0.312 0.021) 0.625 1.928 ( 1.584 -0.655 -3.540) 3.933 2.023 ( -0.822 -2.408 0.791) 2.665 2.066 ( 0.493 1.486 -1.532) 2.191 2.258 ( 0.403 -0.101 1.344) 1.407 2.305 ( 1.305 -1.325 -6.201) 6.474 2.404 ( -4.756 -0.996 2.707) 5.562 2.542 ( 0.607 -3.543 -3.445) 4.979 2.736 ( -1.641 7.277 1.635) 7.637 2.789 ( -0.677 5.839 -0.288) 5.885 2.908 ( -3.570 0.282 0.596) 3.630 3.065 ( -4.620 -0.418 -2.476) 5.258 3.122 ( 2.259 -1.816 0.146) 2.902 3.195 ( 0.061 0.504 3.537) 3.573 4.890 ( -0.847 -0.582 -0.721) 1.255 4.966 ( 2.532 0.274 0.864) 2.689 5.687 ( -3.018 0.070 3.550) 4.660 5.802 ( -0.894 0.294 -3.491) 3.616 5.859 ( -2.488 0.767 4.933) 5.578 5.997 ( 1.496 -1.299 -1.964) 2.790 6.049 ( 5.104 -0.333 -3.990) 6.487 6.167 ( 6.479 -1.250 0.701) 6.635 7.614 ( -1.305 -0.009 1.218) 1.785 7.690 ( 1.675 -0.566 -0.502) 1.839 8.582 ( -0.684 -0.283 1.985) 2.119 8.622 ( 0.912 -0.146 -2.740) 2.892 13.909 ( -2.428 4.638 5.310) 7.456 14.154 ( -3.196 -4.033 4.584) 6.892 14.213 ( 10.720 4.106 -5.866) 12.891 14.569 ( 14.018 -11.568 -3.209) 18.456 18.196 ( -2.327 0.486 11.159) 11.409 18.291 ( 2.256 -1.233 -7.625) 8.047 19.086 ( 0.220 1.485 24.750) 24.795 19.263 ( 7.752 -1.374 -21.513) 22.908 20.461 ( -3.247 0.921 1.024) 3.527 20.595 ( 3.125 1.743 -4.433) 5.697 22.273 ( -4.588 0.604 13.627) 14.392 22.475 ( 4.203 0.506 -12.297) 13.005 45.716 ( -1.191 0.747 -0.334) 1.445 45.750 ( 0.372 -0.299 1.550) 1.622 46.456 ( -4.242 1.152 -3.006) 5.325 46.489 ( -2.805 -0.471 2.281) 3.646 98.834 ( -1.323 0.319 -0.798) 1.577 98.910 ( 2.047 0.416 2.965) 3.627 99.313 ( -0.671 0.082 -0.362) 0.767 99.344 ( 0.468 -0.099 0.972) 1.084 99.745 ( -2.490 0.227 -3.898) 4.631 99.786 ( -0.995 -0.807 2.886) 3.157 100.523 ( -3.608 1.351 7.740) 8.646 100.718 ( 3.767 0.551 -12.532) 13.097 ======================= Grid point 297 (153/160) ======================= q-point: (-0.22 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -15.075 1.544 4.855) 15.912 1.533 ( -11.210 -2.893 1.634) 11.692 1.716 ( -4.264 4.916 2.311) 6.906 1.804 ( -2.147 -3.242 5.408) 6.661 1.858 ( -1.445 2.195 0.455) 2.667 1.926 ( -0.679 -0.251 -3.410) 3.486 2.020 ( -1.502 1.941 -0.747) 2.565 2.078 ( 1.084 -3.581 -1.864) 4.180 2.229 ( -4.707 0.505 -1.898) 5.101 2.322 ( 1.268 -2.046 0.727) 2.514 2.440 ( 0.684 -4.225 0.476) 4.306 2.543 ( -3.002 7.396 -1.976) 8.223 2.611 ( -1.002 -0.637 -2.956) 3.186 2.676 ( -2.878 4.602 3.266) 6.335 2.869 ( -1.575 2.322 1.804) 3.336 3.014 ( -4.163 -1.316 -3.604) 5.661 3.133 ( -3.454 1.093 4.510) 5.785 3.241 ( 6.757 0.147 -0.828) 6.809 4.896 ( -0.156 -0.967 -0.320) 1.030 4.984 ( 1.973 0.903 0.622) 2.257 5.671 ( -2.243 0.098 2.375) 3.268 5.772 ( -1.333 0.310 -1.197) 1.818 5.853 ( -0.574 0.194 3.047) 3.107 6.011 ( 1.785 0.290 -3.192) 3.669 6.096 ( 4.333 -0.592 -2.632) 5.104 6.262 ( 5.244 -1.983 0.965) 5.689 7.607 ( -0.935 0.023 0.996) 1.366 7.719 ( 1.494 -0.994 -0.010) 1.795 8.587 ( -0.490 -0.426 0.401) 0.763 8.623 ( 0.529 -0.106 -1.628) 1.715 13.819 ( -1.178 5.948 2.385) 6.516 14.105 ( -1.441 3.509 -3.249) 4.995 14.355 ( 9.471 -4.755 2.727) 10.943 14.924 ( 14.206 -13.626 -0.923) 19.706 18.203 ( -2.580 1.114 9.086) 9.511 18.321 ( 2.859 -2.285 -4.645) 5.914 19.139 ( -0.966 4.024 18.512) 18.969 19.301 ( 9.349 -2.100 -14.771) 17.607 20.409 ( -3.361 1.519 0.479) 3.720 20.560 ( 2.089 3.042 -5.824) 6.894 22.276 ( -4.023 1.048 13.364) 13.995 22.458 ( 4.404 0.464 -11.467) 12.292 45.690 ( -1.478 0.559 0.234) 1.597 45.758 ( 0.229 0.681 1.208) 1.405 46.372 ( -4.594 1.464 -2.809) 5.580 46.488 ( -2.110 -1.670 1.775) 3.223 98.815 ( -0.915 0.303 -0.084) 0.968 98.925 ( 1.415 1.618 1.903) 2.871 99.303 ( -0.471 0.235 -0.274) 0.593 99.359 ( 0.598 -0.434 1.165) 1.380 99.690 ( -2.538 0.882 -4.066) 4.873 99.822 ( -0.424 -2.889 4.323) 5.217 100.486 ( -2.910 2.539 5.463) 6.691 100.682 ( 1.241 0.266 -11.408) 11.478 ======================= Grid point 298 (154/160) ======================= q-point: (-0.11 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -8.081 -2.847 5.436) 10.147 1.485 ( -9.936 -4.077 1.288) 10.817 1.612 ( -1.986 4.452 0.506) 4.901 1.788 ( -2.570 2.151 0.814) 3.449 1.838 ( -0.734 1.371 2.108) 2.619 1.911 ( -0.118 1.079 0.200) 1.104 1.988 ( -2.765 -3.120 -1.109) 4.314 2.125 ( -1.744 -2.856 -0.504) 3.384 2.186 ( -3.265 -2.241 -1.260) 4.156 2.355 ( -3.044 7.460 -3.637) 8.840 2.400 ( 4.606 -1.702 2.372) 5.453 2.514 ( -1.629 -2.919 5.373) 6.328 2.570 ( -1.556 0.468 -2.624) 3.086 2.666 ( -0.952 -1.253 1.183) 1.968 2.820 ( -0.907 2.493 0.651) 2.731 2.976 ( -3.903 -0.762 -1.960) 4.434 3.094 ( -5.316 -0.434 3.337) 6.292 3.286 ( 8.458 3.446 -3.180) 9.671 4.909 ( 0.171 -0.665 -0.110) 0.695 4.985 ( 0.897 1.078 0.396) 1.457 5.661 ( -0.899 -0.087 1.271) 1.559 5.753 ( -1.432 0.395 1.249) 1.941 5.869 ( 1.098 -0.695 0.792) 1.522 6.002 ( 1.520 1.086 -2.809) 3.374 6.123 ( 2.589 0.517 -2.266) 3.480 6.339 ( 2.700 -1.543 0.883) 3.233 7.603 ( -0.387 -0.033 0.514) 0.644 7.747 ( 0.781 -0.748 0.421) 1.160 8.593 ( -0.007 -0.844 -0.684) 1.086 8.619 ( -0.055 0.444 -0.375) 0.584 13.733 ( 0.271 4.794 0.853) 4.877 14.018 ( -0.674 3.520 -3.160) 4.778 14.532 ( 6.873 -3.692 3.329) 8.483 15.244 ( 8.985 -9.823 0.062) 13.313 18.195 ( -2.770 1.290 8.808) 9.323 18.369 ( 2.851 -2.351 -4.587) 5.890 19.117 ( -4.725 5.320 18.097) 19.445 19.371 ( 9.662 -1.978 -14.139) 17.239 20.351 ( -3.123 1.437 0.472) 3.470 20.503 ( 1.658 2.719 -5.985) 6.780 22.275 ( -3.642 1.507 12.543) 13.148 22.451 ( 4.542 -0.212 -11.163) 12.054 45.676 ( -0.949 -0.358 0.539) 1.148 45.743 ( -0.073 1.651 0.569) 1.747 46.298 ( -3.371 0.766 -1.947) 3.968 46.510 ( -0.827 -1.988 0.752) 2.281 98.806 ( -0.485 -0.104 0.493) 0.700 98.908 ( 0.307 2.171 0.854) 2.354 99.293 ( -0.363 0.219 -0.287) 0.512 99.378 ( 0.517 -0.364 0.955) 1.145 99.633 ( -1.849 1.142 -2.948) 3.662 99.908 ( 1.917 -4.019 4.118) 6.065 100.437 ( -2.061 2.407 2.696) 4.161 100.635 ( -1.270 -0.246 -8.206) 8.307 ======================= Grid point 305 (155/160) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -16.152 0.000 7.986) 18.018 1.468 ( -15.539 0.000 -0.415) 15.545 1.706 ( -6.303 0.000 5.235) 8.193 1.833 ( -3.536 0.000 -3.169) 4.749 1.863 ( -5.769 0.000 6.149) 8.432 1.926 ( 0.518 -0.000 -4.193) 4.225 2.002 ( 0.011 -0.000 1.469) 1.469 2.069 ( -0.737 0.000 -2.134) 2.258 2.287 ( 4.433 -0.000 -10.884) 11.752 2.287 ( 2.443 -0.000 2.949) 3.830 2.349 ( -6.797 0.000 3.872) 7.822 2.505 ( 1.181 -0.000 -1.799) 2.152 2.789 ( -5.935 0.000 3.040) 6.668 2.858 ( 0.279 -0.000 0.779) 0.828 2.871 ( 2.328 -0.000 -3.841) 4.492 2.953 ( -8.015 0.000 -8.430) 11.632 3.153 ( 2.756 -0.000 7.445) 7.938 3.185 ( -4.882 0.000 4.522) 6.655 4.876 ( -0.211 0.000 -0.434) 0.483 5.005 ( 3.498 -0.000 0.376) 3.518 5.674 ( -2.071 0.000 2.618) 3.338 5.778 ( -1.007 0.000 -2.635) 2.821 5.874 ( -1.589 0.000 6.293) 6.490 6.006 ( 3.741 -0.000 -2.699) 4.613 6.085 ( 5.312 -0.000 -3.625) 6.431 6.224 ( 5.682 -0.000 0.015) 5.682 7.610 ( -0.757 0.000 1.432) 1.620 7.697 ( 1.219 -0.000 -0.445) 1.297 8.581 ( -0.764 0.000 1.744) 1.904 8.616 ( 0.767 -0.000 -3.194) 3.285 13.960 ( -1.267 0.000 4.514) 4.689 14.147 ( 1.343 -0.000 5.489) 5.650 14.358 ( 12.392 -0.000 -6.596) 14.038 14.582 ( 14.744 -0.000 -2.689) 14.988 18.235 ( -2.266 0.000 12.762) 12.962 18.269 ( 2.792 -0.000 -7.610) 8.106 19.240 ( 9.374 -0.000 -21.629) 23.573 19.251 ( 5.060 -0.000 25.474) 25.972 20.436 ( -3.561 0.000 0.916) 3.677 20.618 ( 2.732 -0.000 -6.442) 6.997 22.292 ( -4.427 0.000 13.766) 14.460 22.471 ( 4.296 -0.000 -11.171) 11.969 45.712 ( -0.488 0.000 -1.015) 1.126 45.762 ( 0.595 -0.000 3.018) 3.076 46.399 ( -5.549 0.000 -3.068) 6.341 46.445 ( -5.573 0.000 1.980) 5.914 98.824 ( -0.571 0.000 -0.631) 0.851 98.955 ( 2.736 -0.000 3.245) 4.244 99.308 ( -0.134 0.000 0.205) 0.244 99.349 ( -0.073 0.000 0.900) 0.903 99.705 ( -2.393 0.000 -3.013) 3.848 99.767 ( -2.813 0.000 1.993) 3.447 100.539 ( -2.906 0.000 8.567) 9.047 100.679 ( 0.542 -0.000 -15.167) 15.177 ======================= Grid point 306 (156/160) ======================= q-point: (-0.22 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -15.348 1.916 8.983) 17.886 1.318 ( -16.974 -4.539 -0.668) 17.583 1.707 ( -5.474 -3.218 5.010) 8.089 1.744 ( -5.588 1.654 3.482) 6.788 1.837 ( -6.715 -1.471 3.286) 7.620 1.894 ( -0.487 0.810 -5.726) 5.804 2.023 ( -1.467 -0.522 -0.493) 1.633 2.035 ( -1.225 -0.499 -1.511) 2.008 2.210 ( -3.503 4.467 -1.579) 5.893 2.344 ( 4.866 -0.405 0.925) 4.969 2.370 ( 0.656 -4.812 -2.132) 5.304 2.543 ( 1.517 -2.968 -0.934) 3.461 2.652 ( -5.568 7.860 -1.480) 9.745 2.751 ( -3.299 6.793 -1.548) 7.709 2.874 ( -1.557 -1.113 -2.251) 2.955 2.921 ( -2.984 -1.840 0.655) 3.566 3.123 ( -6.205 1.425 4.033) 7.536 3.262 ( 3.341 -4.196 3.383) 6.341 4.883 ( 0.514 -0.668 -0.003) 0.843 5.034 ( 3.591 1.336 -0.373) 3.849 5.665 ( -1.124 0.291 1.755) 2.105 5.761 ( -0.158 0.040 -1.763) 1.770 5.880 ( -0.450 1.132 5.812) 5.939 6.033 ( 3.702 0.449 -2.837) 4.685 6.127 ( 4.776 -0.140 -2.917) 5.599 6.288 ( 4.151 -1.361 -0.119) 4.370 7.608 ( -0.363 0.259 1.369) 1.440 7.714 ( 0.816 -0.946 -0.245) 1.273 8.579 ( -0.652 0.006 0.415) 0.773 8.613 ( 0.394 -0.515 -2.236) 2.328 13.925 ( 0.053 4.897 2.404) 5.456 14.145 ( 0.859 3.777 -1.420) 4.125 14.464 ( 14.109 0.511 1.195) 14.169 14.852 ( 13.810 -11.961 -1.162) 18.307 18.242 ( -0.822 1.622 5.848) 6.124 18.299 ( 1.552 -2.007 0.176) 2.543 19.246 ( 9.711 1.000 -15.854) 18.619 19.403 ( 7.231 3.674 19.424) 21.050 20.395 ( -3.560 0.937 1.131) 3.851 20.589 ( 1.547 2.089 -8.347) 8.742 22.306 ( -3.929 0.375 13.134) 13.714 22.465 ( 4.573 0.564 -10.045) 11.051 45.695 ( -0.341 1.108 -0.265) 1.190 45.782 ( 0.929 0.553 2.340) 2.578 46.317 ( -5.942 0.507 -2.714) 6.552 46.413 ( -5.601 -3.024 1.248) 6.486 98.816 ( 0.009 0.398 -0.092) 0.409 98.983 ( 2.327 1.879 1.894) 3.540 99.306 ( -0.007 0.680 0.360) 0.770 99.359 ( 0.093 -0.824 1.148) 1.417 99.663 ( -1.990 0.752 -2.721) 3.454 99.771 ( -2.247 -3.492 2.470) 4.832 100.522 ( -2.825 2.604 4.083) 5.607 100.610 ( -3.039 -1.410 -10.734) 11.244 ======================= Grid point 307 (157/160) ======================= q-point: (-0.11 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -8.759 -2.626 8.672) 12.602 1.253 ( -14.965 -7.878 2.120) 17.044 1.630 ( -4.842 2.478 -1.157) 5.561 1.764 ( -3.520 -1.849 0.363) 3.993 1.833 ( -3.074 -2.755 3.163) 5.200 1.861 ( -2.241 -3.021 0.157) 3.764 1.954 ( -3.131 2.503 -0.970) 4.125 2.051 ( -3.352 -1.334 0.576) 3.654 2.130 ( -1.697 -0.436 -0.400) 1.797 2.386 ( 0.725 2.164 -1.707) 2.850 2.443 ( 0.664 -4.118 -2.049) 4.647 2.485 ( 0.690 4.522 -1.491) 4.811 2.599 ( -0.193 0.409 2.652) 2.690 2.636 ( -2.450 0.267 0.598) 2.536 2.840 ( -2.707 1.433 -1.618) 3.464 2.919 ( -2.584 -0.701 3.687) 4.557 3.046 ( -6.897 1.124 2.428) 7.398 3.361 ( 4.994 -1.612 -2.251) 5.711 4.903 ( 0.888 -0.713 0.207) 1.157 5.031 ( 2.260 2.593 -0.661) 3.502 5.661 ( 0.004 0.040 0.929) 0.930 5.754 ( 0.069 0.262 -0.405) 0.487 5.889 ( 0.764 0.650 4.265) 4.381 6.040 ( 3.261 1.741 -2.747) 4.606 6.155 ( 3.348 0.754 -2.394) 4.185 6.343 ( 1.733 -1.318 0.099) 2.179 7.608 ( 0.094 0.287 1.053) 1.096 7.738 ( 0.206 -1.181 -0.109) 1.204 8.576 ( -0.134 -0.549 -0.855) 1.025 8.616 ( -0.201 -0.339 -0.779) 0.873 13.850 ( 2.074 6.332 1.214) 6.772 14.068 ( 1.284 4.562 -4.377) 6.451 14.622 ( 11.447 0.027 4.958) 12.475 15.162 ( 8.226 -10.876 -0.486) 13.645 18.234 ( -1.285 1.625 6.788) 7.097 18.347 ( 1.777 -1.864 -1.058) 2.784 19.254 ( 6.247 4.354 -2.867) 8.136 19.450 ( 5.796 5.866 6.807) 10.693 20.344 ( -3.365 1.460 1.550) 3.982 20.523 ( 0.806 2.190 -8.711) 9.018 22.315 ( -3.310 0.987 11.694) 12.193 22.457 ( 4.537 0.858 -9.491) 10.555 45.677 ( 0.107 0.755 0.656) 1.006 45.779 ( 0.641 1.843 1.170) 2.275 46.246 ( -4.845 -0.489 -1.984) 5.258 46.431 ( -3.805 -4.751 -0.442) 6.103 98.812 ( 0.411 0.470 0.592) 0.860 98.960 ( 0.478 3.292 0.843) 3.432 99.292 ( -0.470 0.451 -0.284) 0.711 99.379 ( 0.251 -0.503 0.889) 1.052 99.620 ( -1.063 0.847 -2.396) 2.754 99.862 ( 1.861 -6.199 2.300) 6.868 100.442 ( -4.299 1.342 -4.810) 6.589 100.569 ( -4.001 -0.582 0.708) 4.104 ======================= Grid point 315 (158/160) ======================= q-point: (-0.22 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -12.939 0.000 13.929) 19.012 1.062 ( -19.790 0.000 -0.388) 19.794 1.645 ( -3.904 0.000 0.430) 3.928 1.708 ( -8.290 0.000 10.679) 13.519 1.742 ( -8.919 0.000 2.600) 9.290 1.885 ( 0.405 -0.000 -6.021) 6.035 1.977 ( -2.994 0.000 -0.316) 3.011 2.011 ( -2.244 0.000 -2.471) 3.338 2.253 ( -5.117 0.000 4.653) 6.916 2.283 ( 3.463 -0.000 -8.765) 9.424 2.414 ( 6.013 -0.000 2.427) 6.484 2.518 ( -0.469 0.000 -2.095) 2.147 2.675 ( -9.848 0.000 -8.872) 13.255 2.684 ( -2.487 0.000 0.512) 2.539 2.845 ( -2.069 0.000 0.516) 2.132 2.932 ( 4.271 -0.000 -2.031) 4.729 3.076 ( -7.697 0.000 3.503) 8.456 3.260 ( -0.233 0.000 8.114) 8.117 4.888 ( 1.248 -0.000 0.606) 1.387 5.087 ( 4.707 -0.000 -2.309) 5.243 5.669 ( -0.197 0.000 1.307) 1.322 5.754 ( 0.581 -0.000 -1.919) 2.005 5.919 ( -0.047 0.000 6.994) 6.995 6.070 ( 4.440 -0.000 -2.964) 5.339 6.164 ( 4.603 -0.000 -2.339) 5.163 6.310 ( 2.538 -0.000 -0.680) 2.628 7.616 ( -0.028 0.000 1.525) 1.525 7.709 ( 0.162 -0.000 -0.343) 0.380 8.575 ( -0.967 0.000 0.996) 1.389 8.599 ( 0.420 -0.000 -3.094) 3.122 13.967 ( -0.313 0.000 0.448) 0.547 14.191 ( 0.691 -0.000 -1.836) 1.962 14.643 ( 15.480 -0.000 2.114) 15.623 14.896 ( 14.597 -0.000 0.856) 14.622 18.283 ( 4.758 -0.000 -6.947) 8.420 18.295 ( -4.005 0.000 13.827) 14.396 19.288 ( 12.606 -0.000 -18.647) 22.508 19.644 ( 10.996 -0.000 18.946) 21.906 20.373 ( -3.384 0.000 2.022) 3.942 20.574 ( 0.374 -0.000 -10.980) 10.986 22.326 ( -4.000 0.000 12.674) 13.291 22.479 ( 5.160 -0.000 -8.903) 10.290 45.706 ( 0.862 -0.000 -0.948) 1.281 45.814 ( 1.599 -0.000 2.423) 2.903 46.244 ( -6.019 0.000 -2.689) 6.592 46.312 ( -7.918 0.000 1.418) 8.044 98.824 ( 0.848 -0.000 0.088) 0.853 99.036 ( 2.987 -0.000 -0.422) 3.016 99.332 ( 1.417 -0.000 1.182) 1.845 99.342 ( -1.392 0.000 0.757) 1.584 99.651 ( -0.662 0.000 -0.274) 0.717 99.705 ( -3.605 0.000 0.711) 3.675 100.464 ( -7.193 0.000 -13.672) 15.449 100.562 ( -3.070 0.000 9.129) 9.632 ======================= Grid point 316 (159/160) ======================= q-point: (-0.11 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -10.532 -1.457 8.874) 13.849 0.997 ( -12.367 -6.428 10.919) 17.706 1.581 ( -5.537 0.497 -4.715) 7.289 1.664 ( -7.629 -2.157 -1.623) 8.093 1.750 ( -5.618 -5.256 17.130) 18.778 1.832 ( -0.822 2.103 -4.275) 4.834 1.949 ( -2.831 0.593 -2.439) 3.783 1.994 ( -1.536 -2.503 -0.978) 3.095 2.151 ( -1.062 4.817 -0.586) 4.968 2.357 ( 1.447 -4.979 -3.395) 6.198 2.447 ( -0.905 2.841 -1.401) 3.294 2.481 ( -5.261 -0.001 -3.349) 6.237 2.572 ( 1.139 -2.725 -2.612) 3.943 2.654 ( -0.600 3.254 0.881) 3.424 2.812 ( -2.972 0.793 -0.452) 3.109 2.939 ( -1.315 1.360 2.883) 3.448 3.015 ( -3.271 1.280 2.992) 4.614 3.330 ( -0.035 -4.764 1.996) 5.165 4.911 ( 1.584 -0.270 1.032) 1.910 5.099 ( 3.581 2.589 -3.513) 5.645 5.671 ( 0.328 0.333 0.995) 1.099 5.755 ( 0.759 -0.137 -1.746) 1.909 5.940 ( 0.497 1.353 6.530) 6.687 6.092 ( 4.007 1.248 -3.302) 5.340 6.196 ( 3.774 0.771 -1.431) 4.109 6.335 ( 0.709 -1.065 -0.450) 1.356 7.621 ( 0.289 0.308 1.376) 1.439 7.716 ( -0.355 -1.080 -0.431) 1.216 8.567 ( -0.464 0.003 -0.171) 0.494 8.598 ( -0.126 -0.804 -1.736) 1.917 13.944 ( 0.619 2.686 0.248) 2.768 14.139 ( 0.646 4.375 -4.469) 6.288 14.804 ( 13.710 1.927 5.692) 14.969 15.109 ( 9.998 -6.678 0.535) 12.035 18.280 ( -0.618 1.765 5.543) 5.850 18.335 ( 1.049 -1.656 1.011) 2.206 19.347 ( 13.466 0.569 -14.867) 20.067 19.725 ( 5.410 11.563 13.426) 18.526 20.340 ( -3.200 1.129 2.768) 4.379 20.505 ( -0.418 1.072 -11.392) 11.450 22.339 ( -3.514 0.133 10.986) 11.535 22.486 ( 4.971 1.207 -8.150) 9.622 45.704 ( 1.592 1.184 -0.202) 1.995 45.822 ( 0.849 1.754 1.258) 2.319 46.172 ( -5.112 -0.511 -2.043) 5.529 46.287 ( -6.447 -5.580 -0.341) 8.533 98.833 ( 1.370 0.561 0.598) 1.596 99.024 ( 0.965 3.526 -1.360) 3.901 99.298 ( -1.170 1.529 -0.001) 1.925 99.370 ( -0.330 -1.253 -0.007) 1.296 99.620 ( -0.369 1.422 -0.963) 1.757 99.767 ( 0.371 -7.890 0.389) 7.908 100.342 ( -5.906 -0.827 -7.139) 9.303 100.559 ( -4.179 0.685 8.399) 9.406 ======================= Grid point 325 (160/160) ======================= q-point: (-0.11 -0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -7.275 0.000 11.437) 13.554 0.947 ( -4.190 0.000 18.025) 18.506 1.510 ( -3.685 0.000 -6.538) 7.505 1.531 ( -10.999 0.000 -3.287) 11.480 1.733 ( -5.586 0.000 19.056) 19.858 1.840 ( 0.407 -0.000 -3.276) 3.301 1.896 ( -3.426 0.000 -0.450) 3.455 1.954 ( -0.002 0.000 -4.527) 4.527 2.200 ( -3.572 0.000 1.015) 3.713 2.290 ( 3.402 -0.000 -4.573) 5.700 2.394 ( -5.769 0.000 -3.780) 6.897 2.416 ( -3.566 0.000 -7.039) 7.891 2.593 ( 5.691 -0.000 1.845) 5.982 2.695 ( 1.399 -0.000 -0.671) 1.552 2.789 ( -3.002 0.000 0.609) 3.063 2.914 ( -5.912 0.000 1.720) 6.157 3.057 ( 5.018 -0.000 0.385) 5.033 3.270 ( -5.040 0.000 5.960) 7.805 4.935 ( 1.929 -0.000 1.908) 2.713 5.135 ( 2.764 -0.000 -6.166) 6.758 5.682 ( 0.243 -0.000 1.125) 1.151 5.752 ( 0.592 -0.000 -2.057) 2.141 5.988 ( 0.250 -0.000 6.305) 6.310 6.124 ( 3.322 -0.000 -4.146) 5.313 6.241 ( 3.606 -0.000 -0.058) 3.607 6.329 ( 0.128 -0.000 -0.157) 0.203 7.633 ( 0.355 -0.000 1.417) 1.461 7.699 ( -0.636 0.000 -0.540) 0.834 8.561 ( -1.059 0.000 0.743) 1.294 8.581 ( 0.403 -0.000 -2.487) 2.519 13.966 ( 0.478 -0.000 0.015) 0.478 14.146 ( -1.844 0.000 -4.625) 4.979 14.991 ( 12.125 -0.000 5.766) 13.426 15.174 ( 9.395 -0.000 1.179) 9.469 18.305 ( -6.924 0.000 13.356) 15.044 18.344 ( 7.065 -0.000 -7.146) 10.049 19.442 ( 15.413 -0.000 -12.424) 19.796 19.914 ( -0.643 0.000 3.579) 3.637 20.332 ( -3.055 0.000 3.750) 4.837 20.453 ( 0.395 -0.000 -11.515) 11.522 22.350 ( -3.880 0.000 10.842) 11.515 22.514 ( 5.012 -0.000 -8.282) 9.681 45.737 ( 3.052 -0.000 -1.115) 3.249 45.848 ( -0.333 0.000 0.303) 0.451 46.112 ( -3.633 0.000 -2.399) 4.354 46.156 ( -7.394 0.000 1.302) 7.508 98.860 ( 2.002 -0.000 0.937) 2.211 99.055 ( 0.580 -0.000 -4.575) 4.611 99.306 ( -2.195 0.000 0.372) 2.226 99.326 ( -2.512 0.000 -1.593) 2.974 99.649 ( -1.692 0.000 0.059) 1.693 99.665 ( -0.106 0.000 0.161) 0.192 100.294 ( 2.955 -0.000 -0.579) 3.011 100.551 ( -5.970 0.000 8.196) 10.140 =================== 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 3/30618 10.0 47.713 45.884 51.482 -0.000 -0.656 0.000 3/30618 20.0 10.932 9.226 11.009 -0.000 -1.087 0.000 3/30618 30.0 5.891 4.835 5.855 -0.000 -0.607 0.000 3/30618 40.0 4.139 3.371 4.101 -0.000 -0.407 0.000 3/30618 50.0 3.222 2.612 3.185 -0.000 -0.303 0.000 3/30618 60.0 2.641 2.132 2.606 -0.000 -0.241 0.000 3/30618 70.0 2.236 1.797 2.203 -0.000 -0.201 0.000 3/30618 80.0 1.938 1.551 1.906 -0.000 -0.172 0.000 3/30618 90.0 1.710 1.363 1.679 -0.000 -0.151 0.000 3/30618 100.0 1.531 1.216 1.501 -0.000 -0.135 0.000 3/30618 110.0 1.386 1.098 1.358 -0.000 -0.123 0.000 3/30618 120.0 1.268 1.001 1.241 -0.000 -0.113 0.000 3/30618 130.0 1.170 0.921 1.144 -0.000 -0.105 0.000 3/30618 140.0 1.086 0.853 1.062 -0.000 -0.099 0.000 3/30618 150.0 1.015 0.794 0.992 -0.000 -0.093 0.000 3/30618 160.0 0.953 0.744 0.932 -0.000 -0.089 0.000 3/30618 170.0 0.898 0.700 0.879 -0.000 -0.085 0.000 3/30618 180.0 0.850 0.660 0.833 -0.000 -0.081 0.000 3/30618 190.0 0.807 0.626 0.792 -0.000 -0.078 0.000 3/30618 200.0 0.768 0.594 0.755 -0.000 -0.076 0.000 3/30618 210.0 0.734 0.566 0.722 -0.000 -0.073 0.000 3/30618 220.0 0.702 0.541 0.692 -0.000 -0.071 0.000 3/30618 230.0 0.673 0.517 0.664 -0.000 -0.069 0.000 3/30618 240.0 0.646 0.496 0.639 -0.000 -0.067 0.000 3/30618 250.0 0.622 0.477 0.616 -0.000 -0.066 0.000 3/30618 260.0 0.599 0.458 0.594 -0.000 -0.064 0.000 3/30618 270.0 0.578 0.442 0.574 -0.000 -0.062 0.000 3/30618 280.0 0.559 0.426 0.555 -0.000 -0.061 0.000 3/30618 290.0 0.540 0.412 0.538 -0.000 -0.060 0.000 3/30618 300.0 0.523 0.398 0.522 -0.000 -0.058 0.000 3/30618 310.0 0.507 0.386 0.506 -0.000 -0.057 0.000 3/30618 320.0 0.492 0.374 0.492 -0.000 -0.056 0.000 3/30618 330.0 0.478 0.363 0.479 -0.000 -0.055 0.000 3/30618 340.0 0.465 0.352 0.466 -0.000 -0.054 0.000 3/30618 350.0 0.453 0.342 0.454 -0.000 -0.052 0.000 3/30618 360.0 0.441 0.333 0.442 -0.000 -0.051 0.000 3/30618 370.0 0.429 0.324 0.431 -0.000 -0.050 0.000 3/30618 380.0 0.419 0.316 0.421 -0.000 -0.049 0.000 3/30618 390.0 0.409 0.308 0.411 -0.000 -0.048 0.000 3/30618 400.0 0.399 0.301 0.401 -0.000 -0.047 0.000 3/30618 410.0 0.390 0.294 0.392 -0.000 -0.047 0.000 3/30618 420.0 0.381 0.287 0.384 -0.000 -0.046 0.000 3/30618 430.0 0.373 0.280 0.376 -0.000 -0.045 0.000 3/30618 440.0 0.365 0.274 0.368 -0.000 -0.044 0.000 3/30618 450.0 0.357 0.268 0.360 -0.000 -0.043 0.000 3/30618 460.0 0.350 0.263 0.353 -0.000 -0.043 0.000 3/30618 470.0 0.343 0.257 0.346 -0.000 -0.042 0.000 3/30618 480.0 0.336 0.252 0.339 -0.000 -0.041 0.000 3/30618 490.0 0.330 0.247 0.333 -0.000 -0.040 0.000 3/30618 500.0 0.324 0.242 0.327 -0.000 -0.040 0.000 3/30618 510.0 0.318 0.238 0.321 -0.000 -0.039 0.000 3/30618 520.0 0.312 0.233 0.315 -0.000 -0.038 0.000 3/30618 530.0 0.307 0.229 0.309 -0.000 -0.038 0.000 3/30618 540.0 0.302 0.225 0.304 -0.000 -0.037 0.000 3/30618 550.0 0.296 0.221 0.299 -0.000 -0.037 0.000 3/30618 560.0 0.292 0.218 0.294 -0.000 -0.036 0.000 3/30618 570.0 0.287 0.214 0.289 -0.000 -0.035 0.000 3/30618 580.0 0.282 0.210 0.285 -0.000 -0.035 0.000 3/30618 590.0 0.278 0.207 0.280 -0.000 -0.034 0.000 3/30618 600.0 0.274 0.204 0.276 -0.000 -0.034 0.000 3/30618 610.0 0.269 0.201 0.271 -0.000 -0.033 0.000 3/30618 620.0 0.265 0.198 0.267 -0.000 -0.033 0.000 3/30618 630.0 0.262 0.195 0.263 -0.000 -0.032 0.000 3/30618 640.0 0.258 0.192 0.259 -0.000 -0.032 0.000 3/30618 650.0 0.254 0.189 0.256 -0.000 -0.031 0.000 3/30618 660.0 0.251 0.186 0.252 -0.000 -0.031 0.000 3/30618 670.0 0.247 0.184 0.249 -0.000 -0.030 0.000 3/30618 680.0 0.244 0.181 0.245 -0.000 -0.030 0.000 3/30618 690.0 0.241 0.179 0.242 -0.000 -0.030 0.000 3/30618 700.0 0.238 0.176 0.239 -0.000 -0.029 0.000 3/30618 710.0 0.235 0.174 0.235 -0.000 -0.029 0.000 3/30618 720.0 0.232 0.172 0.232 -0.000 -0.028 0.000 3/30618 730.0 0.229 0.170 0.229 -0.000 -0.028 0.000 3/30618 740.0 0.226 0.167 0.226 -0.000 -0.028 0.000 3/30618 750.0 0.223 0.165 0.224 -0.000 -0.027 0.000 3/30618 760.0 0.220 0.163 0.221 -0.000 -0.027 0.000 3/30618 770.0 0.218 0.161 0.218 -0.000 -0.027 0.000 3/30618 780.0 0.215 0.159 0.215 -0.000 -0.026 0.000 3/30618 790.0 0.213 0.158 0.213 -0.000 -0.026 0.000 3/30618 800.0 0.210 0.156 0.210 -0.000 -0.026 0.000 3/30618 810.0 0.208 0.154 0.208 -0.000 -0.025 0.000 3/30618 820.0 0.206 0.152 0.206 -0.000 -0.025 0.000 3/30618 830.0 0.204 0.151 0.203 -0.000 -0.025 0.000 3/30618 840.0 0.201 0.149 0.201 -0.000 -0.024 0.000 3/30618 850.0 0.199 0.147 0.199 -0.000 -0.024 0.000 3/30618 860.0 0.197 0.146 0.197 -0.000 -0.024 0.000 3/30618 870.0 0.195 0.144 0.194 -0.000 -0.024 0.000 3/30618 880.0 0.193 0.143 0.192 -0.000 -0.023 0.000 3/30618 890.0 0.191 0.141 0.190 -0.000 -0.023 0.000 3/30618 900.0 0.189 0.140 0.188 -0.000 -0.023 0.000 3/30618 910.0 0.187 0.138 0.186 -0.000 -0.023 0.000 3/30618 920.0 0.186 0.137 0.184 -0.000 -0.022 0.000 3/30618 930.0 0.184 0.136 0.183 -0.000 -0.022 0.000 3/30618 940.0 0.182 0.134 0.181 -0.000 -0.022 0.000 3/30618 950.0 0.180 0.133 0.179 -0.000 -0.022 0.000 3/30618 960.0 0.179 0.132 0.177 -0.000 -0.021 0.000 3/30618 970.0 0.177 0.130 0.175 -0.000 -0.021 0.000 3/30618 980.0 0.175 0.129 0.174 -0.000 -0.021 0.000 3/30618 990.0 0.174 0.128 0.172 -0.000 -0.021 0.000 3/30618 1000.0 0.172 0.127 0.170 -0.000 -0.020 0.000 3/30618 Thermal conductivity related properties were written into "kappa-m997.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:56:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|