----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:31:19]------------------------- Compiled with OpenMP support (max 48 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 6.250901780137859 -6.163172760000000 0.000000000000000 b 6.250901780137859 6.163172760000000 0.000000000000000 c -0.086196002272102 0.000000000000000 6.465121802608311 Atomic positions (fractional): *1 Br 0.81438301606480 0.42186772000488 0.59352261127981 79.904 *2 Br 0.41610019816760 0.19098912946968 0.40463797225671 79.904 3 Br 0.80901087053032 0.58389980183240 0.09536202774329 79.904 4 Br 0.58389980183240 0.80901087053032 0.59536202774329 79.904 5 Br 0.19098912946968 0.41610019816760 0.90463797225671 79.904 6 Br 0.18561698393520 0.57813227999512 0.40647738872019 79.904 7 Br 0.42186772000488 0.81438301606480 0.09352261127981 79.904 8 Br 0.57813227999512 0.18561698393520 0.90647738872019 79.904 *9 Y 0.89988011179942 0.25291877331636 0.99018668324278 88.906 10 Y 0.25291877331636 0.89988011179942 0.49018668324278 88.906 *11 Y 0.74854124992837 0.90223739228811 0.99161793676540 88.906 12 Y 0.90223739228811 0.74854124992837 0.49161793676540 88.906 13 Y 0.25145875007163 0.09776260771189 0.00838206323460 88.906 14 Y 0.74708122668364 0.10011988820058 0.50981331675722 88.906 15 Y 0.10011988820058 0.74708122668364 0.00981331675722 88.906 16 Y 0.09776260771189 0.25145875007163 0.50838206323460 88.906 *17 Os 0.99523729598827 0.00476270401173 0.25000000000000 190.230 18 Os 0.00476270401173 0.99523729598827 0.75000000000000 190.230 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.501803560275718 0.000000000000000 0.000000000000000 b 0.000000000000000 12.326345520000000 0.000000000000000 c -0.086196002272102 0.000000000000000 6.465121802608311 Atomic positions (fractional): *1 Br 0.61812536803484 0.80374235197004 0.59352261127981 79.904 > 1 *2 Br 0.30354466381864 0.88744446565104 0.40463797225671 79.904 > 2 3 Br 0.69645533618136 0.88744446565104 0.09536202774329 79.904 > 3 4 Br 0.69645533618136 0.11255553434896 0.59536202774329 79.904 > 4 5 Br 0.30354466381864 0.11255553434896 0.90463797225671 79.904 > 5 6 Br 0.38187463196516 0.19625764802996 0.40647738872019 79.904 > 6 7 Br 0.61812536803484 0.19625764802996 0.09352261127981 79.904 > 7 8 Br 0.38187463196516 0.80374235197004 0.90647738872019 79.904 > 8 9 Br 0.11812536803484 0.30374235197004 0.59352261127981 79.904 > 1 10 Br 0.80354466381864 0.38744446565104 0.40463797225671 79.904 > 2 11 Br 0.19645533618136 0.38744446565104 0.09536202774329 79.904 > 3 12 Br 0.19645533618136 0.61255553434896 0.59536202774329 79.904 > 4 13 Br 0.80354466381864 0.61255553434896 0.90463797225671 79.904 > 5 14 Br 0.88187463196516 0.69625764802996 0.40647738872019 79.904 > 6 15 Br 0.11812536803484 0.69625764802996 0.09352261127981 79.904 > 7 16 Br 0.88187463196516 0.30374235197004 0.90647738872019 79.904 > 8 *17 Y 0.57639944255789 0.67651933075847 0.99018668324278 88.906 > 9 18 Y 0.57639944255789 0.32348066924153 0.49018668324278 88.906 > 10 *19 Y 0.82538932110824 0.07684807117987 0.99161793676540 88.906 > 11 20 Y 0.82538932110824 0.92315192882013 0.49161793676540 88.906 > 12 21 Y 0.17461067889176 0.92315192882013 0.00838206323460 88.906 > 13 22 Y 0.42360055744211 0.67651933075847 0.50981331675722 88.906 > 14 23 Y 0.42360055744211 0.32348066924153 0.00981331675722 88.906 > 15 24 Y 0.17461067889176 0.07684807117987 0.50838206323460 88.906 > 16 25 Y 0.07639944255789 0.17651933075847 0.99018668324278 88.906 > 9 26 Y 0.07639944255789 0.82348066924153 0.49018668324278 88.906 > 10 27 Y 0.32538932110824 0.57684807117987 0.99161793676540 88.906 > 11 28 Y 0.32538932110824 0.42315192882013 0.49161793676540 88.906 > 12 29 Y 0.67461067889176 0.42315192882013 0.00838206323460 88.906 > 13 30 Y 0.92360055744211 0.17651933075847 0.50981331675722 88.906 > 14 31 Y 0.92360055744211 0.82348066924153 0.00981331675722 88.906 > 15 32 Y 0.67461067889176 0.57684807117987 0.50838206323460 88.906 > 16 *33 Os 0.50000000000000 0.50476270401173 0.25000000000000 190.230 > 17 34 Os 0.50000000000000 0.49523729598827 0.75000000000000 190.230 > 18 35 Os 0.00000000000000 0.00476270401173 0.25000000000000 190.230 > 17 36 Os 0.00000000000000 0.99523729598827 0.75000000000000 190.230 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.501803560275718 0.000000000000000 0.000000000000000 b 0.000000000000000 24.652691040000001 0.000000000000000 c -0.172392004544204 0.000000000000000 12.930243605216623 Atomic positions (fractional): *1 Br 0.61812536803484 0.40187117598502 0.29676130563991 79.904 > 1 2 Br 0.61812536803484 0.90187117598502 0.29676130563991 79.904 > 1 3 Br 0.61812536803484 0.40187117598502 0.79676130563991 79.904 > 1 4 Br 0.61812536803484 0.90187117598502 0.79676130563991 79.904 > 1 *5 Br 0.30354466381864 0.44372223282552 0.20231898612836 79.904 > 2 6 Br 0.30354466381864 0.94372223282552 0.20231898612836 79.904 > 2 7 Br 0.30354466381864 0.44372223282552 0.70231898612836 79.904 > 2 8 Br 0.30354466381864 0.94372223282552 0.70231898612836 79.904 > 2 9 Br 0.69645533618136 0.44372223282552 0.04768101387164 79.904 > 3 10 Br 0.69645533618136 0.94372223282552 0.04768101387164 79.904 > 3 11 Br 0.69645533618136 0.44372223282552 0.54768101387164 79.904 > 3 12 Br 0.69645533618136 0.94372223282552 0.54768101387164 79.904 > 3 13 Br 0.69645533618136 0.05627776717448 0.29768101387164 79.904 > 4 14 Br 0.69645533618136 0.55627776717448 0.29768101387164 79.904 > 4 15 Br 0.69645533618136 0.05627776717448 0.79768101387164 79.904 > 4 16 Br 0.69645533618136 0.55627776717448 0.79768101387164 79.904 > 4 17 Br 0.30354466381864 0.05627776717448 0.45231898612836 79.904 > 5 18 Br 0.30354466381864 0.55627776717448 0.45231898612836 79.904 > 5 19 Br 0.30354466381864 0.05627776717448 0.95231898612836 79.904 > 5 20 Br 0.30354466381864 0.55627776717448 0.95231898612836 79.904 > 5 21 Br 0.38187463196516 0.09812882401498 0.20323869436009 79.904 > 6 22 Br 0.38187463196516 0.59812882401498 0.20323869436009 79.904 > 6 23 Br 0.38187463196516 0.09812882401498 0.70323869436009 79.904 > 6 24 Br 0.38187463196516 0.59812882401498 0.70323869436009 79.904 > 6 25 Br 0.61812536803484 0.09812882401498 0.04676130563991 79.904 > 7 26 Br 0.61812536803484 0.59812882401498 0.04676130563991 79.904 > 7 27 Br 0.61812536803484 0.09812882401498 0.54676130563991 79.904 > 7 28 Br 0.61812536803484 0.59812882401498 0.54676130563991 79.904 > 7 29 Br 0.38187463196516 0.40187117598502 0.45323869436009 79.904 > 8 30 Br 0.38187463196516 0.90187117598502 0.45323869436009 79.904 > 8 31 Br 0.38187463196516 0.40187117598502 0.95323869436009 79.904 > 8 32 Br 0.38187463196516 0.90187117598502 0.95323869436009 79.904 > 8 33 Br 0.11812536803484 0.15187117598502 0.29676130563991 79.904 > 1 34 Br 0.11812536803484 0.65187117598502 0.29676130563991 79.904 > 1 35 Br 0.11812536803484 0.15187117598502 0.79676130563991 79.904 > 1 36 Br 0.11812536803484 0.65187117598502 0.79676130563991 79.904 > 1 37 Br 0.80354466381864 0.19372223282552 0.20231898612836 79.904 > 2 38 Br 0.80354466381864 0.69372223282552 0.20231898612836 79.904 > 2 39 Br 0.80354466381864 0.19372223282552 0.70231898612836 79.904 > 2 40 Br 0.80354466381864 0.69372223282552 0.70231898612836 79.904 > 2 41 Br 0.19645533618136 0.19372223282552 0.04768101387164 79.904 > 3 42 Br 0.19645533618136 0.69372223282552 0.04768101387164 79.904 > 3 43 Br 0.19645533618136 0.19372223282552 0.54768101387164 79.904 > 3 44 Br 0.19645533618136 0.69372223282552 0.54768101387164 79.904 > 3 45 Br 0.19645533618136 0.30627776717448 0.29768101387164 79.904 > 4 46 Br 0.19645533618136 0.80627776717448 0.29768101387164 79.904 > 4 47 Br 0.19645533618136 0.30627776717448 0.79768101387164 79.904 > 4 48 Br 0.19645533618136 0.80627776717448 0.79768101387164 79.904 > 4 49 Br 0.80354466381864 0.30627776717448 0.45231898612836 79.904 > 5 50 Br 0.80354466381864 0.80627776717448 0.45231898612836 79.904 > 5 51 Br 0.80354466381864 0.30627776717448 0.95231898612836 79.904 > 5 52 Br 0.80354466381864 0.80627776717448 0.95231898612836 79.904 > 5 53 Br 0.88187463196516 0.34812882401498 0.20323869436009 79.904 > 6 54 Br 0.88187463196516 0.84812882401498 0.20323869436009 79.904 > 6 55 Br 0.88187463196516 0.34812882401498 0.70323869436009 79.904 > 6 56 Br 0.88187463196516 0.84812882401498 0.70323869436009 79.904 > 6 57 Br 0.11812536803484 0.34812882401498 0.04676130563991 79.904 > 7 58 Br 0.11812536803484 0.84812882401498 0.04676130563991 79.904 > 7 59 Br 0.11812536803484 0.34812882401498 0.54676130563991 79.904 > 7 60 Br 0.11812536803484 0.84812882401498 0.54676130563991 79.904 > 7 61 Br 0.88187463196516 0.15187117598502 0.45323869436009 79.904 > 8 62 Br 0.88187463196516 0.65187117598502 0.45323869436009 79.904 > 8 63 Br 0.88187463196516 0.15187117598502 0.95323869436009 79.904 > 8 64 Br 0.88187463196516 0.65187117598502 0.95323869436009 79.904 > 8 *65 Y 0.57639944255789 0.33825966537924 0.49509334162139 88.906 > 9 66 Y 0.57639944255789 0.83825966537924 0.49509334162139 88.906 > 9 67 Y 0.57639944255789 0.33825966537924 0.99509334162139 88.906 > 9 68 Y 0.57639944255789 0.83825966537924 0.99509334162139 88.906 > 9 69 Y 0.57639944255789 0.16174033462077 0.24509334162139 88.906 > 10 70 Y 0.57639944255789 0.66174033462076 0.24509334162139 88.906 > 10 71 Y 0.57639944255789 0.16174033462077 0.74509334162139 88.906 > 10 72 Y 0.57639944255789 0.66174033462076 0.74509334162139 88.906 > 10 *73 Y 0.82538932110824 0.03842403558993 0.49580896838270 88.906 > 11 74 Y 0.82538932110824 0.53842403558994 0.49580896838270 88.906 > 11 75 Y 0.82538932110824 0.03842403558993 0.99580896838270 88.906 > 11 76 Y 0.82538932110824 0.53842403558994 0.99580896838270 88.906 > 11 77 Y 0.82538932110824 0.46157596441006 0.24580896838270 88.906 > 12 78 Y 0.82538932110824 0.96157596441006 0.24580896838270 88.906 > 12 79 Y 0.82538932110824 0.46157596441006 0.74580896838270 88.906 > 12 80 Y 0.82538932110824 0.96157596441006 0.74580896838270 88.906 > 12 81 Y 0.17461067889176 0.46157596441006 0.00419103161730 88.906 > 13 82 Y 0.17461067889176 0.96157596441006 0.00419103161730 88.906 > 13 83 Y 0.17461067889176 0.46157596441006 0.50419103161730 88.906 > 13 84 Y 0.17461067889176 0.96157596441006 0.50419103161730 88.906 > 13 85 Y 0.42360055744211 0.33825966537924 0.25490665837861 88.906 > 14 86 Y 0.42360055744211 0.83825966537924 0.25490665837861 88.906 > 14 87 Y 0.42360055744211 0.33825966537924 0.75490665837861 88.906 > 14 88 Y 0.42360055744211 0.83825966537924 0.75490665837861 88.906 > 14 89 Y 0.42360055744211 0.16174033462077 0.00490665837861 88.906 > 15 90 Y 0.42360055744211 0.66174033462076 0.00490665837861 88.906 > 15 91 Y 0.42360055744211 0.16174033462077 0.50490665837861 88.906 > 15 92 Y 0.42360055744211 0.66174033462076 0.50490665837861 88.906 > 15 93 Y 0.17461067889176 0.03842403558993 0.25419103161730 88.906 > 16 94 Y 0.17461067889176 0.53842403558994 0.25419103161730 88.906 > 16 95 Y 0.17461067889176 0.03842403558993 0.75419103161730 88.906 > 16 96 Y 0.17461067889176 0.53842403558994 0.75419103161730 88.906 > 16 97 Y 0.07639944255789 0.08825966537924 0.49509334162139 88.906 > 9 98 Y 0.07639944255789 0.58825966537924 0.49509334162139 88.906 > 9 99 Y 0.07639944255789 0.08825966537924 0.99509334162139 88.906 > 9 100 Y 0.07639944255789 0.58825966537924 0.99509334162139 88.906 > 9 101 Y 0.07639944255789 0.41174033462076 0.24509334162139 88.906 > 10 102 Y 0.07639944255789 0.91174033462076 0.24509334162139 88.906 > 10 103 Y 0.07639944255789 0.41174033462076 0.74509334162139 88.906 > 10 104 Y 0.07639944255789 0.91174033462076 0.74509334162139 88.906 > 10 105 Y 0.32538932110824 0.28842403558994 0.49580896838270 88.906 > 11 106 Y 0.32538932110824 0.78842403558994 0.49580896838270 88.906 > 11 107 Y 0.32538932110824 0.28842403558994 0.99580896838270 88.906 > 11 108 Y 0.32538932110824 0.78842403558994 0.99580896838270 88.906 > 11 109 Y 0.32538932110824 0.21157596441006 0.24580896838270 88.906 > 12 110 Y 0.32538932110824 0.71157596441006 0.24580896838270 88.906 > 12 111 Y 0.32538932110824 0.21157596441006 0.74580896838270 88.906 > 12 112 Y 0.32538932110824 0.71157596441006 0.74580896838270 88.906 > 12 113 Y 0.67461067889176 0.21157596441006 0.00419103161730 88.906 > 13 114 Y 0.67461067889176 0.71157596441006 0.00419103161730 88.906 > 13 115 Y 0.67461067889176 0.21157596441006 0.50419103161730 88.906 > 13 116 Y 0.67461067889176 0.71157596441006 0.50419103161730 88.906 > 13 117 Y 0.92360055744211 0.08825966537924 0.25490665837861 88.906 > 14 118 Y 0.92360055744211 0.58825966537924 0.25490665837861 88.906 > 14 119 Y 0.92360055744211 0.08825966537924 0.75490665837861 88.906 > 14 120 Y 0.92360055744211 0.58825966537924 0.75490665837861 88.906 > 14 121 Y 0.92360055744211 0.41174033462076 0.00490665837861 88.906 > 15 122 Y 0.92360055744211 0.91174033462076 0.00490665837861 88.906 > 15 123 Y 0.92360055744211 0.41174033462076 0.50490665837861 88.906 > 15 124 Y 0.92360055744211 0.91174033462076 0.50490665837861 88.906 > 15 125 Y 0.67461067889176 0.28842403558994 0.25419103161730 88.906 > 16 126 Y 0.67461067889176 0.78842403558994 0.25419103161730 88.906 > 16 127 Y 0.67461067889176 0.28842403558994 0.75419103161730 88.906 > 16 128 Y 0.67461067889176 0.78842403558994 0.75419103161730 88.906 > 16 *129 Os 0.50000000000000 0.25238135200586 0.12500000000000 190.230 > 17 130 Os 0.50000000000000 0.75238135200586 0.12500000000000 190.230 > 17 131 Os 0.50000000000000 0.25238135200586 0.62500000000000 190.230 > 17 132 Os 0.50000000000000 0.75238135200586 0.62500000000000 190.230 > 17 133 Os 0.50000000000000 0.24761864799414 0.37500000000000 190.230 > 18 134 Os 0.50000000000000 0.74761864799414 0.37500000000000 190.230 > 18 135 Os 0.50000000000000 0.24761864799414 0.87500000000000 190.230 > 18 136 Os 0.50000000000000 0.74761864799414 0.87500000000000 190.230 > 18 137 Os 0.00000000000000 0.00238135200586 0.12500000000000 190.230 > 17 138 Os 0.00000000000000 0.50238135200586 0.12500000000000 190.230 > 17 139 Os 0.00000000000000 0.00238135200586 0.62500000000000 190.230 > 17 140 Os 0.00000000000000 0.50238135200586 0.62500000000000 190.230 > 17 141 Os 0.00000000000000 0.49761864799414 0.37500000000000 190.230 > 18 142 Os 0.00000000000000 0.99761864799414 0.37500000000000 190.230 > 18 143 Os 0.00000000000000 0.49761864799414 0.87500000000000 190.230 > 18 144 Os 0.00000000000000 0.99761864799414 0.87500000000000 190.230 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0930268 0.0000000 -0.0781363 0.0000000 8.0697104 0.0000000 -0.0781956 0.0000000 12.7632829 -------------------------- Born effective charges -------------------------- 1 Br -1.3436117 -0.9323141 0.0628313 -1.0305204 -1.5727737 -0.0995395 0.1661811 0.2132302 -1.1470787 2 Br -1.4727254 1.0064774 0.0260814 0.9848854 -1.4731428 0.0315744 -0.1183668 0.1925418 -1.1170681 3 Br -1.4727254 -1.0064774 0.0260814 -0.9848854 -1.4731428 -0.0315744 -0.1183668 -0.1925418 -1.1170681 4 Br -1.4727254 1.0064774 0.0260814 0.9848854 -1.4731428 0.0315744 -0.1183668 0.1925418 -1.1170681 5 Br -1.4727254 -1.0064774 0.0260814 -0.9848854 -1.4731428 -0.0315744 -0.1183668 -0.1925418 -1.1170681 6 Br -1.3436117 -0.9323141 0.0628313 -1.0305204 -1.5727737 -0.0995395 0.1661811 0.2132302 -1.1470787 7 Br -1.3436117 0.9323141 0.0628313 1.0305204 -1.5727737 0.0995395 0.1661811 -0.2132302 -1.1470787 8 Br -1.3436117 0.9323141 0.0628313 1.0305204 -1.5727737 0.0995395 0.1661811 -0.2132302 -1.1470787 9 Y 2.6038726 0.8271606 -0.0566693 0.6307699 2.2827945 -0.3672408 -0.0407867 -0.0708275 3.0606866 10 Y 2.6038726 -0.8271606 -0.0566693 -0.6307699 2.2827945 0.3672408 -0.0407867 0.0708275 3.0606866 11 Y 1.7821550 -0.6852211 0.0365895 -0.8020206 2.3629553 -0.5126689 0.2078378 -0.0614403 3.0672178 12 Y 1.7821550 0.6852211 0.0365895 0.8020206 2.3629553 0.5126689 0.2078378 0.0614403 3.0672178 13 Y 1.7821550 -0.6852211 0.0365895 -0.8020206 2.3629553 -0.5126689 0.2078378 -0.0614403 3.0672178 14 Y 2.6038726 -0.8271606 -0.0566693 -0.6307699 2.2827945 0.3672408 -0.0407867 0.0708275 3.0606866 15 Y 2.6038726 0.8271606 -0.0566693 0.6307699 2.2827945 -0.3672408 -0.0407867 -0.0708275 3.0606866 16 Y 1.7821550 0.6852211 0.0365895 0.8020206 2.3629553 0.5126689 0.2078378 0.0614403 3.0672178 17 Os -3.1393812 0.0000000 -0.1376658 -0.0000000 -3.1996666 0.0000000 -0.4297307 0.0000000 -7.7275154 18 Os -3.1393812 0.0000000 -0.1376658 -0.0000000 -3.1996666 0.0000000 -0.4297307 0.0000000 -7.7275154 ---------------------------------------------------------------------------- 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: 14256/14256 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) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 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, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 560 - Time: 1.786 Solver_block: 200 / 560 - Time: 1.728 Solver_block: 300 / 560 - Time: 1.737 Solver_block: 400 / 560 - Time: 1.758 Solver_block: 500 / 560 - Time: 1.726 Solver_block: 560 / 560 - Time: 1.101 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.969 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 14256/14256 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) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 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, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 07:32:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:32:04]------------------------- Compiled with OpenMP support (max 48 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 6.250901780137859 -6.163172760000000 0.000000000000000 b 6.250901780137859 6.163172760000000 0.000000000000000 c -0.086196002272102 0.000000000000000 6.465121802608311 Atomic positions (fractional): 1 Br 0.81438301606480 0.42186772000488 0.59352261127981 79.904 2 Br 0.41610019816760 0.19098912946968 0.40463797225671 79.904 3 Br 0.80901087053032 0.58389980183240 0.09536202774329 79.904 4 Br 0.58389980183240 0.80901087053032 0.59536202774329 79.904 5 Br 0.19098912946968 0.41610019816760 0.90463797225671 79.904 6 Br 0.18561698393520 0.57813227999512 0.40647738872019 79.904 7 Br 0.42186772000488 0.81438301606480 0.09352261127981 79.904 8 Br 0.57813227999512 0.18561698393520 0.90647738872019 79.904 9 Y 0.89988011179942 0.25291877331636 0.99018668324278 88.906 10 Y 0.25291877331636 0.89988011179942 0.49018668324278 88.906 11 Y 0.74854124992837 0.90223739228811 0.99161793676540 88.906 12 Y 0.90223739228811 0.74854124992837 0.49161793676540 88.906 13 Y 0.25145875007163 0.09776260771189 0.00838206323460 88.906 14 Y 0.74708122668364 0.10011988820058 0.50981331675722 88.906 15 Y 0.10011988820058 0.74708122668364 0.00981331675722 88.906 16 Y 0.09776260771189 0.25145875007163 0.50838206323460 88.906 17 Os 0.99523729598827 0.00476270401173 0.25000000000000 190.230 18 Os 0.00476270401173 0.99523729598827 0.75000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.501803560275718 0.000000000000000 0.000000000000000 b 0.000000000000000 24.652691040000001 0.000000000000000 c -0.172392004544204 0.000000000000000 12.930243605216623 Atomic positions (fractional): 1 Br 0.61812536803484 0.40187117598502 0.29676130563991 79.904 > 1 2 Br 0.61812536803484 0.90187117598502 0.29676130563991 79.904 > 1 3 Br 0.61812536803484 0.40187117598502 0.79676130563991 79.904 > 1 4 Br 0.61812536803484 0.90187117598502 0.79676130563991 79.904 > 1 5 Br 0.30354466381864 0.44372223282552 0.20231898612836 79.904 > 5 6 Br 0.30354466381864 0.94372223282552 0.20231898612836 79.904 > 5 7 Br 0.30354466381864 0.44372223282552 0.70231898612836 79.904 > 5 8 Br 0.30354466381864 0.94372223282552 0.70231898612836 79.904 > 5 9 Br 0.69645533618136 0.44372223282552 0.04768101387164 79.904 > 9 10 Br 0.69645533618136 0.94372223282552 0.04768101387164 79.904 > 9 11 Br 0.69645533618136 0.44372223282552 0.54768101387164 79.904 > 9 12 Br 0.69645533618136 0.94372223282552 0.54768101387164 79.904 > 9 13 Br 0.69645533618136 0.05627776717448 0.29768101387164 79.904 > 13 14 Br 0.69645533618136 0.55627776717448 0.29768101387164 79.904 > 13 15 Br 0.69645533618136 0.05627776717448 0.79768101387164 79.904 > 13 16 Br 0.69645533618136 0.55627776717448 0.79768101387164 79.904 > 13 17 Br 0.30354466381864 0.05627776717448 0.45231898612836 79.904 > 17 18 Br 0.30354466381864 0.55627776717448 0.45231898612836 79.904 > 17 19 Br 0.30354466381864 0.05627776717448 0.95231898612836 79.904 > 17 20 Br 0.30354466381864 0.55627776717448 0.95231898612836 79.904 > 17 21 Br 0.38187463196516 0.09812882401498 0.20323869436009 79.904 > 21 22 Br 0.38187463196516 0.59812882401498 0.20323869436009 79.904 > 21 23 Br 0.38187463196516 0.09812882401498 0.70323869436009 79.904 > 21 24 Br 0.38187463196516 0.59812882401498 0.70323869436009 79.904 > 21 25 Br 0.61812536803484 0.09812882401498 0.04676130563991 79.904 > 25 26 Br 0.61812536803484 0.59812882401498 0.04676130563991 79.904 > 25 27 Br 0.61812536803484 0.09812882401498 0.54676130563991 79.904 > 25 28 Br 0.61812536803484 0.59812882401498 0.54676130563991 79.904 > 25 29 Br 0.38187463196516 0.40187117598502 0.45323869436009 79.904 > 29 30 Br 0.38187463196516 0.90187117598502 0.45323869436009 79.904 > 29 31 Br 0.38187463196516 0.40187117598502 0.95323869436009 79.904 > 29 32 Br 0.38187463196516 0.90187117598502 0.95323869436009 79.904 > 29 33 Br 0.11812536803484 0.15187117598502 0.29676130563991 79.904 > 1 34 Br 0.11812536803484 0.65187117598502 0.29676130563991 79.904 > 1 35 Br 0.11812536803484 0.15187117598502 0.79676130563991 79.904 > 1 36 Br 0.11812536803484 0.65187117598502 0.79676130563991 79.904 > 1 37 Br 0.80354466381864 0.19372223282552 0.20231898612836 79.904 > 5 38 Br 0.80354466381864 0.69372223282552 0.20231898612836 79.904 > 5 39 Br 0.80354466381864 0.19372223282552 0.70231898612836 79.904 > 5 40 Br 0.80354466381864 0.69372223282552 0.70231898612836 79.904 > 5 41 Br 0.19645533618136 0.19372223282552 0.04768101387164 79.904 > 9 42 Br 0.19645533618136 0.69372223282552 0.04768101387164 79.904 > 9 43 Br 0.19645533618136 0.19372223282552 0.54768101387164 79.904 > 9 44 Br 0.19645533618136 0.69372223282552 0.54768101387164 79.904 > 9 45 Br 0.19645533618136 0.30627776717448 0.29768101387164 79.904 > 13 46 Br 0.19645533618136 0.80627776717448 0.29768101387164 79.904 > 13 47 Br 0.19645533618136 0.30627776717448 0.79768101387164 79.904 > 13 48 Br 0.19645533618136 0.80627776717448 0.79768101387164 79.904 > 13 49 Br 0.80354466381864 0.30627776717448 0.45231898612836 79.904 > 17 50 Br 0.80354466381864 0.80627776717448 0.45231898612836 79.904 > 17 51 Br 0.80354466381864 0.30627776717448 0.95231898612836 79.904 > 17 52 Br 0.80354466381864 0.80627776717448 0.95231898612836 79.904 > 17 53 Br 0.88187463196516 0.34812882401498 0.20323869436009 79.904 > 21 54 Br 0.88187463196516 0.84812882401498 0.20323869436009 79.904 > 21 55 Br 0.88187463196516 0.34812882401498 0.70323869436009 79.904 > 21 56 Br 0.88187463196516 0.84812882401498 0.70323869436009 79.904 > 21 57 Br 0.11812536803484 0.34812882401498 0.04676130563991 79.904 > 25 58 Br 0.11812536803484 0.84812882401498 0.04676130563991 79.904 > 25 59 Br 0.11812536803484 0.34812882401498 0.54676130563991 79.904 > 25 60 Br 0.11812536803484 0.84812882401498 0.54676130563991 79.904 > 25 61 Br 0.88187463196516 0.15187117598502 0.45323869436009 79.904 > 29 62 Br 0.88187463196516 0.65187117598502 0.45323869436009 79.904 > 29 63 Br 0.88187463196516 0.15187117598502 0.95323869436009 79.904 > 29 64 Br 0.88187463196516 0.65187117598502 0.95323869436009 79.904 > 29 65 Y 0.57639944255789 0.33825966537924 0.49509334162139 88.906 > 65 66 Y 0.57639944255789 0.83825966537924 0.49509334162139 88.906 > 65 67 Y 0.57639944255789 0.33825966537924 0.99509334162139 88.906 > 65 68 Y 0.57639944255789 0.83825966537924 0.99509334162139 88.906 > 65 69 Y 0.57639944255789 0.16174033462077 0.24509334162139 88.906 > 69 70 Y 0.57639944255789 0.66174033462076 0.24509334162139 88.906 > 69 71 Y 0.57639944255789 0.16174033462077 0.74509334162139 88.906 > 69 72 Y 0.57639944255789 0.66174033462076 0.74509334162139 88.906 > 69 73 Y 0.82538932110824 0.03842403558993 0.49580896838270 88.906 > 73 74 Y 0.82538932110824 0.53842403558994 0.49580896838270 88.906 > 73 75 Y 0.82538932110824 0.03842403558993 0.99580896838270 88.906 > 73 76 Y 0.82538932110824 0.53842403558994 0.99580896838270 88.906 > 73 77 Y 0.82538932110824 0.46157596441006 0.24580896838270 88.906 > 77 78 Y 0.82538932110824 0.96157596441006 0.24580896838270 88.906 > 77 79 Y 0.82538932110824 0.46157596441006 0.74580896838270 88.906 > 77 80 Y 0.82538932110824 0.96157596441006 0.74580896838270 88.906 > 77 81 Y 0.17461067889176 0.46157596441006 0.00419103161730 88.906 > 81 82 Y 0.17461067889176 0.96157596441006 0.00419103161730 88.906 > 81 83 Y 0.17461067889176 0.46157596441006 0.50419103161730 88.906 > 81 84 Y 0.17461067889176 0.96157596441006 0.50419103161730 88.906 > 81 85 Y 0.42360055744211 0.33825966537924 0.25490665837861 88.906 > 85 86 Y 0.42360055744211 0.83825966537924 0.25490665837861 88.906 > 85 87 Y 0.42360055744211 0.33825966537924 0.75490665837861 88.906 > 85 88 Y 0.42360055744211 0.83825966537924 0.75490665837861 88.906 > 85 89 Y 0.42360055744211 0.16174033462077 0.00490665837861 88.906 > 89 90 Y 0.42360055744211 0.66174033462076 0.00490665837861 88.906 > 89 91 Y 0.42360055744211 0.16174033462077 0.50490665837861 88.906 > 89 92 Y 0.42360055744211 0.66174033462076 0.50490665837861 88.906 > 89 93 Y 0.17461067889176 0.03842403558993 0.25419103161730 88.906 > 93 94 Y 0.17461067889176 0.53842403558994 0.25419103161730 88.906 > 93 95 Y 0.17461067889176 0.03842403558993 0.75419103161730 88.906 > 93 96 Y 0.17461067889176 0.53842403558994 0.75419103161730 88.906 > 93 97 Y 0.07639944255789 0.08825966537924 0.49509334162139 88.906 > 65 98 Y 0.07639944255789 0.58825966537924 0.49509334162139 88.906 > 65 99 Y 0.07639944255789 0.08825966537924 0.99509334162139 88.906 > 65 100 Y 0.07639944255789 0.58825966537924 0.99509334162139 88.906 > 65 101 Y 0.07639944255789 0.41174033462076 0.24509334162139 88.906 > 69 102 Y 0.07639944255789 0.91174033462076 0.24509334162139 88.906 > 69 103 Y 0.07639944255789 0.41174033462076 0.74509334162139 88.906 > 69 104 Y 0.07639944255789 0.91174033462076 0.74509334162139 88.906 > 69 105 Y 0.32538932110824 0.28842403558994 0.49580896838270 88.906 > 73 106 Y 0.32538932110824 0.78842403558994 0.49580896838270 88.906 > 73 107 Y 0.32538932110824 0.28842403558994 0.99580896838270 88.906 > 73 108 Y 0.32538932110824 0.78842403558994 0.99580896838270 88.906 > 73 109 Y 0.32538932110824 0.21157596441006 0.24580896838270 88.906 > 77 110 Y 0.32538932110824 0.71157596441006 0.24580896838270 88.906 > 77 111 Y 0.32538932110824 0.21157596441006 0.74580896838270 88.906 > 77 112 Y 0.32538932110824 0.71157596441006 0.74580896838270 88.906 > 77 113 Y 0.67461067889176 0.21157596441006 0.00419103161730 88.906 > 81 114 Y 0.67461067889176 0.71157596441006 0.00419103161730 88.906 > 81 115 Y 0.67461067889176 0.21157596441006 0.50419103161730 88.906 > 81 116 Y 0.67461067889176 0.71157596441006 0.50419103161730 88.906 > 81 117 Y 0.92360055744211 0.08825966537924 0.25490665837861 88.906 > 85 118 Y 0.92360055744211 0.58825966537924 0.25490665837861 88.906 > 85 119 Y 0.92360055744211 0.08825966537924 0.75490665837861 88.906 > 85 120 Y 0.92360055744211 0.58825966537924 0.75490665837861 88.906 > 85 121 Y 0.92360055744211 0.41174033462076 0.00490665837861 88.906 > 89 122 Y 0.92360055744211 0.91174033462076 0.00490665837861 88.906 > 89 123 Y 0.92360055744211 0.41174033462076 0.50490665837861 88.906 > 89 124 Y 0.92360055744211 0.91174033462076 0.50490665837861 88.906 > 89 125 Y 0.67461067889176 0.28842403558994 0.25419103161730 88.906 > 93 126 Y 0.67461067889176 0.78842403558994 0.25419103161730 88.906 > 93 127 Y 0.67461067889176 0.28842403558994 0.75419103161730 88.906 > 93 128 Y 0.67461067889176 0.78842403558994 0.75419103161730 88.906 > 93 129 Os 0.50000000000000 0.25238135200586 0.12500000000000 190.230 > 129 130 Os 0.50000000000000 0.75238135200586 0.12500000000000 190.230 > 129 131 Os 0.50000000000000 0.25238135200586 0.62500000000000 190.230 > 129 132 Os 0.50000000000000 0.75238135200586 0.62500000000000 190.230 > 129 133 Os 0.50000000000000 0.24761864799414 0.37500000000000 190.230 > 133 134 Os 0.50000000000000 0.74761864799414 0.37500000000000 190.230 > 133 135 Os 0.50000000000000 0.24761864799414 0.87500000000000 190.230 > 133 136 Os 0.50000000000000 0.74761864799414 0.87500000000000 190.230 > 133 137 Os 0.00000000000000 0.00238135200586 0.12500000000000 190.230 > 129 138 Os 0.00000000000000 0.50238135200586 0.12500000000000 190.230 > 129 139 Os 0.00000000000000 0.00238135200586 0.62500000000000 190.230 > 129 140 Os 0.00000000000000 0.50238135200586 0.62500000000000 190.230 > 129 141 Os 0.00000000000000 0.49761864799414 0.37500000000000 190.230 > 133 142 Os 0.00000000000000 0.99761864799414 0.37500000000000 190.230 > 133 143 Os 0.00000000000000 0.49761864799414 0.87500000000000 190.230 > 133 144 Os 0.00000000000000 0.99761864799414 0.87500000000000 190.230 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0930268 0.0000000 -0.0781363 0.0000000 8.0697104 0.0000000 -0.0781956 0.0000000 12.7632829 -------------------------- Born effective charges -------------------------- 1 Br -1.3436117 -0.9323141 0.0628313 -1.0305204 -1.5727737 -0.0995395 0.1661811 0.2132302 -1.1470787 2 Br -1.4727254 1.0064774 0.0260814 0.9848854 -1.4731428 0.0315744 -0.1183668 0.1925418 -1.1170681 3 Br -1.4727254 -1.0064774 0.0260814 -0.9848854 -1.4731428 -0.0315744 -0.1183668 -0.1925418 -1.1170681 4 Br -1.4727254 1.0064774 0.0260814 0.9848854 -1.4731428 0.0315744 -0.1183668 0.1925418 -1.1170681 5 Br -1.4727254 -1.0064774 0.0260814 -0.9848854 -1.4731428 -0.0315744 -0.1183668 -0.1925418 -1.1170681 6 Br -1.3436117 -0.9323141 0.0628313 -1.0305204 -1.5727737 -0.0995395 0.1661811 0.2132302 -1.1470787 7 Br -1.3436117 0.9323141 0.0628313 1.0305204 -1.5727737 0.0995395 0.1661811 -0.2132302 -1.1470787 8 Br -1.3436117 0.9323141 0.0628313 1.0305204 -1.5727737 0.0995395 0.1661811 -0.2132302 -1.1470787 9 Y 2.6038726 0.8271606 -0.0566693 0.6307699 2.2827945 -0.3672408 -0.0407867 -0.0708275 3.0606866 10 Y 2.6038726 -0.8271606 -0.0566693 -0.6307699 2.2827945 0.3672408 -0.0407867 0.0708275 3.0606866 11 Y 1.7821550 -0.6852211 0.0365895 -0.8020206 2.3629553 -0.5126689 0.2078378 -0.0614403 3.0672178 12 Y 1.7821550 0.6852211 0.0365895 0.8020206 2.3629553 0.5126689 0.2078378 0.0614403 3.0672178 13 Y 1.7821550 -0.6852211 0.0365895 -0.8020206 2.3629553 -0.5126689 0.2078378 -0.0614403 3.0672178 14 Y 2.6038726 -0.8271606 -0.0566693 -0.6307699 2.2827945 0.3672408 -0.0407867 0.0708275 3.0606866 15 Y 2.6038726 0.8271606 -0.0566693 0.6307699 2.2827945 -0.3672408 -0.0407867 -0.0708275 3.0606866 16 Y 1.7821550 0.6852211 0.0365895 0.8020206 2.3629553 0.5126689 0.2078378 0.0614403 3.0672178 17 Os -3.1393812 0.0000000 -0.1376658 -0.0000000 -3.1996666 0.0000000 -0.4297307 0.0000000 -7.7275154 18 Os -3.1393812 0.0000000 -0.1376658 -0.0000000 -3.1996666 0.0000000 -0.4297307 0.0000000 -7.7275154 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 129, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:32:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:32:42]------------------------- Compiled with OpenMP support (max 48 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 6.250901780137859 -6.163172760000000 0.000000000000000 b 6.250901780137859 6.163172760000000 0.000000000000000 c -0.086196002272102 0.000000000000000 6.465121802608311 Atomic positions (fractional): 1 Br 0.81438301606480 0.42186772000488 0.59352261127981 79.904 2 Br 0.41610019816760 0.19098912946968 0.40463797225671 79.904 3 Br 0.80901087053032 0.58389980183240 0.09536202774329 79.904 4 Br 0.58389980183240 0.80901087053032 0.59536202774329 79.904 5 Br 0.19098912946968 0.41610019816760 0.90463797225671 79.904 6 Br 0.18561698393520 0.57813227999512 0.40647738872019 79.904 7 Br 0.42186772000488 0.81438301606480 0.09352261127981 79.904 8 Br 0.57813227999512 0.18561698393520 0.90647738872019 79.904 9 Y 0.89988011179942 0.25291877331636 0.99018668324278 88.906 10 Y 0.25291877331636 0.89988011179942 0.49018668324278 88.906 11 Y 0.74854124992837 0.90223739228811 0.99161793676540 88.906 12 Y 0.90223739228811 0.74854124992837 0.49161793676540 88.906 13 Y 0.25145875007163 0.09776260771189 0.00838206323460 88.906 14 Y 0.74708122668364 0.10011988820058 0.50981331675722 88.906 15 Y 0.10011988820058 0.74708122668364 0.00981331675722 88.906 16 Y 0.09776260771189 0.25145875007163 0.50838206323460 88.906 17 Os 0.99523729598827 0.00476270401173 0.25000000000000 190.230 18 Os 0.00476270401173 0.99523729598827 0.75000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.501803560275718 0.000000000000000 0.000000000000000 b 0.000000000000000 24.652691040000001 0.000000000000000 c -0.172392004544204 0.000000000000000 12.930243605216623 Atomic positions (fractional): 1 Br 0.61812536803484 0.40187117598502 0.29676130563991 79.904 > 1 2 Br 0.61812536803484 0.90187117598502 0.29676130563991 79.904 > 1 3 Br 0.61812536803484 0.40187117598502 0.79676130563991 79.904 > 1 4 Br 0.61812536803484 0.90187117598502 0.79676130563991 79.904 > 1 5 Br 0.30354466381864 0.44372223282552 0.20231898612836 79.904 > 5 6 Br 0.30354466381864 0.94372223282552 0.20231898612836 79.904 > 5 7 Br 0.30354466381864 0.44372223282552 0.70231898612836 79.904 > 5 8 Br 0.30354466381864 0.94372223282552 0.70231898612836 79.904 > 5 9 Br 0.69645533618136 0.44372223282552 0.04768101387164 79.904 > 9 10 Br 0.69645533618136 0.94372223282552 0.04768101387164 79.904 > 9 11 Br 0.69645533618136 0.44372223282552 0.54768101387164 79.904 > 9 12 Br 0.69645533618136 0.94372223282552 0.54768101387164 79.904 > 9 13 Br 0.69645533618136 0.05627776717448 0.29768101387164 79.904 > 13 14 Br 0.69645533618136 0.55627776717448 0.29768101387164 79.904 > 13 15 Br 0.69645533618136 0.05627776717448 0.79768101387164 79.904 > 13 16 Br 0.69645533618136 0.55627776717448 0.79768101387164 79.904 > 13 17 Br 0.30354466381864 0.05627776717448 0.45231898612836 79.904 > 17 18 Br 0.30354466381864 0.55627776717448 0.45231898612836 79.904 > 17 19 Br 0.30354466381864 0.05627776717448 0.95231898612836 79.904 > 17 20 Br 0.30354466381864 0.55627776717448 0.95231898612836 79.904 > 17 21 Br 0.38187463196516 0.09812882401498 0.20323869436009 79.904 > 21 22 Br 0.38187463196516 0.59812882401498 0.20323869436009 79.904 > 21 23 Br 0.38187463196516 0.09812882401498 0.70323869436009 79.904 > 21 24 Br 0.38187463196516 0.59812882401498 0.70323869436009 79.904 > 21 25 Br 0.61812536803484 0.09812882401498 0.04676130563991 79.904 > 25 26 Br 0.61812536803484 0.59812882401498 0.04676130563991 79.904 > 25 27 Br 0.61812536803484 0.09812882401498 0.54676130563991 79.904 > 25 28 Br 0.61812536803484 0.59812882401498 0.54676130563991 79.904 > 25 29 Br 0.38187463196516 0.40187117598502 0.45323869436009 79.904 > 29 30 Br 0.38187463196516 0.90187117598502 0.45323869436009 79.904 > 29 31 Br 0.38187463196516 0.40187117598502 0.95323869436009 79.904 > 29 32 Br 0.38187463196516 0.90187117598502 0.95323869436009 79.904 > 29 33 Br 0.11812536803484 0.15187117598502 0.29676130563991 79.904 > 1 34 Br 0.11812536803484 0.65187117598502 0.29676130563991 79.904 > 1 35 Br 0.11812536803484 0.15187117598502 0.79676130563991 79.904 > 1 36 Br 0.11812536803484 0.65187117598502 0.79676130563991 79.904 > 1 37 Br 0.80354466381864 0.19372223282552 0.20231898612836 79.904 > 5 38 Br 0.80354466381864 0.69372223282552 0.20231898612836 79.904 > 5 39 Br 0.80354466381864 0.19372223282552 0.70231898612836 79.904 > 5 40 Br 0.80354466381864 0.69372223282552 0.70231898612836 79.904 > 5 41 Br 0.19645533618136 0.19372223282552 0.04768101387164 79.904 > 9 42 Br 0.19645533618136 0.69372223282552 0.04768101387164 79.904 > 9 43 Br 0.19645533618136 0.19372223282552 0.54768101387164 79.904 > 9 44 Br 0.19645533618136 0.69372223282552 0.54768101387164 79.904 > 9 45 Br 0.19645533618136 0.30627776717448 0.29768101387164 79.904 > 13 46 Br 0.19645533618136 0.80627776717448 0.29768101387164 79.904 > 13 47 Br 0.19645533618136 0.30627776717448 0.79768101387164 79.904 > 13 48 Br 0.19645533618136 0.80627776717448 0.79768101387164 79.904 > 13 49 Br 0.80354466381864 0.30627776717448 0.45231898612836 79.904 > 17 50 Br 0.80354466381864 0.80627776717448 0.45231898612836 79.904 > 17 51 Br 0.80354466381864 0.30627776717448 0.95231898612836 79.904 > 17 52 Br 0.80354466381864 0.80627776717448 0.95231898612836 79.904 > 17 53 Br 0.88187463196516 0.34812882401498 0.20323869436009 79.904 > 21 54 Br 0.88187463196516 0.84812882401498 0.20323869436009 79.904 > 21 55 Br 0.88187463196516 0.34812882401498 0.70323869436009 79.904 > 21 56 Br 0.88187463196516 0.84812882401498 0.70323869436009 79.904 > 21 57 Br 0.11812536803484 0.34812882401498 0.04676130563991 79.904 > 25 58 Br 0.11812536803484 0.84812882401498 0.04676130563991 79.904 > 25 59 Br 0.11812536803484 0.34812882401498 0.54676130563991 79.904 > 25 60 Br 0.11812536803484 0.84812882401498 0.54676130563991 79.904 > 25 61 Br 0.88187463196516 0.15187117598502 0.45323869436009 79.904 > 29 62 Br 0.88187463196516 0.65187117598502 0.45323869436009 79.904 > 29 63 Br 0.88187463196516 0.15187117598502 0.95323869436009 79.904 > 29 64 Br 0.88187463196516 0.65187117598502 0.95323869436009 79.904 > 29 65 Y 0.57639944255789 0.33825966537924 0.49509334162139 88.906 > 65 66 Y 0.57639944255789 0.83825966537924 0.49509334162139 88.906 > 65 67 Y 0.57639944255789 0.33825966537924 0.99509334162139 88.906 > 65 68 Y 0.57639944255789 0.83825966537924 0.99509334162139 88.906 > 65 69 Y 0.57639944255789 0.16174033462077 0.24509334162139 88.906 > 69 70 Y 0.57639944255789 0.66174033462076 0.24509334162139 88.906 > 69 71 Y 0.57639944255789 0.16174033462077 0.74509334162139 88.906 > 69 72 Y 0.57639944255789 0.66174033462076 0.74509334162139 88.906 > 69 73 Y 0.82538932110824 0.03842403558993 0.49580896838270 88.906 > 73 74 Y 0.82538932110824 0.53842403558994 0.49580896838270 88.906 > 73 75 Y 0.82538932110824 0.03842403558993 0.99580896838270 88.906 > 73 76 Y 0.82538932110824 0.53842403558994 0.99580896838270 88.906 > 73 77 Y 0.82538932110824 0.46157596441006 0.24580896838270 88.906 > 77 78 Y 0.82538932110824 0.96157596441006 0.24580896838270 88.906 > 77 79 Y 0.82538932110824 0.46157596441006 0.74580896838270 88.906 > 77 80 Y 0.82538932110824 0.96157596441006 0.74580896838270 88.906 > 77 81 Y 0.17461067889176 0.46157596441006 0.00419103161730 88.906 > 81 82 Y 0.17461067889176 0.96157596441006 0.00419103161730 88.906 > 81 83 Y 0.17461067889176 0.46157596441006 0.50419103161730 88.906 > 81 84 Y 0.17461067889176 0.96157596441006 0.50419103161730 88.906 > 81 85 Y 0.42360055744211 0.33825966537924 0.25490665837861 88.906 > 85 86 Y 0.42360055744211 0.83825966537924 0.25490665837861 88.906 > 85 87 Y 0.42360055744211 0.33825966537924 0.75490665837861 88.906 > 85 88 Y 0.42360055744211 0.83825966537924 0.75490665837861 88.906 > 85 89 Y 0.42360055744211 0.16174033462077 0.00490665837861 88.906 > 89 90 Y 0.42360055744211 0.66174033462076 0.00490665837861 88.906 > 89 91 Y 0.42360055744211 0.16174033462077 0.50490665837861 88.906 > 89 92 Y 0.42360055744211 0.66174033462076 0.50490665837861 88.906 > 89 93 Y 0.17461067889176 0.03842403558993 0.25419103161730 88.906 > 93 94 Y 0.17461067889176 0.53842403558994 0.25419103161730 88.906 > 93 95 Y 0.17461067889176 0.03842403558993 0.75419103161730 88.906 > 93 96 Y 0.17461067889176 0.53842403558994 0.75419103161730 88.906 > 93 97 Y 0.07639944255789 0.08825966537924 0.49509334162139 88.906 > 65 98 Y 0.07639944255789 0.58825966537924 0.49509334162139 88.906 > 65 99 Y 0.07639944255789 0.08825966537924 0.99509334162139 88.906 > 65 100 Y 0.07639944255789 0.58825966537924 0.99509334162139 88.906 > 65 101 Y 0.07639944255789 0.41174033462076 0.24509334162139 88.906 > 69 102 Y 0.07639944255789 0.91174033462076 0.24509334162139 88.906 > 69 103 Y 0.07639944255789 0.41174033462076 0.74509334162139 88.906 > 69 104 Y 0.07639944255789 0.91174033462076 0.74509334162139 88.906 > 69 105 Y 0.32538932110824 0.28842403558994 0.49580896838270 88.906 > 73 106 Y 0.32538932110824 0.78842403558994 0.49580896838270 88.906 > 73 107 Y 0.32538932110824 0.28842403558994 0.99580896838270 88.906 > 73 108 Y 0.32538932110824 0.78842403558994 0.99580896838270 88.906 > 73 109 Y 0.32538932110824 0.21157596441006 0.24580896838270 88.906 > 77 110 Y 0.32538932110824 0.71157596441006 0.24580896838270 88.906 > 77 111 Y 0.32538932110824 0.21157596441006 0.74580896838270 88.906 > 77 112 Y 0.32538932110824 0.71157596441006 0.74580896838270 88.906 > 77 113 Y 0.67461067889176 0.21157596441006 0.00419103161730 88.906 > 81 114 Y 0.67461067889176 0.71157596441006 0.00419103161730 88.906 > 81 115 Y 0.67461067889176 0.21157596441006 0.50419103161730 88.906 > 81 116 Y 0.67461067889176 0.71157596441006 0.50419103161730 88.906 > 81 117 Y 0.92360055744211 0.08825966537924 0.25490665837861 88.906 > 85 118 Y 0.92360055744211 0.58825966537924 0.25490665837861 88.906 > 85 119 Y 0.92360055744211 0.08825966537924 0.75490665837861 88.906 > 85 120 Y 0.92360055744211 0.58825966537924 0.75490665837861 88.906 > 85 121 Y 0.92360055744211 0.41174033462076 0.00490665837861 88.906 > 89 122 Y 0.92360055744211 0.91174033462076 0.00490665837861 88.906 > 89 123 Y 0.92360055744211 0.41174033462076 0.50490665837861 88.906 > 89 124 Y 0.92360055744211 0.91174033462076 0.50490665837861 88.906 > 89 125 Y 0.67461067889176 0.28842403558994 0.25419103161730 88.906 > 93 126 Y 0.67461067889176 0.78842403558994 0.25419103161730 88.906 > 93 127 Y 0.67461067889176 0.28842403558994 0.75419103161730 88.906 > 93 128 Y 0.67461067889176 0.78842403558994 0.75419103161730 88.906 > 93 129 Os 0.50000000000000 0.25238135200586 0.12500000000000 190.230 > 129 130 Os 0.50000000000000 0.75238135200586 0.12500000000000 190.230 > 129 131 Os 0.50000000000000 0.25238135200586 0.62500000000000 190.230 > 129 132 Os 0.50000000000000 0.75238135200586 0.62500000000000 190.230 > 129 133 Os 0.50000000000000 0.24761864799414 0.37500000000000 190.230 > 133 134 Os 0.50000000000000 0.74761864799414 0.37500000000000 190.230 > 133 135 Os 0.50000000000000 0.24761864799414 0.87500000000000 190.230 > 133 136 Os 0.50000000000000 0.74761864799414 0.87500000000000 190.230 > 133 137 Os 0.00000000000000 0.00238135200586 0.12500000000000 190.230 > 129 138 Os 0.00000000000000 0.50238135200586 0.12500000000000 190.230 > 129 139 Os 0.00000000000000 0.00238135200586 0.62500000000000 190.230 > 129 140 Os 0.00000000000000 0.50238135200586 0.62500000000000 190.230 > 129 141 Os 0.00000000000000 0.49761864799414 0.37500000000000 190.230 > 133 142 Os 0.00000000000000 0.99761864799414 0.37500000000000 190.230 > 133 143 Os 0.00000000000000 0.49761864799414 0.87500000000000 190.230 > 133 144 Os 0.00000000000000 0.99761864799414 0.87500000000000 190.230 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.0930268 0.0000000 -0.0781363 0.0000000 8.0697104 0.0000000 -0.0781956 0.0000000 12.7632829 -------------------------- Born effective charges -------------------------- 1 Br -1.3436117 -0.9323141 0.0628313 -1.0305204 -1.5727737 -0.0995395 0.1661811 0.2132302 -1.1470787 2 Br -1.4727254 1.0064774 0.0260814 0.9848854 -1.4731428 0.0315744 -0.1183668 0.1925418 -1.1170681 3 Br -1.4727254 -1.0064774 0.0260814 -0.9848854 -1.4731428 -0.0315744 -0.1183668 -0.1925418 -1.1170681 4 Br -1.4727254 1.0064774 0.0260814 0.9848854 -1.4731428 0.0315744 -0.1183668 0.1925418 -1.1170681 5 Br -1.4727254 -1.0064774 0.0260814 -0.9848854 -1.4731428 -0.0315744 -0.1183668 -0.1925418 -1.1170681 6 Br -1.3436117 -0.9323141 0.0628313 -1.0305204 -1.5727737 -0.0995395 0.1661811 0.2132302 -1.1470787 7 Br -1.3436117 0.9323141 0.0628313 1.0305204 -1.5727737 0.0995395 0.1661811 -0.2132302 -1.1470787 8 Br -1.3436117 0.9323141 0.0628313 1.0305204 -1.5727737 0.0995395 0.1661811 -0.2132302 -1.1470787 9 Y 2.6038726 0.8271606 -0.0566693 0.6307699 2.2827945 -0.3672408 -0.0407867 -0.0708275 3.0606866 10 Y 2.6038726 -0.8271606 -0.0566693 -0.6307699 2.2827945 0.3672408 -0.0407867 0.0708275 3.0606866 11 Y 1.7821550 -0.6852211 0.0365895 -0.8020206 2.3629553 -0.5126689 0.2078378 -0.0614403 3.0672178 12 Y 1.7821550 0.6852211 0.0365895 0.8020206 2.3629553 0.5126689 0.2078378 0.0614403 3.0672178 13 Y 1.7821550 -0.6852211 0.0365895 -0.8020206 2.3629553 -0.5126689 0.2078378 -0.0614403 3.0672178 14 Y 2.6038726 -0.8271606 -0.0566693 -0.6307699 2.2827945 0.3672408 -0.0407867 0.0708275 3.0606866 15 Y 2.6038726 0.8271606 -0.0566693 0.6307699 2.2827945 -0.3672408 -0.0407867 -0.0708275 3.0606866 16 Y 1.7821550 0.6852211 0.0365895 0.8020206 2.3629553 0.5126689 0.2078378 0.0614403 3.0672178 17 Os -3.1393812 0.0000000 -0.1376658 -0.0000000 -3.1996666 0.0000000 -0.4297307 0.0000000 -7.7275154 18 Os -3.1393812 0.0000000 -0.1376658 -0.0000000 -3.1996666 0.0000000 -0.4297307 0.0000000 -7.7275154 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 6 6 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 307, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/89) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 89 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 1.435 ( 0.000 0.000 0.000) 0.000 1.693 ( 0.000 0.000 0.000) 0.000 1.952 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.280 ( 0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.807 ( 0.000 0.000 0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 2.961 ( 0.000 0.000 0.000) 0.000 3.289 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 3.995 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.285 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.353 ( 0.000 0.000 0.000) 0.000 4.371 ( 0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.827 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 5.011 ( 0.000 0.000 0.000) 0.000 5.377 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.642 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/89) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.127 ( 8.737 -2.247 5.939) 10.800 0.347 ( 13.464 -11.736 1.834) 17.955 0.669 ( 24.450 -22.763 -1.331) 33.432 1.403 ( -2.819 2.243 0.692) 3.668 1.698 ( 1.253 1.351 -0.228) 1.857 1.947 ( -1.037 -0.278 0.067) 1.075 1.987 ( -0.126 -0.264 -0.870) 0.918 2.053 ( 0.635 -3.932 -2.665) 4.792 2.257 ( -0.391 2.442 0.926) 2.641 2.301 ( -6.694 2.913 0.451) 7.314 2.385 ( -1.411 0.816 1.569) 2.262 2.428 ( 2.581 -1.702 1.664) 3.512 2.603 ( 2.597 3.706 -0.843) 4.603 2.734 ( 0.595 3.355 0.832) 3.507 2.790 ( 0.525 -4.581 -0.119) 4.613 2.924 ( -2.727 -0.269 0.742) 2.839 3.035 ( 2.478 -3.457 -0.586) 4.294 3.285 ( 3.013 1.720 0.029) 3.470 3.337 ( -2.084 2.430 1.345) 3.472 3.378 ( -1.479 -1.611 0.723) 2.303 3.415 ( 1.191 -0.477 0.516) 1.383 3.434 ( 2.126 -3.083 -0.108) 3.747 3.499 ( -0.737 -1.230 -0.569) 1.543 3.594 ( 0.840 0.341 -1.931) 2.133 3.605 ( 0.407 0.589 -0.942) 1.183 3.661 ( -1.419 1.314 -0.141) 1.939 3.823 ( -1.576 1.653 0.335) 2.308 3.834 ( 0.199 -0.138 -0.318) 0.400 3.880 ( -0.040 -0.017 0.332) 0.335 3.905 ( -0.431 0.460 -0.496) 0.802 4.005 ( 0.850 -0.342 -0.225) 0.943 4.110 ( -7.987 2.073 1.148) 8.331 4.144 ( 4.463 1.727 1.015) 4.892 4.262 ( 0.674 -0.247 -0.954) 1.194 4.265 ( -1.681 1.238 1.008) 2.319 4.326 ( -0.697 0.800 1.092) 1.522 4.341 ( 0.451 -0.747 0.895) 1.251 4.444 ( 0.632 -1.562 -0.039) 1.685 4.511 ( 1.414 -0.384 1.231) 1.914 4.584 ( -0.325 0.091 -2.652) 2.674 4.625 ( 0.728 0.495 -1.842) 2.042 4.828 ( 0.233 -0.049 0.362) 0.433 4.868 ( 0.476 -0.467 0.017) 0.667 4.940 ( 5.267 3.136 0.552) 6.155 5.124 ( 0.369 -0.052 0.209) 0.428 5.430 ( -2.070 -1.944 0.117) 2.842 5.560 ( -3.500 5.001 2.622) 6.643 5.627 ( -0.547 4.268 -0.742) 4.367 5.694 ( -2.943 -1.162 -0.781) 3.259 5.783 ( -1.244 2.499 0.532) 2.842 5.842 ( 4.363 -2.667 -0.521) 5.141 5.973 ( -3.016 -2.286 0.370) 3.803 6.089 ( -2.021 -5.768 0.906) 6.179 6.553 ( 1.812 -1.796 0.265) 2.565 ======================= Grid point 2 (3/89) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.281 ( 6.919 -3.622 2.489) 8.197 0.658 ( 10.430 -9.214 0.870) 13.944 1.215 ( 15.120 -16.120 -1.905) 22.184 1.308 ( -3.053 4.422 1.311) 5.531 1.660 ( -2.111 4.015 0.357) 4.550 1.939 ( 0.080 -0.156 -0.566) 0.593 1.991 ( -0.403 -0.333 -0.422) 0.672 2.094 ( -2.768 -2.723 -1.318) 4.100 2.178 ( -3.295 -0.371 -0.908) 3.438 2.251 ( 2.268 2.472 1.214) 3.567 2.386 ( 1.075 -0.463 1.588) 1.973 2.491 ( 2.622 -1.750 2.621) 4.100 2.567 ( 0.518 2.900 -1.575) 3.341 2.720 ( -0.865 -0.001 0.312) 0.920 2.876 ( 4.566 4.518 0.705) 6.462 2.903 ( -2.112 -8.699 0.670) 8.977 3.067 ( 0.095 -0.719 -2.359) 2.468 3.247 ( -3.580 4.965 3.172) 6.894 3.323 ( 2.346 -0.388 0.226) 2.389 3.369 ( -2.703 -0.247 -0.157) 2.719 3.408 ( -1.299 2.382 0.082) 2.714 3.484 ( -1.966 0.758 -0.193) 2.116 3.500 ( 1.777 -0.390 1.055) 2.103 3.575 ( -0.007 -1.047 -2.786) 2.977 3.613 ( 0.468 0.744 -1.599) 1.825 3.628 ( -0.671 0.731 1.237) 1.586 3.776 ( -0.803 1.364 -0.030) 1.583 3.862 ( 1.485 -1.462 -0.193) 2.093 3.881 ( -0.065 -0.142 -0.329) 0.364 3.896 ( 0.017 0.004 0.382) 0.382 4.003 ( -2.154 1.885 0.195) 2.869 4.021 ( 0.564 0.028 -0.125) 0.579 4.200 ( -0.338 -1.794 0.143) 1.832 4.219 ( 0.670 1.965 1.147) 2.372 4.278 ( 0.971 -0.087 -1.095) 1.466 4.310 ( -0.385 -0.619 -0.353) 0.810 4.367 ( 0.574 -0.968 1.545) 1.911 4.441 ( -0.645 -1.213 -0.045) 1.374 4.548 ( 0.781 -0.820 0.545) 1.256 4.570 ( -1.530 -0.225 -0.319) 1.579 4.617 ( 1.217 2.655 -1.724) 3.391 4.834 ( 0.194 -0.280 0.117) 0.360 4.890 ( 1.558 -0.722 -0.044) 1.717 4.967 ( 1.271 -0.216 0.129) 1.296 5.126 ( 0.033 0.098 -0.269) 0.288 5.392 ( -2.736 2.629 0.310) 3.807 5.492 ( -0.212 0.823 1.548) 1.766 5.548 ( -2.509 3.333 -0.151) 4.175 5.670 ( -1.155 0.793 -0.118) 1.406 5.738 ( -1.051 1.107 0.376) 1.572 5.916 ( 2.557 -1.197 -0.468) 2.862 5.977 ( -1.116 -2.080 0.392) 2.393 6.130 ( 0.029 -1.891 0.065) 1.893 6.604 ( 1.679 -1.618 0.258) 2.346 ======================= Grid point 3 (4/89) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 0.000 -0.000 -0.000) 0.000 0.809 ( 0.000 -0.000 -0.000) 0.000 1.242 ( 0.000 -0.000 -0.000) 0.000 1.442 ( 0.000 -0.000 -0.000) 0.000 1.594 ( -0.000 -0.000 0.000) 0.000 1.951 ( -0.000 -0.000 0.000) 0.000 1.980 ( 0.000 -0.000 0.000) 0.000 2.091 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 -0.000 -0.000) 0.000 2.251 ( 0.000 -0.000 -0.000) 0.000 2.403 ( 0.000 -0.000 0.000) 0.000 2.530 ( 0.000 0.000 -0.000) 0.000 2.545 ( 0.000 -0.000 0.000) 0.000 2.710 ( -0.000 -0.000 -0.000) 0.000 2.859 ( 0.000 -0.000 -0.000) 0.000 2.988 ( 0.000 0.000 -0.000) 0.000 3.115 ( -0.000 0.000 0.000) 0.000 3.122 ( 0.000 -0.000 -0.000) 0.000 3.310 ( 0.000 -0.000 -0.000) 0.000 3.346 ( 0.000 -0.000 -0.000) 0.000 3.379 ( 0.000 -0.000 0.000) 0.000 3.463 ( 0.000 -0.000 -0.000) 0.000 3.513 ( 0.000 -0.000 0.000) 0.000 3.604 ( 0.000 -0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 -0.000 -0.000) 0.000 3.763 ( 0.000 -0.000 0.000) 0.000 3.881 ( 0.000 -0.000 -0.000) 0.000 3.885 ( 0.000 -0.000 0.000) 0.000 3.904 ( 0.000 -0.000 0.000) 0.000 3.977 ( 0.000 -0.000 0.000) 0.000 4.025 ( 0.000 -0.000 0.000) 0.000 4.178 ( 0.000 -0.000 -0.000) 0.000 4.235 ( 0.000 -0.000 0.000) 0.000 4.285 ( 0.000 -0.000 0.000) 0.000 4.327 ( 0.000 -0.000 -0.000) 0.000 4.361 ( -0.000 0.000 -0.000) 0.000 4.503 ( -0.000 0.000 -0.000) 0.000 4.504 ( 0.000 -0.000 0.000) 0.000 4.572 ( 0.000 -0.000 -0.000) 0.000 4.602 ( 0.000 -0.000 0.000) 0.000 4.837 ( 0.000 -0.000 0.000) 0.000 4.913 ( 0.000 -0.000 -0.000) 0.000 4.974 ( 0.000 -0.000 0.000) 0.000 5.125 ( 0.000 -0.000 -0.000) 0.000 5.348 ( 0.000 -0.000 -0.000) 0.000 5.491 ( -0.000 -0.000 -0.000) 0.000 5.501 ( 0.000 -0.000 0.000) 0.000 5.654 ( 0.000 -0.000 -0.000) 0.000 5.725 ( 0.000 -0.000 -0.000) 0.000 5.940 ( 0.000 -0.000 0.000) 0.000 5.987 ( 0.000 -0.000 0.000) 0.000 6.142 ( 0.000 -0.000 -0.000) 0.000 6.628 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 8 (5/89) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 17.603 -0.000 8.495) 19.546 0.653 ( 22.559 -0.000 -0.134) 22.559 0.747 ( 26.043 -0.000 -4.023) 26.352 1.380 ( -3.043 0.000 1.963) 3.622 1.730 ( 1.154 -0.000 -1.191) 1.658 1.938 ( -0.228 0.000 -0.660) 0.698 1.983 ( 0.253 -0.000 -1.566) 1.587 2.032 ( -0.388 0.000 -3.102) 3.126 2.182 ( -10.204 0.000 1.249) 10.280 2.287 ( 0.682 -0.000 1.230) 1.407 2.381 ( 0.325 -0.000 1.119) 1.166 2.469 ( 4.694 -0.000 3.230) 5.698 2.684 ( -4.681 0.000 2.211) 5.177 2.704 ( 2.762 -0.000 -1.077) 2.965 2.733 ( -1.619 0.000 -0.131) 1.624 2.916 ( 1.057 -0.000 -1.451) 1.795 3.094 ( 4.742 -0.000 2.470) 5.347 3.322 ( -1.513 0.000 -0.524) 1.601 3.325 ( -2.011 0.000 0.932) 2.216 3.374 ( 4.215 -0.000 2.290) 4.797 3.423 ( 2.074 -0.000 -0.802) 2.223 3.454 ( 1.906 -0.000 1.693) 2.550 3.478 ( -0.687 0.000 -0.709) 0.987 3.573 ( -3.677 0.000 -2.506) 4.450 3.625 ( 2.507 -0.000 -2.657) 3.653 3.632 ( -3.289 0.000 0.491) 3.326 3.808 ( -3.069 0.000 -0.613) 3.130 3.834 ( 1.203 -0.000 -0.551) 1.323 3.879 ( -0.045 0.000 0.832) 0.833 3.897 ( -1.087 0.000 -0.106) 1.092 4.022 ( 1.692 -0.000 -0.381) 1.734 4.054 ( -1.327 0.000 -1.240) 1.816 4.169 ( -4.853 0.000 3.166) 5.795 4.253 ( -1.610 0.000 2.449) 2.931 4.272 ( 1.156 -0.000 -0.642) 1.322 4.318 ( -0.100 0.000 0.402) 0.415 4.372 ( -1.180 0.000 -0.836) 1.446 4.407 ( 2.228 -0.000 -1.033) 2.455 4.492 ( -1.636 0.000 0.972) 1.903 4.565 ( -2.041 0.000 -2.710) 3.393 4.630 ( 0.864 -0.000 -0.235) 0.896 4.831 ( 0.441 -0.000 0.775) 0.891 4.870 ( 0.534 -0.000 -0.158) 0.557 5.057 ( 2.914 -0.000 -0.519) 2.960 5.143 ( 0.859 -0.000 2.408) 2.557 5.409 ( 2.303 -0.000 -0.473) 2.351 5.540 ( -5.202 0.000 3.196) 6.105 5.575 ( -5.966 0.000 0.253) 5.971 5.679 ( -1.733 0.000 -1.025) 2.013 5.788 ( -1.501 0.000 0.592) 1.614 5.862 ( 2.841 -0.000 1.130) 3.057 5.983 ( 2.546 -0.000 -0.425) 2.581 6.017 ( 1.459 -0.000 -0.713) 1.624 6.583 ( 3.983 -0.000 0.375) 4.001 ======================= Grid point 9 (6/89) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 18.267 8.328 10.484) 22.649 0.814 ( 20.566 6.339 -5.844) 22.300 1.156 ( 5.321 -7.341 -2.805) 9.490 1.371 ( 6.425 -2.526 4.768) 8.390 1.691 ( -2.398 4.774 -2.866) 6.063 1.946 ( 1.339 -0.415 -1.002) 1.723 1.976 ( -4.560 -0.376 -0.637) 4.619 2.013 ( -1.369 -2.725 -1.143) 3.257 2.117 ( -1.353 -2.286 -0.792) 2.772 2.298 ( 1.493 0.712 1.357) 2.139 2.398 ( 1.369 -0.457 0.381) 1.493 2.519 ( 3.157 1.135 4.674) 5.753 2.610 ( -2.958 1.660 -0.024) 3.392 2.718 ( 1.947 0.463 -0.429) 2.047 2.753 ( -2.853 -3.332 0.256) 4.394 2.964 ( 4.514 -2.338 -1.549) 5.314 3.115 ( 1.466 1.916 2.184) 3.255 3.250 ( -4.521 4.009 1.705) 6.279 3.308 ( -2.373 -0.890 0.418) 2.569 3.392 ( 3.046 3.873 -0.009) 4.927 3.440 ( 0.318 2.908 1.075) 3.117 3.470 ( -1.141 0.391 0.419) 1.277 3.508 ( 2.264 -2.501 0.936) 3.501 3.533 ( -2.084 -2.516 -3.310) 4.651 3.593 ( -3.075 -0.858 0.910) 3.319 3.645 ( 1.064 0.944 -2.055) 2.499 3.761 ( -2.687 0.005 -1.040) 2.881 3.861 ( 0.935 -0.894 -4.498) 4.680 3.880 ( 0.351 -0.055 1.244) 1.293 3.888 ( -0.406 -0.548 3.251) 3.321 4.015 ( -0.463 2.754 -0.160) 2.798 4.040 ( 1.126 0.815 -0.870) 1.640 4.139 ( -3.258 -3.199 0.790) 4.634 4.237 ( -0.786 -0.649 3.270) 3.425 4.294 ( 1.499 -0.425 -2.754) 3.164 4.308 ( -0.460 1.693 0.730) 1.900 4.362 ( 0.888 -1.779 0.647) 2.091 4.426 ( -0.219 0.268 -1.491) 1.531 4.500 ( -1.461 -2.952 -1.600) 3.662 4.542 ( -1.723 -0.911 1.035) 2.207 4.628 ( -1.068 0.584 -0.521) 1.324 4.838 ( 0.626 0.119 0.722) 0.963 4.885 ( 0.613 -1.013 -0.227) 1.206 5.066 ( 3.756 4.230 0.350) 5.668 5.140 ( 0.452 1.017 0.943) 1.459 5.418 ( -0.572 3.352 0.299) 3.413 5.481 ( -0.432 -0.861 1.455) 1.745 5.510 ( -5.109 -0.359 0.655) 5.163 5.654 ( -2.359 -1.015 -0.257) 2.581 5.731 ( -1.832 3.222 0.329) 3.721 5.926 ( 1.673 -3.346 1.492) 4.028 5.981 ( 1.966 2.332 -0.892) 3.178 6.087 ( 0.670 -4.035 -0.879) 4.183 6.639 ( 4.043 0.497 0.303) 4.085 ======================= Grid point 10 (7/89) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 16.728 17.093 8.953) 25.537 0.932 ( 10.146 11.486 -6.894) 16.805 1.166 ( -3.431 -4.393 -1.587) 5.796 1.488 ( 1.473 2.472 10.405) 10.795 1.612 ( -0.084 1.778 -8.610) 8.792 1.933 ( -2.456 -1.619 0.206) 2.949 1.984 ( 1.417 -1.370 -1.123) 2.268 2.054 ( 0.129 -2.845 -0.300) 2.864 2.147 ( 0.296 -2.795 -1.234) 3.069 2.291 ( 0.695 3.097 1.309) 3.433 2.409 ( -0.076 1.018 -0.049) 1.022 2.504 ( -3.007 1.105 2.594) 4.122 2.575 ( 0.649 0.633 -0.784) 1.199 2.743 ( -1.493 0.129 -0.430) 1.559 2.748 ( 1.305 -1.112 0.278) 1.737 3.084 ( 5.006 -4.731 -0.957) 6.954 3.106 ( -4.855 2.639 1.509) 5.728 3.127 ( 2.058 2.869 1.067) 3.689 3.290 ( -0.231 -1.631 0.859) 1.858 3.372 ( 1.590 3.472 -0.672) 3.878 3.407 ( 1.105 2.307 1.486) 2.958 3.462 ( 0.135 -0.600 -0.139) 0.631 3.509 ( -1.301 -0.211 -2.468) 2.798 3.573 ( -2.446 -1.684 0.676) 3.046 3.590 ( 1.109 -1.907 0.287) 2.225 3.632 ( -0.368 1.268 -0.050) 1.321 3.746 ( -0.871 -1.018 -1.377) 1.921 3.870 ( -0.539 -0.925 -0.879) 1.385 3.880 ( -0.466 0.032 -0.567) 0.735 3.900 ( 0.098 0.002 1.667) 1.670 3.989 ( 0.350 0.790 0.899) 1.246 4.032 ( -0.237 0.904 -0.545) 1.082 4.150 ( -0.488 -2.526 -0.897) 2.725 4.234 ( -1.751 -0.379 2.866) 3.380 4.280 ( -0.586 0.430 -0.165) 0.745 4.321 ( 0.252 -0.691 -1.110) 1.331 4.379 ( 0.994 1.329 -0.823) 1.852 4.464 ( 0.560 -4.860 -0.874) 4.969 4.493 ( -1.314 0.531 -2.215) 2.630 4.547 ( -2.374 -2.070 3.306) 4.566 4.589 ( -1.261 1.324 -0.921) 2.047 4.843 ( 0.504 0.349 0.440) 0.755 4.899 ( -0.473 -0.232 -0.020) 0.527 5.057 ( 3.528 4.149 0.549) 5.474 5.137 ( 0.822 0.657 0.545) 1.185 5.376 ( 0.934 1.564 0.118) 1.825 5.461 ( -2.774 -1.442 0.297) 3.140 5.502 ( 1.508 0.448 0.666) 1.709 5.642 ( -1.305 -0.735 0.326) 1.532 5.686 ( -2.529 -1.647 -0.786) 3.119 5.959 ( 0.519 2.105 0.343) 2.195 5.993 ( 1.424 -1.753 0.380) 2.290 6.126 ( -0.149 -1.503 -0.756) 1.689 6.664 ( 2.372 2.371 0.064) 3.354 ======================= Grid point 11 (8/89) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 9.658 19.087 7.700) 22.736 0.779 ( 4.909 20.564 -7.057) 22.289 1.172 ( -8.628 6.891 -1.870) 11.199 1.350 ( -2.236 4.876 3.873) 6.617 1.635 ( 0.779 -2.761 -1.737) 3.353 1.950 ( 1.885 -0.806 -0.384) 2.086 1.999 ( -0.397 0.523 0.020) 0.657 2.109 ( 1.021 -5.898 -0.186) 5.989 2.187 ( 0.089 -2.113 0.009) 2.115 2.246 ( 0.953 4.726 0.912) 4.907 2.378 ( -1.060 0.192 -2.351) 2.586 2.449 ( -3.587 0.321 2.082) 4.160 2.581 ( 1.289 1.005 -0.436) 1.692 2.696 ( -3.623 1.301 -0.681) 3.909 2.787 ( 0.894 -2.106 0.120) 2.291 2.995 ( -1.780 4.309 0.423) 4.681 3.156 ( 5.210 2.303 3.346) 6.606 3.207 ( 1.556 -5.472 -3.195) 6.525 3.320 ( -0.989 3.995 -1.051) 4.248 3.381 ( 1.651 -5.384 0.503) 5.654 3.405 ( 1.762 1.020 1.542) 2.554 3.476 ( -0.954 -0.456 -2.303) 2.534 3.498 ( 1.050 -0.736 0.286) 1.314 3.555 ( -3.158 -0.599 1.098) 3.396 3.607 ( -0.724 -1.304 -0.874) 1.728 3.623 ( 1.289 0.720 1.162) 1.878 3.763 ( 0.714 -1.703 -0.789) 2.008 3.863 ( -1.094 1.061 -0.900) 1.770 3.877 ( -0.231 -0.319 0.677) 0.784 3.889 ( -0.444 -0.131 0.700) 0.840 4.005 ( 1.301 -1.275 0.291) 1.845 4.022 ( 0.047 0.164 -0.521) 0.548 4.170 ( -2.274 -1.464 -0.105) 2.707 4.227 ( 1.389 -0.913 1.565) 2.283 4.268 ( -0.748 0.101 -0.133) 0.767 4.321 ( 0.095 0.350 0.075) 0.370 4.372 ( -0.349 0.983 -2.342) 2.564 4.465 ( 0.073 1.216 -0.751) 1.431 4.509 ( -4.286 -0.657 1.174) 4.492 4.531 ( -0.542 -4.058 -0.017) 4.094 4.587 ( 0.574 -0.116 0.530) 0.790 4.839 ( -0.031 0.718 0.268) 0.767 4.885 ( -0.404 0.740 -0.001) 0.843 5.035 ( 1.903 5.024 0.211) 5.377 5.139 ( 0.865 0.935 0.607) 1.411 5.414 ( 3.774 -2.316 -0.682) 4.480 5.470 ( -0.839 -2.116 -0.044) 2.277 5.507 ( -0.670 -0.896 0.333) 1.167 5.661 ( 0.832 -3.044 0.222) 3.163 5.699 ( -1.550 -3.623 -0.660) 3.995 5.919 ( -1.119 2.877 0.293) 3.101 6.028 ( 2.212 0.323 0.163) 2.241 6.129 ( -0.936 -0.149 -0.452) 1.050 6.638 ( 0.549 3.980 -0.103) 4.019 ======================= Grid point 12 (9/89) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -0.000 17.288 -0.000) 17.288 0.622 ( -0.000 21.924 -0.000) 21.924 0.717 ( -0.000 26.389 -0.000) 26.389 1.387 ( 0.000 -3.429 0.000) 3.429 1.668 ( 0.000 -1.897 0.000) 1.897 1.969 ( -0.000 1.195 -0.000) 1.195 1.986 ( 0.000 -0.293 0.000) 0.293 2.125 ( -0.000 6.202 -0.000) 6.202 2.218 ( 0.000 -2.740 0.000) 2.740 2.276 ( 0.000 -7.758 0.000) 7.758 2.397 ( 0.000 -1.163 0.000) 1.163 2.407 ( -0.000 0.490 -0.000) 0.490 2.576 ( -0.000 1.153 -0.000) 1.153 2.660 ( 0.000 -2.292 0.000) 2.292 2.814 ( 0.000 -0.358 0.000) 0.358 2.943 ( -0.000 1.734 -0.000) 1.734 3.151 ( -0.000 9.279 -0.000) 9.279 3.228 ( 0.000 -2.200 0.000) 2.200 3.308 ( 0.000 -3.667 0.000) 3.667 3.406 ( -0.000 0.951 -0.000) 0.951 3.413 ( -0.000 0.194 -0.000) 0.194 3.467 ( -0.000 2.400 -0.000) 2.400 3.518 ( -0.000 0.462 -0.000) 0.462 3.551 ( 0.000 -3.634 0.000) 3.634 3.610 ( -0.000 2.229 -0.000) 2.229 3.637 ( 0.000 -3.002 0.000) 3.002 3.803 ( 0.000 -2.767 0.000) 2.767 3.837 ( -0.000 0.984 -0.000) 0.984 3.879 ( 0.000 -0.249 0.000) 0.249 3.897 ( 0.000 -0.927 0.000) 0.927 4.009 ( -0.000 0.735 -0.000) 0.735 4.056 ( 0.000 -2.979 0.000) 2.979 4.181 ( 0.000 -2.686 0.000) 2.686 4.260 ( -0.000 0.211 -0.000) 0.211 4.268 ( 0.000 -1.429 0.000) 1.429 4.322 ( 0.000 -0.295 0.000) 0.295 4.344 ( -0.000 1.653 -0.000) 1.653 4.430 ( -0.000 2.230 -0.000) 2.230 4.493 ( 0.000 -0.766 0.000) 0.766 4.577 ( 0.000 -3.567 0.000) 3.567 4.589 ( -0.000 0.385 -0.000) 0.385 4.829 ( -0.000 0.515 -0.000) 0.515 4.873 ( -0.000 0.653 -0.000) 0.653 4.969 ( -0.000 6.208 -0.000) 6.208 5.131 ( -0.000 0.937 -0.000) 0.937 5.462 ( -0.000 1.019 -0.000) 1.019 5.518 ( 0.000 -5.413 0.000) 5.413 5.536 ( 0.000 -5.752 0.000) 5.752 5.722 ( 0.000 -2.157 0.000) 2.157 5.736 ( 0.000 -4.338 0.000) 4.338 5.859 ( -0.000 4.161 -0.000) 4.161 6.036 ( -0.000 1.839 -0.000) 1.839 6.120 ( 0.000 -0.481 0.000) 0.481 6.584 ( -0.000 3.925 -0.000) 3.925 ======================= Grid point 15 (10/89) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 15.366 -0.000 6.588) 16.718 1.053 ( 3.746 -0.000 -1.906) 4.203 1.317 ( 15.317 -0.000 -4.589) 15.989 1.413 ( 8.626 -0.000 6.997) 11.107 1.702 ( -2.505 0.000 -4.954) 5.552 1.815 ( -12.063 0.000 0.186) 12.064 1.970 ( 2.870 -0.000 -1.151) 3.093 2.023 ( 2.447 -0.000 -0.525) 2.502 2.105 ( 0.943 -0.000 -1.001) 1.375 2.330 ( 2.488 -0.000 1.801) 3.071 2.414 ( 1.552 -0.000 -0.738) 1.719 2.548 ( -5.412 0.000 0.607) 5.446 2.555 ( -0.227 0.000 3.913) 3.920 2.752 ( 3.784 -0.000 0.011) 3.784 2.768 ( 4.116 -0.000 0.036) 4.116 2.994 ( 3.419 -0.000 -2.289) 4.115 3.093 ( -4.725 0.000 1.485) 4.953 3.231 ( -3.636 0.000 2.380) 4.346 3.273 ( -2.325 0.000 0.966) 2.518 3.430 ( -3.753 0.000 -1.041) 3.894 3.470 ( -0.516 0.000 -2.313) 2.370 3.486 ( 1.700 -0.000 2.411) 2.951 3.494 ( 1.316 -0.000 2.135) 2.507 3.527 ( 4.758 -0.000 0.242) 4.764 3.544 ( -2.549 0.000 -0.247) 2.561 3.654 ( -0.662 0.000 -1.670) 1.797 3.720 ( -2.646 0.000 -1.881) 3.246 3.855 ( -0.794 0.000 -3.898) 3.978 3.882 ( 0.106 -0.000 0.427) 0.440 3.895 ( 1.601 -0.000 3.322) 3.688 4.036 ( -4.368 0.000 2.207) 4.894 4.044 ( 0.181 -0.000 -0.114) 0.214 4.087 ( 2.517 -0.000 -3.063) 3.965 4.202 ( -2.788 0.000 1.571) 3.200 4.301 ( -1.974 0.000 -3.324) 3.866 4.312 ( 0.181 -0.000 2.464) 2.471 4.360 ( 3.584 -0.000 0.398) 3.606 4.440 ( -0.040 0.000 -0.968) 0.969 4.478 ( 1.155 -0.000 -0.460) 1.243 4.509 ( -1.717 0.000 0.022) 1.717 4.608 ( -2.506 0.000 -0.085) 2.508 4.850 ( 0.800 -0.000 0.686) 1.054 4.888 ( 0.690 -0.000 -0.172) 0.712 5.128 ( 2.034 -0.000 -0.387) 2.070 5.149 ( -0.388 0.000 1.596) 1.642 5.417 ( -2.875 0.000 1.619) 3.299 5.438 ( -3.963 0.000 0.012) 3.963 5.504 ( 3.883 -0.000 0.921) 3.990 5.594 ( -3.889 0.000 -0.402) 3.910 5.754 ( -1.203 0.000 0.367) 1.258 5.901 ( 0.656 -0.000 1.438) 1.580 6.040 ( 0.243 -0.000 -0.676) 0.718 6.063 ( 2.670 -0.000 -1.188) 2.923 6.702 ( 4.038 -0.000 0.241) 4.045 ======================= Grid point 16 (11/89) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 7.739 8.634 4.685) 12.506 1.083 ( -0.414 -2.333 -0.522) 2.426 1.349 ( 13.206 14.605 -4.725) 20.249 1.537 ( 1.904 2.069 11.302) 11.647 1.608 ( -3.581 1.425 -8.151) 9.016 1.787 ( -5.447 -9.829 -1.305) 11.313 2.007 ( 2.979 0.985 -0.848) 3.250 2.057 ( 0.990 0.465 -0.210) 1.114 2.121 ( 0.254 -1.808 -0.554) 1.908 2.348 ( 2.441 2.446 1.160) 3.645 2.427 ( 0.259 1.275 -0.674) 1.465 2.466 ( -4.486 1.142 1.005) 4.737 2.560 ( -0.873 -2.082 0.528) 2.318 2.771 ( 3.809 3.605 1.238) 5.389 2.815 ( 2.122 2.415 -0.585) 3.268 3.048 ( -2.301 -3.050 -1.298) 4.035 3.061 ( 0.451 -3.637 -0.225) 3.672 3.159 ( -1.282 2.617 1.976) 3.521 3.263 ( -0.998 -2.232 1.250) 2.746 3.414 ( -1.638 -3.262 -1.049) 3.798 3.457 ( 0.807 2.004 2.927) 3.638 3.473 ( 1.396 3.547 -1.538) 4.111 3.489 ( -0.035 1.274 -0.865) 1.540 3.532 ( -1.190 -0.503 0.602) 1.425 3.588 ( 1.521 -0.925 0.103) 1.783 3.634 ( -1.028 0.415 -0.161) 1.121 3.713 ( -0.628 -2.111 -1.601) 2.722 3.849 ( -0.637 -0.705 -1.195) 1.527 3.880 ( -0.042 0.293 0.489) 0.572 3.910 ( 0.577 0.509 0.925) 1.203 3.988 ( -1.680 -0.058 1.376) 2.173 4.036 ( -0.487 0.690 -0.443) 0.954 4.127 ( 1.231 -1.068 -1.667) 2.332 4.181 ( -2.110 -2.055 0.571) 3.000 4.271 ( -1.322 0.075 -0.441) 1.396 4.323 ( 0.559 0.011 0.308) 0.638 4.413 ( 0.589 1.635 0.420) 1.788 4.432 ( 2.177 -1.884 -1.105) 3.084 4.493 ( -1.749 -0.480 0.926) 2.036 4.500 ( 0.575 0.105 -0.505) 0.772 4.574 ( -2.009 -0.540 -0.253) 2.096 4.857 ( 0.491 0.407 0.340) 0.723 4.896 ( 0.150 0.020 -0.049) 0.159 5.127 ( 0.608 1.977 0.508) 2.130 5.154 ( 0.949 -0.164 0.290) 1.006 5.383 ( -0.695 0.212 0.181) 0.749 5.405 ( -2.392 -1.054 0.449) 2.653 5.555 ( 3.203 -0.235 1.532) 3.558 5.577 ( -1.845 -3.372 -0.754) 3.917 5.684 ( -1.949 5.527 -0.394) 5.874 5.954 ( 0.523 -4.840 0.989) 4.967 6.008 ( 0.121 3.455 -0.503) 3.494 6.110 ( 0.743 -1.639 -0.627) 1.906 6.730 ( 2.135 2.129 0.084) 3.016 ======================= Grid point 17 (12/89) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -0.000 15.471 -0.000) 15.471 1.064 ( -0.000 5.459 -0.000) 5.459 1.345 ( -0.000 5.335 -0.000) 5.335 1.354 ( -0.000 18.332 -0.000) 18.332 1.605 ( 0.000 -2.332 0.000) 2.332 1.897 ( 0.000 -9.872 0.000) 9.872 2.011 ( -0.000 2.095 -0.000) 2.095 2.045 ( 0.000 -1.679 0.000) 1.679 2.158 ( 0.000 -2.410 0.000) 2.410 2.336 ( -0.000 4.891 -0.000) 4.891 2.365 ( -0.000 1.451 -0.000) 1.451 2.436 ( -0.000 0.835 -0.000) 0.835 2.581 ( 0.000 -1.296 0.000) 1.296 2.739 ( -0.000 5.945 -0.000) 5.945 2.787 ( -0.000 0.765 -0.000) 0.765 3.025 ( -0.000 2.264 -0.000) 2.264 3.145 ( 0.000 -5.617 0.000) 5.617 3.168 ( 0.000 -2.923 0.000) 2.923 3.312 ( 0.000 -5.382 0.000) 5.382 3.413 ( -0.000 6.601 -0.000) 6.601 3.444 ( -0.000 2.539 -0.000) 2.539 3.464 ( 0.000 -0.760 0.000) 0.760 3.469 ( 0.000 -3.756 0.000) 3.756 3.522 ( -0.000 0.175 -0.000) 0.175 3.594 ( -0.000 0.149 -0.000) 0.149 3.634 ( 0.000 -0.545 0.000) 0.545 3.742 ( 0.000 -2.228 0.000) 2.228 3.855 ( 0.000 -0.742 0.000) 0.742 3.876 ( -0.000 0.267 -0.000) 0.267 3.897 ( -0.000 1.482 -0.000) 1.482 3.993 ( 0.000 -1.625 0.000) 1.625 4.025 ( -0.000 0.415 -0.000) 0.415 4.138 ( 0.000 -0.432 0.000) 0.432 4.206 ( 0.000 -2.886 0.000) 2.886 4.261 ( -0.000 0.003 -0.000) 0.003 4.325 ( -0.000 0.184 -0.000) 0.184 4.391 ( -0.000 1.735 -0.000) 1.735 4.470 ( -0.000 0.651 -0.000) 0.651 4.482 ( 0.000 -2.162 0.000) 2.162 4.494 ( -0.000 0.339 -0.000) 0.339 4.580 ( 0.000 -1.287 0.000) 1.287 4.851 ( -0.000 0.849 -0.000) 0.849 4.891 ( -0.000 0.527 -0.000) 0.527 5.102 ( -0.000 2.899 -0.000) 2.899 5.160 ( -0.000 0.660 -0.000) 0.660 5.405 ( 0.000 -2.610 0.000) 2.610 5.406 ( 0.000 -2.741 0.000) 2.741 5.567 ( -0.000 6.647 -0.000) 6.647 5.619 ( 0.000 -4.873 0.000) 4.873 5.621 ( 0.000 -3.161 0.000) 3.161 5.958 ( -0.000 3.700 -0.000) 3.700 6.019 ( 0.000 -3.491 0.000) 3.491 6.123 ( 0.000 -0.041 0.000) 0.041 6.702 ( -0.000 3.969 -0.000) 3.969 ======================= Grid point 23 (13/89) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.000 -0.000 0.000) 0.000 1.213 ( 0.000 -0.000 0.000) 0.000 1.525 ( 0.000 -0.000 -0.000) 0.000 1.569 ( -0.000 0.000 0.000) 0.000 1.606 ( 0.000 -0.000 -0.000) 0.000 1.641 ( 0.000 -0.000 0.000) 0.000 2.056 ( 0.000 -0.000 0.000) 0.000 2.073 ( 0.000 -0.000 -0.000) 0.000 2.098 ( 0.000 -0.000 -0.000) 0.000 2.395 ( -0.000 0.000 0.000) 0.000 2.438 ( 0.000 -0.000 -0.000) 0.000 2.443 ( 0.000 -0.000 -0.000) 0.000 2.528 ( 0.000 -0.000 0.000) 0.000 2.835 ( 0.000 -0.000 -0.000) 0.000 2.860 ( -0.000 0.000 -0.000) 0.000 2.990 ( 0.000 -0.000 0.000) 0.000 3.033 ( 0.000 -0.000 0.000) 0.000 3.190 ( 0.000 -0.000 -0.000) 0.000 3.211 ( 0.000 -0.000 -0.000) 0.000 3.372 ( 0.000 -0.000 0.000) 0.000 3.470 ( 0.000 -0.000 0.000) 0.000 3.505 ( 0.000 -0.000 -0.000) 0.000 3.506 ( 0.000 -0.000 -0.000) 0.000 3.525 ( 0.000 -0.000 -0.000) 0.000 3.600 ( 0.000 -0.000 0.000) 0.000 3.624 ( 0.000 -0.000 0.000) 0.000 3.690 ( 0.000 -0.000 0.000) 0.000 3.840 ( 0.000 -0.000 0.000) 0.000 3.882 ( 0.000 -0.000 0.000) 0.000 3.920 ( 0.000 -0.000 0.000) 0.000 3.969 ( 0.000 -0.000 -0.000) 0.000 4.040 ( 0.000 -0.000 -0.000) 0.000 4.134 ( 0.000 -0.000 -0.000) 0.000 4.148 ( 0.000 -0.000 -0.000) 0.000 4.261 ( 0.000 -0.000 -0.000) 0.000 4.328 ( 0.000 -0.000 -0.000) 0.000 4.426 ( 0.000 -0.000 0.000) 0.000 4.447 ( -0.000 0.000 -0.000) 0.000 4.477 ( 0.000 -0.000 -0.000) 0.000 4.513 ( 0.000 -0.000 -0.000) 0.000 4.543 ( 0.000 -0.000 -0.000) 0.000 4.863 ( 0.000 -0.000 0.000) 0.000 4.899 ( 0.000 -0.000 -0.000) 0.000 5.140 ( 0.000 -0.000 -0.000) 0.000 5.158 ( 0.000 -0.000 -0.000) 0.000 5.379 ( 0.000 -0.000 0.000) 0.000 5.382 ( 0.000 -0.000 0.000) 0.000 5.527 ( 0.000 -0.000 -0.000) 0.000 5.581 ( 0.000 -0.000 0.000) 0.000 5.727 ( 0.000 -0.000 -0.000) 0.000 5.910 ( 0.000 -0.000 -0.000) 0.000 6.040 ( 0.000 -0.000 0.000) 0.000 6.101 ( 0.000 -0.000 0.000) 0.000 6.761 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 39 (14/89) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( -0.286 0.000 17.132) 17.135 0.344 ( -1.317 0.000 18.452) 18.499 0.775 ( 0.972 -0.000 38.699) 38.711 1.471 ( 1.228 -0.000 3.523) 3.730 1.728 ( -0.823 0.000 3.355) 3.455 1.984 ( -1.215 0.000 -2.224) 2.534 2.020 ( -1.400 0.000 5.400) 5.578 2.045 ( -1.466 0.000 5.722) 5.907 2.286 ( 0.947 -0.000 0.537) 1.088 2.372 ( 0.940 -0.000 -1.611) 1.865 2.405 ( 1.977 -0.000 3.368) 3.905 2.532 ( 5.318 -0.000 3.009) 6.110 2.592 ( -4.616 0.000 2.119) 5.079 2.755 ( -0.164 0.000 -0.747) 0.765 2.769 ( 3.092 -0.000 -3.718) 4.835 2.899 ( -1.125 0.000 -2.141) 2.418 2.964 ( 1.055 -0.000 -0.301) 1.098 3.187 ( -0.008 0.000 -8.161) 8.161 3.278 ( 0.773 -0.000 -7.699) 7.737 3.339 ( 1.035 -0.000 -6.408) 6.491 3.358 ( -1.568 0.000 -2.275) 2.763 3.445 ( 2.534 -0.000 4.315) 5.004 3.454 ( -0.273 0.000 -3.379) 3.390 3.591 ( -1.717 0.000 0.671) 1.843 3.621 ( -0.743 0.000 0.552) 0.926 3.683 ( -0.667 0.000 0.845) 1.076 3.829 ( -1.569 0.000 -1.958) 2.509 3.848 ( 2.592 -0.000 0.115) 2.595 3.895 ( 0.813 -0.000 1.454) 1.666 3.896 ( -3.986 0.000 1.923) 4.426 4.047 ( 0.599 -0.000 2.957) 3.017 4.128 ( -0.102 0.000 1.539) 1.542 4.131 ( 0.932 -0.000 1.481) 1.750 4.250 ( 0.734 -0.000 -2.988) 3.077 4.263 ( 0.455 -0.000 -5.127) 5.147 4.345 ( -0.497 0.000 -1.082) 1.190 4.358 ( -1.419 0.000 -0.808) 1.633 4.488 ( 0.461 -0.000 -1.134) 1.225 4.565 ( 1.025 -0.000 4.252) 4.374 4.604 ( -0.075 0.000 -0.978) 0.981 4.784 ( 0.529 -0.000 -3.307) 3.349 4.795 ( 0.771 -0.000 -5.915) 5.965 4.868 ( -3.284 0.000 1.038) 3.444 5.032 ( -0.343 0.000 1.808) 1.840 5.372 ( -0.375 0.000 -0.287) 0.472 5.444 ( 19.378 -0.000 2.009) 19.482 5.466 ( -15.759 0.000 2.200) 15.912 5.616 ( 3.171 -0.000 -0.837) 3.279 5.709 ( -1.671 0.000 1.056) 1.977 5.770 ( 1.893 -0.000 -0.430) 1.942 5.787 ( -1.495 0.000 4.446) 4.691 5.826 ( 0.556 -0.000 0.968) 1.117 6.008 ( -0.638 0.000 1.974) 2.074 6.469 ( 0.332 -0.000 -5.655) 5.664 ======================= Grid point 40 (15/89) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 3.580 -3.321 16.644) 17.345 0.591 ( 15.070 -12.572 9.137) 21.648 0.927 ( 9.996 -9.426 29.456) 32.503 1.456 ( -1.485 2.367 4.619) 5.398 1.736 ( 1.807 0.028 3.750) 4.163 1.989 ( -2.350 -3.631 -1.151) 4.475 2.019 ( 0.417 -0.808 3.667) 3.778 2.027 ( -1.588 -0.664 5.034) 5.320 2.281 ( 1.395 2.168 1.384) 2.925 2.340 ( -6.139 1.855 1.452) 6.575 2.429 ( -3.143 2.708 3.269) 5.282 2.467 ( 4.830 0.784 2.030) 5.298 2.615 ( 1.538 2.679 2.204) 3.795 2.731 ( 2.587 3.668 -1.151) 4.634 2.784 ( 0.679 -4.112 -0.742) 4.233 2.923 ( -5.438 -4.641 -1.701) 7.349 2.999 ( 4.983 3.095 -2.827) 6.512 3.236 ( 4.625 -2.477 -3.799) 6.478 3.289 ( 0.744 -0.122 -9.111) 9.142 3.354 ( -1.211 -2.524 -3.500) 4.482 3.364 ( 1.143 -1.498 -5.519) 5.832 3.411 ( 1.170 3.544 -0.243) 3.740 3.496 ( -0.688 -0.653 1.778) 2.015 3.570 ( -1.085 1.145 -0.200) 1.590 3.603 ( -1.213 -0.152 0.937) 1.540 3.656 ( -1.895 0.777 -0.267) 2.065 3.784 ( -1.750 1.380 -1.994) 2.991 3.837 ( -4.110 -0.065 0.379) 4.128 3.872 ( 2.591 1.625 -0.527) 3.104 3.911 ( 0.079 -0.664 1.561) 1.698 4.049 ( -0.227 0.264 3.009) 3.029 4.084 ( -4.192 2.260 -0.213) 4.767 4.151 ( 2.993 -0.902 0.660) 3.195 4.236 ( -0.592 1.655 -3.398) 3.826 4.276 ( 0.715 -0.159 -2.833) 2.926 4.330 ( -0.320 0.237 -0.674) 0.783 4.369 ( -0.849 -1.568 -1.155) 2.125 4.481 ( -1.355 0.182 -0.987) 1.686 4.561 ( -0.549 -0.115 5.057) 5.088 4.603 ( 0.913 1.040 -0.343) 1.426 4.776 ( -1.498 1.366 1.153) 2.332 4.796 ( -0.831 0.650 -3.522) 3.677 4.829 ( -1.917 -2.353 4.677) 5.576 4.980 ( 4.161 6.591 3.744) 8.647 5.198 ( -1.193 4.403 6.872) 8.248 5.435 ( -2.099 -2.373 0.473) 3.204 5.607 ( -2.173 4.650 1.400) 5.320 5.619 ( -0.475 4.686 0.548) 4.741 5.668 ( -0.083 -3.385 -2.123) 3.997 5.784 ( -0.997 2.043 -0.809) 2.413 5.861 ( 4.259 -1.913 2.157) 5.143 5.884 ( 1.815 -9.164 -5.844) 11.019 6.019 ( 0.220 -1.492 0.238) 1.527 6.493 ( 2.035 -1.383 -5.822) 6.321 ======================= Grid point 41 (16/89) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 5.549 -1.608 15.820) 16.842 0.911 ( 10.428 -9.256 15.117) 20.566 1.191 ( 4.676 -7.578 6.622) 11.097 1.383 ( -0.825 4.780 5.526) 7.353 1.768 ( 1.904 -1.073 8.448) 8.726 1.986 ( -2.118 -1.057 5.086) 5.610 2.024 ( -0.273 -1.171 3.472) 3.674 2.076 ( 0.137 -5.298 -1.468) 5.499 2.193 ( -6.280 2.898 3.521) 7.761 2.279 ( 2.455 2.203 1.779) 3.747 2.422 ( 0.837 -0.875 1.835) 2.198 2.492 ( 3.595 4.972 -1.470) 6.309 2.603 ( 0.465 -0.810 4.254) 4.356 2.719 ( -1.421 0.087 -0.436) 1.489 2.875 ( 6.510 3.203 -1.317) 7.374 2.901 ( -5.472 -7.576 -1.462) 9.459 2.998 ( 2.716 3.014 -4.089) 5.760 3.256 ( -1.748 2.372 -5.711) 6.426 3.309 ( -0.127 -0.622 -4.373) 4.419 3.342 ( -1.181 0.764 1.957) 2.410 3.377 ( -1.454 4.098 -1.307) 4.540 3.426 ( 0.219 -1.342 -5.379) 5.548 3.493 ( 3.980 -2.919 -2.176) 5.394 3.527 ( -1.270 1.163 0.095) 1.724 3.587 ( -1.423 0.642 -0.247) 1.581 3.634 ( -1.224 0.128 -0.092) 1.234 3.760 ( -1.050 -0.391 -0.812) 1.384 3.811 ( -1.091 -1.575 -3.215) 3.743 3.887 ( 2.218 1.029 0.165) 2.451 3.903 ( -0.698 0.467 0.199) 0.863 3.993 ( -3.161 2.301 -1.278) 4.113 4.048 ( -0.035 -0.020 1.898) 1.899 4.192 ( -2.406 0.363 -1.888) 3.080 4.219 ( 3.597 -0.177 0.042) 3.602 4.279 ( 1.119 1.288 -1.965) 2.603 4.326 ( -0.064 0.168 0.174) 0.250 4.388 ( -0.145 -2.948 -0.544) 3.001 4.463 ( -1.393 -1.246 0.377) 1.907 4.563 ( -1.239 -1.089 5.171) 5.428 4.593 ( 0.500 2.193 0.547) 2.314 4.736 ( -0.579 1.165 7.527) 7.638 4.785 ( 0.187 0.534 -4.498) 4.534 4.859 ( 1.167 -1.589 1.576) 2.524 4.983 ( 2.705 1.365 1.590) 3.422 5.170 ( 0.256 0.583 4.456) 4.502 5.418 ( -2.183 1.411 1.816) 3.171 5.516 ( -1.471 2.474 0.994) 3.045 5.549 ( -1.893 3.718 0.426) 4.194 5.672 ( -0.684 0.487 0.163) 0.855 5.737 ( -1.440 1.233 -0.458) 1.950 5.931 ( 3.177 -0.808 1.448) 3.584 5.985 ( -0.046 -4.106 -0.382) 4.124 6.038 ( -0.132 -1.134 -6.163) 6.268 6.543 ( 1.831 -1.441 -6.182) 6.607 ======================= Grid point 42 (17/89) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 1.456 3.024 15.848) 16.199 1.076 ( -1.850 -0.437 23.438) 23.515 1.239 ( -1.831 -3.951 -3.215) 5.412 1.331 ( 4.178 5.072 -0.305) 6.578 1.800 ( -1.964 -1.145 12.617) 12.820 1.990 ( 0.469 -0.705 4.286) 4.369 2.032 ( -0.629 -1.146 4.660) 4.840 2.124 ( -0.511 0.895 1.064) 1.482 2.152 ( 0.340 -4.747 0.340) 4.771 2.270 ( 0.091 3.112 2.261) 3.847 2.423 ( -1.387 1.785 1.621) 2.782 2.460 ( 1.418 2.407 -3.144) 4.206 2.623 ( -0.760 -0.873 4.157) 4.315 2.704 ( 0.164 0.233 -0.633) 0.694 2.855 ( -2.728 -1.523 -0.931) 3.260 2.937 ( 3.099 5.323 -4.741) 7.773 3.034 ( 1.434 -2.011 -6.105) 6.585 3.186 ( -1.239 0.151 1.773) 2.168 3.278 ( -0.879 1.077 -1.537) 2.073 3.312 ( 0.127 1.859 -5.405) 5.717 3.352 ( 0.405 -1.681 -0.087) 1.731 3.432 ( 0.517 -0.208 -1.789) 1.873 3.517 ( -0.804 -0.277 -0.534) 1.004 3.549 ( -0.807 1.793 -3.215) 3.768 3.600 ( 3.283 -2.467 -0.438) 4.129 3.615 ( -1.203 -0.533 0.116) 1.321 3.757 ( -0.636 -0.577 -0.347) 0.926 3.816 ( -0.879 0.023 -5.074) 5.150 3.899 ( -0.159 -1.175 0.265) 1.215 3.905 ( 0.954 0.436 1.272) 1.649 3.956 ( 0.835 0.037 -2.610) 2.740 4.050 ( -0.092 -0.239 1.491) 1.513 4.156 ( -1.255 -0.103 -1.680) 2.099 4.244 ( 1.087 2.151 -0.042) 2.410 4.273 ( 0.933 0.536 -2.473) 2.696 4.342 ( 0.470 -1.402 0.676) 1.626 4.412 ( -0.578 -1.161 1.888) 2.291 4.465 ( -2.499 0.397 -2.766) 3.748 4.562 ( -0.411 -2.107 5.853) 6.234 4.567 ( 0.364 1.834 1.556) 2.432 4.731 ( 0.653 0.168 5.836) 5.875 4.786 ( 0.649 0.040 -3.678) 3.735 4.888 ( -0.034 -0.705 1.969) 2.092 4.990 ( 0.730 1.279 1.442) 2.061 5.174 ( 0.695 0.210 4.504) 4.562 5.376 ( -0.448 0.415 2.423) 2.499 5.486 ( -0.754 0.988 -0.425) 1.314 5.504 ( 0.360 0.282 0.312) 0.554 5.659 ( 0.117 0.192 0.317) 0.388 5.718 ( -0.691 -0.149 -0.775) 1.049 5.965 ( 0.859 0.007 2.212) 2.373 5.990 ( -0.585 1.916 -0.925) 2.206 6.060 ( -0.015 -2.022 -5.873) 6.211 6.563 ( -0.090 0.243 -6.405) 6.411 ======================= Grid point 43 (18/89) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -4.132 6.149 16.587) 18.166 0.902 ( -10.451 8.841 17.560) 22.265 1.228 ( -7.823 4.899 5.973) 10.995 1.353 ( 4.822 0.478 4.521) 6.627 1.761 ( -3.667 -1.383 8.709) 9.550 1.993 ( -0.343 0.089 4.784) 4.797 2.050 ( 0.233 -0.959 5.331) 5.422 2.152 ( 3.695 0.499 3.736) 5.278 2.178 ( 1.885 2.904 -1.466) 3.760 2.240 ( -1.429 -4.221 0.706) 4.512 2.367 ( -2.300 1.352 -0.151) 2.672 2.452 ( 0.876 1.821 -0.760) 2.159 2.611 ( -1.670 -0.651 2.394) 2.991 2.708 ( 0.070 0.089 -0.851) 0.858 2.852 ( -6.292 -3.841 -2.079) 7.659 2.874 ( 5.491 7.654 -2.493) 9.744 3.036 ( 0.472 0.945 -6.123) 6.213 3.242 ( 0.385 -3.102 2.307) 3.885 3.272 ( -0.647 -0.834 -7.443) 7.517 3.299 ( 1.674 1.431 -4.142) 4.691 3.385 ( 0.398 -0.362 -0.407) 0.675 3.471 ( -0.005 1.243 -1.669) 2.081 3.477 ( -0.341 -0.158 -1.189) 1.247 3.535 ( 1.730 -1.431 -4.157) 4.724 3.632 ( 0.748 -1.888 1.057) 2.290 3.644 ( 0.589 -0.672 1.820) 2.027 3.763 ( 0.991 -0.819 -1.825) 2.232 3.794 ( -2.632 -0.797 -2.387) 3.641 3.902 ( 1.041 1.160 0.842) 1.771 3.921 ( 0.623 -1.198 0.732) 1.536 3.990 ( 1.072 -2.068 -0.587) 2.402 4.052 ( -0.177 -0.204 1.975) 1.994 4.177 ( 1.594 -1.991 -2.494) 3.567 4.208 ( 0.097 3.339 -0.186) 3.345 4.290 ( 0.502 -0.782 -1.356) 1.643 4.323 ( -2.555 1.812 -2.610) 4.077 4.399 ( -0.687 0.324 4.087) 4.157 4.454 ( 1.212 -1.504 0.569) 2.014 4.544 ( -0.341 1.812 2.371) 3.004 4.595 ( -0.676 -2.295 1.319) 2.732 4.745 ( 1.421 -0.137 1.654) 2.185 4.793 ( 0.519 0.463 -1.593) 1.738 4.878 ( -1.871 -0.906 5.036) 5.448 4.973 ( -0.883 1.059 0.675) 1.535 5.179 ( 0.692 0.550 4.794) 4.875 5.411 ( 2.485 -2.646 1.920) 4.106 5.462 ( -0.432 0.523 -1.225) 1.400 5.554 ( 3.170 -3.015 0.469) 4.400 5.679 ( 1.331 -1.275 0.645) 1.953 5.719 ( 0.512 -0.608 -1.676) 1.855 5.941 ( -0.779 3.748 -4.628) 6.006 5.949 ( -1.777 1.542 2.795) 3.653 6.069 ( -0.455 0.465 -2.463) 2.548 6.533 ( -1.737 1.739 -6.609) 7.051 ======================= Grid point 44 (19/89) ======================= q-point: (-0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( -4.571 1.795 17.826) 18.490 0.619 ( -11.630 12.630 13.323) 21.731 0.923 ( -12.582 11.211 27.926) 32.617 1.429 ( 3.489 -1.419 3.202) 4.944 1.746 ( -2.643 -1.237 4.386) 5.268 1.995 ( 0.627 0.410 4.376) 4.440 2.056 ( -0.841 0.303 5.035) 5.113 2.077 ( -2.708 3.309 0.711) 4.334 2.248 ( 1.244 -2.677 0.088) 2.953 2.347 ( 2.129 -1.079 -2.503) 3.459 2.361 ( 8.372 -2.628 4.842) 10.022 2.429 ( -0.848 0.680 1.792) 2.096 2.624 ( -0.671 -3.199 0.786) 3.362 2.704 ( -1.702 -2.264 -2.091) 3.521 2.784 ( 0.370 4.615 -0.963) 4.729 2.902 ( 1.963 -0.821 -1.991) 2.914 3.014 ( -1.094 3.240 -3.223) 4.699 3.213 ( -3.507 0.013 -6.073) 7.013 3.277 ( 0.309 0.677 -7.400) 7.437 3.327 ( 1.917 0.094 -3.527) 4.015 3.387 ( -0.274 -0.379 -0.374) 0.599 3.405 ( -1.342 1.190 -2.209) 2.845 3.479 ( 0.675 1.873 -2.420) 3.134 3.602 ( 0.311 -1.930 -0.555) 2.032 3.631 ( -1.378 0.428 1.287) 1.933 3.674 ( 0.763 -1.133 2.355) 2.722 3.793 ( 0.310 -2.532 -1.009) 2.744 3.812 ( 2.124 -2.312 -1.103) 3.328 3.895 ( 0.639 1.340 1.095) 1.845 3.936 ( -1.626 -0.529 2.342) 2.900 4.036 ( 1.146 -0.756 0.925) 1.655 4.066 ( 1.672 -2.731 1.353) 3.476 4.157 ( -0.880 2.267 0.942) 2.608 4.227 ( 1.958 -0.527 -2.390) 3.135 4.267 ( -0.218 0.978 -4.946) 5.047 4.328 ( 0.381 -1.726 -1.319) 2.205 4.395 ( -0.596 0.448 2.221) 2.343 4.482 ( 0.644 0.367 -1.544) 1.713 4.532 ( 1.482 -0.535 6.158) 6.356 4.605 ( -1.153 -1.214 -0.542) 1.760 4.772 ( 1.486 -0.420 -3.370) 3.707 4.788 ( 0.738 0.813 -3.541) 3.707 4.891 ( 2.500 1.109 7.109) 7.617 4.959 ( -5.112 -8.057 4.392) 10.504 5.192 ( 2.172 -1.242 7.051) 7.482 5.426 ( 1.305 2.318 -0.366) 2.685 5.530 ( 4.256 -3.923 -0.174) 5.791 5.628 ( 1.809 -0.835 -1.169) 2.310 5.705 ( 0.729 -0.426 -0.182) 0.864 5.755 ( 1.261 -1.197 -2.348) 2.921 5.855 ( -2.419 5.774 -4.948) 7.979 5.878 ( -3.315 3.703 2.816) 5.712 6.036 ( -1.311 1.865 0.885) 2.445 6.485 ( -1.407 1.310 -6.154) 6.447 ======================= Grid point 46 (20/89) ======================= q-point: ( 0.17 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 17.657 -0.000 6.509) 18.818 0.693 ( 18.501 -0.000 4.833) 19.122 1.027 ( 13.470 -0.000 28.434) 31.463 1.454 ( -1.530 0.000 5.336) 5.551 1.763 ( 1.628 -0.000 4.345) 4.640 1.948 ( -0.393 0.000 -0.970) 1.047 2.007 ( -0.497 0.000 3.959) 3.990 2.017 ( 0.327 -0.000 3.120) 3.137 2.237 ( -10.776 0.000 3.850) 11.443 2.314 ( 1.257 -0.000 1.505) 1.961 2.408 ( -1.002 0.000 2.144) 2.367 2.551 ( 6.921 -0.000 4.082) 8.035 2.696 ( 0.209 -0.000 0.670) 0.702 2.703 ( -2.162 0.000 -1.057) 2.407 2.726 ( -3.724 0.000 -0.049) 3.725 2.877 ( 2.065 -0.000 -2.490) 3.235 3.136 ( 6.274 -0.000 1.047) 6.361 3.267 ( 4.070 -0.000 -4.745) 6.252 3.297 ( 0.822 -0.000 -6.928) 6.977 3.324 ( -0.350 0.000 -4.735) 4.748 3.368 ( 1.733 -0.000 -5.424) 5.694 3.458 ( 0.818 -0.000 -1.714) 1.900 3.482 ( -0.001 0.000 3.529) 3.529 3.558 ( -4.428 0.000 0.643) 4.475 3.580 ( 0.599 -0.000 -1.537) 1.650 3.624 ( -3.092 0.000 -0.809) 3.196 3.754 ( -3.341 0.000 -2.728) 4.313 3.778 ( -3.605 0.000 -2.104) 4.174 3.902 ( -0.385 0.000 0.911) 0.989 3.927 ( 2.458 -0.000 0.283) 2.475 4.036 ( -2.396 0.000 1.724) 2.951 4.062 ( -1.534 0.000 1.012) 1.837 4.137 ( -1.227 0.000 -0.843) 1.489 4.242 ( -0.599 0.000 -1.491) 1.606 4.288 ( 1.766 -0.000 -2.843) 3.347 4.312 ( -1.331 0.000 -1.377) 1.916 4.386 ( 2.053 -0.000 -1.322) 2.442 4.456 ( -2.235 0.000 -0.820) 2.381 4.527 ( -3.019 0.000 6.873) 7.507 4.623 ( 0.786 -0.000 -0.968) 1.247 4.728 ( -4.435 0.000 12.521) 13.284 4.797 ( 0.585 -0.000 -3.382) 3.432 4.812 ( 0.836 -0.000 -4.490) 4.567 5.080 ( 3.229 -0.000 2.561) 4.121 5.232 ( -1.978 0.000 6.367) 6.668 5.396 ( 2.356 -0.000 -0.798) 2.488 5.592 ( -4.979 0.000 1.326) 5.153 5.594 ( -4.703 0.000 2.028) 5.121 5.669 ( -1.202 0.000 -0.111) 1.207 5.806 ( -1.380 0.000 1.137) 1.789 5.829 ( 3.774 -0.000 -6.814) 7.790 5.922 ( 5.527 -0.000 0.697) 5.571 6.012 ( 0.303 -0.000 0.394) 0.497 6.524 ( 3.843 -0.000 -6.124) 7.229 ======================= Grid point 47 (21/89) ======================= q-point: ( 0.33 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 18.430 9.405 4.089) 21.092 0.985 ( 12.849 -5.339 9.319) 16.746 1.198 ( 5.577 1.150 14.766) 15.826 1.438 ( 1.580 1.264 3.112) 3.712 1.775 ( 0.530 -0.245 9.585) 9.602 1.960 ( 0.599 -1.350 1.360) 2.007 2.013 ( -0.379 0.007 3.611) 3.631 2.034 ( 0.438 -2.046 2.634) 3.364 2.110 ( -6.375 -1.409 2.241) 6.903 2.327 ( 1.759 0.970 1.707) 2.636 2.418 ( 0.752 -1.317 1.796) 2.351 2.596 ( -0.639 5.432 -0.081) 5.470 2.626 ( 1.320 1.464 4.087) 4.538 2.702 ( 1.036 -0.843 -0.810) 1.562 2.736 ( -4.076 -4.095 -2.127) 6.156 2.939 ( 4.634 -2.065 -1.005) 5.171 3.150 ( 3.008 3.724 0.535) 4.816 3.253 ( -2.189 3.692 -3.112) 5.302 3.305 ( -0.099 1.093 -2.024) 2.303 3.321 ( -0.486 0.324 -5.345) 5.377 3.418 ( 0.029 1.562 -5.097) 5.331 3.446 ( 1.658 3.083 0.882) 3.610 3.490 ( -0.151 -2.365 -0.757) 2.487 3.514 ( 0.461 -1.923 0.074) 1.979 3.581 ( -1.651 -0.808 -1.106) 2.145 3.594 ( -1.536 -0.364 -2.995) 3.386 3.716 ( -3.187 -1.215 -2.203) 4.060 3.771 ( 0.107 -2.874 -3.129) 4.250 3.881 ( -1.912 1.150 -0.817) 2.376 3.943 ( 1.134 0.684 0.367) 1.374 3.990 ( -1.189 1.917 -1.911) 2.957 4.049 ( -0.115 0.285 1.295) 1.331 4.129 ( -3.724 -2.355 -1.228) 4.574 4.239 ( -0.076 -0.874 -0.441) 0.982 4.289 ( -0.269 0.196 -1.191) 1.236 4.347 ( 2.218 -2.259 -1.465) 3.488 4.381 ( 1.052 2.853 0.445) 3.073 4.438 ( -0.227 -0.537 -0.840) 1.022 4.508 ( -2.598 -2.054 7.739) 8.418 4.618 ( -0.388 1.091 -0.098) 1.162 4.695 ( -3.201 -2.006 10.610) 11.262 4.799 ( 0.587 0.630 -4.075) 4.165 4.834 ( 0.591 -1.533 -3.043) 3.458 5.102 ( 4.062 3.523 3.341) 6.330 5.198 ( 0.412 2.062 4.611) 5.068 5.433 ( 1.643 1.268 0.689) 2.187 5.500 ( -3.673 1.125 0.986) 3.966 5.536 ( -4.038 0.657 1.576) 4.384 5.655 ( -2.439 -1.942 0.201) 3.124 5.731 ( -1.854 4.494 -0.526) 4.890 5.928 ( 1.075 -6.095 -2.947) 6.855 5.975 ( 2.660 1.335 1.171) 3.199 6.027 ( 0.991 -1.110 -2.809) 3.179 6.576 ( 3.857 0.479 -6.478) 7.554 ======================= Grid point 48 (22/89) ======================= q-point: ( 0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 14.950 15.813 4.484) 22.219 1.146 ( -0.133 8.622 18.268) 20.201 1.160 ( 2.399 -4.087 6.027) 7.667 1.430 ( 2.520 1.948 -3.469) 4.710 1.782 ( -1.126 1.466 13.600) 13.725 1.986 ( -0.620 -0.887 3.535) 3.697 2.010 ( 0.501 -2.470 4.221) 4.916 2.086 ( 0.530 -4.014 3.312) 5.231 2.112 ( 0.565 -2.216 -1.241) 2.602 2.320 ( 0.027 3.322 2.007) 3.882 2.433 ( -0.810 1.773 2.294) 3.010 2.495 ( -2.316 2.507 -2.106) 4.010 2.614 ( -1.225 0.379 2.624) 2.920 2.715 ( -1.749 0.230 -2.624) 3.162 2.752 ( 1.850 -1.043 0.354) 2.153 3.014 ( 0.703 -1.059 -5.092) 5.248 3.154 ( -2.165 2.145 2.213) 3.766 3.164 ( 6.472 3.598 0.887) 7.458 3.273 ( -0.280 2.085 -4.943) 5.372 3.323 ( -0.246 -2.223 -1.873) 2.917 3.360 ( 0.380 3.282 -4.892) 5.903 3.444 ( 0.836 0.878 -0.046) 1.213 3.498 ( -0.729 -1.151 0.780) 1.570 3.550 ( -2.128 -0.472 -3.392) 4.032 3.566 ( -1.380 -1.482 -0.679) 2.136 3.621 ( 2.543 -1.222 -1.093) 3.026 3.708 ( -1.434 -2.681 -1.556) 3.416 3.816 ( -0.236 0.515 -4.629) 4.664 3.845 ( -1.429 -2.942 -0.542) 3.315 3.926 ( -1.023 0.898 -0.832) 1.595 3.990 ( 2.637 0.772 -1.171) 2.986 4.044 ( -0.397 -0.086 1.199) 1.266 4.113 ( -2.189 -2.332 -2.429) 4.016 4.238 ( -2.777 -1.254 -0.461) 3.082 4.290 ( -0.482 -0.658 -1.131) 1.395 4.352 ( 1.665 2.419 -0.731) 3.027 4.402 ( 1.469 -0.817 2.420) 2.946 4.449 ( -0.115 0.564 -2.638) 2.700 4.517 ( -0.534 -3.041 7.409) 8.027 4.586 ( -1.500 1.488 0.944) 2.315 4.692 ( -2.629 -2.913 9.561) 10.335 4.798 ( 0.747 0.563 -4.125) 4.230 4.853 ( -0.705 -0.866 -2.434) 2.678 5.096 ( 3.379 4.857 3.450) 6.849 5.194 ( 1.039 0.427 4.762) 4.892 5.403 ( 0.199 2.009 2.272) 3.039 5.470 ( -1.758 -0.985 0.416) 2.058 5.508 ( 1.188 1.444 -0.121) 1.874 5.657 ( -0.965 -0.678 1.196) 1.680 5.662 ( -3.630 -1.750 -1.976) 4.488 5.963 ( -1.110 1.263 -0.177) 1.691 6.008 ( 0.924 -3.487 0.029) 3.607 6.051 ( 1.842 0.772 -4.498) 4.922 6.597 ( 2.137 2.436 -6.702) 7.444 ======================= Grid point 49 (23/89) ======================= q-point: (-0.33 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 8.583 20.257 5.354) 22.642 0.955 ( -5.314 12.645 13.002) 18.899 1.216 ( 0.504 3.132 10.592) 11.057 1.421 ( -0.616 3.723 4.947) 6.222 1.721 ( -2.056 0.908 8.825) 9.107 1.996 ( 0.945 -0.170 4.267) 4.374 2.045 ( 0.497 -0.891 4.596) 4.708 2.164 ( 1.774 -6.833 5.623) 9.025 2.169 ( 0.517 -2.927 -1.623) 3.387 2.252 ( 0.824 5.417 -0.600) 5.512 2.351 ( -3.009 2.141 0.051) 3.693 2.476 ( -0.680 0.811 1.228) 1.621 2.598 ( -1.182 -0.704 1.254) 1.862 2.668 ( -2.624 1.721 -2.221) 3.844 2.786 ( 1.040 -1.196 -0.056) 1.586 2.970 ( -1.396 3.164 -4.012) 5.296 3.155 ( 6.041 3.682 -1.369) 7.206 3.209 ( 0.786 2.042 -1.284) 2.537 3.251 ( -0.294 -1.754 -5.506) 5.786 3.336 ( 0.354 1.212 -4.616) 4.786 3.383 ( 0.722 -2.384 0.071) 2.492 3.453 ( 0.315 -1.637 -0.655) 1.791 3.481 ( -0.650 0.904 -2.335) 2.587 3.530 ( -1.066 -0.484 -2.199) 2.491 3.594 ( -0.055 -3.792 0.416) 3.815 3.643 ( -0.231 -0.462 0.655) 0.834 3.737 ( 0.505 -1.526 -0.435) 1.666 3.786 ( -0.202 0.540 -4.358) 4.396 3.883 ( -1.021 -2.571 0.178) 2.772 3.919 ( 0.299 -0.790 0.237) 0.877 4.009 ( 2.324 0.467 -0.550) 2.433 4.045 ( -0.304 -0.343 1.972) 2.025 4.129 ( -2.452 -2.867 -3.018) 4.831 4.219 ( -0.837 -0.899 -0.604) 1.369 4.288 ( -1.012 -0.030 -0.824) 1.305 4.330 ( -0.046 2.071 -2.934) 3.592 4.414 ( 1.979 0.839 3.017) 3.704 4.462 ( 2.030 -0.724 1.077) 2.409 4.541 ( -2.424 0.041 3.063) 3.906 4.555 ( -0.649 -1.636 2.518) 3.072 4.705 ( -2.244 -3.576 9.296) 10.210 4.798 ( 0.140 0.481 -3.303) 3.341 4.837 ( -1.135 0.622 -2.821) 3.104 5.059 ( 1.578 5.756 2.343) 6.412 5.199 ( 0.431 0.794 5.181) 5.259 5.424 ( 2.553 -2.506 1.374) 3.832 5.467 ( 0.535 1.711 -0.356) 1.828 5.516 ( -0.446 -3.240 0.722) 3.349 5.667 ( 0.256 -3.486 -0.449) 3.524 5.683 ( -0.725 -3.224 -0.303) 3.318 5.921 ( -2.060 1.553 -1.150) 2.825 6.028 ( 1.864 3.357 -0.809) 3.924 6.061 ( -0.291 -0.736 -2.990) 3.093 6.566 ( 0.454 4.090 -6.880) 8.016 ======================= Grid point 50 (24/89) ======================= q-point: (-0.17 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 4.122 16.322 9.133) 19.152 0.687 ( -4.261 16.793 7.789) 18.996 1.023 ( -0.240 16.006 27.165) 31.531 1.428 ( -0.057 -3.057 4.192) 5.189 1.717 ( 0.292 -0.515 4.547) 4.585 2.012 ( 1.136 0.239 4.482) 4.630 2.051 ( -0.934 -0.017 6.259) 6.328 2.105 ( -2.826 6.774 -2.420) 7.729 2.231 ( 0.946 -1.810 1.233) 2.386 2.332 ( 0.388 -9.928 5.364) 11.292 2.360 ( 2.945 -1.715 -2.828) 4.428 2.442 ( -1.067 1.211 2.858) 3.282 2.605 ( 0.150 0.409 2.345) 2.385 2.633 ( 1.025 -1.763 -2.803) 3.466 2.808 ( -0.083 -0.493 -0.663) 0.830 2.933 ( 1.009 1.194 -2.159) 2.666 3.104 ( -4.089 7.486 -4.131) 9.478 3.197 ( 4.676 1.267 -2.741) 5.567 3.284 ( 0.438 -0.529 -9.005) 9.031 3.345 ( 1.189 -1.841 -0.054) 2.192 3.378 ( -0.215 1.182 -2.525) 2.796 3.419 ( -1.076 3.098 -4.747) 5.770 3.499 ( -0.247 -0.974 -0.587) 1.164 3.555 ( -0.970 -3.574 0.586) 3.749 3.626 ( -0.906 1.060 1.225) 1.856 3.646 ( -0.616 -2.920 0.855) 3.104 3.764 ( 0.609 -1.787 -1.200) 2.237 3.812 ( 2.186 -1.787 -1.589) 3.240 3.882 ( -2.598 -1.008 -0.439) 2.821 3.925 ( -0.376 0.704 2.866) 2.975 4.044 ( -0.110 -0.478 2.392) 2.442 4.064 ( 3.142 -2.582 0.419) 4.088 4.118 ( -2.145 -1.452 -2.532) 3.622 4.226 ( -0.681 -0.866 -2.163) 2.428 4.276 ( 0.167 0.164 -2.906) 2.916 4.326 ( 0.599 -0.024 -0.876) 1.062 4.419 ( -0.190 2.232 -0.752) 2.363 4.486 ( 0.024 -0.034 -0.857) 0.858 4.532 ( 1.548 -1.660 8.391) 8.692 4.575 ( -0.014 -1.856 0.584) 1.946 4.740 ( -1.193 -5.410 8.468) 10.119 4.790 ( -0.345 -0.163 -2.913) 2.937 4.826 ( 0.028 -0.486 -0.524) 0.716 4.980 ( -0.457 6.433 1.192) 6.558 5.188 ( -0.948 -0.008 5.557) 5.637 5.456 ( 0.568 0.674 -0.522) 1.024 5.522 ( 3.515 -4.781 0.683) 5.974 5.562 ( -2.201 -5.578 1.890) 6.287 5.711 ( -1.051 -1.525 -1.520) 2.396 5.735 ( 1.470 -3.719 0.056) 3.999 5.871 ( -0.387 3.029 0.026) 3.053 5.986 ( 1.670 6.613 -6.707) 9.566 6.044 ( -1.165 1.309 0.719) 1.894 6.513 ( 0.398 3.653 -6.478) 7.447 ======================= Grid point 53 (25/89) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 5.818 -0.000 1.475) 6.002 1.107 ( 15.239 -0.000 3.922) 15.736 1.360 ( 8.052 -0.000 14.843) 16.887 1.453 ( 0.888 -0.000 -0.675) 1.115 1.791 ( 2.601 -0.000 11.800) 12.083 1.917 ( -9.306 0.000 9.195) 13.082 1.970 ( 1.596 -0.000 -0.280) 1.621 2.053 ( 2.971 -0.000 3.612) 4.677 2.079 ( 1.928 -0.000 -0.451) 1.980 2.366 ( 2.721 -0.000 1.726) 3.222 2.418 ( 1.019 -0.000 1.383) 1.718 2.570 ( -6.503 0.000 1.607) 6.699 2.613 ( -3.322 0.000 0.861) 3.432 2.727 ( 2.609 -0.000 -4.576) 5.267 2.754 ( 5.954 -0.000 0.895) 6.021 2.987 ( 4.488 -0.000 1.246) 4.658 3.111 ( -5.776 0.000 -0.049) 5.776 3.251 ( -3.387 0.000 -0.842) 3.490 3.307 ( -0.837 0.000 -1.500) 1.717 3.377 ( 1.783 -0.000 -1.474) 2.313 3.425 ( -3.442 0.000 -0.071) 3.443 3.466 ( 1.605 -0.000 -5.493) 5.722 3.496 ( 0.916 -0.000 -0.871) 1.264 3.512 ( 4.050 -0.000 -0.917) 4.152 3.531 ( -2.144 0.000 -2.617) 3.383 3.591 ( 0.362 -0.000 -2.822) 2.845 3.667 ( -2.348 0.000 -2.074) 3.133 3.754 ( 1.161 -0.000 -3.832) 4.004 3.863 ( -2.619 0.000 -2.321) 3.499 3.936 ( -1.852 0.000 -0.983) 2.097 4.014 ( 2.208 -0.000 -4.098) 4.655 4.050 ( -0.278 0.000 0.309) 0.416 4.058 ( -3.526 0.000 0.227) 3.534 4.194 ( -4.212 0.000 -1.027) 4.336 4.284 ( -0.877 0.000 -1.460) 1.704 4.383 ( 5.131 -0.000 1.405) 5.320 4.417 ( 0.282 -0.000 -1.576) 1.601 4.443 ( 1.554 -0.000 -0.109) 1.558 4.472 ( -0.438 0.000 9.243) 9.254 4.609 ( -2.111 0.000 0.449) 2.158 4.638 ( -2.940 0.000 11.107) 11.490 4.810 ( 0.466 -0.000 -4.039) 4.066 4.834 ( 0.815 -0.000 -4.071) 4.152 5.162 ( 2.326 -0.000 3.542) 4.237 5.210 ( -0.906 0.000 4.376) 4.469 5.455 ( -2.178 0.000 1.780) 2.813 5.458 ( -4.146 0.000 1.701) 4.481 5.513 ( 2.580 -0.000 -0.371) 2.607 5.589 ( -3.517 0.000 0.156) 3.520 5.780 ( -0.796 0.000 2.299) 2.433 5.865 ( 0.078 -0.000 -5.252) 5.253 6.002 ( -0.963 0.000 -2.834) 2.993 6.048 ( 3.641 -0.000 0.363) 3.659 6.635 ( 3.853 -0.000 -6.861) 7.869 ======================= Grid point 54 (26/89) ======================= q-point: ( 0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.599 -1.710 3.224) 3.698 1.209 ( 8.111 11.261 1.516) 13.960 1.344 ( -0.762 7.855 8.886) 11.884 1.470 ( 5.264 -0.963 1.204) 5.485 1.795 ( -2.703 2.080 12.121) 12.592 1.897 ( -0.492 -6.237 11.021) 12.673 2.011 ( 2.937 -0.598 0.055) 2.997 2.089 ( 1.616 0.429 3.449) 3.832 2.104 ( 1.137 -0.455 0.265) 1.253 2.374 ( 1.581 3.501 1.701) 4.201 2.442 ( -0.572 0.633 2.144) 2.308 2.475 ( -3.545 0.586 0.176) 3.598 2.574 ( -2.473 -0.285 0.131) 2.493 2.748 ( 1.862 2.043 -5.317) 5.993 2.797 ( 1.994 1.621 0.137) 2.574 3.016 ( -0.323 0.797 -1.491) 1.722 3.098 ( -0.109 -4.944 2.777) 5.671 3.192 ( -2.621 0.620 0.521) 2.744 3.293 ( -1.442 -0.860 -1.268) 2.104 3.371 ( 1.117 2.741 -1.415) 3.281 3.403 ( -0.012 0.609 -2.907) 2.970 3.450 ( 0.733 0.282 -1.351) 1.562 3.479 ( -0.495 1.343 -1.996) 2.456 3.512 ( -0.939 1.130 -2.555) 2.947 3.566 ( 1.113 0.121 -1.350) 1.754 3.615 ( -0.187 -1.587 -1.299) 2.060 3.673 ( 1.745 -2.615 -1.343) 3.418 3.794 ( 0.707 -2.611 -2.833) 3.918 3.816 ( -1.969 0.886 -4.791) 5.255 3.907 ( -2.195 -0.075 -2.862) 3.607 4.017 ( -1.114 -0.257 0.710) 1.346 4.041 ( -0.207 0.387 0.476) 0.648 4.067 ( 1.774 -1.473 -4.333) 4.908 4.159 ( -3.086 -2.672 -1.622) 4.392 4.276 ( -0.561 -0.406 -1.103) 1.303 4.397 ( -0.451 2.058 -1.073) 2.365 4.435 ( 2.750 0.881 5.164) 5.917 4.472 ( 1.437 0.589 -1.313) 2.034 4.490 ( 2.061 -1.421 6.560) 7.021 4.566 ( -3.233 0.641 2.595) 4.195 4.624 ( -1.919 -2.389 9.451) 9.935 4.812 ( 0.287 0.327 -4.150) 4.172 4.844 ( 0.197 -0.125 -3.915) 3.922 5.168 ( 0.382 2.292 3.485) 4.188 5.203 ( 0.214 -0.608 4.266) 4.314 5.405 ( -1.573 0.826 1.681) 2.446 5.427 ( -2.074 -0.892 1.486) 2.703 5.549 ( -1.708 -3.926 -2.086) 4.762 5.587 ( 2.833 0.016 1.592) 3.250 5.686 ( -1.894 7.310 0.272) 7.557 5.935 ( -0.586 -6.344 -1.909) 6.651 5.976 ( -0.373 1.484 -3.709) 4.012 6.088 ( 1.950 0.230 -0.545) 2.038 6.661 ( 2.018 2.145 -7.056) 7.645 ======================= Grid point 55 (27/89) ======================= q-point: (-0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -5.801 13.463 6.538) 16.052 1.081 ( 2.427 9.443 1.727) 9.902 1.304 ( 2.171 0.018 1.384) 2.574 1.487 ( -1.807 9.792 12.701) 16.139 1.723 ( -0.052 1.501 9.418) 9.537 1.999 ( 1.950 -5.653 8.990) 10.797 2.034 ( 0.405 0.397 2.373) 2.440 2.091 ( 0.111 -2.291 4.645) 5.180 2.144 ( 0.908 -2.334 -1.015) 2.702 2.337 ( -1.984 5.525 0.316) 5.879 2.354 ( 1.051 2.621 -0.121) 2.826 2.469 ( -1.411 0.429 2.724) 3.098 2.576 ( 1.275 -1.183 -0.936) 1.975 2.700 ( -1.478 3.603 -4.345) 5.835 2.794 ( 0.176 0.863 0.371) 0.956 2.994 ( 0.475 2.134 -2.902) 3.633 3.152 ( -1.135 -0.937 0.884) 1.716 3.197 ( -1.249 -5.014 -0.494) 5.191 3.303 ( -1.663 -2.866 -3.976) 5.176 3.347 ( 1.407 1.860 0.684) 2.431 3.385 ( 1.458 4.732 -4.337) 6.582 3.460 ( 0.469 0.978 -3.875) 4.024 3.479 ( -1.394 -0.837 -1.462) 2.186 3.485 ( 0.167 -1.640 0.148) 1.655 3.576 ( 1.409 -0.223 -1.349) 1.963 3.622 ( -1.215 -1.254 -0.308) 1.773 3.732 ( 1.631 -1.559 0.278) 2.273 3.786 ( 0.134 -0.323 -4.234) 4.248 3.839 ( -0.709 -1.882 -2.438) 3.160 3.905 ( 0.635 -1.884 -1.868) 2.728 4.005 ( -2.563 -1.311 0.113) 2.880 4.041 ( 0.659 0.022 0.670) 0.940 4.101 ( 1.907 -0.091 -2.842) 3.424 4.183 ( -0.045 -2.851 -1.316) 3.141 4.274 ( -0.520 -0.196 -0.728) 0.916 4.351 ( -1.014 2.233 -1.664) 2.964 4.458 ( 1.257 1.063 -0.772) 1.818 4.480 ( 1.511 -0.838 6.026) 6.269 4.516 ( -0.724 0.507 3.606) 3.712 4.536 ( 0.370 -0.500 4.565) 4.607 4.644 ( -0.815 -2.659 8.080) 8.546 4.804 ( -0.546 0.650 -4.088) 4.175 4.839 ( 0.036 0.587 -3.875) 3.919 5.130 ( -0.463 3.445 2.704) 4.404 5.205 ( -1.002 0.415 4.219) 4.357 5.410 ( 1.114 -2.155 0.954) 2.606 5.435 ( -1.208 -3.067 1.890) 3.800 5.550 ( -2.351 4.272 -2.010) 5.274 5.603 ( 0.983 -2.253 -0.462) 2.501 5.648 ( 1.683 -3.119 1.691) 3.927 5.931 ( -0.530 1.845 -2.953) 3.522 6.014 ( -0.314 -3.699 -0.641) 3.767 6.091 ( 0.738 1.817 -1.954) 2.769 6.630 ( 0.112 3.973 -7.073) 8.113 ======================= Grid point 56 (28/89) ======================= q-point: (-0.17 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -9.896 15.170 9.365) 20.390 0.969 ( 5.821 14.493 7.183) 17.191 1.269 ( 0.851 11.464 11.674) 16.384 1.347 ( -3.363 -4.496 5.795) 8.069 1.746 ( 3.547 1.321 7.507) 8.408 2.029 ( -1.747 0.235 6.753) 6.980 2.037 ( 0.309 0.853 4.501) 4.592 2.158 ( -0.696 2.918 -2.558) 3.943 2.172 ( -1.600 -7.443 5.579) 9.438 2.242 ( -0.369 1.415 0.851) 1.692 2.390 ( 4.176 -0.823 -2.769) 5.078 2.438 ( -0.844 0.826 3.074) 3.293 2.609 ( 0.727 -0.085 1.554) 1.718 2.685 ( 4.746 -0.335 -2.395) 5.327 2.780 ( -1.647 -1.344 -0.413) 2.166 2.973 ( 1.634 2.765 -2.364) 3.988 3.087 ( -6.200 3.690 -3.404) 7.978 3.239 ( -0.970 -2.890 -5.233) 6.056 3.308 ( 0.017 -1.442 1.084) 1.805 3.333 ( -0.219 2.115 -3.668) 4.239 3.366 ( -1.120 -2.338 0.101) 2.594 3.449 ( -1.446 -0.026 -5.828) 6.005 3.476 ( 3.167 1.968 -2.559) 4.522 3.517 ( 0.648 -0.984 -0.437) 1.257 3.609 ( -2.054 -0.601 0.360) 2.171 3.616 ( 0.778 -1.924 0.426) 2.119 3.759 ( 0.648 -0.472 0.138) 0.813 3.819 ( 1.842 -1.620 -1.819) 3.054 3.841 ( -0.775 -0.851 -3.277) 3.474 3.927 ( -0.430 0.682 1.727) 1.906 3.995 ( -2.434 -2.902 -1.432) 4.049 4.049 ( 0.011 -0.010 1.543) 1.543 4.145 ( 4.486 -0.862 -1.503) 4.809 4.198 ( -1.051 -1.050 -1.306) 1.978 4.273 ( -0.213 -0.210 -1.921) 1.945 4.331 ( 0.024 0.398 -0.743) 0.844 4.432 ( -1.223 1.894 -0.275) 2.271 4.493 ( -0.041 1.087 0.638) 1.261 4.541 ( 1.612 -1.831 4.368) 5.003 4.563 ( 1.670 -1.261 4.778) 5.216 4.681 ( 0.977 -3.205 9.806) 10.363 4.786 ( -0.523 0.322 -4.561) 4.602 4.837 ( 1.068 0.374 -2.780) 3.001 5.049 ( -2.273 5.774 1.556) 6.397 5.177 ( -1.267 0.635 4.191) 4.424 5.445 ( -3.429 -1.160 1.977) 4.125 5.476 ( 0.883 -3.754 0.795) 3.938 5.501 ( 0.674 -1.905 -0.290) 2.042 5.656 ( -0.027 -3.267 -0.444) 3.297 5.712 ( 1.031 -2.538 0.813) 2.858 5.913 ( 1.637 1.509 -1.192) 2.526 6.029 ( -1.636 -0.429 0.404) 1.739 6.063 ( 0.438 2.932 -4.828) 5.665 6.570 ( -0.098 3.801 -6.672) 7.679 ======================= Grid point 60 (29/89) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 1.208 -0.000 5.207) 5.345 1.309 ( -9.634 0.000 0.643) 9.656 1.410 ( -3.668 0.000 -7.831) 8.647 1.469 ( 9.164 -0.000 11.083) 14.381 1.766 ( -1.497 0.000 10.860) 10.963 1.903 ( 2.504 -0.000 14.836) 15.046 2.056 ( 3.460 -0.000 -2.465) 4.248 2.106 ( -0.598 0.000 3.321) 3.374 2.111 ( -0.490 0.000 4.231) 4.260 2.406 ( -4.355 0.000 1.394) 4.572 2.446 ( 0.689 -0.000 0.812) 1.065 2.456 ( 3.025 -0.000 1.608) 3.426 2.542 ( -1.962 0.000 0.777) 2.110 2.775 ( -0.300 0.000 -8.100) 8.105 2.815 ( -1.703 0.000 -1.888) 2.543 3.000 ( -0.218 0.000 0.114) 0.246 3.093 ( 3.604 -0.000 3.650) 5.129 3.159 ( -3.851 0.000 -1.841) 4.268 3.259 ( -1.412 0.000 2.102) 2.532 3.386 ( 1.402 -0.000 -0.351) 1.445 3.400 ( 0.328 -0.000 -0.218) 0.394 3.449 ( -1.540 0.000 -4.790) 5.032 3.476 ( -1.098 0.000 -3.643) 3.805 3.540 ( 0.274 -0.000 0.123) 0.300 3.580 ( -0.921 0.000 -1.643) 1.884 3.603 ( 1.452 -0.000 -1.785) 2.301 3.681 ( 1.640 -0.000 -0.095) 1.643 3.797 ( 0.169 -0.000 -6.073) 6.076 3.800 ( 1.960 -0.000 -3.131) 3.694 3.878 ( -1.642 0.000 -4.156) 4.469 3.981 ( -1.947 0.000 -0.293) 1.969 4.047 ( 0.324 -0.000 0.259) 0.415 4.100 ( 2.739 -0.000 -3.779) 4.667 4.119 ( 0.572 -0.000 -2.108) 2.184 4.265 ( -0.485 0.000 -1.263) 1.353 4.404 ( -0.301 0.000 -1.192) 1.230 4.454 ( -0.143 0.000 10.242) 10.243 4.504 ( 0.311 -0.000 -0.705) 0.770 4.515 ( -1.637 0.000 -1.903) 2.510 4.538 ( 2.451 -0.000 6.558) 7.001 4.588 ( -0.617 0.000 10.232) 10.250 4.812 ( -0.414 0.000 -4.438) 4.457 4.848 ( 0.241 -0.000 -3.932) 3.939 5.178 ( -1.266 0.000 3.665) 3.878 5.194 ( -0.161 0.000 3.143) 3.147 5.400 ( -1.124 0.000 1.716) 2.051 5.401 ( 0.025 -0.000 1.506) 1.507 5.498 ( 0.075 -0.000 -2.524) 2.525 5.601 ( -0.817 0.000 1.782) 1.961 5.761 ( -0.179 0.000 3.324) 3.329 5.854 ( -0.596 0.000 -5.279) 5.312 5.990 ( 0.809 -0.000 -4.734) 4.802 6.106 ( 0.524 -0.000 0.357) 0.634 6.689 ( -0.047 0.000 -7.220) 7.220 ======================= Grid point 61 (30/89) ======================= q-point: (-0.33 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -11.026 9.364 4.657) 15.197 1.139 ( 0.278 -1.567 4.627) 4.892 1.340 ( -1.106 1.861 -6.502) 6.853 1.498 ( -8.113 6.640 13.013) 16.711 1.785 ( 5.657 0.132 8.620) 10.311 1.943 ( 0.481 -4.224 12.270) 12.986 2.051 ( -0.789 1.218 2.533) 2.919 2.106 ( -0.379 0.487 5.415) 5.450 2.116 ( 0.304 -2.350 -0.265) 2.384 2.335 ( -3.632 2.250 0.165) 4.275 2.444 ( 2.955 2.394 -0.637) 3.856 2.459 ( -1.145 1.418 2.239) 2.888 2.564 ( 0.673 -3.379 0.614) 3.500 2.715 ( -2.652 3.542 -5.598) 7.136 2.789 ( -2.334 -0.332 -2.758) 3.628 3.034 ( 2.311 -0.424 -2.507) 3.435 3.103 ( -4.262 -0.636 -1.821) 4.678 3.142 ( 2.248 -1.062 3.638) 4.407 3.265 ( 0.498 -0.663 0.954) 1.264 3.365 ( -0.641 2.159 -3.363) 4.048 3.426 ( -1.159 1.313 -5.057) 5.351 3.435 ( -1.129 -0.741 -1.206) 1.811 3.480 ( 2.552 -1.716 0.789) 3.175 3.508 ( 0.161 1.930 -3.070) 3.630 3.571 ( -1.884 -1.527 -0.786) 2.549 3.618 ( 1.780 1.072 -1.394) 2.502 3.714 ( 0.293 -2.969 -0.821) 3.094 3.810 ( 2.864 1.213 -3.514) 4.693 3.822 ( 0.282 -0.057 -2.934) 2.948 3.891 ( 1.699 -2.230 -2.309) 3.632 3.970 ( -0.415 -0.061 -1.605) 1.659 4.052 ( 0.630 0.133 0.650) 0.915 4.123 ( 1.120 -0.566 -2.424) 2.730 4.158 ( 1.539 -1.732 -1.230) 2.623 4.266 ( 0.018 -0.528 -1.511) 1.600 4.369 ( -1.232 2.650 -0.599) 2.984 4.466 ( -1.769 0.637 3.370) 3.859 4.481 ( 1.021 -1.675 5.566) 5.902 4.499 ( -1.392 -0.933 0.613) 1.785 4.570 ( 2.307 1.400 5.341) 5.984 4.617 ( 1.667 -2.063 7.655) 8.102 4.799 ( -1.075 0.354 -4.790) 4.922 4.847 ( 0.167 0.139 -3.571) 3.577 5.151 ( -1.411 1.918 2.812) 3.685 5.188 ( -1.323 -0.201 3.132) 3.406 5.398 ( -0.065 -0.917 1.397) 1.673 5.415 ( 2.124 -0.222 1.086) 2.396 5.523 ( -1.458 -0.624 -1.720) 2.339 5.590 ( 0.025 -2.117 0.660) 2.217 5.700 ( 1.442 5.070 0.912) 5.349 5.902 ( -1.239 -4.668 -3.823) 6.160 5.998 ( 1.516 0.770 -1.667) 2.381 6.103 ( -0.805 0.056 -0.646) 1.034 6.658 ( -2.066 1.990 -7.162) 7.715 ======================= Grid point 62 (31/89) ======================= q-point: (-0.17 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -13.173 11.978 8.596) 19.771 1.194 ( 4.238 6.288 8.239) 11.197 1.233 ( -11.556 -1.720 12.711) 17.265 1.304 ( -0.498 2.833 -2.732) 3.967 1.829 ( 2.148 2.229 9.665) 10.149 2.000 ( -1.095 -1.068 7.359) 7.516 2.047 ( -0.028 -0.013 4.801) 4.802 2.100 ( -0.488 -2.332 4.622) 5.200 2.154 ( 0.282 -2.735 0.031) 2.749 2.273 ( -0.422 2.517 -0.068) 2.553 2.424 ( -0.803 0.980 -0.653) 1.425 2.448 ( 0.151 1.042 -0.355) 1.111 2.610 ( 1.261 -1.737 1.766) 2.779 2.715 ( 4.496 -3.649 -3.423) 6.726 2.742 ( -3.585 0.938 -0.793) 3.789 3.039 ( -2.977 2.361 -3.451) 5.133 3.047 ( -1.265 1.300 -5.352) 5.651 3.183 ( 0.505 -1.473 3.099) 3.468 3.262 ( -0.208 0.348 -1.903) 1.946 3.330 ( -1.648 0.676 -2.502) 3.071 3.370 ( -0.520 2.213 -1.651) 2.809 3.429 ( -0.302 -0.473 -3.659) 3.702 3.506 ( 1.207 -0.590 -4.169) 4.381 3.548 ( -0.599 -1.349 0.420) 1.535 3.578 ( 1.705 -1.026 0.553) 2.066 3.623 ( 1.456 1.454 -0.915) 2.252 3.747 ( -0.381 -1.810 -1.302) 2.262 3.824 ( 1.146 0.764 -3.248) 3.528 3.847 ( 2.440 -1.398 -1.152) 3.039 3.929 ( -0.109 -0.406 1.098) 1.176 3.961 ( 0.233 1.131 -2.447) 2.706 4.054 ( 0.034 0.337 1.156) 1.205 4.152 ( 0.091 -1.739 -0.403) 1.788 4.189 ( 1.445 -1.404 -1.858) 2.741 4.273 ( 0.381 0.271 -2.118) 2.169 4.344 ( 0.558 0.545 -0.825) 1.135 4.437 ( -1.262 0.641 2.308) 2.708 4.482 ( -1.794 -1.375 0.014) 2.260 4.536 ( 0.533 -1.958 2.840) 3.490 4.577 ( 1.577 1.471 5.548) 5.953 4.679 ( 3.187 -2.097 8.504) 9.320 4.782 ( -0.409 0.090 -4.806) 4.824 4.855 ( 1.299 -0.445 -2.215) 2.606 5.071 ( -4.088 4.240 1.940) 6.201 5.173 ( -0.500 0.334 3.746) 3.794 5.400 ( -1.375 0.607 2.316) 2.761 5.462 ( 2.640 -1.241 0.257) 2.928 5.485 ( -1.165 -0.537 -0.989) 1.619 5.641 ( 1.648 -0.922 -0.016) 1.888 5.698 ( 1.222 -1.341 0.541) 1.893 5.934 ( 0.380 -1.834 -3.200) 3.707 6.000 ( -0.826 -0.001 1.151) 1.417 6.086 ( -0.755 0.802 -3.062) 3.254 6.595 ( -2.210 2.036 -6.759) 7.397 ======================= Grid point 67 (32/89) ======================= q-point: (-0.33 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -14.873 0.000 6.688) 16.308 1.099 ( -6.861 0.000 2.018) 7.152 1.299 ( -0.810 0.000 -1.802) 1.976 1.474 ( -10.618 0.000 13.377) 17.079 1.887 ( -2.973 0.000 12.065) 12.425 1.888 ( 9.367 -0.000 4.981) 10.609 2.043 ( -1.582 0.000 6.281) 6.477 2.068 ( -0.563 0.000 3.626) 3.669 2.116 ( -0.671 0.000 1.754) 1.878 2.301 ( -3.189 0.000 -0.876) 3.307 2.441 ( -1.719 0.000 1.765) 2.463 2.490 ( -1.919 0.000 -2.508) 3.158 2.545 ( 3.027 -0.000 0.225) 3.035 2.721 ( -2.071 0.000 -5.086) 5.491 2.734 ( -2.247 0.000 -2.109) 3.081 3.032 ( -5.005 0.000 -1.014) 5.107 3.057 ( 2.057 -0.000 -3.064) 3.691 3.199 ( 4.271 -0.000 1.172) 4.429 3.284 ( 1.548 -0.000 2.155) 2.653 3.393 ( -2.828 0.000 -7.385) 7.908 3.400 ( 1.835 -0.000 -3.203) 3.691 3.423 ( -0.682 0.000 -2.941) 3.020 3.494 ( -4.613 0.000 -3.197) 5.613 3.523 ( 2.912 -0.000 0.737) 3.004 3.531 ( 2.061 -0.000 0.101) 2.064 3.652 ( 1.989 -0.000 -1.171) 2.309 3.710 ( 2.318 -0.000 -1.139) 2.582 3.809 ( -0.619 0.000 -2.823) 2.890 3.875 ( 2.499 -0.000 0.177) 2.505 3.896 ( 2.280 -0.000 -1.413) 2.682 3.990 ( 2.684 -0.000 -2.644) 3.768 4.056 ( -0.176 0.000 1.029) 1.044 4.113 ( -0.899 0.000 -1.678) 1.904 4.175 ( 1.615 -0.000 -1.278) 2.059 4.270 ( 1.610 -0.000 -2.191) 2.719 4.355 ( -4.184 0.000 -0.195) 4.189 4.448 ( -0.492 0.000 6.083) 6.103 4.466 ( -0.077 0.000 1.311) 1.313 4.487 ( -0.371 0.000 2.671) 2.696 4.623 ( 2.862 -0.000 9.764) 10.175 4.624 ( 2.114 -0.000 2.049) 2.943 4.784 ( -1.215 0.000 -5.173) 5.314 4.844 ( -0.259 0.000 -2.895) 2.907 5.156 ( -0.541 0.000 2.278) 2.341 5.168 ( -1.723 0.000 3.110) 3.555 5.402 ( 1.573 -0.000 0.048) 1.573 5.455 ( 3.650 -0.000 1.231) 3.851 5.487 ( -3.552 0.000 -0.675) 3.615 5.600 ( 4.168 -0.000 0.204) 4.173 5.762 ( -0.041 0.000 1.015) 1.016 5.833 ( -0.840 0.000 -5.062) 5.131 6.029 ( 1.380 -0.000 -1.345) 1.927 6.075 ( -2.822 0.000 0.324) 2.841 6.627 ( -3.976 0.000 -7.177) 8.205 ======================= Grid point 68 (33/89) ======================= q-point: (-0.17 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -15.860 8.023 9.174) 20.002 0.990 ( -15.501 -5.615 7.702) 18.197 1.271 ( -4.620 1.209 12.140) 13.046 1.327 ( -1.441 0.944 3.090) 3.538 1.834 ( -3.550 1.467 9.480) 10.228 1.991 ( 0.683 -0.964 3.411) 3.610 2.059 ( 0.537 0.701 6.273) 6.334 2.084 ( 5.262 -1.132 6.565) 8.490 2.117 ( -0.305 -2.458 0.101) 2.479 2.276 ( -0.757 -0.428 -0.600) 1.057 2.397 ( -3.663 0.447 -0.518) 3.727 2.455 ( -1.460 1.384 -1.443) 2.476 2.604 ( 2.238 -2.532 -0.582) 3.429 2.711 ( -1.427 0.242 -1.531) 2.107 2.726 ( 3.046 -2.161 -2.270) 4.370 2.972 ( -5.151 0.042 -1.502) 5.365 3.058 ( -1.131 1.361 -5.071) 5.371 3.239 ( 3.979 1.647 1.278) 4.492 3.283 ( -0.423 0.922 -2.103) 2.335 3.322 ( -2.923 1.957 -6.239) 7.162 3.396 ( -0.351 1.322 -2.639) 2.973 3.445 ( 2.524 -0.068 -1.282) 2.831 3.468 ( -2.463 -3.259 -3.112) 5.135 3.531 ( 1.453 0.936 -3.661) 4.048 3.603 ( 3.909 -0.799 3.027) 5.008 3.662 ( 0.414 1.302 -0.201) 1.381 3.741 ( 2.320 0.235 -2.163) 3.180 3.820 ( -0.533 -1.681 -0.726) 1.907 3.877 ( 1.173 1.215 0.006) 1.689 3.926 ( 0.641 0.186 0.828) 1.063 4.009 ( 1.900 2.454 -0.990) 3.258 4.055 ( -0.124 -0.079 0.932) 0.944 4.130 ( 1.076 -3.011 -0.804) 3.297 4.186 ( 0.535 -0.037 -1.911) 1.985 4.291 ( 1.069 0.468 -1.368) 1.798 4.323 ( -1.977 -2.266 -2.354) 3.819 4.419 ( -1.064 1.454 4.051) 4.434 4.469 ( -0.406 1.028 0.553) 1.236 4.509 ( 0.562 -2.784 4.385) 5.224 4.623 ( 0.900 1.866 2.338) 3.124 4.694 ( 3.323 -2.184 6.519) 7.636 4.775 ( -0.013 -0.572 -4.118) 4.158 4.851 ( 0.398 -1.377 -0.812) 1.647 5.081 ( -3.823 5.512 2.001) 7.000 5.169 ( -0.324 -0.656 3.546) 3.620 5.428 ( 2.306 2.224 0.984) 3.351 5.448 ( -1.864 -1.648 -1.262) 2.790 5.512 ( 4.795 0.128 0.450) 4.818 5.663 ( 2.950 -0.486 0.528) 3.036 5.721 ( 0.791 2.927 -0.658) 3.102 5.876 ( -0.642 -5.132 -3.981) 6.527 6.001 ( -2.583 1.867 1.421) 3.490 6.065 ( -1.125 -1.711 -1.425) 2.495 6.566 ( -3.906 0.280 -6.883) 7.919 ======================= Grid point 74 (34/89) ======================= q-point: (-0.17 -0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -12.523 0.000 13.064) 18.097 0.698 ( -19.270 0.000 5.121) 19.938 1.048 ( -18.415 0.000 25.467) 31.428 1.386 ( 4.360 -0.000 2.548) 5.050 1.802 ( -3.702 0.000 5.857) 6.929 1.987 ( 0.014 -0.000 3.605) 3.605 2.064 ( -0.264 0.000 6.543) 6.548 2.081 ( -1.799 0.000 0.741) 1.946 2.219 ( 11.676 -0.000 5.781) 13.029 2.264 ( 0.329 -0.000 -1.171) 1.217 2.355 ( -2.342 0.000 -1.778) 2.940 2.448 ( -1.457 0.000 1.004) 1.769 2.624 ( 4.177 -0.000 -4.034) 5.807 2.718 ( -1.193 0.000 0.157) 1.203 2.724 ( 1.897 -0.000 -1.141) 2.214 2.924 ( -2.305 0.000 -1.300) 2.647 3.044 ( -3.078 0.000 -3.377) 4.569 3.262 ( -3.589 0.000 -7.170) 8.018 3.277 ( -0.693 0.000 -3.244) 3.318 3.306 ( 1.141 -0.000 -4.112) 4.267 3.391 ( -0.747 0.000 -2.510) 2.619 3.413 ( -0.916 0.000 -1.006) 1.361 3.462 ( 0.177 -0.000 -3.414) 3.418 3.581 ( 3.500 -0.000 -2.008) 4.035 3.658 ( 3.425 -0.000 3.988) 5.257 3.661 ( -2.077 0.000 0.596) 2.161 3.795 ( 3.424 -0.000 -0.020) 3.424 3.797 ( 0.305 -0.000 -0.962) 1.009 3.884 ( -0.591 0.000 1.096) 1.245 3.948 ( 0.775 -0.000 1.076) 1.326 4.038 ( -0.320 0.000 2.015) 2.040 4.084 ( 3.151 -0.000 -1.806) 3.632 4.098 ( -0.011 0.000 1.640) 1.641 4.205 ( 1.838 -0.000 -2.044) 2.748 4.267 ( -1.302 0.000 -4.072) 4.275 4.326 ( 1.715 -0.000 -1.149) 2.065 4.434 ( -2.633 0.000 1.561) 3.061 4.459 ( 1.238 -0.000 -0.615) 1.382 4.508 ( 1.731 -0.000 7.235) 7.439 4.633 ( -1.325 0.000 -0.751) 1.523 4.733 ( 4.410 -0.000 4.538) 6.328 4.770 ( 0.378 -0.000 -4.032) 4.050 4.847 ( 1.057 -0.000 2.268) 2.502 5.093 ( -3.554 0.000 2.655) 4.436 5.157 ( 1.546 -0.000 4.508) 4.766 5.405 ( -1.854 0.000 -1.014) 2.113 5.500 ( 4.668 -0.000 -0.387) 4.684 5.573 ( 4.549 -0.000 -0.475) 4.573 5.701 ( 2.256 -0.000 1.009) 2.472 5.783 ( 1.839 -0.000 -0.081) 1.840 5.797 ( -2.287 0.000 -4.982) 5.481 5.950 ( -6.748 0.000 0.375) 6.758 6.036 ( -0.828 0.000 1.317) 1.556 6.513 ( -3.486 0.000 -6.563) 7.431 ======================= Grid point 75 (35/89) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -0.461 0.000 19.128) 19.134 0.716 ( -2.196 0.000 19.845) 19.966 1.459 ( -0.455 0.000 30.322) 30.326 1.555 ( 2.769 -0.000 4.497) 5.281 1.810 ( -1.728 0.000 4.711) 5.018 1.904 ( -2.528 0.000 -4.952) 5.560 2.174 ( -0.683 0.000 9.135) 9.161 2.193 ( -2.603 0.000 9.026) 9.394 2.301 ( 2.020 -0.000 1.125) 2.312 2.323 ( 2.877 -0.000 -3.031) 4.179 2.477 ( 1.611 -0.000 3.897) 4.217 2.625 ( 7.260 -0.000 4.232) 8.403 2.652 ( -5.895 0.000 5.744) 8.231 2.675 ( 4.613 -0.000 -5.161) 6.922 2.727 ( 0.557 -0.000 -2.284) 2.350 2.834 ( -1.943 0.000 -4.024) 4.468 2.921 ( 1.547 -0.000 -4.206) 4.481 3.021 ( 2.306 -0.000 -8.154) 8.474 3.101 ( -1.217 0.000 -10.154) 10.227 3.179 ( 0.309 -0.000 -9.678) 9.683 3.272 ( -2.273 0.000 -7.014) 7.373 3.431 ( 0.805 -0.000 2.120) 2.268 3.527 ( 2.954 -0.000 3.881) 4.878 3.613 ( -1.936 0.000 2.078) 2.840 3.618 ( 0.111 -0.000 -0.586) 0.596 3.724 ( -3.206 0.000 3.032) 4.413 3.799 ( -1.694 0.000 -0.898) 1.918 3.857 ( 2.002 -0.000 1.262) 2.367 3.930 ( 0.464 -0.000 2.083) 2.134 3.953 ( -2.208 0.000 1.950) 2.945 4.054 ( 0.460 -0.000 -7.329) 7.344 4.102 ( -0.851 0.000 0.950) 1.276 4.156 ( 0.601 -0.000 0.840) 1.033 4.189 ( 0.497 -0.000 -2.993) 3.034 4.200 ( 1.685 -0.000 -0.211) 1.699 4.306 ( -0.146 0.000 -3.054) 3.057 4.349 ( -3.314 0.000 -0.323) 3.330 4.454 ( 0.582 -0.000 -2.717) 2.778 4.517 ( 0.577 -0.000 -7.672) 7.693 4.593 ( 0.477 -0.000 -5.562) 5.582 4.718 ( 0.810 -0.000 2.757) 2.873 4.767 ( -0.016 0.000 1.927) 1.927 4.891 ( -0.738 0.000 1.127) 1.347 5.053 ( -0.087 0.000 -0.347) 0.357 5.391 ( -0.577 0.000 2.974) 3.029 5.459 ( 2.242 -0.000 0.962) 2.440 5.560 ( 0.183 -0.000 5.809) 5.811 5.622 ( 3.459 -0.000 0.996) 3.600 5.711 ( -1.647 0.000 -0.316) 1.677 5.749 ( -0.231 0.000 -1.757) 1.772 5.844 ( 0.607 -0.000 0.531) 0.807 5.893 ( -0.482 0.000 5.839) 5.859 6.053 ( -0.676 0.000 2.356) 2.452 6.319 ( 0.641 -0.000 -9.486) 9.508 ======================= Grid point 76 (36/89) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 1.602 -4.246 18.220) 18.777 0.804 ( 8.431 -8.194 14.097) 18.356 1.508 ( 2.669 -1.861 25.178) 25.387 1.571 ( 0.240 0.944 7.864) 7.924 1.821 ( 3.126 -0.857 4.194) 5.301 1.911 ( -1.581 -4.685 -5.020) 7.046 2.140 ( -1.726 0.981 7.406) 7.667 2.181 ( -2.512 -1.593 9.223) 9.690 2.313 ( 1.801 1.646 1.938) 3.116 2.348 ( 0.899 0.196 0.242) 0.952 2.503 ( -1.755 5.396 2.685) 6.277 2.513 ( -1.188 1.387 3.833) 4.245 2.658 ( -0.109 1.879 -0.146) 1.888 2.705 ( 5.106 2.714 -0.090) 5.783 2.774 ( 2.047 -2.756 0.997) 3.575 2.842 ( -4.358 -4.804 -5.865) 8.745 2.935 ( 4.189 3.940 -3.570) 6.769 3.079 ( 1.808 -0.267 -11.176) 11.324 3.141 ( 5.093 -3.999 -6.308) 9.040 3.201 ( 0.566 -2.966 -9.167) 9.652 3.257 ( -0.016 -1.166 -7.496) 7.586 3.426 ( 0.303 1.427 2.346) 2.762 3.563 ( 0.006 1.321 3.936) 4.151 3.578 ( -1.223 0.271 0.646) 1.409 3.624 ( -1.268 -0.948 1.278) 2.035 3.673 ( -2.821 0.188 2.527) 3.792 3.760 ( -1.982 0.582 -0.468) 2.118 3.839 ( -4.365 1.799 0.506) 4.748 3.894 ( 1.296 2.983 1.573) 3.613 3.942 ( -2.242 -0.102 1.112) 2.505 4.031 ( -3.516 1.157 -6.470) 7.455 4.095 ( -0.445 0.698 1.879) 2.053 4.135 ( 0.586 1.776 -2.481) 3.107 4.171 ( 2.312 1.544 -1.143) 3.006 4.241 ( 0.325 -1.222 -0.797) 1.495 4.297 ( -1.068 -0.299 -3.003) 3.201 4.341 ( -0.012 -1.552 -1.365) 2.066 4.456 ( -0.687 -0.554 -1.702) 1.917 4.533 ( 1.276 -0.389 -7.045) 7.170 4.603 ( 0.576 -0.535 -5.117) 5.177 4.726 ( -0.033 -0.170 2.772) 2.777 4.765 ( 0.215 0.231 2.389) 2.410 4.926 ( 1.258 -3.859 2.496) 4.765 5.051 ( 3.074 2.910 2.176) 4.760 5.335 ( -1.891 4.083 6.393) 7.818 5.455 ( -1.441 -1.539 1.699) 2.707 5.627 ( 0.818 0.979 0.981) 1.609 5.630 ( -2.701 4.715 0.352) 5.445 5.646 ( 2.409 -0.891 0.696) 2.661 5.748 ( -2.163 -1.259 -2.027) 3.221 5.833 ( -0.457 0.335 -0.959) 1.114 5.937 ( 2.649 -2.462 4.389) 5.687 6.048 ( -0.964 -0.193 1.968) 2.200 6.341 ( 1.814 -1.176 -9.524) 9.766 ======================= Grid point 77 (37/89) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 3.106 -3.928 17.656) 18.352 1.055 ( 8.945 -8.521 6.785) 14.095 1.486 ( -1.759 4.625 9.823) 10.999 1.581 ( -1.261 -0.580 19.717) 19.765 1.905 ( 4.790 -1.621 4.296) 6.635 1.978 ( 0.495 -6.566 -4.922) 8.221 2.118 ( -1.608 -0.723 5.616) 5.886 2.156 ( -2.841 0.623 7.198) 7.763 2.284 ( -4.254 0.780 3.965) 5.867 2.350 ( 2.421 0.083 7.537) 7.917 2.435 ( 3.788 3.890 0.326) 5.439 2.506 ( -0.220 1.784 3.068) 3.556 2.664 ( 2.432 -0.016 0.558) 2.495 2.700 ( -2.356 -0.197 -1.377) 2.736 2.824 ( 0.387 1.157 -3.839) 4.028 2.834 ( 0.358 -0.829 -3.776) 3.883 2.933 ( 2.230 2.507 -2.237) 4.032 3.097 ( 1.508 0.063 -9.057) 9.182 3.185 ( -0.727 -0.216 -7.774) 7.811 3.266 ( -0.185 -3.545 -6.692) 7.575 3.345 ( 5.650 -2.626 -4.069) 7.441 3.409 ( -0.333 1.412 1.296) 1.945 3.509 ( -0.861 1.772 4.407) 4.828 3.541 ( -0.557 1.422 1.105) 1.885 3.609 ( -2.475 0.087 1.896) 3.119 3.652 ( -2.343 0.018 2.276) 3.266 3.748 ( -3.201 0.420 -2.033) 3.816 3.755 ( -1.279 -1.387 0.129) 1.891 3.884 ( -2.376 1.277 -3.220) 4.200 3.896 ( 1.861 2.059 -0.219) 2.784 3.957 ( -2.749 1.515 -1.146) 3.341 4.077 ( -0.484 0.613 1.291) 1.509 4.128 ( -0.601 -0.436 -4.657) 4.716 4.209 ( 3.903 2.443 -2.002) 5.021 4.223 ( -1.448 0.143 -2.026) 2.494 4.307 ( 0.959 -0.967 -2.021) 2.437 4.369 ( 0.336 -2.226 -0.852) 2.407 4.452 ( -1.959 -1.217 -0.997) 2.512 4.549 ( 0.865 0.256 -6.356) 6.419 4.614 ( 0.130 -0.111 -5.928) 5.930 4.717 ( -0.440 0.997 2.014) 2.290 4.782 ( 0.886 -1.782 6.209) 6.520 4.995 ( 0.458 -3.266 2.149) 3.937 5.072 ( 5.290 2.024 9.074) 10.697 5.277 ( -0.740 1.626 6.045) 6.303 5.451 ( -1.499 0.087 1.654) 2.234 5.532 ( -2.250 3.022 0.674) 3.828 5.569 ( -2.045 4.704 1.446) 5.330 5.671 ( 0.456 0.869 -0.131) 0.990 5.717 ( -2.938 -0.330 -1.589) 3.356 5.855 ( 1.738 -1.138 -6.087) 6.431 5.999 ( 1.344 -1.912 3.015) 3.815 6.033 ( -0.807 -0.098 1.647) 1.836 6.384 ( 1.621 -1.317 -9.666) 9.889 ======================= Grid point 78 (38/89) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.382 0.355 18.675) 18.682 1.207 ( 1.020 -1.071 2.728) 3.103 1.415 ( 0.155 2.747 6.561) 7.115 1.561 ( -0.610 -1.124 23.499) 23.534 1.948 ( 0.195 0.456 1.377) 1.463 2.075 ( 1.328 -4.106 -2.873) 5.184 2.103 ( -1.440 -0.691 4.682) 4.946 2.136 ( 0.241 -1.895 5.805) 6.111 2.238 ( -2.402 0.272 5.627) 6.124 2.373 ( -3.655 4.830 5.243) 8.010 2.406 ( 4.738 1.163 3.074) 5.766 2.489 ( -1.175 0.983 4.123) 4.398 2.666 ( -3.295 -1.070 -0.960) 3.595 2.701 ( 3.220 1.049 0.542) 3.430 2.804 ( -3.268 -2.281 -4.473) 5.991 2.831 ( 2.907 4.789 -4.825) 7.393 2.913 ( 0.645 3.105 -4.543) 5.540 3.110 ( -0.419 -0.411 -7.009) 7.034 3.163 ( -0.685 0.651 -8.830) 8.881 3.297 ( -0.762 -1.947 -0.386) 2.126 3.377 ( 1.323 -1.521 2.862) 3.501 3.421 ( 3.239 0.551 -0.407) 3.311 3.482 ( -0.805 2.434 -0.075) 2.565 3.544 ( -2.857 2.317 -0.518) 3.715 3.606 ( 1.753 -2.209 1.550) 3.218 3.630 ( 0.116 -2.715 1.563) 3.135 3.704 ( -0.492 2.270 -3.389) 4.108 3.774 ( -1.320 -3.401 0.540) 3.688 3.856 ( -0.133 -1.243 -5.662) 5.798 3.904 ( 1.163 1.669 -1.248) 2.387 3.944 ( 1.150 -1.586 2.154) 2.911 4.069 ( -0.056 -0.236 0.697) 0.738 4.124 ( -2.179 -1.621 -2.191) 3.490 4.177 ( 1.967 3.966 -5.575) 7.119 4.232 ( 0.251 0.044 -1.757) 1.775 4.343 ( 1.732 -0.432 -0.872) 1.987 4.406 ( 0.376 -2.149 -0.766) 2.312 4.424 ( -3.113 -0.327 -1.602) 3.517 4.547 ( 0.041 0.590 -6.211) 6.239 4.604 ( -0.722 0.675 -6.162) 6.240 4.698 ( 0.257 1.259 1.727) 2.152 4.825 ( 0.465 -1.916 8.044) 8.283 5.013 ( -0.942 0.307 1.417) 1.729 5.112 ( 2.347 1.430 13.746) 14.018 5.271 ( 1.364 0.439 4.879) 5.085 5.422 ( -0.848 0.166 1.997) 2.176 5.483 ( -1.046 1.768 0.145) 2.060 5.512 ( 0.291 0.256 0.263) 0.468 5.659 ( -0.100 0.048 -0.216) 0.243 5.695 ( -1.564 -0.520 -1.579) 2.282 5.870 ( 0.780 1.617 -7.161) 7.382 6.017 ( -0.058 -0.929 2.193) 2.383 6.047 ( 0.495 -0.719 1.832) 2.029 6.400 ( -0.254 0.368 -9.836) 9.846 ======================= Grid point 79 (39/89) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -4.510 4.519 19.991) 20.986 1.102 ( -7.187 7.873 7.998) 13.327 1.435 ( 2.825 -1.585 6.095) 6.902 1.602 ( 0.422 -0.302 22.231) 22.237 1.909 ( -4.196 1.187 5.181) 6.772 2.089 ( -0.332 4.739 -1.087) 4.873 2.119 ( -0.269 -3.398 1.848) 3.877 2.175 ( -1.469 0.164 4.749) 4.974 2.210 ( 1.517 -2.489 3.536) 4.583 2.293 ( -0.524 -0.669 4.067) 4.154 2.415 ( -1.579 1.415 6.132) 6.488 2.463 ( 2.885 1.975 2.019) 4.037 2.644 ( -1.290 0.339 0.092) 1.337 2.700 ( -0.721 1.620 0.852) 1.967 2.793 ( 2.555 4.767 -3.765) 6.590 2.808 ( -3.130 -4.518 -3.800) 6.682 2.894 ( 2.874 2.406 -6.493) 7.497 3.096 ( -1.661 -0.040 -9.586) 9.729 3.147 ( -1.179 0.128 -8.804) 8.884 3.299 ( -1.560 0.289 -1.024) 1.888 3.388 ( -2.416 2.792 -3.663) 5.201 3.430 ( -2.357 3.404 1.165) 4.301 3.466 ( 1.995 0.966 2.114) 3.063 3.516 ( 5.624 -4.160 1.261) 7.108 3.638 ( 0.587 -1.643 -0.178) 1.754 3.693 ( 1.722 -1.183 2.479) 3.242 3.715 ( 1.975 -3.285 -0.774) 3.910 3.795 ( -2.691 -2.805 1.046) 4.025 3.895 ( 1.520 -2.181 -3.677) 4.537 3.899 ( 2.184 1.149 -2.023) 3.191 3.988 ( 0.438 -2.096 1.300) 2.505 4.086 ( 0.750 -0.844 1.638) 1.989 4.128 ( -0.624 -2.384 -2.658) 3.624 4.159 ( 3.288 3.491 -4.379) 6.494 4.244 ( 0.536 -1.332 -2.811) 3.156 4.300 ( -4.206 2.661 0.383) 4.992 4.424 ( 1.583 -0.480 -1.670) 2.351 4.435 ( -0.831 -1.364 -1.103) 1.941 4.534 ( -0.577 0.477 -7.163) 7.202 4.585 ( -0.420 0.296 -5.078) 5.104 4.697 ( 1.214 0.480 2.105) 2.477 4.819 ( -1.958 1.698 6.425) 6.929 4.982 ( -1.425 0.901 -0.005) 1.686 5.090 ( -2.335 1.350 9.758) 10.124 5.292 ( 2.476 0.339 6.358) 6.831 5.446 ( 0.442 -0.759 1.229) 1.511 5.461 ( 1.003 -1.035 1.435) 2.034 5.562 ( 3.953 -2.150 0.057) 4.500 5.679 ( -1.153 -2.224 -1.564) 2.953 5.690 ( 1.947 -0.250 0.412) 2.006 5.841 ( -0.255 2.302 -4.243) 4.834 6.014 ( -1.456 1.122 3.483) 3.938 6.060 ( 0.605 -0.486 0.272) 0.822 6.367 ( -1.639 1.743 -9.984) 10.267 ======================= Grid point 80 (40/89) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -4.407 2.294 20.058) 20.664 0.868 ( -8.449 9.575 14.610) 19.404 1.490 ( 0.558 -0.951 11.995) 12.045 1.542 ( -1.928 4.177 21.484) 21.971 1.843 ( -4.300 -0.872 4.916) 6.589 1.981 ( -2.630 5.435 -4.471) 7.513 2.162 ( -0.559 -2.199 8.223) 8.530 2.202 ( 1.722 -1.773 6.396) 6.857 2.260 ( 1.132 -1.854 0.620) 2.259 2.299 ( 0.592 1.044 -0.159) 1.211 2.471 ( 1.596 1.289 2.925) 3.573 2.474 ( 6.958 -4.698 4.825) 9.683 2.622 ( 2.291 2.240 0.109) 3.206 2.680 ( -3.703 -3.299 -0.136) 4.961 2.764 ( 0.720 3.571 -0.543) 3.683 2.835 ( 0.711 -1.507 -4.727) 5.013 2.911 ( 1.974 0.656 -6.205) 6.545 3.054 ( -2.543 2.027 -9.404) 9.950 3.127 ( -2.018 -0.420 -8.779) 9.018 3.222 ( -2.474 4.918 -6.691) 8.665 3.305 ( -2.710 0.110 -6.835) 7.353 3.417 ( 0.536 0.134 2.772) 2.826 3.493 ( 3.448 0.983 3.787) 5.214 3.600 ( 1.399 -0.935 0.058) 1.684 3.647 ( -0.798 0.507 0.629) 1.136 3.738 ( -0.575 -2.009 3.721) 4.268 3.789 ( -0.489 -3.247 0.565) 3.332 3.805 ( 1.971 -2.792 0.404) 3.442 3.919 ( 1.009 0.056 0.774) 1.273 3.945 ( 2.357 -1.224 -2.199) 3.448 4.026 ( 1.086 -2.294 -2.966) 3.904 4.102 ( 0.145 -1.192 1.919) 2.263 4.134 ( 0.637 0.540 -2.092) 2.252 4.178 ( -0.028 -0.168 -1.817) 1.825 4.216 ( -0.496 2.658 0.327) 2.723 4.284 ( 1.174 -1.920 -3.042) 3.784 4.409 ( -3.452 0.669 -1.130) 3.693 4.443 ( 1.292 0.266 -2.304) 2.655 4.520 ( -0.293 0.372 -7.831) 7.846 4.587 ( 0.541 -0.167 -4.892) 4.925 4.710 ( 1.082 0.467 2.893) 3.123 4.772 ( -1.052 0.745 3.059) 3.319 4.936 ( -1.748 2.920 0.662) 3.467 5.055 ( -3.106 -2.154 2.399) 4.476 5.342 ( 2.889 -2.492 7.076) 8.039 5.431 ( 0.984 1.553 1.388) 2.304 5.545 ( 4.089 -3.090 1.274) 5.281 5.606 ( 1.403 2.884 0.685) 3.280 5.694 ( -1.089 -3.312 -0.337) 3.502 5.737 ( 2.010 -0.762 -0.317) 2.173 5.821 ( 1.064 0.299 -0.628) 1.271 5.951 ( -3.273 2.825 4.305) 6.102 6.065 ( -0.259 0.325 1.605) 1.658 6.326 ( -0.757 1.016 -9.884) 9.965 ======================= Grid point 82 (41/89) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 10.136 -0.000 12.531) 16.118 0.857 ( 11.296 -0.000 12.145) 16.586 1.571 ( 6.385 -0.000 24.330) 25.154 1.577 ( -1.401 0.000 7.196) 7.331 1.870 ( 5.282 -0.000 5.689) 7.763 1.873 ( 0.726 -0.000 -5.882) 5.926 2.122 ( -1.660 0.000 7.290) 7.477 2.138 ( -2.022 0.000 7.937) 8.190 2.324 ( -4.807 0.000 5.301) 7.156 2.345 ( 1.165 -0.000 1.660) 2.028 2.476 ( -2.941 0.000 4.854) 5.676 2.589 ( 5.191 -0.000 0.235) 5.196 2.639 ( -2.803 0.000 -4.827) 5.582 2.721 ( -3.287 0.000 -0.373) 3.308 2.728 ( -2.672 0.000 -0.026) 2.673 2.851 ( 7.048 -0.000 1.959) 7.315 3.084 ( 5.218 -0.000 -10.105) 11.373 3.104 ( 2.527 -0.000 -5.822) 6.347 3.158 ( 5.950 -0.000 -5.849) 8.343 3.201 ( 1.591 -0.000 -10.285) 10.407 3.251 ( 2.439 -0.000 -6.591) 7.028 3.443 ( -0.061 0.000 1.234) 1.236 3.569 ( 0.051 -0.000 2.127) 2.128 3.573 ( -1.727 0.000 3.063) 3.516 3.587 ( -2.898 0.000 1.724) 3.372 3.622 ( -3.461 0.000 1.229) 3.673 3.722 ( -3.719 0.000 -0.607) 3.769 3.770 ( -6.433 0.000 1.454) 6.596 3.913 ( -1.896 0.000 0.414) 1.940 3.931 ( -0.380 0.000 -1.137) 1.199 3.986 ( -3.764 0.000 -5.685) 6.818 4.093 ( -1.110 0.000 1.846) 2.154 4.125 ( -2.334 0.000 -1.178) 2.615 4.205 ( 1.347 -0.000 -1.481) 2.002 4.249 ( 3.227 -0.000 -0.983) 3.373 4.276 ( -1.586 0.000 -2.450) 2.919 4.354 ( 2.156 -0.000 -2.095) 3.007 4.429 ( -2.327 0.000 -1.718) 2.893 4.550 ( 1.656 -0.000 -6.789) 6.988 4.604 ( 0.459 -0.000 -3.794) 3.821 4.723 ( -0.290 0.000 2.917) 2.931 4.772 ( 0.329 -0.000 1.888) 1.916 4.926 ( 1.833 -0.000 5.936) 6.213 5.127 ( 4.909 -0.000 1.101) 5.031 5.363 ( -3.942 0.000 6.433) 7.545 5.392 ( 0.910 -0.000 1.048) 1.388 5.618 ( -3.499 0.000 1.174) 3.690 5.622 ( -4.553 0.000 0.497) 4.580 5.673 ( -0.482 0.000 1.298) 1.385 5.711 ( 1.681 -0.000 -4.311) 4.627 5.818 ( -1.365 0.000 -0.279) 1.393 5.972 ( 4.015 -0.000 3.212) 5.142 6.036 ( -1.201 0.000 1.963) 2.302 6.363 ( 3.016 -0.000 -10.070) 10.512 ======================= Grid point 83 (42/89) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 11.601 3.128 11.327) 16.513 1.076 ( 8.960 -6.075 6.060) 12.406 1.521 ( -2.962 3.396 6.914) 8.253 1.629 ( 3.971 3.753 20.457) 21.174 1.902 ( 1.196 -1.780 -4.176) 4.695 1.978 ( 6.622 -3.083 6.810) 9.986 2.104 ( -0.076 0.614 5.380) 5.416 2.135 ( -0.493 -0.645 7.626) 7.669 2.226 ( -6.116 0.724 7.785) 9.927 2.368 ( 1.293 -1.139 2.803) 3.291 2.475 ( 0.623 -1.141 4.441) 4.627 2.569 ( -0.098 5.003 -2.382) 5.542 2.627 ( -3.101 -0.906 -3.848) 5.024 2.690 ( -5.425 -2.091 -1.158) 5.928 2.724 ( 3.816 0.312 1.259) 4.031 2.929 ( 4.516 1.235 0.541) 4.713 3.105 ( 2.643 2.178 -9.515) 10.113 3.116 ( 5.173 3.786 -3.874) 7.490 3.187 ( -0.269 1.554 -8.343) 8.491 3.217 ( 0.314 -0.834 -5.918) 5.985 3.380 ( 5.934 -3.638 -3.138) 7.635 3.427 ( -0.181 0.574 -1.387) 1.512 3.518 ( -0.923 1.467 4.212) 4.555 3.543 ( -1.990 0.965 2.307) 3.196 3.577 ( -1.551 -0.395 0.871) 1.822 3.585 ( -4.974 -1.968 2.522) 5.914 3.681 ( -3.742 -1.620 -1.454) 4.329 3.727 ( -0.219 -1.838 -1.207) 2.210 3.856 ( -3.881 2.036 -3.193) 5.422 3.916 ( -2.933 -1.137 -3.262) 4.531 3.944 ( -0.165 1.141 -0.679) 1.338 4.072 ( -1.163 0.289 1.218) 1.709 4.096 ( -2.977 -0.706 -2.379) 3.876 4.224 ( 0.751 -0.019 -1.495) 1.673 4.250 ( -1.018 -0.123 -2.312) 2.529 4.310 ( 2.821 -0.778 -1.902) 3.490 4.372 ( 1.689 0.533 -1.161) 2.117 4.408 ( -1.324 -0.793 -1.495) 2.148 4.566 ( 0.950 0.414 -6.414) 6.497 4.611 ( 0.102 -0.211 -3.936) 3.943 4.721 ( -0.260 -0.062 3.391) 3.402 4.778 ( 0.727 -0.382 4.047) 4.130 4.961 ( 0.141 -2.425 8.566) 8.904 5.180 ( 4.921 1.884 4.042) 6.642 5.300 ( -0.625 2.330 5.519) 6.023 5.435 ( 1.354 -1.673 -0.050) 2.152 5.521 ( -4.107 2.469 0.926) 4.881 5.570 ( -4.582 1.344 1.998) 5.176 5.646 ( -4.086 -0.938 -2.019) 4.653 5.702 ( 0.085 2.730 -1.650) 3.191 5.844 ( 1.253 -3.187 -3.707) 5.047 6.004 ( -0.862 0.403 1.712) 1.958 6.033 ( 2.005 -0.769 2.138) 3.031 6.406 ( 3.129 0.145 -10.541) 10.997 ======================= Grid point 84 (43/89) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 8.512 7.323 12.186) 16.570 1.197 ( 0.493 -1.210 4.899) 5.070 1.437 ( -2.630 2.269 5.007) 6.094 1.629 ( 5.889 3.732 20.645) 21.790 1.934 ( -0.328 -1.498 -1.528) 2.165 2.056 ( 1.288 0.915 6.882) 7.061 2.119 ( 0.827 -1.403 5.702) 5.930 2.133 ( 2.215 0.314 3.645) 4.277 2.201 ( -0.578 -2.204 6.555) 6.940 2.398 ( -1.070 1.801 6.969) 7.277 2.453 ( -2.096 3.754 -1.796) 4.660 2.491 ( -1.113 0.984 3.727) 4.012 2.614 ( -1.081 -1.185 -3.196) 3.576 2.649 ( -5.627 -2.660 -2.486) 6.702 2.765 ( 3.122 0.664 -0.193) 3.198 2.920 ( 0.031 3.843 -2.990) 4.869 3.091 ( 5.899 7.502 -7.402) 12.078 3.116 ( 0.762 2.974 -7.258) 7.880 3.169 ( 0.250 1.586 -5.565) 5.792 3.250 ( 0.451 -4.727 -1.169) 4.890 3.382 ( 0.648 0.498 3.049) 3.157 3.452 ( -1.253 1.297 0.624) 1.909 3.494 ( 0.385 -0.121 -0.825) 0.919 3.536 ( -2.417 1.739 -0.812) 3.086 3.572 ( -1.401 -3.107 1.887) 3.896 3.605 ( 3.207 -3.706 1.448) 5.110 3.675 ( -2.146 -3.615 -2.418) 4.850 3.739 ( -0.401 1.589 -1.895) 2.505 3.827 ( 0.140 -3.511 -4.276) 5.535 3.890 ( -2.910 -1.789 0.010) 3.416 3.953 ( 1.649 -0.192 -2.051) 2.639 4.057 ( -1.029 -0.693 -0.375) 1.296 4.073 ( -2.215 -1.231 -1.186) 2.798 4.224 ( -1.590 -0.668 -1.283) 2.149 4.231 ( -0.420 0.437 -4.305) 4.347 4.333 ( -0.767 0.637 -0.961) 1.385 4.402 ( 2.222 -0.400 -1.157) 2.537 4.407 ( 1.527 0.006 -1.621) 2.227 4.559 ( -0.021 1.140 -5.861) 5.971 4.603 ( -0.593 0.682 -4.680) 4.767 4.717 ( 0.215 0.474 2.530) 2.583 4.807 ( 0.544 -1.600 6.795) 7.002 4.979 ( -2.149 -1.379 8.875) 9.235 5.192 ( 1.802 3.816 6.887) 8.077 5.295 ( 1.442 -0.311 5.117) 5.325 5.447 ( 0.259 2.178 1.939) 2.928 5.476 ( -0.370 -1.128 0.344) 1.237 5.502 ( -0.936 2.025 -0.579) 2.305 5.599 ( -4.740 -2.788 -4.476) 7.091 5.684 ( -0.024 -0.268 1.456) 1.480 5.879 ( -0.240 0.006 -5.967) 5.972 6.005 ( 0.020 -2.243 1.478) 2.686 6.061 ( 1.360 0.642 2.001) 2.503 6.423 ( 1.545 1.989 -10.711) 11.003 ======================= Grid point 85 (44/89) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 2.917 12.588 14.276) 19.256 1.117 ( -5.913 7.207 8.397) 12.547 1.438 ( 1.646 -2.663 7.277) 7.921 1.672 ( 4.544 3.697 17.111) 18.086 1.895 ( -3.784 4.407 8.726) 10.482 2.075 ( 1.050 -2.772 0.813) 3.074 2.130 ( -0.393 1.557 2.601) 3.057 2.163 ( 0.594 -1.293 3.987) 4.233 2.232 ( 1.937 2.383 1.057) 3.248 2.313 ( 2.376 -0.348 7.180) 7.571 2.398 ( -3.429 2.262 5.342) 6.739 2.495 ( 0.297 -1.836 0.431) 1.909 2.596 ( -6.880 -1.545 -1.010) 7.123 2.624 ( 0.082 -1.330 -1.664) 2.132 2.789 ( 1.530 0.468 -0.079) 1.602 2.869 ( 0.924 3.320 -4.646) 5.785 3.064 ( 4.987 7.041 -7.098) 11.173 3.086 ( 0.052 1.647 -10.017) 10.152 3.141 ( 0.068 2.155 -4.840) 5.299 3.285 ( -1.117 0.285 -3.165) 3.368 3.399 ( -1.471 2.537 -2.804) 4.058 3.435 ( -2.896 2.686 1.032) 4.083 3.464 ( 1.069 -5.289 2.632) 6.004 3.521 ( 1.412 -1.827 1.353) 2.676 3.620 ( 1.264 -2.817 1.072) 3.269 3.657 ( -1.403 -3.235 2.375) 4.251 3.715 ( 2.014 -1.145 -2.533) 3.433 3.748 ( 1.543 -1.522 0.531) 2.231 3.872 ( -0.876 -2.528 -3.894) 4.724 3.904 ( -0.865 -4.484 0.772) 4.631 3.976 ( 2.323 0.422 -2.521) 3.454 4.063 ( -2.850 -2.469 -1.619) 4.104 4.082 ( 0.501 -2.275 0.186) 2.337 4.201 ( -1.115 -0.541 -1.456) 1.912 4.250 ( 1.678 -0.657 -3.540) 3.972 4.270 ( -3.176 2.894 -1.580) 4.578 4.419 ( 0.568 -0.230 -0.716) 0.942 4.450 ( 2.315 0.332 -2.097) 3.141 4.539 ( -0.288 1.081 -5.855) 5.961 4.588 ( 0.356 0.450 -4.193) 4.232 4.719 ( 0.967 0.301 2.867) 3.041 4.806 ( -2.321 0.728 5.516) 6.028 4.959 ( -1.561 -0.826 7.064) 7.281 5.127 ( -1.345 6.328 4.606) 7.941 5.319 ( 0.556 -0.252 6.644) 6.672 5.448 ( -0.654 0.153 -0.104) 0.680 5.459 ( 2.310 -0.589 0.665) 2.475 5.536 ( 0.407 -4.892 1.251) 5.065 5.620 ( -0.412 -4.394 -3.201) 5.452 5.706 ( 1.372 -1.464 1.981) 2.819 5.851 ( -1.329 1.485 -4.348) 4.783 6.033 ( 0.472 1.596 1.728) 2.399 6.059 ( 0.056 -0.667 0.966) 1.175 6.392 ( 0.224 3.513 -10.619) 11.188 ======================= Grid point 86 (45/89) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 4.493 11.628 15.431) 19.837 0.903 ( -6.541 10.060 13.877) 18.345 1.498 ( 1.316 -1.666 10.261) 10.479 1.608 ( -1.065 7.213 21.424) 22.631 1.812 ( -0.536 1.246 4.647) 4.841 2.026 ( -2.870 6.751 -5.083) 8.924 2.132 ( 0.167 -1.631 7.010) 7.199 2.205 ( 1.669 -1.225 8.217) 8.473 2.264 ( 2.177 -0.966 1.674) 2.911 2.313 ( 0.533 0.368 0.080) 0.653 2.469 ( 0.869 -7.767 7.971) 11.163 2.507 ( 0.061 0.920 3.598) 3.714 2.545 ( -0.488 -3.859 -5.097) 6.412 2.650 ( 1.218 -0.957 1.418) 2.100 2.794 ( -0.141 0.320 -0.707) 0.788 2.856 ( 2.265 1.688 -4.752) 5.528 3.003 ( -2.385 5.510 -5.806) 8.352 3.072 ( 1.547 1.703 -11.106) 11.342 3.127 ( 3.184 2.675 -5.528) 6.918 3.256 ( -0.552 2.576 -5.998) 6.551 3.285 ( -2.516 3.229 -8.023) 9.006 3.418 ( -0.453 0.163 3.097) 3.135 3.531 ( 1.434 -1.767 3.405) 4.096 3.575 ( -1.108 -3.627 1.451) 4.060 3.647 ( -0.132 0.392 0.786) 0.888 3.681 ( -1.745 -2.721 3.064) 4.454 3.755 ( 0.924 -0.957 -0.096) 1.334 3.798 ( 2.797 -2.760 0.206) 3.935 3.878 ( -3.377 -2.922 -0.718) 4.523 3.954 ( -0.424 -2.310 -0.147) 2.353 4.025 ( 2.549 -1.734 -5.373) 6.195 4.071 ( -0.239 -3.065 0.189) 3.080 4.097 ( -1.648 -1.772 1.157) 2.682 4.169 ( -2.001 2.206 -1.932) 3.550 4.235 ( 0.721 -0.803 -1.236) 1.641 4.292 ( 1.812 -0.730 -2.789) 3.405 4.393 ( -2.063 2.325 -2.427) 3.944 4.462 ( 0.858 0.614 -1.458) 1.800 4.528 ( 0.549 0.517 -6.449) 6.493 4.598 ( 1.124 0.211 -4.604) 4.744 4.731 ( 0.611 0.553 3.717) 3.807 4.763 ( -1.102 0.256 2.780) 3.001 4.976 ( 1.450 -0.269 4.850) 5.069 5.013 ( -2.406 4.447 2.380) 5.588 5.321 ( -1.607 -1.533 7.358) 7.686 5.450 ( 1.398 -0.213 0.162) 1.423 5.543 ( 3.108 -4.409 1.400) 5.573 5.595 ( -2.014 -5.099 1.184) 5.609 5.668 ( 0.484 -0.405 -1.740) 1.851 5.743 ( 0.958 -1.218 0.808) 1.748 5.828 ( 0.318 0.139 -2.584) 2.607 5.979 ( -0.683 4.517 2.997) 5.463 6.066 ( -0.756 0.079 1.349) 1.549 6.350 ( 0.774 2.720 -10.030) 10.421 ======================= Grid point 89 (46/89) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 7.174 -0.000 7.211) 10.172 1.159 ( 11.537 -0.000 4.858) 12.518 1.486 ( -5.397 0.000 4.475) 7.011 1.725 ( 3.760 -0.000 15.673) 16.117 1.916 ( 0.451 -0.000 -3.495) 3.523 2.040 ( 6.588 -0.000 12.164) 13.833 2.112 ( 0.911 -0.000 5.844) 5.915 2.145 ( -5.233 0.000 11.032) 12.210 2.157 ( 3.340 -0.000 7.146) 7.888 2.379 ( 2.117 -0.000 -1.783) 2.767 2.479 ( 1.167 -0.000 5.140) 5.271 2.577 ( -2.957 0.000 -3.373) 4.485 2.588 ( -2.110 0.000 -5.810) 6.181 2.617 ( -3.935 0.000 0.894) 4.036 2.787 ( 3.810 -0.000 1.961) 4.284 3.007 ( 3.956 -0.000 -0.464) 3.983 3.070 ( -3.061 0.000 -5.137) 5.980 3.169 ( 1.045 -0.000 -7.366) 7.439 3.192 ( -0.586 0.000 -4.100) 4.142 3.337 ( 6.022 -0.000 -6.396) 8.785 3.397 ( 0.308 -0.000 -5.776) 5.785 3.422 ( 3.289 -0.000 0.589) 3.341 3.494 ( -4.259 0.000 0.513) 4.289 3.519 ( -1.494 0.000 6.281) 6.456 3.527 ( -0.476 0.000 2.406) 2.452 3.572 ( -0.008 0.000 -0.011) 0.014 3.627 ( -2.363 0.000 -1.745) 2.938 3.711 ( 1.188 -0.000 -1.739) 2.106 3.828 ( -4.344 0.000 -0.615) 4.387 3.849 ( -3.638 0.000 -7.401) 8.247 3.944 ( 0.071 -0.000 -2.139) 2.140 4.050 ( -2.863 0.000 -1.045) 3.047 4.058 ( -1.128 0.000 0.563) 1.261 4.181 ( -5.375 0.000 -0.312) 5.384 4.235 ( -0.739 0.000 -3.170) 3.255 4.362 ( 3.503 -0.000 -3.259) 4.784 4.399 ( 1.987 -0.000 -0.703) 2.107 4.415 ( 2.586 -0.000 -1.394) 2.938 4.578 ( 0.394 -0.000 -6.119) 6.131 4.611 ( 0.004 -0.000 -3.048) 3.048 4.716 ( -0.303 0.000 5.287) 5.296 4.786 ( 0.741 -0.000 4.166) 4.231 4.940 ( -0.831 0.000 11.777) 11.806 5.239 ( 2.297 -0.000 3.444) 4.139 5.304 ( -1.275 0.000 4.992) 5.153 5.453 ( 1.727 -0.000 -2.615) 3.133 5.486 ( -4.555 0.000 0.678) 4.605 5.505 ( -3.619 0.000 0.716) 3.689 5.605 ( -1.288 0.000 1.006) 1.634 5.739 ( 0.059 -0.000 -6.609) 6.609 5.820 ( 1.009 -0.000 1.071) 1.471 5.967 ( -4.040 0.000 0.407) 4.061 6.066 ( 2.716 -0.000 0.922) 2.868 6.454 ( 3.371 -0.000 -11.308) 11.800 ======================= Grid point 90 (47/89) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 2.671 -0.007 7.465) 7.929 1.245 ( 6.193 6.370 5.177) 10.283 1.404 ( -5.068 0.565 3.558) 6.218 1.755 ( 4.296 1.844 13.884) 14.650 1.911 ( -0.844 -1.479 -0.015) 1.703 2.083 ( -0.746 0.811 10.574) 10.631 2.126 ( 1.507 -1.827 8.858) 9.169 2.151 ( 2.166 0.472 3.207) 3.899 2.203 ( 3.383 0.857 10.041) 10.630 2.417 ( 2.861 0.414 -0.404) 2.919 2.471 ( -2.003 4.010 1.057) 4.605 2.498 ( -2.168 2.139 2.855) 4.175 2.558 ( -3.474 -1.030 -0.504) 3.658 2.603 ( -0.352 -0.851 -6.998) 7.058 2.801 ( 0.043 0.911 0.170) 0.927 2.969 ( -1.231 3.807 -3.714) 5.460 3.095 ( -1.103 -3.306 -5.503) 6.513 3.167 ( -0.654 2.232 -4.233) 4.830 3.200 ( 1.579 -2.730 -1.384) 3.444 3.321 ( 5.145 6.559 -4.346) 9.401 3.391 ( -1.668 1.150 -1.551) 2.551 3.449 ( -0.346 1.709 0.853) 1.941 3.477 ( -0.982 -1.206 0.278) 1.579 3.518 ( -0.756 -2.113 5.001) 5.482 3.540 ( -0.758 1.738 -2.502) 3.139 3.584 ( 0.971 -3.822 -0.788) 4.021 3.642 ( 3.604 -2.414 -1.912) 4.740 3.752 ( -1.104 1.180 -1.219) 2.024 3.765 ( -0.491 -4.076 -0.919) 4.208 3.815 ( -3.847 -1.423 -4.722) 6.255 3.966 ( 1.987 -0.996 -4.525) 5.042 4.016 ( -3.032 -0.804 -1.058) 3.310 4.048 ( -0.166 -0.345 0.325) 0.502 4.132 ( -4.230 -3.131 -1.118) 5.380 4.230 ( -0.149 -0.509 -3.059) 3.105 4.361 ( -0.157 2.522 -2.619) 3.639 4.435 ( 1.909 0.978 -1.390) 2.556 4.451 ( 3.675 -0.002 -1.530) 3.981 4.571 ( -0.151 0.934 -5.627) 5.706 4.604 ( -0.417 0.421 -3.685) 3.733 4.717 ( -0.104 -0.441 5.823) 5.841 4.802 ( 0.593 -0.397 6.222) 6.263 4.937 ( -1.398 -0.983 12.049) 12.169 5.243 ( -0.258 2.153 3.641) 4.238 5.293 ( -0.498 -1.138 4.388) 4.561 5.429 ( -1.888 -0.056 0.586) 1.978 5.453 ( -1.609 -0.505 1.160) 2.047 5.492 ( -3.090 -3.715 -3.721) 6.099 5.604 ( 4.607 4.757 -0.875) 6.680 5.681 ( -1.960 2.723 -0.421) 3.381 5.876 ( 0.981 -0.988 -4.493) 4.704 5.935 ( -2.794 -4.914 1.760) 5.921 6.091 ( 1.365 0.661 0.319) 1.549 6.475 ( 1.769 1.910 -11.524) 11.814 ======================= Grid point 91 (48/89) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -1.335 7.120 7.141) 10.172 1.166 ( -1.011 10.603 8.888) 13.872 1.396 ( -0.648 -4.374 7.032) 8.307 1.791 ( 3.931 3.101 10.183) 11.347 1.895 ( -4.685 2.711 10.100) 11.459 2.076 ( 1.693 -0.299 3.718) 4.096 2.141 ( -1.395 0.081 1.624) 2.143 2.172 ( 3.494 0.387 4.624) 5.809 2.243 ( 0.960 -3.672 11.312) 11.932 2.363 ( -0.618 5.975 3.496) 6.950 2.400 ( -1.390 3.815 5.622) 6.935 2.496 ( 3.296 -0.022 -6.933) 7.677 2.529 ( -2.719 -0.337 1.544) 3.145 2.601 ( -1.058 -1.254 -3.389) 3.765 2.793 ( -1.131 -0.757 -0.518) 1.456 2.920 ( 0.253 2.345 -4.688) 5.248 3.089 ( -1.303 1.136 -6.796) 7.012 3.117 ( -1.085 2.710 -5.888) 6.572 3.265 ( 1.536 -1.245 -1.868) 2.720 3.296 ( 2.769 6.408 -3.831) 7.963 3.370 ( -2.206 -3.341 -0.553) 4.042 3.410 ( -2.660 2.449 -3.154) 4.798 3.450 ( 0.382 1.111 1.872) 2.210 3.507 ( -0.001 -0.739 0.963) 1.214 3.585 ( 1.482 -3.819 3.447) 5.354 3.620 ( -0.361 -2.071 -0.274) 2.120 3.731 ( 2.808 -1.528 -0.709) 3.275 3.759 ( 2.087 -1.224 0.786) 2.544 3.785 ( -4.413 -3.195 -2.448) 5.973 3.842 ( 2.059 -4.872 -3.327) 6.248 3.967 ( -4.115 -1.245 -4.207) 6.015 4.020 ( 2.082 -1.038 -1.991) 3.062 4.073 ( 1.179 -1.156 0.119) 1.656 4.154 ( 0.207 -3.799 -1.460) 4.076 4.239 ( -0.569 -0.426 -2.397) 2.501 4.305 ( -0.396 3.645 -2.445) 4.407 4.434 ( 0.444 1.004 -1.281) 1.687 4.483 ( 1.001 0.583 -2.128) 2.423 4.552 ( -0.102 1.316 -5.420) 5.579 4.600 ( 0.683 -0.043 -4.238) 4.293 4.730 ( 0.563 -0.712 6.215) 6.281 4.792 ( -1.321 1.355 5.470) 5.788 4.935 ( -0.233 -0.792 11.059) 11.090 5.190 ( -1.147 4.625 2.877) 5.566 5.298 ( -2.221 -1.198 4.676) 5.313 5.431 ( 0.446 -2.098 1.051) 2.389 5.460 ( -1.267 -2.403 -0.279) 2.731 5.499 ( -0.133 0.023 -2.019) 2.024 5.591 ( 2.027 0.165 -1.004) 2.268 5.686 ( 0.792 -2.940 1.971) 3.627 5.853 ( -1.268 1.254 -4.002) 4.381 6.008 ( 0.464 -4.690 0.627) 4.754 6.080 ( -0.014 2.324 0.337) 2.348 6.447 ( 0.245 3.507 -11.253) 11.789 ======================= Grid point 92 (49/89) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -5.141 10.085 14.719) 18.569 1.073 ( 5.719 9.308 7.397) 13.194 1.448 ( -1.665 -4.660 7.945) 9.360 1.680 ( -5.829 7.057 21.062) 22.965 1.859 ( 3.983 1.366 2.999) 5.170 2.078 ( -1.247 4.652 -5.037) 6.969 2.128 ( 0.612 -0.152 5.561) 5.597 2.206 ( -1.650 0.925 7.046) 7.295 2.282 ( 0.801 0.741 3.580) 3.743 2.313 ( -1.068 -6.114 6.031) 8.654 2.373 ( 1.598 2.858 5.104) 6.065 2.503 ( -0.884 -0.120 3.269) 3.388 2.582 ( 7.419 -2.743 -4.503) 9.102 2.636 ( 1.715 -3.736 -1.121) 4.261 2.777 ( -2.516 -0.201 -0.171) 2.530 2.900 ( 0.338 1.463 -4.858) 5.084 3.009 ( -5.099 4.349 -4.649) 8.156 3.087 ( 0.851 1.133 -8.189) 8.311 3.227 ( -1.557 3.603 -5.817) 7.018 3.284 ( 2.273 1.055 -6.384) 6.858 3.332 ( 1.275 3.121 -4.503) 5.625 3.406 ( -1.227 -1.054 1.974) 2.552 3.479 ( 0.427 -2.997 3.775) 4.839 3.524 ( 0.078 -1.397 1.072) 1.763 3.626 ( -1.350 -1.560 1.115) 2.345 3.651 ( 0.041 -2.068 3.345) 3.933 3.766 ( -0.520 -0.943 -0.458) 1.170 3.771 ( -2.397 -1.906 -2.065) 3.693 3.815 ( 3.248 -2.269 0.790) 4.040 3.915 ( -1.488 -1.096 -3.651) 4.092 3.944 ( -1.639 -4.059 -3.135) 5.385 4.070 ( 0.678 -1.278 0.495) 1.529 4.104 ( 3.421 -1.333 -2.901) 4.679 4.177 ( -1.654 2.306 -0.341) 2.858 4.219 ( 0.467 -1.815 -2.459) 3.092 4.301 ( 1.048 -0.142 -2.320) 2.550 4.406 ( -0.825 2.322 -1.957) 3.146 4.479 ( -0.222 0.631 -1.586) 1.721 4.540 ( 0.481 0.331 -5.367) 5.398 4.611 ( 0.490 -0.110 -5.823) 5.844 4.724 ( -1.990 -0.108 2.784) 3.424 4.782 ( 2.293 1.244 7.162) 7.622 4.967 ( 1.947 -2.090 8.798) 9.250 5.091 ( -0.885 6.712 2.826) 7.336 5.279 ( -2.069 -0.838 5.718) 6.139 5.465 ( 0.099 0.194 0.290) 0.363 5.502 ( -0.622 -4.465 0.683) 4.560 5.505 ( -0.148 -4.212 1.453) 4.459 5.642 ( 0.917 -2.806 -0.797) 3.058 5.731 ( -0.249 -1.524 1.234) 1.976 5.837 ( 0.826 -0.187 -5.377) 5.444 6.034 ( -0.435 3.426 1.252) 3.673 6.045 ( -0.677 -0.811 1.073) 1.506 6.401 ( 0.441 2.989 -10.313) 10.746 ======================= Grid point 96 (50/89) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 1.199 -0.000 8.433) 8.517 1.324 ( -1.738 0.000 4.643) 4.958 1.347 ( -3.563 0.000 1.758) 3.974 1.800 ( 2.690 -0.000 12.869) 13.147 1.885 ( -0.277 0.000 2.347) 2.364 2.083 ( 0.695 -0.000 8.668) 8.696 2.119 ( -0.310 0.000 4.605) 4.615 2.207 ( 3.003 -0.000 4.225) 5.183 2.248 ( -0.135 0.000 13.042) 13.042 2.450 ( -3.721 0.000 1.478) 4.003 2.484 ( 3.458 -0.000 0.613) 3.512 2.498 ( -0.542 0.000 3.897) 3.934 2.526 ( -0.858 0.000 -1.508) 1.735 2.585 ( -0.994 0.000 -8.342) 8.401 2.780 ( -3.687 0.000 -1.032) 3.829 2.964 ( -2.540 0.000 -4.474) 5.145 3.041 ( -1.095 0.000 -4.940) 5.060 3.193 ( 0.311 -0.000 0.507) 0.595 3.210 ( 3.193 -0.000 -3.447) 4.698 3.368 ( -0.331 0.000 -2.867) 2.886 3.405 ( -1.472 0.000 1.472) 2.082 3.424 ( -1.750 0.000 -1.314) 2.188 3.505 ( -0.847 0.000 1.516) 1.737 3.508 ( 1.684 -0.000 2.419) 2.948 3.517 ( -3.288 0.000 -4.967) 5.957 3.571 ( 2.373 -0.000 -2.064) 3.145 3.694 ( 6.376 -0.000 -0.677) 6.412 3.715 ( -2.543 0.000 1.198) 2.811 3.749 ( 2.219 -0.000 -2.230) 3.146 3.780 ( -1.082 0.000 -4.111) 4.251 3.957 ( -3.818 0.000 -1.716) 4.186 3.989 ( 2.152 -0.000 -6.236) 6.597 4.053 ( 1.044 -0.000 -0.073) 1.047 4.082 ( 0.529 -0.000 -1.431) 1.526 4.222 ( -0.092 0.000 -2.654) 2.656 4.377 ( -0.135 0.000 -1.754) 1.759 4.471 ( 0.278 -0.000 -2.213) 2.231 4.472 ( 1.049 -0.000 -2.025) 2.281 4.577 ( 0.094 -0.000 -6.321) 6.322 4.599 ( -0.594 0.000 -3.139) 3.194 4.711 ( -0.294 0.000 7.612) 7.617 4.811 ( 0.492 -0.000 7.541) 7.557 4.925 ( -0.084 0.000 12.375) 12.376 5.248 ( -1.479 0.000 1.450) 2.071 5.263 ( -1.887 0.000 4.496) 4.876 5.420 ( -0.184 0.000 0.094) 0.206 5.428 ( -1.079 0.000 0.731) 1.304 5.444 ( 0.796 -0.000 -2.440) 2.566 5.644 ( -1.371 0.000 2.159) 2.558 5.731 ( -0.170 0.000 -6.786) 6.788 5.843 ( -2.464 0.000 4.014) 4.709 5.890 ( 3.448 -0.000 -3.574) 4.966 6.108 ( 0.341 -0.000 -0.277) 0.439 6.500 ( -0.044 0.000 -11.767) 11.767 ======================= Grid point 97 (51/89) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -4.345 5.890 8.613) 11.303 1.221 ( -5.331 1.948 4.836) 7.457 1.346 ( 0.737 -1.994 6.808) 7.132 1.833 ( -1.986 2.045 15.674) 15.931 1.876 ( 0.052 0.548 1.736) 1.821 2.109 ( 2.879 0.243 5.168) 5.921 2.116 ( -0.492 -0.536 1.426) 1.601 2.198 ( -1.791 -0.167 9.828) 9.991 2.250 ( 1.734 -0.041 8.057) 8.242 2.372 ( -4.631 2.594 4.006) 6.650 2.470 ( -0.058 3.637 3.849) 5.296 2.491 ( -1.664 -1.352 0.333) 2.170 2.553 ( 1.848 1.783 -8.853) 9.218 2.569 ( 0.394 -2.199 0.115) 2.237 2.743 ( -2.960 -1.981 -1.295) 3.790 2.933 ( -0.920 1.443 -6.768) 6.981 3.037 ( -3.324 -2.477 -4.225) 5.919 3.168 ( 0.534 3.365 -3.113) 4.615 3.266 ( 2.913 0.340 0.336) 2.952 3.341 ( -1.862 1.858 -3.353) 4.262 3.365 ( -2.357 3.762 -3.218) 5.483 3.390 ( -1.605 -1.117 1.314) 2.356 3.444 ( -1.298 -0.622 -1.537) 2.105 3.526 ( -1.341 -2.679 -2.071) 3.642 3.568 ( 2.614 -2.676 3.957) 5.445 3.589 ( 1.790 0.859 -1.499) 2.488 3.700 ( -1.502 -0.839 0.517) 1.797 3.764 ( 3.721 0.840 -1.927) 4.274 3.782 ( 2.116 -0.811 -0.252) 2.280 3.835 ( 5.341 -3.639 -2.577) 6.958 3.917 ( -1.800 0.657 -3.592) 4.071 4.022 ( 1.219 -1.816 -5.092) 5.542 4.074 ( 0.783 -0.767 -0.409) 1.169 4.128 ( 2.709 -2.659 -1.327) 4.021 4.227 ( -0.112 -0.472 -2.133) 2.188 4.350 ( -0.313 3.315 -1.145) 3.521 4.453 ( 0.090 1.030 -1.428) 1.763 4.476 ( -1.911 -0.463 -2.527) 3.202 4.567 ( -0.189 1.139 -6.437) 6.540 4.598 ( -0.000 -0.643 -4.178) 4.227 4.713 ( -1.028 -0.666 6.318) 6.435 4.808 ( 0.326 0.431 8.194) 8.212 4.936 ( 1.020 -0.482 11.644) 11.698 5.221 ( -1.902 2.706 3.901) 5.114 5.242 ( -1.537 -1.694 1.664) 2.829 5.423 ( -0.018 -1.193 0.959) 1.530 5.427 ( 1.401 -0.292 -0.066) 1.432 5.494 ( 1.256 -1.189 -1.136) 2.069 5.604 ( -1.973 -0.197 0.632) 2.081 5.696 ( 1.527 2.330 -1.894) 3.369 5.831 ( -2.289 -1.325 -2.495) 3.636 5.975 ( 3.685 -2.971 0.246) 4.740 6.098 ( -0.855 0.989 -0.074) 1.310 6.472 ( -1.793 1.630 -11.505) 11.757 ======================= Grid point 98 (52/89) ======================= q-point: (-0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -7.531 6.939 15.598) 18.660 1.197 ( 0.899 0.412 2.547) 2.733 1.380 ( -0.036 -2.073 7.666) 7.942 1.668 ( -7.192 6.544 22.356) 24.379 1.914 ( 2.970 -0.712 -0.715) 3.137 2.093 ( -1.356 0.644 -2.157) 2.628 2.148 ( 1.919 1.363 5.972) 6.419 2.205 ( -3.998 1.780 7.640) 8.805 2.240 ( -1.691 -0.864 5.706) 6.014 2.318 ( 3.342 -0.648 2.848) 4.439 2.407 ( -3.663 1.558 4.207) 5.792 2.497 ( -0.988 -0.204 4.267) 4.384 2.599 ( 4.865 -6.464 -4.160) 9.097 2.638 ( 3.921 -1.557 -2.306) 4.808 2.732 ( -2.471 -0.878 0.260) 2.635 2.901 ( -1.179 0.412 -7.515) 7.618 2.979 ( -5.893 2.747 -3.570) 7.418 3.135 ( 1.051 2.935 -5.910) 6.682 3.197 ( -4.895 1.500 -6.433) 8.221 3.323 ( -0.115 0.921 -2.082) 2.279 3.355 ( 4.169 1.030 0.697) 4.351 3.393 ( -0.010 -0.196 2.003) 2.013 3.455 ( -0.863 -2.700 -0.514) 2.881 3.543 ( -2.176 -2.980 -1.707) 4.065 3.601 ( 2.722 1.560 0.281) 3.150 3.632 ( 1.849 -0.895 3.522) 4.077 3.690 ( -1.706 -1.504 -2.776) 3.588 3.792 ( 2.308 1.156 -0.915) 2.739 3.844 ( 3.014 -1.904 0.784) 3.650 3.882 ( -0.306 1.223 -5.021) 5.177 3.931 ( 2.604 -0.940 -0.800) 2.881 4.066 ( 0.885 -0.816 -0.830) 1.462 4.097 ( 0.870 -3.206 -4.422) 5.531 4.174 ( -1.305 0.543 0.383) 1.464 4.221 ( 1.134 0.030 -2.211) 2.485 4.323 ( 1.184 0.678 -1.372) 1.935 4.432 ( -0.087 1.984 -1.555) 2.523 4.458 ( -2.105 -0.811 -1.998) 3.013 4.549 ( -0.143 0.670 -6.081) 6.119 4.605 ( -0.391 -0.620 -5.934) 5.980 4.695 ( -1.564 -0.236 2.747) 3.170 4.827 ( 1.441 0.141 9.447) 9.558 4.974 ( 2.245 -1.794 7.896) 8.402 5.139 ( -2.678 3.494 6.101) 7.523 5.252 ( 0.104 -0.796 3.798) 3.882 5.451 ( -0.800 0.524 2.410) 2.593 5.459 ( 0.827 -1.649 -0.301) 1.869 5.476 ( 0.433 -1.399 -0.040) 1.465 5.637 ( 1.959 -1.027 -0.423) 2.252 5.705 ( -0.145 -1.141 -0.062) 1.152 5.831 ( 0.225 -1.739 -5.703) 5.967 6.028 ( 0.520 -0.315 1.398) 1.524 6.065 ( -0.881 1.510 0.685) 1.878 6.421 ( -1.711 1.289 -10.566) 10.781 ======================= Grid point 103 (53/89) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -9.918 0.000 12.244) 15.757 1.146 ( -7.744 0.000 4.438) 8.925 1.361 ( 2.955 -0.000 6.595) 7.226 1.826 ( -5.172 0.000 20.173) 20.825 1.898 ( 2.672 -0.000 -3.870) 4.703 2.111 ( 0.322 -0.000 0.090) 0.334 2.129 ( -6.799 0.000 10.637) 12.624 2.165 ( 4.475 -0.000 7.469) 8.707 2.257 ( 0.562 -0.000 8.882) 8.899 2.333 ( -3.639 0.000 5.733) 6.791 2.442 ( -4.241 0.000 -3.320) 5.386 2.477 ( -1.720 0.000 2.969) 3.431 2.536 ( -1.400 0.000 -3.305) 3.589 2.606 ( 3.740 -0.000 -3.498) 5.121 2.689 ( -1.544 0.000 -1.074) 1.881 2.950 ( 0.251 -0.000 -7.530) 7.534 2.964 ( -3.869 0.000 -3.659) 5.325 3.185 ( -0.872 0.000 -6.339) 6.399 3.312 ( -5.477 0.000 -0.963) 5.561 3.321 ( -1.684 0.000 -1.454) 2.225 3.364 ( 0.490 -0.000 0.016) 0.491 3.385 ( 2.702 -0.000 -0.799) 2.818 3.426 ( -1.545 0.000 -1.177) 1.942 3.433 ( -0.841 0.000 -5.209) 5.276 3.609 ( 4.530 -0.000 4.172) 6.158 3.626 ( 1.955 -0.000 -1.563) 2.503 3.724 ( 2.932 -0.000 3.107) 4.271 3.777 ( 0.786 -0.000 -0.983) 1.258 3.851 ( 4.767 -0.000 -1.933) 5.144 3.876 ( 5.246 -0.000 -0.566) 5.276 3.930 ( 2.083 -0.000 -3.440) 4.021 4.009 ( -0.352 0.000 -7.532) 7.540 4.076 ( 0.329 -0.000 0.880) 0.939 4.150 ( 2.747 -0.000 -0.954) 2.908 4.227 ( 0.719 -0.000 -2.091) 2.211 4.360 ( -2.624 0.000 0.335) 2.646 4.432 ( -1.886 0.000 -3.450) 3.932 4.468 ( 0.168 -0.000 -0.913) 0.929 4.569 ( -0.895 0.000 -8.921) 8.966 4.588 ( -0.186 0.000 -2.754) 2.760 4.703 ( -0.441 0.000 6.065) 6.081 4.797 ( -1.337 0.000 7.226) 7.348 4.948 ( 1.097 -0.000 10.606) 10.662 5.216 ( -1.273 0.000 0.976) 1.604 5.230 ( -0.141 0.000 5.244) 5.246 5.406 ( -0.234 0.000 0.109) 0.258 5.463 ( 3.056 -0.000 -0.785) 3.156 5.488 ( -1.654 0.000 0.833) 1.852 5.606 ( 4.169 -0.000 0.550) 4.205 5.731 ( 0.319 -0.000 -4.845) 4.856 5.782 ( -1.888 0.000 1.005) 2.139 6.013 ( 3.808 -0.000 0.254) 3.817 6.083 ( -2.174 0.000 0.492) 2.229 6.442 ( -3.583 0.000 -11.439) 11.987 ======================= Grid point 104 (54/89) ======================= q-point: (-0.17 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -10.906 3.874 15.876) 19.646 1.099 ( -7.806 -6.578 7.182) 12.481 1.403 ( 3.539 0.639 5.880) 6.892 1.686 ( -6.440 5.563 23.150) 24.665 1.931 ( 1.076 -0.147 -2.367) 2.605 2.065 ( -5.721 -3.438 4.301) 7.940 2.132 ( 1.171 -0.441 1.962) 2.327 2.196 ( 0.126 1.155 7.792) 7.878 2.250 ( -0.817 3.774 7.161) 8.136 2.332 ( 3.526 -3.801 6.170) 8.059 2.358 ( -5.700 1.419 -0.020) 5.874 2.465 ( -1.648 0.580 1.741) 2.467 2.571 ( 2.979 -5.914 -2.975) 7.259 2.660 ( 2.621 -0.893 -2.469) 3.710 2.701 ( 1.084 -1.760 0.183) 2.075 2.893 ( -2.258 1.579 -6.113) 6.705 2.945 ( -3.127 1.700 -4.913) 6.067 3.151 ( -3.697 1.732 -8.760) 9.665 3.178 ( -2.436 3.180 -7.074) 8.129 3.315 ( -2.635 -1.687 -0.633) 3.192 3.387 ( -0.327 -0.886 0.355) 1.009 3.397 ( -1.789 -4.209 -3.472) 5.742 3.432 ( 0.319 -1.370 1.491) 2.050 3.480 ( 6.055 2.012 -0.204) 6.384 3.641 ( 1.561 0.784 -0.666) 1.870 3.673 ( 3.219 0.103 2.610) 4.145 3.721 ( 3.013 3.405 0.731) 4.605 3.829 ( 0.281 -2.137 1.007) 2.379 3.859 ( 2.667 2.841 -1.477) 4.167 3.930 ( 0.926 2.791 -2.121) 3.626 3.963 ( 3.811 -0.949 -1.848) 4.341 4.056 ( 2.644 -4.744 -5.714) 7.883 4.081 ( 0.847 0.384 1.253) 1.561 4.166 ( -0.849 0.723 -0.159) 1.126 4.244 ( 1.933 0.489 -2.784) 3.425 4.314 ( -3.231 -0.978 0.607) 3.430 4.418 ( -0.479 -0.142 -2.918) 2.961 4.463 ( -0.141 1.062 -0.709) 1.284 4.547 ( -1.144 0.392 -8.397) 8.483 4.588 ( -0.445 -0.364 -4.313) 4.351 4.689 ( -0.049 0.837 3.450) 3.551 4.807 ( -1.136 -2.776 7.018) 7.632 4.970 ( 0.167 -1.511 5.897) 6.089 5.148 ( -2.839 3.724 4.361) 6.399 5.256 ( 1.518 -0.839 5.376) 5.648 5.429 ( -0.051 -2.926 0.330) 2.945 5.466 ( 0.600 1.785 1.955) 2.714 5.511 ( 4.310 0.120 -0.576) 4.350 5.666 ( 3.461 0.652 -0.379) 3.542 5.712 ( 0.038 1.802 0.074) 1.804 5.797 ( 0.159 -3.173 -3.329) 4.602 6.038 ( -1.414 0.693 2.200) 2.706 6.057 ( -0.081 -0.331 0.436) 0.553 6.390 ( -3.314 -0.192 -10.753) 11.254 ======================= Grid point 110 (55/89) ======================= q-point: (-0.17 -0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -11.897 0.000 12.044) 16.929 0.881 ( -8.942 0.000 17.655) 19.791 1.461 ( 3.867 -0.000 4.370) 5.835 1.602 ( -9.799 0.000 28.199) 29.853 1.932 ( -6.797 0.000 6.455) 9.374 1.952 ( 0.453 -0.000 -5.614) 5.633 2.184 ( 3.492 -0.000 1.898) 3.975 2.190 ( -1.346 0.000 9.124) 9.223 2.277 ( -1.030 0.000 6.202) 6.287 2.301 ( -2.940 0.000 -3.790) 4.797 2.372 ( 7.124 -0.000 8.802) 11.324 2.493 ( 1.043 -0.000 3.405) 3.561 2.536 ( 2.648 -0.000 -4.387) 5.124 2.691 ( 2.570 -0.000 -1.966) 3.236 2.717 ( 2.454 -0.000 -0.131) 2.458 2.862 ( -3.246 0.000 -3.845) 5.032 2.940 ( -0.859 0.000 -6.996) 7.049 3.098 ( -5.463 0.000 -8.463) 10.073 3.191 ( -5.001 0.000 -6.565) 8.253 3.198 ( -1.685 0.000 -7.443) 7.632 3.341 ( -2.461 0.000 -6.171) 6.644 3.398 ( 1.521 -0.000 1.998) 2.511 3.446 ( 2.348 -0.000 4.131) 4.752 3.567 ( 4.160 -0.000 0.097) 4.161 3.657 ( -0.291 0.000 -0.625) 0.690 3.731 ( 3.879 -0.000 3.156) 5.000 3.801 ( 0.847 -0.000 0.907) 1.241 3.806 ( 1.783 -0.000 1.011) 2.049 3.914 ( -0.135 0.000 1.857) 1.862 3.942 ( 0.934 -0.000 -1.202) 1.522 4.013 ( 2.503 -0.000 -7.257) 7.677 4.065 ( 5.660 -0.000 -0.928) 5.736 4.101 ( 1.495 -0.000 1.620) 2.204 4.172 ( 0.355 -0.000 -1.295) 1.343 4.240 ( -5.068 0.000 1.393) 5.256 4.278 ( 2.157 -0.000 -3.135) 3.805 4.424 ( 1.169 -0.000 -3.225) 3.431 4.452 ( -2.566 0.000 0.001) 2.566 4.530 ( -1.192 0.000 -9.026) 9.104 4.585 ( 0.139 -0.000 -4.347) 4.349 4.699 ( 0.184 -0.000 3.589) 3.593 4.773 ( -0.549 0.000 3.895) 3.933 4.946 ( -1.922 0.000 3.277) 3.799 5.127 ( -4.548 0.000 -0.134) 4.550 5.297 ( 5.254 -0.000 8.112) 9.665 5.403 ( -0.146 0.000 1.831) 1.837 5.516 ( 3.677 -0.000 1.577) 4.000 5.557 ( 3.115 -0.000 -0.376) 3.137 5.719 ( 1.151 -0.000 1.097) 1.590 5.735 ( -0.090 0.000 -1.789) 1.791 5.779 ( 3.063 -0.000 -0.443) 3.095 5.991 ( -4.673 0.000 3.029) 5.569 6.066 ( 0.266 -0.000 1.623) 1.644 6.343 ( -2.537 0.000 -10.504) 10.806 ======================= Grid point 111 (56/89) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.304 0.000 19.179) 19.181 1.096 ( -3.235 0.000 18.981) 19.255 1.596 ( 4.532 -0.000 -2.100) 4.995 1.666 ( -1.659 0.000 -9.277) 9.424 1.899 ( -1.560 0.000 4.662) 4.916 1.990 ( -4.903 0.000 9.996) 11.134 2.305 ( 7.737 -0.000 4.366) 8.884 2.334 ( 3.064 -0.000 2.724) 4.100 2.340 ( -1.328 0.000 7.447) 7.565 2.363 ( -4.092 0.000 7.227) 8.305 2.557 ( 0.541 -0.000 4.512) 4.544 2.604 ( -0.474 0.000 -5.514) 5.534 2.619 ( 5.374 -0.000 0.754) 5.426 2.664 ( -0.357 0.000 -4.212) 4.227 2.754 ( -3.544 0.000 -1.155) 3.727 2.826 ( 1.955 -0.000 -5.049) 5.414 2.867 ( 4.487 -0.000 9.148) 10.189 2.895 ( -1.844 0.000 -10.706) 10.864 2.936 ( 2.186 -0.000 2.402) 3.247 2.986 ( -0.257 0.000 -8.390) 8.394 3.124 ( -3.394 0.000 -7.665) 8.383 3.450 ( 0.364 -0.000 -3.945) 3.962 3.571 ( 0.821 -0.000 0.956) 1.260 3.603 ( -0.045 0.000 -0.947) 0.948 3.690 ( 0.779 -0.000 4.842) 4.905 3.781 ( -3.956 0.000 -1.552) 4.249 3.798 ( -2.176 0.000 1.183) 2.477 3.841 ( 0.121 -0.000 0.769) 0.778 3.905 ( 4.119 -0.000 -0.445) 4.143 3.972 ( -0.709 0.000 1.976) 2.099 4.022 ( -0.400 0.000 1.838) 1.881 4.129 ( -0.624 0.000 -2.369) 2.450 4.129 ( -1.579 0.000 0.784) 1.763 4.171 ( 1.500 -0.000 0.231) 1.518 4.211 ( 0.070 -0.000 1.398) 1.400 4.222 ( 0.056 -0.000 -5.853) 5.853 4.296 ( -2.084 0.000 -6.776) 7.090 4.362 ( 1.966 -0.000 -6.446) 6.739 4.403 ( -0.503 0.000 -1.285) 1.380 4.476 ( 0.511 -0.000 -4.156) 4.187 4.819 ( 0.698 -0.000 5.822) 5.864 4.825 ( -0.534 0.000 3.322) 3.365 4.903 ( -0.035 0.000 -0.130) 0.134 5.013 ( 0.137 -0.000 -3.517) 3.520 5.483 ( -0.988 0.000 5.676) 5.761 5.492 ( 1.409 -0.000 2.429) 2.808 5.621 ( 2.119 -0.000 -1.488) 2.589 5.669 ( -0.008 0.000 5.107) 5.107 5.700 ( -0.541 0.000 -3.378) 3.421 5.734 ( -0.057 0.000 2.950) 2.950 5.843 ( -0.154 0.000 -0.082) 0.174 5.988 ( -0.486 0.000 2.890) 2.931 6.087 ( -0.360 0.000 0.853) 0.926 6.127 ( 0.939 -0.000 -8.995) 9.044 ======================= Grid point 112 (57/89) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.197 -3.537 17.720) 18.071 1.116 ( 3.289 -5.061 17.373) 18.392 1.654 ( 3.154 0.713 0.154) 3.237 1.694 ( 1.990 -4.270 -8.437) 9.663 1.890 ( 0.971 0.383 3.584) 3.733 1.944 ( -3.918 -1.210 6.880) 8.009 2.275 ( -2.945 2.588 5.762) 6.969 2.325 ( -1.617 1.775 5.588) 6.082 2.341 ( 0.820 1.161 2.307) 2.710 2.436 ( 6.375 -2.476 7.748) 10.335 2.531 ( -2.440 3.758 -0.178) 4.484 2.575 ( 1.176 -0.480 3.540) 3.761 2.660 ( -0.839 0.164 0.475) 0.978 2.665 ( -0.631 0.078 -3.222) 3.284 2.742 ( -0.324 -2.355 -3.132) 3.932 2.828 ( 3.272 4.619 -1.461) 5.846 2.879 ( 1.862 0.731 -9.441) 9.650 2.930 ( 2.250 -1.153 7.401) 7.821 3.003 ( 2.290 -2.832 -7.235) 8.100 3.057 ( 4.786 -6.260 -3.150) 8.486 3.098 ( -0.949 -2.000 -8.176) 8.470 3.439 ( -0.446 1.352 -4.088) 4.329 3.583 ( -1.166 0.457 -0.044) 1.254 3.599 ( -0.003 -0.932 -0.190) 0.951 3.684 ( -1.955 0.557 3.197) 3.789 3.717 ( -2.472 1.248 -0.511) 2.816 3.769 ( -2.441 -0.439 1.440) 2.868 3.828 ( -1.113 0.996 2.044) 2.531 3.913 ( 1.320 3.505 1.116) 3.909 3.947 ( -5.462 1.867 1.519) 5.969 3.975 ( -1.192 0.423 0.218) 1.283 4.088 ( -2.181 2.877 -1.643) 3.967 4.128 ( 0.210 0.316 1.273) 1.329 4.168 ( 1.634 1.096 0.096) 1.970 4.204 ( -1.856 1.769 -5.579) 6.140 4.225 ( 0.691 -1.026 -2.056) 2.400 4.296 ( 0.759 -2.380 -4.217) 4.901 4.386 ( 1.637 -0.284 -6.660) 6.864 4.417 ( 0.050 -1.309 -1.535) 2.018 4.488 ( 0.358 -0.574 -3.951) 4.008 4.811 ( -0.373 0.737 4.282) 4.361 4.856 ( 1.361 -2.683 5.749) 6.489 4.947 ( 2.689 -2.711 -0.155) 3.822 5.044 ( 4.073 -1.494 -2.610) 5.063 5.444 ( -2.331 2.378 4.822) 5.860 5.498 ( -0.292 -0.106 2.566) 2.585 5.608 ( -1.723 3.053 -1.388) 3.770 5.656 ( 0.306 2.872 -1.568) 3.287 5.680 ( -0.140 -0.954 3.108) 3.254 5.751 ( -1.108 -1.273 3.843) 4.197 5.806 ( -2.368 2.343 -1.697) 3.739 6.009 ( 0.996 -1.758 1.748) 2.672 6.072 ( -1.074 1.077 -0.159) 1.529 6.155 ( 2.108 -1.609 -7.843) 8.279 ======================= Grid point 113 (58/89) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 1.905 -4.343 15.519) 16.227 1.261 ( 4.503 -5.915 14.239) 16.062 1.637 ( -1.199 3.842 5.865) 7.113 1.790 ( 1.836 -4.915 -6.188) 8.113 1.905 ( -3.912 -0.496 2.354) 4.592 1.936 ( 5.159 -0.752 -1.937) 5.562 2.206 ( -3.254 1.579 4.080) 5.452 2.265 ( -1.414 2.872 5.624) 6.471 2.341 ( 0.567 -0.014 2.485) 2.548 2.456 ( -0.273 3.818 3.287) 5.045 2.559 ( 3.198 -4.200 6.255) 8.185 2.587 ( -0.694 0.529 5.411) 5.481 2.631 ( 0.706 1.608 -2.232) 2.840 2.662 ( -1.776 -1.278 -1.974) 2.947 2.750 ( -3.333 -2.449 -1.035) 4.263 2.806 ( 4.748 5.887 -0.563) 7.584 2.892 ( 2.189 1.796 -6.296) 6.904 2.977 ( 1.067 -1.877 1.311) 2.526 3.049 ( -0.068 -0.993 -4.150) 4.268 3.150 ( 3.052 -4.816 -5.606) 7.996 3.241 ( 7.067 -6.192 -5.059) 10.672 3.411 ( -0.352 1.267 -3.851) 4.070 3.547 ( -0.947 1.559 -0.078) 1.826 3.572 ( -3.387 2.094 1.066) 4.122 3.656 ( -1.882 -0.192 0.728) 2.027 3.671 ( -1.772 1.396 -0.278) 2.272 3.766 ( -1.983 -2.301 1.219) 3.273 3.788 ( -1.474 1.605 4.483) 4.984 3.802 ( -6.293 3.162 0.251) 7.047 3.901 ( 1.007 2.340 0.452) 2.587 3.958 ( 0.239 0.469 0.836) 0.988 4.039 ( -0.668 0.845 -3.053) 3.238 4.111 ( -0.730 0.947 2.243) 2.542 4.151 ( -1.620 1.625 -4.277) 4.854 4.190 ( 1.371 0.217 -1.790) 2.265 4.257 ( 2.370 -0.892 -2.752) 3.740 4.339 ( 0.824 -2.152 -4.096) 4.699 4.403 ( 0.569 0.125 -6.188) 6.215 4.422 ( -0.865 -0.240 -1.982) 2.176 4.488 ( -0.908 0.043 -3.914) 4.018 4.796 ( -0.233 0.990 4.790) 4.897 4.914 ( 0.185 -2.957 3.998) 4.976 5.020 ( 3.853 -2.417 2.696) 5.288 5.178 ( 8.091 -5.043 1.070) 9.593 5.382 ( -1.739 2.270 4.280) 5.147 5.477 ( -1.745 1.328 0.461) 2.241 5.547 ( -1.117 1.733 1.454) 2.522 5.586 ( -3.595 5.784 -0.171) 6.813 5.680 ( 0.248 0.522 0.568) 0.810 5.697 ( -5.700 0.766 -0.124) 5.752 5.785 ( 1.352 0.340 0.079) 1.396 6.022 ( -1.088 -0.137 -2.540) 2.767 6.071 ( 1.453 -0.804 2.527) 3.023 6.203 ( 1.418 -1.532 -7.466) 7.752 ======================= Grid point 114 (59/89) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 1.063 -2.454 15.443) 15.672 1.352 ( 1.168 0.089 11.844) 11.902 1.555 ( -2.186 2.985 7.550) 8.408 1.834 ( -1.836 0.719 0.533) 2.042 1.891 ( -0.218 -4.393 -7.244) 8.475 2.006 ( 5.047 0.925 -3.799) 6.385 2.159 ( -1.891 -0.043 5.112) 5.451 2.243 ( 0.004 -0.720 4.838) 4.891 2.350 ( -1.522 -0.930 4.974) 5.284 2.410 ( 1.225 3.037 4.072) 5.225 2.545 ( -1.002 2.909 3.443) 4.617 2.617 ( -0.970 -0.896 -1.275) 1.836 2.631 ( -0.059 -1.145 4.520) 4.663 2.674 ( 0.833 -1.193 -1.538) 2.118 2.721 ( -2.404 1.046 -0.664) 2.704 2.802 ( 1.793 1.213 0.889) 2.340 2.882 ( 1.398 3.086 -1.830) 3.851 2.990 ( -1.832 -0.402 -1.682) 2.519 3.016 ( -2.093 2.452 -4.591) 5.610 3.267 ( 2.389 -3.668 -1.575) 4.652 3.349 ( 1.563 -0.238 -7.122) 7.295 3.414 ( 1.652 0.438 -3.437) 3.838 3.497 ( -1.443 1.541 1.450) 2.561 3.516 ( -1.040 1.481 0.468) 1.870 3.634 ( -1.460 0.316 1.299) 1.979 3.646 ( 0.452 -1.903 1.122) 2.254 3.728 ( 0.366 -0.330 -2.892) 2.934 3.761 ( -0.178 -0.570 2.493) 2.563 3.798 ( -0.692 -2.628 1.604) 3.155 3.887 ( 0.526 1.324 0.253) 1.447 3.980 ( 1.316 -1.727 0.214) 2.182 4.036 ( 1.961 1.352 -2.429) 3.402 4.091 ( -1.542 -0.600 1.045) 1.957 4.125 ( -0.779 -0.121 -0.979) 1.257 4.193 ( 0.158 0.333 -2.134) 2.165 4.301 ( 2.601 0.169 -4.315) 5.041 4.368 ( -0.555 -1.338 -6.376) 6.539 4.375 ( -2.085 1.381 -3.814) 4.561 4.425 ( 1.063 -0.220 -1.522) 1.869 4.467 ( -1.368 0.221 -4.298) 4.516 4.784 ( 0.416 0.781 5.320) 5.393 4.938 ( -0.647 -1.655 0.303) 1.802 5.083 ( 0.310 0.749 7.935) 7.976 5.329 ( -1.931 3.966 5.476) 7.032 5.352 ( 6.690 -2.844 5.205) 8.941 5.431 ( -1.031 0.623 -2.551) 2.821 5.467 ( -2.417 1.279 -0.515) 2.782 5.517 ( -0.627 0.724 0.680) 1.174 5.642 ( -3.253 -2.838 -2.321) 4.902 5.686 ( 2.245 0.843 0.846) 2.543 5.792 ( 0.787 1.052 0.497) 1.405 6.017 ( -0.095 -0.482 -2.987) 3.027 6.093 ( 0.490 0.003 2.471) 2.519 6.219 ( -0.461 0.165 -7.459) 7.475 ======================= Grid point 115 (60/89) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -4.192 3.893 18.749) 19.603 1.306 ( -2.901 4.098 12.526) 13.495 1.528 ( 1.049 0.667 3.001) 3.248 1.789 ( -1.676 1.687 -4.228) 4.851 1.941 ( -1.127 -2.158 -7.869) 8.237 2.074 ( 6.094 -1.188 2.191) 6.584 2.141 ( -2.948 -0.679 4.786) 5.662 2.257 ( 0.039 0.044 5.026) 5.027 2.327 ( -1.416 -1.029 6.776) 6.999 2.425 ( 1.610 -1.485 7.703) 8.009 2.489 ( -1.279 3.513 2.232) 4.354 2.598 ( -1.080 2.249 8.460) 8.820 2.615 ( -1.181 -0.353 -0.970) 1.568 2.699 ( 1.945 0.911 -2.463) 3.268 2.701 ( 0.243 -1.005 -4.934) 5.042 2.814 ( -2.005 -2.639 4.449) 5.547 2.848 ( 1.847 3.913 0.833) 4.407 2.933 ( -2.241 2.594 -5.393) 6.390 2.981 ( -1.291 0.206 -5.838) 5.983 3.247 ( -3.725 1.789 -3.221) 5.239 3.262 ( -5.991 7.186 -7.356) 11.901 3.425 ( 1.757 0.261 -5.786) 6.053 3.527 ( 2.388 -0.315 2.678) 3.602 3.549 ( 4.399 -2.438 1.851) 5.359 3.637 ( 0.922 -0.927 0.105) 1.312 3.711 ( 2.576 -4.965 1.431) 5.774 3.776 ( 2.425 -1.023 2.113) 3.375 3.785 ( 0.093 -3.002 -2.386) 3.836 3.824 ( -0.971 -2.383 1.867) 3.180 3.877 ( 0.901 0.982 0.606) 1.464 4.031 ( 1.078 -2.488 -1.771) 3.238 4.047 ( 2.603 1.495 -0.678) 3.078 4.104 ( 0.496 -2.593 -0.747) 2.743 4.128 ( 0.777 -0.584 1.910) 2.143 4.194 ( -0.057 -0.542 -2.308) 2.372 4.303 ( 0.332 2.275 -6.514) 6.908 4.317 ( -3.255 0.408 -2.970) 4.425 4.368 ( -0.509 1.015 -7.124) 7.214 4.441 ( -0.146 -0.829 -0.655) 1.067 4.465 ( 0.979 -0.294 -3.614) 3.756 4.792 ( 1.248 -0.068 5.555) 5.694 4.945 ( -1.081 -0.596 0.318) 1.275 4.990 ( -4.900 5.542 5.848) 9.430 5.187 ( -6.121 6.289 0.228) 8.779 5.396 ( 2.242 -0.382 3.532) 4.201 5.478 ( 1.810 -1.988 0.858) 2.822 5.487 ( 1.004 -0.819 2.300) 2.640 5.577 ( 5.571 -4.614 2.358) 7.608 5.654 ( -1.027 -1.946 -1.603) 2.722 5.732 ( 2.574 -1.751 3.717) 4.848 5.780 ( 0.508 1.318 -1.470) 2.039 6.033 ( 1.234 -0.979 -3.940) 4.244 6.080 ( -1.128 1.335 2.583) 3.119 6.186 ( -1.920 1.754 -6.947) 7.417 ======================= Grid point 116 (61/89) ======================= q-point: (-0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -3.537 4.118 18.833) 19.600 1.185 ( -5.672 4.065 17.369) 18.718 1.549 ( 3.059 0.521 -1.373) 3.393 1.727 ( -2.590 3.168 -8.712) 9.626 1.924 ( -2.927 -0.816 0.653) 3.108 2.073 ( -5.687 1.457 10.689) 12.195 2.189 ( 6.425 -2.334 0.747) 6.876 2.280 ( 3.921 -0.270 4.699) 6.126 2.339 ( -1.505 -2.117 7.513) 7.949 2.427 ( -2.379 2.147 5.552) 6.410 2.496 ( 3.388 -4.049 4.458) 6.910 2.569 ( 0.346 1.632 4.428) 4.732 2.614 ( 0.836 0.448 -3.275) 3.410 2.688 ( 0.513 2.556 -1.392) 2.956 2.739 ( 1.114 -3.054 -3.481) 4.763 2.817 ( -0.375 -0.935 5.507) 5.599 2.851 ( 2.511 3.078 1.137) 4.132 2.880 ( -2.247 -1.522 -8.230) 8.666 2.961 ( -1.078 0.509 -5.470) 5.598 3.077 ( -4.622 7.753 -6.727) 11.257 3.177 ( -3.659 0.773 -6.000) 7.070 3.439 ( 0.762 -0.171 -3.928) 4.005 3.560 ( 2.251 0.573 2.011) 3.072 3.598 ( 1.001 0.053 -0.264) 1.036 3.668 ( 1.661 -0.564 1.565) 2.351 3.804 ( -1.303 -2.333 -4.520) 5.251 3.813 ( -0.130 -1.672 2.675) 3.158 3.822 ( 0.356 -2.033 3.996) 4.498 3.842 ( 2.882 -1.046 0.286) 3.079 3.917 ( 2.892 -3.558 -0.165) 4.589 4.031 ( -0.673 0.746 2.596) 2.784 4.096 ( 1.240 -2.893 -2.327) 3.914 4.133 ( 2.358 0.236 -0.135) 2.373 4.165 ( 0.512 0.184 0.751) 0.927 4.209 ( 0.630 -1.395 -2.974) 3.344 4.244 ( -2.120 2.529 -0.027) 3.300 4.303 ( -1.327 -1.891 -7.355) 7.709 4.345 ( 0.628 1.173 -8.829) 8.929 4.433 ( -1.167 1.011 -0.086) 1.546 4.476 ( 0.507 0.369 -3.999) 4.048 4.812 ( 1.111 0.013 5.429) 5.541 4.860 ( -3.452 2.880 5.280) 6.934 4.933 ( -1.290 1.427 -1.024) 2.179 5.049 ( -3.942 2.656 -2.510) 5.376 5.448 ( 3.026 -1.347 3.597) 4.890 5.488 ( -0.433 -0.213 4.677) 4.702 5.560 ( 3.572 -2.920 -0.119) 4.615 5.657 ( 2.136 0.417 2.077) 3.008 5.685 ( -0.473 -2.652 0.150) 2.698 5.748 ( 0.513 1.051 2.117) 2.419 5.809 ( 2.167 -1.961 -0.032) 2.923 6.026 ( -2.154 2.117 2.219) 3.748 6.078 ( 1.536 -1.241 -1.867) 2.717 6.135 ( -1.409 1.500 -7.261) 7.547 ======================= Grid point 118 (62/89) ======================= q-point: ( 0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 4.233 -0.000 15.128) 15.709 1.141 ( 6.268 -0.000 16.328) 17.489 1.692 ( 3.541 -0.000 -10.326) 10.916 1.710 ( 1.432 -0.000 4.896) 5.101 1.900 ( -2.013 0.000 6.593) 6.893 1.928 ( 4.822 -0.000 -0.286) 4.831 2.256 ( -2.004 0.000 5.690) 6.032 2.288 ( -2.732 0.000 6.629) 7.170 2.377 ( -0.411 0.000 1.977) 2.019 2.462 ( -0.017 0.000 6.563) 6.563 2.563 ( 0.175 -0.000 3.648) 3.652 2.571 ( -3.371 0.000 -0.764) 3.457 2.598 ( 0.636 -0.000 1.847) 1.953 2.683 ( 2.291 -0.000 -0.977) 2.491 2.727 ( -0.584 0.000 0.128) 0.598 2.895 ( 2.294 -0.000 -8.007) 8.329 2.951 ( 1.346 -0.000 3.082) 3.363 2.989 ( 7.418 -0.000 -6.629) 9.948 3.010 ( 3.054 -0.000 -4.729) 5.629 3.072 ( 1.595 -0.000 -10.527) 10.647 3.083 ( 6.451 -0.000 -0.524) 6.473 3.442 ( -0.713 0.000 -4.661) 4.715 3.579 ( -0.104 0.000 0.210) 0.234 3.586 ( -0.859 0.000 -1.041) 1.350 3.657 ( -3.605 0.000 3.964) 5.358 3.658 ( -4.836 0.000 -1.668) 5.116 3.735 ( -2.788 0.000 1.729) 3.281 3.816 ( -1.772 0.000 3.482) 3.907 3.857 ( -8.914 0.000 2.467) 9.249 3.922 ( -2.920 0.000 0.257) 2.932 3.965 ( -0.048 0.000 -0.066) 0.081 4.091 ( -1.974 0.000 -1.273) 2.349 4.130 ( -0.964 0.000 1.982) 2.204 4.181 ( 0.261 -0.000 -3.045) 3.056 4.222 ( 1.311 -0.000 -2.285) 2.634 4.226 ( 0.360 -0.000 -1.422) 1.467 4.283 ( 1.979 -0.000 -5.746) 6.077 4.376 ( -0.688 0.000 -4.108) 4.165 4.433 ( 1.625 -0.000 -3.143) 3.538 4.488 ( 0.066 -0.000 -4.419) 4.420 4.841 ( 1.690 -0.000 4.288) 4.609 4.841 ( 1.030 -0.000 6.629) 6.709 4.989 ( 5.269 -0.000 1.005) 5.364 5.094 ( 5.632 -0.000 -4.191) 7.020 5.445 ( -1.647 0.000 3.514) 3.881 5.463 ( -2.789 0.000 3.948) 4.834 5.606 ( -2.765 0.000 -1.286) 3.049 5.618 ( -4.953 0.000 -2.062) 5.366 5.676 ( -0.071 0.000 1.224) 1.226 5.740 ( -3.492 0.000 4.290) 5.532 5.796 ( 0.650 -0.000 -0.831) 1.055 6.019 ( 1.923 -0.000 0.330) 1.952 6.074 ( -1.115 0.000 1.551) 1.910 6.162 ( 2.119 -0.000 -9.170) 9.412 ======================= Grid point 119 (63/89) ======================= q-point: ( 0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 6.884 -0.499 13.025) 14.740 1.265 ( 5.902 -3.904 13.094) 14.884 1.665 ( -3.328 3.387 7.268) 8.682 1.765 ( 2.106 -3.293 -8.437) 9.298 1.876 ( -0.155 1.675 4.167) 4.494 2.021 ( 7.717 -0.276 -5.960) 9.755 2.214 ( -0.597 2.961 6.117) 6.822 2.282 ( 0.277 0.639 7.298) 7.331 2.325 ( -3.297 1.131 3.179) 4.718 2.464 ( -2.327 -2.469 3.637) 4.974 2.534 ( -1.646 -0.580 -0.124) 1.750 2.581 ( -0.580 -0.670 3.533) 3.642 2.597 ( -0.247 -1.270 4.415) 4.600 2.695 ( -2.496 1.502 1.499) 3.276 2.724 ( 5.119 3.486 0.553) 6.218 2.922 ( 2.483 1.041 -6.170) 6.732 2.958 ( -0.345 0.434 -3.956) 3.994 3.005 ( 4.676 5.561 -3.873) 8.233 3.065 ( 3.328 -1.556 -2.119) 4.241 3.126 ( 3.964 -2.262 -4.400) 6.340 3.252 ( 7.124 -6.573 -6.326) 11.575 3.423 ( -0.271 0.916 -3.841) 3.958 3.548 ( -3.995 1.889 -0.561) 4.455 3.558 ( -1.077 1.783 -0.842) 2.247 3.604 ( -2.366 -1.581 -0.628) 2.914 3.645 ( -3.664 -2.404 2.573) 5.082 3.692 ( -3.393 -0.418 1.728) 3.831 3.734 ( -5.330 0.301 1.578) 5.567 3.794 ( -1.452 0.998 3.931) 4.308 3.896 ( -3.320 -2.527 -0.502) 4.202 3.945 ( -0.611 1.421 0.425) 1.604 4.055 ( -1.212 1.190 -0.311) 1.726 4.107 ( -1.602 0.284 2.289) 2.808 4.162 ( -0.391 1.812 -4.625) 4.983 4.216 ( 0.041 0.792 -2.183) 2.323 4.273 ( 1.901 -2.677 -1.890) 3.788 4.318 ( 1.418 -0.493 -5.656) 5.852 4.377 ( -0.181 -0.775 -1.948) 2.104 4.441 ( 0.643 0.814 -3.727) 3.869 4.481 ( -0.673 0.404 -5.518) 5.573 4.829 ( 1.351 2.311 5.904) 6.483 4.901 ( 2.221 -2.054 5.992) 6.713 5.054 ( 4.185 -0.201 1.995) 4.640 5.213 ( 6.821 -4.836 -1.519) 8.498 5.394 ( -1.371 2.211 3.700) 4.523 5.455 ( -1.762 -1.463 1.925) 2.992 5.534 ( -3.181 1.164 0.629) 3.445 5.573 ( -5.454 0.036 -3.228) 6.338 5.614 ( -5.710 4.144 1.762) 7.272 5.689 ( -1.858 -0.752 -1.158) 2.315 5.818 ( 2.340 0.693 2.101) 3.220 6.028 ( 0.046 1.145 -0.519) 1.258 6.072 ( 0.462 -1.622 1.604) 2.327 6.199 ( 1.696 -0.878 -9.419) 9.610 ======================= Grid point 120 (64/89) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 5.828 1.430 12.726) 14.070 1.364 ( 2.020 -1.168 12.130) 12.352 1.564 ( -3.587 2.779 7.753) 8.983 1.811 ( -2.081 -2.130 -2.676) 4.004 1.871 ( 3.709 0.882 -4.205) 5.676 2.096 ( 4.700 2.044 -9.181) 10.515 2.182 ( 0.866 2.148 5.476) 5.946 2.245 ( -0.901 0.899 7.101) 7.214 2.327 ( 1.606 -0.058 7.453) 7.624 2.453 ( -1.334 0.932 2.137) 2.686 2.537 ( -2.460 -3.560 2.347) 4.922 2.566 ( -0.339 0.719 1.384) 1.596 2.611 ( -1.124 0.203 7.977) 8.059 2.645 ( -3.103 -0.346 2.115) 3.771 2.727 ( 2.644 2.711 -1.753) 4.173 2.917 ( -0.163 2.696 -0.112) 2.703 2.926 ( 1.489 4.138 -8.622) 9.679 2.977 ( -0.255 2.229 -3.734) 4.356 3.089 ( 4.340 5.809 -1.720) 7.452 3.234 ( 1.721 -4.688 -0.594) 5.029 3.361 ( 0.717 -0.337 -8.210) 8.248 3.436 ( 0.727 -0.330 -5.742) 5.797 3.471 ( -3.158 -0.647 1.694) 3.642 3.514 ( -1.135 0.348 1.122) 1.633 3.605 ( 0.695 -0.853 1.020) 1.500 3.629 ( -1.351 -2.026 1.717) 2.980 3.671 ( -2.969 -3.970 -2.581) 5.589 3.747 ( 1.295 -2.790 -0.324) 3.092 3.769 ( -0.074 0.546 5.570) 5.597 3.906 ( -2.596 -4.920 -1.630) 5.796 3.924 ( 0.059 1.107 0.704) 1.314 4.041 ( -0.266 -0.561 1.503) 1.626 4.087 ( -0.987 0.035 1.618) 1.896 4.145 ( 0.992 0.973 -3.886) 4.127 4.197 ( -1.292 0.249 -1.791) 2.222 4.300 ( -3.345 -1.205 -4.255) 5.545 4.344 ( 2.954 0.386 -4.309) 5.238 4.385 ( 1.246 0.239 -2.588) 2.882 4.431 ( -0.344 0.842 -3.890) 3.995 4.466 ( 0.065 0.301 -5.153) 5.162 4.821 ( 1.894 1.922 6.285) 6.839 4.941 ( 1.898 0.089 3.618) 4.087 5.092 ( -0.318 1.090 5.289) 5.409 5.341 ( -2.470 1.101 6.379) 6.929 5.373 ( 3.130 -4.075 1.906) 5.480 5.443 ( -4.423 3.436 -5.039) 7.534 5.469 ( 3.184 1.042 0.391) 3.373 5.497 ( -2.215 -0.527 1.894) 2.962 5.532 ( -4.197 -3.300 -1.485) 5.541 5.693 ( -0.248 -1.976 -1.574) 2.538 5.830 ( 1.521 1.699 2.270) 3.218 6.027 ( 0.838 -0.390 -0.217) 0.950 6.095 ( -0.039 -0.605 1.353) 1.483 6.212 ( 0.013 0.603 -9.852) 9.871 ======================= Grid point 121 (65/89) ======================= q-point: (-0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -0.150 6.769 16.252) 17.606 1.331 ( -2.770 5.078 13.401) 14.596 1.551 ( 2.095 -1.074 3.957) 4.604 1.797 ( -0.108 0.779 -0.720) 1.066 1.911 ( 0.417 -0.217 -9.858) 9.869 2.102 ( -0.427 1.213 -6.123) 6.257 2.173 ( 2.481 1.760 7.257) 7.869 2.250 ( -0.045 -1.583 4.636) 4.899 2.340 ( 3.275 2.849 8.385) 9.442 2.432 ( 0.184 -0.293 6.873) 6.881 2.502 ( -4.543 2.606 5.381) 7.509 2.566 ( -0.819 -2.612 0.898) 2.881 2.602 ( 0.071 -0.865 4.858) 4.935 2.624 ( -2.081 -1.672 2.468) 3.636 2.744 ( 2.558 0.149 -3.060) 3.991 2.858 ( -1.693 3.138 2.610) 4.419 2.890 ( 1.444 3.771 -9.167) 10.017 2.952 ( -0.111 1.127 -3.780) 3.946 3.053 ( 4.502 7.305 -2.647) 8.980 3.224 ( -3.323 2.228 -2.428) 4.680 3.274 ( -5.353 6.051 -7.739) 11.187 3.428 ( -0.472 -0.885 -5.883) 5.968 3.535 ( 2.004 -6.026 3.191) 7.107 3.556 ( 2.087 -1.834 1.625) 3.218 3.626 ( 0.848 -1.544 0.611) 1.865 3.682 ( 2.106 -3.426 -0.766) 4.094 3.702 ( -1.607 -4.692 -1.355) 5.142 3.782 ( 0.799 -0.943 5.231) 5.375 3.800 ( 0.732 -2.743 -0.978) 3.003 3.914 ( 0.336 0.551 -0.123) 0.657 3.946 ( -1.792 -4.434 -0.969) 4.880 4.052 ( -0.964 -1.554 2.221) 2.877 4.105 ( 1.499 -2.465 1.698) 3.347 4.155 ( 2.056 0.223 -3.092) 3.720 4.189 ( 0.100 -0.538 -2.110) 2.180 4.250 ( -4.226 0.276 -2.221) 4.782 4.338 ( -0.266 2.414 -6.595) 7.028 4.383 ( -0.260 1.485 -8.592) 8.723 4.435 ( 1.151 -0.573 0.066) 1.287 4.482 ( 1.591 -0.378 -3.401) 3.774 4.833 ( 3.056 1.472 6.648) 7.464 4.944 ( -2.237 1.891 6.079) 6.748 5.014 ( -0.470 4.606 0.818) 4.702 5.191 ( -6.870 7.117 0.082) 9.892 5.419 ( 2.045 -0.700 1.231) 2.487 5.448 ( -1.255 -3.083 2.880) 4.402 5.483 ( 0.965 -1.764 1.225) 2.354 5.556 ( -1.201 -5.417 0.058) 5.549 5.582 ( 3.364 -5.014 0.502) 6.058 5.737 ( 1.052 -3.395 -1.020) 3.698 5.812 ( 0.523 2.814 2.837) 4.030 6.057 ( 2.004 -0.707 -0.380) 2.159 6.084 ( -1.023 0.997 1.468) 2.048 6.181 ( -1.279 2.163 -10.074) 10.383 ======================= Grid point 122 (66/89) ======================= q-point: (-0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 0.789 7.261 17.863) 19.298 1.197 ( -3.964 6.797 15.828) 17.676 1.600 ( 3.431 -0.338 1.080) 3.613 1.764 ( -0.169 5.121 -6.461) 8.247 1.886 ( -1.485 -0.081 -0.814) 1.696 2.032 ( -4.820 2.569 3.678) 6.585 2.228 ( 3.525 -2.566 3.277) 5.455 2.278 ( -0.283 -2.599 4.960) 5.607 2.358 ( 2.708 1.558 7.855) 8.454 2.410 ( -2.256 0.266 2.952) 3.725 2.497 ( 2.924 -1.953 5.026) 6.134 2.577 ( -0.705 0.603 2.793) 2.943 2.602 ( 0.595 -1.708 2.644) 3.203 2.661 ( 0.284 -3.724 -0.033) 3.735 2.766 ( 0.749 0.844 -2.747) 2.969 2.805 ( -0.658 1.901 1.252) 2.370 2.868 ( 0.615 1.049 -9.520) 9.597 2.935 ( 0.583 1.907 0.711) 2.118 3.021 ( 4.379 6.033 -4.291) 8.602 3.125 ( -2.122 6.753 -6.283) 9.464 3.149 ( -2.619 2.033 -5.247) 6.207 3.431 ( -0.639 -0.898 -4.514) 4.647 3.585 ( -0.568 -1.380 1.440) 2.074 3.604 ( 1.004 -0.181 0.689) 1.231 3.667 ( 0.741 -2.340 1.720) 2.997 3.726 ( -2.479 -2.837 -2.205) 4.365 3.768 ( 1.027 -3.247 1.769) 3.838 3.814 ( 0.369 -2.432 3.141) 3.990 3.839 ( 1.366 -2.203 0.853) 2.729 3.934 ( 1.596 -1.899 -2.657) 3.635 3.971 ( -2.935 -3.388 1.099) 4.615 4.072 ( -0.057 -2.654 0.705) 2.747 4.133 ( -0.957 -1.529 2.240) 2.876 4.165 ( -1.986 2.032 0.547) 2.893 4.203 ( -0.572 -2.125 -3.823) 4.411 4.224 ( 0.829 -0.221 -2.838) 2.965 4.304 ( 1.213 1.766 -6.045) 6.414 4.365 ( 0.723 0.660 -8.866) 8.919 4.443 ( 0.127 1.046 -0.422) 1.135 4.494 ( 0.596 0.727 -3.650) 3.769 4.846 ( -3.798 2.268 5.694) 7.211 4.857 ( 3.179 2.016 6.297) 7.336 4.994 ( 2.758 5.845 -1.240) 6.581 5.038 ( -2.810 2.296 -1.163) 3.810 5.447 ( -2.617 -2.080 5.058) 6.062 5.470 ( 2.427 -1.324 2.088) 3.465 5.558 ( 2.506 -3.945 -0.283) 4.683 5.596 ( -1.872 -4.741 -0.791) 5.158 5.678 ( 1.105 -2.597 2.117) 3.528 5.774 ( -0.377 0.799 -0.523) 1.027 5.793 ( 0.117 -1.510 2.635) 3.039 6.039 ( -0.816 2.474 2.414) 3.551 6.087 ( -1.021 -0.404 0.488) 1.201 6.143 ( 1.733 1.784 -10.520) 10.810 ======================= Grid point 125 (67/89) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 8.795 -0.000 9.281) 12.786 1.323 ( 6.098 -0.000 12.519) 13.925 1.617 ( -6.840 0.000 8.819) 11.161 1.757 ( 0.065 -0.000 -6.220) 6.220 1.920 ( 3.407 -0.000 -1.526) 3.734 2.126 ( 7.848 -0.000 -9.882) 12.619 2.218 ( -1.864 0.000 5.472) 5.781 2.281 ( -5.197 0.000 0.432) 5.215 2.338 ( 6.360 -0.000 9.178) 11.166 2.384 ( -3.267 0.000 9.491) 10.037 2.531 ( 0.231 -0.000 0.172) 0.288 2.544 ( -2.012 0.000 2.323) 3.073 2.610 ( 1.781 -0.000 6.493) 6.733 2.668 ( -3.115 0.000 2.797) 4.186 2.842 ( 3.482 -0.000 5.163) 6.228 2.934 ( -0.046 0.000 -6.477) 6.478 2.949 ( -0.455 0.000 -4.731) 4.752 3.063 ( 2.182 -0.000 -4.713) 5.194 3.109 ( 4.007 -0.000 -4.554) 6.065 3.234 ( 4.581 -0.000 -9.816) 10.833 3.261 ( 6.899 -0.000 -0.967) 6.966 3.423 ( -0.289 0.000 -3.408) 3.420 3.502 ( -5.778 0.000 -1.096) 5.881 3.529 ( -4.148 0.000 -2.786) 4.997 3.577 ( -1.630 0.000 -1.913) 2.513 3.582 ( -1.313 0.000 2.244) 2.599 3.664 ( -1.325 0.000 4.287) 4.487 3.682 ( -0.360 0.000 0.396) 0.535 3.782 ( -1.332 0.000 3.691) 3.924 3.829 ( -3.600 0.000 -0.110) 3.602 3.936 ( -1.474 0.000 1.156) 1.874 4.042 ( -1.512 0.000 1.531) 2.151 4.081 ( -1.925 0.000 1.992) 2.770 4.155 ( -3.241 0.000 -3.604) 4.847 4.190 ( -2.832 0.000 -0.841) 2.955 4.276 ( 2.436 -0.000 -5.820) 6.310 4.354 ( 2.690 -0.000 -5.285) 5.931 4.394 ( 2.546 -0.000 -0.843) 2.682 4.447 ( -0.358 0.000 -3.731) 3.748 4.473 ( -0.793 0.000 -6.870) 6.915 4.878 ( 1.297 -0.000 8.479) 8.578 4.915 ( 3.532 -0.000 7.437) 8.233 5.113 ( 3.134 -0.000 5.325) 6.178 5.236 ( 2.884 -0.000 -4.749) 5.557 5.393 ( -2.389 0.000 4.057) 4.708 5.416 ( -1.005 0.000 -0.169) 1.019 5.474 ( -4.946 0.000 -1.783) 5.257 5.532 ( -2.657 0.000 1.901) 3.267 5.595 ( -2.898 0.000 -2.607) 3.898 5.643 ( -1.735 0.000 -2.823) 3.313 5.854 ( 1.827 -0.000 4.096) 4.485 6.013 ( -3.360 0.000 3.216) 4.651 6.068 ( 1.454 -0.000 -1.291) 1.944 6.225 ( 2.443 -0.000 -11.317) 11.578 ======================= Grid point 126 (68/89) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 2.148 1.431 10.740) 11.046 1.414 ( 7.054 1.175 10.827) 12.976 1.524 ( -4.884 0.107 8.700) 9.978 1.762 ( -0.732 -1.800 -4.454) 4.860 1.947 ( 2.987 1.860 -4.624) 5.811 2.163 ( -2.140 2.396 -11.667) 12.101 2.207 ( 0.734 0.603 3.176) 3.315 2.233 ( 2.015 0.074 2.400) 3.134 2.376 ( -3.067 -3.198 7.370) 8.600 2.424 ( 7.048 1.984 10.530) 12.826 2.521 ( -0.349 0.357 4.158) 4.188 2.552 ( -0.045 -1.595 1.210) 2.002 2.609 ( -2.525 1.745 4.914) 5.793 2.626 ( -0.281 1.252 7.182) 7.295 2.801 ( -0.838 4.338 0.306) 4.429 2.895 ( -3.492 1.155 -2.651) 4.534 2.968 ( 0.955 -0.299 -5.454) 5.545 3.057 ( 1.747 5.434 -5.792) 8.132 3.198 ( 3.116 -4.786 -0.227) 5.715 3.239 ( 4.531 4.663 -4.291) 7.790 3.357 ( 1.436 -0.720 -4.809) 5.070 3.408 ( -4.919 2.432 -6.700) 8.660 3.426 ( -1.664 -1.311 -1.527) 2.611 3.496 ( -0.602 -2.485 -1.562) 2.996 3.568 ( -1.339 -2.066 1.412) 2.838 3.584 ( -1.751 -3.194 -1.719) 4.027 3.651 ( 3.583 1.220 2.290) 4.424 3.737 ( 1.680 -1.790 -0.153) 2.460 3.767 ( -0.940 -0.240 3.912) 4.030 3.812 ( -1.546 -3.684 0.404) 4.016 3.922 ( -0.830 -0.279 1.030) 1.352 4.022 ( -2.185 -0.424 3.298) 3.979 4.065 ( -0.855 -0.585 1.561) 1.873 4.111 ( -3.673 -2.563 -1.521) 4.730 4.173 ( -0.257 -0.290 -2.602) 2.630 4.296 ( 1.203 1.505 -4.462) 4.860 4.377 ( 1.010 0.605 -7.288) 7.382 4.412 ( 0.761 0.676 -3.961) 4.089 4.440 ( 0.084 0.610 -2.326) 2.406 4.467 ( 0.617 -0.228 -5.668) 5.706 4.881 ( 2.121 1.726 8.764) 9.181 4.968 ( 1.971 -0.055 8.649) 8.870 5.119 ( 0.332 2.772 4.821) 5.571 5.291 ( -1.283 -4.459 1.568) 4.898 5.340 ( -3.882 0.590 -1.043) 4.062 5.408 ( -1.425 -0.885 -3.208) 3.620 5.441 ( -1.144 -2.040 0.956) 2.527 5.482 ( -2.561 0.671 1.769) 3.184 5.562 ( 2.898 3.971 -2.309) 5.431 5.649 ( -0.604 -2.477 -3.561) 4.380 5.865 ( 0.681 0.941 4.313) 4.466 5.994 ( -1.748 -2.988 3.515) 4.933 6.086 ( 0.385 -0.436 -1.075) 1.223 6.240 ( 1.257 1.508 -12.076) 12.234 ======================= Grid point 128 (69/89) ======================= q-point: (-0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -2.010 4.599 11.569) 12.611 1.396 ( -0.737 6.191 14.160) 15.472 1.548 ( 1.817 -2.983 7.604) 8.368 1.789 ( 0.816 -2.134 -3.328) 4.037 1.951 ( 1.511 2.920 -8.728) 9.327 2.096 ( -3.593 1.176 -7.430) 8.336 2.215 ( 2.139 0.900 2.693) 3.555 2.248 ( 0.407 1.312 4.105) 4.329 2.375 ( -2.719 -2.072 3.007) 4.553 2.448 ( -0.094 4.262 7.540) 8.662 2.488 ( 0.694 0.683 7.707) 7.768 2.577 ( -0.484 -1.902 3.975) 4.433 2.585 ( 1.132 0.123 9.557) 9.624 2.603 ( 1.412 1.615 4.388) 4.884 2.763 ( -0.787 0.081 -2.867) 2.974 2.838 ( -2.689 0.506 -2.170) 3.492 2.964 ( -0.189 2.756 -6.947) 7.476 3.004 ( 3.071 5.115 -3.436) 6.885 3.190 ( -0.684 4.287 -4.289) 6.103 3.239 ( -0.832 4.356 -2.027) 4.876 3.287 ( -1.353 4.913 -7.026) 8.679 3.393 ( -0.144 -2.430 -2.815) 3.721 3.457 ( 0.411 -5.814 0.270) 5.834 3.535 ( -0.725 -2.673 1.000) 2.945 3.604 ( -0.367 -3.837 -1.104) 4.010 3.625 ( 1.528 -3.640 -1.031) 4.080 3.714 ( 4.112 -1.049 -0.539) 4.278 3.745 ( -1.425 -0.926 -0.954) 1.949 3.785 ( 1.095 -2.254 2.326) 3.419 3.860 ( -1.239 -4.011 3.745) 5.626 3.913 ( -1.475 -0.061 0.233) 1.495 4.001 ( -2.346 -2.408 1.270) 3.593 4.090 ( 0.773 -1.772 1.788) 2.633 4.131 ( 0.629 -2.997 -1.098) 3.254 4.188 ( 0.764 -1.036 -2.899) 3.172 4.267 ( 0.623 3.691 -1.494) 4.030 4.361 ( -0.333 1.849 -8.184) 8.397 4.394 ( -0.627 1.304 -8.868) 8.985 4.438 ( -0.120 -0.612 -0.633) 0.889 4.493 ( 1.346 -0.654 -3.559) 3.860 4.894 ( 0.238 0.958 8.682) 8.738 4.946 ( -0.095 3.670 8.816) 9.550 5.080 ( 0.964 2.588 2.606) 3.797 5.209 ( -3.301 6.359 -2.067) 7.456 5.362 ( -2.606 -5.444 2.080) 6.384 5.433 ( 2.125 -1.411 -0.531) 2.606 5.454 ( -0.744 -1.886 1.274) 2.394 5.493 ( 0.521 -2.856 0.309) 2.920 5.575 ( 2.012 -1.648 -0.026) 2.601 5.684 ( -0.781 -3.811 -2.897) 4.850 5.848 ( -0.495 1.896 4.586) 4.987 6.036 ( 0.179 -3.485 1.967) 4.006 6.084 ( -0.254 0.746 -0.160) 0.804 6.217 ( 0.457 2.781 -12.035) 12.360 ======================= Grid point 129 (70/89) ======================= q-point: (-0.17 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -1.565 6.207 13.398) 14.849 1.302 ( 1.084 6.495 15.627) 16.958 1.600 ( -0.157 -2.999 6.662) 7.307 1.834 ( 2.594 0.543 -4.210) 4.975 1.892 ( -0.716 3.691 -5.257) 6.464 2.009 ( -4.541 3.258 -1.663) 5.831 2.231 ( -0.144 0.160 2.219) 2.229 2.245 ( -0.514 -1.520 5.544) 5.771 2.336 ( -2.226 0.286 1.720) 2.828 2.420 ( 0.140 -1.106 5.815) 5.921 2.541 ( 4.304 -0.698 3.715) 5.728 2.586 ( -0.749 -0.791 5.915) 6.015 2.605 ( 1.219 1.182 3.867) 4.223 2.630 ( 3.125 -2.374 5.537) 6.787 2.750 ( -2.031 -0.693 -2.180) 3.059 2.817 ( -0.383 0.428 -2.353) 2.422 2.895 ( -1.790 3.439 -7.841) 8.748 2.992 ( 2.381 3.409 0.154) 4.161 3.102 ( -3.079 3.372 -6.030) 7.564 3.170 ( 0.840 3.156 -4.885) 5.876 3.245 ( 5.367 6.592 -3.873) 9.341 3.405 ( -0.726 -0.963 -4.463) 4.623 3.532 ( -1.272 -3.674 1.535) 4.180 3.564 ( -1.414 -3.953 2.297) 4.786 3.640 ( -0.597 -2.601 0.462) 2.708 3.686 ( 0.441 -0.896 -2.518) 2.709 3.749 ( -1.161 -4.294 0.506) 4.477 3.778 ( 2.185 -0.457 0.596) 2.310 3.820 ( -1.801 -2.944 0.375) 3.471 3.875 ( -2.208 -2.155 2.462) 3.947 3.916 ( 1.362 -1.446 1.705) 2.617 4.027 ( -0.491 -3.214 -2.654) 4.197 4.108 ( -0.416 -0.760 1.991) 2.171 4.177 ( -0.673 0.281 -1.790) 1.933 4.180 ( 0.305 0.732 -0.769) 1.104 4.246 ( 1.251 1.274 -2.989) 3.482 4.342 ( 1.551 0.984 -5.235) 5.548 4.379 ( 0.664 0.180 -8.645) 8.672 4.444 ( -0.896 -0.558 -1.953) 2.220 4.501 ( -0.390 0.195 -3.279) 3.308 4.823 ( -3.651 1.648 5.958) 7.180 4.951 ( 3.716 3.755 8.422) 9.942 5.030 ( -2.268 2.435 -0.721) 3.405 5.147 ( 6.672 5.778 1.089) 8.893 5.378 ( -2.569 -2.647 4.103) 5.518 5.472 ( -0.227 -1.736 -0.066) 1.752 5.507 ( 1.173 -4.043 0.833) 4.291 5.532 ( -0.607 -4.216 0.862) 4.345 5.641 ( 0.990 -3.469 0.969) 3.735 5.719 ( -2.224 -3.943 -3.880) 5.962 5.806 ( -1.380 2.370 4.220) 5.033 6.053 ( -1.807 0.022 -0.951) 2.042 6.069 ( 0.573 1.233 1.625) 2.119 6.198 ( 1.941 1.530 -9.436) 9.755 ======================= Grid point 134 (71/89) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -3.760 0.000 7.903) 8.752 1.489 ( 0.783 -0.000 12.052) 12.078 1.495 ( 2.428 -0.000 11.715) 11.964 1.748 ( 0.835 -0.000 -6.086) 6.143 1.984 ( 1.839 -0.000 -4.620) 4.973 2.103 ( -5.842 0.000 -8.647) 10.436 2.235 ( 2.580 -0.000 1.879) 3.192 2.295 ( 3.852 -0.000 -5.797) 6.960 2.329 ( -1.334 0.000 10.888) 10.970 2.512 ( -1.048 0.000 5.730) 5.825 2.514 ( 2.386 -0.000 8.762) 9.081 2.540 ( -0.310 0.000 2.687) 2.705 2.592 ( -1.420 0.000 5.629) 5.805 2.642 ( 0.278 -0.000 6.376) 6.382 2.790 ( -4.178 0.000 2.985) 5.135 2.854 ( -4.318 0.000 -4.804) 6.459 2.961 ( -0.063 0.000 -3.029) 3.030 3.161 ( 5.571 -0.000 -3.278) 6.463 3.175 ( -0.242 0.000 -0.738) 0.777 3.297 ( 2.333 -0.000 -4.835) 5.368 3.375 ( -2.948 0.000 -2.040) 3.585 3.391 ( -5.374 0.000 -7.226) 9.006 3.395 ( -3.422 0.000 -8.587) 9.243 3.436 ( 3.950 -0.000 -0.710) 4.013 3.537 ( -0.466 0.000 0.247) 0.527 3.570 ( 2.414 -0.000 0.611) 2.490 3.705 ( 3.208 -0.000 1.678) 3.621 3.748 ( -0.781 0.000 0.882) 1.178 3.771 ( 3.680 -0.000 1.004) 3.814 3.773 ( 0.230 -0.000 1.860) 1.874 3.912 ( -0.204 0.000 1.182) 1.200 3.958 ( -5.580 0.000 3.376) 6.522 4.062 ( 0.691 -0.000 1.223) 1.405 4.073 ( 1.213 -0.000 0.597) 1.352 4.170 ( 0.294 -0.000 -2.747) 2.763 4.332 ( 1.703 -0.000 -2.906) 3.368 4.383 ( -0.271 0.000 -10.687) 10.690 4.403 ( -2.136 0.000 -5.911) 6.285 4.450 ( 0.642 -0.000 -1.402) 1.542 4.478 ( 0.924 -0.000 -4.381) 4.477 4.904 ( 0.211 -0.000 10.193) 10.195 5.001 ( 1.173 -0.000 10.388) 10.454 5.157 ( -0.173 0.000 10.446) 10.448 5.217 ( -2.161 0.000 -4.719) 5.190 5.309 ( -1.921 0.000 -1.960) 2.745 5.395 ( 1.710 -0.000 -2.507) 3.035 5.418 ( -0.468 0.000 1.449) 1.523 5.453 ( -2.023 0.000 1.641) 2.605 5.617 ( 0.236 -0.000 -4.554) 4.560 5.631 ( 0.348 -0.000 -3.886) 3.902 5.872 ( -0.703 0.000 4.819) 4.870 5.956 ( 0.878 -0.000 5.186) 5.260 6.089 ( 0.315 -0.000 -1.791) 1.818 6.258 ( -0.059 0.000 -12.559) 12.559 ======================= Grid point 135 (72/89) ======================= q-point: (-0.33 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -3.178 0.484 8.244) 8.849 1.443 ( -3.022 4.582 14.289) 15.307 1.533 ( 0.145 -2.020 11.699) 11.873 1.776 ( 1.449 -1.737 -6.229) 6.627 1.996 ( 0.438 2.237 -7.013) 7.374 2.048 ( -2.387 -0.808 -8.559) 8.922 2.268 ( 2.840 1.300 3.856) 4.962 2.284 ( -0.059 3.322 4.821) 5.855 2.342 ( 0.004 -0.951 1.026) 1.399 2.449 ( -5.115 3.157 4.482) 7.498 2.509 ( -0.503 -0.707 6.652) 6.708 2.538 ( -1.452 -1.122 6.767) 7.011 2.591 ( 1.059 0.314 4.768) 4.894 2.657 ( 1.015 -1.024 8.378) 8.501 2.740 ( -1.438 0.291 0.795) 1.669 2.809 ( -2.191 0.168 -4.240) 4.776 2.962 ( -1.487 -0.740 -3.677) 4.035 3.110 ( -0.868 4.672 -0.836) 4.825 3.202 ( -5.446 5.395 -8.480) 11.431 3.245 ( 1.604 1.696 -2.324) 3.294 3.345 ( -0.634 -0.093 -5.549) 5.586 3.380 ( 3.008 -2.493 1.992) 4.385 3.395 ( -3.428 -4.341 -7.247) 9.117 3.478 ( 0.154 -1.949 1.302) 2.349 3.561 ( 1.865 -1.311 -1.603) 2.787 3.627 ( 3.549 -1.960 0.178) 4.058 3.718 ( -0.267 1.731 -0.081) 1.754 3.760 ( 0.889 -0.118 0.300) 0.946 3.796 ( 3.843 0.417 0.227) 3.872 3.822 ( 1.914 -1.978 0.908) 2.898 3.901 ( -0.654 -0.191 5.332) 5.376 3.938 ( -0.876 -2.855 -1.490) 3.338 4.084 ( 1.086 -0.778 1.247) 1.827 4.121 ( 3.038 -2.254 0.612) 3.832 4.183 ( 0.761 -0.757 -2.532) 2.750 4.322 ( 0.093 2.711 -1.965) 3.350 4.368 ( -1.334 0.291 -9.155) 9.256 4.389 ( -0.263 -0.613 -8.131) 8.158 4.433 ( -0.613 1.683 -1.344) 2.239 4.494 ( 0.147 -0.808 -3.661) 3.752 4.883 ( -3.015 2.315 9.079) 9.842 5.001 ( 0.925 -0.625 10.199) 10.260 5.103 ( -2.807 3.414 2.818) 5.241 5.248 ( -0.887 -4.693 -0.568) 4.810 5.284 ( 2.244 2.898 2.826) 4.628 5.417 ( -0.318 -0.686 -0.244) 0.795 5.446 ( -0.433 -2.107 1.723) 2.756 5.469 ( 3.759 -2.930 -1.685) 5.055 5.594 ( -0.336 2.064 -1.874) 2.808 5.637 ( 0.302 -1.230 -3.285) 3.521 5.850 ( -1.857 0.750 4.839) 5.238 6.010 ( 2.555 -2.341 2.745) 4.421 6.090 ( 0.003 0.168 -0.894) 0.910 6.237 ( -1.293 0.997 -12.170) 12.279 ======================= Grid point 136 (73/89) ======================= q-point: (-0.17 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -0.465 4.461 10.903) 11.789 1.340 ( -3.273 -0.019 14.760) 15.119 1.549 ( -1.662 -1.832 9.540) 9.855 1.828 ( 0.576 -3.205 -5.594) 6.473 1.943 ( -0.345 4.149 -4.563) 6.177 2.004 ( -1.843 2.721 -4.012) 5.185 2.221 ( -2.506 2.674 4.127) 5.519 2.265 ( 0.089 3.063 2.510) 3.962 2.353 ( 2.648 0.494 3.153) 4.147 2.381 ( -2.594 -1.078 6.562) 7.138 2.525 ( -1.751 -2.696 4.026) 5.152 2.572 ( 2.564 -3.645 2.715) 5.218 2.612 ( 1.425 -0.869 0.234) 1.686 2.676 ( -0.059 -0.228 11.527) 11.529 2.720 ( -1.189 1.176 -2.597) 3.089 2.807 ( 0.511 -2.084 -1.015) 2.374 2.911 ( -3.249 4.050 -4.227) 6.695 3.040 ( -2.194 2.571 -1.062) 3.543 3.056 ( -6.223 0.818 -6.518) 9.049 3.262 ( 4.988 3.256 -3.123) 6.726 3.341 ( 0.281 0.239 -5.462) 5.475 3.395 ( -0.793 -1.502 -3.827) 4.187 3.464 ( 0.825 -3.716 1.848) 4.232 3.504 ( -1.018 -2.533 0.568) 2.788 3.606 ( 1.659 -1.551 -0.195) 2.279 3.687 ( -0.837 1.845 1.288) 2.401 3.699 ( 2.126 -2.144 0.867) 3.141 3.757 ( 0.290 -0.417 -2.387) 2.440 3.814 ( 0.819 1.960 -0.593) 2.205 3.873 ( 2.191 -0.784 2.028) 3.087 3.947 ( 4.342 -0.369 4.032) 5.937 3.969 ( -0.382 -3.974 -4.492) 6.010 4.101 ( 0.305 -0.217 1.833) 1.871 4.174 ( -0.148 0.178 -1.269) 1.290 4.189 ( -0.113 0.373 -1.327) 1.383 4.285 ( 0.451 1.874 -2.996) 3.562 4.359 ( -0.058 -1.057 -5.877) 5.972 4.383 ( -0.121 0.108 -8.660) 8.662 4.422 ( 0.137 0.048 -1.244) 1.252 4.490 ( -1.332 0.077 -3.491) 3.737 4.803 ( -2.619 1.904 6.450) 7.217 5.003 ( -3.042 3.737 0.822) 4.888 5.050 ( 1.502 -1.856 8.375) 8.709 5.297 ( -1.950 -4.307 5.339) 7.132 5.302 ( 5.682 2.203 2.925) 6.760 5.427 ( 0.068 -0.942 -2.126) 2.326 5.482 ( -0.324 -2.428 0.907) 2.612 5.500 ( 0.034 0.922 1.763) 1.990 5.620 ( 2.214 -3.270 -1.805) 4.342 5.665 ( 1.469 -0.644 -3.380) 3.741 5.807 ( -2.269 1.266 3.878) 4.668 6.040 ( -0.477 0.521 -1.015) 1.236 6.088 ( 0.292 0.226 1.231) 1.285 6.217 ( -0.269 -0.362 -9.371) 9.381 ======================= Grid point 141 (74/89) ======================= q-point: (-0.33 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -4.382 0.000 9.188) 10.179 1.427 ( -6.100 0.000 17.291) 18.335 1.506 ( -0.725 0.000 7.698) 7.732 1.776 ( 0.494 -0.000 -7.799) 7.814 2.003 ( -0.924 0.000 -8.879) 8.927 2.051 ( 2.188 -0.000 -4.896) 5.362 2.297 ( -4.421 0.000 4.245) 6.129 2.308 ( -0.756 0.000 8.197) 8.232 2.343 ( 4.712 -0.000 3.173) 5.681 2.425 ( -4.114 0.000 4.033) 5.761 2.453 ( -1.724 0.000 -0.872) 1.932 2.516 ( -1.391 0.000 9.989) 10.086 2.618 ( 1.665 -0.000 3.445) 3.826 2.636 ( -1.604 0.000 10.663) 10.783 2.715 ( -1.399 0.000 4.152) 4.381 2.799 ( -0.328 0.000 -7.261) 7.268 2.927 ( -2.294 0.000 -1.101) 2.545 3.084 ( -5.153 0.000 -0.978) 5.245 3.205 ( -7.102 0.000 -7.396) 10.253 3.220 ( -6.624 0.000 -9.236) 11.366 3.295 ( -1.832 0.000 -3.102) 3.602 3.331 ( 4.181 -0.000 -6.418) 7.660 3.435 ( 5.920 -0.000 2.165) 6.303 3.484 ( 1.109 -0.000 3.895) 4.050 3.589 ( 2.510 -0.000 -2.344) 3.434 3.658 ( 3.170 -0.000 0.344) 3.188 3.750 ( 1.453 -0.000 -1.232) 1.905 3.827 ( 4.042 -0.000 3.172) 5.138 3.828 ( 4.854 -0.000 -1.217) 5.004 3.843 ( 1.590 -0.000 -2.224) 2.734 3.887 ( 0.635 -0.000 -0.011) 0.635 3.925 ( 1.334 -0.000 3.314) 3.573 4.099 ( 1.555 -0.000 1.764) 2.351 4.149 ( 3.268 -0.000 0.715) 3.346 4.189 ( 0.790 -0.000 -1.985) 2.137 4.324 ( -2.849 0.000 -7.244) 7.784 4.329 ( -1.846 0.000 -6.739) 6.987 4.398 ( 0.512 -0.000 -4.694) 4.722 4.442 ( -0.415 0.000 -1.580) 1.634 4.483 ( -0.173 0.000 -4.329) 4.332 4.885 ( -1.987 0.000 10.115) 10.308 4.950 ( -3.632 0.000 7.187) 8.052 5.088 ( -4.219 0.000 2.765) 5.044 5.191 ( -1.813 0.000 -3.150) 3.634 5.356 ( 2.698 -0.000 7.423) 7.899 5.415 ( 0.722 -0.000 0.961) 1.202 5.433 ( 3.426 -0.000 -1.601) 3.782 5.495 ( 2.007 -0.000 -0.730) 2.135 5.622 ( 3.256 -0.000 0.596) 3.310 5.654 ( 2.270 -0.000 -3.399) 4.088 5.825 ( -2.675 0.000 4.450) 5.192 6.041 ( 3.391 -0.000 2.251) 4.070 6.087 ( -0.534 0.000 -0.317) 0.620 6.208 ( -3.130 0.000 -12.182) 12.577 ======================= Grid point 142 (75/89) ======================= q-point: (-0.17 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -5.885 -3.102 13.615) 15.154 1.326 ( -4.815 1.598 15.575) 16.381 1.511 ( -0.547 -1.334 4.832) 5.042 1.787 ( -0.981 -1.895 -8.595) 8.856 1.983 ( -0.244 1.998 -7.560) 7.823 2.049 ( 1.956 3.397 3.301) 5.125 2.218 ( -3.735 2.315 2.273) 4.948 2.272 ( -4.102 -0.563 5.766) 7.099 2.355 ( 0.397 1.741 7.403) 7.616 2.421 ( 3.439 2.211 3.825) 5.599 2.462 ( -1.335 -2.587 2.137) 3.611 2.544 ( 1.606 -4.528 4.593) 6.647 2.619 ( -1.819 -2.057 10.051) 10.419 2.631 ( 0.765 0.452 1.476) 1.723 2.732 ( 0.084 -1.013 1.249) 1.610 2.784 ( 0.306 -0.332 -3.633) 3.661 2.902 ( -2.690 -0.079 0.244) 2.703 3.007 ( -6.457 5.186 -5.916) 10.178 3.020 ( -3.577 1.699 -5.789) 7.014 3.241 ( -6.611 -8.511 -7.613) 13.195 3.270 ( -2.939 -1.387 -4.060) 5.201 3.383 ( 3.772 -0.006 -5.277) 6.487 3.503 ( 1.768 0.145 3.792) 4.187 3.508 ( 5.256 0.988 2.082) 5.739 3.620 ( 1.932 -0.225 -1.266) 2.321 3.709 ( 3.101 -0.661 0.381) 3.194 3.752 ( 2.750 2.793 0.468) 3.947 3.805 ( 2.017 3.324 -1.864) 4.311 3.865 ( 0.950 3.980 1.550) 4.376 3.883 ( -0.459 -1.065 1.983) 2.298 3.944 ( 6.029 -2.670 -5.451) 8.555 3.988 ( 3.539 -2.694 3.068) 5.404 4.116 ( 1.539 0.640 2.437) 2.953 4.172 ( -1.641 1.072 0.408) 2.002 4.198 ( 1.117 0.272 -2.062) 2.361 4.290 ( -1.163 0.102 -6.080) 6.192 4.316 ( -1.252 -2.003 -6.523) 6.938 4.381 ( -1.429 0.278 -5.518) 5.707 4.443 ( 0.911 0.568 -1.037) 1.492 4.477 ( -0.699 0.441 -4.121) 4.203 4.813 ( -1.530 3.256 6.909) 7.790 4.967 ( -3.755 -6.183 7.992) 10.780 5.004 ( -3.658 2.844 -0.854) 4.712 5.184 ( -4.475 -4.582 -1.250) 6.526 5.374 ( 2.268 1.074 5.624) 6.158 5.455 ( 1.805 -1.774 2.066) 3.267 5.474 ( 3.398 1.925 -0.394) 3.926 5.538 ( 3.875 -0.671 3.063) 4.985 5.644 ( 3.230 2.199 -1.869) 4.331 5.712 ( 4.549 -0.419 -1.505) 4.810 5.785 ( -2.710 0.508 3.716) 4.628 6.057 ( 0.416 2.195 -1.320) 2.595 6.080 ( -1.096 -0.678 1.494) 1.973 6.181 ( -1.941 -2.151 -9.351) 9.789 ======================= Grid point 148 (76/89) ======================= q-point: (-0.17 -0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -6.322 0.000 15.535) 16.772 1.244 ( -7.351 0.000 19.001) 20.373 1.513 ( 1.742 -0.000 -0.521) 1.819 1.747 ( -2.718 0.000 -10.412) 10.761 1.974 ( -2.982 0.000 -2.433) 3.849 2.109 ( 1.618 -0.000 13.998) 14.091 2.175 ( -4.612 0.000 -4.426) 6.393 2.231 ( 2.292 -0.000 6.384) 6.782 2.375 ( -0.769 0.000 6.886) 6.928 2.431 ( -1.112 0.000 2.905) 3.111 2.510 ( 1.292 -0.000 5.994) 6.132 2.512 ( 3.905 -0.000 4.652) 6.074 2.584 ( -0.116 0.000 5.932) 5.933 2.661 ( 1.217 -0.000 -0.792) 1.452 2.727 ( 2.764 -0.000 2.374) 3.643 2.798 ( 0.478 -0.000 -7.238) 7.254 2.853 ( -2.969 0.000 2.242) 3.720 2.976 ( -3.031 0.000 -2.309) 3.810 3.028 ( -6.816 0.000 -9.772) 11.914 3.042 ( -4.319 0.000 -6.371) 7.697 3.218 ( -3.203 0.000 -5.895) 6.709 3.419 ( 2.161 -0.000 -3.579) 4.181 3.531 ( 1.960 -0.000 3.450) 3.968 3.572 ( 2.916 -0.000 0.335) 2.936 3.646 ( 1.999 -0.000 -0.388) 2.037 3.759 ( 5.256 -0.000 -0.812) 5.318 3.808 ( 2.132 -0.000 -2.450) 3.248 3.847 ( -1.009 0.000 3.699) 3.834 3.854 ( -0.769 0.000 -1.062) 1.311 3.950 ( 2.403 -0.000 1.585) 2.878 3.975 ( 1.969 -0.000 2.870) 3.481 4.029 ( 7.708 -0.000 -3.156) 8.329 4.145 ( 1.662 -0.000 2.521) 3.019 4.157 ( -1.820 0.000 -0.116) 1.824 4.222 ( 1.194 -0.000 -2.522) 2.791 4.252 ( -3.353 0.000 -1.949) 3.878 4.305 ( 1.630 -0.000 -8.584) 8.738 4.352 ( -2.195 0.000 -6.818) 7.163 4.445 ( -0.976 0.000 -0.581) 1.135 4.476 ( -0.204 0.000 -4.027) 4.033 4.828 ( -1.798 0.000 7.311) 7.529 4.865 ( -2.568 0.000 4.805) 5.448 4.971 ( -4.123 0.000 -0.291) 4.133 5.083 ( -4.635 0.000 -3.846) 6.023 5.420 ( 2.833 -0.000 4.316) 5.162 5.471 ( 1.940 -0.000 4.385) 4.795 5.542 ( 2.867 -0.000 0.547) 2.919 5.583 ( 5.787 -0.000 2.735) 6.401 5.704 ( 0.843 -0.000 -1.332) 1.577 5.753 ( -0.663 0.000 0.087) 0.668 5.774 ( 3.955 -0.000 3.054) 4.996 6.046 ( -2.800 0.000 1.869) 3.367 6.092 ( 0.435 -0.000 0.925) 1.022 6.128 ( -1.357 0.000 -10.853) 10.937 ======================= Grid point 149 (77/89) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 47 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -0.194 0.000 -6.747) 6.749 1.367 ( 0.194 -0.000 6.747) 6.749 1.459 ( 4.840 -0.000 -4.061) 6.318 1.459 ( -4.840 0.000 4.061) 6.318 1.996 ( -1.582 0.000 -4.765) 5.021 1.996 ( 1.582 -0.000 4.765) 5.021 2.383 ( 1.012 -0.000 -0.421) 1.096 2.383 ( -1.012 0.000 0.421) 1.096 2.472 ( 3.117 -0.000 -5.170) 6.037 2.472 ( -3.117 0.000 5.170) 6.037 2.531 ( 1.448 -0.000 -9.269) 9.381 2.531 ( -1.448 0.000 9.269) 9.381 2.662 ( 1.197 -0.000 -5.006) 5.147 2.662 ( -1.197 0.000 5.006) 5.147 2.732 ( -2.879 0.000 -0.513) 2.924 2.732 ( 2.879 -0.000 0.513) 2.924 2.799 ( 0.882 -0.000 -3.920) 4.018 2.799 ( -0.882 0.000 3.920) 4.018 2.989 ( -4.698 0.000 -5.996) 7.618 2.989 ( 4.698 -0.000 5.996) 7.618 3.220 ( -0.134 0.000 -16.976) 16.977 3.220 ( 0.134 -0.000 16.976) 16.977 3.585 ( -0.350 0.000 -0.771) 0.847 3.585 ( 0.350 -0.000 0.771) 0.847 3.739 ( -2.870 0.000 -0.779) 2.974 3.739 ( 2.870 -0.000 0.779) 2.974 3.864 ( 4.160 -0.000 -4.266) 5.958 3.864 ( -4.160 0.000 4.266) 5.958 3.958 ( -0.858 0.000 -5.373) 5.441 3.958 ( 0.858 -0.000 5.373) 5.441 4.072 ( -0.367 0.000 -3.623) 3.642 4.072 ( 0.367 -0.000 3.623) 3.642 4.137 ( 0.703 -0.000 -0.366) 0.793 4.137 ( -0.703 0.000 0.366) 0.793 4.185 ( -1.662 0.000 -2.391) 2.911 4.185 ( 1.662 -0.000 2.391) 2.911 4.261 ( 2.159 -0.000 -3.672) 4.260 4.261 ( -2.159 0.000 3.672) 4.260 4.419 ( 0.870 -0.000 -2.042) 2.219 4.419 ( -0.870 0.000 2.042) 2.219 4.878 ( 0.928 -0.000 -1.911) 2.125 4.878 ( -0.928 0.000 1.911) 2.125 4.928 ( 0.227 -0.000 -4.922) 4.927 4.928 ( -0.227 0.000 4.922) 4.927 5.541 ( -1.500 0.000 -1.649) 2.229 5.541 ( 1.500 -0.000 1.649) 2.229 5.623 ( -1.343 0.000 -3.727) 3.962 5.623 ( 1.343 -0.000 3.727) 3.962 5.748 ( 0.730 -0.000 -2.568) 2.670 5.748 ( -0.730 0.000 2.568) 2.670 5.909 ( 0.670 -0.000 -7.276) 7.307 5.909 ( -0.670 0.000 7.276) 7.307 6.082 ( -0.211 0.000 -1.242) 1.260 6.082 ( 0.211 -0.000 1.242) 1.260 ======================= Grid point 151 (78/89) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -0.108 -1.118 7.326) 7.412 1.428 ( 3.441 -4.514 5.375) 7.817 1.448 ( -0.757 -4.920 -7.378) 8.900 1.551 ( 6.127 -2.175 -5.562) 8.556 1.958 ( -2.276 2.004 -2.265) 3.785 2.000 ( 0.060 1.706 6.953) 7.160 2.321 ( -3.301 2.491 -2.472) 4.818 2.370 ( -0.310 1.729 -1.220) 2.138 2.431 ( -2.359 0.264 3.223) 4.003 2.456 ( -2.119 -0.707 -4.602) 5.115 2.558 ( 3.279 1.711 1.774) 4.102 2.605 ( 5.300 -0.340 -2.026) 5.684 2.652 ( -1.288 -0.403 1.367) 1.921 2.684 ( -2.208 1.114 2.847) 3.771 2.697 ( 2.818 -0.857 -7.895) 8.427 2.751 ( 2.455 0.982 0.417) 2.677 2.804 ( -1.001 -1.570 3.930) 4.349 2.870 ( 2.883 -5.121 -1.322) 6.024 2.961 ( -1.080 -3.112 -4.784) 5.808 3.072 ( 5.183 -2.386 3.825) 6.869 3.208 ( -0.724 0.549 -5.626) 5.699 3.225 ( 0.356 -0.261 5.715) 5.732 3.579 ( -1.167 -0.067 -0.417) 1.241 3.593 ( -0.344 -0.815 0.068) 0.888 3.682 ( -3.798 1.409 0.062) 4.051 3.753 ( 0.875 1.858 1.119) 2.339 3.810 ( -4.227 -1.241 2.908) 5.278 3.886 ( 0.876 4.031 -2.448) 4.797 3.911 ( -1.300 2.287 -2.485) 3.618 3.954 ( -0.002 0.892 -0.972) 1.319 4.024 ( -3.446 2.545 4.842) 6.465 4.074 ( 0.477 0.335 -2.312) 2.384 4.111 ( -2.720 0.602 1.734) 3.282 4.147 ( 0.017 -0.072 1.258) 1.261 4.160 ( -0.021 0.625 -0.654) 0.905 4.220 ( 0.078 -0.444 3.101) 3.134 4.224 ( -0.181 0.354 -1.915) 1.956 4.296 ( 2.766 -0.817 -2.891) 4.083 4.422 ( -0.416 -0.668 1.630) 1.810 4.444 ( 0.827 -1.107 -1.148) 1.796 4.877 ( -0.220 -0.205 1.293) 1.328 4.907 ( 0.122 -0.963 -0.967) 1.371 4.964 ( 4.667 -3.181 -3.375) 6.580 4.979 ( 3.862 -3.754 2.900) 6.117 5.496 ( -2.954 2.000 -0.673) 3.630 5.532 ( -1.420 1.742 1.385) 2.640 5.585 ( -1.341 1.689 -3.684) 4.269 5.623 ( 0.368 1.116 2.109) 2.414 5.732 ( -1.411 1.080 0.111) 1.781 5.751 ( -0.523 0.252 -0.859) 1.037 5.886 ( -1.988 0.400 1.974) 2.830 5.917 ( -0.532 -0.196 -1.347) 1.461 6.080 ( 0.506 -0.391 0.096) 0.646 6.100 ( 1.438 -0.892 -0.294) 1.718 ======================= Grid point 152 (79/89) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -0.186 -1.350 6.619) 6.758 1.542 ( 2.446 -5.265 -8.338) 10.160 1.548 ( 2.589 -6.498 5.357) 8.811 1.658 ( 5.461 -1.112 -4.930) 7.441 1.881 ( -2.927 3.426 -1.710) 4.820 1.951 ( -2.541 2.739 6.297) 7.322 2.262 ( -0.968 2.150 -0.659) 2.448 2.344 ( 0.220 1.430 -2.249) 2.674 2.401 ( -1.175 0.240 5.302) 5.436 2.459 ( 0.550 -1.004 -5.071) 5.199 2.551 ( -2.363 0.519 0.802) 2.549 2.614 ( 0.682 2.048 -2.636) 3.407 2.636 ( -0.564 0.024 0.108) 0.575 2.673 ( -0.783 -0.381 2.500) 2.647 2.754 ( 3.346 -0.319 -5.364) 6.330 2.785 ( 3.637 0.275 0.879) 3.752 2.810 ( -0.722 -1.057 2.074) 2.437 2.954 ( 0.426 -4.458 -3.425) 5.638 3.055 ( 4.977 -3.624 -3.777) 7.223 3.166 ( 1.408 0.409 3.574) 3.863 3.216 ( 2.165 -4.626 6.902) 8.586 3.249 ( 2.406 -1.867 -4.572) 5.494 3.549 ( -1.838 1.100 -0.009) 2.142 3.576 ( -2.917 0.860 -0.769) 3.137 3.631 ( -1.574 -0.500 0.384) 1.695 3.709 ( -1.232 3.919 1.131) 4.261 3.786 ( -3.795 -1.518 1.268) 4.280 3.799 ( -1.202 5.136 -2.716) 5.933 3.860 ( -2.679 3.753 1.412) 4.822 3.920 ( -2.004 0.863 -0.719) 2.298 3.966 ( -0.303 0.184 0.042) 0.357 4.073 ( 0.224 1.391 -0.693) 1.570 4.092 ( 0.339 -1.333 6.329) 6.476 4.142 ( 0.105 0.461 -1.876) 1.935 4.158 ( 0.011 0.395 2.126) 2.162 4.191 ( -0.830 1.100 -4.140) 4.363 4.264 ( 1.646 -1.831 0.743) 2.572 4.338 ( 1.364 -0.237 -1.515) 2.053 4.415 ( -0.348 0.414 0.965) 1.106 4.454 ( -0.977 -0.317 -0.707) 1.247 4.874 ( -0.287 0.166 0.553) 0.644 4.904 ( -0.674 0.101 -0.434) 0.808 5.122 ( 6.289 -6.872 0.933) 9.361 5.127 ( 7.832 -6.216 -0.967) 10.045 5.429 ( -2.011 2.071 0.198) 2.894 5.474 ( -2.086 2.109 0.093) 2.968 5.549 ( -1.949 1.555 -2.799) 3.748 5.596 ( -1.786 3.125 2.120) 4.178 5.655 ( -3.720 3.821 -3.098) 6.167 5.711 ( -2.515 1.671 2.558) 3.958 5.874 ( -0.366 -0.836 0.590) 1.086 5.906 ( -0.289 -0.139 -0.889) 0.945 6.111 ( 1.311 -1.411 1.004) 2.172 6.130 ( 0.996 -0.666 -1.042) 1.588 ======================= Grid point 153 (80/89) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.000 -0.000 0.000) 0.000 1.599 ( 0.000 -0.000 0.000) 0.000 1.661 ( -0.000 0.000 0.000) 0.000 1.668 ( 0.000 -0.000 -0.000) 0.000 1.836 ( 0.000 0.000 0.000) 0.000 1.897 ( 0.000 -0.000 -0.000) 0.000 2.239 ( 0.000 -0.000 0.000) 0.000 2.336 ( 0.000 -0.000 -0.000) 0.000 2.395 ( -0.000 -0.000 -0.000) 0.000 2.481 ( -0.000 -0.000 0.000) 0.000 2.515 ( 0.000 -0.000 -0.000) 0.000 2.601 ( 0.000 0.000 -0.000) 0.000 2.648 ( -0.000 0.000 0.000) 0.000 2.659 ( 0.000 -0.000 -0.000) 0.000 2.773 ( -0.000 -0.000 0.000) 0.000 2.810 ( -0.000 -0.000 -0.000) 0.000 2.819 ( 0.000 0.000 -0.000) 0.000 2.994 ( 0.000 0.000 0.000) 0.000 3.121 ( 0.000 -0.000 0.000) 0.000 3.150 ( 0.000 -0.000 -0.000) 0.000 3.274 ( 0.000 -0.000 -0.000) 0.000 3.328 ( 0.000 -0.000 0.000) 0.000 3.524 ( 0.000 -0.000 -0.000) 0.000 3.532 ( 0.000 -0.000 0.000) 0.000 3.644 ( -0.000 0.000 0.000) 0.000 3.649 ( 0.000 -0.000 -0.000) 0.000 3.727 ( 0.000 -0.000 0.000) 0.000 3.755 ( 0.000 0.000 -0.000) 0.000 3.824 ( 0.000 -0.000 -0.000) 0.000 3.907 ( 0.000 -0.000 -0.000) 0.000 3.968 ( -0.000 -0.000 -0.000) 0.000 4.061 ( 0.000 -0.000 0.000) 0.000 4.119 ( -0.000 0.000 -0.000) 0.000 4.138 ( 0.000 -0.000 -0.000) 0.000 4.159 ( -0.000 -0.000 -0.000) 0.000 4.167 ( 0.000 -0.000 0.000) 0.000 4.306 ( 0.000 -0.000 0.000) 0.000 4.326 ( -0.000 0.000 -0.000) 0.000 4.421 ( 0.000 -0.000 -0.000) 0.000 4.438 ( -0.000 -0.000 -0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 4.897 ( -0.000 -0.000 -0.000) 0.000 5.255 ( 0.000 -0.000 0.000) 0.000 5.259 ( -0.000 0.000 -0.000) 0.000 5.403 ( 0.000 -0.000 -0.000) 0.000 5.437 ( 0.000 -0.000 -0.000) 0.000 5.490 ( 0.000 -0.000 0.000) 0.000 5.515 ( 0.000 -0.000 -0.000) 0.000 5.606 ( 0.000 -0.000 -0.000) 0.000 5.684 ( 0.000 -0.000 0.000) 0.000 5.881 ( 0.000 -0.000 -0.000) 0.000 5.909 ( 0.000 -0.000 0.000) 0.000 6.133 ( 0.000 -0.000 0.000) 0.000 6.140 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 158 (81/89) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -0.646 0.000 8.149) 8.175 1.442 ( 4.387 -0.000 11.366) 12.183 1.451 ( 5.760 -0.000 -11.296) 12.680 1.630 ( 7.485 -0.000 -10.183) 12.638 1.941 ( -2.440 0.000 0.247) 2.452 1.992 ( -3.697 0.000 7.944) 8.762 2.308 ( 0.373 -0.000 -1.633) 1.675 2.358 ( -1.851 0.000 -2.201) 2.876 2.421 ( -0.841 0.000 1.505) 1.724 2.432 ( -0.348 0.000 -2.349) 2.375 2.567 ( -3.145 0.000 -1.604) 3.530 2.634 ( -1.672 0.000 -1.294) 2.114 2.665 ( 0.673 -0.000 4.611) 4.660 2.710 ( 5.282 -0.000 -2.146) 5.702 2.720 ( 0.809 -0.000 -4.224) 4.301 2.799 ( 5.033 -0.000 -2.859) 5.788 2.844 ( 3.393 -0.000 -3.793) 5.089 2.855 ( 4.041 -0.000 3.767) 5.524 2.935 ( 2.508 -0.000 -1.629) 2.991 3.116 ( 3.869 -0.000 4.657) 6.054 3.205 ( -0.305 0.000 -16.270) 16.273 3.223 ( -0.149 0.000 13.777) 13.778 3.568 ( -0.847 0.000 -0.943) 1.267 3.577 ( -1.310 0.000 -0.241) 1.333 3.638 ( -4.083 0.000 0.400) 4.102 3.725 ( -5.490 0.000 2.809) 6.167 3.766 ( -0.910 0.000 1.290) 1.578 3.897 ( -3.021 0.000 -2.829) 4.139 3.926 ( -0.790 0.000 -0.433) 0.901 3.942 ( -5.258 0.000 3.601) 6.373 3.948 ( -3.744 0.000 2.911) 4.742 4.072 ( 0.130 -0.000 -6.324) 6.325 4.128 ( -0.273 0.000 4.766) 4.774 4.158 ( 0.985 -0.000 0.828) 1.287 4.166 ( 0.135 -0.000 -0.198) 0.239 4.212 ( -0.575 0.000 -1.267) 1.391 4.215 ( -0.413 0.000 -0.260) 0.488 4.312 ( 2.443 -0.000 -1.072) 2.668 4.425 ( 0.623 -0.000 1.424) 1.554 4.446 ( -0.033 0.000 -0.776) 0.776 4.910 ( 3.221 -0.000 1.727) 3.655 4.928 ( 2.484 -0.000 -0.032) 2.484 4.991 ( 4.178 -0.000 -5.263) 6.720 5.003 ( 5.239 -0.000 2.924) 6.000 5.474 ( -2.625 0.000 -1.129) 2.857 5.520 ( -2.437 0.000 1.752) 3.002 5.558 ( -3.562 0.000 -3.512) 5.002 5.604 ( -2.979 0.000 0.925) 3.120 5.718 ( -4.057 0.000 -2.977) 5.032 5.719 ( -2.222 0.000 2.401) 3.271 5.907 ( 0.598 -0.000 -8.885) 8.905 5.910 ( 2.044 -0.000 9.579) 9.794 6.085 ( 0.020 -0.000 -0.469) 0.469 6.099 ( 0.551 -0.000 0.062) 0.555 ======================= Grid point 159 (82/89) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 1.487 -1.047 4.461) 4.818 1.526 ( 4.610 -3.007 6.230) 8.313 1.550 ( 5.759 -1.727 -5.082) 7.873 1.729 ( 6.377 -0.394 -10.301) 12.122 1.883 ( -3.633 2.914 2.126) 5.120 1.922 ( -4.899 0.472 5.435) 7.332 2.298 ( -0.195 3.202 1.992) 3.776 2.348 ( 0.189 -0.065 -3.007) 3.014 2.404 ( 0.189 0.564 3.358) 3.410 2.460 ( 2.062 -1.998 -1.692) 3.333 2.512 ( -3.315 0.545 -2.593) 4.244 2.612 ( -1.207 -0.049 -1.045) 1.598 2.672 ( 0.686 0.499 3.633) 3.731 2.710 ( 2.853 4.118 -6.437) 8.157 2.735 ( -0.805 -0.390 1.285) 1.565 2.850 ( 3.678 1.287 -2.684) 4.731 2.868 ( 2.145 3.196 2.084) 4.377 2.937 ( 5.938 -2.629 -7.113) 9.632 3.064 ( 5.968 -5.211 2.223) 8.229 3.177 ( -0.020 -3.368 7.502) 8.223 3.190 ( 0.574 1.209 -4.167) 4.376 3.252 ( 3.071 -2.826 -2.303) 4.767 3.537 ( -3.521 1.027 -1.034) 3.811 3.549 ( -1.521 0.573 -0.946) 1.880 3.593 ( -2.649 -0.979 1.140) 3.046 3.690 ( -3.944 -2.924 2.013) 5.306 3.727 ( -2.388 2.434 1.408) 3.689 3.818 ( -6.111 1.046 5.405) 8.225 3.835 ( -3.095 3.231 -1.903) 4.862 3.901 ( -3.139 -1.513 0.350) 3.502 3.951 ( 0.913 0.815 -1.759) 2.143 4.070 ( -0.592 -0.556 -3.827) 3.913 4.124 ( 1.222 0.650 6.686) 6.828 4.154 ( -0.883 -0.365 1.598) 1.862 4.160 ( -0.017 0.951 -0.143) 0.962 4.190 ( -1.800 0.831 -4.724) 5.123 4.248 ( 2.078 -2.510 -0.628) 3.319 4.348 ( 1.320 0.429 -0.302) 1.420 4.426 ( 0.076 0.515 1.032) 1.156 4.436 ( -1.065 -0.138 -0.119) 1.081 4.923 ( 3.161 3.852 -2.774) 5.703 4.936 ( 2.458 2.680 3.865) 5.307 5.104 ( 4.824 -6.252 0.596) 7.919 5.137 ( 6.467 -6.515 -2.697) 9.567 5.430 ( -1.441 1.458 -0.196) 2.059 5.473 ( -2.137 2.062 -0.061) 2.970 5.506 ( -4.600 -0.744 -2.712) 5.392 5.577 ( -3.963 -1.980 1.345) 4.630 5.622 ( -5.689 3.788 -1.558) 7.010 5.673 ( -4.061 0.230 1.592) 4.368 5.910 ( 2.915 1.759 -3.858) 5.145 5.942 ( 2.749 1.460 3.649) 4.797 6.092 ( -0.392 -1.818 0.348) 1.892 6.116 ( -0.478 -1.613 -0.514) 1.759 ======================= Grid point 160 (83/89) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 2.743 0.344 -0.388) 2.792 1.605 ( 0.382 -1.104 8.424) 8.505 1.636 ( 4.168 -1.128 -11.179) 11.984 1.738 ( -1.201 5.486 6.407) 8.520 1.833 ( 0.100 -0.421 1.270) 1.342 1.877 ( -0.705 -1.360 -4.769) 5.009 2.255 ( -0.411 1.698 2.232) 2.835 2.325 ( -2.581 0.160 0.084) 2.587 2.414 ( 2.341 1.211 -2.962) 3.965 2.481 ( 0.537 0.408 -1.392) 1.546 2.530 ( 3.023 -1.678 2.752) 4.419 2.600 ( -0.589 0.585 -0.775) 1.136 2.668 ( 1.248 1.722 0.689) 2.236 2.694 ( 2.234 2.409 -3.997) 5.174 2.728 ( -2.264 -1.333 3.111) 4.072 2.835 ( -0.517 3.716 1.387) 4.000 2.866 ( 2.451 2.058 -1.990) 3.769 3.019 ( 2.841 -0.246 -0.649) 2.925 3.134 ( -2.140 3.196 8.193) 9.051 3.141 ( 1.307 -0.435 -10.077) 10.171 3.257 ( 0.423 -2.349 2.174) 3.229 3.328 ( 0.096 -0.443 -1.673) 1.733 3.507 ( -0.360 -2.691 -1.019) 2.900 3.522 ( -1.347 -0.587 0.341) 1.509 3.593 ( -1.138 -3.230 -0.155) 3.428 3.666 ( -0.651 0.957 1.734) 2.085 3.676 ( -3.039 -2.098 2.189) 4.293 3.777 ( 0.202 -1.241 1.239) 1.765 3.791 ( 0.303 0.125 -1.892) 1.920 3.893 ( -3.355 -3.506 0.801) 4.919 3.949 ( 1.398 1.494 -0.722) 2.169 4.066 ( -0.711 -0.251 -3.042) 3.134 4.141 ( -0.902 0.173 0.355) 0.985 4.148 ( 0.300 -0.730 1.540) 1.731 4.153 ( -0.091 0.703 2.184) 2.296 4.160 ( 0.645 0.275 -0.698) 0.989 4.307 ( 0.474 -2.374 -0.226) 2.431 4.317 ( -1.668 2.780 -1.643) 3.634 4.409 ( -0.427 0.152 0.088) 0.461 4.448 ( 1.086 -0.581 1.292) 1.785 4.915 ( 3.396 3.126 -4.349) 6.342 4.937 ( 3.164 2.643 5.016) 6.493 5.223 ( -1.099 -2.597 5.533) 6.210 5.250 ( -1.974 -0.208 -8.435) 8.665 5.391 ( -2.443 0.461 -0.948) 2.661 5.429 ( -0.177 -0.892 -1.513) 1.766 5.493 ( 2.077 -2.369 0.641) 3.215 5.513 ( -2.487 0.885 0.216) 2.648 5.551 ( -2.424 -1.870 3.844) 4.914 5.649 ( -1.656 -2.443 -1.571) 3.344 5.927 ( 3.181 2.048 -2.373) 4.466 5.952 ( 2.631 2.368 2.008) 4.069 6.106 ( -1.681 -1.677 -0.682) 2.470 6.123 ( -1.412 -1.246 0.840) 2.062 ======================= Grid point 161 (84/89) ======================= q-point: (-0.33 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 3.238 2.794 -4.721) 6.371 1.560 ( -4.018 3.435 2.462) 5.832 1.630 ( -0.324 5.690 5.508) 7.926 1.646 ( -1.100 4.878 -2.814) 5.738 1.874 ( 2.563 -3.114 6.918) 8.008 1.920 ( 0.104 -3.547 -8.704) 9.400 2.256 ( 1.020 -1.313 1.537) 2.264 2.300 ( -2.348 -1.830 0.152) 2.981 2.435 ( 3.537 1.011 -5.268) 6.425 2.492 ( 1.755 0.928 1.279) 2.361 2.558 ( -0.921 1.762 0.659) 2.095 2.588 ( -0.335 -1.441 3.512) 3.810 2.672 ( 2.395 1.229 -1.487) 3.075 2.697 ( 0.567 1.695 -2.930) 3.433 2.708 ( -1.458 -0.116 4.161) 4.411 2.758 ( -3.064 2.587 1.459) 4.268 2.871 ( 3.223 2.533 -1.343) 4.314 2.992 ( -4.303 2.602 0.956) 5.119 3.070 ( 1.564 4.965 4.719) 7.026 3.146 ( -1.364 0.816 -6.862) 7.044 3.240 ( -1.518 0.999 0.739) 1.961 3.243 ( -3.130 4.525 -0.294) 5.510 3.556 ( 2.191 -2.383 -0.811) 3.337 3.584 ( 1.653 -3.836 0.919) 4.277 3.646 ( -0.062 -0.078 0.940) 0.945 3.654 ( 0.101 -5.086 -1.108) 5.207 3.720 ( 0.529 -5.455 2.388) 5.978 3.789 ( -2.204 -3.137 -0.759) 3.908 3.851 ( 2.983 -1.843 -0.224) 3.513 3.900 ( -2.328 -2.811 -0.285) 3.661 3.970 ( 4.092 -0.470 1.198) 4.290 4.058 ( -1.441 -0.560 -4.511) 4.769 4.129 ( 0.885 0.097 -2.785) 2.923 4.146 ( -0.085 -0.288 2.591) 2.609 4.160 ( 1.484 1.039 -1.919) 2.639 4.187 ( 1.156 -1.335 6.671) 6.901 4.252 ( -2.404 2.013 -3.406) 4.630 4.297 ( -3.754 -0.266 1.044) 3.905 4.432 ( 2.254 -0.430 -0.362) 2.323 4.464 ( 0.113 -0.206 1.003) 1.030 4.926 ( 4.404 3.116 -3.578) 6.473 4.954 ( 4.216 2.433 4.190) 6.422 5.100 ( -7.967 5.832 3.955) 10.637 5.119 ( -7.064 5.676 -5.457) 10.579 5.426 ( 2.420 -2.875 -0.577) 3.802 5.465 ( 1.079 -2.685 -0.136) 2.897 5.524 ( -0.949 -2.206 1.703) 2.944 5.537 ( -1.956 -4.692 -1.485) 5.296 5.636 ( 3.972 -5.344 4.000) 7.767 5.684 ( 0.055 -3.939 -2.984) 4.941 5.934 ( 2.884 2.734 0.082) 3.974 5.949 ( 2.062 2.535 -0.372) 3.289 6.093 ( -1.787 -0.380 -0.898) 2.036 6.110 ( -2.222 -0.351 1.206) 2.553 ======================= Grid point 162 (85/89) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 1.420 4.252 -3.828) 5.895 1.448 ( -1.420 4.252 3.828) 5.895 1.549 ( -1.943 6.095 -7.851) 10.127 1.549 ( 1.943 6.095 7.851) 10.127 1.952 ( -1.670 -3.093 -6.461) 7.355 1.952 ( 1.670 -3.093 6.461) 7.355 2.312 ( -1.619 -3.506 -2.067) 4.380 2.312 ( 1.619 -3.506 2.067) 4.380 2.474 ( 2.891 0.463 -2.425) 3.802 2.474 ( -2.891 0.463 2.425) 3.802 2.549 ( -1.096 1.404 -2.373) 2.967 2.549 ( 1.096 1.404 2.373) 2.967 2.683 ( 0.131 0.532 -5.130) 5.159 2.683 ( -0.131 0.532 5.130) 5.159 2.708 ( -0.155 0.120 -6.003) 6.006 2.708 ( 0.155 0.120 6.003) 6.006 2.882 ( -0.719 3.731 -6.435) 7.473 2.882 ( 0.719 3.731 6.435) 7.473 3.049 ( -4.348 4.142 -4.087) 7.264 3.049 ( 4.348 4.142 4.087) 7.264 3.216 ( 0.175 0.152 -13.817) 13.819 3.216 ( -0.175 0.152 13.817) 13.819 3.600 ( -0.268 0.240 -0.275) 0.453 3.600 ( 0.268 0.240 0.275) 0.453 3.694 ( -2.211 -3.122 -0.782) 3.905 3.694 ( 2.211 -3.122 0.782) 3.905 3.818 ( -0.683 -4.797 -2.910) 5.652 3.818 ( 0.683 -4.797 2.910) 5.652 3.902 ( -1.044 -2.022 -2.966) 3.739 3.902 ( 1.044 -2.022 2.966) 3.739 4.038 ( -0.875 -0.981 -6.791) 6.917 4.038 ( 0.875 -0.981 6.791) 6.917 4.149 ( -0.071 -0.137 -2.517) 2.522 4.149 ( 0.071 -0.137 2.517) 2.522 4.185 ( -0.085 0.073 -2.444) 2.447 4.185 ( 0.085 0.073 2.444) 2.447 4.245 ( 1.032 -0.488 -1.725) 2.069 4.245 ( -1.032 -0.488 1.725) 2.069 4.451 ( 0.416 1.083 -1.142) 1.628 4.451 ( -0.416 1.083 1.142) 1.628 4.939 ( 3.082 4.327 -3.343) 6.276 4.939 ( -3.082 4.327 3.343) 6.276 4.975 ( -3.063 3.076 -4.493) 6.248 4.975 ( 3.063 3.076 4.493) 6.248 5.500 ( -1.147 -2.623 -1.082) 3.060 5.500 ( 1.147 -2.623 1.082) 3.060 5.566 ( -1.749 -3.529 -2.039) 4.435 5.566 ( 1.749 -3.529 2.039) 4.435 5.726 ( -0.931 -2.694 -2.761) 3.968 5.726 ( 0.931 -2.694 2.761) 3.968 5.930 ( 0.031 1.856 -9.363) 9.545 5.930 ( -0.031 1.856 9.363) 9.545 6.086 ( 0.435 0.198 -0.986) 1.096 6.086 ( -0.435 0.198 0.986) 1.096 ======================= Grid point 166 (86/89) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 89 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 3.775 -0.000 -1.188) 3.958 1.565 ( 3.550 -0.000 10.713) 11.286 1.635 ( 7.084 -0.000 -5.630) 9.049 1.799 ( 3.906 -0.000 -10.072) 10.803 1.837 ( -5.476 0.000 4.891) 7.342 1.872 ( -2.537 0.000 1.155) 2.788 2.295 ( -2.436 0.000 2.512) 3.499 2.331 ( -3.938 0.000 2.037) 4.433 2.460 ( 6.477 -0.000 1.800) 6.723 2.469 ( 2.060 -0.000 0.670) 2.166 2.490 ( -0.470 0.000 -5.578) 5.597 2.596 ( -0.361 0.000 0.260) 0.445 2.691 ( 0.962 -0.000 3.020) 3.170 2.709 ( -1.085 0.000 0.699) 1.291 2.793 ( 1.714 -0.000 -10.463) 10.603 2.883 ( 1.205 -0.000 0.612) 1.351 2.925 ( 2.621 -0.000 -11.049) 11.356 3.023 ( 6.040 -0.000 10.542) 12.150 3.107 ( 6.740 -0.000 0.069) 6.740 3.140 ( -1.643 0.000 9.146) 9.293 3.219 ( 2.203 -0.000 -12.326) 12.522 3.266 ( 3.299 -0.000 1.021) 3.453 3.478 ( -5.792 0.000 -2.337) 6.245 3.528 ( -3.916 0.000 1.511) 4.197 3.547 ( -1.258 0.000 -0.630) 1.407 3.633 ( -2.201 0.000 2.499) 3.330 3.729 ( -0.569 0.000 1.934) 2.016 3.736 ( -4.361 0.000 4.430) 6.216 3.814 ( -2.904 0.000 -0.466) 2.941 3.851 ( -3.440 0.000 1.605) 3.797 3.967 ( 0.877 -0.000 -1.649) 1.868 4.049 ( -1.392 0.000 -6.447) 6.596 4.127 ( -1.841 0.000 2.593) 3.180 4.140 ( 0.132 -0.000 2.198) 2.202 4.161 ( -2.044 0.000 2.969) 3.605 4.168 ( 0.367 -0.000 -1.685) 1.725 4.259 ( 1.808 -0.000 -2.485) 3.074 4.373 ( -0.553 0.000 -0.436) 0.704 4.418 ( 0.296 -0.000 0.453) 0.541 4.434 ( 0.222 -0.000 1.085) 1.107 5.007 ( 3.234 -0.000 3.247) 4.582 5.027 ( 4.862 -0.000 1.190) 5.005 5.105 ( 3.481 -0.000 -5.443) 6.461 5.147 ( 4.344 -0.000 -0.035) 4.344 5.418 ( -3.122 0.000 0.113) 3.124 5.438 ( -4.543 0.000 -1.201) 4.699 5.461 ( -2.376 0.000 2.484) 3.438 5.494 ( -2.789 0.000 -6.327) 6.914 5.591 ( -3.732 0.000 3.009) 4.794 5.622 ( -3.315 0.000 0.053) 3.316 5.962 ( 2.849 -0.000 -8.800) 9.250 5.991 ( 2.709 -0.000 9.637) 10.011 6.066 ( -1.417 0.000 2.023) 2.470 6.090 ( -1.202 0.000 -2.996) 3.228 ======================= Grid point 167 (87/89) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 4.932 -0.117 -4.470) 6.657 1.593 ( -1.220 -0.208 8.224) 8.316 1.707 ( 4.449 1.447 -9.704) 10.773 1.758 ( -2.643 1.817 14.327) 14.682 1.834 ( 0.144 0.167 2.022) 2.034 1.856 ( -0.003 -1.188 -11.706) 11.766 2.260 ( -1.211 0.925 2.121) 2.612 2.281 ( -3.017 -0.111 1.345) 3.306 2.479 ( 2.111 1.202 -3.153) 3.980 2.490 ( 0.751 -0.397 -0.002) 0.850 2.551 ( 3.687 -0.138 1.294) 3.910 2.607 ( 0.654 0.212 0.240) 0.728 2.686 ( -0.738 -0.020 1.922) 2.059 2.702 ( -0.353 -0.416 0.936) 1.083 2.783 ( 2.946 4.281 -7.402) 9.044 2.865 ( -2.115 2.607 1.567) 3.705 2.939 ( 3.286 2.759 -4.068) 5.913 3.033 ( -2.105 1.550 6.767) 7.254 3.142 ( 2.697 0.731 -1.049) 2.984 3.213 ( 2.058 3.598 -4.861) 6.389 3.237 ( 3.044 -3.238 3.683) 5.772 3.314 ( -0.368 -0.843 -1.096) 1.430 3.436 ( -2.259 -4.561 -3.038) 5.927 3.466 ( -4.654 -1.197 2.642) 5.484 3.554 ( 0.738 -1.525 -1.169) 2.058 3.609 ( -2.781 -1.429 1.744) 3.580 3.692 ( 1.590 1.660 1.916) 2.993 3.757 ( -1.096 -0.491 2.121) 2.437 3.784 ( -0.143 -2.026 -2.075) 2.903 3.821 ( -2.094 -1.964 1.568) 3.271 3.978 ( 1.520 0.398 0.173) 1.581 4.036 ( -1.887 -0.996 -5.786) 6.167 4.114 ( -1.220 -1.093 1.784) 2.422 4.120 ( -1.857 -0.548 -1.231) 2.294 4.164 ( 0.924 -0.406 9.230) 9.285 4.174 ( 0.503 -0.011 -5.042) 5.067 4.285 ( 0.593 -0.640 -0.262) 0.911 4.329 ( -2.546 2.093 -1.633) 3.678 4.424 ( 1.550 0.585 -0.315) 1.686 4.448 ( 0.165 -0.673 1.446) 1.604 5.020 ( 4.412 3.368 -0.018) 5.551 5.044 ( 4.375 4.185 1.964) 6.365 5.169 ( -0.909 -2.171 1.504) 2.793 5.210 ( -2.041 -0.595 -5.208) 5.626 5.351 ( -2.773 -0.803 -1.884) 3.447 5.389 ( -3.648 -2.690 2.581) 5.215 5.458 ( 0.059 -0.928 -0.058) 0.931 5.491 ( -0.351 -0.983 -2.296) 2.522 5.550 ( 0.660 0.619 1.949) 2.148 5.598 ( -1.667 -1.498 -0.138) 2.246 5.988 ( 2.555 1.000 -4.541) 5.306 6.012 ( 1.676 1.440 4.624) 5.125 6.059 ( -1.413 -1.557 2.036) 2.927 6.080 ( -1.861 -1.213 -2.133) 3.079 ======================= Grid point 168 (88/89) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 3.309 1.797 -7.375) 8.281 1.538 ( -3.309 1.797 7.375) 8.281 1.701 ( 1.157 3.919 -14.775) 15.330 1.701 ( -1.157 3.919 14.775) 15.330 1.867 ( -1.597 -2.315 -11.779) 12.110 1.867 ( 1.597 -2.315 11.779) 12.110 2.256 ( -0.645 -0.494 -1.083) 1.354 2.256 ( 0.645 -0.494 1.083) 1.354 2.495 ( 0.392 0.438 -4.991) 5.026 2.495 ( -0.392 0.438 4.991) 5.026 2.575 ( -0.070 0.912 -1.068) 1.406 2.575 ( 0.070 0.912 1.068) 1.406 2.701 ( -0.273 -0.342 -2.695) 2.730 2.701 ( 0.273 -0.342 2.695) 2.730 2.767 ( 1.830 4.729 -7.219) 8.822 2.767 ( -1.830 4.729 7.219) 8.822 2.956 ( 1.629 2.181 -4.204) 5.009 2.956 ( -1.629 2.181 4.204) 5.009 3.161 ( 0.064 2.801 -3.668) 4.616 3.161 ( -0.064 2.801 3.668) 4.616 3.259 ( -0.919 3.112 -4.429) 5.490 3.259 ( 0.919 3.112 4.429) 5.490 3.512 ( -0.222 -6.838 -3.140) 7.528 3.512 ( 0.222 -6.838 3.140) 7.528 3.605 ( 1.842 -2.910 -1.021) 3.593 3.605 ( -1.842 -2.910 1.021) 3.593 3.719 ( -3.333 -0.454 -0.978) 3.503 3.719 ( 3.333 -0.454 0.978) 3.503 3.844 ( 0.563 -3.150 -3.069) 4.434 3.844 ( -0.563 -3.150 3.069) 4.434 4.011 ( -2.781 -0.662 -4.931) 5.699 4.011 ( 2.781 -0.662 4.931) 5.699 4.124 ( 0.547 -1.418 -1.973) 2.490 4.124 ( -0.547 -1.418 1.973) 2.490 4.181 ( 0.227 -0.492 -6.883) 6.904 4.181 ( -0.227 -0.492 6.883) 6.904 4.276 ( 0.085 2.157 -2.032) 2.964 4.276 ( -0.085 2.157 2.032) 2.964 4.449 ( 0.888 -0.698 -1.391) 1.792 4.449 ( -0.888 -0.698 1.391) 1.792 5.038 ( 1.671 2.771 -5.419) 6.311 5.038 ( -1.671 2.771 5.419) 6.311 5.109 ( -1.574 5.379 -7.148) 9.083 5.109 ( 1.574 5.379 7.148) 9.083 5.407 ( 0.848 -4.369 -2.168) 4.950 5.407 ( -0.848 -4.369 2.168) 4.950 5.485 ( 1.209 -1.444 -1.392) 2.342 5.485 ( -1.209 -1.444 1.392) 2.342 5.612 ( -1.363 -4.160 -3.548) 5.635 5.612 ( 1.363 -4.160 3.548) 5.635 5.995 ( -0.069 2.148 -9.718) 9.953 5.995 ( 0.069 2.148 9.718) 9.953 6.073 ( -0.878 -1.233 -1.417) 2.073 6.073 ( 0.878 -1.233 1.417) 2.073 ======================= Grid point 175 (89/89) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 4.854 -0.000 -6.997) 8.516 1.552 ( -4.854 0.000 6.997) 8.516 1.754 ( 0.955 -0.000 -12.585) 12.621 1.754 ( -0.955 0.000 12.585) 12.621 1.838 ( -0.589 0.000 -12.952) 12.966 1.838 ( 0.589 -0.000 12.952) 12.966 2.258 ( -0.298 0.000 -0.612) 0.681 2.258 ( 0.298 -0.000 0.612) 0.681 2.489 ( 0.415 -0.000 -5.992) 6.006 2.489 ( -0.415 0.000 5.992) 6.006 2.612 ( 1.325 -0.000 -0.487) 1.412 2.612 ( -1.325 0.000 0.487) 1.412 2.680 ( -0.519 0.000 -1.760) 1.835 2.680 ( 0.519 -0.000 1.760) 1.835 2.850 ( 2.803 -0.000 -1.978) 3.431 2.850 ( -2.803 0.000 1.978) 3.431 3.006 ( 3.833 -0.000 -10.388) 11.073 3.006 ( -3.833 0.000 10.388) 11.073 3.217 ( -3.086 0.000 -6.065) 6.805 3.217 ( 3.086 -0.000 6.065) 6.805 3.275 ( -5.475 0.000 -3.297) 6.391 3.275 ( 5.475 -0.000 3.297) 6.391 3.399 ( 3.682 -0.000 -2.245) 4.313 3.399 ( -3.682 0.000 2.245) 4.313 3.565 ( 2.214 -0.000 -1.369) 2.603 3.565 ( -2.214 0.000 1.369) 2.603 3.737 ( 1.949 -0.000 -1.716) 2.597 3.737 ( -1.949 0.000 1.716) 2.597 3.771 ( 2.021 -0.000 -0.805) 2.175 3.771 ( -2.021 0.000 0.805) 2.175 4.003 ( -1.836 0.000 -3.244) 3.728 4.003 ( 1.836 -0.000 3.244) 3.728 4.099 ( -0.360 0.000 -1.699) 1.737 4.099 ( 0.360 -0.000 1.699) 1.737 4.172 ( -0.435 0.000 -8.455) 8.466 4.172 ( 0.435 -0.000 8.455) 8.466 4.306 ( -2.404 0.000 -1.476) 2.821 4.306 ( 2.404 -0.000 1.476) 2.821 4.442 ( 0.056 -0.000 -0.393) 0.396 4.442 ( -0.055 0.000 0.393) 0.396 5.086 ( -1.543 0.000 -8.318) 8.460 5.086 ( 1.543 -0.000 8.318) 8.460 5.190 ( -2.164 0.000 -8.697) 8.963 5.190 ( 2.164 -0.000 8.697) 8.963 5.317 ( 0.327 -0.000 -6.001) 6.010 5.317 ( -0.327 0.000 6.001) 6.010 5.469 ( -1.653 0.000 -1.581) 2.287 5.469 ( 1.653 -0.000 1.581) 2.287 5.567 ( -1.499 0.000 0.382) 1.547 5.567 ( 1.499 -0.000 -0.382) 1.547 6.018 ( 1.420 -0.000 -7.977) 8.103 6.018 ( -1.420 0.000 7.977) 8.103 6.052 ( -1.110 0.000 -6.013) 6.115 6.052 ( 1.110 -0.000 6.013) 6.115 =================== 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 3/15552 10.0 91.542 84.102 141.227 -0.000 3.564 -0.000 3/15552 20.0 31.594 28.281 68.639 -0.000 -1.340 -0.000 3/15552 30.0 14.043 12.414 33.866 -0.000 -0.832 -0.000 3/15552 40.0 8.056 7.074 20.320 -0.000 -0.490 -0.000 3/15552 50.0 5.456 4.772 14.090 -0.000 -0.322 -0.000 3/15552 60.0 4.094 3.573 10.723 -0.000 -0.233 -0.000 3/15552 70.0 3.279 2.857 8.666 -0.000 -0.180 -0.000 3/15552 80.0 2.742 2.387 7.290 -0.000 -0.146 -0.000 3/15552 90.0 2.361 2.054 6.306 -0.000 -0.122 -0.000 3/15552 100.0 2.078 1.807 5.566 -0.000 -0.105 -0.000 3/15552 110.0 1.858 1.615 4.989 -0.000 -0.092 -0.000 3/15552 120.0 1.681 1.461 4.525 -0.000 -0.082 -0.000 3/15552 130.0 1.537 1.336 4.143 -0.000 -0.074 -0.000 3/15552 140.0 1.416 1.231 3.822 -0.000 -0.068 -0.000 3/15552 150.0 1.314 1.141 3.550 -0.000 -0.062 -0.000 3/15552 160.0 1.226 1.065 3.314 -0.000 -0.058 -0.000 3/15552 170.0 1.149 0.998 3.109 -0.000 -0.054 -0.000 3/15552 180.0 1.082 0.939 2.928 -0.000 -0.050 -0.000 3/15552 190.0 1.022 0.887 2.768 -0.000 -0.047 -0.000 3/15552 200.0 0.968 0.841 2.624 -0.000 -0.044 -0.000 3/15552 210.0 0.920 0.799 2.495 -0.000 -0.042 -0.000 3/15552 220.0 0.877 0.762 2.378 -0.000 -0.040 -0.000 3/15552 230.0 0.838 0.727 2.272 -0.000 -0.038 -0.000 3/15552 240.0 0.802 0.696 2.175 -0.000 -0.036 -0.000 3/15552 250.0 0.769 0.667 2.086 -0.000 -0.035 -0.000 3/15552 260.0 0.738 0.641 2.004 -0.000 -0.033 -0.000 3/15552 270.0 0.710 0.617 1.929 -0.000 -0.032 -0.000 3/15552 280.0 0.685 0.594 1.859 -0.000 -0.031 -0.000 3/15552 290.0 0.660 0.573 1.794 -0.000 -0.030 -0.000 3/15552 300.0 0.638 0.554 1.733 -0.000 -0.029 -0.000 3/15552 310.0 0.617 0.536 1.676 -0.000 -0.028 -0.000 3/15552 320.0 0.598 0.519 1.623 -0.000 -0.027 -0.000 3/15552 330.0 0.579 0.503 1.573 -0.000 -0.026 -0.000 3/15552 340.0 0.562 0.488 1.527 -0.000 -0.025 -0.000 3/15552 350.0 0.546 0.474 1.483 -0.000 -0.024 -0.000 3/15552 360.0 0.530 0.460 1.441 -0.000 -0.024 -0.000 3/15552 370.0 0.516 0.448 1.402 -0.000 -0.023 -0.000 3/15552 380.0 0.502 0.436 1.365 -0.000 -0.022 -0.000 3/15552 390.0 0.489 0.425 1.329 -0.000 -0.022 -0.000 3/15552 400.0 0.477 0.414 1.296 -0.000 -0.021 -0.000 3/15552 410.0 0.465 0.404 1.264 -0.000 -0.021 -0.000 3/15552 420.0 0.454 0.394 1.234 -0.000 -0.020 -0.000 3/15552 430.0 0.443 0.385 1.205 -0.000 -0.020 -0.000 3/15552 440.0 0.433 0.376 1.177 -0.000 -0.019 -0.000 3/15552 450.0 0.423 0.367 1.151 -0.000 -0.019 -0.000 3/15552 460.0 0.414 0.359 1.126 -0.000 -0.018 -0.000 3/15552 470.0 0.405 0.352 1.102 -0.000 -0.018 -0.000 3/15552 480.0 0.397 0.344 1.079 -0.000 -0.018 -0.000 3/15552 490.0 0.389 0.337 1.057 -0.000 -0.017 -0.000 3/15552 500.0 0.381 0.331 1.035 -0.000 -0.017 -0.000 3/15552 510.0 0.373 0.324 1.015 -0.000 -0.017 -0.000 3/15552 520.0 0.366 0.318 0.995 -0.000 -0.016 -0.000 3/15552 530.0 0.359 0.312 0.977 -0.000 -0.016 -0.000 3/15552 540.0 0.352 0.306 0.958 -0.000 -0.016 -0.000 3/15552 550.0 0.346 0.300 0.941 -0.000 -0.015 -0.000 3/15552 560.0 0.340 0.295 0.924 -0.000 -0.015 -0.000 3/15552 570.0 0.334 0.290 0.908 -0.000 -0.015 -0.000 3/15552 580.0 0.328 0.285 0.892 -0.000 -0.014 -0.000 3/15552 590.0 0.322 0.280 0.877 -0.000 -0.014 -0.000 3/15552 600.0 0.317 0.275 0.862 -0.000 -0.014 -0.000 3/15552 610.0 0.312 0.271 0.848 -0.000 -0.014 -0.000 3/15552 620.0 0.307 0.266 0.834 -0.000 -0.014 -0.000 3/15552 630.0 0.302 0.262 0.821 -0.000 -0.013 -0.000 3/15552 640.0 0.297 0.258 0.808 -0.000 -0.013 -0.000 3/15552 650.0 0.293 0.254 0.796 -0.000 -0.013 -0.000 3/15552 660.0 0.288 0.250 0.784 -0.000 -0.013 -0.000 3/15552 670.0 0.284 0.246 0.772 -0.000 -0.013 -0.000 3/15552 680.0 0.280 0.243 0.761 -0.000 -0.012 -0.000 3/15552 690.0 0.276 0.239 0.750 -0.000 -0.012 -0.000 3/15552 700.0 0.272 0.236 0.739 -0.000 -0.012 -0.000 3/15552 710.0 0.268 0.232 0.728 -0.000 -0.012 -0.000 3/15552 720.0 0.264 0.229 0.718 -0.000 -0.012 -0.000 3/15552 730.0 0.260 0.226 0.708 -0.000 -0.011 -0.000 3/15552 740.0 0.257 0.223 0.699 -0.000 -0.011 -0.000 3/15552 750.0 0.253 0.220 0.690 -0.000 -0.011 -0.000 3/15552 760.0 0.250 0.217 0.680 -0.000 -0.011 -0.000 3/15552 770.0 0.247 0.214 0.672 -0.000 -0.011 -0.000 3/15552 780.0 0.244 0.212 0.663 -0.000 -0.011 -0.000 3/15552 790.0 0.241 0.209 0.655 -0.000 -0.011 -0.000 3/15552 800.0 0.238 0.206 0.646 -0.000 -0.010 -0.000 3/15552 810.0 0.235 0.204 0.638 -0.000 -0.010 -0.000 3/15552 820.0 0.232 0.201 0.631 -0.000 -0.010 -0.000 3/15552 830.0 0.229 0.199 0.623 -0.000 -0.010 -0.000 3/15552 840.0 0.226 0.196 0.616 -0.000 -0.010 -0.000 3/15552 850.0 0.224 0.194 0.608 -0.000 -0.010 -0.000 3/15552 860.0 0.221 0.192 0.601 -0.000 -0.010 -0.000 3/15552 870.0 0.218 0.190 0.594 -0.000 -0.010 -0.000 3/15552 880.0 0.216 0.187 0.588 -0.000 -0.010 -0.000 3/15552 890.0 0.214 0.185 0.581 -0.000 -0.009 -0.000 3/15552 900.0 0.211 0.183 0.574 -0.000 -0.009 -0.000 3/15552 910.0 0.209 0.181 0.568 -0.000 -0.009 -0.000 3/15552 920.0 0.207 0.179 0.562 -0.000 -0.009 -0.000 3/15552 930.0 0.204 0.177 0.556 -0.000 -0.009 -0.000 3/15552 940.0 0.202 0.175 0.550 -0.000 -0.009 -0.000 3/15552 950.0 0.200 0.174 0.544 -0.000 -0.009 -0.000 3/15552 960.0 0.198 0.172 0.539 -0.000 -0.009 -0.000 3/15552 970.0 0.196 0.170 0.533 -0.000 -0.009 -0.000 3/15552 980.0 0.194 0.168 0.528 -0.000 -0.009 -0.000 3/15552 990.0 0.192 0.167 0.522 -0.000 -0.008 -0.000 3/15552 1000.0 0.190 0.165 0.517 -0.000 -0.008 -0.000 3/15552 Thermal conductivity related properties were written into "kappa-m668.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:34:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|