----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:36:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -5.187732540000000 6.566787495000000 3.192914700000000 b 5.187732540000000 -6.566787495000000 3.192914700000000 c 5.187732540000000 6.566787495000000 -3.192914700000000 Atomic positions (fractional): *1 O 0.28529539137039 0.41340826154559 0.14437211563928 15.999 2 O 0.76903614590631 0.14092327573111 0.35562788436072 15.999 3 O 0.71470460862961 0.85907672426889 0.12811287017520 15.999 4 O 0.23096385409369 0.58659173845441 0.37188712982480 15.999 5 O 0.71470460862961 0.58659173845441 0.85562788436072 15.999 6 O 0.23096385409369 0.85907672426889 0.64437211563928 15.999 7 O 0.28529539137039 0.14092327573111 0.87188712982480 15.999 8 O 0.76903614590631 0.41340826154559 0.62811287017520 15.999 *9 O 0.08007405861227 0.71737035090964 0.91573382949162 15.999 10 O 0.30163652141802 0.16434022912064 0.58426617050838 15.999 11 O 0.91992594138773 0.83565977087936 0.63729629229738 15.999 12 O 0.69836347858198 0.28262964909036 0.86270370770262 15.999 *13 O 0.70390660196908 0.55119765704085 0.15270894492823 15.999 14 O 0.89848871211262 0.55119765704085 0.34729105507177 15.999 15 O 0.29609339803092 0.44880234295915 0.84729105507177 15.999 16 O 0.10151128788738 0.44880234295915 0.65270894492823 15.999 *17 O 0.47646081200799 0.60313141988647 0.62667060787848 15.999 18 O 0.47646081200799 0.84979020412951 0.87332939212152 15.999 19 O 0.52353918799201 0.15020979587049 0.12667060787848 15.999 20 O 0.52353918799201 0.39686858011353 0.37332939212152 15.999 21 O 0.30163652141802 0.71737035090964 0.13729629229738 15.999 22 O 0.08007405861227 0.16434022912064 0.36270370770262 15.999 23 O 0.69836347858198 0.83565977087936 0.41573382949162 15.999 24 O 0.91992594138773 0.28262964909036 0.08426617050838 15.999 *25 P 0.17434684343025 0.50000000000000 0.17434684343025 30.974 26 P 0.82565315656976 0.00000000000000 0.32565315656975 30.974 27 P 0.82565315656976 0.50000000000000 0.82565315656976 30.974 28 P 0.17434684343025 0.00000000000000 0.67434684343024 30.974 *29 P 0.32863626303477 0.57863626303477 0.75000000000000 30.974 30 P 0.67136373696523 0.42136373696523 0.25000000000000 30.974 *31 Rh 0.61852911178671 0.00000000000000 0.11852911178671 102.906 32 Rh 0.38147088821329 0.50000000000000 0.38147088821329 102.906 33 Rh 0.38147088821329 0.00000000000000 0.88147088821329 102.906 34 Rh 0.61852911178671 0.50000000000000 0.61852911178671 102.906 *35 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 36 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.375465080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.133574990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.385829400000000 Atomic positions (fractional): *1 O 0.63624249290724 0.50812962273204 0.77716576863835 15.999 > 1 2 O 0.86375750709276 0.49187037726796 0.27716576863835 15.999 > 2 3 O 0.63624249290724 0.49187037726796 0.22283423136165 15.999 > 3 4 O 0.86375750709276 0.50812962273204 0.72283423136165 15.999 > 4 5 O 0.36375750709276 0.49187037726796 0.22283423136165 15.999 > 5 6 O 0.13624249290724 0.50812962273204 0.72283423136165 15.999 > 6 7 O 0.36375750709276 0.50812962273204 0.77716576863835 15.999 > 7 8 O 0.13624249290724 0.49187037726796 0.27716576863835 15.999 > 8 *9 O 0.27651506089450 0.63921876859712 0.44085529001514 15.999 > 9 10 O 0.22348493910550 0.36078123140288 0.94085529001514 15.999 > 10 11 O 0.27651506089450 0.36078123140288 0.55914470998486 15.999 > 11 12 O 0.22348493910550 0.63921876859712 0.05914470998486 15.999 > 12 *13 O 0.00000000000000 0.15270894492823 0.55119765704085 15.999 > 13 14 O 0.00000000000000 0.34729105507177 0.55119765704085 15.999 > 14 15 O 0.00000000000000 0.84729105507177 0.44880234295915 15.999 > 15 16 O 0.00000000000000 0.65270894492823 0.44880234295915 15.999 > 16 *17 O 0.87667060787848 0.75000000000000 0.72646081200799 15.999 > 17 18 O 0.12332939212152 0.75000000000000 0.72646081200799 15.999 > 18 19 O 0.87667060787848 0.25000000000000 0.27353918799201 15.999 > 19 20 O 0.12332939212152 0.25000000000000 0.27353918799201 15.999 > 20 21 O 0.77651506089450 0.36078123140288 0.94085529001514 15.999 > 21 22 O 0.72348493910550 0.63921876859712 0.44085529001514 15.999 > 22 23 O 0.77651506089450 0.63921876859712 0.05914470998486 15.999 > 23 24 O 0.72348493910550 0.36078123140288 0.55914470998486 15.999 > 24 25 O 0.13624249290724 0.00812962273204 0.27716576863835 15.999 > 1 26 O 0.36375750709276 0.99187037726796 0.77716576863835 15.999 > 2 27 O 0.13624249290724 0.99187037726796 0.72283423136165 15.999 > 3 28 O 0.36375750709276 0.00812962273204 0.22283423136165 15.999 > 4 29 O 0.86375750709276 0.99187037726796 0.72283423136165 15.999 > 5 30 O 0.63624249290724 0.00812962273204 0.22283423136165 15.999 > 6 31 O 0.86375750709276 0.00812962273204 0.27716576863835 15.999 > 7 32 O 0.63624249290724 0.99187037726796 0.77716576863835 15.999 > 8 33 O 0.77651506089450 0.13921876859712 0.94085529001514 15.999 > 9 34 O 0.72348493910550 0.86078123140288 0.44085529001514 15.999 > 10 35 O 0.77651506089450 0.86078123140288 0.05914470998486 15.999 > 11 36 O 0.72348493910550 0.13921876859712 0.55914470998486 15.999 > 12 37 O 0.50000000000000 0.65270894492823 0.05119765704085 15.999 > 13 38 O 0.50000000000000 0.84729105507177 0.05119765704085 15.999 > 14 39 O 0.50000000000000 0.34729105507177 0.94880234295915 15.999 > 15 40 O 0.50000000000000 0.15270894492823 0.94880234295915 15.999 > 16 41 O 0.37667060787848 0.25000000000000 0.22646081200799 15.999 > 17 42 O 0.62332939212152 0.25000000000000 0.22646081200799 15.999 > 18 43 O 0.37667060787848 0.75000000000000 0.77353918799201 15.999 > 19 44 O 0.62332939212152 0.75000000000000 0.77353918799201 15.999 > 20 45 O 0.27651506089450 0.86078123140288 0.44085529001514 15.999 > 21 46 O 0.22348493910550 0.13921876859712 0.94085529001514 15.999 > 22 47 O 0.27651506089450 0.13921876859712 0.55914470998486 15.999 > 23 48 O 0.22348493910550 0.86078123140288 0.05914470998486 15.999 > 24 *49 P 0.75000000000000 0.42434684343024 0.75000000000000 30.974 > 25 50 P 0.75000000000000 0.57565315656976 0.25000000000000 30.974 > 26 51 P 0.25000000000000 0.57565315656976 0.25000000000000 30.974 > 27 52 P 0.25000000000000 0.42434684343024 0.75000000000000 30.974 > 28 *53 P 0.00000000000000 0.75000000000000 0.57863626303477 30.974 > 29 54 P 0.00000000000000 0.25000000000000 0.42136373696523 30.974 > 30 55 P 0.25000000000000 0.92434684343024 0.25000000000000 30.974 > 25 56 P 0.25000000000000 0.07565315656976 0.75000000000000 30.974 > 26 57 P 0.75000000000000 0.07565315656976 0.75000000000000 30.974 > 27 58 P 0.75000000000000 0.92434684343024 0.25000000000000 30.974 > 28 59 P 0.50000000000000 0.25000000000000 0.07863626303477 30.974 > 29 60 P 0.50000000000000 0.75000000000000 0.92136373696523 30.974 > 30 *61 Rh 0.75000000000000 0.36852911178671 0.25000000000000 102.906 > 31 62 Rh 0.75000000000000 0.63147088821329 0.75000000000000 102.906 > 32 63 Rh 0.25000000000000 0.63147088821329 0.75000000000000 102.906 > 33 64 Rh 0.25000000000000 0.36852911178671 0.25000000000000 102.906 > 34 *65 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 35 66 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 36 67 Rh 0.25000000000000 0.86852911178671 0.75000000000000 102.906 > 31 68 Rh 0.25000000000000 0.13147088821329 0.25000000000000 102.906 > 32 69 Rh 0.75000000000000 0.13147088821329 0.25000000000000 102.906 > 33 70 Rh 0.75000000000000 0.86852911178671 0.75000000000000 102.906 > 34 71 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 35 72 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.375465080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.133574990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.771658800000001 Atomic positions (fractional): *1 O 0.63624249290724 0.50812962273204 0.38858288431917 15.999 > 1 2 O 0.63624249290724 0.50812962273204 0.88858288431917 15.999 > 1 3 O 0.86375750709276 0.49187037726796 0.13858288431917 15.999 > 2 4 O 0.86375750709276 0.49187037726796 0.63858288431917 15.999 > 2 5 O 0.63624249290724 0.49187037726796 0.11141711568083 15.999 > 3 6 O 0.63624249290724 0.49187037726796 0.61141711568083 15.999 > 3 7 O 0.86375750709276 0.50812962273204 0.36141711568083 15.999 > 4 8 O 0.86375750709276 0.50812962273204 0.86141711568083 15.999 > 4 9 O 0.36375750709276 0.49187037726796 0.11141711568083 15.999 > 5 10 O 0.36375750709276 0.49187037726796 0.61141711568083 15.999 > 5 11 O 0.13624249290724 0.50812962273204 0.36141711568083 15.999 > 6 12 O 0.13624249290724 0.50812962273204 0.86141711568083 15.999 > 6 13 O 0.36375750709276 0.50812962273204 0.38858288431917 15.999 > 7 14 O 0.36375750709276 0.50812962273204 0.88858288431917 15.999 > 7 15 O 0.13624249290724 0.49187037726796 0.13858288431917 15.999 > 8 16 O 0.13624249290724 0.49187037726796 0.63858288431917 15.999 > 8 *17 O 0.27651506089450 0.63921876859712 0.22042764500757 15.999 > 9 18 O 0.27651506089450 0.63921876859712 0.72042764500757 15.999 > 9 19 O 0.22348493910550 0.36078123140288 0.47042764500757 15.999 > 10 20 O 0.22348493910550 0.36078123140288 0.97042764500757 15.999 > 10 21 O 0.27651506089450 0.36078123140288 0.27957235499243 15.999 > 11 22 O 0.27651506089450 0.36078123140288 0.77957235499243 15.999 > 11 23 O 0.22348493910550 0.63921876859712 0.02957235499243 15.999 > 12 24 O 0.22348493910550 0.63921876859712 0.52957235499243 15.999 > 12 *25 O 0.00000000000000 0.15270894492823 0.27559882852043 15.999 > 13 26 O 0.00000000000000 0.15270894492823 0.77559882852043 15.999 > 13 27 O 0.00000000000000 0.34729105507177 0.27559882852043 15.999 > 14 28 O 0.00000000000000 0.34729105507177 0.77559882852043 15.999 > 14 29 O 0.00000000000000 0.84729105507177 0.22440117147957 15.999 > 15 30 O 0.00000000000000 0.84729105507177 0.72440117147957 15.999 > 15 31 O 0.00000000000000 0.65270894492823 0.22440117147957 15.999 > 16 32 O 0.00000000000000 0.65270894492823 0.72440117147957 15.999 > 16 *33 O 0.87667060787848 0.75000000000000 0.36323040600399 15.999 > 17 34 O 0.87667060787848 0.75000000000000 0.86323040600400 15.999 > 17 35 O 0.12332939212152 0.75000000000000 0.36323040600399 15.999 > 18 36 O 0.12332939212152 0.75000000000000 0.86323040600400 15.999 > 18 37 O 0.87667060787848 0.25000000000000 0.13676959399600 15.999 > 19 38 O 0.87667060787848 0.25000000000000 0.63676959399600 15.999 > 19 39 O 0.12332939212152 0.25000000000000 0.13676959399600 15.999 > 20 40 O 0.12332939212152 0.25000000000000 0.63676959399600 15.999 > 20 41 O 0.77651506089450 0.36078123140288 0.47042764500757 15.999 > 21 42 O 0.77651506089450 0.36078123140288 0.97042764500757 15.999 > 21 43 O 0.72348493910550 0.63921876859712 0.22042764500757 15.999 > 22 44 O 0.72348493910550 0.63921876859712 0.72042764500757 15.999 > 22 45 O 0.77651506089450 0.63921876859712 0.02957235499243 15.999 > 23 46 O 0.77651506089450 0.63921876859712 0.52957235499243 15.999 > 23 47 O 0.72348493910550 0.36078123140288 0.27957235499243 15.999 > 24 48 O 0.72348493910550 0.36078123140288 0.77957235499243 15.999 > 24 49 O 0.13624249290724 0.00812962273204 0.13858288431917 15.999 > 1 50 O 0.13624249290724 0.00812962273204 0.63858288431917 15.999 > 1 51 O 0.36375750709276 0.99187037726796 0.38858288431917 15.999 > 2 52 O 0.36375750709276 0.99187037726796 0.88858288431917 15.999 > 2 53 O 0.13624249290724 0.99187037726796 0.36141711568083 15.999 > 3 54 O 0.13624249290724 0.99187037726796 0.86141711568083 15.999 > 3 55 O 0.36375750709276 0.00812962273204 0.11141711568083 15.999 > 4 56 O 0.36375750709276 0.00812962273204 0.61141711568083 15.999 > 4 57 O 0.86375750709276 0.99187037726796 0.36141711568083 15.999 > 5 58 O 0.86375750709276 0.99187037726796 0.86141711568083 15.999 > 5 59 O 0.63624249290724 0.00812962273204 0.11141711568083 15.999 > 6 60 O 0.63624249290724 0.00812962273204 0.61141711568083 15.999 > 6 61 O 0.86375750709276 0.00812962273204 0.13858288431917 15.999 > 7 62 O 0.86375750709276 0.00812962273204 0.63858288431917 15.999 > 7 63 O 0.63624249290724 0.99187037726796 0.38858288431917 15.999 > 8 64 O 0.63624249290724 0.99187037726796 0.88858288431917 15.999 > 8 65 O 0.77651506089450 0.13921876859712 0.47042764500757 15.999 > 9 66 O 0.77651506089450 0.13921876859712 0.97042764500757 15.999 > 9 67 O 0.72348493910550 0.86078123140288 0.22042764500757 15.999 > 10 68 O 0.72348493910550 0.86078123140288 0.72042764500757 15.999 > 10 69 O 0.77651506089450 0.86078123140288 0.02957235499243 15.999 > 11 70 O 0.77651506089450 0.86078123140288 0.52957235499243 15.999 > 11 71 O 0.72348493910550 0.13921876859712 0.27957235499243 15.999 > 12 72 O 0.72348493910550 0.13921876859712 0.77957235499243 15.999 > 12 73 O 0.50000000000000 0.65270894492823 0.02559882852043 15.999 > 13 74 O 0.50000000000000 0.65270894492823 0.52559882852043 15.999 > 13 75 O 0.50000000000000 0.84729105507177 0.02559882852043 15.999 > 14 76 O 0.50000000000000 0.84729105507177 0.52559882852043 15.999 > 14 77 O 0.50000000000000 0.34729105507177 0.47440117147957 15.999 > 15 78 O 0.50000000000000 0.34729105507177 0.97440117147957 15.999 > 15 79 O 0.50000000000000 0.15270894492823 0.47440117147957 15.999 > 16 80 O 0.50000000000000 0.15270894492823 0.97440117147957 15.999 > 16 81 O 0.37667060787848 0.25000000000000 0.11323040600400 15.999 > 17 82 O 0.37667060787848 0.25000000000000 0.61323040600400 15.999 > 17 83 O 0.62332939212152 0.25000000000000 0.11323040600400 15.999 > 18 84 O 0.62332939212152 0.25000000000000 0.61323040600400 15.999 > 18 85 O 0.37667060787848 0.75000000000000 0.38676959399601 15.999 > 19 86 O 0.37667060787848 0.75000000000000 0.88676959399600 15.999 > 19 87 O 0.62332939212152 0.75000000000000 0.38676959399601 15.999 > 20 88 O 0.62332939212152 0.75000000000000 0.88676959399600 15.999 > 20 89 O 0.27651506089450 0.86078123140288 0.22042764500757 15.999 > 21 90 O 0.27651506089450 0.86078123140288 0.72042764500757 15.999 > 21 91 O 0.22348493910550 0.13921876859712 0.47042764500757 15.999 > 22 92 O 0.22348493910550 0.13921876859712 0.97042764500757 15.999 > 22 93 O 0.27651506089450 0.13921876859712 0.27957235499243 15.999 > 23 94 O 0.27651506089450 0.13921876859712 0.77957235499243 15.999 > 23 95 O 0.22348493910550 0.86078123140288 0.02957235499243 15.999 > 24 96 O 0.22348493910550 0.86078123140288 0.52957235499243 15.999 > 24 *97 P 0.75000000000000 0.42434684343024 0.37500000000000 30.974 > 25 98 P 0.75000000000000 0.42434684343024 0.87500000000000 30.974 > 25 99 P 0.75000000000000 0.57565315656976 0.12500000000000 30.974 > 26 100 P 0.75000000000000 0.57565315656976 0.62500000000000 30.974 > 26 101 P 0.25000000000000 0.57565315656976 0.12500000000000 30.974 > 27 102 P 0.25000000000000 0.57565315656976 0.62500000000000 30.974 > 27 103 P 0.25000000000000 0.42434684343024 0.37500000000000 30.974 > 28 104 P 0.25000000000000 0.42434684343024 0.87500000000000 30.974 > 28 *105 P 0.00000000000000 0.75000000000000 0.28931813151738 30.974 > 29 106 P 0.00000000000000 0.75000000000000 0.78931813151738 30.974 > 29 107 P 0.00000000000000 0.25000000000000 0.21068186848262 30.974 > 30 108 P 0.00000000000000 0.25000000000000 0.71068186848262 30.974 > 30 109 P 0.25000000000000 0.92434684343024 0.12500000000000 30.974 > 25 110 P 0.25000000000000 0.92434684343024 0.62500000000000 30.974 > 25 111 P 0.25000000000000 0.07565315656976 0.37500000000000 30.974 > 26 112 P 0.25000000000000 0.07565315656976 0.87500000000000 30.974 > 26 113 P 0.75000000000000 0.07565315656976 0.37500000000000 30.974 > 27 114 P 0.75000000000000 0.07565315656976 0.87500000000000 30.974 > 27 115 P 0.75000000000000 0.92434684343024 0.12500000000000 30.974 > 28 116 P 0.75000000000000 0.92434684343024 0.62500000000000 30.974 > 28 117 P 0.50000000000000 0.25000000000000 0.03931813151738 30.974 > 29 118 P 0.50000000000000 0.25000000000000 0.53931813151738 30.974 > 29 119 P 0.50000000000000 0.75000000000000 0.46068186848262 30.974 > 30 120 P 0.50000000000000 0.75000000000000 0.96068186848262 30.974 > 30 *121 Rh 0.75000000000000 0.36852911178671 0.12500000000000 102.906 > 31 122 Rh 0.75000000000000 0.36852911178671 0.62500000000000 102.906 > 31 123 Rh 0.75000000000000 0.63147088821329 0.37500000000000 102.906 > 32 124 Rh 0.75000000000000 0.63147088821329 0.87500000000000 102.906 > 32 125 Rh 0.25000000000000 0.63147088821329 0.37500000000000 102.906 > 33 126 Rh 0.25000000000000 0.63147088821329 0.87500000000000 102.906 > 33 127 Rh 0.25000000000000 0.36852911178671 0.12500000000000 102.906 > 34 128 Rh 0.25000000000000 0.36852911178671 0.62500000000000 102.906 > 34 *129 Rh 0.00000000000000 0.50000000000000 0.25000000000000 102.906 > 35 130 Rh 0.00000000000000 0.50000000000000 0.75000000000000 102.906 > 35 131 Rh 0.00000000000000 0.00000000000000 0.25000000000000 102.906 > 36 132 Rh 0.00000000000000 0.00000000000000 0.75000000000000 102.906 > 36 133 Rh 0.25000000000000 0.86852911178671 0.37500000000000 102.906 > 31 134 Rh 0.25000000000000 0.86852911178671 0.87500000000000 102.906 > 31 135 Rh 0.25000000000000 0.13147088821329 0.12500000000000 102.906 > 32 136 Rh 0.25000000000000 0.13147088821329 0.62500000000000 102.906 > 32 137 Rh 0.75000000000000 0.13147088821329 0.12500000000000 102.906 > 33 138 Rh 0.75000000000000 0.13147088821329 0.62500000000000 102.906 > 33 139 Rh 0.75000000000000 0.86852911178671 0.37500000000000 102.906 > 34 140 Rh 0.75000000000000 0.86852911178671 0.87500000000000 102.906 > 34 141 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 35 142 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 35 143 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 36 144 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6351426 0.0000000 0.0000000 0.0000000 5.5493701 0.0000000 0.0000000 0.0000000 5.8021029 -------------------------- Born effective charges -------------------------- 1 O -1.7337764 0.4090049 0.5417787 -0.0890375 -1.2309712 0.2115947 0.8324162 -0.2517299 -1.0160667 2 O -1.7337764 0.4090049 -0.5417787 -0.0890375 -1.2309712 -0.2115947 -0.8324162 0.2517299 -1.0160667 3 O -1.7337764 -0.4090049 -0.5417787 0.0890375 -1.2309712 0.2115947 -0.8324162 -0.2517299 -1.0160667 4 O -1.7337764 -0.4090049 0.5417787 0.0890375 -1.2309712 -0.2115947 0.8324162 0.2517299 -1.0160667 5 O -1.7337764 0.4090049 0.5417787 -0.0890375 -1.2309712 0.2115947 0.8324162 -0.2517299 -1.0160667 6 O -1.7337764 0.4090049 -0.5417787 -0.0890375 -1.2309712 -0.2115947 -0.8324162 0.2517299 -1.0160667 7 O -1.7337764 -0.4090049 -0.5417787 0.0890375 -1.2309712 0.2115947 -0.8324162 -0.2517299 -1.0160667 8 O -1.7337764 -0.4090049 0.5417787 0.0890375 -1.2309712 -0.2115947 0.8324162 0.2517299 -1.0160667 9 O -0.7299580 0.0030933 0.0299487 -0.0733943 -1.0295061 -0.3750454 0.0279960 -1.1889981 -3.3646477 10 O -0.7299580 0.0030933 -0.0299487 -0.0733943 -1.0295061 0.3750454 -0.0279960 1.1889981 -3.3646477 11 O -0.7299580 -0.0030933 -0.0299487 0.0733943 -1.0295061 -0.3750454 -0.0279960 -1.1889981 -3.3646477 12 O -0.7299580 -0.0030933 0.0299487 0.0733943 -1.0295061 0.3750454 0.0279960 1.1889981 -3.3646477 13 O -1.2274049 0.0000000 0.0000000 0.0000000 -3.2054710 1.1827574 0.0000000 0.5267854 -0.9826859 14 O -1.2274049 0.0000000 0.0000000 0.0000000 -3.2054710 -1.1827574 0.0000000 -0.5267854 -0.9826859 15 O -1.2274049 0.0000000 0.0000000 0.0000000 -3.2054710 1.1827574 0.0000000 0.5267854 -0.9826859 16 O -1.2274049 0.0000000 0.0000000 0.0000000 -3.2054710 -1.1827574 0.0000000 -0.5267854 -0.9826859 17 O -2.8576071 0.0000000 1.0566346 0.0000000 -2.0794408 0.0000000 0.8093374 0.0000000 -0.6759633 18 O -2.8576071 0.0000000 -1.0566346 0.0000000 -2.0794408 0.0000000 -0.8093374 0.0000000 -0.6759633 19 O -2.8576071 0.0000000 -1.0566346 0.0000000 -2.0794408 0.0000000 -0.8093374 0.0000000 -0.6759633 20 O -2.8576071 0.0000000 1.0566346 0.0000000 -2.0794408 0.0000000 0.8093374 0.0000000 -0.6759633 21 O -0.7299580 -0.0030933 0.0299487 0.0733943 -1.0295061 0.3750454 0.0279960 1.1889981 -3.3646477 22 O -0.7299580 -0.0030933 -0.0299487 0.0733943 -1.0295061 -0.3750454 -0.0279960 -1.1889981 -3.3646477 23 O -0.7299580 0.0030933 -0.0299487 -0.0733943 -1.0295061 0.3750454 -0.0279960 1.1889981 -3.3646477 24 O -0.7299580 0.0030933 0.0299487 -0.0733943 -1.0295061 -0.3750454 0.0279960 -1.1889981 -3.3646477 25 P 3.2324624 0.0000000 -0.0599047 0.0000000 3.6502080 0.0000000 -0.4541135 0.0000000 4.8001078 26 P 3.2324624 0.0000000 0.0599047 0.0000000 3.6502080 0.0000000 0.4541135 0.0000000 4.8001078 27 P 3.2324624 0.0000000 -0.0599047 0.0000000 3.6502080 0.0000000 -0.4541135 0.0000000 4.8001078 28 P 3.2324624 0.0000000 0.0599047 0.0000000 3.6502080 0.0000000 0.4541135 0.0000000 4.8001078 29 P 5.7666769 0.0000000 0.0000000 0.0000000 4.3472876 0.0000000 0.0000000 0.0000000 3.2664263 30 P 5.7666769 0.0000000 0.0000000 0.0000000 4.3472876 0.0000000 0.0000000 0.0000000 3.2664263 31 Rh 1.2608478 0.0000000 0.1106689 0.0000000 3.0362167 0.0000000 -0.2074252 0.0000000 2.9386531 32 Rh 1.2608478 0.0000000 -0.1106689 0.0000000 3.0362167 0.0000000 0.2074252 0.0000000 2.9386531 33 Rh 1.2608478 0.0000000 0.1106689 0.0000000 3.0362167 0.0000000 -0.2074252 0.0000000 2.9386531 34 Rh 1.2608478 0.0000000 -0.1106689 0.0000000 3.0362167 0.0000000 0.2074252 0.0000000 2.9386531 35 Rh 3.2716643 0.0000000 0.0000000 0.0000000 1.8915957 0.5790954 0.0000000 0.1695879 2.0962081 36 Rh 3.2716643 0.0000000 0.0000000 0.0000000 1.8915957 -0.5790954 0.0000000 -0.1695879 2.0962081 ---------------------------------------------------------------------------- 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: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3117 Number of blocks in projector: 3117 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: 648 Use submatrix version of eigh solver. (1) Block: 500 / 648 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 648 / 648 (1) 139 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 646 / 646 (1) 140 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 246 eigenvectors found. (2) Block: 500 / 584 (2) 246 eigenvectors found. (2) Block: 584 / 584 (2) 82 eigenvectors found. (2) Complementary block size: 10 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 580 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 413 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 413 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 413 Use standard eigh solver. Tree of FC basis block matrices: - (3117, 3071), data: False |-- (413, 405), data: True |-- (413, 405), data: True |-- (413, 405), data: True |-- (584, 580), data: False |-- (584, 580), data: False |-- (584, 6), data: (584, 10) @ (10, 6) |-- (84, 82), data: True |-- (250, 246), data: True |-- (250, 246), data: True |-- (646, 638), data: False |-- (646, 6), data: (646, 14) @ (14, 6) |-- (146, 140), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 242), data: True |-- (250, 244), data: True |-- (648, 638), data: False |-- (648, 9), data: (648, 19) @ (19, 9) |-- (148, 139), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.023 Solver_block: 200 / 560 - Time: 0.950 Solver_block: 300 / 560 - Time: 0.967 Solver_block: 400 / 560 - Time: 0.976 Solver_block: 500 / 560 - Time: 0.969 Solver_block: 560 / 560 - Time: 0.637 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.648 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3117 Number of blocks in projector: 3117 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: 648 Use submatrix version of eigh solver. (1) Block: 500 / 648 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 648 / 648 (1) 139 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 646 Use submatrix version of eigh solver. (1) Block: 500 / 646 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 646 / 646 (1) 140 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 246 eigenvectors found. (2) Block: 500 / 584 (2) 246 eigenvectors found. (2) Block: 584 / 584 (2) 82 eigenvectors found. (2) Complementary block size: 10 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 580 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 413 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 413 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 413 Use standard eigh solver. Tree of FC basis block matrices: - (3117, 3071), data: False |-- (413, 405), data: True |-- (413, 405), data: True |-- (413, 405), data: True |-- (584, 580), data: False |-- (584, 580), data: False |-- (584, 6), data: (584, 10) @ (10, 6) |-- (84, 82), data: True |-- (250, 246), data: True |-- (250, 246), data: True |-- (646, 638), data: False |-- (646, 6), data: (646, 14) @ (14, 6) |-- (146, 140), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 242), data: True |-- (250, 244), data: True |-- (648, 638), data: False |-- (648, 9), data: (648, 19) @ (19, 9) |-- (148, 139), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:37:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:37:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -5.187732540000000 6.566787495000000 3.192914700000000 b 5.187732540000000 -6.566787495000000 3.192914700000000 c 5.187732540000000 6.566787495000000 -3.192914700000000 Atomic positions (fractional): 1 O 0.28529539137039 0.41340826154559 0.14437211563928 15.999 2 O 0.76903614590631 0.14092327573111 0.35562788436072 15.999 3 O 0.71470460862961 0.85907672426889 0.12811287017520 15.999 4 O 0.23096385409369 0.58659173845441 0.37188712982480 15.999 5 O 0.71470460862961 0.58659173845441 0.85562788436072 15.999 6 O 0.23096385409369 0.85907672426889 0.64437211563928 15.999 7 O 0.28529539137039 0.14092327573111 0.87188712982480 15.999 8 O 0.76903614590631 0.41340826154559 0.62811287017520 15.999 9 O 0.08007405861227 0.71737035090964 0.91573382949162 15.999 10 O 0.30163652141802 0.16434022912064 0.58426617050838 15.999 11 O 0.91992594138773 0.83565977087936 0.63729629229738 15.999 12 O 0.69836347858198 0.28262964909036 0.86270370770262 15.999 13 O 0.70390660196908 0.55119765704085 0.15270894492823 15.999 14 O 0.89848871211262 0.55119765704085 0.34729105507177 15.999 15 O 0.29609339803092 0.44880234295915 0.84729105507177 15.999 16 O 0.10151128788738 0.44880234295915 0.65270894492823 15.999 17 O 0.47646081200799 0.60313141988647 0.62667060787848 15.999 18 O 0.47646081200799 0.84979020412951 0.87332939212152 15.999 19 O 0.52353918799201 0.15020979587049 0.12667060787848 15.999 20 O 0.52353918799201 0.39686858011353 0.37332939212152 15.999 21 O 0.30163652141802 0.71737035090964 0.13729629229738 15.999 22 O 0.08007405861227 0.16434022912064 0.36270370770262 15.999 23 O 0.69836347858198 0.83565977087936 0.41573382949162 15.999 24 O 0.91992594138773 0.28262964909036 0.08426617050838 15.999 25 P 0.17434684343025 0.50000000000000 0.17434684343025 30.974 26 P 0.82565315656976 0.00000000000000 0.32565315656975 30.974 27 P 0.82565315656976 0.50000000000000 0.82565315656976 30.974 28 P 0.17434684343025 0.00000000000000 0.67434684343024 30.974 29 P 0.32863626303477 0.57863626303477 0.75000000000000 30.974 30 P 0.67136373696523 0.42136373696523 0.25000000000000 30.974 31 Rh 0.61852911178671 0.00000000000000 0.11852911178671 102.906 32 Rh 0.38147088821329 0.50000000000000 0.38147088821329 102.906 33 Rh 0.38147088821329 0.00000000000000 0.88147088821329 102.906 34 Rh 0.61852911178671 0.50000000000000 0.61852911178671 102.906 35 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 36 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.375465080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.133574990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.771658800000001 Atomic positions (fractional): 1 O 0.63624249290724 0.50812962273204 0.38858288431917 15.999 > 1 2 O 0.63624249290724 0.50812962273204 0.88858288431917 15.999 > 1 3 O 0.86375750709276 0.49187037726796 0.13858288431917 15.999 > 3 4 O 0.86375750709276 0.49187037726796 0.63858288431917 15.999 > 3 5 O 0.63624249290724 0.49187037726796 0.11141711568083 15.999 > 5 6 O 0.63624249290724 0.49187037726796 0.61141711568083 15.999 > 5 7 O 0.86375750709276 0.50812962273204 0.36141711568083 15.999 > 7 8 O 0.86375750709276 0.50812962273204 0.86141711568083 15.999 > 7 9 O 0.36375750709276 0.49187037726796 0.11141711568083 15.999 > 9 10 O 0.36375750709276 0.49187037726796 0.61141711568083 15.999 > 9 11 O 0.13624249290724 0.50812962273204 0.36141711568083 15.999 > 11 12 O 0.13624249290724 0.50812962273204 0.86141711568083 15.999 > 11 13 O 0.36375750709276 0.50812962273204 0.38858288431917 15.999 > 13 14 O 0.36375750709276 0.50812962273204 0.88858288431917 15.999 > 13 15 O 0.13624249290724 0.49187037726796 0.13858288431917 15.999 > 15 16 O 0.13624249290724 0.49187037726796 0.63858288431917 15.999 > 15 17 O 0.27651506089450 0.63921876859712 0.22042764500757 15.999 > 17 18 O 0.27651506089450 0.63921876859712 0.72042764500757 15.999 > 17 19 O 0.22348493910550 0.36078123140288 0.47042764500757 15.999 > 19 20 O 0.22348493910550 0.36078123140288 0.97042764500757 15.999 > 19 21 O 0.27651506089450 0.36078123140288 0.27957235499243 15.999 > 21 22 O 0.27651506089450 0.36078123140288 0.77957235499243 15.999 > 21 23 O 0.22348493910550 0.63921876859712 0.02957235499243 15.999 > 23 24 O 0.22348493910550 0.63921876859712 0.52957235499243 15.999 > 23 25 O 0.00000000000000 0.15270894492823 0.27559882852043 15.999 > 25 26 O 0.00000000000000 0.15270894492823 0.77559882852043 15.999 > 25 27 O 0.00000000000000 0.34729105507177 0.27559882852043 15.999 > 27 28 O 0.00000000000000 0.34729105507177 0.77559882852043 15.999 > 27 29 O 0.00000000000000 0.84729105507177 0.22440117147957 15.999 > 29 30 O 0.00000000000000 0.84729105507177 0.72440117147957 15.999 > 29 31 O 0.00000000000000 0.65270894492823 0.22440117147957 15.999 > 31 32 O 0.00000000000000 0.65270894492823 0.72440117147957 15.999 > 31 33 O 0.87667060787848 0.75000000000000 0.36323040600399 15.999 > 33 34 O 0.87667060787848 0.75000000000000 0.86323040600400 15.999 > 33 35 O 0.12332939212152 0.75000000000000 0.36323040600399 15.999 > 35 36 O 0.12332939212152 0.75000000000000 0.86323040600400 15.999 > 35 37 O 0.87667060787848 0.25000000000000 0.13676959399600 15.999 > 37 38 O 0.87667060787848 0.25000000000000 0.63676959399600 15.999 > 37 39 O 0.12332939212152 0.25000000000000 0.13676959399600 15.999 > 39 40 O 0.12332939212152 0.25000000000000 0.63676959399600 15.999 > 39 41 O 0.77651506089450 0.36078123140288 0.47042764500757 15.999 > 41 42 O 0.77651506089450 0.36078123140288 0.97042764500757 15.999 > 41 43 O 0.72348493910550 0.63921876859712 0.22042764500757 15.999 > 43 44 O 0.72348493910550 0.63921876859712 0.72042764500757 15.999 > 43 45 O 0.77651506089450 0.63921876859712 0.02957235499243 15.999 > 45 46 O 0.77651506089450 0.63921876859712 0.52957235499243 15.999 > 45 47 O 0.72348493910550 0.36078123140288 0.27957235499243 15.999 > 47 48 O 0.72348493910550 0.36078123140288 0.77957235499243 15.999 > 47 49 O 0.13624249290724 0.00812962273204 0.13858288431917 15.999 > 1 50 O 0.13624249290724 0.00812962273204 0.63858288431917 15.999 > 1 51 O 0.36375750709276 0.99187037726796 0.38858288431917 15.999 > 3 52 O 0.36375750709276 0.99187037726796 0.88858288431917 15.999 > 3 53 O 0.13624249290724 0.99187037726796 0.36141711568083 15.999 > 5 54 O 0.13624249290724 0.99187037726796 0.86141711568083 15.999 > 5 55 O 0.36375750709276 0.00812962273204 0.11141711568083 15.999 > 7 56 O 0.36375750709276 0.00812962273204 0.61141711568083 15.999 > 7 57 O 0.86375750709276 0.99187037726796 0.36141711568083 15.999 > 9 58 O 0.86375750709276 0.99187037726796 0.86141711568083 15.999 > 9 59 O 0.63624249290724 0.00812962273204 0.11141711568083 15.999 > 11 60 O 0.63624249290724 0.00812962273204 0.61141711568083 15.999 > 11 61 O 0.86375750709276 0.00812962273204 0.13858288431917 15.999 > 13 62 O 0.86375750709276 0.00812962273204 0.63858288431917 15.999 > 13 63 O 0.63624249290724 0.99187037726796 0.38858288431917 15.999 > 15 64 O 0.63624249290724 0.99187037726796 0.88858288431917 15.999 > 15 65 O 0.77651506089450 0.13921876859712 0.47042764500757 15.999 > 17 66 O 0.77651506089450 0.13921876859712 0.97042764500757 15.999 > 17 67 O 0.72348493910550 0.86078123140288 0.22042764500757 15.999 > 19 68 O 0.72348493910550 0.86078123140288 0.72042764500757 15.999 > 19 69 O 0.77651506089450 0.86078123140288 0.02957235499243 15.999 > 21 70 O 0.77651506089450 0.86078123140288 0.52957235499243 15.999 > 21 71 O 0.72348493910550 0.13921876859712 0.27957235499243 15.999 > 23 72 O 0.72348493910550 0.13921876859712 0.77957235499243 15.999 > 23 73 O 0.50000000000000 0.65270894492823 0.02559882852043 15.999 > 25 74 O 0.50000000000000 0.65270894492823 0.52559882852043 15.999 > 25 75 O 0.50000000000000 0.84729105507177 0.02559882852043 15.999 > 27 76 O 0.50000000000000 0.84729105507177 0.52559882852043 15.999 > 27 77 O 0.50000000000000 0.34729105507177 0.47440117147957 15.999 > 29 78 O 0.50000000000000 0.34729105507177 0.97440117147957 15.999 > 29 79 O 0.50000000000000 0.15270894492823 0.47440117147957 15.999 > 31 80 O 0.50000000000000 0.15270894492823 0.97440117147957 15.999 > 31 81 O 0.37667060787848 0.25000000000000 0.11323040600400 15.999 > 33 82 O 0.37667060787848 0.25000000000000 0.61323040600400 15.999 > 33 83 O 0.62332939212152 0.25000000000000 0.11323040600400 15.999 > 35 84 O 0.62332939212152 0.25000000000000 0.61323040600400 15.999 > 35 85 O 0.37667060787848 0.75000000000000 0.38676959399601 15.999 > 37 86 O 0.37667060787848 0.75000000000000 0.88676959399600 15.999 > 37 87 O 0.62332939212152 0.75000000000000 0.38676959399601 15.999 > 39 88 O 0.62332939212152 0.75000000000000 0.88676959399600 15.999 > 39 89 O 0.27651506089450 0.86078123140288 0.22042764500757 15.999 > 41 90 O 0.27651506089450 0.86078123140288 0.72042764500757 15.999 > 41 91 O 0.22348493910550 0.13921876859712 0.47042764500757 15.999 > 43 92 O 0.22348493910550 0.13921876859712 0.97042764500757 15.999 > 43 93 O 0.27651506089450 0.13921876859712 0.27957235499243 15.999 > 45 94 O 0.27651506089450 0.13921876859712 0.77957235499243 15.999 > 45 95 O 0.22348493910550 0.86078123140288 0.02957235499243 15.999 > 47 96 O 0.22348493910550 0.86078123140288 0.52957235499243 15.999 > 47 97 P 0.75000000000000 0.42434684343024 0.37500000000000 30.974 > 97 98 P 0.75000000000000 0.42434684343024 0.87500000000000 30.974 > 97 99 P 0.75000000000000 0.57565315656976 0.12500000000000 30.974 > 99 100 P 0.75000000000000 0.57565315656976 0.62500000000000 30.974 > 99 101 P 0.25000000000000 0.57565315656976 0.12500000000000 30.974 > 101 102 P 0.25000000000000 0.57565315656976 0.62500000000000 30.974 > 101 103 P 0.25000000000000 0.42434684343024 0.37500000000000 30.974 > 103 104 P 0.25000000000000 0.42434684343024 0.87500000000000 30.974 > 103 105 P 0.00000000000000 0.75000000000000 0.28931813151738 30.974 > 105 106 P 0.00000000000000 0.75000000000000 0.78931813151738 30.974 > 105 107 P 0.00000000000000 0.25000000000000 0.21068186848262 30.974 > 107 108 P 0.00000000000000 0.25000000000000 0.71068186848262 30.974 > 107 109 P 0.25000000000000 0.92434684343024 0.12500000000000 30.974 > 97 110 P 0.25000000000000 0.92434684343024 0.62500000000000 30.974 > 97 111 P 0.25000000000000 0.07565315656976 0.37500000000000 30.974 > 99 112 P 0.25000000000000 0.07565315656976 0.87500000000000 30.974 > 99 113 P 0.75000000000000 0.07565315656976 0.37500000000000 30.974 > 101 114 P 0.75000000000000 0.07565315656976 0.87500000000000 30.974 > 101 115 P 0.75000000000000 0.92434684343024 0.12500000000000 30.974 > 103 116 P 0.75000000000000 0.92434684343024 0.62500000000000 30.974 > 103 117 P 0.50000000000000 0.25000000000000 0.03931813151738 30.974 > 105 118 P 0.50000000000000 0.25000000000000 0.53931813151738 30.974 > 105 119 P 0.50000000000000 0.75000000000000 0.46068186848262 30.974 > 107 120 P 0.50000000000000 0.75000000000000 0.96068186848262 30.974 > 107 121 Rh 0.75000000000000 0.36852911178671 0.12500000000000 102.906 > 121 122 Rh 0.75000000000000 0.36852911178671 0.62500000000000 102.906 > 121 123 Rh 0.75000000000000 0.63147088821329 0.37500000000000 102.906 > 123 124 Rh 0.75000000000000 0.63147088821329 0.87500000000000 102.906 > 123 125 Rh 0.25000000000000 0.63147088821329 0.37500000000000 102.906 > 125 126 Rh 0.25000000000000 0.63147088821329 0.87500000000000 102.906 > 125 127 Rh 0.25000000000000 0.36852911178671 0.12500000000000 102.906 > 127 128 Rh 0.25000000000000 0.36852911178671 0.62500000000000 102.906 > 127 129 Rh 0.00000000000000 0.50000000000000 0.25000000000000 102.906 > 129 130 Rh 0.00000000000000 0.50000000000000 0.75000000000000 102.906 > 129 131 Rh 0.00000000000000 0.00000000000000 0.25000000000000 102.906 > 131 132 Rh 0.00000000000000 0.00000000000000 0.75000000000000 102.906 > 131 133 Rh 0.25000000000000 0.86852911178671 0.37500000000000 102.906 > 121 134 Rh 0.25000000000000 0.86852911178671 0.87500000000000 102.906 > 121 135 Rh 0.25000000000000 0.13147088821329 0.12500000000000 102.906 > 123 136 Rh 0.25000000000000 0.13147088821329 0.62500000000000 102.906 > 123 137 Rh 0.75000000000000 0.13147088821329 0.12500000000000 102.906 > 125 138 Rh 0.75000000000000 0.13147088821329 0.62500000000000 102.906 > 125 139 Rh 0.75000000000000 0.86852911178671 0.37500000000000 102.906 > 127 140 Rh 0.75000000000000 0.86852911178671 0.87500000000000 102.906 > 127 141 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 129 142 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 129 143 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 131 144 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 131 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6351426 0.0000000 0.0000000 0.0000000 5.5493701 0.0000000 0.0000000 0.0000000 5.8021029 -------------------------- Born effective charges -------------------------- 1 O -1.7337764 0.4090049 0.5417787 -0.0890375 -1.2309712 0.2115947 0.8324162 -0.2517299 -1.0160667 2 O -1.7337764 0.4090049 -0.5417787 -0.0890375 -1.2309712 -0.2115947 -0.8324162 0.2517299 -1.0160667 3 O -1.7337764 -0.4090049 -0.5417787 0.0890375 -1.2309712 0.2115947 -0.8324162 -0.2517299 -1.0160667 4 O -1.7337764 -0.4090049 0.5417787 0.0890375 -1.2309712 -0.2115947 0.8324162 0.2517299 -1.0160667 5 O -1.7337764 0.4090049 0.5417787 -0.0890375 -1.2309712 0.2115947 0.8324162 -0.2517299 -1.0160667 6 O -1.7337764 0.4090049 -0.5417787 -0.0890375 -1.2309712 -0.2115947 -0.8324162 0.2517299 -1.0160667 7 O -1.7337764 -0.4090049 -0.5417787 0.0890375 -1.2309712 0.2115947 -0.8324162 -0.2517299 -1.0160667 8 O -1.7337764 -0.4090049 0.5417787 0.0890375 -1.2309712 -0.2115947 0.8324162 0.2517299 -1.0160667 9 O -0.7299580 0.0030933 0.0299487 -0.0733943 -1.0295061 -0.3750454 0.0279960 -1.1889981 -3.3646477 10 O -0.7299580 0.0030933 -0.0299487 -0.0733943 -1.0295061 0.3750454 -0.0279960 1.1889981 -3.3646477 11 O -0.7299580 -0.0030933 -0.0299487 0.0733943 -1.0295061 -0.3750454 -0.0279960 -1.1889981 -3.3646477 12 O -0.7299580 -0.0030933 0.0299487 0.0733943 -1.0295061 0.3750454 0.0279960 1.1889981 -3.3646477 13 O -1.2274049 0.0000000 0.0000000 0.0000000 -3.2054710 1.1827574 0.0000000 0.5267854 -0.9826859 14 O -1.2274049 0.0000000 0.0000000 0.0000000 -3.2054710 -1.1827574 0.0000000 -0.5267854 -0.9826859 15 O -1.2274049 0.0000000 0.0000000 0.0000000 -3.2054710 1.1827574 0.0000000 0.5267854 -0.9826859 16 O -1.2274049 0.0000000 0.0000000 0.0000000 -3.2054710 -1.1827574 0.0000000 -0.5267854 -0.9826859 17 O -2.8576071 0.0000000 1.0566346 0.0000000 -2.0794408 0.0000000 0.8093374 0.0000000 -0.6759633 18 O -2.8576071 0.0000000 -1.0566346 0.0000000 -2.0794408 0.0000000 -0.8093374 0.0000000 -0.6759633 19 O -2.8576071 0.0000000 -1.0566346 0.0000000 -2.0794408 0.0000000 -0.8093374 0.0000000 -0.6759633 20 O -2.8576071 0.0000000 1.0566346 0.0000000 -2.0794408 0.0000000 0.8093374 0.0000000 -0.6759633 21 O -0.7299580 -0.0030933 0.0299487 0.0733943 -1.0295061 0.3750454 0.0279960 1.1889981 -3.3646477 22 O -0.7299580 -0.0030933 -0.0299487 0.0733943 -1.0295061 -0.3750454 -0.0279960 -1.1889981 -3.3646477 23 O -0.7299580 0.0030933 -0.0299487 -0.0733943 -1.0295061 0.3750454 -0.0279960 1.1889981 -3.3646477 24 O -0.7299580 0.0030933 0.0299487 -0.0733943 -1.0295061 -0.3750454 0.0279960 -1.1889981 -3.3646477 25 P 3.2324624 0.0000000 -0.0599047 0.0000000 3.6502080 0.0000000 -0.4541135 0.0000000 4.8001078 26 P 3.2324624 0.0000000 0.0599047 0.0000000 3.6502080 0.0000000 0.4541135 0.0000000 4.8001078 27 P 3.2324624 0.0000000 -0.0599047 0.0000000 3.6502080 0.0000000 -0.4541135 0.0000000 4.8001078 28 P 3.2324624 0.0000000 0.0599047 0.0000000 3.6502080 0.0000000 0.4541135 0.0000000 4.8001078 29 P 5.7666769 0.0000000 0.0000000 0.0000000 4.3472876 0.0000000 0.0000000 0.0000000 3.2664263 30 P 5.7666769 0.0000000 0.0000000 0.0000000 4.3472876 0.0000000 0.0000000 0.0000000 3.2664263 31 Rh 1.2608478 0.0000000 0.1106689 0.0000000 3.0362167 0.0000000 -0.2074252 0.0000000 2.9386531 32 Rh 1.2608478 0.0000000 -0.1106689 0.0000000 3.0362167 0.0000000 0.2074252 0.0000000 2.9386531 33 Rh 1.2608478 0.0000000 0.1106689 0.0000000 3.0362167 0.0000000 -0.2074252 0.0000000 2.9386531 34 Rh 1.2608478 0.0000000 -0.1106689 0.0000000 3.0362167 0.0000000 0.2074252 0.0000000 2.9386531 35 Rh 3.2716643 0.0000000 0.0000000 0.0000000 1.8915957 0.5790954 0.0000000 0.1695879 2.0962081 36 Rh 3.2716643 0.0000000 0.0000000 0.0000000 1.8915957 -0.5790954 0.0000000 -0.1695879 2.0962081 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:37:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:37:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -5.187732540000000 6.566787495000000 3.192914700000000 b 5.187732540000000 -6.566787495000000 3.192914700000000 c 5.187732540000000 6.566787495000000 -3.192914700000000 Atomic positions (fractional): 1 O 0.28529539137039 0.41340826154559 0.14437211563928 15.999 2 O 0.76903614590631 0.14092327573111 0.35562788436072 15.999 3 O 0.71470460862961 0.85907672426889 0.12811287017520 15.999 4 O 0.23096385409369 0.58659173845441 0.37188712982480 15.999 5 O 0.71470460862961 0.58659173845441 0.85562788436072 15.999 6 O 0.23096385409369 0.85907672426889 0.64437211563928 15.999 7 O 0.28529539137039 0.14092327573111 0.87188712982480 15.999 8 O 0.76903614590631 0.41340826154559 0.62811287017520 15.999 9 O 0.08007405861227 0.71737035090964 0.91573382949162 15.999 10 O 0.30163652141802 0.16434022912064 0.58426617050838 15.999 11 O 0.91992594138773 0.83565977087936 0.63729629229738 15.999 12 O 0.69836347858198 0.28262964909036 0.86270370770262 15.999 13 O 0.70390660196908 0.55119765704085 0.15270894492823 15.999 14 O 0.89848871211262 0.55119765704085 0.34729105507177 15.999 15 O 0.29609339803092 0.44880234295915 0.84729105507177 15.999 16 O 0.10151128788738 0.44880234295915 0.65270894492823 15.999 17 O 0.47646081200799 0.60313141988647 0.62667060787848 15.999 18 O 0.47646081200799 0.84979020412951 0.87332939212152 15.999 19 O 0.52353918799201 0.15020979587049 0.12667060787848 15.999 20 O 0.52353918799201 0.39686858011353 0.37332939212152 15.999 21 O 0.30163652141802 0.71737035090964 0.13729629229738 15.999 22 O 0.08007405861227 0.16434022912064 0.36270370770262 15.999 23 O 0.69836347858198 0.83565977087936 0.41573382949162 15.999 24 O 0.91992594138773 0.28262964909036 0.08426617050838 15.999 25 P 0.17434684343025 0.50000000000000 0.17434684343025 30.974 26 P 0.82565315656976 0.00000000000000 0.32565315656975 30.974 27 P 0.82565315656976 0.50000000000000 0.82565315656976 30.974 28 P 0.17434684343025 0.00000000000000 0.67434684343024 30.974 29 P 0.32863626303477 0.57863626303477 0.75000000000000 30.974 30 P 0.67136373696523 0.42136373696523 0.25000000000000 30.974 31 Rh 0.61852911178671 0.00000000000000 0.11852911178671 102.906 32 Rh 0.38147088821329 0.50000000000000 0.38147088821329 102.906 33 Rh 0.38147088821329 0.00000000000000 0.88147088821329 102.906 34 Rh 0.61852911178671 0.50000000000000 0.61852911178671 102.906 35 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 36 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.375465080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.133574990000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.771658800000001 Atomic positions (fractional): 1 O 0.63624249290724 0.50812962273204 0.38858288431917 15.999 > 1 2 O 0.63624249290724 0.50812962273204 0.88858288431917 15.999 > 1 3 O 0.86375750709276 0.49187037726796 0.13858288431917 15.999 > 3 4 O 0.86375750709276 0.49187037726796 0.63858288431917 15.999 > 3 5 O 0.63624249290724 0.49187037726796 0.11141711568083 15.999 > 5 6 O 0.63624249290724 0.49187037726796 0.61141711568083 15.999 > 5 7 O 0.86375750709276 0.50812962273204 0.36141711568083 15.999 > 7 8 O 0.86375750709276 0.50812962273204 0.86141711568083 15.999 > 7 9 O 0.36375750709276 0.49187037726796 0.11141711568083 15.999 > 9 10 O 0.36375750709276 0.49187037726796 0.61141711568083 15.999 > 9 11 O 0.13624249290724 0.50812962273204 0.36141711568083 15.999 > 11 12 O 0.13624249290724 0.50812962273204 0.86141711568083 15.999 > 11 13 O 0.36375750709276 0.50812962273204 0.38858288431917 15.999 > 13 14 O 0.36375750709276 0.50812962273204 0.88858288431917 15.999 > 13 15 O 0.13624249290724 0.49187037726796 0.13858288431917 15.999 > 15 16 O 0.13624249290724 0.49187037726796 0.63858288431917 15.999 > 15 17 O 0.27651506089450 0.63921876859712 0.22042764500757 15.999 > 17 18 O 0.27651506089450 0.63921876859712 0.72042764500757 15.999 > 17 19 O 0.22348493910550 0.36078123140288 0.47042764500757 15.999 > 19 20 O 0.22348493910550 0.36078123140288 0.97042764500757 15.999 > 19 21 O 0.27651506089450 0.36078123140288 0.27957235499243 15.999 > 21 22 O 0.27651506089450 0.36078123140288 0.77957235499243 15.999 > 21 23 O 0.22348493910550 0.63921876859712 0.02957235499243 15.999 > 23 24 O 0.22348493910550 0.63921876859712 0.52957235499243 15.999 > 23 25 O 0.00000000000000 0.15270894492823 0.27559882852043 15.999 > 25 26 O 0.00000000000000 0.15270894492823 0.77559882852043 15.999 > 25 27 O 0.00000000000000 0.34729105507177 0.27559882852043 15.999 > 27 28 O 0.00000000000000 0.34729105507177 0.77559882852043 15.999 > 27 29 O 0.00000000000000 0.84729105507177 0.22440117147957 15.999 > 29 30 O 0.00000000000000 0.84729105507177 0.72440117147957 15.999 > 29 31 O 0.00000000000000 0.65270894492823 0.22440117147957 15.999 > 31 32 O 0.00000000000000 0.65270894492823 0.72440117147957 15.999 > 31 33 O 0.87667060787848 0.75000000000000 0.36323040600399 15.999 > 33 34 O 0.87667060787848 0.75000000000000 0.86323040600400 15.999 > 33 35 O 0.12332939212152 0.75000000000000 0.36323040600399 15.999 > 35 36 O 0.12332939212152 0.75000000000000 0.86323040600400 15.999 > 35 37 O 0.87667060787848 0.25000000000000 0.13676959399600 15.999 > 37 38 O 0.87667060787848 0.25000000000000 0.63676959399600 15.999 > 37 39 O 0.12332939212152 0.25000000000000 0.13676959399600 15.999 > 39 40 O 0.12332939212152 0.25000000000000 0.63676959399600 15.999 > 39 41 O 0.77651506089450 0.36078123140288 0.47042764500757 15.999 > 41 42 O 0.77651506089450 0.36078123140288 0.97042764500757 15.999 > 41 43 O 0.72348493910550 0.63921876859712 0.22042764500757 15.999 > 43 44 O 0.72348493910550 0.63921876859712 0.72042764500757 15.999 > 43 45 O 0.77651506089450 0.63921876859712 0.02957235499243 15.999 > 45 46 O 0.77651506089450 0.63921876859712 0.52957235499243 15.999 > 45 47 O 0.72348493910550 0.36078123140288 0.27957235499243 15.999 > 47 48 O 0.72348493910550 0.36078123140288 0.77957235499243 15.999 > 47 49 O 0.13624249290724 0.00812962273204 0.13858288431917 15.999 > 1 50 O 0.13624249290724 0.00812962273204 0.63858288431917 15.999 > 1 51 O 0.36375750709276 0.99187037726796 0.38858288431917 15.999 > 3 52 O 0.36375750709276 0.99187037726796 0.88858288431917 15.999 > 3 53 O 0.13624249290724 0.99187037726796 0.36141711568083 15.999 > 5 54 O 0.13624249290724 0.99187037726796 0.86141711568083 15.999 > 5 55 O 0.36375750709276 0.00812962273204 0.11141711568083 15.999 > 7 56 O 0.36375750709276 0.00812962273204 0.61141711568083 15.999 > 7 57 O 0.86375750709276 0.99187037726796 0.36141711568083 15.999 > 9 58 O 0.86375750709276 0.99187037726796 0.86141711568083 15.999 > 9 59 O 0.63624249290724 0.00812962273204 0.11141711568083 15.999 > 11 60 O 0.63624249290724 0.00812962273204 0.61141711568083 15.999 > 11 61 O 0.86375750709276 0.00812962273204 0.13858288431917 15.999 > 13 62 O 0.86375750709276 0.00812962273204 0.63858288431917 15.999 > 13 63 O 0.63624249290724 0.99187037726796 0.38858288431917 15.999 > 15 64 O 0.63624249290724 0.99187037726796 0.88858288431917 15.999 > 15 65 O 0.77651506089450 0.13921876859712 0.47042764500757 15.999 > 17 66 O 0.77651506089450 0.13921876859712 0.97042764500757 15.999 > 17 67 O 0.72348493910550 0.86078123140288 0.22042764500757 15.999 > 19 68 O 0.72348493910550 0.86078123140288 0.72042764500757 15.999 > 19 69 O 0.77651506089450 0.86078123140288 0.02957235499243 15.999 > 21 70 O 0.77651506089450 0.86078123140288 0.52957235499243 15.999 > 21 71 O 0.72348493910550 0.13921876859712 0.27957235499243 15.999 > 23 72 O 0.72348493910550 0.13921876859712 0.77957235499243 15.999 > 23 73 O 0.50000000000000 0.65270894492823 0.02559882852043 15.999 > 25 74 O 0.50000000000000 0.65270894492823 0.52559882852043 15.999 > 25 75 O 0.50000000000000 0.84729105507177 0.02559882852043 15.999 > 27 76 O 0.50000000000000 0.84729105507177 0.52559882852043 15.999 > 27 77 O 0.50000000000000 0.34729105507177 0.47440117147957 15.999 > 29 78 O 0.50000000000000 0.34729105507177 0.97440117147957 15.999 > 29 79 O 0.50000000000000 0.15270894492823 0.47440117147957 15.999 > 31 80 O 0.50000000000000 0.15270894492823 0.97440117147957 15.999 > 31 81 O 0.37667060787848 0.25000000000000 0.11323040600400 15.999 > 33 82 O 0.37667060787848 0.25000000000000 0.61323040600400 15.999 > 33 83 O 0.62332939212152 0.25000000000000 0.11323040600400 15.999 > 35 84 O 0.62332939212152 0.25000000000000 0.61323040600400 15.999 > 35 85 O 0.37667060787848 0.75000000000000 0.38676959399601 15.999 > 37 86 O 0.37667060787848 0.75000000000000 0.88676959399600 15.999 > 37 87 O 0.62332939212152 0.75000000000000 0.38676959399601 15.999 > 39 88 O 0.62332939212152 0.75000000000000 0.88676959399600 15.999 > 39 89 O 0.27651506089450 0.86078123140288 0.22042764500757 15.999 > 41 90 O 0.27651506089450 0.86078123140288 0.72042764500757 15.999 > 41 91 O 0.22348493910550 0.13921876859712 0.47042764500757 15.999 > 43 92 O 0.22348493910550 0.13921876859712 0.97042764500757 15.999 > 43 93 O 0.27651506089450 0.13921876859712 0.27957235499243 15.999 > 45 94 O 0.27651506089450 0.13921876859712 0.77957235499243 15.999 > 45 95 O 0.22348493910550 0.86078123140288 0.02957235499243 15.999 > 47 96 O 0.22348493910550 0.86078123140288 0.52957235499243 15.999 > 47 97 P 0.75000000000000 0.42434684343024 0.37500000000000 30.974 > 97 98 P 0.75000000000000 0.42434684343024 0.87500000000000 30.974 > 97 99 P 0.75000000000000 0.57565315656976 0.12500000000000 30.974 > 99 100 P 0.75000000000000 0.57565315656976 0.62500000000000 30.974 > 99 101 P 0.25000000000000 0.57565315656976 0.12500000000000 30.974 > 101 102 P 0.25000000000000 0.57565315656976 0.62500000000000 30.974 > 101 103 P 0.25000000000000 0.42434684343024 0.37500000000000 30.974 > 103 104 P 0.25000000000000 0.42434684343024 0.87500000000000 30.974 > 103 105 P 0.00000000000000 0.75000000000000 0.28931813151738 30.974 > 105 106 P 0.00000000000000 0.75000000000000 0.78931813151738 30.974 > 105 107 P 0.00000000000000 0.25000000000000 0.21068186848262 30.974 > 107 108 P 0.00000000000000 0.25000000000000 0.71068186848262 30.974 > 107 109 P 0.25000000000000 0.92434684343024 0.12500000000000 30.974 > 97 110 P 0.25000000000000 0.92434684343024 0.62500000000000 30.974 > 97 111 P 0.25000000000000 0.07565315656976 0.37500000000000 30.974 > 99 112 P 0.25000000000000 0.07565315656976 0.87500000000000 30.974 > 99 113 P 0.75000000000000 0.07565315656976 0.37500000000000 30.974 > 101 114 P 0.75000000000000 0.07565315656976 0.87500000000000 30.974 > 101 115 P 0.75000000000000 0.92434684343024 0.12500000000000 30.974 > 103 116 P 0.75000000000000 0.92434684343024 0.62500000000000 30.974 > 103 117 P 0.50000000000000 0.25000000000000 0.03931813151738 30.974 > 105 118 P 0.50000000000000 0.25000000000000 0.53931813151738 30.974 > 105 119 P 0.50000000000000 0.75000000000000 0.46068186848262 30.974 > 107 120 P 0.50000000000000 0.75000000000000 0.96068186848262 30.974 > 107 121 Rh 0.75000000000000 0.36852911178671 0.12500000000000 102.906 > 121 122 Rh 0.75000000000000 0.36852911178671 0.62500000000000 102.906 > 121 123 Rh 0.75000000000000 0.63147088821329 0.37500000000000 102.906 > 123 124 Rh 0.75000000000000 0.63147088821329 0.87500000000000 102.906 > 123 125 Rh 0.25000000000000 0.63147088821329 0.37500000000000 102.906 > 125 126 Rh 0.25000000000000 0.63147088821329 0.87500000000000 102.906 > 125 127 Rh 0.25000000000000 0.36852911178671 0.12500000000000 102.906 > 127 128 Rh 0.25000000000000 0.36852911178671 0.62500000000000 102.906 > 127 129 Rh 0.00000000000000 0.50000000000000 0.25000000000000 102.906 > 129 130 Rh 0.00000000000000 0.50000000000000 0.75000000000000 102.906 > 129 131 Rh 0.00000000000000 0.00000000000000 0.25000000000000 102.906 > 131 132 Rh 0.00000000000000 0.00000000000000 0.75000000000000 102.906 > 131 133 Rh 0.25000000000000 0.86852911178671 0.37500000000000 102.906 > 121 134 Rh 0.25000000000000 0.86852911178671 0.87500000000000 102.906 > 121 135 Rh 0.25000000000000 0.13147088821329 0.12500000000000 102.906 > 123 136 Rh 0.25000000000000 0.13147088821329 0.62500000000000 102.906 > 123 137 Rh 0.75000000000000 0.13147088821329 0.12500000000000 102.906 > 125 138 Rh 0.75000000000000 0.13147088821329 0.62500000000000 102.906 > 125 139 Rh 0.75000000000000 0.86852911178671 0.37500000000000 102.906 > 127 140 Rh 0.75000000000000 0.86852911178671 0.87500000000000 102.906 > 127 141 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 129 142 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 129 143 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 131 144 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 131 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6351426 0.0000000 0.0000000 0.0000000 5.5493701 0.0000000 0.0000000 0.0000000 5.8021029 -------------------------- Born effective charges -------------------------- 1 O -1.7337764 0.4090049 0.5417787 -0.0890375 -1.2309712 0.2115947 0.8324162 -0.2517299 -1.0160667 2 O -1.7337764 0.4090049 -0.5417787 -0.0890375 -1.2309712 -0.2115947 -0.8324162 0.2517299 -1.0160667 3 O -1.7337764 -0.4090049 -0.5417787 0.0890375 -1.2309712 0.2115947 -0.8324162 -0.2517299 -1.0160667 4 O -1.7337764 -0.4090049 0.5417787 0.0890375 -1.2309712 -0.2115947 0.8324162 0.2517299 -1.0160667 5 O -1.7337764 0.4090049 0.5417787 -0.0890375 -1.2309712 0.2115947 0.8324162 -0.2517299 -1.0160667 6 O -1.7337764 0.4090049 -0.5417787 -0.0890375 -1.2309712 -0.2115947 -0.8324162 0.2517299 -1.0160667 7 O -1.7337764 -0.4090049 -0.5417787 0.0890375 -1.2309712 0.2115947 -0.8324162 -0.2517299 -1.0160667 8 O -1.7337764 -0.4090049 0.5417787 0.0890375 -1.2309712 -0.2115947 0.8324162 0.2517299 -1.0160667 9 O -0.7299580 0.0030933 0.0299487 -0.0733943 -1.0295061 -0.3750454 0.0279960 -1.1889981 -3.3646477 10 O -0.7299580 0.0030933 -0.0299487 -0.0733943 -1.0295061 0.3750454 -0.0279960 1.1889981 -3.3646477 11 O -0.7299580 -0.0030933 -0.0299487 0.0733943 -1.0295061 -0.3750454 -0.0279960 -1.1889981 -3.3646477 12 O -0.7299580 -0.0030933 0.0299487 0.0733943 -1.0295061 0.3750454 0.0279960 1.1889981 -3.3646477 13 O -1.2274049 0.0000000 0.0000000 0.0000000 -3.2054710 1.1827574 0.0000000 0.5267854 -0.9826859 14 O -1.2274049 0.0000000 0.0000000 0.0000000 -3.2054710 -1.1827574 0.0000000 -0.5267854 -0.9826859 15 O -1.2274049 0.0000000 0.0000000 0.0000000 -3.2054710 1.1827574 0.0000000 0.5267854 -0.9826859 16 O -1.2274049 0.0000000 0.0000000 0.0000000 -3.2054710 -1.1827574 0.0000000 -0.5267854 -0.9826859 17 O -2.8576071 0.0000000 1.0566346 0.0000000 -2.0794408 0.0000000 0.8093374 0.0000000 -0.6759633 18 O -2.8576071 0.0000000 -1.0566346 0.0000000 -2.0794408 0.0000000 -0.8093374 0.0000000 -0.6759633 19 O -2.8576071 0.0000000 -1.0566346 0.0000000 -2.0794408 0.0000000 -0.8093374 0.0000000 -0.6759633 20 O -2.8576071 0.0000000 1.0566346 0.0000000 -2.0794408 0.0000000 0.8093374 0.0000000 -0.6759633 21 O -0.7299580 -0.0030933 0.0299487 0.0733943 -1.0295061 0.3750454 0.0279960 1.1889981 -3.3646477 22 O -0.7299580 -0.0030933 -0.0299487 0.0733943 -1.0295061 -0.3750454 -0.0279960 -1.1889981 -3.3646477 23 O -0.7299580 0.0030933 -0.0299487 -0.0733943 -1.0295061 0.3750454 -0.0279960 1.1889981 -3.3646477 24 O -0.7299580 0.0030933 0.0299487 -0.0733943 -1.0295061 -0.3750454 0.0279960 -1.1889981 -3.3646477 25 P 3.2324624 0.0000000 -0.0599047 0.0000000 3.6502080 0.0000000 -0.4541135 0.0000000 4.8001078 26 P 3.2324624 0.0000000 0.0599047 0.0000000 3.6502080 0.0000000 0.4541135 0.0000000 4.8001078 27 P 3.2324624 0.0000000 -0.0599047 0.0000000 3.6502080 0.0000000 -0.4541135 0.0000000 4.8001078 28 P 3.2324624 0.0000000 0.0599047 0.0000000 3.6502080 0.0000000 0.4541135 0.0000000 4.8001078 29 P 5.7666769 0.0000000 0.0000000 0.0000000 4.3472876 0.0000000 0.0000000 0.0000000 3.2664263 30 P 5.7666769 0.0000000 0.0000000 0.0000000 4.3472876 0.0000000 0.0000000 0.0000000 3.2664263 31 Rh 1.2608478 0.0000000 0.1106689 0.0000000 3.0362167 0.0000000 -0.2074252 0.0000000 2.9386531 32 Rh 1.2608478 0.0000000 -0.1106689 0.0000000 3.0362167 0.0000000 0.2074252 0.0000000 2.9386531 33 Rh 1.2608478 0.0000000 0.1106689 0.0000000 3.0362167 0.0000000 -0.2074252 0.0000000 2.9386531 34 Rh 1.2608478 0.0000000 -0.1106689 0.0000000 3.0362167 0.0000000 0.2074252 0.0000000 2.9386531 35 Rh 3.2716643 0.0000000 0.0000000 0.0000000 1.8915957 0.5790954 0.0000000 0.1695879 2.0962081 36 Rh 3.2716643 0.0000000 0.0000000 0.0000000 1.8915957 -0.5790954 0.0000000 -0.1695879 2.0962081 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 4 80 ] Grid generation matrix: [ 0 5 5 ] [ 4 0 4 ] [ 8 8 0 ] 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: 0.55, Number of G-points: 289, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/69) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 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 2.687 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.480 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.960 ( 0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 5.994 ( 0.000 0.000 0.000) 0.000 5.999 ( 0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 6.513 ( 0.000 0.000 0.000) 0.000 6.542 ( 0.000 0.000 0.000) 0.000 6.688 ( 0.000 0.000 0.000) 0.000 6.985 ( 0.000 0.000 0.000) 0.000 7.167 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 7.247 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.411 ( 0.000 0.000 0.000) 0.000 7.417 ( 0.000 0.000 0.000) 0.000 7.560 ( 0.000 0.000 0.000) 0.000 7.751 ( 0.000 0.000 0.000) 0.000 7.892 ( 0.000 0.000 0.000) 0.000 8.017 ( 0.000 0.000 0.000) 0.000 8.199 ( 0.000 0.000 0.000) 0.000 8.581 ( 0.000 0.000 0.000) 0.000 8.840 ( 0.000 0.000 0.000) 0.000 8.943 ( 0.000 0.000 0.000) 0.000 9.248 ( 0.000 0.000 0.000) 0.000 9.320 ( 0.000 0.000 0.000) 0.000 9.327 ( 0.000 0.000 0.000) 0.000 9.487 ( 0.000 0.000 0.000) 0.000 9.936 ( 0.000 0.000 0.000) 0.000 10.192 ( 0.000 0.000 0.000) 0.000 10.810 ( 0.000 0.000 0.000) 0.000 11.109 ( 0.000 0.000 0.000) 0.000 11.386 ( 0.000 0.000 0.000) 0.000 11.435 ( 0.000 0.000 0.000) 0.000 12.147 ( 0.000 0.000 0.000) 0.000 12.218 ( 0.000 0.000 0.000) 0.000 12.344 ( 0.000 0.000 0.000) 0.000 12.454 ( 0.000 0.000 0.000) 0.000 12.623 ( 0.000 0.000 0.000) 0.000 12.702 ( 0.000 0.000 0.000) 0.000 12.845 ( 0.000 0.000 0.000) 0.000 13.095 ( 0.000 0.000 0.000) 0.000 13.145 ( 0.000 0.000 0.000) 0.000 13.262 ( 0.000 0.000 0.000) 0.000 13.599 ( 0.000 0.000 0.000) 0.000 13.799 ( 0.000 0.000 0.000) 0.000 13.962 ( 0.000 0.000 0.000) 0.000 14.604 ( 0.000 0.000 0.000) 0.000 14.689 ( 0.000 0.000 0.000) 0.000 14.896 ( 0.000 0.000 0.000) 0.000 15.622 ( 0.000 0.000 0.000) 0.000 15.715 ( 0.000 0.000 0.000) 0.000 15.746 ( 0.000 0.000 0.000) 0.000 15.771 ( 0.000 0.000 0.000) 0.000 16.109 ( 0.000 0.000 0.000) 0.000 16.127 ( 0.000 0.000 0.000) 0.000 16.265 ( 0.000 0.000 0.000) 0.000 16.453 ( 0.000 0.000 0.000) 0.000 16.769 ( 0.000 0.000 0.000) 0.000 17.173 ( 0.000 0.000 0.000) 0.000 17.509 ( 0.000 0.000 0.000) 0.000 17.529 ( 0.000 0.000 0.000) 0.000 17.540 ( 0.000 0.000 0.000) 0.000 18.308 ( 0.000 0.000 0.000) 0.000 18.680 ( 0.000 0.000 0.000) 0.000 18.926 ( 0.000 0.000 0.000) 0.000 19.144 ( 0.000 0.000 0.000) 0.000 19.287 ( 0.000 0.000 0.000) 0.000 19.389 ( 0.000 0.000 0.000) 0.000 19.423 ( 0.000 0.000 0.000) 0.000 19.968 ( 0.000 0.000 0.000) 0.000 23.038 ( 0.000 0.000 0.000) 0.000 23.275 ( 0.000 0.000 0.000) 0.000 24.287 ( 0.000 0.000 0.000) 0.000 24.661 ( 0.000 0.000 0.000) 0.000 24.771 ( 0.000 0.000 0.000) 0.000 24.897 ( 0.000 0.000 0.000) 0.000 25.249 ( 0.000 0.000 0.000) 0.000 25.342 ( 0.000 0.000 0.000) 0.000 25.729 ( 0.000 0.000 0.000) 0.000 25.910 ( 0.000 0.000 0.000) 0.000 26.259 ( 0.000 0.000 0.000) 0.000 26.562 ( 0.000 0.000 0.000) 0.000 29.660 ( 0.000 0.000 0.000) 0.000 30.667 ( 0.000 0.000 0.000) 0.000 31.589 ( 0.000 0.000 0.000) 0.000 32.916 ( 0.000 0.000 0.000) 0.000 33.160 ( 0.000 0.000 0.000) 0.000 33.186 ( 0.000 0.000 0.000) 0.000 33.566 ( 0.000 0.000 0.000) 0.000 33.659 ( 0.000 0.000 0.000) 0.000 33.683 ( 0.000 0.000 0.000) 0.000 33.869 ( 0.000 0.000 0.000) 0.000 33.919 ( 0.000 0.000 0.000) 0.000 34.044 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/69) ======================= q-point: ( 0.00 0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 0.000 -10.502 33.313) 34.929 1.708 ( 0.000 -41.862 20.595) 46.654 2.887 ( 0.000 -14.389 44.149) 46.434 3.475 ( -0.000 11.454 15.244) 19.067 3.725 ( -0.000 7.285 -15.598) 17.216 3.952 ( 0.000 -7.029 18.212) 19.521 4.053 ( 0.000 5.400 17.566) 18.377 4.247 ( -0.000 -7.080 -12.998) 14.801 4.251 ( -0.000 14.922 11.988) 19.140 4.619 ( 0.000 4.550 8.375) 9.531 4.858 ( -0.000 9.793 6.988) 12.031 5.045 ( 0.000 5.359 11.468) 12.658 5.270 ( 0.000 -10.268 -17.691) 20.455 5.333 ( 0.000 -12.111 -5.885) 13.465 5.510 ( -0.000 1.688 -10.110) 10.250 5.690 ( -0.000 5.548 2.593) 6.124 5.849 ( 0.000 -7.396 -8.903) 11.574 6.108 ( 0.000 -9.070 -5.663) 10.693 6.181 ( -0.000 15.444 -17.483) 23.328 6.492 ( 0.000 -11.663 3.986) 12.326 6.592 ( 0.000 3.492 8.008) 8.736 6.736 ( -0.000 2.520 -2.540) 3.578 6.816 ( -0.000 9.690 -3.928) 10.456 6.932 ( 0.000 -3.567 11.932) 12.453 6.984 ( 0.000 -1.210 -1.348) 1.811 7.167 ( 0.000 -5.847 6.747) 8.928 7.559 ( -0.000 20.262 10.148) 22.661 7.570 ( -0.000 3.952 -2.510) 4.682 7.770 ( 0.000 -14.606 5.815) 15.721 7.928 ( 0.000 -1.614 24.453) 24.506 8.089 ( 0.000 -7.868 0.564) 7.889 8.136 ( 0.000 0.996 25.493) 25.513 8.445 ( -0.000 8.834 2.616) 9.213 8.567 ( 0.000 -0.434 19.033) 19.038 8.627 ( 0.000 -3.174 4.878) 5.820 8.772 ( 0.000 -13.172 0.192) 13.173 9.074 ( -0.000 12.270 -2.844) 12.596 9.286 ( 0.000 0.353 7.264) 7.272 9.407 ( 0.000 -1.907 3.325) 3.833 9.538 ( 0.000 -3.631 6.892) 7.790 9.613 ( 0.000 -1.433 0.044) 1.433 9.945 ( 0.000 -6.342 0.868) 6.401 10.160 ( -0.000 7.401 2.183) 7.716 10.504 ( -0.000 7.608 -9.587) 12.239 11.224 ( 0.000 0.048 3.423) 3.423 11.262 ( 0.000 -2.572 -3.289) 4.175 11.641 ( 0.000 -3.181 3.330) 4.605 11.905 ( -0.000 -4.026 -14.105) 14.669 12.046 ( -0.000 -0.703 -8.569) 8.598 12.081 ( -0.000 4.918 -10.130) 11.261 12.326 ( -0.000 8.411 -4.190) 9.397 12.443 ( -0.000 2.120 -8.590) 8.848 12.508 ( -0.000 5.888 -2.737) 6.493 12.744 ( -0.000 -1.790 -4.850) 5.170 13.084 ( -0.000 -0.528 -6.811) 6.832 13.153 ( 0.000 -5.144 -1.200) 5.282 13.249 ( 0.000 -1.135 2.588) 2.826 13.592 ( 0.000 -1.919 -1.880) 2.686 13.678 ( -0.000 1.489 -5.057) 5.271 13.699 ( -0.000 6.090 -15.277) 16.446 14.598 ( 0.000 -1.916 -0.137) 1.921 14.683 ( 0.000 0.978 2.468) 2.655 14.799 ( 0.000 -3.758 4.052) 5.527 15.435 ( 0.000 -0.541 1.441) 1.539 15.672 ( -0.000 2.545 -1.058) 2.757 15.868 ( 0.000 -2.599 1.614) 3.059 16.109 ( 0.000 -3.074 2.834) 4.181 16.276 ( 0.000 -2.837 4.040) 4.937 16.307 ( -0.000 3.017 4.418) 5.350 16.524 ( 0.000 2.461 7.791) 8.170 16.558 ( 0.000 -3.134 3.399) 4.623 16.855 ( 0.000 -8.674 0.141) 8.675 17.269 ( -0.000 11.466 3.432) 11.969 17.394 ( -0.000 1.091 -2.271) 2.519 17.646 ( 0.000 -3.520 5.716) 6.713 17.721 ( 0.000 1.344 6.452) 6.591 18.202 ( -0.000 -0.064 -4.556) 4.557 18.443 ( -0.000 3.400 -7.125) 7.895 18.971 ( 0.000 -1.960 0.700) 2.082 19.363 ( -0.000 4.247 3.005) 5.202 19.482 ( 0.000 3.466 7.886) 8.615 19.511 ( 0.000 -2.493 2.955) 3.866 19.536 ( 0.000 -10.812 -0.864) 10.847 20.049 ( 0.000 -6.344 -1.547) 6.530 23.125 ( 0.000 -1.326 4.183) 4.388 23.509 ( 0.000 0.746 5.297) 5.349 23.942 ( -0.000 2.549 -11.003) 11.294 24.399 ( -0.000 5.730 -9.606) 11.185 24.929 ( 0.000 -1.519 7.978) 8.121 25.173 ( 0.000 -3.507 5.664) 6.662 25.246 ( 0.000 -2.489 -1.342) 2.828 25.406 ( 0.000 -0.375 2.089) 2.123 25.776 ( 0.000 -2.602 0.733) 2.703 26.214 ( 0.000 -1.757 1.133) 2.091 26.224 ( 0.000 -0.712 -0.357) 0.796 26.475 ( -0.000 0.871 -4.564) 4.646 29.813 ( 0.000 -6.485 -0.058) 6.485 30.368 ( -0.000 23.289 0.471) 23.294 32.062 ( 0.000 -33.836 -4.151) 34.089 32.300 ( -0.000 -0.655 -14.703) 14.718 32.370 ( -0.000 -3.149 -19.194) 19.450 32.532 ( -0.000 1.837 -23.113) 23.186 32.769 ( -0.000 -4.415 -16.814) 17.384 33.385 ( -0.000 20.468 0.485) 20.473 34.757 ( 0.000 -2.272 32.836) 32.914 34.950 ( 0.000 1.222 30.603) 30.627 35.363 ( 0.000 2.632 32.411) 32.517 36.127 ( -0.000 24.315 16.317) 29.282 ======================= Grid point 2 (3/69) ======================= q-point: ( 0.00 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 0.000 -0.000 0.000) 0.000 2.755 ( 0.000 -0.000 0.000) 0.000 3.113 ( 0.000 -0.000 0.000) 0.000 3.625 ( 0.000 -0.000 0.000) 0.000 3.725 ( 0.000 -0.000 0.000) 0.000 3.792 ( -0.000 0.000 0.000) 0.000 4.315 ( 0.000 -0.000 0.000) 0.000 4.427 ( 0.000 -0.000 0.000) 0.000 4.579 ( 0.000 -0.000 0.000) 0.000 4.754 ( 0.000 -0.000 0.000) 0.000 4.881 ( 0.000 -0.000 0.000) 0.000 4.887 ( -0.000 0.000 0.000) 0.000 5.041 ( -0.000 0.000 0.000) 0.000 5.103 ( 0.000 -0.000 0.000) 0.000 5.145 ( 0.000 -0.000 0.000) 0.000 5.390 ( 0.000 0.000 0.000) 0.000 5.813 ( 0.000 -0.000 0.000) 0.000 6.070 ( 0.000 -0.000 0.000) 0.000 6.462 ( 0.000 -0.000 0.000) 0.000 6.475 ( -0.000 0.000 -0.000) 0.000 6.625 ( 0.000 -0.000 -0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 6.886 ( 0.000 -0.000 0.000) 0.000 7.095 ( -0.000 0.000 0.000) 0.000 7.098 ( 0.000 -0.000 0.000) 0.000 7.426 ( -0.000 0.000 -0.000) 0.000 7.434 ( 0.000 -0.000 0.000) 0.000 7.510 ( 0.000 -0.000 0.000) 0.000 8.191 ( 0.000 -0.000 0.000) 0.000 8.474 ( -0.000 0.000 0.000) 0.000 8.476 ( 0.000 -0.000 0.000) 0.000 8.540 ( 0.000 -0.000 0.000) 0.000 8.685 ( 0.000 -0.000 0.000) 0.000 8.721 ( 0.000 -0.000 0.000) 0.000 8.889 ( 0.000 -0.000 0.000) 0.000 8.973 ( 0.000 -0.000 0.000) 0.000 9.025 ( 0.000 -0.000 0.000) 0.000 9.492 ( 0.000 -0.000 0.000) 0.000 9.500 ( 0.000 -0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.813 ( 0.000 -0.000 0.000) 0.000 10.052 ( 0.000 -0.000 0.000) 0.000 10.087 ( 0.000 -0.000 0.000) 0.000 10.098 ( 0.000 -0.000 0.000) 0.000 11.208 ( 0.000 -0.000 0.000) 0.000 11.357 ( 0.000 -0.000 0.000) 0.000 11.644 ( 0.000 -0.000 0.000) 0.000 11.649 ( -0.000 0.000 -0.000) 0.000 11.680 ( 0.000 -0.000 -0.000) 0.000 11.775 ( 0.000 -0.000 0.000) 0.000 12.063 ( 0.000 -0.000 -0.000) 0.000 12.108 ( -0.000 0.000 0.000) 0.000 12.426 ( 0.000 -0.000 0.000) 0.000 12.626 ( 0.000 -0.000 0.000) 0.000 12.970 ( 0.000 -0.000 0.000) 0.000 13.198 ( 0.000 -0.000 0.000) 0.000 13.303 ( 0.000 -0.000 0.000) 0.000 13.433 ( 0.000 -0.000 0.000) 0.000 13.473 ( -0.000 -0.000 -0.000) 0.000 13.535 ( 0.000 -0.000 0.000) 0.000 14.635 ( 0.000 -0.000 0.000) 0.000 14.726 ( 0.000 -0.000 0.000) 0.000 15.325 ( 0.000 -0.000 0.000) 0.000 15.378 ( -0.000 0.000 -0.000) 0.000 15.726 ( -0.000 -0.000 -0.000) 0.000 15.743 ( 0.000 -0.000 0.000) 0.000 16.113 ( 0.000 -0.000 0.000) 0.000 16.391 ( 0.000 -0.000 0.000) 0.000 16.480 ( 0.000 -0.000 0.000) 0.000 16.521 ( 0.000 -0.000 0.000) 0.000 16.676 ( 0.000 -0.000 0.000) 0.000 17.045 ( 0.000 -0.000 0.000) 0.000 17.159 ( 0.000 -0.000 0.000) 0.000 17.338 ( 0.000 -0.000 0.000) 0.000 17.935 ( 0.000 -0.000 -0.000) 0.000 17.974 ( 0.000 -0.000 0.000) 0.000 18.023 ( 0.000 -0.000 0.000) 0.000 18.113 ( 0.000 -0.000 0.000) 0.000 19.008 ( 0.000 -0.000 0.000) 0.000 19.364 ( 0.000 -0.000 0.000) 0.000 19.485 ( 0.000 -0.000 0.000) 0.000 19.603 ( 0.000 -0.000 0.000) 0.000 19.785 ( 0.000 -0.000 0.000) 0.000 20.054 ( 0.000 -0.000 0.000) 0.000 23.371 ( 0.000 -0.000 0.000) 0.000 23.538 ( 0.000 -0.000 0.000) 0.000 23.709 ( 0.000 -0.000 -0.000) 0.000 24.036 ( 0.000 -0.000 0.000) 0.000 25.158 ( 0.000 -0.000 0.000) 0.000 25.235 ( 0.000 -0.000 0.000) 0.000 25.371 ( 0.000 -0.000 0.000) 0.000 25.435 ( 0.000 -0.000 0.000) 0.000 25.839 ( 0.000 -0.000 0.000) 0.000 26.174 ( 0.000 -0.000 0.000) 0.000 26.293 ( 0.000 -0.000 0.000) 0.000 26.298 ( 0.000 -0.000 0.000) 0.000 29.960 ( -0.000 0.000 0.000) 0.000 30.051 ( 0.000 -0.000 0.000) 0.000 32.009 ( 0.000 -0.000 0.000) 0.000 32.068 ( 0.000 -0.000 0.000) 0.000 32.072 ( 0.000 0.000 0.000) 0.000 32.125 ( 0.000 -0.000 0.000) 0.000 32.869 ( 0.000 -0.000 -0.000) 0.000 32.881 ( -0.000 0.000 0.000) 0.000 35.541 ( 0.000 -0.000 0.000) 0.000 35.622 ( 0.000 -0.000 0.000) 0.000 36.011 ( 0.000 0.000 0.000) 0.000 36.203 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 5 (4/69) ======================= q-point: (-0.01 -0.11 0.51) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 21.235 13.067 -28.923) 38.186 2.350 ( 19.058 22.050 -11.527) 31.342 2.534 ( -10.361 -7.774 -31.436) 34.000 2.805 ( -19.511 -21.064 -3.554) 28.931 3.338 ( 17.701 28.163 -12.495) 35.533 3.578 ( -4.503 -3.669 -20.422) 21.232 3.730 ( 1.944 0.700 -21.576) 21.675 3.876 ( -11.790 -15.611 -9.106) 21.579 4.287 ( 5.605 -3.106 2.014) 6.717 4.360 ( -0.730 -1.887 4.334) 4.783 4.476 ( 3.015 -13.343 -1.858) 13.805 4.622 ( -9.937 5.171 -4.470) 12.061 5.425 ( -1.143 -6.960 1.610) 7.235 5.462 ( -4.417 11.281 1.736) 12.238 5.889 ( 5.933 -11.831 18.270) 22.561 5.963 ( -0.639 16.285 15.521) 22.506 6.236 ( 7.116 -3.850 11.958) 14.438 6.306 ( -3.349 -1.323 8.359) 9.102 6.403 ( -1.460 11.378 4.938) 12.489 6.465 ( -4.232 -9.783 3.021) 11.079 6.649 ( 4.680 0.798 -9.373) 10.507 6.727 ( -2.058 0.338 -3.248) 3.860 6.868 ( 11.509 2.448 -1.879) 11.916 7.027 ( 2.783 -1.436 -5.356) 6.204 7.069 ( -7.488 4.846 -2.235) 9.195 7.087 ( 1.861 -2.510 -5.844) 6.626 7.170 ( 0.604 -1.210 -0.753) 1.548 7.310 ( -8.176 1.446 -16.225) 18.226 7.583 ( 5.954 0.869 -7.817) 9.865 7.698 ( -2.914 -3.429 -6.216) 7.674 7.932 ( 1.698 4.481 -3.817) 6.126 7.986 ( -1.100 -1.569 -3.337) 3.848 8.188 ( 3.425 -4.394 -3.123) 6.387 8.281 ( -4.941 -5.294 -3.845) 8.199 8.397 ( -0.885 2.514 -9.188) 9.566 8.490 ( -7.594 4.451 -9.044) 12.620 9.151 ( 6.950 -11.831 2.158) 13.890 9.272 ( -5.190 9.405 -2.249) 10.975 9.456 ( 5.299 4.836 -1.490) 7.326 9.570 ( -6.479 -1.447 -0.894) 6.698 9.898 ( 5.791 13.713 -0.974) 14.918 9.952 ( 0.028 -12.311 -1.098) 12.360 10.112 ( 6.857 7.067 0.328) 9.852 10.261 ( -7.793 -10.357 0.894) 12.992 11.155 ( 2.070 2.128 -0.043) 2.969 11.225 ( -4.691 -1.925 1.622) 5.324 11.778 ( 4.733 11.874 -1.448) 12.864 11.892 ( -6.739 -13.750 -0.381) 15.317 12.196 ( 5.409 -4.849 5.331) 9.010 12.248 ( 0.788 -0.193 5.563) 5.622 12.365 ( 3.858 1.930 4.286) 6.081 12.413 ( -2.115 -3.438 4.847) 6.308 12.658 ( 3.047 -1.128 6.870) 7.599 12.731 ( -4.720 2.011 6.458) 8.249 13.165 ( -0.520 -1.397 -1.539) 2.143 13.191 ( -2.737 4.765 0.282) 5.503 13.431 ( 4.555 0.867 -1.441) 4.855 13.519 ( -4.576 0.887 3.424) 5.783 13.700 ( 0.006 2.644 5.834) 6.405 13.726 ( -2.192 -5.123 4.185) 6.969 14.701 ( 0.895 0.213 0.819) 1.232 14.708 ( 0.228 0.197 0.277) 0.409 15.162 ( 10.310 2.568 7.862) 13.218 15.341 ( -7.855 -1.526 7.876) 11.228 15.701 ( 4.578 -6.520 -1.712) 8.148 15.795 ( -5.041 6.587 -1.274) 8.392 16.085 ( 0.775 -5.357 -4.460) 7.013 16.110 ( -1.747 6.121 -5.258) 8.256 16.286 ( 2.455 -2.444 -7.436) 8.203 16.322 ( -1.224 2.722 -7.945) 8.487 16.770 ( 8.192 1.613 0.509) 8.364 16.896 ( -4.307 -5.888 -1.839) 7.524 17.071 ( 3.184 4.752 -1.868) 6.017 17.187 ( -8.391 -0.272 -1.573) 8.541 17.721 ( 9.637 1.877 5.337) 11.175 17.919 ( -7.733 -1.254 4.191) 8.885 18.026 ( 9.385 1.815 -6.619) 11.627 18.273 ( -12.629 -3.665 -7.368) 15.074 19.172 ( 4.927 -4.559 0.318) 6.720 19.203 ( 3.867 2.055 -0.012) 4.379 19.392 ( 3.231 -2.427 1.992) 4.505 19.526 ( -6.942 4.206 4.698) 9.378 19.732 ( 7.057 -0.818 -5.945) 9.264 19.940 ( -12.301 5.277 -2.817) 13.679 23.362 ( 8.901 2.927 4.429) 10.363 23.508 ( -3.472 -2.056 1.109) 4.185 23.822 ( 5.340 -1.221 -3.103) 6.296 24.047 ( -14.629 -4.178 -8.498) 17.426 25.071 ( 9.914 1.604 8.059) 12.877 25.224 ( -5.755 -0.120 5.206) 7.762 25.350 ( 4.498 1.516 -4.852) 6.787 25.405 ( -1.171 0.402 -3.196) 3.427 26.107 ( -1.301 3.275 0.462) 3.554 26.117 ( -2.333 -1.692 -0.218) 2.891 26.521 ( 13.182 -14.168 7.639) 20.805 26.661 ( -1.651 11.898 7.786) 14.314 29.985 ( 0.182 3.903 -0.310) 3.920 29.998 ( -1.194 -3.758 0.125) 3.945 32.690 ( 0.409 -4.299 17.541) 18.064 32.695 ( -0.166 7.366 16.643) 18.201 32.903 ( 5.229 -26.651 8.213) 28.374 32.991 ( -1.657 2.159 29.615) 29.739 33.014 ( 0.553 -0.987 25.315) 25.340 33.074 ( -7.633 22.655 7.400) 25.025 34.164 ( 1.052 3.891 -34.216) 34.452 34.190 ( -1.600 -4.052 -35.210) 35.478 34.601 ( 2.148 -3.119 -39.475) 39.656 34.674 ( -5.873 -0.570 -42.114) 42.526 ======================= Grid point 6 (5/69) ======================= q-point: (-0.01 0.14 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 19.154 35.286 8.577) 41.055 1.936 ( 27.077 8.586 30.714) 41.836 2.652 ( 18.047 1.091 23.411) 29.580 2.929 ( 9.951 -1.482 26.184) 28.050 3.219 ( -17.871 -11.804 8.811) 23.159 3.568 ( -1.740 7.548 21.909) 23.238 3.692 ( -2.908 -0.033 22.664) 22.849 4.241 ( -8.930 -6.086 -4.586) 11.740 4.263 ( -6.685 4.306 -3.224) 8.580 4.379 ( -4.260 -4.297 -1.022) 6.137 4.455 ( -7.280 -6.867 0.739) 10.035 4.846 ( -4.745 -14.572 7.313) 16.980 5.152 ( -0.438 10.628 -0.642) 10.656 5.617 ( 0.321 18.110 -11.890) 21.666 5.741 ( 1.942 -12.343 -4.988) 13.454 5.971 ( 4.927 12.404 -9.217) 16.220 6.079 ( 7.070 -1.753 -7.488) 10.446 6.239 ( -3.434 3.079 -8.945) 10.064 6.372 ( 1.104 8.316 -3.512) 9.094 6.498 ( 1.113 -6.816 -7.738) 10.372 6.638 ( 1.599 -2.180 0.538) 2.756 6.817 ( 8.585 -0.440 1.519) 8.729 6.920 ( -1.950 0.593 9.102) 9.328 7.008 ( -4.649 -4.651 2.309) 6.970 7.136 ( 8.981 -7.413 -2.099) 11.833 7.165 ( 2.940 0.792 -1.527) 3.406 7.299 ( -2.345 -12.127 4.489) 13.142 7.325 ( -6.527 -4.610 17.225) 18.988 7.545 ( -0.380 -0.126 8.957) 8.966 7.719 ( 7.376 7.055 8.026) 12.985 7.853 ( -11.216 0.399 8.709) 14.206 7.949 ( 1.054 2.593 2.196) 3.558 8.145 ( -5.915 12.062 2.749) 13.712 8.202 ( -0.524 -4.018 6.225) 7.427 8.543 ( 6.172 -9.565 2.883) 11.743 8.610 ( -7.390 -6.324 4.989) 10.931 8.952 ( -4.947 11.636 3.387) 13.090 9.366 ( 8.849 2.886 2.988) 9.776 9.461 ( 3.353 -8.599 -1.859) 9.415 9.535 ( -4.826 4.979 3.387) 7.717 9.676 ( 3.032 6.451 -0.164) 7.130 10.000 ( 8.164 3.785 -0.904) 9.044 10.164 ( 1.449 -8.231 -0.247) 8.362 10.433 ( -12.013 -6.526 0.687) 13.688 11.139 ( 0.963 -1.111 -0.818) 1.683 11.265 ( -2.053 -1.044 -2.482) 3.386 11.538 ( 1.285 11.490 4.085) 12.262 12.065 ( -5.037 -3.721 -2.967) 6.930 12.233 ( -1.731 -1.132 -7.081) 7.377 12.281 ( -1.330 -1.760 -4.821) 5.301 12.335 ( -0.163 0.849 -4.874) 4.950 12.482 ( -2.700 -3.129 -2.159) 4.663 12.689 ( 3.576 -1.859 -8.698) 9.586 12.711 ( -3.486 0.249 -5.154) 6.227 13.075 ( -0.485 5.492 0.537) 5.539 13.210 ( 2.992 -1.947 3.286) 4.852 13.421 ( 6.440 0.373 1.090) 6.542 13.507 ( -2.765 0.112 -5.273) 5.955 13.646 ( -3.506 2.232 -4.329) 6.001 13.833 ( -3.653 -4.775 -3.832) 7.129 14.693 ( 0.667 -0.054 -0.806) 1.048 14.744 ( 0.833 -2.771 -1.997) 3.516 15.114 ( 11.193 2.240 -8.097) 13.996 15.368 ( -6.868 -1.241 -7.944) 10.574 15.675 ( -5.337 5.349 2.467) 7.949 15.811 ( 4.957 -4.513 0.909) 6.765 15.963 ( -0.287 6.394 8.508) 10.647 16.190 ( 0.320 -1.335 3.364) 3.633 16.227 ( 0.271 0.701 4.731) 4.790 16.389 ( 1.738 -3.077 8.855) 9.534 16.728 ( 2.804 1.155 0.009) 3.033 16.904 ( 7.532 5.071 -0.481) 9.093 17.053 ( -9.156 -2.860 1.663) 9.736 17.216 ( -2.493 -2.177 4.134) 5.296 17.692 ( 8.993 1.198 -4.978) 10.348 17.939 ( 4.479 -0.619 3.472) 5.701 18.013 ( -4.234 -0.407 -1.566) 4.533 18.341 ( -12.736 -3.152 6.829) 14.791 19.153 ( 1.180 2.335 -0.241) 2.627 19.256 ( 3.989 -3.461 0.157) 5.284 19.393 ( -6.574 8.282 -3.791) 11.233 19.437 ( 5.786 -1.745 -2.621) 6.588 19.758 ( 12.733 -1.338 5.950) 14.119 19.846 ( -8.978 4.013 3.737) 10.520 23.322 ( 8.093 1.296 -5.200) 9.707 23.579 ( 0.644 -5.264 2.031) 5.679 23.808 ( -2.779 2.867 -0.592) 4.036 24.107 ( -18.080 -2.053 8.831) 20.226 25.050 ( 10.420 0.559 -7.889) 13.081 25.230 ( -3.622 -0.431 -4.785) 6.017 25.321 ( 6.176 1.337 5.087) 8.112 25.396 ( 0.263 0.460 2.769) 2.819 26.027 ( 1.790 4.268 -0.182) 4.632 26.144 ( -2.067 -0.934 0.187) 2.276 26.500 ( -4.964 4.930 -3.318) 7.743 26.860 ( 11.422 -19.259 -21.902) 31.322 29.755 ( -0.926 7.655 1.598) 7.874 30.383 ( 0.619 -23.335 -0.028) 23.343 32.145 ( -2.817 41.661 -5.402) 42.104 32.690 ( 1.873 0.725 -19.239) 19.343 32.827 ( -2.516 2.490 -23.560) 23.824 32.922 ( -2.375 2.843 -20.220) 20.556 33.084 ( -0.051 -2.950 -31.658) 31.795 33.446 ( 4.176 -20.177 -1.124) 20.636 34.107 ( 0.915 1.957 33.189) 33.259 34.276 ( -1.086 -4.317 35.165) 35.446 34.614 ( -4.294 0.789 40.874) 41.107 34.716 ( -8.762 -2.756 46.726) 47.621 ======================= Grid point 7 (6/69) ======================= q-point: (-0.01 0.39 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 9.870 0.000 -0.337) 9.876 2.131 ( 9.548 0.000 25.959) 27.660 3.421 ( -4.319 -0.000 -10.700) 11.539 3.634 ( -6.767 -0.000 4.213) 7.971 3.886 ( 1.030 0.000 -4.168) 4.293 3.895 ( 12.273 0.000 20.000) 23.465 4.030 ( -7.840 -0.000 7.192) 10.639 4.094 ( 2.747 0.000 7.894) 8.358 4.353 ( -7.371 -0.000 -20.091) 21.401 4.515 ( -8.287 -0.000 5.230) 9.800 4.889 ( 4.589 0.000 -2.994) 5.480 5.030 ( -6.663 -0.000 8.437) 10.751 5.175 ( 3.547 0.000 -7.353) 8.164 5.229 ( -2.409 -0.000 2.765) 3.667 5.543 ( 0.192 0.000 0.050) 0.198 5.570 ( 4.433 0.000 -0.697) 4.487 5.816 ( 1.093 0.000 4.843) 4.965 6.099 ( 4.752 0.000 -8.952) 10.135 6.128 ( -11.230 -0.000 -7.837) 13.694 6.244 ( 3.507 0.000 3.354) 4.853 6.501 ( -0.246 -0.000 0.644) 0.689 6.948 ( 6.296 0.000 5.233) 8.187 7.140 ( 9.266 0.000 -0.333) 9.271 7.221 ( 3.390 0.000 1.001) 3.535 7.285 ( 2.994 0.000 5.023) 5.848 7.443 ( 1.731 0.000 5.979) 6.224 7.590 ( -0.046 0.000 -1.613) 1.614 7.738 ( -7.576 -0.000 -3.357) 8.287 7.839 ( 2.377 0.000 -1.176) 2.652 7.972 ( -0.934 -0.000 14.252) 14.283 8.118 ( -9.106 -0.000 14.752) 17.336 8.357 ( -2.461 -0.000 1.316) 2.791 8.512 ( 0.325 -0.000 23.909) 23.911 8.631 ( 1.548 0.000 13.717) 13.804 8.632 ( -2.695 -0.000 6.379) 6.925 9.080 ( 3.176 0.000 5.497) 6.349 9.150 ( -1.215 -0.000 2.554) 2.829 9.332 ( -0.934 -0.000 -1.160) 1.490 9.615 ( 2.212 0.000 5.116) 5.574 9.618 ( 1.626 0.000 4.221) 4.524 9.713 ( 1.801 0.000 1.916) 2.629 9.927 ( 3.416 0.000 2.435) 4.195 10.226 ( -1.735 -0.000 -2.097) 2.722 10.568 ( -1.210 -0.000 0.189) 1.225 11.083 ( -0.350 -0.000 -2.530) 2.554 11.156 ( -2.096 -0.000 -1.083) 2.359 11.609 ( 2.035 0.000 -11.434) 11.613 11.641 ( -1.158 -0.000 3.192) 3.395 11.812 ( -3.322 -0.000 -12.139) 12.585 11.834 ( -1.208 -0.000 -10.510) 10.579 12.129 ( -0.442 0.000 -14.465) 14.472 12.287 ( -5.673 -0.000 -1.327) 5.826 12.531 ( -0.843 -0.000 -3.322) 3.427 12.546 ( 0.693 0.000 0.421) 0.810 12.909 ( 0.565 0.000 -3.273) 3.321 13.206 ( -6.208 -0.000 -9.175) 11.078 13.220 ( 0.895 0.000 -3.577) 3.687 13.438 ( 5.176 0.000 0.156) 5.179 13.631 ( 1.652 0.000 5.304) 5.555 13.719 ( -0.125 -0.000 -0.650) 0.662 14.661 ( 2.434 0.000 0.174) 2.440 14.715 ( -0.492 -0.000 -0.423) 0.648 15.092 ( 6.021 0.000 6.830) 9.105 15.334 ( -6.180 -0.000 4.721) 7.777 15.792 ( -2.679 -0.000 2.606) 3.738 15.812 ( 4.940 0.000 -3.042) 5.802 15.987 ( -1.823 -0.000 -2.224) 2.876 16.343 ( -1.209 -0.000 2.822) 3.070 16.436 ( 1.058 0.000 4.169) 4.301 16.727 ( -0.518 -0.000 2.598) 2.649 16.780 ( 3.182 0.000 3.012) 4.382 16.830 ( 12.434 0.000 -0.297) 12.437 17.070 ( -13.328 -0.000 0.162) 13.329 17.445 ( 0.237 0.000 2.560) 2.571 17.557 ( 1.811 0.000 -0.743) 1.958 17.744 ( -9.491 -0.000 -6.231) 11.354 18.274 ( 10.115 0.000 6.927) 12.259 18.523 ( -0.263 -0.000 0.374) 0.457 19.072 ( -3.055 -0.000 -1.826) 3.559 19.252 ( 1.736 0.000 -1.346) 2.197 19.390 ( -1.213 -0.000 3.023) 3.258 19.391 ( -1.609 -0.000 0.066) 1.611 19.936 ( -1.772 -0.000 1.380) 2.246 19.988 ( 5.763 0.000 4.228) 7.148 23.218 ( 2.107 0.000 0.336) 2.134 23.490 ( -7.052 -0.000 -4.913) 8.595 24.007 ( 14.119 0.000 8.842) 16.659 24.464 ( -9.183 -0.000 4.381) 10.174 24.727 ( 5.905 0.000 -5.083) 7.791 24.977 ( -10.519 -0.000 -7.819) 13.107 25.473 ( 3.637 0.000 2.745) 4.556 25.481 ( 1.553 0.000 1.805) 2.381 25.999 ( 6.768 0.000 1.076) 6.853 26.183 ( 0.075 -0.000 1.713) 1.715 26.243 ( -1.532 -0.000 -5.343) 5.558 26.381 ( 0.103 0.000 -5.909) 5.910 29.721 ( -0.820 -0.000 0.226) 0.850 30.766 ( 1.075 0.000 0.844) 1.367 31.569 ( -0.226 -0.000 -0.278) 0.358 32.089 ( -0.053 0.000 -7.908) 7.908 32.112 ( 1.583 0.000 -8.439) 8.586 32.220 ( 0.889 0.000 -11.123) 11.159 32.308 ( -4.521 -0.000 -11.665) 12.511 33.609 ( 0.798 0.000 -0.393) 0.890 35.296 ( 0.987 -0.000 20.663) 20.687 35.438 ( 0.077 -0.000 16.998) 16.999 35.815 ( -3.033 -0.000 17.195) 17.461 36.113 ( -8.996 -0.000 14.925) 17.426 ======================= Grid point 8 (7/69) ======================= q-point: (-0.01 -0.36 -0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -5.574 -8.014 2.225) 10.013 2.671 ( -18.627 -19.075 -2.390) 26.768 3.135 ( -3.063 16.871 -6.419) 18.309 3.342 ( 7.184 11.865 -12.351) 18.573 3.692 ( 11.733 1.132 14.564) 18.737 3.934 ( 9.269 -7.490 -7.612) 14.140 4.188 ( -3.106 -7.502 -5.513) 9.815 4.272 ( -11.450 6.271 -5.743) 14.263 4.383 ( -0.970 -8.730 -8.239) 12.043 4.556 ( 7.614 -20.750 0.364) 22.106 4.810 ( -0.334 7.160 -4.591) 8.512 5.036 ( 0.745 1.252 -1.201) 1.888 5.088 ( 4.654 5.107 -9.857) 12.037 5.166 ( 0.005 -1.961 6.464) 6.755 5.452 ( 3.201 5.297 9.675) 11.485 5.777 ( -8.753 15.652 -0.741) 17.949 5.809 ( 3.038 1.365 6.551) 7.349 5.903 ( 1.416 -9.002 5.459) 10.622 6.082 ( -8.362 -0.412 4.077) 9.312 6.459 ( -0.208 -11.381 -2.836) 11.731 6.590 ( 0.053 -1.203 -2.012) 2.345 6.985 ( 1.119 2.773 -1.866) 3.525 7.085 ( -0.274 13.956 0.979) 13.993 7.217 ( 5.792 -3.439 1.325) 6.865 7.270 ( 4.678 8.105 -5.365) 10.787 7.378 ( -0.944 -1.126 -3.261) 3.576 7.500 ( 5.328 7.069 -2.749) 9.269 7.641 ( 0.321 2.145 -1.429) 2.597 7.874 ( -7.087 -4.510 3.473) 9.090 8.021 ( -4.974 0.160 -6.753) 8.389 8.141 ( -1.574 -8.992 -19.988) 21.974 8.422 ( 2.356 -5.576 -8.490) 10.427 8.499 ( 0.378 3.965 -15.217) 15.730 8.620 ( -3.229 -0.368 -18.101) 18.390 8.741 ( -1.719 -7.184 -5.251) 9.063 9.006 ( 7.287 -0.953 -5.233) 9.022 9.103 ( -1.538 6.346 -5.736) 8.691 9.406 ( -2.568 -3.209 0.476) 4.137 9.535 ( -2.814 6.628 0.694) 7.234 9.654 ( -0.464 4.844 -1.198) 5.012 9.860 ( -0.602 -10.766 -4.262) 11.595 9.992 ( 1.174 -3.727 -0.354) 3.923 10.139 ( 1.180 2.893 2.849) 4.228 10.344 ( 8.843 9.485 -4.971) 13.888 11.104 ( -2.021 -0.535 1.656) 2.667 11.224 ( -5.278 0.180 1.896) 5.611 11.665 ( 0.784 -1.465 8.452) 8.614 11.693 ( -0.241 -5.244 8.958) 10.383 11.749 ( -0.880 -2.464 2.207) 3.423 11.831 ( 2.378 -1.698 8.704) 9.181 12.085 ( 4.329 -0.587 10.727) 11.583 12.265 ( 1.837 -5.475 -2.056) 6.129 12.419 ( -0.010 9.336 4.954) 10.569 12.566 ( -4.178 3.104 2.451) 5.753 12.992 ( -3.679 -1.617 6.589) 7.718 13.065 ( -0.601 3.212 5.259) 6.192 13.292 ( 1.784 -4.838 2.755) 5.846 13.480 ( -1.118 3.084 3.415) 4.736 13.646 ( 1.036 -0.740 -3.227) 3.469 13.666 ( 2.981 1.060 -3.135) 4.454 14.695 ( 1.028 0.673 1.114) 1.658 14.703 ( -1.628 0.059 -0.120) 1.634 15.206 ( 4.775 1.835 -7.775) 9.307 15.245 ( -7.393 -1.582 -2.294) 7.901 15.747 ( 3.615 -1.123 -2.738) 4.672 15.869 ( -2.645 1.625 3.938) 5.014 16.011 ( 1.123 -5.202 0.684) 5.365 16.310 ( -2.831 5.201 -1.856) 6.206 16.477 ( 2.340 -5.173 -4.533) 7.266 16.721 ( 3.602 -1.284 -1.730) 4.198 16.767 ( 1.352 3.881 -2.752) 4.946 16.888 ( 5.230 -4.879 -0.956) 7.216 17.091 ( -9.769 -1.101 0.207) 9.833 17.381 ( -1.196 6.695 -1.834) 7.044 17.608 ( 1.917 1.196 1.257) 2.585 17.669 ( -7.725 -1.306 4.654) 9.113 18.390 ( 9.963 2.349 -6.009) 11.870 18.415 ( -1.203 -1.617 -1.088) 2.290 19.079 ( -0.012 -5.407 -0.481) 5.428 19.218 ( 5.842 -0.959 -0.875) 5.984 19.380 ( -3.714 3.074 -0.192) 4.825 19.438 ( -5.883 1.355 2.126) 6.400 19.910 ( 3.135 -1.187 -3.362) 4.748 20.074 ( -4.590 1.863 0.555) 4.985 23.311 ( -5.311 -1.716 3.246) 6.456 23.351 ( 2.857 2.945 -0.191) 4.107 24.154 ( 16.022 1.392 -10.171) 19.029 24.258 ( -2.849 -4.685 -3.393) 6.448 24.805 ( 1.821 1.817 3.813) 4.600 24.948 ( -12.617 0.049 8.394) 15.154 25.504 ( 0.215 0.099 -1.472) 1.491 25.506 ( 0.297 0.106 -1.229) 1.269 26.087 ( 3.792 -0.745 0.672) 3.923 26.137 ( 0.340 0.141 -0.403) 0.546 26.249 ( -0.988 -1.367 1.171) 2.053 26.370 ( -1.105 2.439 8.310) 8.731 29.772 ( 0.668 -7.233 -0.753) 7.303 30.415 ( -0.853 25.416 0.066) 25.430 32.022 ( -0.354 -26.611 3.084) 26.792 32.101 ( 0.224 -1.781 8.654) 8.838 32.149 ( -1.438 -0.973 8.829) 8.998 32.217 ( 1.319 0.657 9.886) 9.995 32.284 ( 1.153 -10.166 7.710) 12.811 33.429 ( -1.440 20.672 1.869) 20.806 35.342 ( -1.879 -1.767 -19.411) 19.581 35.412 ( 0.523 2.434 -17.574) 17.750 35.805 ( 1.404 -4.204 -19.084) 19.592 35.957 ( 2.805 2.474 -20.586) 20.923 ======================= Grid point 9 (8/69) ======================= q-point: (-0.03 -0.23 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 103 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -13.565 -0.000 -29.969) 32.896 1.657 ( -17.365 -0.000 -22.447) 28.380 2.946 ( -16.942 -0.000 -46.031) 49.049 3.655 ( -3.969 -0.000 -17.790) 18.228 3.763 ( 7.730 0.000 3.255) 8.387 3.845 ( 3.990 0.000 -16.148) 16.634 3.977 ( 11.662 0.000 14.853) 18.885 4.006 ( 0.754 0.000 -1.640) 1.805 4.408 ( 6.738 0.000 -18.446) 19.638 4.775 ( -3.884 -0.000 -8.348) 9.207 4.885 ( 3.017 0.000 7.317) 7.914 4.984 ( 7.656 0.000 -11.658) 13.947 5.201 ( -0.729 -0.000 4.014) 4.080 5.210 ( -0.613 -0.000 5.472) 5.506 5.595 ( -3.939 -0.000 10.492) 11.207 5.618 ( 2.689 0.000 7.426) 7.898 5.840 ( -1.832 -0.000 3.545) 3.991 6.085 ( -5.646 -0.000 -0.456) 5.664 6.279 ( 6.446 0.000 6.522) 9.170 6.416 ( -0.655 -0.000 10.278) 10.299 6.556 ( 2.743 0.000 1.675) 3.214 6.839 ( 2.755 0.000 -0.217) 2.764 6.843 ( -10.387 -0.000 -1.151) 10.451 7.100 ( -2.868 -0.000 -9.291) 9.723 7.100 ( -5.475 -0.000 -0.500) 5.498 7.124 ( -11.035 -0.000 -10.342) 15.123 7.522 ( -1.665 -0.000 -7.948) 8.121 7.767 ( -5.125 -0.000 -0.238) 5.131 7.829 ( 1.868 0.000 -15.093) 15.208 7.838 ( 0.129 0.000 -3.798) 3.800 7.938 ( 4.897 0.000 -2.735) 5.609 8.076 ( 7.724 0.000 -26.279) 27.391 8.435 ( 7.866 0.000 -7.013) 10.538 8.457 ( 5.664 0.000 -9.397) 10.972 8.536 ( 2.227 0.000 -5.242) 5.695 8.747 ( -6.521 -0.000 -8.852) 10.995 9.192 ( 5.989 0.000 -1.919) 6.289 9.321 ( -4.583 -0.000 -6.768) 8.174 9.387 ( -5.259 -0.000 -2.636) 5.882 9.506 ( -1.333 -0.000 -4.202) 4.408 9.759 ( 8.545 0.000 1.429) 8.664 9.773 ( -9.834 -0.000 -2.820) 10.230 10.238 ( -0.126 -0.000 -1.348) 1.354 10.608 ( -1.212 -0.000 4.933) 5.080 11.184 ( 3.233 0.000 3.952) 5.106 11.200 ( 2.441 0.000 -2.123) 3.235 11.584 ( 2.190 0.000 -4.991) 5.451 11.864 ( -0.791 -0.000 15.437) 15.457 12.054 ( -0.628 -0.000 9.100) 9.121 12.139 ( 0.227 -0.000 13.709) 13.711 12.419 ( 3.943 0.000 0.277) 3.953 12.427 ( -1.504 -0.000 13.333) 13.418 12.548 ( 2.243 0.000 0.950) 2.435 12.673 ( 3.916 0.000 5.745) 6.953 12.998 ( 2.587 0.000 4.017) 4.778 13.234 ( -7.503 -0.000 4.005) 8.505 13.259 ( -2.028 -0.000 -4.440) 4.881 13.537 ( 2.980 0.000 -1.968) 3.571 13.605 ( 6.051 0.000 10.760) 12.344 13.799 ( -0.723 -0.000 9.995) 10.021 14.620 ( -3.141 -0.000 1.682) 3.563 14.715 ( -0.685 -0.000 -0.224) 0.721 14.826 ( -7.638 -0.000 -3.745) 8.507 15.387 ( 4.103 0.000 -0.288) 4.113 15.752 ( -4.887 -0.000 1.380) 5.078 15.795 ( 4.162 0.000 -3.648) 5.534 16.038 ( 1.935 0.000 -2.865) 3.457 16.284 ( -2.547 -0.000 -6.274) 6.772 16.322 ( 2.900 0.000 -3.583) 4.610 16.556 ( -2.252 -0.000 -8.591) 8.882 16.606 ( -9.094 -0.000 -1.557) 9.226 16.774 ( 1.149 0.000 -0.031) 1.150 17.315 ( 10.084 0.000 1.062) 10.139 17.382 ( 1.135 0.000 -3.902) 4.063 17.540 ( 0.627 0.000 -1.085) 1.253 17.889 ( -11.049 -0.000 -8.292) 13.814 18.098 ( 9.783 0.000 7.505) 12.330 18.515 ( -2.209 -0.000 2.918) 3.660 19.027 ( -6.768 -0.000 -0.299) 6.775 19.322 ( 3.569 0.000 1.756) 3.978 19.354 ( 5.127 0.000 -7.066) 8.730 19.426 ( 1.558 0.000 -0.370) 1.601 19.692 ( -9.832 -0.000 -9.541) 13.700 19.956 ( 2.697 0.000 -1.072) 2.902 23.150 ( -3.334 -0.000 -1.309) 3.582 23.615 ( -9.122 -0.000 -5.741) 10.778 23.831 ( 11.224 0.000 9.875) 14.950 24.543 ( -1.321 -0.000 4.618) 4.803 24.756 ( 5.985 0.000 -2.779) 6.599 25.208 ( 1.968 0.000 2.550) 3.221 25.268 ( -8.528 -0.000 -5.857) 10.346 25.410 ( -0.976 -0.000 -2.328) 2.524 25.865 ( -8.222 -0.000 1.736) 8.403 26.199 ( 2.502 0.000 0.797) 2.626 26.289 ( -9.848 -0.000 6.539) 11.821 26.483 ( -0.049 -0.000 4.175) 4.176 29.742 ( 1.351 0.000 0.147) 1.359 30.718 ( -1.125 -0.000 -1.523) 1.894 31.579 ( 0.233 0.000 0.296) 0.377 32.307 ( -1.339 -0.000 14.656) 14.717 32.342 ( -0.280 -0.000 18.233) 18.235 32.552 ( -0.180 -0.000 23.474) 23.475 32.698 ( 4.669 0.000 16.969) 17.600 33.593 ( -0.893 -0.000 -0.213) 0.918 34.739 ( -0.509 0.000 -32.826) 32.830 34.963 ( -0.171 0.000 -29.957) 29.957 35.374 ( 1.513 0.000 -31.902) 31.938 36.091 ( 26.552 0.000 -20.236) 33.384 ======================= Grid point 10 (9/69) ======================= q-point: (-0.03 0.02 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -27.947 -17.905 -0.000) 33.190 1.195 ( -34.077 -26.716 -0.000) 43.301 1.743 ( -32.300 -51.770 -0.000) 61.020 2.554 ( 1.551 10.486 0.000) 10.600 3.174 ( 1.199 -4.035 -0.000) 4.209 3.355 ( 1.676 -5.736 -0.000) 5.976 3.701 ( 12.876 24.293 0.000) 27.495 4.334 ( -2.545 9.668 0.000) 9.997 4.402 ( 2.316 13.952 0.000) 14.143 4.569 ( 9.809 -2.440 -0.000) 10.108 4.775 ( 8.800 6.292 0.000) 10.818 4.808 ( 9.754 4.066 -0.000) 10.568 5.136 ( -3.695 -11.995 -0.000) 12.551 5.636 ( -6.957 -17.786 -0.000) 19.098 5.765 ( -0.687 13.648 0.000) 13.665 6.026 ( -3.601 -7.811 -0.000) 8.601 6.065 ( -1.095 -11.334 -0.000) 11.387 6.213 ( -9.804 -7.133 -0.000) 12.124 6.344 ( 0.643 -6.590 -0.000) 6.622 6.497 ( -1.869 2.244 0.000) 2.921 6.575 ( -1.897 4.903 0.000) 5.257 6.849 ( -10.892 -1.969 0.000) 11.069 6.860 ( 9.491 5.462 0.000) 10.950 7.067 ( 2.800 -1.831 -0.000) 3.346 7.092 ( 6.063 11.968 0.000) 13.416 7.218 ( -1.267 16.421 0.000) 16.470 7.288 ( -3.056 8.412 0.000) 8.949 7.312 ( -1.584 0.545 0.000) 1.675 7.409 ( 5.257 -2.949 -0.000) 6.027 7.550 ( -0.895 -8.334 -0.000) 8.382 7.773 ( -2.630 -2.124 -0.000) 3.381 7.898 ( 4.697 0.194 -0.000) 4.701 8.115 ( -5.000 5.890 0.000) 7.726 8.275 ( 4.291 -11.135 -0.000) 11.933 8.459 ( 0.118 11.325 0.000) 11.326 8.835 ( 17.231 9.864 0.000) 19.855 8.966 ( 2.114 -13.464 -0.000) 13.629 9.146 ( -9.164 -7.954 -0.000) 12.134 9.390 ( -5.671 6.412 0.000) 8.560 9.500 ( -5.051 -6.390 -0.000) 8.145 9.684 ( -6.367 -2.618 0.000) 6.885 9.864 ( 2.791 -4.534 -0.000) 5.324 10.126 ( -2.214 9.273 0.000) 9.533 10.677 ( 11.728 8.243 0.000) 14.335 11.122 ( -1.269 1.180 0.000) 1.733 11.362 ( 2.892 0.501 -0.000) 2.935 11.493 ( 1.929 -10.271 -0.000) 10.451 12.159 ( 0.211 1.033 0.000) 1.055 12.266 ( -3.653 2.937 0.000) 4.687 12.325 ( -5.105 3.146 0.000) 5.996 12.376 ( 6.983 7.158 0.000) 10.000 12.569 ( 2.796 2.083 0.000) 3.487 12.713 ( -3.594 2.758 0.000) 4.531 12.832 ( 2.745 -1.195 -0.000) 2.993 13.135 ( 4.493 -7.828 -0.000) 9.026 13.152 ( 0.736 -1.340 -0.000) 1.529 13.307 ( -4.024 -0.376 0.000) 4.041 13.620 ( 3.310 -2.926 -0.000) 4.418 13.765 ( 3.183 0.150 -0.000) 3.187 13.899 ( 1.462 4.551 0.000) 4.780 14.690 ( -0.489 0.111 0.000) 0.501 14.733 ( -4.876 6.333 0.000) 7.992 15.023 ( -9.618 -1.947 0.000) 9.814 15.571 ( 3.992 0.605 -0.000) 4.037 15.726 ( -3.876 3.930 0.000) 5.519 15.780 ( 6.459 -5.683 -0.000) 8.604 15.840 ( 0.555 -9.207 -0.000) 9.224 16.115 ( -0.703 3.575 0.000) 3.644 16.149 ( -0.688 -3.237 -0.000) 3.309 16.270 ( -3.644 6.261 0.000) 7.244 16.599 ( -9.102 -0.519 0.000) 9.116 16.846 ( 0.261 -9.298 -0.000) 9.302 17.084 ( 1.408 7.645 0.000) 7.773 17.352 ( 10.268 -0.817 -0.000) 10.300 17.610 ( -7.342 -0.436 0.000) 7.355 17.652 ( -7.024 -0.595 0.000) 7.049 18.263 ( 6.186 3.775 0.000) 7.247 18.518 ( 11.956 3.183 -0.000) 12.372 19.041 ( -7.626 -1.959 0.000) 7.873 19.162 ( -5.120 3.772 0.000) 6.359 19.347 ( -7.924 3.951 0.000) 8.855 19.470 ( -4.059 -1.863 -0.000) 4.466 19.695 ( 15.722 -13.539 -0.000) 20.748 20.040 ( 16.217 -12.152 -0.000) 20.265 23.295 ( -12.273 5.885 0.000) 13.611 23.316 ( -3.557 -1.037 0.000) 3.705 24.103 ( 11.914 3.645 -0.000) 12.459 24.345 ( 18.129 4.147 -0.000) 18.598 24.961 ( -13.212 1.173 0.000) 13.264 25.063 ( -6.118 -4.166 -0.000) 7.402 25.295 ( -0.882 -2.694 -0.000) 2.835 25.360 ( -0.387 -0.718 -0.000) 0.816 26.028 ( 0.574 -9.005 -0.000) 9.024 26.209 ( 3.342 1.258 -0.000) 3.571 26.573 ( 0.110 -2.954 -0.000) 2.956 26.693 ( -45.753 49.303 0.000) 67.262 29.733 ( 0.224 -8.282 -0.000) 8.285 30.415 ( 2.706 18.947 0.000) 19.139 32.488 ( 17.586 -41.451 -0.000) 45.028 32.940 ( -1.133 -1.173 -0.000) 1.630 33.155 ( 3.672 -1.001 -0.000) 3.806 33.389 ( -2.012 20.360 0.000) 20.459 33.451 ( 14.167 -17.690 -0.000) 22.663 33.633 ( 0.641 4.381 0.000) 4.427 33.675 ( -0.261 -1.376 -0.000) 1.401 33.805 ( 0.376 3.920 0.000) 3.938 33.969 ( 0.513 -3.660 -0.000) 3.696 34.038 ( -0.586 1.842 0.000) 1.933 ======================= Grid point 11 (10/69) ======================= q-point: (-0.03 0.28 -0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -14.468 -17.026 16.983) 28.064 2.510 ( -7.870 -30.095 14.986) 34.528 3.158 ( 7.956 15.146 12.318) 21.082 3.312 ( 9.364 -9.133 16.073) 20.723 3.537 ( -2.444 -2.496 12.854) 13.320 3.747 ( -7.225 14.541 5.551) 17.160 4.083 ( 2.870 -7.378 15.956) 17.812 4.239 ( 5.017 -0.490 -3.950) 6.405 4.288 ( -1.925 -1.588 13.077) 13.313 4.450 ( -2.491 13.650 9.352) 16.733 4.557 ( 0.830 14.147 20.088) 24.583 4.864 ( 2.582 7.224 7.730) 10.891 5.334 ( -1.510 2.554 -18.498) 18.735 5.471 ( 3.380 11.672 -5.682) 13.414 5.624 ( 0.775 -13.545 -15.343) 20.481 5.637 ( 2.705 -8.517 -6.508) 11.055 5.792 ( -5.425 1.839 -9.611) 11.188 6.195 ( 4.365 -11.045 -10.187) 15.647 6.341 ( 1.151 -2.437 -6.556) 7.089 6.505 ( -1.519 7.685 1.065) 7.906 6.606 ( -4.566 0.331 -0.975) 4.680 6.747 ( -0.429 2.974 3.966) 4.976 6.790 ( -1.964 -14.157 5.280) 15.237 7.014 ( -6.217 5.367 3.060) 8.764 7.079 ( -5.577 -1.829 7.376) 9.426 7.253 ( 0.632 -1.859 4.048) 4.499 7.292 ( -0.306 -3.337 7.234) 7.972 7.535 ( -4.999 4.438 -2.708) 7.213 7.885 ( 5.845 0.246 25.717) 26.374 7.981 ( 5.854 -5.680 14.963) 17.042 8.096 ( 2.246 9.871 6.942) 12.275 8.160 ( -0.459 -3.441 17.379) 17.723 8.222 ( 2.906 -0.032 2.003) 3.530 8.523 ( 8.159 2.390 5.176) 9.953 8.626 ( 0.577 -1.121 12.093) 12.158 8.858 ( 3.874 -0.767 10.308) 11.039 8.939 ( -7.043 9.193 -2.468) 11.841 9.370 ( -2.569 -9.348 0.981) 9.744 9.425 ( -0.215 -2.040 4.399) 4.853 9.643 ( 1.425 0.129 -1.993) 2.453 9.800 ( -6.997 -11.532 2.720) 13.760 9.986 ( -0.934 9.572 3.295) 10.166 10.051 ( 1.092 -7.049 0.800) 7.178 10.304 ( 0.428 13.185 -4.496) 13.937 11.185 ( 2.194 0.369 1.644) 2.766 11.267 ( 3.871 -1.747 -1.517) 4.510 11.737 ( -1.927 -5.263 -0.698) 5.648 11.943 ( 0.264 0.143 -8.174) 8.180 12.004 ( 1.983 7.226 -6.931) 10.207 12.030 ( -0.369 6.523 -9.375) 11.428 12.164 ( -5.986 2.982 -5.357) 8.568 12.357 ( 0.760 6.679 -2.693) 7.242 12.452 ( -1.444 -1.208 -9.688) 9.869 12.715 ( 5.694 -2.055 -5.685) 8.304 13.087 ( 0.264 -2.795 -6.916) 7.464 13.264 ( 2.366 -0.149 2.679) 3.578 13.335 ( -4.219 -4.400 -4.640) 7.661 13.512 ( 0.612 2.803 -8.170) 8.660 13.603 ( 4.544 -1.347 -3.149) 5.690 13.678 ( -0.969 2.771 -3.693) 4.717 14.660 ( -1.292 -2.124 -0.690) 2.580 14.700 ( -1.098 -0.379 1.181) 1.657 14.925 ( -5.767 -3.228 2.761) 7.163 15.383 ( 5.905 0.088 -0.091) 5.906 15.661 ( -4.334 3.829 1.809) 6.060 15.899 ( 2.959 -4.137 0.459) 5.107 16.098 ( -1.694 5.499 0.193) 5.758 16.240 ( 4.656 -4.788 2.895) 7.279 16.412 ( -2.844 1.934 8.141) 8.838 16.493 ( -2.281 -2.884 6.689) 7.633 16.641 ( -3.959 -1.156 1.515) 4.393 17.007 ( 0.779 12.500 3.135) 12.911 17.076 ( 1.235 -12.091 1.045) 12.199 17.348 ( 4.000 0.433 -0.332) 4.038 17.575 ( 2.081 -1.314 1.662) 2.970 17.916 ( -9.406 -1.849 6.559) 11.615 18.057 ( 8.480 1.568 -4.196) 9.591 18.446 ( -2.947 2.694 -2.432) 4.675 19.074 ( -6.057 -1.114 -0.293) 6.165 19.194 ( 4.520 5.985 6.024) 9.619 19.395 ( 0.357 1.136 2.376) 2.657 19.543 ( 1.549 -0.902 -0.519) 1.866 19.747 ( -1.776 -5.318 1.159) 5.725 20.129 ( 5.642 -6.356 -2.210) 8.782 23.199 ( -3.777 -2.401 1.821) 4.832 23.547 ( -0.685 0.634 2.801) 2.953 23.794 ( 1.644 3.341 -3.212) 4.918 24.356 ( -3.118 7.574 -2.174) 8.474 24.829 ( 5.807 -3.075 1.563) 6.754 25.242 ( 5.175 -1.616 -3.730) 6.581 25.351 ( -5.969 -2.897 5.083) 8.358 25.439 ( -1.721 -1.227 1.688) 2.705 25.966 ( -10.399 -2.457 -3.478) 11.237 26.170 ( 2.358 1.492 -0.294) 2.806 26.291 ( 0.094 -0.986 0.123) 0.998 26.489 ( -1.901 -2.265 -7.499) 8.062 29.983 ( -0.095 16.427 -0.690) 16.441 30.020 ( 0.785 -16.485 0.619) 16.515 32.330 ( -1.143 -0.875 -15.282) 15.349 32.399 ( 0.474 -2.925 -15.210) 15.496 32.475 ( -0.280 -3.463 -18.285) 18.612 32.486 ( -0.009 2.843 -21.436) 21.623 32.851 ( -0.861 33.054 -0.395) 33.067 33.052 ( 4.060 -28.468 -8.559) 30.002 34.824 ( -0.559 -4.170 32.570) 32.840 34.905 ( 1.061 2.817 32.163) 32.303 35.301 ( -0.942 3.701 33.455) 33.672 35.592 ( 8.132 13.831 30.908) 34.824 ======================= Grid point 12 (11/69) ======================= q-point: (-0.03 -0.47 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 12.338 1.594 -12.464) 17.611 2.867 ( -6.305 8.985 -27.788) 29.877 3.125 ( 15.026 1.297 10.740) 18.515 3.350 ( -10.982 -6.211 4.280) 13.323 3.737 ( -2.818 5.989 11.857) 13.579 3.905 ( -3.590 -3.393 14.407) 15.230 4.251 ( 3.298 2.069 -3.092) 4.972 4.355 ( -1.874 22.336 -5.499) 23.079 4.396 ( -3.076 5.683 -0.797) 6.511 4.568 ( 7.756 -4.536 3.860) 9.779 4.830 ( 5.536 -7.124 -7.288) 11.597 5.085 ( -2.339 1.921 6.458) 7.132 5.128 ( -0.378 3.208 -2.044) 3.822 5.147 ( -3.681 1.070 4.578) 5.971 5.370 ( -3.608 -17.760 7.587) 19.647 5.529 ( -9.394 -7.512 -1.292) 12.098 5.847 ( 6.665 -8.803 -7.302) 13.237 5.949 ( 9.778 4.612 -3.853) 11.477 6.178 ( 1.618 4.174 -2.406) 5.083 6.499 ( 0.260 14.250 2.540) 14.477 6.627 ( 2.366 -1.519 -0.108) 2.813 6.902 ( -7.697 -4.264 -4.553) 9.907 6.937 ( -7.721 -5.002 0.410) 9.209 7.012 ( -5.582 3.561 -1.171) 6.723 7.297 ( -2.540 -11.296 1.751) 11.709 7.389 ( -1.281 3.508 -2.557) 4.527 7.581 ( -1.772 -1.943 -0.472) 2.671 7.616 ( 2.075 -14.574 4.211) 15.311 7.930 ( 6.359 11.018 -4.511) 13.498 8.250 ( 3.742 10.543 6.530) 12.954 8.409 ( 1.460 1.442 2.724) 3.411 8.540 ( 2.235 6.939 -5.309) 9.018 8.687 ( 4.675 -4.838 3.720) 7.688 8.822 ( 2.939 0.986 -3.505) 4.679 8.868 ( -1.920 -1.451 2.504) 3.473 8.984 ( -2.468 -0.501 0.303) 2.536 9.072 ( -3.358 -1.693 -1.152) 3.933 9.446 ( 2.366 4.362 -1.254) 5.118 9.528 ( -3.174 -2.663 -0.537) 4.177 9.627 ( -0.584 -7.011 -2.666) 7.524 9.802 ( -3.058 4.153 -3.575) 6.275 10.028 ( -0.539 3.987 -4.404) 5.965 10.089 ( -0.055 -2.790 7.300) 7.815 10.292 ( -6.885 -8.357 5.074) 11.957 11.143 ( 3.355 1.712 0.200) 3.772 11.293 ( 5.674 0.950 -3.006) 6.491 11.552 ( 0.945 3.408 -4.063) 5.387 11.662 ( 1.707 -1.534 5.509) 5.968 11.710 ( -1.590 2.031 4.546) 5.227 11.765 ( 1.319 3.895 -2.433) 4.778 11.899 ( -4.368 3.666 2.700) 6.309 12.303 ( 2.212 -5.856 0.998) 6.339 12.430 ( 0.801 -2.845 4.442) 5.335 12.585 ( 3.729 -1.891 -2.940) 5.111 12.952 ( 1.167 0.627 -1.602) 2.079 13.124 ( 6.427 -0.916 2.061) 6.811 13.259 ( 0.498 3.680 -0.895) 3.820 13.410 ( -0.000 -2.350 -2.050) 3.119 13.596 ( -6.183 -0.385 0.779) 6.244 13.619 ( -5.879 -0.387 0.490) 5.912 14.645 ( -1.305 0.198 -1.346) 1.885 14.727 ( 0.708 -0.413 -0.217) 0.848 15.274 ( 2.038 2.007 -10.635) 11.013 15.380 ( 2.033 -1.849 9.928) 10.301 15.755 ( -1.657 -0.755 -0.166) 1.829 15.763 ( -1.467 -0.326 -1.655) 2.235 16.037 ( 1.266 5.090 2.970) 6.028 16.384 ( 3.083 -4.612 -2.026) 5.906 16.461 ( -3.512 4.033 0.356) 5.360 16.654 ( -3.038 0.964 -0.276) 3.199 16.686 ( -4.891 -3.695 -0.108) 6.131 16.866 ( -1.325 9.897 0.240) 9.989 17.248 ( 6.778 -4.457 -0.227) 8.115 17.400 ( -1.069 -5.349 -0.167) 5.458 17.721 ( 11.279 0.740 -5.492) 12.567 17.796 ( 10.004 -0.514 5.779) 11.565 18.220 ( -11.291 1.781 -6.655) 13.227 18.308 ( -10.990 -2.022 6.630) 12.993 19.054 ( -4.594 0.934 -0.418) 4.706 19.282 ( 6.190 4.075 3.330) 8.125 19.420 ( 0.911 -0.545 -0.483) 1.166 19.516 ( 5.751 -0.821 -1.536) 6.009 19.906 ( -3.294 -1.906 0.972) 3.928 20.045 ( 0.063 0.212 -4.745) 4.750 23.321 ( 4.163 1.161 -5.508) 7.001 23.445 ( 4.981 -2.546 6.458) 8.544 23.923 ( -14.932 1.067 -6.013) 16.132 24.130 ( -10.581 0.389 8.747) 13.734 25.035 ( 11.712 -0.334 -5.104) 12.781 25.061 ( 12.272 -0.175 3.182) 12.679 25.448 ( -5.007 0.864 -1.906) 5.427 25.483 ( -2.506 -0.026 -0.572) 2.570 25.899 ( -6.594 0.767 -1.977) 6.927 26.180 ( -0.778 0.466 0.753) 1.179 26.281 ( 2.121 -0.223 -0.743) 2.258 26.295 ( 0.521 -0.859 0.432) 1.094 29.782 ( -0.091 6.968 0.979) 7.037 30.414 ( 0.194 -25.173 -1.039) 25.195 31.986 ( 0.356 18.279 -0.186) 18.283 32.013 ( -0.653 3.351 0.071) 3.415 32.057 ( 0.379 2.009 -2.092) 2.925 32.089 ( -1.204 0.444 0.220) 1.302 32.273 ( 1.926 14.370 3.849) 15.001 33.413 ( 0.373 -20.693 -1.302) 20.737 35.535 ( 0.399 0.516 -2.290) 2.381 35.603 ( 0.609 0.113 0.812) 1.021 36.010 ( 0.389 0.990 1.980) 2.248 36.213 ( 1.557 -2.771 7.223) 7.891 ======================= Grid point 13 (12/69) ======================= q-point: (-0.04 -0.34 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 1.024 11.088 -13.250) 17.307 2.736 ( 8.754 20.624 -9.534) 24.349 3.233 ( -13.747 -4.663 5.818) 15.639 3.389 ( -5.018 -1.857 -5.664) 7.792 3.683 ( 2.566 -11.226 -2.009) 11.689 3.901 ( 7.036 -10.880 -3.039) 13.309 4.236 ( -5.865 6.222 -3.796) 9.355 4.351 ( -5.999 5.454 -9.553) 12.530 4.456 ( 5.315 2.430 -4.967) 7.669 4.634 ( 1.149 -0.590 -9.251) 9.341 4.886 ( -4.140 -3.589 6.706) 8.659 4.970 ( 0.867 -5.414 -14.577) 15.574 5.070 ( 3.313 -15.912 6.898) 17.657 5.228 ( 5.949 3.665 11.957) 13.849 5.330 ( -1.123 -5.006 9.164) 10.503 5.534 ( 4.692 8.767 8.745) 13.242 5.714 ( -5.768 3.970 0.414) 7.015 6.050 ( -6.550 5.496 5.405) 10.115 6.320 ( 1.039 10.973 -5.741) 12.427 6.518 ( -1.242 -13.544 0.216) 13.603 6.630 ( 4.265 -4.596 -2.566) 6.775 6.767 ( 2.217 0.739 1.178) 2.617 6.892 ( 1.685 14.891 -3.922) 15.490 7.077 ( 5.452 1.265 -3.369) 6.532 7.168 ( 5.814 -3.153 -0.268) 6.619 7.322 ( -1.886 -3.087 -3.666) 5.150 7.438 ( 1.457 -1.975 -4.856) 5.441 7.522 ( 3.705 1.937 -1.542) 4.456 8.129 ( -7.498 9.366 -0.071) 11.997 8.224 ( -11.479 -3.183 -4.759) 12.828 8.302 ( 1.818 -10.673 -13.884) 17.606 8.385 ( -2.511 2.064 -18.642) 18.923 8.522 ( -1.637 0.231 -14.574) 14.667 8.675 ( -2.973 1.124 -10.030) 10.522 8.860 ( 0.792 -3.626 -9.957) 10.626 8.900 ( 9.924 -5.869 0.715) 11.552 9.018 ( -2.219 6.892 -4.285) 8.413 9.407 ( -2.848 3.260 -2.631) 5.066 9.491 ( 1.774 1.227 -2.307) 3.158 9.593 ( -0.761 1.292 3.051) 3.399 9.866 ( 8.321 7.633 -3.451) 11.807 10.040 ( 0.667 -6.134 -1.819) 6.432 10.058 ( -1.501 2.613 -0.074) 3.014 10.217 ( 3.336 -8.333 4.084) 9.861 11.184 ( -2.953 -1.943 1.109) 3.704 11.280 ( -4.859 3.792 -1.824) 6.428 11.631 ( 0.096 1.436 7.353) 7.492 11.770 ( -0.332 -2.794 10.747) 11.109 11.807 ( 0.441 1.064 4.664) 4.804 11.911 ( -0.525 -0.473 8.570) 8.599 12.075 ( 1.689 -10.422 2.167) 10.778 12.221 ( 1.325 5.705 10.321) 11.867 12.381 ( -0.033 -5.774 -2.641) 6.349 12.614 ( -6.152 2.409 4.486) 7.987 12.984 ( -1.103 1.448 3.045) 3.547 13.195 ( -5.573 -0.620 6.843) 8.847 13.316 ( 1.237 -0.698 -0.407) 1.478 13.381 ( 1.576 2.438 2.630) 3.917 13.593 ( 2.785 -0.175 0.013) 2.790 13.624 ( 3.811 -0.962 1.443) 4.187 14.650 ( 1.199 1.462 0.307) 1.915 14.718 ( -0.232 0.201 -0.463) 0.555 15.084 ( 2.645 3.098 -12.166) 12.830 15.421 ( -7.250 -1.417 -1.434) 7.525 15.675 ( 5.654 -0.910 -0.549) 5.753 15.870 ( -1.294 1.823 3.972) 4.558 16.104 ( 1.277 -4.870 -0.725) 5.087 16.283 ( -5.894 3.981 -1.776) 7.330 16.530 ( 4.369 -2.914 -3.893) 6.537 16.570 ( 5.151 2.756 -1.569) 6.049 16.669 ( 1.750 0.719 -1.055) 2.166 17.057 ( -0.488 -11.754 -1.986) 11.930 17.092 ( -2.167 11.742 -0.390) 11.947 17.343 ( -1.538 -0.244 0.156) 1.565 17.640 ( -8.087 1.575 -4.761) 9.516 17.893 ( -10.397 -1.626 6.067) 12.147 18.120 ( 11.387 2.184 -7.599) 13.863 18.374 ( 8.193 -2.504 4.740) 9.791 19.068 ( 5.604 0.518 0.267) 5.634 19.293 ( -4.880 -4.373 -3.378) 7.372 19.434 ( -4.576 -1.954 -1.685) 5.253 19.500 ( -5.606 4.492 2.522) 7.614 19.823 ( 6.552 0.756 -4.865) 8.196 20.083 ( -2.077 3.871 2.571) 5.090 23.261 ( -0.104 2.651 -4.350) 5.096 23.505 ( -7.954 -3.198 5.601) 10.240 23.838 ( 12.208 1.649 -6.152) 13.769 24.246 ( 10.675 -5.478 7.662) 14.236 24.918 ( -13.233 1.676 -6.290) 14.747 25.156 ( -8.641 0.617 4.982) 9.994 25.432 ( 5.156 2.114 -2.873) 6.269 25.469 ( 2.505 0.444 -1.185) 2.807 25.920 ( 7.696 1.985 1.301) 8.054 26.172 ( -0.738 -0.875 -0.645) 1.314 26.287 ( -1.113 1.063 0.325) 1.572 26.350 ( -0.151 -0.197 6.118) 6.123 29.972 ( 0.630 -8.032 0.385) 8.066 30.035 ( -0.880 8.026 -0.656) 8.101 32.096 ( 0.716 0.102 8.315) 8.346 32.140 ( -0.357 1.618 8.859) 9.013 32.177 ( 0.462 -0.789 10.200) 10.241 32.224 ( -0.520 0.155 9.358) 9.374 32.851 ( 0.098 -33.653 -0.347) 33.655 32.924 ( -1.733 32.146 4.410) 32.493 35.347 ( 0.255 2.794 -19.342) 19.544 35.416 ( -1.316 -1.399 -18.749) 18.847 35.830 ( 1.243 -1.724 -19.409) 19.525 36.035 ( -4.281 -8.420 -14.632) 17.416 ======================= Grid point 14 (13/69) ======================= q-point: (-0.04 -0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 27.808 19.588 -17.323) 38.171 1.489 ( 15.409 33.289 -23.645) 43.642 2.090 ( 26.342 28.969 -42.687) 57.924 2.946 ( -2.051 -10.909 -32.243) 34.100 3.439 ( -4.474 1.782 -21.168) 21.709 3.621 ( -3.277 3.080 -20.816) 21.296 3.808 ( -9.254 -17.071 -11.845) 22.745 4.188 ( 6.126 -9.012 10.559) 15.174 4.439 ( -6.249 -6.454 2.406) 9.300 4.460 ( -6.419 -0.490 9.503) 11.478 4.682 ( -10.220 -0.157 -8.201) 13.104 4.910 ( 0.577 -15.733 0.064) 15.744 5.206 ( -5.869 13.083 -5.697) 15.429 5.561 ( 4.591 17.332 7.556) 19.456 5.719 ( 0.564 -11.108 4.361) 11.947 5.863 ( 6.484 -2.323 13.895) 15.508 5.995 ( 0.866 14.017 5.798) 15.193 6.251 ( 4.920 11.821 1.740) 12.922 6.354 ( -4.014 4.475 0.300) 6.019 6.465 ( 2.266 -5.427 3.295) 6.742 6.571 ( 4.078 -4.163 0.277) 5.834 6.771 ( -1.689 -5.038 3.138) 6.171 6.882 ( 7.126 -5.383 -0.495) 8.944 6.960 ( 5.388 -1.421 0.970) 5.656 7.095 ( -2.296 0.123 5.811) 6.249 7.146 ( -0.817 2.977 8.850) 9.373 7.335 ( -1.970 -14.368 -7.448) 16.303 7.427 ( -3.253 -4.182 -20.556) 21.228 7.570 ( 0.596 7.757 -5.131) 9.319 7.629 ( -0.733 -1.741 -17.221) 17.324 7.875 ( 6.964 -1.285 2.587) 7.540 8.010 ( -3.088 -4.339 -8.980) 10.440 8.242 ( -4.813 4.150 -14.056) 15.426 8.253 ( -4.335 12.149 -2.283) 13.100 8.469 ( 0.574 -10.124 -1.523) 10.254 8.792 ( -9.428 1.122 2.808) 9.901 9.048 ( -5.765 2.499 -5.536) 8.375 9.186 ( 8.589 3.685 -4.161) 10.231 9.387 ( 4.166 -4.469 -0.076) 6.110 9.522 ( 5.335 7.446 -2.333) 9.452 9.681 ( 3.575 0.595 0.638) 3.680 9.874 ( -1.366 5.949 -1.115) 6.205 10.133 ( 1.460 -8.459 -0.969) 8.639 10.625 ( -7.055 -8.018 4.378) 11.543 11.141 ( -0.613 -0.903 -1.722) 2.039 11.310 ( -2.335 1.702 3.903) 4.856 11.547 ( -1.626 7.286 -4.172) 8.552 12.110 ( -0.295 -0.390 5.973) 5.993 12.204 ( 2.551 0.444 6.230) 6.747 12.277 ( 4.010 -5.110 4.853) 8.108 12.351 ( -3.144 -7.495 1.723) 8.308 12.523 ( -2.414 -2.921 3.329) 5.044 12.640 ( 2.097 -2.175 7.022) 7.645 12.788 ( -3.648 1.247 4.237) 5.728 13.120 ( -3.341 5.888 2.584) 7.246 13.188 ( -0.441 0.705 -3.004) 3.117 13.299 ( 5.764 1.383 0.434) 5.944 13.577 ( -4.376 2.510 3.461) 6.118 13.721 ( -3.440 -0.294 3.762) 5.106 13.899 ( -3.070 -7.005 3.838) 8.557 14.671 ( 2.373 -0.669 2.574) 3.565 14.701 ( 3.050 -1.979 1.087) 3.795 14.911 ( 8.781 3.006 7.153) 11.718 15.470 ( -3.754 -0.479 7.881) 8.743 15.720 ( 4.002 -4.031 -0.508) 5.703 15.780 ( -4.827 4.719 -1.164) 6.850 15.974 ( -0.582 7.388 -9.437) 11.999 16.185 ( 0.166 -0.801 -4.471) 4.546 16.224 ( -0.178 -0.815 -4.590) 4.665 16.349 ( 2.348 -2.384 -9.704) 10.265 16.595 ( 8.116 0.809 -0.235) 8.160 16.847 ( -0.045 8.912 -0.284) 8.917 17.156 ( -2.516 -10.096 -4.895) 11.499 17.353 ( -9.202 0.715 -0.134) 9.230 17.560 ( 4.279 0.666 2.059) 4.795 17.747 ( 9.460 0.658 -6.774) 11.653 18.201 ( -8.228 -2.793 5.317) 10.187 18.524 ( -5.656 -2.634 0.230) 6.243 19.042 ( 7.390 1.809 -0.162) 7.610 19.189 ( 0.578 -3.857 -3.766) 5.421 19.386 ( 2.711 -2.829 -2.254) 4.520 19.496 ( 2.441 3.036 -1.581) 4.205 19.616 ( -4.774 12.370 3.786) 13.789 20.012 ( -8.169 8.354 0.880) 11.717 23.176 ( 7.566 0.457 3.346) 8.285 23.468 ( 6.204 -2.923 -6.826) 9.676 23.998 ( -11.671 -2.808 8.283) 14.584 24.437 ( -14.845 -4.771 -6.420) 16.863 24.843 ( 9.667 0.779 7.136) 12.041 25.169 ( 7.792 2.609 -6.546) 10.506 25.272 ( -0.347 2.126 1.995) 2.936 25.379 ( 1.016 0.990 -1.668) 2.190 25.982 ( 5.359 6.395 4.202) 9.342 26.204 ( -3.253 -1.024 0.486) 3.445 26.434 ( 28.241 -15.652 14.005) 35.195 26.548 ( 0.384 1.131 2.711) 2.962 29.778 ( -1.211 6.206 -2.433) 6.775 30.382 ( -0.415 -20.755 1.656) 20.826 32.205 ( -2.897 41.643 12.716) 43.637 32.658 ( 1.269 0.914 19.584) 19.646 32.854 ( -0.506 6.754 29.767) 30.528 33.006 ( -5.343 1.810 12.826) 14.011 33.085 ( -0.017 -2.791 31.790) 31.912 33.391 ( 1.635 -20.381 -0.081) 20.447 34.095 ( 0.397 1.949 -32.777) 32.837 34.292 ( -0.502 -3.114 -34.490) 34.634 34.645 ( -0.534 -2.416 -38.708) 38.787 35.108 ( -29.981 -18.633 -58.532) 68.352 ======================= Grid point 15 (14/69) ======================= q-point: (-0.04 0.16 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 23.977 0.000 19.126) 30.671 1.226 ( 35.039 0.000 22.833) 41.822 1.863 ( 31.091 0.000 57.198) 65.102 3.080 ( -0.425 -0.000 33.551) 33.553 3.408 ( -0.424 -0.000 23.678) 23.682 3.542 ( -5.577 -0.000 20.769) 21.505 4.036 ( -16.770 -0.000 9.329) 19.190 4.306 ( -10.458 -0.000 -14.403) 17.799 4.312 ( 3.546 0.000 -20.045) 20.356 4.639 ( 4.746 0.000 4.545) 6.571 4.657 ( -12.153 -0.000 11.807) 16.944 5.060 ( 1.456 0.000 -6.374) 6.538 5.125 ( -3.807 -0.000 10.788) 11.440 5.338 ( 0.159 0.000 -4.531) 4.534 5.783 ( -0.213 0.000 -7.526) 7.529 5.818 ( 0.918 0.000 -9.786) 9.829 6.018 ( 12.844 0.000 -11.738) 17.400 6.072 ( 2.814 0.000 2.673) 3.881 6.289 ( -3.883 -0.000 1.929) 4.336 6.547 ( 1.362 0.000 2.053) 2.464 6.608 ( 2.331 0.000 -4.024) 4.650 6.822 ( 3.660 0.000 0.118) 3.662 6.902 ( -1.558 -0.000 1.482) 2.150 7.034 ( 2.631 0.000 -11.875) 12.163 7.040 ( 4.917 0.000 -4.279) 6.518 7.208 ( -1.266 -0.000 -10.012) 10.092 7.339 ( 0.687 -0.000 8.603) 8.630 7.497 ( -4.186 -0.000 18.249) 18.723 7.508 ( 5.929 0.000 12.838) 14.141 7.694 ( -6.097 -0.000 12.251) 13.684 7.935 ( 5.889 0.000 -0.907) 5.959 8.050 ( -6.693 -0.000 -6.417) 9.272 8.142 ( -9.918 -0.000 16.101) 18.910 8.167 ( 5.312 0.000 9.667) 11.030 8.545 ( 0.007 0.000 -1.112) 1.112 8.740 ( -1.999 -0.000 -4.715) 5.122 9.066 ( -12.849 -0.000 8.939) 15.652 9.157 ( 9.235 0.000 7.683) 12.013 9.362 ( 3.064 0.000 0.965) 3.212 9.492 ( 5.831 0.000 -1.213) 5.956 9.721 ( 15.050 0.000 2.347) 15.231 9.791 ( -11.006 -0.000 -1.531) 11.112 10.218 ( 1.144 0.000 0.366) 1.201 10.683 ( -6.078 -0.000 -2.653) 6.632 11.163 ( 1.254 0.000 1.454) 1.920 11.272 ( -3.664 -0.000 -4.846) 6.075 11.480 ( -3.096 -0.000 5.550) 6.355 12.108 ( 0.432 0.000 -7.389) 7.402 12.192 ( 3.335 0.000 -6.148) 6.994 12.334 ( 1.916 0.000 -5.700) 6.014 12.417 ( -3.869 -0.000 0.252) 3.878 12.555 ( -1.340 -0.000 -2.606) 2.930 12.663 ( 1.085 0.000 -7.648) 7.724 12.774 ( -3.261 -0.000 -4.206) 5.322 13.050 ( -3.606 -0.000 -0.407) 3.629 13.186 ( 0.192 -0.000 3.190) 3.196 13.286 ( 6.187 0.000 -1.396) 6.342 13.550 ( -2.937 -0.000 -2.692) 3.983 13.725 ( -4.309 -0.000 -3.442) 5.515 13.977 ( -5.887 -0.000 -3.420) 6.808 14.682 ( 1.203 0.000 -2.328) 2.620 14.741 ( 4.564 0.000 -5.658) 7.269 14.876 ( 9.359 0.000 -7.689) 12.113 15.477 ( -3.461 -0.000 -8.507) 9.184 15.727 ( -5.379 -0.000 2.659) 6.001 15.764 ( 4.372 0.000 0.003) 4.372 15.897 ( -0.113 -0.000 10.729) 10.729 16.166 ( 0.425 0.000 4.770) 4.789 16.248 ( -1.028 -0.000 5.274) 5.373 16.378 ( 2.282 0.000 6.547) 6.933 16.583 ( 10.947 0.000 0.738) 10.972 16.766 ( -1.253 -0.000 0.551) 1.369 17.282 ( -3.892 -0.000 6.721) 7.767 17.333 ( -11.471 -0.000 -0.653) 11.489 17.552 ( 4.096 0.000 -2.157) 4.629 17.740 ( 8.965 0.000 6.681) 11.180 18.247 ( -8.188 -0.000 -7.670) 11.219 18.551 ( -5.305 -0.000 -0.669) 5.347 19.022 ( 7.827 0.000 0.205) 7.829 19.228 ( 0.226 -0.000 4.198) 4.204 19.350 ( -2.966 -0.000 -1.037) 3.142 19.420 ( -0.663 -0.000 0.236) 0.703 19.518 ( 12.140 0.000 7.752) 14.404 19.929 ( -4.679 -0.000 1.388) 4.881 23.173 ( 7.158 0.000 -4.439) 8.423 23.511 ( 5.571 0.000 5.502) 7.830 24.020 ( -13.163 -0.000 -8.975) 15.932 24.482 ( -16.355 -0.000 7.065) 17.816 24.839 ( 10.092 0.000 -7.875) 12.801 25.142 ( 9.688 0.000 6.882) 11.883 25.249 ( 0.593 0.000 -1.674) 1.776 25.370 ( 1.080 0.000 1.601) 1.931 25.907 ( 4.941 0.000 -2.025) 5.340 26.214 ( -3.336 -0.000 -0.634) 3.395 26.522 ( -0.291 0.000 -4.163) 4.173 26.693 ( 35.100 0.000 -38.883) 52.383 29.733 ( -2.815 -0.000 1.599) 3.237 30.693 ( 1.499 0.000 0.941) 1.770 31.584 ( -0.287 -0.000 -0.154) 0.326 32.649 ( 1.307 0.000 -19.455) 19.499 32.785 ( 0.584 0.000 -25.872) 25.878 32.998 ( -5.032 -0.000 -12.899) 13.846 33.113 ( 0.042 0.000 -32.592) 32.592 33.590 ( 1.620 0.000 0.170) 1.629 34.076 ( 0.410 -0.000 32.464) 32.467 34.323 ( 0.027 -0.000 33.403) 33.403 34.668 ( -1.067 -0.000 38.742) 38.756 35.358 ( -54.394 -0.000 63.042) 83.264 ======================= Grid point 16 (15/69) ======================= q-point: (-0.04 0.41 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -1.657 -8.429 16.832) 18.897 2.286 ( 6.793 -24.233 29.208) 38.555 3.348 ( -8.064 6.373 -7.068) 12.474 3.452 ( 6.889 6.108 -7.663) 11.979 3.728 ( 9.392 0.440 10.439) 14.049 4.110 ( -9.540 -5.472 10.871) 15.464 4.139 ( -2.394 -8.328 8.080) 11.848 4.283 ( -1.877 2.605 -9.357) 9.893 4.341 ( 1.807 2.802 4.463) 5.570 4.620 ( -6.428 -0.149 -1.180) 6.537 4.884 ( -1.630 -2.296 -10.610) 10.977 5.066 ( 1.020 2.678 6.850) 7.426 5.128 ( 4.919 -4.185 -4.541) 7.895 5.243 ( -0.483 1.577 0.632) 1.766 5.422 ( 1.364 3.169 -5.290) 6.316 5.692 ( -0.054 18.611 -3.544) 18.945 5.726 ( 2.100 -1.014 -2.844) 3.678 5.892 ( -8.484 -3.787 -0.160) 9.292 6.145 ( 3.600 -2.954 0.215) 4.662 6.511 ( -3.899 -15.308 0.845) 15.820 6.601 ( -2.773 -1.628 1.773) 3.672 6.809 ( 5.143 5.494 3.881) 8.467 6.936 ( 11.877 1.036 1.186) 11.981 7.000 ( 2.506 5.975 0.807) 6.529 7.257 ( 6.109 4.200 7.253) 10.371 7.302 ( 1.187 -3.727 5.010) 6.356 7.569 ( 4.524 4.772 -1.470) 6.738 7.653 ( -4.207 16.323 2.329) 17.017 7.868 ( -2.603 -12.899 2.360) 13.369 8.199 ( -6.361 -7.171 11.822) 15.220 8.285 ( -2.961 -4.752 14.592) 15.629 8.480 ( -2.967 -2.165 2.334) 4.351 8.536 ( -0.793 6.156 11.656) 13.205 8.604 ( -3.804 -3.261 17.021) 17.743 8.810 ( -4.639 -8.525 5.201) 11.012 8.927 ( 5.008 3.739 7.800) 9.995 9.084 ( 4.148 7.037 -1.279) 8.268 9.427 ( -1.289 -4.931 0.981) 5.191 9.446 ( 0.176 4.572 6.417) 7.881 9.615 ( 1.911 2.992 -0.723) 3.623 9.717 ( 3.933 -4.240 5.108) 7.716 9.954 ( -0.334 -7.146 2.970) 7.746 10.177 ( -0.212 6.294 -1.224) 6.416 10.405 ( 5.583 8.788 -6.304) 12.171 11.171 ( -3.024 -3.655 -2.200) 5.229 11.240 ( -4.623 0.032 2.474) 5.243 11.604 ( -0.030 -1.266 -8.613) 8.706 11.727 ( -1.097 -5.566 1.403) 5.844 11.816 ( -0.797 1.869 -11.368) 11.549 11.887 ( 0.380 -1.714 -11.372) 11.507 12.111 ( 1.577 -0.682 -15.669) 15.763 12.326 ( -2.221 8.137 -1.772) 8.619 12.495 ( 0.189 5.348 -0.142) 5.354 12.576 ( -6.080 -1.221 -3.809) 7.278 12.954 ( -2.107 -1.496 -2.042) 3.293 13.187 ( -0.069 -1.001 -3.187) 3.341 13.323 ( 3.878 0.199 -3.932) 5.526 13.362 ( -4.954 0.071 -1.818) 5.277 13.590 ( 2.287 -0.252 1.525) 2.760 13.656 ( 4.606 1.729 -3.330) 5.941 14.625 ( 1.760 -1.017 0.546) 2.105 14.719 ( -0.160 0.260 0.569) 0.646 15.028 ( 3.026 -2.500 12.403) 13.009 15.445 ( -6.455 0.975 3.452) 7.385 15.696 ( 5.731 1.013 -1.606) 6.037 15.843 ( -1.481 -0.920 -1.713) 2.444 16.083 ( -2.607 -4.206 -1.726) 5.241 16.322 ( -1.931 4.909 3.717) 6.453 16.441 ( 4.407 -4.654 2.668) 6.942 16.637 ( 3.833 -0.757 1.760) 4.285 16.661 ( 2.846 3.623 2.711) 5.345 16.864 ( 0.917 -10.261 0.331) 10.307 17.244 ( -6.431 6.214 0.287) 8.947 17.386 ( 0.120 4.017 1.137) 4.177 17.611 ( -7.324 -1.311 4.719) 8.810 17.926 ( -9.641 1.820 -6.171) 11.590 18.079 ( 10.707 -2.049 7.128) 13.025 18.419 ( 7.640 1.976 -4.771) 9.222 19.048 ( 5.615 -1.261 0.183) 5.758 19.339 ( -4.852 -2.358 -2.392) 5.901 19.403 ( -3.566 -0.757 1.377) 3.897 19.472 ( -5.627 0.735 2.598) 6.241 19.840 ( 6.928 2.266 6.966) 10.082 20.009 ( -1.265 -3.707 -0.255) 3.925 23.221 ( -0.491 -1.485 4.281) 4.557 23.580 ( -6.478 4.450 -5.904) 9.830 23.794 ( 10.337 -3.053 4.841) 11.816 24.331 ( 10.725 3.204 -10.252) 15.178 24.892 ( -13.507 -0.895 7.503) 15.477 25.149 ( -7.043 -0.163 -4.026) 8.114 25.390 ( 6.382 -1.972 3.985) 7.778 25.459 ( 1.619 -0.513 1.746) 2.436 25.877 ( 7.335 -2.153 0.053) 7.644 26.184 ( -0.687 0.370 -0.087) 0.786 26.258 ( 0.275 -1.258 0.256) 1.313 26.373 ( -0.530 1.411 -5.327) 5.536 29.797 ( -0.458 -6.903 -0.579) 6.942 30.391 ( 0.271 24.722 1.154) 24.751 32.011 ( 0.169 -27.660 -2.008) 27.733 32.091 ( 1.011 -0.643 -7.866) 7.957 32.107 ( -0.020 -1.895 -7.741) 7.969 32.198 ( 0.523 0.795 -11.214) 11.254 32.431 ( -3.407 -8.845 -12.115) 15.382 33.398 ( 0.186 20.673 0.410) 20.678 35.302 ( 0.255 -1.728 20.855) 20.928 35.433 ( -0.308 0.423 17.649) 17.656 35.854 ( -0.912 0.910 17.534) 17.581 36.215 ( -7.811 8.775 7.292) 13.827 ======================= Grid point 17 (16/69) ======================= q-point: (-0.05 -0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 103 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 7.942 0.000 -7.925) 11.220 2.504 ( 4.364 0.000 -5.924) 7.358 3.381 ( -10.304 -0.000 -10.090) 14.421 3.615 ( 8.598 0.000 15.951) 18.121 3.628 ( -5.275 -0.000 5.139) 7.365 4.014 ( -4.822 -0.000 8.305) 9.603 4.116 ( -2.861 -0.000 -0.820) 2.976 4.221 ( 4.398 0.000 -3.725) 5.764 4.279 ( -0.328 0.000 -9.061) 9.067 4.482 ( 4.270 0.000 6.190) 7.520 4.869 ( 1.897 0.000 -4.701) 5.070 5.073 ( -2.197 -0.000 4.458) 4.970 5.090 ( 0.960 0.000 -0.766) 1.229 5.215 ( -2.386 -0.000 1.804) 2.991 5.597 ( -1.583 -0.000 1.317) 2.060 5.630 ( 4.909 0.000 -4.305) 6.529 5.829 ( -8.335 -0.000 3.471) 9.029 5.969 ( 0.697 0.000 -2.176) 2.285 6.092 ( 10.218 0.000 -0.552) 10.233 6.293 ( -1.376 -0.000 -0.990) 1.695 6.520 ( 2.534 0.000 -1.398) 2.894 7.030 ( -5.326 -0.000 -1.835) 5.634 7.122 ( -7.108 -0.000 -0.107) 7.109 7.228 ( -3.225 -0.000 -0.733) 3.307 7.371 ( -0.463 -0.000 -1.731) 1.792 7.486 ( -3.736 -0.000 2.202) 4.336 7.574 ( -0.184 -0.000 -0.757) 0.779 7.667 ( 4.637 0.000 4.136) 6.214 7.848 ( 2.704 0.000 -3.605) 4.506 8.059 ( 1.053 0.000 2.185) 2.425 8.312 ( 2.895 0.000 4.373) 5.245 8.389 ( 2.180 0.000 -3.812) 4.391 8.669 ( 0.775 0.000 2.267) 2.396 8.781 ( 1.243 0.000 -2.390) 2.694 8.843 ( 1.237 0.000 -1.382) 1.855 9.095 ( -3.210 -0.000 2.417) 4.019 9.149 ( -2.042 -0.000 -0.619) 2.134 9.324 ( 1.575 0.000 -0.305) 1.604 9.671 ( -3.540 -0.000 0.707) 3.609 9.694 ( 2.812 0.000 -2.360) 3.671 9.733 ( -0.001 0.000 -1.311) 1.311 10.034 ( -2.511 -0.000 -5.283) 5.850 10.130 ( 0.249 -0.000 5.994) 6.000 10.535 ( -6.401 -0.000 3.554) 7.321 11.061 ( 2.485 0.000 -1.434) 2.869 11.153 ( 5.141 0.000 -1.135) 5.265 11.511 ( -0.391 -0.000 -1.365) 1.420 11.634 ( 1.526 0.000 2.396) 2.840 11.700 ( -0.472 -0.000 1.134) 1.229 11.710 ( 0.048 0.000 0.090) 0.102 11.953 ( -2.069 -0.000 0.852) 2.237 12.253 ( 2.299 0.000 2.041) 3.075 12.494 ( -0.012 -0.000 0.382) 0.382 12.562 ( 1.512 0.000 -1.157) 1.903 12.892 ( 2.650 0.000 -1.700) 3.148 13.080 ( 2.269 0.000 2.260) 3.203 13.187 ( -0.580 -0.000 -0.003) 0.580 13.460 ( -1.247 -0.000 -1.740) 2.140 13.685 ( -2.422 -0.000 0.042) 2.422 13.711 ( -2.470 -0.000 0.761) 2.585 14.674 ( -1.645 -0.000 -1.101) 1.979 14.709 ( 1.322 0.000 0.242) 1.344 15.214 ( 1.329 0.000 -4.032) 4.245 15.367 ( 1.090 0.000 3.675) 3.833 15.793 ( -0.918 -0.000 1.949) 2.154 15.794 ( -0.991 -0.000 -2.798) 2.969 15.954 ( 0.948 0.000 0.760) 1.215 16.380 ( 2.298 0.000 -0.533) 2.359 16.470 ( -2.349 -0.000 0.572) 2.418 16.733 ( -0.276 -0.000 0.886) 0.928 16.824 ( -11.518 -0.000 0.250) 11.520 16.837 ( -2.711 -0.000 -1.604) 3.150 17.077 ( 12.865 0.000 -0.413) 12.872 17.471 ( -0.227 -0.000 -0.087) 0.243 17.575 ( 3.538 0.000 -2.626) 4.406 17.646 ( 4.807 0.000 3.362) 5.866 18.377 ( -5.605 -0.000 -3.392) 6.551 18.499 ( -5.350 -0.000 2.740) 6.011 19.040 ( 3.075 0.000 1.347) 3.357 19.226 ( -4.048 -0.000 1.263) 4.240 19.403 ( 3.074 0.000 -1.105) 3.266 19.429 ( 3.122 0.000 -0.931) 3.258 19.939 ( -0.367 -0.000 1.013) 1.078 20.055 ( -0.425 -0.000 -2.707) 2.741 23.242 ( 1.861 0.000 -1.964) 2.706 23.414 ( 1.717 0.000 2.766) 3.256 24.164 ( -10.219 -0.000 -6.206) 11.956 24.385 ( -12.932 -0.000 9.821) 16.239 24.781 ( 12.662 0.000 -7.988) 14.971 24.841 ( 9.204 0.000 5.072) 10.509 25.507 ( -0.503 -0.000 -0.702) 0.863 25.509 ( -1.887 -0.000 -0.868) 2.077 26.037 ( -7.480 -0.000 -2.673) 7.943 26.166 ( 2.435 0.000 2.764) 3.684 26.229 ( 2.362 0.000 -1.740) 2.934 26.306 ( -0.107 -0.000 0.634) 0.643 29.720 ( -0.051 -0.000 0.421) 0.424 30.780 ( 0.084 0.000 -0.621) 0.627 31.564 ( 0.021 0.000 0.114) 0.116 32.016 ( -0.665 -0.000 0.765) 1.014 32.034 ( 0.622 0.000 -1.564) 1.683 32.119 ( -1.942 -0.000 -0.517) 2.009 32.166 ( 2.518 0.000 2.146) 3.308 33.609 ( 0.198 0.000 -0.483) 0.522 35.516 ( 0.399 0.000 -0.940) 1.021 35.605 ( -0.095 -0.000 0.145) 0.173 35.972 ( 0.998 0.000 1.509) 1.809 36.225 ( 0.617 0.000 3.308) 3.365 ======================= Grid point 18 (17/69) ======================= q-point: (-0.05 -0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -14.917 -29.685 -16.861) 37.256 2.235 ( -27.411 -13.164 -3.635) 30.625 3.183 ( 3.212 10.621 -16.739) 20.083 3.303 ( 13.188 16.754 -10.011) 23.555 3.550 ( -1.938 -1.357 -25.310) 25.421 3.927 ( -1.184 -4.540 -3.170) 5.663 3.966 ( -3.797 -7.876 -9.676) 13.041 4.148 ( 1.188 -9.990 -1.291) 10.143 4.316 ( 13.410 9.491 -2.456) 16.612 4.456 ( -4.326 2.645 -15.509) 16.316 4.692 ( 10.992 4.495 -15.248) 19.327 4.975 ( 2.033 10.201 -7.374) 12.750 5.118 ( 3.406 -9.995 4.538) 11.493 5.361 ( 0.900 -8.724 11.977) 14.844 5.639 ( -2.016 6.387 3.082) 7.372 5.735 ( -8.154 5.687 16.356) 19.140 5.872 ( -0.045 -11.426 8.275) 14.107 6.073 ( -1.841 2.863 7.129) 7.900 6.271 ( 4.139 5.102 12.696) 14.295 6.378 ( 1.513 -12.321 -2.622) 12.688 6.596 ( -0.699 0.309 3.305) 3.392 6.842 ( -7.125 0.248 -3.263) 7.841 7.024 ( -3.639 13.389 -1.208) 13.927 7.120 ( -5.501 -4.421 -7.123) 10.027 7.189 ( -6.142 -0.515 -7.741) 9.895 7.253 ( -5.409 3.576 -4.829) 8.084 7.437 ( 3.909 14.586 -10.459) 18.369 7.664 ( 7.181 -3.576 -10.313) 13.066 7.800 ( -3.058 3.589 0.082) 4.716 7.831 ( 1.806 0.826 -11.701) 11.869 7.909 ( 6.387 -7.588 -5.156) 11.179 8.071 ( 0.349 -6.758 -20.017) 21.130 8.301 ( 3.718 -1.697 -10.800) 11.548 8.356 ( 3.425 1.810 -6.773) 7.803 8.643 ( 0.816 -6.433 -4.973) 8.171 8.785 ( -4.008 7.568 -13.631) 16.098 9.043 ( 6.115 -3.660 -5.281) 8.870 9.410 ( -0.348 -3.164 0.728) 3.265 9.433 ( -8.053 8.651 -0.834) 11.848 9.607 ( 3.075 -0.021 -3.104) 4.369 9.703 ( -5.210 -9.945 -3.824) 11.860 9.980 ( -5.079 -4.860 0.913) 7.089 10.166 ( -0.018 7.191 -0.428) 7.204 10.452 ( 8.078 8.642 -1.047) 11.876 11.124 ( 1.321 -0.785 0.634) 1.662 11.214 ( -0.069 0.065 2.623) 2.625 11.627 ( -0.681 -8.244 -4.541) 9.437 11.918 ( -1.093 -1.935 13.720) 13.899 12.020 ( 2.781 1.978 11.326) 11.828 12.097 ( 2.790 1.491 12.455) 12.850 12.293 ( 2.209 0.897 1.024) 2.595 12.408 ( 5.130 0.808 9.287) 10.641 12.517 ( -4.833 3.237 4.222) 7.188 12.588 ( 3.159 2.156 6.857) 7.852 13.032 ( -2.252 -3.667 4.895) 6.517 13.246 ( 2.529 3.189 2.197) 4.625 13.374 ( -4.102 -2.310 3.498) 5.865 13.502 ( 2.558 0.401 -0.531) 2.644 13.533 ( -2.097 -1.366 3.044) 3.941 13.733 ( 3.262 3.620 4.083) 6.357 14.672 ( -1.886 -0.322 0.886) 2.109 14.719 ( -0.376 0.894 0.597) 1.138 15.030 ( -9.918 -2.040 -0.343) 10.132 15.270 ( 7.190 1.070 0.898) 7.324 15.746 ( 4.261 -3.725 -4.153) 7.020 15.824 ( -5.148 3.140 0.107) 6.031 16.053 ( 1.620 -4.598 -0.888) 4.955 16.238 ( -0.069 4.158 -2.447) 4.825 16.370 ( 0.018 -4.980 -8.286) 9.667 16.585 ( -2.122 3.477 -9.226) 10.085 16.732 ( -3.752 -1.246 -0.399) 3.973 16.901 ( -5.846 -4.580 -0.128) 7.427 17.071 ( 10.252 -0.401 -0.430) 10.269 17.305 ( 0.475 5.767 -4.197) 7.148 17.611 ( -6.203 -0.996 3.284) 7.090 17.850 ( 11.019 2.333 6.529) 13.018 18.142 ( -11.802 -2.250 -8.527) 14.733 18.455 ( 7.165 2.546 -4.252) 8.712 19.143 ( -0.069 -3.240 0.878) 3.358 19.282 ( -2.081 4.083 -2.545) 5.242 19.329 ( 3.056 -4.918 2.750) 6.410 19.394 ( -0.600 1.004 1.449) 1.863 19.876 ( -9.609 1.184 -5.592) 11.180 19.921 ( 5.147 -3.260 -3.522) 7.037 23.251 ( -5.830 -1.726 2.088) 6.429 23.536 ( 8.777 5.281 4.595) 11.227 23.889 ( -11.409 -3.768 -7.171) 13.993 24.287 ( 16.890 2.326 -9.202) 19.374 24.885 ( -11.341 -0.420 8.725) 14.315 25.114 ( 7.749 0.676 6.816) 10.342 25.414 ( -4.592 -1.011 -4.141) 6.265 25.447 ( -1.340 -0.713 -2.481) 2.909 26.024 ( -3.802 -3.478 0.153) 5.155 26.152 ( 1.155 0.924 -0.706) 1.639 26.398 ( 2.121 -2.075 7.533) 8.096 26.505 ( -7.007 5.706 11.799) 14.862 29.778 ( 1.285 -7.238 -0.704) 7.385 30.388 ( -1.061 24.581 -0.544) 24.610 32.066 ( -0.190 -35.269 2.879) 35.387 32.348 ( -2.073 -0.607 14.960) 15.115 32.374 ( -0.072 -2.598 19.216) 19.391 32.535 ( 0.234 1.883 22.038) 22.119 32.607 ( 5.698 -3.356 15.676) 17.014 33.423 ( -2.291 20.532 1.123) 20.690 34.779 ( -1.353 -2.371 -32.836) 32.950 34.941 ( 0.611 2.654 -30.754) 30.874 35.332 ( 1.676 -0.521 -32.123) 32.171 35.557 ( 14.083 6.272 -35.199) 38.427 ======================= Grid point 19 (18/69) ======================= q-point: (-0.05 0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -21.590 -16.287 -0.000) 27.044 2.084 ( 14.258 8.730 0.000) 16.718 2.313 ( -28.215 -21.241 -0.000) 35.317 2.780 ( 20.016 26.608 0.000) 33.296 3.206 ( -14.365 -30.049 -0.000) 33.306 3.302 ( -0.011 3.417 0.000) 3.417 3.473 ( -8.802 -12.052 -0.000) 14.924 3.828 ( 20.385 22.075 0.000) 30.047 4.319 ( -11.481 8.969 0.000) 14.569 4.437 ( -1.159 11.134 0.000) 11.194 4.459 ( 1.881 3.101 0.000) 3.627 4.577 ( 13.742 -8.804 -0.000) 16.320 5.446 ( 0.672 16.848 0.000) 16.861 5.478 ( 3.635 -20.960 -0.000) 21.273 6.121 ( -7.532 -10.464 -0.000) 12.892 6.179 ( -3.085 9.699 0.000) 10.177 6.377 ( -5.449 -0.949 0.000) 5.531 6.411 ( -1.521 2.244 0.000) 2.711 6.444 ( 4.826 -20.753 -0.000) 21.307 6.474 ( 5.108 6.056 0.000) 7.923 6.545 ( 0.178 7.578 0.000) 7.580 6.554 ( -1.848 -1.528 -0.000) 2.398 6.862 ( -2.579 3.353 0.000) 4.231 6.908 ( -6.437 8.389 0.000) 10.574 7.028 ( 0.513 -3.305 -0.000) 3.344 7.040 ( 9.831 -1.194 -0.000) 9.903 7.216 ( -1.469 -1.063 -0.000) 1.813 7.253 ( -0.167 -0.824 -0.000) 0.840 7.505 ( -1.162 -5.862 -0.000) 5.976 7.574 ( 3.449 5.167 0.000) 6.213 7.926 ( -2.010 -7.577 -0.000) 7.839 7.936 ( -0.703 4.584 0.000) 4.637 8.105 ( -3.511 -10.592 -0.000) 11.159 8.267 ( -8.234 15.321 0.000) 17.394 8.274 ( 13.464 14.939 0.000) 20.111 8.435 ( 7.668 -15.525 -0.000) 17.316 9.201 ( -2.063 17.705 0.000) 17.824 9.217 ( -0.553 -13.425 -0.000) 13.437 9.445 ( -3.995 -7.396 -0.000) 8.406 9.559 ( 7.297 1.031 -0.000) 7.370 9.890 ( -5.870 -14.514 -0.000) 15.656 9.943 ( -0.524 13.854 0.000) 13.864 10.116 ( -7.219 -6.952 -0.000) 10.022 10.271 ( 8.517 9.634 0.000) 12.859 11.155 ( -3.038 -2.280 -0.000) 3.798 11.242 ( 5.488 2.411 -0.000) 5.994 11.762 ( -5.167 -13.000 -0.000) 13.990 11.888 ( 7.605 14.899 0.000) 16.728 12.235 ( -6.404 7.708 0.000) 10.021 12.290 ( -1.353 -1.305 -0.000) 1.880 12.420 ( -3.527 -1.584 0.000) 3.866 12.474 ( 2.805 1.718 0.000) 3.289 12.730 ( -3.743 2.843 0.000) 4.700 12.800 ( 3.663 -2.578 -0.000) 4.480 13.142 ( 0.851 1.710 0.000) 1.910 13.185 ( 5.208 -6.434 -0.000) 8.278 13.423 ( -6.606 -0.916 0.000) 6.670 13.554 ( 6.376 0.128 -0.000) 6.377 13.758 ( 0.220 -3.721 -0.000) 3.727 13.770 ( 1.144 5.240 0.000) 5.364 14.711 ( -0.486 -1.496 -0.000) 1.573 14.712 ( -0.624 1.454 0.000) 1.582 15.273 ( -10.684 -2.080 0.000) 10.884 15.450 ( 7.127 1.301 -0.000) 7.244 15.695 ( -3.777 6.621 0.000) 7.623 15.787 ( 5.556 -6.975 -0.000) 8.918 15.997 ( -0.502 9.059 0.000) 9.072 16.017 ( 1.462 -10.281 -0.000) 10.384 16.224 ( -1.950 4.994 0.000) 5.361 16.242 ( -0.100 -5.023 -0.000) 5.024 16.781 ( -7.555 -3.148 0.000) 8.184 16.871 ( 2.259 8.881 0.000) 9.164 17.050 ( -2.323 -6.990 -0.000) 7.366 17.171 ( 9.228 1.181 -0.000) 9.304 17.828 ( -9.184 -1.462 0.000) 9.300 17.857 ( -13.622 -3.456 0.000) 14.054 18.040 ( 9.793 1.701 -0.000) 9.940 18.165 ( 15.169 4.546 -0.000) 15.836 19.180 ( -4.574 4.438 0.000) 6.373 19.203 ( -3.658 -2.275 -0.000) 4.308 19.416 ( -6.385 3.051 0.000) 7.076 19.612 ( 12.694 -6.375 -0.000) 14.205 19.633 ( -12.729 3.147 0.000) 13.112 19.908 ( 15.256 -5.850 -0.000) 16.339 23.456 ( -6.174 -2.865 -0.000) 6.806 23.467 ( -8.398 -0.045 0.000) 8.399 23.821 ( 4.921 4.169 0.000) 6.450 23.935 ( 13.703 3.767 -0.000) 14.211 25.197 ( -9.329 -1.492 0.000) 9.447 25.237 ( -4.314 -1.739 0.000) 4.651 25.326 ( 2.075 -0.833 -0.000) 2.236 25.342 ( 3.170 0.491 -0.000) 3.208 26.111 ( 2.526 -3.410 -0.000) 4.244 26.115 ( 2.574 1.847 0.000) 3.168 26.610 ( -14.792 20.309 0.000) 25.125 26.745 ( 0.360 -15.779 -0.000) 15.783 29.981 ( -0.315 -17.663 -0.000) 17.666 30.001 ( 1.766 17.461 0.000) 17.550 32.878 ( -2.894 30.761 0.000) 30.897 32.932 ( 2.347 -17.407 -0.000) 17.565 33.026 ( -3.804 3.444 0.000) 5.132 33.142 ( 8.037 -15.263 -0.000) 17.249 33.507 ( 0.122 7.649 0.000) 7.650 33.532 ( 3.749 -8.671 -0.000) 9.447 33.721 ( -0.507 -2.707 -0.000) 2.754 33.731 ( 0.482 2.841 0.000) 2.881 34.004 ( -0.854 3.103 0.000) 3.218 34.021 ( 0.857 -3.110 -0.000) 3.226 ======================= Grid point 20 (19/69) ======================= q-point: (-0.05 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 8.813 20.865 10.843) 25.111 2.795 ( 27.351 7.559 -3.684) 28.615 2.976 ( -9.174 -18.625 9.848) 22.979 3.087 ( -8.042 -13.143 17.113) 23.028 3.617 ( -3.366 3.782 20.782) 21.390 3.889 ( -2.249 3.230 3.075) 4.995 4.044 ( -7.303 19.013 5.105) 20.997 4.117 ( 6.960 2.426 13.577) 15.449 4.167 ( 0.588 -4.979 8.709) 10.049 4.440 ( -5.478 -4.896 13.946) 15.763 4.528 ( -6.571 1.207 16.066) 17.399 4.889 ( -5.884 -7.503 7.048) 11.857 5.138 ( 4.290 11.388 -8.152) 14.647 5.330 ( -1.480 3.112 -8.934) 9.575 5.716 ( 6.036 -7.188 -2.494) 9.712 5.814 ( -4.785 -2.270 -17.428) 18.215 5.954 ( 6.539 -0.643 -10.650) 12.514 6.004 ( -1.043 6.798 -5.391) 8.739 6.244 ( 3.422 -3.216 -8.430) 9.650 6.404 ( 1.759 4.762 0.282) 5.085 6.586 ( -2.651 2.304 -2.004) 4.044 6.959 ( 2.438 -0.261 -0.110) 2.455 7.067 ( 0.580 -13.332 4.015) 13.935 7.103 ( -3.684 -5.815 8.367) 10.835 7.234 ( -4.700 -5.131 3.936) 7.994 7.320 ( 0.645 -3.030 2.707) 4.114 7.423 ( -2.825 -0.496 5.639) 6.326 7.553 ( 0.999 -5.491 8.658) 10.301 7.711 ( -0.349 4.472 17.531) 18.096 7.829 ( -2.561 10.188 6.549) 12.379 7.972 ( 8.643 -0.304 -0.020) 8.648 8.076 ( 1.581 2.253 23.454) 23.615 8.255 ( -1.639 3.615 9.257) 10.072 8.348 ( 2.307 -3.116 8.838) 9.651 8.637 ( 0.988 4.572 3.426) 5.798 8.881 ( 0.963 -4.304 13.949) 14.630 8.903 ( -4.134 1.016 5.973) 7.335 9.428 ( 1.725 1.955 -1.130) 2.842 9.544 ( -0.178 -1.717 0.481) 1.792 9.599 ( 4.315 -4.399 3.267) 6.975 9.775 ( 2.240 8.800 3.506) 9.734 10.031 ( -0.391 4.829 -3.166) 5.787 10.170 ( 0.560 -6.113 -0.435) 6.154 10.255 ( -10.503 -6.922 3.323) 13.010 11.138 ( 2.265 -0.055 -1.908) 2.962 11.240 ( 2.532 -1.882 -0.352) 3.174 11.662 ( 2.848 11.887 3.533) 12.723 11.877 ( -4.143 -1.153 -7.598) 8.730 11.991 ( -2.779 0.526 -11.522) 11.864 12.028 ( -2.781 -0.603 -12.978) 13.286 12.237 ( -1.828 5.201 -1.390) 5.685 12.290 ( -6.717 -0.478 -7.907) 10.386 12.544 ( -1.593 -3.962 -6.612) 7.871 12.642 ( 6.464 -2.674 -5.817) 9.098 13.119 ( 6.296 3.184 -3.326) 7.800 13.187 ( -2.682 -4.621 -6.998) 8.804 13.387 ( -1.624 3.074 -6.904) 7.730 13.530 ( 4.939 -2.048 0.691) 5.391 13.589 ( 0.525 1.196 2.351) 2.690 13.646 ( -3.650 -2.315 -4.910) 6.541 14.699 ( 0.761 -0.317 0.106) 0.831 14.720 ( -0.193 -1.241 -1.222) 1.752 15.116 ( -8.245 -1.709 0.078) 8.420 15.220 ( 9.288 1.142 -1.101) 9.423 15.666 ( -4.022 3.758 4.960) 7.409 15.911 ( 3.642 -3.429 -0.505) 5.028 16.029 ( -1.070 4.026 -0.096) 4.167 16.264 ( 2.434 -3.626 2.764) 5.169 16.353 ( -1.356 4.724 7.601) 9.051 16.616 ( 0.686 -3.795 8.999) 9.790 16.731 ( -3.052 2.129 0.738) 3.794 16.865 ( -7.048 3.291 1.332) 7.892 17.096 ( 9.772 0.462 -0.398) 9.791 17.322 ( 1.870 -5.286 4.117) 6.956 17.662 ( -7.306 -1.613 -4.177) 8.568 17.775 ( 10.340 1.330 -5.907) 11.982 18.246 ( -12.971 -2.659 8.512) 15.741 18.349 ( 8.058 2.103 5.561) 10.014 19.076 ( -3.718 4.629 -0.213) 5.941 19.209 ( -6.791 1.161 0.073) 6.890 19.373 ( 4.276 -2.538 0.149) 4.975 19.488 ( 4.827 -0.212 -2.876) 5.623 19.829 ( -2.987 0.469 4.786) 5.661 20.064 ( 9.518 -2.636 1.499) 9.989 23.364 ( -6.617 -2.964 -2.241) 7.589 23.395 ( 7.545 1.366 -4.623) 8.953 23.954 ( -16.247 -0.206 9.799) 18.975 24.132 ( 11.478 4.417 8.482) 14.940 24.938 ( -9.038 -1.548 -8.381) 12.423 25.100 ( 10.268 -0.087 -7.097) 12.482 25.455 ( -0.920 -0.614 3.422) 3.597 25.469 ( 1.146 -0.273 2.515) 2.778 26.081 ( 2.294 1.874 0.448) 2.995 26.146 ( -1.087 -1.568 -0.522) 1.978 26.290 ( -5.613 2.824 -2.699) 6.838 26.598 ( 1.001 -5.446 -14.796) 15.798 29.757 ( -0.769 7.762 0.661) 7.828 30.412 ( 1.327 -25.487 0.349) 25.524 32.070 ( 0.201 36.567 -1.876) 36.615 32.371 ( -0.452 1.446 -18.625) 18.687 32.388 ( 1.839 0.524 -15.090) 15.210 32.488 ( -3.758 1.390 -16.780) 17.252 32.558 ( 0.005 -0.501 -21.037) 21.043 33.481 ( 3.562 -20.177 -3.373) 20.764 34.813 ( 2.099 2.460 33.000) 33.158 34.926 ( -0.846 -4.077 31.080) 31.358 35.275 ( -4.020 4.260 34.403) 34.898 35.408 ( -2.009 -0.596 34.257) 34.321 ======================= Grid point 21 (20/69) ======================= q-point: (-0.06 0.44 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 0.000 -9.490 21.749) 23.729 2.641 ( 0.000 -23.560 8.710) 25.119 3.288 ( -0.000 4.051 -14.424) 14.982 3.501 ( 0.000 4.161 12.258) 12.945 3.681 ( 0.000 -10.347 5.881) 11.902 3.825 ( -0.000 24.468 -0.791) 24.481 4.310 ( 0.000 -0.165 0.333) 0.372 4.346 ( 0.000 -5.379 8.119) 9.739 4.432 ( 0.000 -9.497 12.926) 16.039 4.637 ( -0.000 9.264 8.198) 12.370 4.954 ( 0.000 6.867 14.103) 15.686 4.982 ( -0.000 12.132 1.857) 12.273 5.052 ( -0.000 -4.368 -11.268) 12.085 5.096 ( -0.000 13.843 -18.496) 23.103 5.372 ( -0.000 -2.720 -13.711) 13.978 5.428 ( 0.000 -5.696 -6.777) 8.853 5.819 ( 0.000 -7.556 -0.579) 7.578 6.130 ( 0.000 -5.185 -5.987) 7.920 6.286 ( 0.000 -17.508 8.749) 19.572 6.549 ( -0.000 9.982 5.062) 11.192 6.567 ( -0.000 17.612 -2.262) 17.757 6.715 ( 0.000 -3.193 -1.434) 3.500 6.886 ( 0.000 -17.386 1.328) 17.437 7.034 ( 0.000 -2.710 4.745) 5.464 7.099 ( -0.000 4.669 0.728) 4.725 7.377 ( 0.000 0.054 5.406) 5.406 7.399 ( -0.000 7.035 4.174) 8.180 7.478 ( 0.000 -4.003 2.096) 4.519 8.185 ( 0.000 -11.488 1.091) 11.540 8.275 ( -0.000 17.260 12.966) 21.588 8.385 ( 0.000 -2.896 13.727) 14.030 8.412 ( 0.000 -4.054 12.992) 13.610 8.571 ( 0.000 0.144 13.823) 13.824 8.680 ( -0.000 7.811 0.659) 7.839 8.773 ( 0.000 -4.322 5.467) 6.969 8.875 ( -0.000 6.255 9.322) 11.227 9.037 ( 0.000 -6.339 1.593) 6.536 9.415 ( 0.000 0.836 6.057) 6.114 9.481 ( 0.000 -1.885 1.108) 2.187 9.595 ( 0.000 -2.726 -3.041) 4.084 9.781 ( 0.000 -8.355 2.777) 8.805 10.031 ( -0.000 6.294 2.072) 6.626 10.101 ( 0.000 -2.589 0.087) 2.590 10.155 ( -0.000 7.956 -6.117) 10.035 11.217 ( -0.000 2.176 -0.777) 2.310 11.331 ( 0.000 -3.842 2.588) 4.632 11.639 ( -0.000 -1.528 -6.402) 6.582 11.765 ( -0.000 3.308 -9.132) 9.712 11.805 ( -0.000 -0.129 -6.536) 6.537 11.904 ( -0.000 -1.785 -9.779) 9.940 12.069 ( -0.000 13.677 -0.342) 13.681 12.209 ( 0.000 -6.240 -10.468) 12.187 12.379 ( -0.000 5.790 2.907) 6.478 12.683 ( -0.000 -1.523 -4.518) 4.768 12.997 ( -0.000 -0.756 -3.144) 3.234 13.259 ( 0.000 -5.253 1.568) 5.483 13.265 ( -0.000 0.960 -5.222) 5.310 13.428 ( -0.000 1.822 1.227) 2.196 13.524 ( -0.000 2.384 -6.493) 6.917 13.585 ( -0.000 -1.467 -3.375) 3.680 14.638 ( 0.000 -1.701 -0.251) 1.720 14.719 ( 0.000 -0.373 0.898) 0.972 15.059 ( 0.000 -3.301 14.178) 14.557 15.554 ( 0.000 -0.937 8.138) 8.192 15.558 ( -0.000 2.671 -6.394) 6.930 15.884 ( -0.000 -1.780 -5.237) 5.531 16.089 ( -0.000 5.448 1.637) 5.689 16.396 ( 0.000 -4.833 0.053) 4.834 16.426 ( 0.000 -3.249 4.339) 5.421 16.517 ( -0.000 4.633 1.421) 4.846 16.662 ( 0.000 -1.240 1.622) 2.042 17.038 ( -0.000 4.549 0.884) 4.634 17.141 ( 0.000 -4.772 1.716) 5.071 17.346 ( -0.000 0.358 -0.837) 0.910 17.828 ( 0.000 1.453 7.312) 7.455 17.865 ( 0.000 -4.906 7.404) 8.882 18.108 ( -0.000 -0.278 -5.254) 5.261 18.222 ( -0.000 4.523 -7.420) 8.690 19.009 ( 0.000 -0.928 -0.066) 0.931 19.349 ( -0.000 1.418 1.650) 2.176 19.479 ( -0.000 5.213 1.943) 5.563 19.585 ( 0.000 -0.080 1.764) 1.766 19.728 ( 0.000 -5.731 3.255) 6.591 20.104 ( 0.000 -4.295 -3.976) 5.853 23.268 ( 0.000 -2.397 6.532) 6.958 23.636 ( 0.000 -1.854 6.083) 6.360 23.675 ( -0.000 3.281 -9.946) 10.473 24.116 ( -0.000 5.759 -6.732) 8.860 25.098 ( 0.000 -1.604 5.337) 5.573 25.262 ( 0.000 -2.163 -2.065) 2.990 25.330 ( 0.000 -2.623 3.700) 4.536 25.433 ( -0.000 0.587 0.494) 0.767 25.836 ( 0.000 -1.984 0.186) 1.992 26.181 ( -0.000 0.943 -0.639) 1.139 26.304 ( 0.000 -3.032 -0.488) 3.071 26.345 ( -0.000 1.710 -4.767) 5.064 29.966 ( -0.000 8.024 -0.581) 8.045 30.044 ( 0.000 -8.018 0.711) 8.049 32.088 ( -0.000 -0.323 -8.059) 8.066 32.143 ( -0.000 -1.792 -8.724) 8.906 32.172 ( -0.000 1.075 -10.364) 10.419 32.229 ( -0.000 -0.330 -9.253) 9.258 32.851 ( -0.000 33.363 0.656) 33.370 32.942 ( 0.000 -31.464 -5.280) 31.904 35.345 ( 0.000 -2.785 19.502) 19.699 35.429 ( 0.000 0.818 19.074) 19.092 35.818 ( 0.000 2.741 19.227) 19.421 36.082 ( -0.000 10.465 12.752) 16.496 ======================= Grid point 22 (21/69) ======================= q-point: (-0.06 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -0.000 23.591 -27.211) 36.013 2.219 ( -0.000 4.175 -29.527) 29.820 3.274 ( -0.000 8.033 2.412) 8.387 3.567 ( 0.000 -6.982 1.800) 7.210 3.576 ( 0.000 -3.640 3.378) 4.966 4.176 ( -0.000 14.563 -8.027) 16.629 4.242 ( -0.000 7.853 -10.437) 13.062 4.259 ( 0.000 -1.441 3.750) 4.017 4.300 ( 0.000 -17.689 -0.144) 17.689 4.760 ( 0.000 -2.792 -2.077) 3.479 4.920 ( -0.000 7.092 11.320) 13.358 5.003 ( 0.000 0.649 6.331) 6.364 5.044 ( -0.000 -0.881 -6.250) 6.311 5.251 ( 0.000 1.204 6.596) 6.705 5.408 ( 0.000 -1.879 0.959) 2.109 5.632 ( 0.000 -22.367 14.527) 26.671 5.792 ( -0.000 0.680 -7.213) 7.245 6.018 ( -0.000 5.451 -2.658) 6.065 6.060 ( -0.000 1.423 -0.806) 1.635 6.538 ( -0.000 14.550 -0.241) 14.552 6.716 ( 0.000 -0.712 -0.600) 0.931 6.733 ( -0.000 3.053 -1.936) 3.615 6.750 ( 0.000 -8.791 -2.597) 9.167 6.987 ( 0.000 -3.782 0.370) 3.800 7.185 ( -0.000 -4.718 -10.673) 11.669 7.289 ( -0.000 5.731 -4.727) 7.429 7.523 ( 0.000 -5.252 0.443) 5.271 7.703 ( 0.000 -19.345 -2.462) 19.501 7.877 ( -0.000 17.286 -4.448) 17.849 8.267 ( -0.000 8.568 -15.992) 18.143 8.306 ( -0.000 7.415 -10.276) 12.672 8.531 ( -0.000 5.203 1.004) 5.299 8.541 ( 0.000 -9.300 -11.110) 14.489 8.659 ( -0.000 2.258 -17.562) 17.706 8.838 ( 0.000 -5.287 -5.192) 7.410 8.906 ( -0.000 6.195 -6.039) 8.652 9.025 ( 0.000 -8.654 0.168) 8.656 9.421 ( -0.000 1.654 -5.449) 5.694 9.445 ( -0.000 5.074 -1.281) 5.233 9.601 ( 0.000 -5.065 0.738) 5.118 9.676 ( -0.000 -0.859 -6.394) 6.452 9.972 ( -0.000 8.708 -1.941) 8.921 10.178 ( 0.000 -6.155 1.280) 6.286 10.332 ( 0.000 -8.240 7.546) 11.173 11.206 ( -0.000 3.552 2.056) 4.104 11.287 ( -0.000 0.373 -2.865) 2.889 11.614 ( 0.000 0.997 7.515) 7.581 11.742 ( -0.000 5.058 -0.545) 5.087 11.814 ( 0.000 -1.321 11.354) 11.430 11.879 ( 0.000 0.388 10.064) 10.072 12.095 ( 0.000 1.040 17.297) 17.328 12.354 ( 0.000 -10.050 1.452) 10.154 12.493 ( 0.000 -5.714 0.053) 5.715 12.647 ( 0.000 2.400 4.412) 5.023 12.978 ( 0.000 1.200 3.500) 3.700 13.174 ( -0.000 3.378 -3.808) 5.090 13.276 ( 0.000 -0.638 2.392) 2.476 13.467 ( 0.000 -1.708 4.044) 4.390 13.564 ( 0.000 0.724 1.903) 2.036 13.566 ( 0.000 -1.867 6.143) 6.421 14.606 ( -0.000 1.356 -0.900) 1.627 14.720 ( -0.000 -0.388 -1.063) 1.131 14.999 ( -0.000 2.714 -14.778) 15.025 15.544 ( -0.000 0.202 -8.750) 8.752 15.603 ( 0.000 -1.824 6.706) 6.949 15.859 ( 0.000 0.753 3.237) 3.323 16.115 ( -0.000 2.265 1.672) 2.815 16.342 ( -0.000 3.973 -2.948) 4.947 16.385 ( 0.000 -3.410 -3.712) 5.040 16.617 ( -0.000 3.058 -2.287) 3.819 16.619 ( 0.000 -4.070 -2.010) 4.539 16.854 ( -0.000 9.913 0.187) 9.915 17.324 ( 0.000 -10.675 -2.242) 10.907 17.361 ( 0.000 -0.909 1.135) 1.454 17.781 ( -0.000 3.697 -7.838) 8.666 17.855 ( -0.000 -1.202 -6.916) 7.020 18.100 ( 0.000 0.441 5.752) 5.769 18.296 ( 0.000 -2.971 7.851) 8.394 18.986 ( -0.000 1.261 -0.782) 1.484 19.395 ( 0.000 -3.075 -0.365) 3.097 19.433 ( -0.000 7.517 2.731) 7.998 19.564 ( -0.000 1.993 -1.993) 2.819 19.742 ( -0.000 -5.484 -10.499) 11.845 20.021 ( -0.000 4.150 1.229) 4.328 23.233 ( -0.000 1.287 -6.754) 6.876 23.620 ( -0.000 0.085 -6.020) 6.021 23.724 ( 0.000 -1.761 10.996) 11.136 24.202 ( 0.000 -3.149 10.272) 10.744 25.075 ( -0.000 0.786 -6.729) 6.775 25.225 ( -0.000 1.541 0.772) 1.723 25.278 ( -0.000 2.440 -4.856) 5.435 25.440 ( -0.000 -0.148 -1.071) 1.082 25.797 ( -0.000 1.807 -1.456) 2.320 26.194 ( 0.000 -0.415 1.366) 1.428 26.255 ( -0.000 1.809 -2.077) 2.754 26.376 ( 0.000 -1.350 5.110) 5.285 29.802 ( -0.000 6.837 0.915) 6.898 30.389 ( 0.000 -24.570 -1.369) 24.608 32.010 ( -0.000 28.070 1.749) 28.124 32.080 ( 0.000 0.417 7.693) 7.705 32.108 ( 0.000 1.815 7.645) 7.858 32.193 ( 0.000 -0.934 11.465) 11.503 32.466 ( -0.000 8.707 12.929) 15.588 33.396 ( 0.000 -20.615 -0.689) 20.627 35.300 ( -0.000 1.741 -21.116) 21.188 35.436 ( -0.000 -0.003 -17.819) 17.819 35.863 ( -0.000 -1.766 -17.464) 17.553 36.300 ( 0.000 -10.753 -2.327) 11.002 ======================= Grid point 23 (22/69) ======================= q-point: (-0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -0.000 0.000 -29.964) 29.964 0.749 ( -0.000 0.000 -38.179) 38.179 1.552 ( -0.000 0.000 -73.544) 73.544 3.078 ( -0.000 0.000 -32.525) 32.525 3.410 ( -0.000 0.000 -24.166) 24.166 3.599 ( -0.000 0.000 -24.229) 24.229 4.262 ( 0.000 -0.000 24.872) 24.872 4.269 ( -0.000 0.000 -9.263) 9.263 4.431 ( 0.000 -0.000 12.172) 12.172 4.531 ( -0.000 0.000 -4.350) 4.350 4.789 ( -0.000 0.000 -12.102) 12.102 5.013 ( 0.000 -0.000 9.950) 9.950 5.189 ( -0.000 0.000 -10.359) 10.359 5.331 ( 0.000 -0.000 3.214) 3.214 5.799 ( 0.000 -0.000 4.345) 4.345 5.823 ( 0.000 -0.000 14.499) 14.499 5.860 ( 0.000 -0.000 5.510) 5.510 6.038 ( -0.000 0.000 -1.857) 1.857 6.327 ( -0.000 0.000 -2.760) 2.760 6.535 ( -0.000 0.000 -1.196) 1.196 6.653 ( -0.000 0.000 -10.285) 10.285 6.658 ( 0.000 -0.000 4.538) 4.538 6.923 ( -0.000 0.000 -0.880) 0.880 6.998 ( 0.000 -0.000 17.878) 17.878 7.027 ( 0.000 -0.000 10.200) 10.200 7.209 ( 0.000 -0.000 13.368) 13.368 7.368 ( -0.000 0.000 -7.442) 7.442 7.415 ( -0.000 0.000 -18.235) 18.235 7.551 ( -0.000 0.000 -15.925) 15.925 7.771 ( -0.000 0.000 -14.405) 14.405 7.783 ( 0.000 -0.000 3.393) 3.393 8.110 ( 0.000 -0.000 7.544) 7.544 8.122 ( -0.000 0.000 -21.942) 21.942 8.259 ( -0.000 0.000 -18.049) 18.049 8.552 ( 0.000 -0.000 2.445) 2.445 8.764 ( 0.000 -0.000 6.403) 6.403 9.046 ( -0.000 0.000 -8.965) 8.965 9.319 ( 0.000 -0.000 1.829) 1.829 9.330 ( -0.000 0.000 -0.961) 0.961 9.360 ( -0.000 0.000 -8.830) 8.830 9.516 ( -0.000 0.000 -3.504) 3.504 9.917 ( 0.000 -0.000 1.830) 1.830 10.204 ( -0.000 0.000 -1.231) 1.231 10.731 ( 0.000 -0.000 7.015) 7.015 11.157 ( -0.000 0.000 -3.872) 3.872 11.313 ( 0.000 -0.000 4.775) 4.775 11.520 ( -0.000 0.000 -4.730) 4.730 12.119 ( 0.000 -0.000 9.810) 9.810 12.132 ( 0.000 -0.000 2.029) 2.029 12.303 ( 0.000 -0.000 4.733) 4.733 12.455 ( -0.000 0.000 -0.061) 0.061 12.580 ( 0.000 -0.000 4.782) 4.782 12.647 ( 0.000 -0.000 4.738) 4.738 12.809 ( 0.000 -0.000 3.430) 3.430 13.107 ( -0.000 0.000 -0.476) 0.476 13.197 ( -0.000 0.000 -1.097) 1.097 13.207 ( 0.000 -0.000 5.324) 5.324 13.587 ( 0.000 -0.000 0.916) 0.916 13.770 ( 0.000 -0.000 2.802) 2.802 14.094 ( 0.000 -0.000 12.504) 12.504 14.591 ( 0.000 -0.000 0.982) 0.982 14.694 ( -0.000 0.000 -0.502) 0.502 14.776 ( 0.000 -0.000 7.504) 7.504 15.513 ( 0.000 -0.000 9.739) 9.739 15.712 ( 0.000 -0.000 0.302) 0.302 15.791 ( -0.000 0.000 -2.066) 2.066 15.896 ( -0.000 0.000 -11.254) 11.254 16.161 ( -0.000 0.000 -4.417) 4.417 16.296 ( -0.000 0.000 -2.816) 2.816 16.318 ( -0.000 0.000 -12.872) 12.872 16.466 ( -0.000 0.000 -1.505) 1.505 16.778 ( -0.000 0.000 -0.700) 0.700 17.360 ( -0.000 0.000 -1.482) 1.482 17.462 ( 0.000 -0.000 3.345) 3.345 17.532 ( -0.000 0.000 -2.399) 2.399 17.622 ( -0.000 0.000 -5.003) 5.003 18.277 ( 0.000 -0.000 2.974) 2.974 18.622 ( 0.000 -0.000 6.719) 6.719 18.933 ( -0.000 0.000 -0.646) 0.646 19.284 ( -0.000 0.000 -12.133) 12.133 19.343 ( -0.000 0.000 -5.104) 5.104 19.382 ( 0.000 -0.000 0.688) 0.688 19.429 ( -0.000 0.000 -0.570) 0.570 19.975 ( -0.000 0.000 -0.566) 0.566 23.055 ( -0.000 0.000 -1.824) 1.824 23.457 ( -0.000 0.000 -2.117) 2.117 24.176 ( 0.000 -0.000 9.419) 9.419 24.650 ( 0.000 -0.000 8.857) 8.857 24.755 ( -0.000 0.000 -7.633) 7.633 24.999 ( -0.000 0.000 -6.926) 6.926 25.239 ( 0.000 -0.000 0.888) 0.888 25.360 ( -0.000 0.000 -1.741) 1.741 25.734 ( -0.000 0.000 -0.481) 0.481 26.158 ( -0.000 0.000 -0.963) 0.963 26.251 ( 0.000 -0.000 0.782) 0.782 26.543 ( 0.000 -0.000 1.967) 1.967 29.768 ( 0.000 -0.000 0.438) 0.438 30.678 ( -0.000 0.000 -1.083) 1.083 31.587 ( 0.000 -0.000 0.176) 0.176 32.636 ( 0.000 -0.000 19.536) 19.536 32.779 ( 0.000 -0.000 25.671) 25.671 33.056 ( 0.000 -0.000 12.517) 12.517 33.111 ( 0.000 -0.000 32.944) 32.944 33.575 ( -0.000 0.000 -0.466) 0.466 34.072 ( -0.000 0.000 -32.407) 32.407 34.323 ( -0.000 0.000 -33.235) 33.235 34.677 ( -0.000 0.000 -38.969) 38.969 36.319 ( -0.000 0.000 -4.600) 4.600 ======================= Grid point 24 (23/69) ======================= q-point: (-0.06 0.19 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.000 -20.775 28.494) 35.263 1.335 ( 0.000 -39.637 25.578) 47.173 1.822 ( 0.000 -37.844 51.716) 64.083 2.961 ( 0.000 10.104 32.320) 33.863 3.469 ( 0.000 -5.696 24.504) 25.157 3.656 ( 0.000 -2.636 23.048) 23.198 3.937 ( -0.000 26.931 11.221) 29.175 4.113 ( -0.000 9.173 -17.364) 19.638 4.472 ( -0.000 5.880 5.154) 7.819 4.568 ( -0.000 -3.568 -16.599) 16.978 4.794 ( 0.000 -0.655 8.698) 8.723 4.862 ( -0.000 18.202 -4.296) 18.702 5.302 ( 0.000 -14.650 10.421) 17.978 5.495 ( 0.000 -15.546 -6.158) 16.721 5.713 ( -0.000 10.542 -4.029) 11.286 5.783 ( -0.000 2.593 -15.027) 15.249 6.000 ( 0.000 -15.695 -5.815) 16.738 6.181 ( 0.000 -12.400 1.144) 12.453 6.399 ( 0.000 -6.220 4.868) 7.899 6.484 ( -0.000 3.877 2.414) 4.567 6.509 ( -0.000 13.813 -12.033) 18.319 6.727 ( 0.000 -7.171 6.212) 9.487 6.845 ( -0.000 10.017 -10.734) 14.682 6.899 ( -0.000 3.257 -4.025) 5.178 7.129 ( -0.000 -2.896 -11.784) 12.134 7.143 ( -0.000 0.090 -3.937) 3.938 7.359 ( -0.000 12.567 9.230) 15.593 7.467 ( 0.000 3.598 20.307) 20.623 7.539 ( 0.000 -8.442 3.461) 9.124 7.674 ( 0.000 3.348 19.576) 19.860 7.761 ( -0.000 -1.161 -2.802) 3.033 8.026 ( 0.000 3.592 13.502) 13.971 8.294 ( 0.000 -11.876 1.892) 12.026 8.309 ( 0.000 -2.487 15.523) 15.721 8.485 ( -0.000 8.797 0.582) 8.817 8.898 ( 0.000 -11.949 -8.203) 14.494 9.063 ( 0.000 -0.489 4.133) 4.161 9.203 ( -0.000 10.106 0.526) 10.120 9.280 ( 0.000 3.303 8.834) 9.431 9.454 ( 0.000 -9.876 1.924) 10.061 9.595 ( 0.000 -7.245 1.442) 7.388 9.939 ( 0.000 -2.098 -0.131) 2.102 10.118 ( -0.000 8.516 1.815) 8.707 10.693 ( -0.000 8.384 -9.479) 12.654 11.149 ( 0.000 0.358 3.762) 3.779 11.337 ( -0.000 -2.173 -4.038) 4.586 11.570 ( 0.000 -5.284 3.527) 6.353 12.132 ( -0.000 0.302 -1.847) 1.872 12.148 ( -0.000 -2.684 -9.283) 9.663 12.221 ( -0.000 7.831 -3.441) 8.554 12.397 ( -0.000 8.288 -5.136) 9.750 12.569 ( -0.000 1.795 -3.751) 4.159 12.602 ( -0.000 4.071 -5.481) 6.827 12.825 ( -0.000 -1.476 -3.223) 3.545 13.176 ( 0.000 -6.473 -0.259) 6.478 13.194 ( -0.000 -0.045 -0.606) 0.608 13.226 ( -0.000 -1.475 -2.722) 3.096 13.634 ( 0.000 -4.268 -2.700) 5.050 13.757 ( -0.000 1.308 -2.873) 3.156 13.938 ( -0.000 10.879 -5.714) 12.288 14.609 ( 0.000 -1.844 -0.816) 2.016 14.675 ( -0.000 0.958 -0.983) 1.373 14.820 ( 0.000 -3.474 -5.555) 6.552 15.509 ( -0.000 -0.128 -8.295) 8.296 15.673 ( -0.000 3.918 0.391) 3.937 15.837 ( 0.000 -4.182 0.437) 4.205 15.979 ( 0.000 -7.872 9.777) 12.552 16.183 ( 0.000 -1.165 5.099) 5.230 16.232 ( -0.000 5.318 2.609) 5.923 16.317 ( 0.000 0.637 12.602) 12.618 16.504 ( 0.000 -2.955 1.812) 3.466 16.852 ( 0.000 -8.703 -0.000) 8.703 17.185 ( -0.000 12.177 5.352) 13.301 17.448 ( -0.000 1.369 -3.218) 3.497 17.563 ( 0.000 -3.007 2.743) 4.070 17.609 ( 0.000 1.352 4.949) 5.131 18.276 ( -0.000 0.059 -2.944) 2.945 18.574 ( -0.000 3.447 -6.158) 7.057 18.960 ( 0.000 -2.475 0.464) 2.518 19.240 ( 0.000 4.184 11.500) 12.238 19.285 ( -0.000 4.363 4.218) 6.069 19.466 ( 0.000 -2.289 1.537) 2.757 19.719 ( 0.000 -14.088 -13.303) 19.377 20.123 ( 0.000 -13.465 -9.512) 16.486 23.067 ( 0.000 -1.239 1.862) 2.237 23.403 ( 0.000 3.044 6.256) 6.958 24.141 ( -0.000 3.570 -8.732) 9.434 24.570 ( -0.000 7.800 -7.644) 10.921 24.775 ( 0.000 -2.036 7.198) 7.481 25.075 ( 0.000 -4.847 3.483) 5.969 25.272 ( 0.000 -3.264 -1.204) 3.479 25.369 ( 0.000 -0.929 1.512) 1.775 25.766 ( 0.000 -3.115 0.299) 3.129 26.155 ( 0.000 -3.565 5.191) 6.298 26.241 ( -0.000 1.060 -0.682) 1.260 26.545 ( -0.000 -0.254 -2.465) 2.478 29.792 ( 0.000 -5.261 2.673) 5.901 30.388 ( -0.000 19.619 -3.040) 19.853 32.236 ( 0.000 -40.605 -17.303) 44.138 32.645 ( -0.000 -0.968 -19.698) 19.722 32.858 ( -0.000 -7.356 -30.785) 31.652 33.071 ( -0.000 -3.014 -12.825) 13.174 33.083 ( -0.000 2.892 -32.401) 32.530 33.377 ( -0.000 20.319 0.416) 20.323 34.091 ( 0.000 -1.948 32.688) 32.746 34.296 ( 0.000 2.659 34.144) 34.248 34.649 ( 0.000 2.855 38.880) 38.985 35.542 ( -0.000 47.149 50.782) 69.295 ======================= Grid point 25 (24/69) ======================= q-point: (-0.08 0.32 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 103 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 18.764 0.000 21.260) 28.356 2.123 ( 29.416 0.000 2.224) 29.500 3.269 ( 10.206 0.000 36.295) 37.702 3.573 ( -14.914 -0.000 8.717) 17.275 3.582 ( -6.172 -0.000 7.637) 9.819 3.768 ( -1.517 -0.000 16.897) 16.965 3.878 ( 1.573 0.000 -4.160) 4.448 4.006 ( 0.692 0.000 3.983) 4.043 4.298 ( -6.673 -0.000 12.679) 14.328 4.702 ( -11.808 -0.000 13.212) 17.719 4.807 ( -12.527 -0.000 -11.187) 16.795 4.821 ( 4.495 0.000 8.615) 9.717 5.182 ( -3.951 -0.000 -1.301) 4.159 5.242 ( 2.425 0.000 1.643) 2.929 5.661 ( 6.656 0.000 -7.213) 9.815 5.674 ( 4.407 0.000 -7.162) 8.410 5.881 ( 1.808 0.000 -17.011) 17.107 6.167 ( -6.588 -0.000 -3.253) 7.348 6.179 ( 3.776 0.000 2.959) 4.797 6.409 ( -0.238 0.000 -14.380) 14.382 6.529 ( -0.281 0.000 -4.150) 4.160 6.866 ( 5.554 0.000 2.561) 6.117 7.058 ( 9.418 0.000 7.566) 12.081 7.173 ( 2.498 0.000 3.841) 4.581 7.179 ( 6.473 0.000 8.397) 10.602 7.309 ( 5.793 0.000 6.250) 8.521 7.573 ( 3.514 0.000 9.474) 10.105 7.708 ( -8.288 -0.000 6.068) 10.272 7.714 ( -9.378 -0.000 1.654) 9.522 7.845 ( -5.370 -0.000 10.815) 12.075 7.889 ( -3.180 -0.000 8.149) 8.748 7.998 ( 6.455 0.000 14.738) 16.090 8.253 ( -7.193 -0.000 12.043) 14.028 8.404 ( 0.147 -0.000 9.498) 9.499 8.527 ( -1.019 -0.000 0.931) 1.381 8.872 ( 6.478 0.000 12.912) 14.446 9.041 ( -8.603 -0.000 8.070) 11.796 9.360 ( 1.095 0.000 -0.923) 1.432 9.505 ( 3.158 0.000 5.508) 6.349 9.580 ( 4.940 0.000 -0.373) 4.954 9.649 ( -0.395 -0.000 3.901) 3.921 9.933 ( 5.905 0.000 -1.887) 6.199 10.238 ( -0.134 -0.000 -0.031) 0.138 10.538 ( -8.630 -0.000 2.379) 8.952 11.138 ( -0.720 -0.000 -3.143) 3.224 11.182 ( 1.176 0.000 -1.472) 1.884 11.548 ( -1.298 -0.000 5.769) 5.913 11.896 ( 1.489 0.000 -14.988) 15.062 12.040 ( -1.637 -0.000 -10.026) 10.159 12.101 ( -3.412 -0.000 -14.905) 15.291 12.301 ( -7.880 -0.000 -0.098) 7.880 12.414 ( -4.574 -0.000 -12.040) 12.879 12.556 ( 4.629 0.000 -2.682) 5.350 12.617 ( -1.546 -0.000 -5.082) 5.312 12.993 ( 2.240 0.000 -3.864) 4.466 13.296 ( 0.616 0.000 1.556) 1.674 13.333 ( 1.406 0.000 -7.808) 7.933 13.507 ( 1.336 0.000 6.110) 6.255 13.520 ( -1.326 -0.000 -7.536) 7.651 13.772 ( -3.540 -0.000 -5.493) 6.535 14.671 ( 2.033 0.000 -1.198) 2.360 14.729 ( 0.631 0.000 -1.264) 1.413 15.008 ( 10.452 0.000 0.510) 10.464 15.281 ( -6.773 -0.000 -0.873) 6.829 15.708 ( -4.529 -0.000 5.175) 6.877 15.857 ( 5.580 0.000 -1.203) 5.708 16.005 ( -1.351 -0.000 1.348) 1.909 16.285 ( -0.439 -0.000 2.670) 2.706 16.310 ( -0.002 -0.000 8.164) 8.164 16.603 ( 2.347 0.000 9.034) 9.334 16.749 ( -1.207 -0.000 1.007) 1.572 16.835 ( 13.487 0.000 -0.178) 13.488 17.072 ( -13.529 -0.000 -0.354) 13.534 17.369 ( -0.175 -0.000 5.310) 5.313 17.599 ( 6.069 0.000 -3.287) 6.902 17.878 ( -11.783 -0.000 -7.298) 13.860 18.116 ( 12.075 0.000 8.812) 14.948 18.482 ( -6.791 -0.000 3.860) 7.811 19.105 ( -1.594 -0.000 -1.467) 2.167 19.274 ( -1.555 -0.000 -0.753) 1.728 19.325 ( 2.464 0.000 2.974) 3.863 19.406 ( 1.684 0.000 -1.707) 2.398 19.886 ( -4.237 -0.000 3.645) 5.590 19.889 ( 10.440 0.000 5.760) 11.924 23.235 ( 5.650 0.000 -2.180) 6.056 23.604 ( -11.583 -0.000 -6.579) 13.321 23.836 ( 12.997 0.000 8.597) 15.583 24.309 ( -18.094 -0.000 9.360) 20.371 24.883 ( 11.583 0.000 -8.767) 14.526 25.122 ( -7.139 -0.000 -6.682) 9.779 25.404 ( 5.342 0.000 4.327) 6.875 25.439 ( 1.757 0.000 2.384) 2.962 25.986 ( 4.704 0.000 0.437) 4.724 26.160 ( -0.947 -0.000 0.699) 1.177 26.379 ( -3.480 -0.000 -6.432) 7.313 26.569 ( 8.328 0.000 -16.460) 18.447 29.712 ( -1.638 -0.000 0.781) 1.815 30.748 ( 1.968 0.000 0.914) 2.170 31.573 ( -0.372 -0.000 -0.205) 0.424 32.342 ( 2.075 0.000 -14.838) 14.983 32.349 ( 0.451 0.000 -18.600) 18.606 32.554 ( -0.620 0.000 -21.965) 21.973 32.592 ( -5.075 -0.000 -17.191) 17.925 33.623 ( 2.219 0.000 -0.961) 2.419 34.756 ( 1.287 -0.000 32.877) 32.902 34.968 ( 0.256 -0.000 29.940) 29.941 35.327 ( -3.711 -0.000 31.661) 31.878 35.625 ( -18.324 -0.000 35.546) 39.991 ======================= Grid point 26 (25/69) ======================= q-point: (-0.08 0.57 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -3.227 -10.177 6.384) 12.439 2.765 ( -8.773 -18.553 2.442) 20.667 3.137 ( 8.828 15.725 8.479) 19.927 3.480 ( -0.873 7.268 -3.091) 7.946 3.656 ( -2.413 -0.850 -16.810) 17.004 4.052 ( 5.856 -3.799 -4.378) 8.240 4.181 ( -1.651 0.021 6.544) 6.749 4.284 ( -7.240 2.848 6.651) 10.235 4.467 ( 2.863 -9.685 -0.082) 10.099 4.544 ( 3.626 -18.636 -3.159) 19.247 4.750 ( -2.986 7.364 2.015) 8.198 5.096 ( -1.833 -3.480 -0.685) 3.993 5.139 ( 1.915 -2.808 -3.215) 4.679 5.208 ( 1.816 0.823 -1.765) 2.663 5.431 ( 2.028 12.179 -1.593) 12.449 5.668 ( 0.561 22.076 2.915) 22.275 5.783 ( 1.206 4.525 -0.540) 4.714 5.811 ( -0.348 -8.368 3.602) 9.117 6.070 ( -7.702 -6.298 -0.754) 9.978 6.494 ( 0.089 -15.236 -0.133) 15.237 6.610 ( -0.300 -2.975 0.383) 3.015 7.009 ( 3.964 1.762 0.843) 4.420 7.036 ( 1.833 16.503 2.231) 16.754 7.182 ( 7.828 -5.429 0.851) 9.565 7.373 ( 3.474 10.806 -2.784) 11.687 7.404 ( -0.270 -1.867 1.422) 2.363 7.564 ( 0.528 6.956 -3.494) 7.802 7.648 ( 3.260 2.891 -0.621) 4.401 7.774 ( -8.819 -5.404 4.654) 11.342 8.089 ( -7.745 1.851 -1.333) 8.074 8.448 ( 0.501 -11.939 -7.318) 14.012 8.478 ( -0.572 -6.775 5.486) 8.736 8.671 ( 2.036 4.144 -2.439) 5.222 8.754 ( -3.846 -2.387 2.852) 5.350 8.864 ( -0.709 -2.617 0.139) 2.714 9.082 ( 4.867 0.221 0.578) 4.906 9.119 ( 0.971 1.808 -1.801) 2.731 9.400 ( -1.720 -3.096 0.720) 3.614 9.518 ( -1.953 8.281 1.891) 8.716 9.653 ( 1.123 6.690 0.572) 6.808 9.883 ( 3.363 -12.615 1.412) 13.131 10.049 ( 1.244 -0.983 4.879) 5.130 10.083 ( -0.645 2.992 -5.840) 6.594 10.427 ( 5.170 10.439 -3.174) 12.074 11.085 ( -1.714 -2.188 -0.540) 2.832 11.168 ( -5.426 -0.290 2.300) 5.901 11.552 ( 0.474 -3.514 2.005) 4.074 11.628 ( -1.197 0.637 -2.917) 3.217 11.727 ( 0.225 -2.528 -1.247) 2.828 11.748 ( -0.475 -3.263 0.629) 3.357 11.969 ( 2.272 -2.837 -1.129) 3.806 12.289 ( 0.747 -1.626 -0.183) 1.799 12.386 ( -2.921 7.974 -1.746) 8.670 12.530 ( -1.435 3.667 1.381) 4.173 12.909 ( -2.138 -1.624 1.597) 3.124 13.024 ( -2.857 3.349 -1.689) 4.715 13.269 ( 0.809 -5.651 -0.511) 5.731 13.434 ( 1.281 2.580 1.445) 3.223 13.684 ( 2.489 0.031 0.034) 2.489 13.703 ( 2.397 0.715 -0.603) 2.573 14.675 ( 1.635 -0.053 0.829) 1.834 14.707 ( -1.279 0.187 -0.219) 1.311 15.238 ( -1.252 -2.294 3.912) 4.705 15.345 ( -1.166 2.153 -3.664) 4.407 15.785 ( 1.051 0.584 -1.010) 1.570 15.788 ( 0.820 0.459 1.650) 1.899 16.016 ( -0.649 -6.090 -0.807) 6.178 16.324 ( -2.022 5.719 0.578) 6.093 16.527 ( 1.935 -5.048 -0.602) 5.440 16.737 ( 4.783 -1.411 -0.276) 4.994 16.787 ( 2.683 4.220 1.015) 5.102 16.901 ( 4.447 -5.369 -0.418) 6.984 17.086 ( -9.679 -1.664 0.377) 9.829 17.395 ( -0.997 7.272 0.365) 7.349 17.583 ( -2.529 -0.437 2.000) 3.254 17.640 ( -5.203 0.505 -2.621) 5.848 18.393 ( 5.507 -1.573 3.248) 6.585 18.477 ( 5.280 2.048 -2.848) 6.339 19.094 ( -1.743 -5.124 -1.083) 5.520 19.242 ( 3.457 -1.230 -1.535) 3.978 19.375 ( -2.356 3.066 0.725) 3.934 19.403 ( -5.235 1.977 1.545) 5.805 19.956 ( 1.458 -1.541 -1.221) 2.448 20.045 ( -0.021 1.071 2.364) 2.596 23.259 ( -1.788 -1.796 1.988) 3.220 23.378 ( -1.775 3.294 -2.499) 4.499 24.204 ( 11.424 -3.658 6.070) 13.444 24.367 ( 11.768 1.840 -8.714) 14.758 24.784 ( -12.243 -0.396 7.519) 14.373 24.826 ( -9.743 1.329 -5.422) 11.229 25.511 ( 1.137 -0.368 0.716) 1.393 25.515 ( 1.229 -0.459 0.389) 1.368 26.050 ( 7.932 -1.103 2.111) 8.282 26.178 ( -2.815 -1.253 -3.193) 4.437 26.225 ( -1.987 0.294 2.633) 3.312 26.286 ( -0.313 1.877 -0.831) 2.076 29.784 ( 0.057 -7.011 -0.378) 7.022 30.410 ( -0.120 25.268 0.400) 25.272 31.981 ( -0.116 -17.684 0.031) 17.685 32.024 ( 0.448 -1.298 -0.334) 1.413 32.049 ( -0.392 -2.993 1.113) 3.217 32.117 ( 1.313 0.202 0.315) 1.365 32.232 ( -1.753 -16.811 -1.830) 17.001 33.406 ( -0.231 20.795 0.492) 20.802 35.527 ( -0.259 -1.088 0.969) 1.479 35.592 ( -0.368 1.239 -0.486) 1.381 36.002 ( -0.273 -3.094 -0.734) 3.192 36.186 ( -0.897 3.793 -2.575) 4.672 ======================= Grid point 27 (26/69) ======================= q-point: (-0.08 -0.18 0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 24.064 11.981 -6.149) 27.575 2.702 ( 9.377 26.621 -14.140) 31.568 2.902 ( -17.865 -13.927 -3.745) 22.960 3.008 ( -15.883 -14.242 -11.875) 24.416 3.703 ( 11.474 10.096 -19.686) 24.922 3.875 ( 0.537 -12.838 -14.643) 19.482 4.002 ( -2.596 2.659 -4.693) 5.986 4.083 ( -6.893 2.639 -2.789) 7.891 4.384 ( 6.245 5.644 -12.919) 15.420 4.491 ( -3.767 -16.109 -10.546) 19.619 4.595 ( 8.665 0.362 -16.977) 19.064 4.769 ( -7.575 -2.253 -10.556) 13.187 5.354 ( 0.208 7.737 8.913) 11.805 5.398 ( -4.123 -9.921 5.611) 12.121 5.557 ( 1.306 -2.581 12.228) 12.565 5.614 ( -2.466 9.639 17.378) 20.024 5.994 ( 10.526 -1.542 11.566) 15.715 6.116 ( -3.737 2.540 10.917) 11.815 6.309 ( 0.648 -0.999 2.778) 3.022 6.423 ( -8.628 -2.065 -0.085) 8.872 6.696 ( 4.057 4.462 2.335) 6.467 6.751 ( -1.344 -1.749 -1.205) 2.514 6.900 ( 9.109 5.442 -3.779) 11.264 7.067 ( -6.114 -4.438 -3.284) 8.237 7.183 ( 7.558 0.154 -7.122) 10.386 7.277 ( -2.177 1.649 -9.996) 10.362 7.345 ( 11.124 5.514 -9.011) 15.341 7.595 ( -8.407 -7.384 -2.415) 11.447 7.745 ( 2.431 -0.899 -13.870) 14.110 7.884 ( -6.063 4.412 -12.087) 14.224 8.055 ( 0.216 -1.056 -10.222) 10.279 8.112 ( -4.756 -2.403 -8.429) 9.972 8.256 ( 5.335 0.873 -8.321) 9.923 8.374 ( -6.913 -2.041 -8.124) 10.861 8.645 ( 2.863 -1.951 -13.886) 14.312 8.738 ( -6.347 4.959 -13.233) 15.492 9.123 ( 9.806 -11.688 0.769) 15.276 9.291 ( -7.188 10.584 -0.256) 12.797 9.501 ( 4.249 2.896 -2.337) 5.649 9.582 ( -4.249 -1.636 -0.012) 4.553 9.938 ( 5.384 10.265 -3.290) 12.049 9.989 ( -0.654 -8.561 -2.565) 8.961 10.106 ( 6.447 7.740 0.214) 10.075 10.243 ( -5.979 -11.864 0.825) 13.311 11.157 ( -0.070 0.331 0.077) 0.347 11.191 ( -3.360 0.556 1.439) 3.698 11.797 ( 4.264 7.448 0.687) 8.610 11.893 ( -5.244 -8.830 1.076) 10.326 11.991 ( 2.446 1.286 13.554) 13.833 12.038 ( -1.355 -3.114 14.265) 14.664 12.278 ( 5.589 -0.262 5.558) 7.886 12.356 ( -1.326 -5.271 1.376) 5.607 12.481 ( 3.178 1.048 10.346) 10.874 12.588 ( -6.836 2.238 6.966) 10.013 13.109 ( 2.639 3.952 6.370) 7.947 13.185 ( -4.902 -3.400 2.852) 6.613 13.408 ( 3.954 0.840 4.215) 5.840 13.500 ( -5.449 0.651 0.849) 5.553 13.572 ( 5.194 2.522 2.026) 6.119 13.658 ( -3.069 -3.495 1.489) 4.884 14.687 ( 1.342 1.069 0.573) 1.809 14.706 ( -0.470 -0.237 -0.005) 0.527 15.075 ( 8.982 2.455 -0.154) 9.313 15.245 ( -8.225 -1.422 1.028) 8.410 15.749 ( 4.554 -4.487 -2.399) 6.828 15.832 ( -3.930 4.711 -1.766) 6.384 16.127 ( 1.492 -4.939 -0.689) 5.205 16.167 ( -2.851 4.905 -1.299) 5.820 16.465 ( 2.464 -4.054 -8.821) 10.015 16.502 ( -1.140 4.438 -8.626) 9.767 16.769 ( 8.530 0.372 -0.346) 8.545 16.928 ( -6.900 -2.289 -1.296) 7.384 17.111 ( 4.309 1.113 -1.952) 4.860 17.223 ( -7.100 1.126 -1.866) 7.427 17.633 ( 6.790 1.369 3.605) 7.809 17.807 ( -10.678 -2.009 6.002) 12.413 18.191 ( 12.487 2.832 -8.587) 15.417 18.399 ( -7.745 -2.994 -4.944) 9.664 19.182 ( 3.121 -5.930 -1.183) 6.805 19.202 ( 4.514 2.261 0.011) 5.048 19.357 ( -1.162 -0.898 1.387) 2.020 19.443 ( -7.283 4.457 3.611) 9.271 19.848 ( 7.364 -1.476 -5.563) 9.346 19.996 ( -7.646 4.183 -2.455) 9.055 23.299 ( 6.521 3.245 1.958) 7.542 23.445 ( -8.159 -3.829 4.184) 9.937 23.941 ( 13.499 1.517 -8.036) 15.783 24.222 ( -13.915 -4.427 -8.784) 17.041 24.905 ( 10.235 1.597 8.599) 13.463 25.103 ( -9.149 -0.410 7.034) 11.548 25.437 ( 2.797 1.222 -3.807) 4.880 25.461 ( 0.177 0.609 -2.528) 2.606 26.093 ( 2.346 2.926 0.964) 3.872 26.126 ( -1.889 -1.459 -0.770) 2.508 26.373 ( 7.549 -5.544 6.487) 11.394 26.485 ( -2.984 5.228 9.226) 11.016 29.988 ( 0.498 -16.476 -0.030) 16.483 30.003 ( -0.932 16.514 -0.523) 16.549 32.357 ( 1.570 -0.087 15.372) 15.452 32.384 ( -1.116 1.646 15.344) 15.472 32.481 ( 0.286 3.185 19.335) 19.598 32.485 ( -0.093 -2.900 20.637) 20.840 32.884 ( 2.771 -32.765 1.930) 32.939 32.960 ( -4.836 30.911 5.041) 31.691 34.843 ( 1.433 4.130 -32.409) 32.703 34.876 ( -1.830 -3.750 -32.251) 32.520 35.338 ( 3.195 -0.787 -33.870) 34.030 35.435 ( -7.009 -4.930 -33.580) 34.656 ======================= Grid point 28 (27/69) ======================= q-point: (-0.08 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 27.829 10.124 -0.000) 29.613 1.684 ( 19.819 36.439 0.000) 41.480 2.361 ( 4.438 -11.426 -0.000) 12.258 2.700 ( 36.098 15.115 -0.000) 39.135 3.085 ( -10.797 -5.446 -0.000) 12.093 3.314 ( -2.368 8.929 0.000) 9.238 3.451 ( -9.823 -11.218 -0.000) 14.911 4.247 ( -13.218 -16.271 -0.000) 20.964 4.313 ( -16.006 10.206 0.000) 18.983 4.365 ( -1.368 2.215 0.000) 2.603 4.631 ( -7.933 -12.865 -0.000) 15.115 4.682 ( 1.148 -11.362 -0.000) 11.420 5.163 ( -0.030 10.884 0.000) 10.885 5.755 ( 4.273 16.039 0.000) 16.599 5.795 ( 2.519 -9.365 -0.000) 9.698 6.056 ( -0.413 13.480 0.000) 13.486 6.153 ( 7.480 6.136 0.000) 9.674 6.328 ( -0.437 8.161 0.000) 8.172 6.450 ( 13.250 -0.982 -0.000) 13.286 6.530 ( 1.360 -1.463 -0.000) 1.997 6.692 ( -7.309 -6.075 -0.000) 9.505 6.697 ( 7.983 -12.241 -0.000) 14.614 6.907 ( -3.022 -2.730 -0.000) 4.073 6.927 ( -10.325 6.860 0.000) 12.396 7.026 ( -2.854 -3.271 -0.000) 4.341 7.240 ( 0.675 -18.433 -0.000) 18.445 7.322 ( -0.504 0.912 0.000) 1.042 7.352 ( 4.629 -11.038 -0.000) 11.970 7.379 ( 2.602 -0.655 -0.000) 2.683 7.607 ( 0.006 0.995 0.000) 0.995 7.741 ( -2.214 16.664 0.000) 16.810 7.815 ( 1.470 4.858 0.000) 5.075 8.150 ( -8.644 11.951 0.000) 14.749 8.172 ( 0.181 -10.517 -0.000) 10.518 8.537 ( -12.925 -10.588 -0.000) 16.708 8.550 ( 8.112 -10.400 -0.000) 13.189 8.918 ( -2.959 14.169 0.000) 14.475 9.335 ( 9.781 4.343 -0.000) 10.702 9.481 ( 0.783 -10.572 -0.000) 10.601 9.499 ( -3.031 7.360 0.000) 7.960 9.681 ( 1.945 5.635 0.000) 5.961 10.010 ( 9.597 3.316 -0.000) 10.154 10.169 ( 1.944 -8.771 -0.000) 8.984 10.427 ( -13.501 -5.548 0.000) 14.596 11.148 ( 2.056 -1.920 -0.000) 2.813 11.295 ( -3.894 -2.810 -0.000) 4.802 11.492 ( 2.274 14.219 0.000) 14.400 12.090 ( -6.344 -5.451 -0.000) 8.365 12.268 ( -6.747 0.132 0.000) 6.748 12.345 ( 2.733 -3.414 -0.000) 4.373 12.395 ( 2.056 0.701 -0.000) 2.172 12.514 ( -2.876 -2.077 -0.000) 3.548 12.764 ( -3.952 1.148 0.000) 4.116 12.784 ( 3.652 -2.541 -0.000) 4.449 13.058 ( -1.478 6.266 0.000) 6.438 13.170 ( 3.493 -1.370 -0.000) 3.752 13.415 ( 6.813 0.260 -0.000) 6.818 13.563 ( -3.689 -1.039 0.000) 3.833 13.693 ( -2.927 3.007 0.000) 4.196 13.861 ( -2.218 -3.852 -0.000) 4.445 14.700 ( 0.514 -0.088 -0.000) 0.521 14.771 ( -0.066 -4.423 -0.000) 4.423 15.236 ( 11.445 1.764 -0.000) 11.580 15.473 ( -6.541 -1.123 0.000) 6.637 15.658 ( -5.740 5.977 0.000) 8.287 15.806 ( 4.391 -4.146 -0.000) 6.039 15.831 ( -0.105 7.882 0.000) 7.883 16.141 ( 1.809 -5.186 -0.000) 5.493 16.158 ( 0.008 3.376 0.000) 3.376 16.317 ( 1.422 -4.350 -0.000) 4.576 16.730 ( 1.894 1.325 0.000) 2.312 16.915 ( 9.303 6.626 0.000) 11.421 17.021 ( -7.071 -6.207 -0.000) 9.409 17.174 ( -5.455 0.716 0.000) 5.502 17.800 ( 11.883 2.379 -0.000) 12.118 17.812 ( 9.674 0.315 -0.000) 9.680 18.087 ( -10.477 -3.047 0.000) 10.911 18.242 ( -15.890 -3.235 0.000) 16.216 19.156 ( 1.601 2.091 0.000) 2.634 19.258 ( 3.167 -3.307 -0.000) 4.579 19.448 ( -8.581 9.966 0.000) 13.151 19.470 ( 8.701 -2.064 -0.000) 8.942 19.683 ( 15.280 -1.888 -0.000) 15.396 19.802 ( -11.714 4.490 0.000) 12.545 23.420 ( 7.044 1.023 -0.000) 7.118 23.499 ( 9.347 -2.979 -0.000) 9.810 23.863 ( -11.082 -0.262 0.000) 11.085 23.984 ( -18.780 -1.506 0.000) 18.840 25.178 ( 9.069 0.438 -0.000) 9.079 25.210 ( 7.483 1.072 -0.000) 7.559 25.309 ( 0.238 0.852 0.000) 0.885 25.348 ( -2.410 -0.226 0.000) 2.420 26.029 ( 1.120 4.529 0.000) 4.666 26.142 ( -2.479 -0.961 0.000) 2.658 26.533 ( -4.940 6.492 0.000) 8.157 27.141 ( 5.891 -33.117 -0.000) 33.637 29.732 ( 0.173 8.578 0.000) 8.579 30.385 ( -0.231 -22.311 -0.000) 22.312 32.226 ( -8.610 46.062 0.000) 46.860 32.968 ( 1.635 0.813 0.000) 1.826 33.097 ( -2.203 -2.011 -0.000) 2.983 33.346 ( -1.062 10.217 0.000) 10.272 33.452 ( 4.529 -19.710 -0.000) 20.223 33.623 ( 0.052 -4.243 -0.000) 4.243 33.681 ( 0.405 1.438 0.000) 1.494 33.795 ( -0.611 -3.815 -0.000) 3.864 33.956 ( -0.833 3.615 0.000) 3.710 34.052 ( 0.843 -1.796 -0.000) 1.984 ======================= Grid point 29 (28/69) ======================= q-point: (-0.09 0.21 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -22.357 -23.250 15.267) 35.686 1.976 ( -15.459 -21.000 37.543) 45.711 2.712 ( 5.632 5.044 32.413) 33.283 2.965 ( -8.074 -40.402 9.514) 42.285 3.185 ( 8.132 22.118 11.315) 26.141 3.599 ( -0.448 -3.893 25.950) 26.244 3.741 ( 1.883 -0.052 23.840) 23.915 3.968 ( -1.346 12.936 -5.949) 14.302 4.261 ( 0.531 9.668 7.343) 12.152 4.379 ( 1.913 16.523 -3.944) 17.094 4.476 ( 2.650 14.551 -4.648) 15.504 4.766 ( 4.271 -1.470 0.127) 4.519 5.500 ( 5.250 6.862 -0.686) 8.667 5.579 ( 7.701 -20.317 0.002) 21.728 5.778 ( -5.025 5.881 -17.421) 19.061 5.921 ( -4.340 -18.484 -8.952) 20.991 6.074 ( -7.146 14.163 -15.023) 21.849 6.395 ( 3.013 -3.631 -6.876) 8.339 6.441 ( -0.697 -6.790 -3.407) 7.629 6.500 ( 2.035 2.756 -0.347) 3.444 6.595 ( -2.549 -14.121 7.946) 16.402 6.681 ( -4.975 -0.369 0.129) 4.990 6.739 ( 1.455 11.266 -3.189) 11.799 6.939 ( -5.376 4.081 2.982) 7.379 6.975 ( -6.354 1.674 2.326) 6.970 7.198 ( 3.740 -7.167 3.703) 8.892 7.263 ( 5.566 -3.823 -6.442) 9.332 7.369 ( 0.321 1.765 20.836) 20.913 7.568 ( 1.518 4.767 7.955) 9.398 7.679 ( -1.380 -3.138 7.426) 8.179 7.931 ( -2.298 -4.437 5.411) 7.365 7.978 ( 1.586 -0.371 7.860) 8.027 8.140 ( -1.644 15.135 4.941) 16.005 8.376 ( 5.979 -3.302 12.458) 14.208 8.495 ( 4.275 -10.086 -0.264) 10.958 8.669 ( 11.645 7.567 6.918) 15.515 9.020 ( -6.241 11.621 -5.554) 14.312 9.296 ( -5.752 -0.183 6.705) 8.836 9.392 ( 1.084 -16.151 -0.982) 16.217 9.667 ( 2.166 -0.887 -0.499) 2.393 9.771 ( -5.723 -11.054 0.303) 12.451 9.926 ( -1.921 11.897 2.439) 12.296 10.028 ( -0.916 -10.157 1.330) 10.284 10.384 ( 4.421 15.559 -3.325) 16.513 11.146 ( 0.648 -1.423 1.775) 2.366 11.314 ( 4.000 0.739 -2.496) 4.772 11.716 ( -1.768 -8.992 1.625) 9.307 12.015 ( 4.624 12.741 -1.833) 13.677 12.084 ( -4.402 11.707 -1.483) 12.595 12.197 ( -3.049 3.222 -3.637) 5.736 12.267 ( -5.342 -1.584 -6.074) 8.242 12.466 ( 3.098 2.784 -6.195) 7.465 12.597 ( -3.374 1.877 -5.449) 6.678 12.819 ( 3.695 -2.010 -4.281) 6.002 13.197 ( 1.968 -2.306 -0.721) 3.117 13.235 ( 1.340 -2.785 -2.907) 4.242 13.353 ( -3.209 -4.908 1.963) 6.184 13.622 ( 6.190 -1.195 -4.334) 7.650 13.726 ( 2.077 -0.600 -5.197) 5.629 13.759 ( 0.643 6.067 -3.900) 7.241 14.676 ( -1.605 -1.197 -0.846) 2.173 14.693 ( -1.251 -0.873 -0.445) 1.589 14.973 ( -8.250 -3.170 -6.352) 10.884 15.461 ( 4.744 0.585 -7.034) 8.504 15.622 ( -3.633 5.701 1.110) 6.851 15.887 ( 4.074 -5.887 0.034) 7.159 16.078 ( -0.035 4.339 2.785) 5.156 16.149 ( 1.968 -5.333 6.603) 8.713 16.233 ( -2.718 1.044 8.332) 8.825 16.330 ( -0.311 -2.797 8.501) 8.955 16.620 ( -6.303 -1.543 0.378) 6.500 16.939 ( 0.659 11.937 3.442) 12.441 17.059 ( 1.164 -11.527 0.536) 11.598 17.352 ( 7.254 0.773 -0.041) 7.295 17.577 ( -4.519 -1.037 -1.696) 4.937 17.771 ( -10.061 -2.044 6.930) 12.387 18.161 ( 9.886 1.661 -5.189) 11.288 18.462 ( 5.835 3.570 0.841) 6.892 19.078 ( -6.197 -1.289 0.020) 6.330 19.098 ( -1.229 5.033 2.807) 5.893 19.332 ( -6.248 2.348 3.980) 7.772 19.510 ( -2.517 0.401 2.216) 3.378 19.795 ( 7.505 -6.255 -4.049) 10.576 20.181 ( 11.971 -7.583 -3.300) 14.550 23.196 ( -8.083 -1.615 -1.521) 8.382 23.441 ( -6.006 -0.286 6.546) 8.889 23.911 ( 10.169 5.884 -6.947) 13.649 24.313 ( 10.850 7.536 5.362) 14.257 24.877 ( -8.137 -2.506 -5.437) 10.102 25.228 ( -5.966 -3.167 5.945) 8.999 25.317 ( 2.526 -2.216 -2.606) 4.252 25.406 ( -0.730 -1.698 1.711) 2.519 26.060 ( -13.680 -0.215 -6.062) 14.965 26.178 ( 3.123 1.810 -0.460) 3.638 26.272 ( -3.051 0.395 2.145) 3.750 26.621 ( -4.455 -6.156 -5.396) 9.320 29.988 ( 0.295 -5.209 0.307) 5.227 30.025 ( 1.341 5.177 -1.157) 5.472 32.679 ( -0.565 -0.188 -19.459) 19.468 32.697 ( 0.058 -8.092 -16.736) 18.589 32.834 ( -2.070 31.933 -3.456) 32.187 33.004 ( 0.258 0.911 -30.610) 30.625 33.009 ( -0.103 0.265 -28.179) 28.180 33.240 ( 7.688 -24.160 -10.902) 27.598 34.150 ( -0.441 -3.784 33.641) 33.856 34.219 ( 1.239 3.861 35.591) 35.822 34.578 ( -0.566 4.597 38.658) 38.934 34.831 ( 9.445 9.819 45.759) 47.744 ======================= Grid point 30 (29/69) ======================= q-point: (-0.09 0.46 -0.66) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 4.937 -7.517 6.852) 11.307 3.048 ( 14.841 7.421 -4.477) 17.187 3.160 ( 0.581 -11.043 1.148) 11.118 3.285 ( -0.439 1.160 11.562) 11.628 3.527 ( -3.295 -1.013 -7.801) 8.529 3.744 ( -9.674 11.298 6.706) 16.316 4.242 ( 1.926 8.045 5.057) 9.696 4.354 ( -5.387 16.484 0.671) 17.355 4.386 ( 1.670 3.314 4.021) 5.472 4.513 ( 4.693 1.980 6.294) 8.097 4.799 ( -0.187 -2.835 13.430) 13.728 4.957 ( -6.860 -3.129 11.853) 14.048 5.061 ( -0.611 -8.536 -1.694) 8.724 5.171 ( -0.170 3.398 -0.544) 3.446 5.356 ( -3.756 -0.762 -13.107) 13.656 5.684 ( -4.484 -7.912 -11.744) 14.854 5.968 ( 9.573 -16.599 -3.468) 19.473 6.037 ( 9.135 9.175 -5.444) 14.045 6.226 ( 5.834 3.466 -2.934) 7.393 6.441 ( -2.544 8.683 1.869) 9.239 6.573 ( -0.859 -5.410 5.236) 7.577 6.931 ( -5.493 -5.969 0.232) 8.116 6.956 ( -7.554 1.423 0.300) 7.692 7.059 ( -9.008 5.161 -4.119) 11.169 7.234 ( 0.210 -13.800 4.713) 14.585 7.367 ( -1.387 0.963 4.288) 4.608 7.484 ( 1.849 -9.810 5.906) 11.599 7.620 ( -1.600 -5.406 -0.256) 5.644 7.920 ( -0.327 16.254 10.652) 19.436 8.115 ( 3.509 9.677 -0.417) 10.302 8.328 ( 11.375 -4.348 8.850) 15.054 8.414 ( 3.537 1.869 17.337) 17.793 8.504 ( 1.100 -0.692 9.918) 10.003 8.676 ( 1.730 -0.640 15.747) 15.855 8.771 ( 0.527 5.483 7.731) 9.493 8.867 ( -5.314 -2.390 6.725) 8.898 9.112 ( -0.389 -3.590 2.070) 4.162 9.465 ( 1.964 3.203 0.053) 3.758 9.505 ( -4.811 -1.951 1.012) 5.289 9.674 ( 0.813 -5.805 -1.083) 5.961 9.852 ( -0.213 4.695 -0.251) 4.707 9.956 ( -1.924 1.494 3.409) 4.190 10.113 ( -1.152 -0.975 -3.662) 3.961 10.201 ( -5.193 -5.245 4.329) 8.556 11.159 ( 2.801 -0.379 -1.287) 3.106 11.328 ( 4.608 0.027 0.704) 4.662 11.653 ( 0.484 -0.584 -7.253) 7.292 11.703 ( 0.460 5.335 -9.511) 10.915 11.760 ( -1.146 4.945 -3.905) 6.404 11.804 ( 0.404 4.594 -4.625) 6.532 11.992 ( -4.718 -0.325 -9.418) 10.538 12.257 ( 1.339 3.607 3.695) 5.335 12.407 ( -1.750 -7.408 -3.014) 8.187 12.656 ( 4.477 -1.774 -4.243) 6.419 13.014 ( 0.325 -1.986 -5.033) 5.420 13.163 ( 5.500 2.362 -6.109) 8.553 13.293 ( 3.486 1.678 -1.263) 4.070 13.444 ( -4.241 -3.542 -2.064) 5.898 13.582 ( -5.067 0.657 0.070) 5.110 13.626 ( -1.309 -0.517 -1.097) 1.785 14.674 ( -0.997 -0.880 -1.526) 2.024 14.727 ( 0.749 -0.615 0.294) 1.013 15.136 ( -2.358 -2.110 12.172) 12.577 15.395 ( 7.757 1.165 -0.669) 7.872 15.665 ( -4.916 0.240 3.304) 5.928 15.904 ( 1.212 -1.518 -5.487) 5.821 15.987 ( -1.407 5.349 0.977) 5.616 16.383 ( 2.820 -2.651 2.346) 4.526 16.431 ( -0.167 2.216 2.672) 3.476 16.652 ( -4.749 -0.600 0.471) 4.810 16.675 ( -3.897 -1.675 1.500) 4.499 16.847 ( -1.321 8.391 1.875) 8.699 17.253 ( 6.625 -4.081 -0.229) 7.784 17.391 ( -0.620 -4.911 1.087) 5.068 17.664 ( 7.404 -0.882 5.124) 9.047 17.865 ( 11.758 1.316 -6.749) 13.621 18.162 ( -12.494 -2.022 8.162) 15.060 18.333 ( -8.740 1.673 -4.736) 10.080 19.065 ( -3.892 0.644 -0.711) 4.009 19.202 ( 6.319 4.424 4.985) 9.184 19.422 ( -0.641 -0.782 0.526) 1.140 19.534 ( 3.700 0.516 -0.399) 3.757 19.859 ( -1.820 -2.227 2.642) 3.906 20.147 ( 2.836 -2.608 -4.904) 6.237 23.315 ( -0.225 -2.680 4.604) 5.332 23.459 ( 8.912 1.773 -6.278) 11.044 23.866 ( -12.746 -1.557 9.030) 15.697 24.136 ( -11.279 5.480 -6.233) 14.004 24.949 ( 12.797 -1.411 5.165) 13.872 25.169 ( 9.932 -0.657 -5.900) 11.571 25.462 ( -4.103 -1.025 1.016) 4.349 25.475 ( -3.248 -0.252 0.923) 3.386 25.944 ( -7.510 -0.582 -2.481) 7.931 26.155 ( 0.715 0.814 1.272) 1.671 26.285 ( 2.353 0.568 -1.062) 2.643 26.375 ( -0.689 -1.857 -6.773) 7.057 29.761 ( -0.382 7.348 1.005) 7.426 30.430 ( 0.631 -25.616 -0.588) 25.631 32.030 ( 0.372 27.648 -3.265) 27.843 32.095 ( -0.389 1.403 -8.810) 8.930 32.170 ( 0.197 0.122 -9.238) 9.241 32.179 ( -1.202 1.778 -8.934) 9.189 32.292 ( 0.924 7.989 -6.745) 10.496 33.456 ( 1.238 -20.468 -3.324) 20.773 35.379 ( 1.705 1.185 18.519) 18.635 35.405 ( -0.142 -2.109 18.249) 18.371 35.779 ( -1.092 3.256 21.142) 21.420 35.936 ( 0.015 2.127 20.912) 21.020 ======================= Grid point 31 (30/69) ======================= q-point: (-0.09 -0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -6.383 -0.000 -35.222) 35.796 2.082 ( 5.215 0.000 -20.331) 20.989 3.426 ( -20.176 -0.000 -3.120) 20.415 3.538 ( 6.628 0.000 17.844) 19.036 3.831 ( -3.238 -0.000 4.788) 5.780 3.847 ( 2.690 0.000 -16.863) 17.076 4.137 ( 3.486 0.000 -10.175) 10.755 4.160 ( 5.982 0.000 -8.250) 10.190 4.508 ( 6.815 0.000 26.153) 27.027 4.637 ( 6.283 0.000 -4.778) 7.894 4.856 ( -0.213 -0.000 1.793) 1.806 5.071 ( -2.042 -0.000 -0.898) 2.230 5.084 ( -5.866 -0.000 2.295) 6.299 5.250 ( -0.151 -0.000 2.969) 2.973 5.491 ( -4.241 -0.000 -0.071) 4.242 5.599 ( 7.038 0.000 -8.323) 10.900 5.884 ( 4.560 0.000 -6.098) 7.614 5.997 ( -1.327 -0.000 17.338) 17.389 6.147 ( -6.171 -0.000 -5.274) 8.118 6.323 ( 6.421 0.000 2.876) 7.035 6.550 ( 4.724 0.000 -1.882) 5.085 6.853 ( -2.482 -0.000 -2.219) 3.329 6.908 ( -12.510 -0.000 -2.288) 12.718 7.124 ( -6.074 -0.000 -0.188) 6.077 7.233 ( -2.116 -0.000 -5.471) 5.865 7.354 ( -5.398 -0.000 -9.697) 11.099 7.587 ( -0.509 -0.000 0.339) 0.611 7.721 ( -4.930 -0.000 -1.121) 5.056 7.931 ( 6.542 0.000 0.661) 6.575 8.038 ( 4.645 0.000 -10.204) 11.211 8.200 ( -0.421 0.000 -13.882) 13.888 8.443 ( 4.330 0.000 0.318) 4.342 8.579 ( 6.292 0.000 -21.400) 22.306 8.618 ( 0.190 0.000 -13.309) 13.310 8.721 ( 7.437 0.000 -7.091) 10.276 8.971 ( -6.477 -0.000 -8.224) 10.468 9.152 ( -1.424 -0.000 4.156) 4.393 9.359 ( 1.177 0.000 -0.079) 1.180 9.495 ( -8.742 -0.000 -5.215) 10.180 9.641 ( 3.560 0.000 -8.019) 8.774 9.740 ( 3.904 0.000 0.630) 3.954 9.840 ( -5.247 -0.000 -4.555) 6.949 10.243 ( 0.197 0.000 1.979) 1.989 10.497 ( -6.341 -0.000 6.066) 8.775 11.124 ( 3.028 0.000 1.886) 3.567 11.239 ( 4.336 0.000 -1.691) 4.654 11.590 ( 0.442 -0.000 10.378) 10.387 11.667 ( 1.466 0.000 -3.263) 3.578 11.836 ( -0.910 -0.000 11.736) 11.771 11.866 ( 1.901 0.000 11.907) 12.058 12.111 ( -1.624 -0.000 17.271) 17.347 12.400 ( 5.148 0.000 1.880) 5.481 12.560 ( 1.464 0.000 -1.681) 2.229 12.562 ( 2.358 0.000 5.218) 5.726 12.938 ( 2.440 0.000 1.547) 2.890 13.175 ( -3.067 -0.000 0.952) 3.211 13.325 ( -1.256 -0.000 8.803) 8.892 13.365 ( 5.128 0.000 -0.389) 5.142 13.587 ( -2.514 -0.000 -2.062) 3.252 13.674 ( -4.564 -0.000 4.000) 6.069 14.615 ( -2.077 -0.000 -0.793) 2.223 14.723 ( 0.287 0.000 -0.500) 0.577 15.001 ( -3.245 -0.000 -12.656) 13.065 15.454 ( 6.067 0.000 -4.230) 7.396 15.706 ( -5.706 -0.000 2.399) 6.190 15.835 ( 1.715 0.000 0.489) 1.783 16.037 ( 3.233 0.000 2.015) 3.809 16.373 ( -5.102 -0.000 -2.593) 5.723 16.395 ( 3.496 0.000 -3.778) 5.147 16.637 ( -6.740 -0.000 -1.311) 6.866 16.688 ( -3.483 -0.000 -4.919) 6.027 16.760 ( 0.475 0.000 1.426) 1.503 17.295 ( 8.334 0.000 0.869) 8.379 17.441 ( -0.162 0.000 -2.146) 2.152 17.597 ( 6.398 0.000 -4.654) 7.912 17.950 ( 10.935 0.000 7.647) 13.344 18.053 ( -12.009 -0.000 -8.212) 14.548 18.440 ( -7.450 -0.000 4.765) 8.844 19.034 ( -5.261 -0.000 -0.366) 5.273 19.283 ( 4.634 0.000 2.236) 5.145 19.433 ( 1.287 0.000 -0.279) 1.317 19.466 ( 5.314 0.000 -4.014) 6.660 19.877 ( -5.302 -0.000 -9.128) 10.556 19.961 ( 0.793 0.000 0.700) 1.058 23.207 ( 0.635 0.000 -4.270) 4.317 23.642 ( 8.001 0.000 9.305) 12.272 23.746 ( -11.522 -0.000 -7.636) 13.823 24.362 ( -10.808 -0.000 11.496) 15.779 24.884 ( 13.534 0.000 -7.977) 15.710 25.148 ( 6.319 0.000 3.640) 7.292 25.369 ( -7.034 -0.000 -4.409) 8.302 25.453 ( -1.195 -0.000 -1.933) 2.272 25.854 ( -7.032 -0.000 -0.747) 7.072 26.187 ( 0.686 0.000 0.475) 0.834 26.247 ( -0.646 -0.000 -0.692) 0.947 26.388 ( 0.320 -0.000 5.272) 5.282 29.735 ( 0.521 0.000 0.611) 0.803 30.750 ( -0.566 -0.000 -1.708) 1.799 31.572 ( 0.156 0.000 0.415) 0.443 32.086 ( -0.954 -0.000 7.893) 7.950 32.091 ( -0.029 -0.000 7.364) 7.364 32.207 ( -0.454 -0.000 11.667) 11.676 32.388 ( 3.301 0.000 13.474) 13.873 33.599 ( -0.233 -0.000 -0.459) 0.514 35.285 ( -0.267 0.000 -21.340) 21.342 35.436 ( -0.101 0.000 -17.155) 17.156 35.863 ( 1.785 0.000 -16.842) 16.937 36.309 ( 9.738 0.000 -3.401) 10.314 ======================= Grid point 33 (31/69) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 32.052 0.000 -0.000) 32.052 0.711 ( 35.833 0.000 -0.000) 35.833 1.288 ( 64.857 0.000 -0.000) 64.857 2.681 ( -1.094 -0.000 0.000) 1.094 3.130 ( 0.016 0.000 -0.000) 0.016 3.277 ( -3.289 -0.000 0.000) 3.289 3.950 ( -17.961 -0.000 0.000) 17.961 4.478 ( -7.685 -0.000 0.000) 7.685 4.524 ( -13.665 -0.000 0.000) 13.665 4.562 ( -0.730 -0.000 0.000) 0.730 4.682 ( 5.479 0.000 -0.000) 5.479 4.898 ( -2.325 -0.000 0.000) 2.325 5.130 ( -2.579 -0.000 0.000) 2.579 5.387 ( 3.296 0.000 -0.000) 3.296 5.861 ( 2.748 0.000 -0.000) 2.748 5.917 ( 0.749 0.000 -0.000) 0.749 6.022 ( 2.483 0.000 -0.000) 2.483 6.164 ( 14.577 0.000 -0.000) 14.577 6.260 ( -2.656 -0.000 0.000) 2.656 6.517 ( 0.471 0.000 -0.000) 0.471 6.628 ( 4.761 0.000 -0.000) 4.761 6.849 ( 9.852 0.000 -0.000) 9.852 6.879 ( -8.184 -0.000 0.000) 8.184 7.090 ( -8.317 -0.000 0.000) 8.317 7.242 ( -0.284 -0.000 0.000) 0.284 7.303 ( -8.394 -0.000 0.000) 8.394 7.317 ( 5.964 0.000 -0.000) 5.964 7.319 ( 7.848 0.000 -0.000) 7.848 7.456 ( -0.050 -0.000 0.000) 0.050 7.496 ( -4.332 -0.000 0.000) 4.332 7.763 ( 0.185 0.000 -0.000) 0.185 7.890 ( -12.345 -0.000 0.000) 12.345 8.157 ( -4.358 -0.000 0.000) 4.358 8.257 ( 4.300 0.000 -0.000) 4.300 8.550 ( -1.185 -0.000 0.000) 1.185 8.834 ( -0.545 -0.000 0.000) 0.545 8.936 ( -17.010 -0.000 0.000) 17.010 9.074 ( 10.790 0.000 -0.000) 10.790 9.351 ( 2.872 0.000 -0.000) 2.872 9.507 ( 5.890 0.000 -0.000) 5.890 9.693 ( 17.760 0.000 -0.000) 17.760 9.808 ( -11.426 -0.000 0.000) 11.426 10.223 ( 1.191 0.000 -0.000) 1.191 10.709 ( -9.750 -0.000 0.000) 9.750 11.148 ( 3.441 0.000 -0.000) 3.441 11.370 ( -1.570 -0.000 0.000) 1.570 11.373 ( -5.356 -0.000 0.000) 5.356 12.165 ( 0.580 0.000 -0.000) 0.580 12.268 ( 4.601 0.000 -0.000) 4.601 12.382 ( 2.801 0.000 -0.000) 2.801 12.414 ( -4.082 -0.000 0.000) 4.082 12.592 ( -2.485 -0.000 0.000) 2.485 12.744 ( 3.211 0.000 -0.000) 3.211 12.820 ( -2.525 -0.000 0.000) 2.525 13.040 ( -4.669 -0.000 0.000) 4.669 13.140 ( 0.141 0.000 -0.000) 0.141 13.303 ( 4.113 0.000 -0.000) 4.113 13.584 ( -0.867 -0.000 0.000) 0.867 13.768 ( -4.354 -0.000 0.000) 4.354 13.945 ( -1.729 -0.000 0.000) 1.729 14.693 ( 0.405 0.000 -0.000) 0.405 14.867 ( -1.439 -0.000 0.000) 1.439 14.996 ( 9.498 0.000 -0.000) 9.498 15.577 ( -3.612 -0.000 0.000) 3.612 15.705 ( -5.683 -0.000 0.000) 5.683 15.743 ( -0.160 -0.000 0.000) 0.160 15.766 ( 4.031 0.000 -0.000) 4.031 16.116 ( 0.604 0.000 -0.000) 0.604 16.144 ( 1.658 0.000 -0.000) 1.658 16.376 ( -0.428 -0.000 0.000) 0.428 16.577 ( 11.429 0.000 -0.000) 11.429 16.760 ( -1.018 -0.000 0.000) 1.018 17.163 ( -0.777 -0.000 0.000) 0.777 17.339 ( -11.654 -0.000 0.000) 11.654 17.602 ( 6.281 0.000 -0.000) 6.281 17.647 ( 7.096 0.000 -0.000) 7.096 18.353 ( -10.237 -0.000 0.000) 10.237 18.550 ( -11.783 -0.000 0.000) 11.783 19.020 ( 8.193 0.000 -0.000) 8.193 19.214 ( 6.066 0.000 -0.000) 6.066 19.361 ( -2.885 -0.000 0.000) 2.885 19.418 ( 0.113 0.000 -0.000) 0.113 19.420 ( 12.063 0.000 -0.000) 12.063 19.913 ( -5.621 -0.000 0.000) 5.621 23.307 ( 3.383 0.000 -0.000) 3.383 23.390 ( 5.295 0.000 -0.000) 5.295 24.134 ( -13.179 -0.000 0.000) 13.179 24.383 ( -18.497 -0.000 0.000) 18.497 24.981 ( 11.513 0.000 -0.000) 11.513 25.014 ( 9.614 0.000 -0.000) 9.614 25.268 ( 1.725 0.000 -0.000) 1.725 25.353 ( 0.847 0.000 -0.000) 0.847 25.928 ( 1.829 0.000 -0.000) 1.829 26.221 ( -3.539 -0.000 0.000) 3.539 26.548 ( -1.743 -0.000 0.000) 1.743 27.765 ( -7.372 -0.000 0.000) 7.372 29.656 ( -0.334 -0.000 0.000) 0.334 30.684 ( 1.663 0.000 -0.000) 1.663 31.585 ( -0.310 -0.000 0.000) 0.310 32.929 ( 1.224 0.000 -0.000) 1.224 33.171 ( 1.106 0.000 -0.000) 1.106 33.177 ( -0.941 -0.000 0.000) 0.941 33.585 ( 1.999 0.000 -0.000) 1.999 33.661 ( 0.238 0.000 -0.000) 0.238 33.675 ( -0.819 -0.000 0.000) 0.819 33.864 ( -0.448 -0.000 0.000) 0.448 33.915 ( -0.458 -0.000 0.000) 0.458 34.056 ( 0.497 0.000 -0.000) 0.497 ======================= Grid point 34 (32/69) ======================= q-point: (-0.10 0.35 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 13.418 -16.227 24.059) 31.972 1.830 ( 13.076 -33.416 16.759) 39.604 3.032 ( 12.603 -9.851 40.993) 44.004 3.451 ( -3.668 13.643 14.816) 20.472 3.688 ( -5.743 11.576 -8.076) 15.238 3.877 ( -4.131 -4.371 10.419) 12.030 4.011 ( -3.335 -3.822 14.835) 15.678 4.169 ( -1.547 -7.280 -3.572) 8.255 4.351 ( 4.841 10.826 10.441) 15.801 4.538 ( -8.049 3.852 6.429) 10.998 4.872 ( -3.555 12.551 8.426) 15.529 4.978 ( -2.335 2.783 8.546) 9.286 5.230 ( -5.986 -7.277 -4.818) 10.583 5.340 ( 2.713 -11.701 -13.689) 18.212 5.591 ( 6.087 0.524 -10.943) 12.533 5.647 ( -2.358 5.979 -1.380) 6.574 5.867 ( 1.702 -10.508 -6.385) 12.413 6.080 ( -4.356 10.650 -14.319) 18.369 6.213 ( 5.895 -4.156 -7.864) 10.671 6.479 ( -3.478 -10.596 2.501) 11.429 6.583 ( -0.075 0.485 0.295) 0.572 6.754 ( 2.246 8.313 1.747) 8.786 6.915 ( 7.802 3.420 0.116) 8.520 6.959 ( 4.522 -0.259 2.241) 5.054 7.084 ( 8.223 0.217 7.499) 11.131 7.176 ( 0.975 -3.876 7.388) 8.400 7.519 ( -3.382 18.988 9.790) 21.629 7.633 ( 5.097 1.413 -1.614) 5.530 7.784 ( 0.730 -8.359 4.448) 9.497 7.900 ( -3.377 0.453 22.942) 23.193 8.040 ( -5.141 -7.770 1.257) 9.402 8.098 ( -2.718 -2.444 24.325) 24.598 8.387 ( -4.869 7.243 4.482) 9.811 8.477 ( -7.223 -3.544 8.596) 11.774 8.640 ( 0.224 -1.614 14.754) 14.844 8.755 ( -0.069 -6.900 1.313) 7.024 9.111 ( 0.096 7.628 0.053) 7.629 9.299 ( 3.711 1.918 7.217) 8.339 9.408 ( 0.211 -1.623 1.667) 2.337 9.592 ( 5.370 -8.305 4.379) 10.816 9.659 ( 0.614 2.795 -0.934) 3.010 9.906 ( -0.275 -7.512 2.077) 7.798 10.163 ( 0.286 7.465 1.757) 7.674 10.525 ( 0.259 8.588 -5.712) 10.317 11.182 ( -3.748 -0.456 2.144) 4.341 11.237 ( -2.004 -1.960 -3.154) 4.220 11.631 ( -0.733 -4.799 3.981) 6.278 11.894 ( 0.131 -2.950 -14.382) 14.682 12.057 ( -0.128 0.275 -10.083) 10.088 12.110 ( 1.498 2.570 -11.275) 11.660 12.314 ( -0.833 8.168 -2.980) 8.734 12.443 ( 0.630 0.933 -9.724) 9.789 12.493 ( -1.628 5.160 -1.978) 5.761 12.683 ( -5.392 -1.150 -5.946) 8.109 13.031 ( -1.991 -2.938 -5.345) 6.416 13.258 ( 1.572 -0.213 4.082) 4.380 13.262 ( 6.186 -2.698 -3.874) 7.781 13.540 ( -3.683 0.008 -1.132) 3.853 13.594 ( -4.841 0.701 -9.058) 10.295 13.753 ( 1.302 4.141 -7.311) 8.502 14.629 ( 2.470 -1.009 -1.100) 2.886 14.703 ( 1.279 0.692 0.930) 1.726 14.862 ( 6.610 -3.092 3.137) 7.943 15.385 ( -4.620 0.137 0.186) 4.625 15.725 ( 4.654 2.623 -0.463) 5.362 15.826 ( -3.684 -3.060 2.619) 5.458 16.090 ( -1.842 -4.576 1.956) 5.307 16.254 ( -1.360 4.217 3.172) 5.449 16.347 ( 2.375 -3.799 6.822) 8.162 16.542 ( 2.072 2.328 8.095) 8.674 16.615 ( 5.611 -0.718 1.675) 5.899 16.856 ( 0.325 -9.133 0.502) 9.153 17.225 ( -4.472 9.314 2.008) 10.525 17.363 ( -4.461 0.984 0.994) 4.675 17.550 ( -1.159 -1.066 1.254) 2.013 17.894 ( 10.673 -0.580 7.745) 13.200 18.084 ( -9.456 1.241 -6.089) 11.315 18.494 ( 2.439 2.089 -2.789) 4.254 19.045 ( 6.691 -1.584 0.154) 6.878 19.300 ( -4.106 4.731 6.091) 8.737 19.406 ( -4.440 -2.358 -0.556) 5.058 19.456 ( -4.063 -5.751 -2.155) 7.364 19.688 ( 9.586 -0.446 7.735) 12.326 20.011 ( -3.671 -5.256 0.201) 6.414 23.163 ( 3.435 -1.343 1.475) 3.972 23.581 ( 5.404 2.610 4.714) 7.632 23.833 ( -6.988 0.578 -7.582) 10.328 24.487 ( 1.926 5.497 -3.742) 6.923 24.777 ( -6.015 -2.097 2.406) 6.810 25.216 ( -2.771 -0.965 -2.801) 4.056 25.296 ( 7.297 -2.589 5.423) 9.453 25.419 ( 1.256 -0.849 2.200) 2.672 25.904 ( 9.129 -3.483 -2.895) 10.191 26.192 ( -2.475 0.794 -0.670) 2.684 26.282 ( 7.329 0.280 -3.187) 7.997 26.475 ( -0.326 0.401 -4.704) 4.733 29.802 ( -1.075 -6.716 0.251) 6.807 30.373 ( 0.505 23.673 0.534) 23.685 32.063 ( 0.110 -34.229 -3.787) 34.438 32.314 ( 1.343 -0.648 -14.777) 14.852 32.372 ( 0.124 -3.027 -19.233) 19.470 32.534 ( 0.138 1.878 -22.957) 23.034 32.718 ( -4.852 -4.168 -16.087) 17.312 33.393 ( 0.858 20.530 0.123) 20.549 34.761 ( 0.528 -2.286 32.810) 32.894 34.949 ( -0.172 1.552 30.632) 30.671 35.355 ( -0.827 1.992 32.270) 32.342 35.904 ( -19.125 16.569 25.790) 36.131 ======================= Grid point 35 (33/69) ======================= q-point: (-0.10 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -6.675 0.000 -0.000) 6.675 2.814 ( 4.492 0.000 -0.000) 4.492 3.288 ( 12.079 0.000 -0.000) 12.079 3.321 ( -18.163 0.000 0.000) 18.163 3.728 ( -5.126 -0.000 -0.000) 5.126 3.929 ( 10.228 0.000 -0.000) 10.228 4.289 ( -2.478 0.000 -0.000) 2.478 4.403 ( -17.043 0.000 -0.000) 17.043 4.482 ( 4.926 0.000 -0.000) 4.926 4.745 ( -3.887 -0.000 -0.000) 3.887 4.823 ( 5.717 0.000 -0.000) 5.717 4.946 ( 5.466 -0.000 -0.000) 5.466 5.132 ( 2.874 0.000 -0.000) 2.874 5.162 ( 1.598 0.000 -0.000) 1.598 5.212 ( 7.326 0.000 -0.000) 7.326 5.426 ( 1.697 -0.000 -0.000) 1.697 5.714 ( -6.663 0.000 -0.000) 6.663 5.992 ( -6.458 0.000 -0.000) 6.458 6.427 ( -3.640 0.000 -0.000) 3.640 6.490 ( 1.599 -0.000 -0.000) 1.599 6.704 ( 0.878 0.000 0.000) 0.878 6.708 ( 6.187 -0.000 -0.000) 6.187 6.929 ( 3.825 0.000 -0.000) 3.825 7.134 ( 4.674 0.000 -0.000) 4.674 7.140 ( 5.063 -0.000 0.000) 5.063 7.364 ( -2.905 -0.000 0.000) 2.905 7.478 ( 1.328 -0.000 -0.000) 1.328 7.546 ( 3.147 0.000 -0.000) 3.147 8.120 ( -7.648 0.000 -0.000) 7.648 8.251 ( -14.317 0.000 -0.000) 14.317 8.498 ( 2.560 -0.000 -0.000) 2.560 8.594 ( 0.563 0.000 -0.000) 0.563 8.662 ( -1.200 0.000 -0.000) 1.200 8.801 ( -5.912 -0.000 -0.000) 5.912 8.884 ( 12.335 0.000 -0.000) 12.335 8.999 ( 1.124 0.000 -0.000) 1.124 9.026 ( 0.226 0.000 -0.000) 0.226 9.445 ( -4.389 0.000 -0.000) 4.389 9.525 ( 0.859 0.000 -0.000) 0.859 9.539 ( -0.380 -0.000 0.000) 0.380 9.907 ( 9.313 0.000 -0.000) 9.313 10.056 ( 0.331 -0.000 -0.000) 0.331 10.058 ( -0.719 0.000 -0.000) 0.719 10.168 ( 4.344 0.000 -0.000) 4.344 11.171 ( -3.296 0.000 -0.000) 3.296 11.293 ( -6.212 0.000 -0.000) 6.212 11.609 ( -1.431 0.000 -0.000) 1.431 11.627 ( -1.101 -0.000 0.000) 1.101 11.744 ( 3.167 0.000 0.000) 3.167 11.781 ( 0.013 -0.000 -0.000) 0.013 12.060 ( 0.358 -0.000 -0.000) 0.358 12.119 ( 1.148 0.000 -0.000) 1.148 12.423 ( -0.455 0.000 -0.000) 0.455 12.559 ( -5.934 0.000 -0.000) 5.934 12.960 ( -1.353 0.000 -0.000) 1.353 13.118 ( -7.569 0.000 -0.000) 7.569 13.307 ( 2.196 0.000 -0.000) 2.196 13.373 ( -1.228 -0.000 -0.000) 1.228 13.590 ( 6.556 0.000 -0.000) 6.556 13.615 ( 5.571 0.000 -0.000) 5.571 14.647 ( 1.166 0.000 -0.000) 1.166 14.721 ( -0.514 0.000 -0.000) 0.514 15.309 ( -1.405 0.000 -0.000) 1.405 15.347 ( -2.698 -0.000 0.000) 2.698 15.747 ( 1.804 0.000 0.000) 1.804 15.759 ( 1.394 0.000 -0.000) 1.394 16.117 ( 0.481 0.000 -0.000) 0.481 16.303 ( -5.739 0.000 -0.000) 5.739 16.568 ( 5.618 0.000 -0.000) 5.618 16.580 ( 5.300 -0.000 -0.000) 5.300 16.678 ( 1.287 0.000 -0.000) 1.287 17.082 ( 3.230 0.000 -0.000) 3.230 17.090 ( -6.062 -0.000 -0.000) 6.062 17.342 ( -0.831 0.000 -0.000) 0.831 17.730 ( -12.212 0.000 0.000) 12.212 17.789 ( -9.580 0.000 -0.000) 9.580 18.261 ( 12.119 -0.000 0.000) 12.119 18.264 ( 10.091 0.000 -0.000) 10.091 19.065 ( 5.396 0.000 -0.000) 5.396 19.324 ( -3.853 -0.000 -0.000) 3.853 19.458 ( -2.838 -0.000 -0.000) 2.838 19.468 ( -9.462 0.000 0.000) 9.462 19.884 ( 6.230 0.000 -0.000) 6.230 20.047 ( -0.660 0.000 -0.000) 0.660 23.341 ( -2.476 0.000 -0.000) 2.476 23.409 ( -6.957 -0.000 0.000) 6.957 23.935 ( 16.580 0.000 0.000) 16.580 24.135 ( 9.307 0.000 -0.000) 9.307 25.031 ( -11.025 0.000 -0.000) 11.025 25.059 ( -13.185 0.000 0.000) 13.185 25.460 ( 4.524 0.000 -0.000) 4.524 25.481 ( 3.023 0.000 -0.000) 3.023 25.909 ( 6.714 0.000 -0.000) 6.714 26.187 ( 1.264 0.000 -0.000) 1.264 26.278 ( -2.172 0.000 -0.000) 2.172 26.284 ( -1.076 0.000 -0.000) 1.076 29.968 ( 0.814 -0.000 -0.000) 0.814 30.042 ( -0.947 0.000 -0.000) 0.947 32.013 ( 0.492 0.000 -0.000) 0.492 32.060 ( -0.640 0.000 -0.000) 0.640 32.079 ( 0.550 0.000 -0.000) 0.550 32.121 ( -0.411 0.000 -0.000) 0.411 32.864 ( -0.411 0.000 0.000) 0.411 32.873 ( -0.744 -0.000 -0.000) 0.744 35.541 ( 0.081 0.000 -0.000) 0.081 35.604 ( -1.661 0.000 -0.000) 1.661 36.025 ( 1.383 -0.000 -0.000) 1.383 36.176 ( -2.549 0.000 -0.000) 2.549 ======================= Grid point 39 (34/69) ======================= q-point: (-0.11 0.24 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 11.367 23.072 9.176) 27.308 2.390 ( 17.056 4.734 36.977) 40.995 2.627 ( -4.562 -13.424 27.737) 31.150 2.811 ( -20.617 -20.889 7.201) 30.220 3.406 ( 21.007 9.141 -0.503) 22.915 3.535 ( -2.150 10.023 24.083) 26.174 3.670 ( 1.774 9.883 23.996) 26.012 4.019 ( -9.589 -16.666 3.907) 19.621 4.080 ( -12.596 13.894 8.033) 20.402 4.222 ( -3.761 8.359 -4.123) 10.050 4.441 ( -3.808 -17.632 -2.198) 18.172 4.807 ( 0.363 -10.067 2.217) 10.315 5.204 ( 7.346 9.113 0.151) 11.707 5.583 ( -2.867 18.077 -15.397) 23.918 5.798 ( 4.151 -12.222 -5.035) 13.854 6.054 ( 0.623 10.760 -5.652) 12.170 6.136 ( -5.722 8.095 -10.998) 14.806 6.218 ( 6.765 0.912 -4.817) 8.354 6.342 ( -1.190 -7.538 -10.957) 13.353 6.551 ( 1.882 -4.611 -9.789) 10.983 6.630 ( -1.294 -0.583 -1.842) 2.325 6.845 ( -4.626 0.485 13.083) 13.885 6.961 ( -0.805 -2.862 4.264) 5.198 6.987 ( 3.040 -1.118 7.117) 7.819 7.155 ( -3.171 -8.172 5.095) 10.139 7.209 ( 0.999 -6.582 11.264) 13.084 7.285 ( 3.156 -10.626 1.688) 11.212 7.352 ( 8.267 -3.702 3.001) 9.542 7.484 ( -7.774 4.788 6.311) 11.099 7.717 ( -0.601 0.810 8.435) 8.495 7.854 ( -0.446 12.531 -2.240) 12.737 7.918 ( 1.971 1.537 6.470) 6.936 8.084 ( -0.618 5.438 6.979) 8.869 8.201 ( 1.848 -3.601 5.903) 7.158 8.528 ( 0.008 -8.806 13.114) 15.796 8.683 ( 6.223 -4.735 -0.424) 7.831 8.845 ( -5.906 11.651 0.427) 13.070 9.405 ( -3.638 -0.806 3.593) 5.177 9.518 ( 4.975 3.523 0.769) 6.144 9.577 ( 5.672 -5.604 -0.229) 7.977 9.727 ( 1.104 8.015 1.396) 8.211 10.092 ( 0.710 3.271 -2.647) 4.268 10.153 ( -5.569 -8.207 1.553) 10.039 10.233 ( -3.933 -4.838 -0.423) 6.250 11.180 ( 1.996 -0.990 -2.326) 3.221 11.243 ( 0.838 -3.206 0.304) 3.328 11.600 ( 4.756 14.963 2.455) 15.892 11.951 ( -5.905 -5.589 -1.137) 8.210 12.079 ( -10.924 5.718 -0.338) 12.334 12.249 ( -4.098 0.077 -6.684) 7.840 12.361 ( 3.041 1.697 -8.475) 9.162 12.401 ( -5.278 -1.355 -4.119) 6.831 12.646 ( -3.572 0.209 -3.751) 5.183 12.779 ( 4.901 -2.393 -6.670) 8.616 13.117 ( 4.354 2.824 1.627) 5.439 13.286 ( 3.458 -4.490 -1.838) 5.958 13.462 ( -1.507 -2.404 0.202) 2.845 13.531 ( 4.677 -0.280 -2.005) 5.096 13.616 ( 0.589 5.046 -4.657) 6.892 13.773 ( -1.837 -3.308 -5.447) 6.632 14.702 ( 0.288 -0.449 -0.393) 0.663 14.742 ( -0.721 -2.113 -1.035) 2.461 15.206 ( -9.577 -1.841 -7.773) 12.471 15.312 ( 8.688 1.395 -7.768) 11.738 15.583 ( -3.955 5.169 2.594) 7.007 15.905 ( 4.516 -4.310 0.658) 6.277 15.970 ( 1.015 4.651 7.092) 8.541 16.181 ( -1.682 2.553 4.583) 5.509 16.243 ( 1.764 -2.899 3.448) 4.838 16.417 ( 1.102 -3.935 9.347) 10.201 16.723 ( -2.184 4.397 0.199) 4.913 16.839 ( -9.457 0.461 1.212) 9.546 17.109 ( 9.615 0.370 -0.943) 9.669 17.228 ( 3.185 -3.296 4.953) 6.749 17.763 ( -10.137 -2.292 -5.901) 11.952 17.896 ( 11.067 1.133 -6.320) 12.795 18.072 ( -13.547 -2.569 8.652) 16.278 18.211 ( 12.145 2.599 7.956) 14.750 19.090 ( -5.647 3.543 -1.122) 6.760 19.210 ( -6.592 1.580 0.007) 6.779 19.381 ( 2.162 -1.650 -0.871) 2.855 19.542 ( -1.647 1.662 -2.379) 3.337 19.738 ( 3.092 -1.047 3.937) 5.115 20.024 ( 14.361 -3.160 2.182) 14.865 23.428 ( -10.290 -3.598 -4.240) 11.696 23.495 ( 7.682 -0.187 -4.884) 9.105 23.782 ( -13.112 2.197 7.151) 15.096 23.957 ( 12.443 4.697 8.687) 15.885 25.103 ( -9.232 -1.452 -8.078) 12.353 25.225 ( 7.558 -0.119 -5.593) 9.403 25.374 ( -2.790 -0.911 4.782) 5.611 25.410 ( 2.898 -0.094 3.511) 4.554 26.076 ( 3.273 2.091 0.110) 3.885 26.153 ( 2.736 -1.426 -0.225) 3.094 26.339 ( -11.097 5.407 -1.997) 12.504 26.911 ( -4.308 -12.340 -15.183) 20.033 29.747 ( 0.038 8.664 0.416) 8.674 30.403 ( 1.350 -25.472 0.480) 25.512 32.104 ( -1.426 40.352 -1.665) 40.412 32.724 ( 1.533 0.353 -18.743) 18.809 32.772 ( -2.617 -1.721 -20.361) 20.600 32.905 ( -0.070 5.011 -26.801) 27.266 33.083 ( -0.025 -3.037 -31.255) 31.402 33.551 ( 6.414 -18.999 -3.528) 20.360 34.131 ( 1.544 1.911 33.996) 34.085 34.254 ( -1.078 -5.144 35.174) 35.564 34.515 ( -3.580 5.182 40.496) 40.983 34.677 ( 0.801 -0.221 38.930) 38.938 ======================= Grid point 40 (35/69) ======================= q-point: (-0.11 0.49 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 12.621 0.000 17.023) 21.191 2.427 ( 20.206 0.000 -16.103) 25.838 3.388 ( 0.588 0.000 3.936) 3.980 3.450 ( -8.873 -0.000 12.002) 14.926 3.801 ( -9.817 -0.000 -21.036) 23.214 3.841 ( -11.612 -0.000 8.750) 14.540 3.992 ( -0.078 -0.000 11.723) 11.724 4.292 ( 4.377 0.000 9.051) 10.054 4.294 ( 1.415 0.000 -4.666) 4.876 4.353 ( 0.931 0.000 7.269) 7.328 4.894 ( -5.842 -0.000 13.830) 15.013 5.022 ( 7.976 0.000 -6.644) 10.381 5.145 ( -6.177 -0.000 5.588) 8.329 5.210 ( -0.679 -0.000 -6.388) 6.424 5.502 ( -4.434 -0.000 -2.609) 5.145 5.712 ( 8.967 0.000 -4.574) 10.066 5.864 ( -8.660 -0.000 -0.471) 8.673 5.941 ( 8.333 0.000 0.644) 8.358 6.218 ( 4.795 0.000 -10.520) 11.561 6.284 ( 0.902 0.000 1.299) 1.582 6.536 ( 3.418 0.000 0.817) 3.515 7.008 ( -2.139 -0.000 2.887) 3.593 7.161 ( -6.923 -0.000 -3.735) 7.866 7.254 ( -2.507 -0.000 -0.628) 2.585 7.335 ( 1.729 0.000 4.150) 4.496 7.396 ( -2.814 -0.000 5.357) 6.051 7.603 ( -3.655 -0.000 2.572) 4.470 7.613 ( 1.798 0.000 -1.569) 2.387 7.915 ( -10.191 -0.000 13.717) 17.088 7.930 ( 5.501 0.000 -3.225) 6.377 8.072 ( 11.621 0.000 16.639) 20.296 8.338 ( -0.030 -0.000 6.348) 6.348 8.575 ( 5.135 0.000 22.099) 22.687 8.585 ( -2.294 -0.000 6.111) 6.527 8.673 ( 2.571 0.000 12.925) 13.178 9.016 ( -6.276 -0.000 5.290) 8.208 9.175 ( 0.941 0.000 2.903) 3.052 9.346 ( 2.300 0.000 -1.913) 2.992 9.605 ( -2.836 -0.000 4.935) 5.692 9.693 ( 5.469 0.000 2.275) 5.923 9.750 ( 0.800 0.000 0.546) 0.969 9.967 ( 0.847 0.000 2.578) 2.714 10.177 ( -3.145 -0.000 -3.869) 4.986 10.440 ( -10.077 -0.000 5.770) 11.612 11.120 ( 3.745 0.000 -2.830) 4.695 11.191 ( 4.537 0.000 -2.159) 5.025 11.626 ( -0.293 -0.000 1.657) 1.683 11.642 ( 0.975 0.000 -11.542) 11.584 11.757 ( -1.957 -0.000 -9.107) 9.315 11.799 ( -2.189 -0.000 -9.259) 9.514 12.084 ( -3.930 -0.000 -11.370) 12.029 12.209 ( -1.894 -0.000 2.388) 3.048 12.518 ( -0.876 -0.000 -2.773) 2.908 12.594 ( 3.933 0.000 -2.365) 4.589 12.972 ( 5.249 0.000 -6.139) 8.078 13.126 ( -1.933 -0.000 -6.244) 6.537 13.215 ( -0.394 -0.000 -2.853) 2.880 13.513 ( 1.891 0.000 -3.904) 4.338 13.638 ( -1.279 -0.000 4.119) 4.313 13.678 ( -3.443 -0.000 2.565) 4.293 14.700 ( 0.007 0.000 -1.382) 1.382 14.706 ( 1.052 0.000 -0.006) 1.052 15.226 ( -4.808 -0.000 8.060) 9.386 15.227 ( 7.829 0.000 1.721) 8.016 15.734 ( -3.310 -0.000 4.372) 5.483 15.888 ( 2.891 0.000 -4.999) 5.775 15.960 ( -1.297 -0.000 -1.318) 1.849 16.362 ( 3.142 0.000 2.140) 3.802 16.418 ( -2.550 -0.000 4.725) 5.369 16.704 ( -1.564 -0.000 2.094) 2.613 16.822 ( -11.002 -0.000 -0.052) 11.002 16.823 ( 0.284 0.000 3.160) 3.173 17.086 ( 12.486 0.000 -0.482) 12.496 17.449 ( 0.104 -0.000 2.422) 2.424 17.623 ( -2.097 -0.000 -1.085) 2.361 17.653 ( 7.882 0.000 -4.975) 9.321 18.399 ( 1.425 0.000 1.289) 1.922 18.416 ( -9.997 -0.000 5.780) 11.547 19.023 ( 0.428 0.000 0.320) 0.534 19.205 ( -5.602 -0.000 0.885) 5.671 19.430 ( 4.453 0.000 0.688) 4.506 19.433 ( 3.415 0.000 -1.949) 3.932 19.899 ( -1.735 -0.000 3.036) 3.497 20.092 ( 4.965 0.000 -0.958) 5.057 23.294 ( 5.781 0.000 -3.360) 6.687 23.384 ( -3.778 -0.000 0.295) 3.790 24.171 ( -16.578 -0.000 11.250) 20.035 24.203 ( 2.611 0.000 2.758) 3.798 24.824 ( -1.574 -0.000 -3.769) 4.084 24.949 ( 12.813 0.000 -8.469) 15.359 25.504 ( 0.413 0.000 1.147) 1.220 25.507 ( -0.100 -0.000 1.014) 1.019 26.075 ( -1.415 -0.000 -0.017) 1.415 26.140 ( -2.583 -0.000 -0.884) 2.730 26.236 ( 1.632 0.000 -0.454) 1.694 26.395 ( 0.776 0.000 -8.939) 8.973 29.705 ( -0.766 -0.000 0.966) 1.233 30.789 ( 1.253 0.000 -0.237) 1.275 31.564 ( -0.203 -0.000 -0.083) 0.219 32.088 ( -0.065 0.000 -8.505) 8.505 32.143 ( 1.482 0.000 -9.161) 9.280 32.223 ( -2.929 -0.000 -9.678) 10.111 32.245 ( 0.492 0.000 -10.380) 10.392 33.630 ( 1.367 0.000 -1.742) 2.214 35.324 ( 1.857 0.000 19.872) 19.958 35.438 ( -0.129 -0.000 16.718) 16.718 35.761 ( -2.077 -0.000 19.512) 19.622 35.984 ( -4.610 -0.000 21.265) 21.759 ======================= Grid point 41 (36/69) ======================= q-point: (-0.11 -0.26 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -10.889 -10.707 -0.365) 15.276 2.442 ( -8.395 -27.585 -22.677) 36.683 3.162 ( 6.969 19.789 7.458) 22.266 3.488 ( 5.328 11.892 -4.693) 13.850 3.914 ( 10.427 -2.693 -0.451) 10.779 3.990 ( -15.476 0.113 -9.245) 18.028 4.095 ( 4.682 -7.355 -8.383) 12.095 4.169 ( 3.834 -1.833 7.276) 8.426 4.367 ( -0.905 -5.873 -8.458) 10.337 4.615 ( -2.253 -4.587 1.329) 5.281 4.832 ( 3.679 -1.419 5.230) 6.550 5.060 ( 0.753 0.801 -7.792) 7.870 5.170 ( -0.222 -1.719 4.905) 5.202 5.187 ( 5.610 2.380 -4.715) 7.705 5.462 ( -2.003 5.784 7.555) 9.724 5.666 ( -1.971 13.195 -2.680) 13.608 5.776 ( 0.991 -9.893 1.641) 10.077 5.893 ( -9.283 9.409 10.645) 16.971 6.103 ( 8.605 -4.174 3.701) 10.255 6.453 ( 0.578 -14.601 -3.901) 15.125 6.583 ( -0.146 -2.239 -1.665) 2.794 6.927 ( -6.336 1.091 -4.918) 8.095 7.039 ( -2.535 16.207 0.048) 16.404 7.184 ( -10.210 -4.060 0.353) 10.993 7.316 ( 0.148 0.621 -6.202) 6.235 7.356 ( -2.035 5.676 -4.567) 7.565 7.578 ( 1.857 7.154 -2.495) 7.801 7.692 ( -4.989 9.306 3.907) 11.259 7.747 ( 6.150 -8.924 0.260) 10.841 8.048 ( 7.455 -1.229 -7.825) 10.877 8.202 ( 4.915 -7.367 -17.545) 19.653 8.458 ( 0.679 -7.778 -6.611) 10.231 8.507 ( 0.865 3.572 -15.209) 15.646 8.578 ( -0.727 1.268 -18.034) 18.093 8.742 ( 2.081 -10.280 -4.796) 11.533 9.020 ( -4.200 5.671 -7.493) 10.293 9.126 ( 1.319 1.183 -2.693) 3.223 9.391 ( 1.288 -2.430 0.323) 2.769 9.464 ( -2.796 7.119 -2.415) 8.020 9.643 ( -0.894 4.490 -0.786) 4.646 9.810 ( -4.482 -11.890 -5.776) 13.958 9.978 ( -2.057 -4.535 -1.234) 5.130 10.164 ( 1.216 5.795 1.516) 6.112 10.462 ( 1.513 10.227 0.427) 10.347 11.112 ( 2.795 -2.826 0.956) 4.088 11.167 ( 0.516 0.146 1.860) 1.936 11.633 ( -2.626 -1.917 9.940) 10.458 11.709 ( 0.854 -6.702 -0.725) 6.794 11.773 ( 2.953 2.037 10.633) 11.222 11.876 ( 1.749 -1.964 10.548) 10.871 12.133 ( 0.256 -1.046 13.448) 13.491 12.294 ( 1.029 1.699 0.740) 2.120 12.458 ( 4.746 3.784 4.956) 7.836 12.510 ( -1.465 4.424 -0.374) 4.675 12.933 ( -0.843 -2.271 3.855) 4.554 13.123 ( 4.880 3.832 7.486) 9.723 13.319 ( 0.634 -5.209 4.345) 6.812 13.418 ( -4.647 1.972 0.195) 5.052 13.633 ( -1.838 -0.274 -4.974) 5.310 13.702 ( -0.014 1.596 -0.087) 1.598 14.665 ( -2.177 -0.465 -0.110) 2.228 14.712 ( 0.631 0.332 0.274) 0.764 15.114 ( -5.775 -2.089 -6.986) 9.302 15.319 ( 6.404 1.543 -4.315) 7.875 15.797 ( -4.135 1.070 1.970) 4.704 15.806 ( 1.931 -1.061 -0.736) 2.323 16.038 ( 1.843 -5.194 1.477) 5.705 16.290 ( 0.732 5.361 -2.578) 5.994 16.496 ( -0.723 -5.204 -4.001) 6.604 16.722 ( -3.212 5.108 -4.171) 7.335 16.742 ( -4.149 -2.543 -1.115) 4.992 16.904 ( -4.749 -4.981 -0.092) 6.883 17.078 ( 9.935 -1.586 -0.377) 10.068 17.368 ( 0.486 7.099 -2.274) 7.470 17.569 ( -2.140 -0.844 0.777) 2.428 17.727 ( 9.208 1.478 5.744) 10.953 18.294 ( -9.962 -1.949 -6.651) 12.136 18.501 ( 0.520 2.068 -0.500) 2.191 19.120 ( 1.245 -4.297 1.413) 4.692 19.278 ( -0.583 -2.032 2.174) 3.032 19.342 ( 0.876 4.146 -2.715) 5.033 19.383 ( 3.153 0.726 -0.270) 3.247 19.954 ( -1.778 -0.902 -1.749) 2.652 19.985 ( -1.689 -0.457 -3.465) 3.882 23.235 ( -2.228 -1.772 -0.334) 2.866 23.445 ( 6.413 3.989 4.223) 8.653 24.048 ( -14.288 -3.575 -8.687) 17.100 24.436 ( 7.768 2.977 -3.957) 9.212 24.735 ( -4.794 -0.977 4.589) 6.708 24.968 ( 10.966 0.877 7.942) 13.568 25.479 ( -2.807 -0.663 -2.485) 3.807 25.491 ( -1.575 -0.780 -1.901) 2.589 26.024 ( -6.648 -2.387 -0.456) 7.078 26.176 ( 0.561 0.861 -1.882) 2.145 26.257 ( 0.864 -1.445 5.352) 5.610 26.357 ( 0.463 2.300 5.420) 5.906 29.786 ( 0.718 -7.063 -0.152) 7.101 30.400 ( -0.630 25.074 -0.600) 25.089 32.016 ( -0.300 -27.004 2.553) 27.126 32.104 ( 0.038 -1.424 8.371) 8.492 32.119 ( -1.498 -1.365 8.086) 8.336 32.213 ( -0.896 0.592 10.509) 10.564 32.349 ( 4.580 -9.409 10.115) 14.554 33.406 ( -0.787 20.745 0.460) 20.765 35.313 ( -1.016 -1.738 -20.201) 20.301 35.424 ( 0.618 1.495 -17.404) 17.479 35.831 ( 1.335 -1.718 -17.847) 17.979 36.056 ( 7.354 5.466 -15.933) 18.380 ======================= Grid point 42 (37/69) ======================= q-point: (-0.12 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -0.000 0.000 -34.865) 34.865 1.489 ( -0.000 0.000 -37.125) 37.125 2.760 ( -0.000 0.000 -46.135) 46.135 3.609 ( -0.000 0.000 -14.939) 14.939 3.836 ( 0.000 -0.000 14.885) 14.885 3.872 ( -0.000 0.000 -19.878) 19.878 4.015 ( -0.000 0.000 -15.669) 15.669 4.132 ( 0.000 -0.000 17.242) 17.242 4.558 ( -0.000 0.000 -17.033) 17.033 4.653 ( -0.000 0.000 -7.802) 7.802 4.860 ( 0.000 -0.000 5.347) 5.347 5.112 ( -0.000 0.000 -17.879) 17.879 5.171 ( 0.000 -0.000 12.817) 12.817 5.206 ( 0.000 -0.000 8.747) 8.747 5.547 ( 0.000 -0.000 11.175) 11.175 5.679 ( 0.000 -0.000 6.604) 6.604 5.821 ( -0.000 0.000 -2.778) 2.778 6.009 ( 0.000 -0.000 1.816) 1.816 6.372 ( -0.000 0.000 -1.543) 1.543 6.405 ( 0.000 -0.000 19.053) 19.053 6.611 ( -0.000 0.000 -7.058) 7.058 6.713 ( 0.000 -0.000 9.223) 9.223 6.891 ( -0.000 0.000 -7.132) 7.132 6.991 ( -0.000 0.000 -4.328) 4.328 7.013 ( -0.000 0.000 -0.427) 0.427 7.069 ( -0.000 0.000 -9.968) 9.968 7.507 ( -0.000 0.000 -6.597) 6.597 7.697 ( 0.000 -0.000 4.144) 4.144 7.838 ( -0.000 0.000 -21.555) 21.555 7.847 ( -0.000 0.000 -12.450) 12.450 7.993 ( 0.000 -0.000 1.051) 1.051 8.160 ( -0.000 0.000 -24.650) 24.650 8.469 ( 0.000 -0.000 0.928) 0.928 8.567 ( -0.000 0.000 -21.324) 21.324 8.622 ( -0.000 0.000 -13.437) 13.437 8.638 ( 0.000 -0.000 5.078) 5.078 9.235 ( -0.000 0.000 -9.213) 9.213 9.244 ( 0.000 -0.000 5.351) 5.351 9.352 ( -0.000 0.000 -1.082) 1.082 9.548 ( -0.000 0.000 -9.463) 9.463 9.618 ( -0.000 0.000 -6.340) 6.340 9.866 ( 0.000 -0.000 3.302) 3.302 10.236 ( -0.000 0.000 -1.710) 1.710 10.572 ( 0.000 -0.000 8.565) 8.565 11.223 ( 0.000 -0.000 4.192) 4.192 11.231 ( -0.000 0.000 -3.359) 3.359 11.611 ( -0.000 0.000 -4.399) 4.399 11.864 ( 0.000 -0.000 14.936) 14.936 12.037 ( 0.000 -0.000 8.301) 8.301 12.132 ( 0.000 -0.000 12.553) 12.553 12.414 ( 0.000 -0.000 12.612) 12.612 12.457 ( -0.000 0.000 -0.050) 0.050 12.573 ( 0.000 -0.000 1.808) 1.808 12.721 ( 0.000 -0.000 5.435) 5.435 13.078 ( 0.000 -0.000 7.058) 7.058 13.101 ( 0.000 -0.000 0.260) 0.260 13.239 ( -0.000 0.000 -3.170) 3.170 13.572 ( 0.000 -0.000 0.588) 0.588 13.694 ( 0.000 -0.000 4.894) 4.894 13.767 ( 0.000 -0.000 18.561) 18.561 14.579 ( 0.000 -0.000 0.014) 0.014 14.708 ( -0.000 0.000 -0.859) 0.859 14.747 ( -0.000 0.000 -5.716) 5.716 15.430 ( -0.000 0.000 -1.506) 1.506 15.697 ( 0.000 -0.000 1.649) 1.649 15.842 ( -0.000 0.000 -2.519) 2.519 16.064 ( -0.000 0.000 -4.632) 4.632 16.245 ( -0.000 0.000 -3.600) 3.600 16.361 ( -0.000 0.000 -3.616) 3.616 16.516 ( -0.000 0.000 -3.339) 3.339 16.529 ( -0.000 0.000 -8.355) 8.355 16.786 ( 0.000 -0.000 0.176) 0.176 17.398 ( -0.000 0.000 -2.247) 2.247 17.405 ( 0.000 -0.000 2.361) 2.361 17.608 ( -0.000 0.000 -5.370) 5.370 17.734 ( -0.000 0.000 -6.403) 6.403 18.201 ( 0.000 -0.000 4.678) 4.678 18.479 ( 0.000 -0.000 7.620) 7.620 18.950 ( -0.000 0.000 -1.050) 1.050 19.364 ( 0.000 -0.000 1.080) 1.080 19.440 ( -0.000 0.000 -0.372) 0.372 19.453 ( -0.000 0.000 -5.341) 5.341 19.552 ( -0.000 0.000 -14.206) 14.206 19.983 ( -0.000 0.000 -0.006) 0.006 23.112 ( -0.000 0.000 -4.153) 4.153 23.520 ( -0.000 0.000 -4.232) 4.232 23.967 ( 0.000 -0.000 11.419) 11.419 24.457 ( 0.000 -0.000 10.774) 10.774 24.914 ( -0.000 0.000 -8.160) 8.160 25.133 ( -0.000 0.000 -6.609) 6.609 25.221 ( 0.000 -0.000 0.828) 0.828 25.403 ( -0.000 0.000 -2.337) 2.337 25.749 ( -0.000 0.000 -1.077) 1.077 26.188 ( -0.000 0.000 -2.047) 2.047 26.229 ( 0.000 -0.000 1.430) 1.430 26.484 ( 0.000 -0.000 4.082) 4.082 29.756 ( 0.000 -0.000 0.729) 0.729 30.707 ( -0.000 0.000 -1.763) 1.763 31.582 ( 0.000 -0.000 0.328) 0.328 32.294 ( 0.000 -0.000 14.576) 14.576 32.339 ( 0.000 -0.000 18.093) 18.093 32.550 ( 0.000 -0.000 23.609) 23.609 32.746 ( 0.000 -0.000 17.632) 17.632 33.585 ( -0.000 0.000 -0.568) 0.568 34.735 ( -0.000 0.000 -32.838) 32.838 34.962 ( -0.000 0.000 -29.950) 29.950 35.389 ( -0.000 0.000 -32.139) 32.139 36.408 ( -0.000 0.000 -3.433) 3.433 ======================= Grid point 43 (38/69) ======================= q-point: (-0.12 0.12 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 0.000 -29.511 -0.000) 29.511 0.628 ( 0.000 -33.681 -0.000) 33.681 1.457 ( 0.000 -73.956 -0.000) 73.956 2.566 ( -0.000 10.690 0.000) 10.690 3.182 ( 0.000 -5.023 -0.000) 5.023 3.372 ( 0.000 -4.668 -0.000) 4.668 3.845 ( -0.000 29.895 0.000) 29.895 4.310 ( -0.000 11.336 0.000) 11.336 4.404 ( -0.000 8.670 0.000) 8.670 4.668 ( -0.000 0.898 0.000) 0.898 4.918 ( -0.000 21.827 0.000) 21.827 4.921 ( -0.000 3.185 0.000) 3.185 5.053 ( 0.000 -28.116 -0.000) 28.116 5.553 ( 0.000 -16.797 -0.000) 16.797 5.760 ( -0.000 12.886 0.000) 12.886 5.981 ( -0.000 0.920 0.000) 0.920 6.065 ( 0.000 -16.053 -0.000) 16.053 6.112 ( 0.000 -11.434 -0.000) 11.434 6.342 ( 0.000 -3.755 -0.000) 3.755 6.475 ( -0.000 3.560 0.000) 3.560 6.627 ( -0.000 6.452 0.000) 6.452 6.648 ( 0.000 -11.281 -0.000) 11.281 7.004 ( 0.000 -1.119 -0.000) 1.119 7.046 ( -0.000 8.963 0.000) 8.963 7.171 ( -0.000 5.314 0.000) 5.314 7.203 ( -0.000 15.469 0.000) 15.469 7.236 ( -0.000 13.867 0.000) 13.867 7.298 ( 0.000 -5.493 -0.000) 5.493 7.479 ( 0.000 -1.062 -0.000) 1.062 7.549 ( 0.000 -8.843 -0.000) 8.843 7.738 ( 0.000 -0.461 -0.000) 0.461 7.841 ( -0.000 4.201 0.000) 4.201 8.096 ( 0.000 -2.954 -0.000) 2.954 8.316 ( 0.000 -10.673 -0.000) 10.673 8.492 ( -0.000 11.542 0.000) 11.542 9.008 ( 0.000 -6.119 -0.000) 6.119 9.022 ( 0.000 -17.755 -0.000) 17.755 9.144 ( -0.000 9.180 0.000) 9.180 9.205 ( -0.000 12.292 0.000) 12.292 9.437 ( 0.000 -10.339 -0.000) 10.339 9.577 ( 0.000 -8.778 -0.000) 8.778 9.942 ( 0.000 -0.713 -0.000) 0.713 10.098 ( -0.000 9.364 0.000) 9.364 10.821 ( -0.000 14.151 0.000) 14.151 11.105 ( 0.000 -0.099 -0.000) 0.099 11.397 ( 0.000 -0.427 -0.000) 0.427 11.522 ( 0.000 -7.935 -0.000) 7.935 12.147 ( -0.000 0.034 0.000) 0.034 12.242 ( 0.000 -2.298 -0.000) 2.298 12.248 ( -0.000 9.538 0.000) 9.538 12.510 ( -0.000 14.633 0.000) 14.633 12.608 ( -0.000 1.467 0.000) 1.467 12.663 ( -0.000 3.235 0.000) 3.235 12.860 ( 0.000 -1.322 -0.000) 1.322 13.164 ( 0.000 -2.015 -0.000) 2.015 13.172 ( 0.000 -7.045 -0.000) 7.045 13.268 ( 0.000 -0.520 -0.000) 0.520 13.687 ( 0.000 -3.511 -0.000) 3.511 13.786 ( -0.000 1.253 0.000) 1.253 13.913 ( -0.000 4.807 0.000) 4.807 14.620 ( 0.000 -1.638 -0.000) 1.638 14.684 ( -0.000 0.184 0.000) 0.184 14.915 ( 0.000 -1.913 -0.000) 1.913 15.627 ( 0.000 -0.647 -0.000) 0.647 15.668 ( -0.000 4.661 0.000) 4.661 15.846 ( 0.000 -9.629 -0.000) 9.629 15.863 ( 0.000 -3.528 -0.000) 3.528 16.114 ( -0.000 1.868 0.000) 1.868 16.141 ( 0.000 -3.096 -0.000) 3.096 16.207 ( -0.000 5.136 0.000) 5.136 16.487 ( 0.000 -2.787 -0.000) 2.787 16.856 ( 0.000 -8.878 -0.000) 8.878 17.098 ( -0.000 7.591 0.000) 7.591 17.507 ( -0.000 2.175 0.000) 2.175 17.534 ( -0.000 0.638 0.000) 0.638 17.537 ( 0.000 -2.762 -0.000) 2.762 18.307 ( -0.000 0.078 0.000) 0.078 18.651 ( -0.000 2.877 0.000) 2.877 18.955 ( 0.000 -2.754 -0.000) 2.754 19.107 ( -0.000 3.658 0.000) 3.658 19.237 ( -0.000 4.158 0.000) 4.158 19.451 ( 0.000 -2.009 -0.000) 2.009 19.868 ( 0.000 -2.729 -0.000) 2.729 20.454 ( -0.000 0.112 0.000) 0.112 23.049 ( 0.000 -1.197 -0.000) 1.197 23.282 ( 0.000 -0.791 -0.000) 0.791 24.241 ( -0.000 4.603 0.000) 4.603 24.662 ( -0.000 9.926 0.000) 9.926 24.690 ( 0.000 -2.821 -0.000) 2.821 25.063 ( 0.000 -1.429 -0.000) 1.429 25.285 ( 0.000 -3.539 -0.000) 3.539 25.355 ( 0.000 -1.240 -0.000) 1.240 25.763 ( 0.000 -3.291 -0.000) 3.291 26.036 ( 0.000 -11.535 -0.000) 11.535 26.247 ( -0.000 1.166 0.000) 1.166 26.569 ( 0.000 -0.834 -0.000) 0.834 29.736 ( 0.000 -8.221 -0.000) 8.221 30.454 ( -0.000 19.104 0.000) 19.104 32.699 ( 0.000 -17.657 -0.000) 17.657 32.928 ( 0.000 -1.279 -0.000) 1.279 33.196 ( 0.000 -1.562 -0.000) 1.562 33.370 ( -0.000 20.392 0.000) 20.392 33.640 ( -0.000 4.453 0.000) 4.453 33.672 ( 0.000 -1.352 -0.000) 1.352 33.809 ( -0.000 3.975 0.000) 3.975 33.836 ( 0.000 -1.527 -0.000) 1.527 33.974 ( 0.000 -3.680 -0.000) 3.680 34.028 ( -0.000 1.638 0.000) 1.638 ======================= Grid point 44 (39/69) ======================= q-point: (-0.12 0.38 -0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.000 -18.754 24.399) 30.774 2.430 ( 0.000 -31.324 15.385) 34.898 3.233 ( -0.000 13.497 15.076) 20.235 3.330 ( 0.000 -29.054 30.115) 41.846 3.611 ( -0.000 4.068 -17.601) 18.065 3.649 ( -0.000 24.028 20.080) 31.314 4.114 ( 0.000 -8.979 20.507) 22.387 4.233 ( 0.000 -0.582 10.897) 10.913 4.296 ( -0.000 3.812 -4.702) 6.053 4.467 ( -0.000 8.221 7.797) 11.330 4.557 ( -0.000 18.262 20.820) 27.695 4.886 ( -0.000 11.667 7.642) 13.947 5.328 ( -0.000 4.246 -17.972) 18.467 5.503 ( -0.000 17.158 -12.847) 21.434 5.573 ( -0.000 -3.589 -13.725) 14.187 5.648 ( 0.000 -15.417 -12.230) 19.679 5.824 ( 0.000 -10.026 0.458) 10.037 6.273 ( 0.000 -16.202 -9.200) 18.632 6.297 ( 0.000 -8.399 -9.651) 12.794 6.461 ( -0.000 5.874 2.645) 6.442 6.575 ( -0.000 13.511 0.050) 13.511 6.733 ( 0.000 -1.691 -0.149) 1.697 6.787 ( 0.000 -15.178 8.852) 17.571 6.951 ( -0.000 10.334 4.170) 11.144 7.009 ( 0.000 -3.364 7.712) 8.414 7.271 ( 0.000 -3.334 4.159) 5.330 7.286 ( 0.000 -0.369 4.254) 4.271 7.482 ( -0.000 1.488 -2.765) 3.140 7.937 ( 0.000 -0.264 27.819) 27.820 8.064 ( 0.000 -12.950 10.603) 16.737 8.064 ( -0.000 13.199 13.130) 18.618 8.223 ( 0.000 -4.861 6.430) 8.060 8.233 ( 0.000 5.133 14.816) 15.681 8.605 ( 0.000 -3.540 8.795) 9.481 8.688 ( 0.000 -1.551 6.602) 6.781 8.769 ( -0.000 18.253 -2.694) 18.451 8.969 ( 0.000 -4.014 3.634) 5.415 9.287 ( 0.000 -1.031 6.545) 6.625 9.450 ( 0.000 -7.205 1.948) 7.463 9.652 ( -0.000 -1.577 -2.793) 3.207 9.724 ( 0.000 -12.021 2.703) 12.321 9.972 ( -0.000 9.202 3.669) 9.907 10.086 ( 0.000 -5.892 1.612) 6.109 10.294 ( -0.000 13.099 -7.436) 15.063 11.211 ( 0.000 1.114 2.057) 2.339 11.310 ( 0.000 -2.272 -1.269) 2.602 11.720 ( 0.000 -4.453 -0.229) 4.459 11.955 ( -0.000 7.332 -6.670) 9.912 11.988 ( -0.000 -3.521 -12.359) 12.851 12.067 ( -0.000 -1.100 -6.568) 6.660 12.080 ( -0.000 16.748 -1.234) 16.793 12.381 ( -0.000 6.667 -4.274) 7.920 12.423 ( -0.000 -0.840 -8.875) 8.914 12.776 ( -0.000 -1.491 -4.715) 4.945 13.099 ( -0.000 -1.363 -6.805) 6.941 13.276 ( 0.000 -7.132 -2.704) 7.628 13.282 ( 0.000 -2.074 2.297) 3.095 13.550 ( -0.000 7.618 -11.430) 13.736 13.643 ( -0.000 2.061 -5.334) 5.718 13.658 ( 0.000 -3.256 -4.233) 5.340 14.645 ( 0.000 -2.741 -0.555) 2.797 14.681 ( 0.000 -0.706 2.492) 2.590 14.870 ( 0.000 -3.511 3.811) 5.182 15.452 ( 0.000 -1.203 1.413) 1.856 15.607 ( -0.000 4.066 0.627) 4.114 15.933 ( 0.000 -3.920 -0.297) 3.931 16.074 ( -0.000 6.024 -0.085) 6.024 16.321 ( 0.000 -0.376 6.606) 6.616 16.358 ( 0.000 -7.322 4.677) 8.688 16.455 ( 0.000 2.395 5.000) 5.544 16.610 ( 0.000 -2.021 3.308) 3.877 17.005 ( -0.000 10.658 2.558) 10.960 17.102 ( 0.000 -10.582 1.951) 10.760 17.371 ( -0.000 1.040 -1.756) 2.041 17.687 ( 0.000 2.093 6.707) 7.026 17.730 ( 0.000 -4.995 6.050) 7.845 18.202 ( -0.000 -0.015 -4.347) 4.347 18.365 ( -0.000 4.441 -7.129) 8.399 19.010 ( 0.000 -1.817 -0.050) 1.818 19.294 ( -0.000 2.875 4.021) 4.943 19.354 ( -0.000 7.574 10.149) 12.664 19.539 ( 0.000 -0.489 2.599) 2.645 19.750 ( 0.000 -8.914 -5.291) 10.366 20.189 ( 0.000 -7.318 -4.964) 8.843 23.161 ( 0.000 -2.253 4.321) 4.873 23.507 ( 0.000 -0.755 6.766) 6.808 23.875 ( -0.000 4.254 -10.024) 10.889 24.260 ( -0.000 8.241 -7.442) 11.103 24.969 ( 0.000 -2.539 7.425) 7.848 25.240 ( 0.000 -3.155 5.158) 6.046 25.306 ( 0.000 -3.539 -2.351) 4.249 25.415 ( 0.000 -0.423 1.226) 1.296 25.835 ( 0.000 -3.257 -0.099) 3.258 26.196 ( -0.000 1.590 -0.807) 1.783 26.311 ( 0.000 -5.865 -0.059) 5.866 26.456 ( -0.000 0.982 -5.957) 6.038 29.982 ( -0.000 16.410 -1.043) 16.443 30.029 ( 0.000 -16.452 0.591) 16.462 32.318 ( -0.000 -1.142 -15.219) 15.262 32.404 ( -0.000 -3.377 -15.123) 15.495 32.472 ( -0.000 -3.562 -17.954) 18.304 32.486 ( -0.000 2.879 -21.664) 21.854 32.844 ( -0.000 32.910 -0.001) 32.910 33.094 ( 0.000 -27.401 -10.107) 29.206 34.819 ( 0.000 -4.184 32.654) 32.921 34.916 ( 0.000 2.301 32.157) 32.239 35.293 ( 0.000 4.630 33.267) 33.588 35.684 ( -0.000 19.209 28.475) 34.349 ======================= Grid point 45 (40/69) ======================= q-point: (-0.12 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -0.000 -5.268 -11.035) 12.228 2.727 ( -0.000 2.946 -26.832) 26.993 3.197 ( 0.000 -5.215 2.865) 5.950 3.433 ( -0.000 13.000 7.567) 15.042 3.526 ( -0.000 11.537 -0.714) 11.559 3.921 ( 0.000 -8.244 23.303) 24.719 4.283 ( -0.000 3.334 2.493) 4.163 4.324 ( -0.000 23.282 0.020) 23.282 4.368 ( -0.000 3.597 -4.463) 5.732 4.663 ( 0.000 -3.971 4.170) 5.758 4.961 ( -0.000 -5.753 -10.030) 11.563 5.026 ( 0.000 -1.317 4.898) 5.072 5.063 ( -0.000 2.889 4.295) 5.176 5.144 ( -0.000 1.221 -5.877) 6.002 5.331 ( 0.000 -23.437 14.485) 27.552 5.413 ( 0.000 -2.225 -2.078) 3.045 5.931 ( 0.000 -7.674 -6.961) 10.360 6.111 ( 0.000 -4.101 -4.059) 5.770 6.134 ( -0.000 12.942 -6.060) 14.291 6.493 ( -0.000 10.309 4.508) 11.251 6.731 ( 0.000 -2.851 -3.110) 4.219 6.733 ( 0.000 -5.665 4.357) 7.147 6.845 ( -0.000 0.174 -5.319) 5.322 6.974 ( -0.000 4.778 0.323) 4.789 7.276 ( 0.000 -11.987 0.035) 11.987 7.375 ( -0.000 4.011 -2.852) 4.922 7.553 ( 0.000 -2.815 -2.517) 3.776 7.646 ( 0.000 -15.835 6.716) 17.201 7.996 ( -0.000 13.618 -7.540) 15.566 8.242 ( -0.000 16.459 13.559) 21.325 8.508 ( -0.000 6.016 -4.683) 7.624 8.512 ( 0.000 -1.540 -0.925) 1.797 8.772 ( 0.000 -5.462 -3.285) 6.374 8.808 ( 0.000 -7.954 4.614) 9.195 8.872 ( -0.000 1.648 1.318) 2.110 9.000 ( 0.000 -1.842 5.912) 6.192 9.007 ( -0.000 1.110 -8.715) 8.786 9.463 ( -0.000 2.792 1.336) 3.095 9.472 ( -0.000 4.954 -1.629) 5.215 9.621 ( 0.000 -7.237 -2.965) 7.821 9.782 ( -0.000 -2.191 -4.624) 5.117 10.027 ( -0.000 6.306 -3.517) 7.220 10.087 ( 0.000 -2.367 7.402) 7.771 10.216 ( 0.000 -8.347 4.525) 9.495 11.181 ( -0.000 1.519 0.369) 1.563 11.350 ( -0.000 1.889 -3.426) 3.912 11.576 ( -0.000 3.077 -4.962) 5.838 11.659 ( 0.000 1.531 3.542) 3.858 11.705 ( 0.000 -2.132 7.782) 8.069 11.793 ( -0.000 -1.227 -2.755) 3.016 11.835 ( -0.000 9.731 4.096) 10.558 12.338 ( 0.000 -10.314 -0.008) 10.314 12.428 ( 0.000 -0.148 6.699) 6.700 12.630 ( -0.000 -0.337 -2.695) 2.716 12.956 ( -0.000 1.028 -1.159) 1.549 13.193 ( 0.000 0.477 2.715) 2.757 13.287 ( -0.000 1.089 -6.738) 6.826 13.456 ( 0.000 -1.765 4.175) 4.532 13.488 ( 0.000 -1.309 -0.065) 1.311 13.531 ( -0.000 0.451 -1.064) 1.156 14.631 ( -0.000 0.330 -1.538) 1.572 14.733 ( 0.000 -0.599 -0.378) 0.708 15.297 ( -0.000 1.774 -13.452) 13.569 15.403 ( 0.000 -1.572 12.604) 12.701 15.736 ( -0.000 -0.891 -1.863) 2.065 15.746 ( 0.000 -0.289 -0.496) 0.574 16.052 ( -0.000 4.372 4.474) 6.255 16.388 ( -0.000 4.580 -1.378) 4.783 16.459 ( 0.000 -5.348 -3.573) 6.432 16.609 ( 0.000 -4.270 2.625) 5.012 16.648 ( -0.000 2.691 -1.032) 2.882 16.848 ( -0.000 10.313 0.537) 10.327 17.348 ( 0.000 -0.819 0.206) 0.844 17.354 ( 0.000 -10.250 -0.735) 10.276 17.941 ( -0.000 2.611 -7.875) 8.296 17.945 ( 0.000 -0.941 3.356) 3.486 18.013 ( -0.000 0.946 -2.302) 2.489 18.141 ( 0.000 -2.022 7.453) 7.723 19.002 ( -0.000 0.538 -0.830) 0.989 19.384 ( 0.000 -1.843 1.318) 2.266 19.394 ( -0.000 6.393 1.603) 6.591 19.584 ( -0.000 1.683 -0.105) 1.686 19.863 ( 0.000 -5.448 -0.754) 5.500 20.046 ( -0.000 0.793 -5.153) 5.213 23.375 ( -0.000 -0.337 -6.041) 6.050 23.532 ( 0.000 0.461 6.772) 6.788 23.730 ( -0.000 -1.802 -4.018) 4.404 24.017 ( 0.000 1.701 7.473) 7.664 25.171 ( 0.000 -1.232 -1.362) 1.836 25.226 ( -0.000 0.960 -2.265) 2.460 25.356 ( -0.000 1.095 -2.871) 3.073 25.441 ( 0.000 -0.366 0.978) 1.044 25.831 ( -0.000 0.674 -1.866) 1.984 26.171 ( 0.000 0.242 0.877) 0.910 26.299 ( 0.000 -0.437 2.022) 2.069 26.302 ( -0.000 -0.311 -2.675) 2.693 29.781 ( -0.000 6.941 1.202) 7.045 30.416 ( 0.000 -25.114 -1.278) 25.147 31.992 ( -0.000 22.676 -0.398) 22.679 32.004 ( -0.000 0.375 -0.042) 0.377 32.061 ( -0.000 1.900 -2.390) 3.053 32.077 ( 0.000 -0.368 0.653) 0.749 32.293 ( -0.000 13.789 4.493) 14.502 33.417 ( 0.000 -20.627 -1.621) 20.691 35.539 ( -0.000 0.160 -2.640) 2.644 35.610 ( -0.000 0.978 0.645) 1.172 36.014 ( 0.000 -0.215 2.502) 2.511 36.231 ( 0.000 -2.271 9.295) 9.568 ======================= Grid point 46 (41/69) ======================= q-point: (-0.14 -0.24 0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 14.070 10.719 -0.931) 17.712 2.828 ( -18.954 -10.561 7.987) 23.121 2.972 ( 10.066 23.455 -15.028) 29.619 3.221 ( -12.506 -15.367 -11.951) 23.139 3.835 ( 11.395 -13.327 3.645) 17.909 4.057 ( 7.156 -5.347 -3.338) 9.536 4.066 ( -10.260 10.861 -1.268) 14.995 4.208 ( -7.461 4.365 -5.279) 10.129 4.561 ( 4.956 -1.647 -4.950) 7.196 4.639 ( -2.452 6.883 -5.406) 9.089 4.892 ( 5.087 -8.945 -3.970) 11.029 4.982 ( -1.522 2.527 -13.692) 14.007 5.151 ( 4.863 -7.195 6.733) 10.988 5.247 ( -3.901 -2.587 4.259) 6.329 5.341 ( 3.224 -1.806 9.283) 9.992 5.448 ( -7.997 9.910 6.521) 14.307 5.798 ( 8.709 -1.084 7.108) 11.294 5.931 ( -5.628 3.062 6.634) 9.222 6.337 ( 2.861 0.757 -4.315) 5.232 6.450 ( -6.884 -3.213 -1.546) 7.753 6.692 ( 3.550 1.559 -1.643) 4.211 6.760 ( -2.561 -0.110 -0.463) 2.605 6.996 ( 8.249 6.438 -4.583) 11.424 7.146 ( -5.271 -5.261 -3.572) 8.259 7.266 ( 9.181 2.974 -1.943) 9.844 7.375 ( 1.439 -0.013 -0.525) 1.532 7.471 ( 5.436 -3.320 -3.327) 7.186 7.580 ( -0.107 -0.127 -0.094) 0.191 7.935 ( -6.927 8.211 -3.101) 11.181 8.002 ( -10.518 -5.402 -0.451) 11.832 8.340 ( 1.437 -5.124 -16.683) 17.511 8.357 ( -0.689 1.795 -17.312) 17.418 8.537 ( 2.840 -1.834 -13.748) 14.157 8.606 ( -3.837 2.857 -12.137) 13.046 8.881 ( 2.414 -7.186 -9.888) 12.460 8.950 ( -4.161 8.706 -7.960) 12.509 9.118 ( 10.978 -6.234 -0.258) 12.627 9.303 ( -7.721 5.085 -1.037) 9.303 9.527 ( 1.737 2.750 -0.286) 3.266 9.563 ( -1.992 -1.223 1.913) 3.020 10.015 ( 3.423 3.726 -3.731) 6.287 10.039 ( -0.335 -4.689 -1.958) 5.092 10.107 ( 7.439 9.467 -0.346) 12.045 10.230 ( -3.019 -11.168 0.616) 11.586 11.138 ( -0.727 -2.326 1.622) 2.927 11.178 ( -4.591 3.623 0.575) 5.877 11.665 ( 3.277 1.217 9.289) 9.925 11.735 ( -3.224 -1.717 11.163) 11.745 11.825 ( 1.596 3.056 4.254) 5.476 11.871 ( -2.868 -3.850 5.299) 7.150 12.149 ( 5.197 -6.224 5.684) 9.902 12.231 ( -1.910 6.912 9.151) 11.626 12.394 ( 2.620 -7.101 -0.722) 7.603 12.487 ( -6.296 4.466 3.465) 8.461 12.983 ( 1.730 2.562 5.024) 5.898 13.062 ( -6.359 -2.545 7.063) 9.838 13.367 ( 3.373 -3.070 0.776) 4.626 13.409 ( -0.311 4.120 3.772) 5.594 13.644 ( 2.467 0.856 -4.070) 4.836 13.669 ( 0.349 -1.553 -1.787) 2.393 14.678 ( 1.580 0.893 0.289) 1.838 14.705 ( -1.082 -0.264 0.056) 1.115 15.161 ( 5.309 2.672 -7.413) 9.502 15.282 ( -6.962 -2.132 -3.282) 7.987 15.771 ( 4.198 -1.412 0.181) 4.433 15.835 ( -2.463 1.792 1.848) 3.563 16.133 ( 1.918 -3.788 -0.317) 4.258 16.188 ( -3.891 3.534 -1.138) 5.378 16.598 ( 2.617 -6.173 -4.671) 8.171 16.624 ( 0.239 6.526 -3.637) 7.475 16.780 ( 8.773 -0.171 -0.601) 8.795 16.948 ( -7.778 -0.623 -0.755) 7.840 17.142 ( 4.493 -0.191 -1.132) 4.637 17.253 ( -6.644 1.156 -1.104) 6.833 17.586 ( 2.293 1.001 0.993) 2.692 17.697 ( -8.642 -1.584 5.014) 10.116 18.340 ( 9.958 2.693 -6.310) 12.092 18.455 ( -0.910 -2.443 -0.787) 2.724 19.185 ( 4.733 -1.204 0.487) 4.908 19.225 ( -0.898 -2.841 -1.653) 3.408 19.337 ( -3.064 1.364 0.740) 3.434 19.392 ( -5.769 2.459 1.507) 6.450 19.939 ( 5.318 -1.605 -3.596) 6.617 20.026 ( -3.730 2.882 -0.566) 4.747 23.284 ( 2.674 3.200 -0.315) 4.182 23.367 ( -5.918 -3.683 3.531) 7.814 24.114 ( 15.456 2.880 -9.299) 18.266 24.356 ( -5.131 -5.091 -3.409) 7.991 24.765 ( 2.877 2.070 3.995) 5.341 24.952 ( -11.927 -0.572 8.191) 14.480 25.495 ( 1.680 0.786 -2.036) 2.754 25.503 ( 0.778 0.366 -1.693) 1.899 26.073 ( 6.672 2.173 0.907) 7.075 26.152 ( -1.863 -1.477 -1.989) 3.100 26.281 ( 1.006 -0.759 2.980) 3.236 26.324 ( -2.516 0.881 6.909) 7.406 29.989 ( 1.128 -8.044 -0.054) 8.123 30.013 ( -1.285 8.041 -0.449) 8.156 32.113 ( 0.960 -0.519 8.827) 8.894 32.129 ( -0.712 1.194 9.029) 9.135 32.190 ( 0.917 -0.214 9.861) 9.906 32.209 ( -0.977 -0.063 9.579) 9.629 32.859 ( 0.857 -33.986 0.664) 34.004 32.886 ( -1.877 33.432 2.448) 33.574 35.358 ( 1.001 2.730 -18.892) 19.115 35.385 ( -1.681 -2.317 -18.519) 18.739 35.869 ( 2.907 0.811 -19.298) 19.532 35.943 ( -4.667 -4.365 -17.746) 18.861 ======================= Grid point 48 (42/69) ======================= q-point: (-0.14 0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 25.931 0.000 11.098) 28.206 1.853 ( 29.591 0.000 30.617) 42.580 2.607 ( 40.599 0.000 20.367) 45.422 3.025 ( -6.079 -0.000 34.376) 34.910 3.379 ( -3.272 -0.000 21.480) 21.727 3.403 ( -8.097 -0.000 13.449) 15.699 3.714 ( -15.623 -0.000 15.904) 22.293 4.108 ( -9.253 -0.000 -10.860) 14.267 4.302 ( -6.549 -0.000 -7.137) 9.687 4.373 ( -15.843 -0.000 10.896) 19.228 4.721 ( 7.398 0.000 -1.072) 7.475 5.000 ( -6.909 -0.000 -4.246) 8.110 5.110 ( 1.595 0.000 10.006) 10.132 5.307 ( -3.943 -0.000 -9.074) 9.894 5.833 ( 5.227 0.000 -9.274) 10.646 5.852 ( 2.306 0.000 -9.159) 9.445 6.122 ( 2.181 0.000 3.039) 3.741 6.186 ( -3.586 -0.000 -5.021) 6.170 6.306 ( 12.618 0.000 -15.233) 19.780 6.589 ( 2.810 0.000 1.145) 3.034 6.645 ( -2.431 -0.000 -9.707) 10.007 6.847 ( 5.258 0.000 0.327) 5.268 6.866 ( -2.013 -0.000 11.381) 11.558 7.094 ( -3.933 -0.000 1.422) 4.182 7.096 ( 4.170 0.000 -4.834) 6.384 7.282 ( 11.054 0.000 -0.337) 11.059 7.374 ( -7.608 -0.000 21.661) 22.958 7.406 ( 4.983 0.000 2.607) 5.624 7.587 ( 0.254 -0.000 8.418) 8.421 7.598 ( -4.557 -0.000 5.758) 7.343 7.852 ( -9.585 -0.000 5.760) 11.183 7.965 ( 0.238 -0.000 10.780) 10.782 7.983 ( -6.879 -0.000 4.852) 8.418 8.281 ( 4.590 0.000 -0.991) 4.696 8.549 ( 0.086 0.000 -1.307) 1.309 8.693 ( -3.105 -0.000 4.778) 5.698 8.882 ( -5.537 -0.000 6.404) 8.466 9.332 ( 7.946 0.000 3.385) 8.637 9.427 ( 2.211 0.000 2.409) 3.270 9.598 ( -5.916 -0.000 0.835) 5.975 9.605 ( 5.353 0.000 -1.467) 5.550 9.971 ( 9.373 0.000 -1.583) 9.505 10.244 ( 1.612 0.000 -0.668) 1.745 10.493 ( -12.585 -0.000 1.902) 12.728 11.209 ( 3.060 0.000 -1.075) 3.243 11.210 ( -1.561 -0.000 -4.304) 4.578 11.428 ( -1.878 -0.000 6.164) 6.444 12.084 ( -3.794 -0.000 -4.550) 5.924 12.246 ( -0.451 0.000 -8.461) 8.473 12.300 ( -5.789 -0.000 -1.039) 5.882 12.329 ( -2.693 -0.000 -7.590) 8.053 12.514 ( -3.772 -0.000 -1.619) 4.104 12.710 ( -2.987 -0.000 -3.972) 4.970 12.711 ( 4.286 0.000 -9.164) 10.117 13.015 ( 0.802 0.000 1.450) 1.657 13.232 ( 4.598 0.000 3.750) 5.934 13.416 ( 6.958 0.000 0.925) 7.020 13.509 ( -0.770 -0.000 -6.704) 6.748 13.622 ( -5.881 -0.000 -3.168) 6.679 13.882 ( -4.474 -0.000 -3.344) 5.586 14.695 ( 0.637 0.000 -0.875) 1.082 14.780 ( 0.102 0.000 -3.765) 3.766 15.090 ( 11.745 0.000 -8.106) 14.270 15.382 ( -6.528 -0.000 -8.077) 10.386 15.618 ( -5.396 -0.000 3.308) 6.329 15.858 ( 5.215 0.000 0.802) 5.276 15.897 ( 0.295 -0.000 9.750) 9.754 16.169 ( -0.345 -0.000 4.862) 4.874 16.250 ( 0.903 0.000 1.834) 2.044 16.414 ( 1.803 0.000 8.009) 8.210 16.732 ( -2.150 -0.000 0.573) 2.225 16.837 ( 14.259 0.000 -0.066) 14.259 17.082 ( -13.633 -0.000 -0.522) 13.643 17.244 ( -0.315 -0.000 6.830) 6.837 17.679 ( 8.833 0.000 -4.853) 10.078 17.944 ( 11.899 0.000 8.443) 14.590 18.023 ( -12.839 -0.000 -7.319) 14.779 18.375 ( -12.724 -0.000 6.633) 14.349 19.127 ( 0.161 0.000 -0.752) 0.769 19.282 ( -4.138 -0.000 -0.152) 4.140 19.304 ( 6.031 0.000 -1.185) 6.146 19.454 ( 5.856 0.000 -2.833) 6.505 19.772 ( 14.065 0.000 5.800) 15.214 19.805 ( -7.478 -0.000 4.062) 8.509 23.310 ( 7.905 0.000 -5.593) 9.684 23.668 ( 10.529 0.000 8.543) 13.558 23.743 ( -14.623 -0.000 -7.496) 16.433 24.126 ( -19.635 -0.000 9.056) 21.623 25.046 ( 10.412 0.000 -7.749) 12.979 25.235 ( -2.903 -0.000 -4.890) 5.687 25.307 ( 7.041 0.000 5.515) 8.944 25.391 ( 0.761 0.000 2.526) 2.638 25.980 ( 3.603 0.000 0.191) 3.608 26.152 ( -2.044 -0.000 0.163) 2.050 26.457 ( -5.975 -0.000 -2.136) 6.346 27.087 ( 6.307 0.000 -34.340) 34.914 29.686 ( -1.812 -0.000 2.005) 2.703 30.733 ( 2.499 0.000 0.605) 2.571 31.576 ( -0.462 -0.000 -0.100) 0.472 32.682 ( 1.965 0.000 -19.223) 19.323 32.800 ( 0.948 0.000 -26.401) 26.418 32.900 ( -4.630 -0.000 -16.020) 16.675 33.113 ( -0.003 0.000 -32.211) 32.211 33.642 ( 3.852 0.000 -0.814) 3.937 34.089 ( 0.957 -0.000 32.724) 32.738 34.324 ( 0.075 -0.000 33.816) 33.816 34.603 ( -8.414 -0.000 43.432) 44.240 34.746 ( -11.024 -0.000 49.004) 50.229 ======================= Grid point 50 (43/69) ======================= q-point: (-0.15 -0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 103 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 18.493 0.000 -18.229) 25.967 2.623 ( 5.818 0.000 -25.228) 25.890 3.246 ( -1.819 -0.000 6.981) 7.214 3.426 ( -15.056 -0.000 1.828) 15.166 3.645 ( -6.482 -0.000 12.036) 13.671 3.984 ( 2.892 0.000 23.199) 23.378 4.052 ( -2.788 -0.000 -0.796) 2.899 4.244 ( -2.041 -0.000 -1.424) 2.488 4.303 ( 3.241 0.000 -5.011) 5.967 4.628 ( 7.926 0.000 2.901) 8.440 4.944 ( 6.006 0.000 -13.430) 14.712 5.026 ( -1.573 -0.000 6.962) 7.137 5.095 ( -0.703 -0.000 0.292) 0.761 5.135 ( -5.189 -0.000 5.278) 7.402 5.538 ( -4.847 -0.000 -2.805) 5.600 5.674 ( -6.435 -0.000 13.086) 14.582 5.782 ( 9.343 0.000 -7.540) 12.006 6.031 ( 5.206 0.000 -8.323) 9.817 6.243 ( -3.720 -0.000 -3.497) 5.106 6.277 ( 7.620 0.000 1.628) 7.792 6.602 ( 5.576 0.000 -2.725) 6.206 6.912 ( -5.042 -0.000 -2.378) 5.574 6.927 ( -11.149 -0.000 -0.915) 11.186 7.090 ( -9.167 -0.000 2.642) 9.540 7.344 ( -1.764 -0.000 -4.455) 4.791 7.429 ( -1.580 -0.000 0.661) 1.713 7.580 ( 0.706 0.000 -0.757) 1.035 7.788 ( 5.878 0.000 4.651) 7.495 7.880 ( 0.120 0.000 -5.377) 5.378 8.028 ( -3.376 -0.000 10.313) 10.852 8.400 ( 2.941 0.000 -2.503) 3.862 8.474 ( 5.922 0.000 -3.324) 6.791 8.723 ( 6.024 0.000 7.385) 9.530 8.823 ( 2.651 0.000 -5.239) 5.871 8.882 ( 2.220 0.000 -1.848) 2.888 9.011 ( -3.921 -0.000 2.178) 4.486 9.086 ( -3.867 -0.000 -0.368) 3.885 9.366 ( 2.151 0.000 -0.916) 2.338 9.545 ( -8.709 -0.000 0.304) 8.714 9.736 ( 0.409 0.000 -0.332) 0.526 9.774 ( 4.595 0.000 -4.977) 6.773 9.966 ( -3.863 -0.000 -7.863) 8.760 10.126 ( -0.605 -0.000 9.576) 9.596 10.381 ( -7.312 -0.000 5.829) 9.351 11.132 ( 3.944 0.000 -3.097) 5.014 11.264 ( 4.402 0.000 -0.923) 4.497 11.517 ( 1.521 0.000 -2.979) 3.345 11.675 ( -2.051 -0.000 2.689) 3.382 11.687 ( 3.703 0.000 6.611) 7.577 11.712 ( 0.149 0.000 -0.046) 0.156 11.884 ( -4.688 -0.000 1.618) 4.959 12.332 ( 5.424 0.000 5.135) 7.469 12.488 ( -1.025 -0.000 1.934) 2.189 12.606 ( 2.507 0.000 -2.935) 3.860 12.945 ( 1.181 0.000 -2.471) 2.739 13.148 ( 3.754 0.000 5.265) 6.466 13.204 ( 3.612 0.000 -3.341) 4.921 13.435 ( -0.146 0.000 -3.022) 3.025 13.599 ( -5.941 -0.000 0.788) 5.993 13.624 ( -6.132 -0.000 1.046) 6.221 14.642 ( -1.430 -0.000 -1.846) 2.335 14.732 ( 0.892 0.000 -0.348) 0.958 15.253 ( 2.207 0.000 -11.259) 11.474 15.399 ( 1.838 0.000 10.231) 10.395 15.765 ( -1.639 -0.000 -8.080) 8.245 15.767 ( -1.410 -0.000 5.546) 5.722 15.983 ( 1.712 0.000 3.277) 3.697 16.395 ( -4.563 -0.000 0.188) 4.567 16.457 ( 5.225 0.000 -2.002) 5.596 16.653 ( -5.803 -0.000 -0.448) 5.821 16.713 ( -2.613 -0.000 2.313) 3.490 16.764 ( -3.189 -0.000 -2.167) 3.855 17.284 ( 7.640 0.000 0.232) 7.644 17.465 ( -0.293 -0.000 -0.283) 0.407 17.712 ( 10.322 0.000 -6.744) 12.330 17.802 ( 10.254 0.000 7.334) 12.607 18.202 ( -11.419 -0.000 -6.801) 13.291 18.329 ( -10.987 -0.000 6.562) 12.798 19.043 ( -3.712 -0.000 -0.573) 3.756 19.232 ( 5.715 0.000 3.118) 6.511 19.438 ( -0.258 -0.000 -0.292) 0.390 19.513 ( 4.360 0.000 -1.104) 4.497 19.930 ( -0.445 -0.000 2.313) 2.356 20.042 ( -0.800 -0.000 -7.613) 7.655 23.310 ( 4.818 0.000 -6.063) 7.744 23.474 ( 3.988 0.000 7.705) 8.676 23.909 ( -13.231 -0.000 -8.799) 15.889 24.125 ( -11.859 -0.000 12.356) 17.126 25.039 ( 12.498 0.000 -7.643) 14.650 25.063 ( 11.272 0.000 4.944) 12.308 25.438 ( -5.339 -0.000 -2.627) 5.951 25.482 ( -2.146 -0.000 -0.918) 2.334 25.890 ( -6.482 -0.000 -2.715) 7.027 26.175 ( -0.470 -0.000 0.991) 1.097 26.283 ( 2.140 0.000 -0.873) 2.311 26.305 ( 0.081 0.000 0.454) 0.461 29.718 ( -0.082 -0.000 1.090) 1.093 30.783 ( 0.134 0.000 -1.617) 1.623 31.565 ( 0.035 0.000 0.304) 0.306 32.004 ( -0.487 -0.000 0.247) 0.546 32.045 ( 0.417 0.000 -2.327) 2.364 32.091 ( -0.970 -0.000 0.521) 1.101 32.211 ( 1.898 0.000 3.745) 4.198 33.615 ( 0.319 0.000 -1.276) 1.316 35.529 ( 0.721 0.000 -2.721) 2.814 35.601 ( -0.226 -0.000 0.608) 0.648 36.000 ( 1.523 0.000 3.287) 3.622 36.245 ( 1.147 0.000 9.827) 9.894 ======================= Grid point 52 (44/69) ======================= q-point: (-0.15 0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -18.143 -24.226 -0.000) 30.266 1.671 ( -32.591 -26.584 -0.000) 42.059 2.301 ( 5.894 8.847 0.000) 10.631 2.900 ( -12.368 -56.762 -0.000) 58.094 3.092 ( 12.022 28.658 0.000) 31.078 3.288 ( -0.972 1.692 0.000) 1.951 3.429 ( 0.138 -1.638 -0.000) 1.644 4.090 ( 6.292 17.702 0.000) 18.787 4.173 ( -3.312 8.343 0.000) 8.977 4.411 ( -1.487 23.922 0.000) 23.968 4.521 ( 4.047 9.228 0.000) 10.076 4.804 ( 8.836 -3.555 -0.000) 9.525 5.503 ( 4.687 9.819 0.000) 10.880 5.566 ( 4.859 -25.718 -0.000) 26.173 5.964 ( -7.890 -13.634 -0.000) 15.752 6.071 ( -7.206 -0.669 0.000) 7.237 6.238 ( -5.828 10.917 0.000) 12.375 6.372 ( -1.902 -4.008 -0.000) 4.436 6.464 ( -2.140 -0.205 0.000) 2.150 6.478 ( -4.359 -3.401 -0.000) 5.529 6.584 ( 7.058 -21.907 -0.000) 23.016 6.660 ( 5.539 13.015 0.000) 14.144 6.811 ( -0.171 16.548 0.000) 16.548 6.907 ( 3.130 5.936 0.000) 6.711 6.962 ( -2.961 -5.401 -0.000) 6.159 7.115 ( -5.844 -0.735 0.000) 5.890 7.197 ( -2.449 -2.553 -0.000) 3.537 7.283 ( 6.841 1.724 -0.000) 7.055 7.552 ( 4.182 -9.008 -0.000) 9.932 7.601 ( -0.062 4.121 0.000) 4.122 7.868 ( -3.703 -7.796 -0.000) 8.631 7.896 ( -4.180 -0.931 0.000) 4.282 8.074 ( -0.315 8.962 0.000) 8.968 8.216 ( 3.010 3.624 0.000) 4.711 8.510 ( 4.440 -7.639 -0.000) 8.836 8.603 ( 15.323 9.315 0.000) 17.932 9.125 ( -6.700 17.244 0.000) 18.500 9.179 ( -2.862 -7.715 -0.000) 8.228 9.406 ( -0.463 -17.182 -0.000) 17.189 9.670 ( 1.949 -3.385 -0.000) 3.906 9.772 ( -4.367 -8.743 -0.000) 9.773 9.901 ( -2.796 13.292 0.000) 13.583 10.012 ( -2.309 -11.511 -0.000) 11.741 10.419 ( 6.152 16.518 0.000) 17.627 11.127 ( -0.321 -1.753 -0.000) 1.782 11.342 ( 4.306 1.558 -0.000) 4.579 11.697 ( -1.507 -10.043 -0.000) 10.155 12.037 ( 7.274 15.445 0.000) 17.073 12.092 ( -7.125 12.160 0.000) 14.094 12.221 ( -4.368 3.751 0.000) 5.758 12.337 ( -4.276 -1.677 0.000) 4.593 12.531 ( 2.854 1.685 0.000) 3.314 12.657 ( -3.630 2.812 0.000) 4.592 12.864 ( 2.563 -2.038 -0.000) 3.274 13.186 ( 2.678 -1.606 -0.000) 3.123 13.290 ( 3.982 -7.886 -0.000) 8.834 13.319 ( -3.869 -1.317 0.000) 4.087 13.667 ( 5.829 -1.245 -0.000) 5.961 13.779 ( 1.312 -2.297 -0.000) 2.645 13.791 ( 0.888 6.087 0.000) 6.152 14.686 ( -1.834 -0.309 0.000) 1.860 14.699 ( -0.601 -1.241 -0.000) 1.379 15.067 ( -9.605 -2.499 0.000) 9.925 15.537 ( 2.012 3.904 0.000) 4.392 15.651 ( -0.739 2.383 0.000) 2.495 15.893 ( 4.660 -5.724 -0.000) 7.381 16.005 ( 1.680 7.096 0.000) 7.292 16.048 ( 1.563 -11.438 -0.000) 11.544 16.167 ( -3.836 4.801 0.000) 6.145 16.227 ( -1.125 -4.624 -0.000) 4.759 16.621 ( -7.550 -1.571 0.000) 7.712 16.898 ( 0.830 11.177 0.000) 11.208 17.054 ( 1.535 -11.197 -0.000) 11.301 17.352 ( 8.497 1.081 -0.000) 8.565 17.618 ( -9.815 -0.661 0.000) 9.838 17.678 ( -6.141 -2.291 0.000) 6.555 18.224 ( 7.841 0.975 -0.000) 7.902 18.440 ( 12.431 4.660 -0.000) 13.275 19.076 ( -5.206 4.959 0.000) 7.190 19.081 ( -6.324 -1.820 0.000) 6.580 19.279 ( -9.597 2.783 0.000) 9.992 19.489 ( -1.903 -0.156 0.000) 1.909 19.840 ( 9.301 -4.771 -0.000) 10.453 20.228 ( 17.580 -6.449 -0.000) 18.726 23.236 ( -12.740 0.603 0.000) 12.754 23.347 ( -4.220 -2.156 -0.000) 4.739 24.003 ( 10.634 6.317 0.000) 12.368 24.232 ( 15.838 7.119 -0.000) 17.365 24.962 ( -13.942 -1.273 0.000) 14.000 25.142 ( -4.473 -3.721 -0.000) 5.818 25.356 ( 0.905 -3.222 -0.000) 3.346 25.377 ( 0.835 -0.996 -0.000) 1.299 26.160 ( -11.526 6.220 0.000) 13.097 26.200 ( 5.853 -7.651 -0.000) 9.633 26.202 ( -12.080 7.506 0.000) 14.222 26.678 ( -5.822 -8.179 -0.000) 10.039 29.983 ( 0.299 -18.179 -0.000) 18.182 30.042 ( 2.116 18.450 0.000) 18.571 32.836 ( -1.387 35.217 0.000) 35.244 32.964 ( 0.997 -9.158 -0.000) 9.212 32.979 ( -1.400 -1.874 -0.000) 2.339 33.275 ( 4.190 -14.271 -0.000) 14.873 33.516 ( 0.582 7.496 0.000) 7.518 33.700 ( 12.182 -8.607 -0.000) 14.916 33.714 ( 0.769 -3.310 -0.000) 3.398 33.738 ( 0.279 2.953 0.000) 2.966 33.990 ( -0.567 3.072 0.000) 3.124 34.035 ( 0.533 -3.118 -0.000) 3.163 ======================= Grid point 53 (45/69) ======================= q-point: (-0.15 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -2.925 -8.665 10.555) 13.966 2.892 ( 2.576 2.815 16.652) 17.083 2.985 ( -2.076 -16.153 17.090) 23.607 3.305 ( 17.065 1.194 7.355) 18.621 3.447 ( -7.359 10.187 4.119) 13.225 3.745 ( -8.510 2.103 0.294) 8.771 4.038 ( 1.375 18.214 13.845) 22.920 4.209 ( 2.689 6.595 17.185) 18.602 4.253 ( 6.816 -2.409 10.276) 12.564 4.341 ( -4.252 -8.980 8.437) 13.035 4.414 ( -4.031 3.409 21.276) 21.921 4.762 ( -6.463 -1.592 3.075) 7.332 5.186 ( 0.098 7.761 -11.823) 14.143 5.318 ( -2.164 3.730 -12.248) 12.985 5.617 ( -7.381 4.394 -10.668) 13.697 5.870 ( 8.411 -11.442 -3.468) 14.619 6.053 ( 5.044 -12.546 -8.984) 16.234 6.147 ( 8.286 9.020 -7.627) 14.429 6.333 ( 5.877 3.097 -5.912) 8.893 6.434 ( 0.559 2.056 0.089) 2.133 6.485 ( -6.270 0.455 0.688) 6.324 6.904 ( -6.398 1.620 0.691) 6.636 6.966 ( -8.444 -13.582 -1.505) 16.063 7.061 ( -2.098 -7.542 11.431) 13.854 7.115 ( -5.533 -3.731 2.680) 7.191 7.307 ( -4.545 2.497 -0.711) 5.234 7.385 ( 4.401 -9.330 3.615) 10.931 7.579 ( 0.871 -8.018 4.788) 9.379 7.718 ( -1.754 17.283 7.595) 18.960 7.896 ( 6.322 0.689 25.148) 25.939 8.112 ( 7.053 -2.751 8.410) 11.315 8.165 ( 5.235 4.428 18.667) 19.887 8.237 ( 0.296 1.587 6.953) 7.138 8.413 ( 3.595 1.992 8.974) 9.870 8.667 ( 0.994 7.467 0.236) 7.536 8.752 ( -5.100 -2.271 5.250) 7.664 8.960 ( 2.399 -5.622 12.416) 13.839 9.414 ( -5.712 0.239 4.144) 7.061 9.532 ( 2.157 0.228 -2.938) 3.652 9.670 ( 1.725 -3.264 0.944) 3.810 9.798 ( 0.502 7.187 3.674) 8.087 9.974 ( -4.494 -3.004 -1.932) 5.741 10.117 ( -2.537 -0.486 1.948) 3.236 10.188 ( 0.534 -3.817 -2.627) 4.664 11.183 ( 1.893 -0.803 -0.954) 2.267 11.302 ( 3.420 -1.258 0.866) 3.746 11.722 ( 2.714 14.069 1.865) 14.449 11.812 ( -2.013 -1.775 -5.407) 6.037 11.891 ( -5.551 3.204 -2.992) 7.073 12.003 ( -0.239 0.849 -12.847) 12.878 12.163 ( -6.051 -0.773 -7.245) 9.471 12.248 ( 2.021 4.342 -5.405) 7.222 12.498 ( -2.886 -2.659 -4.743) 6.156 12.753 ( 4.541 -1.650 -5.592) 7.391 13.152 ( -0.528 -4.283 -8.340) 9.391 13.254 ( 6.201 1.136 1.534) 6.488 13.369 ( 0.195 2.252 -10.276) 10.522 13.494 ( -6.207 -2.179 -2.187) 6.932 13.604 ( 1.219 1.097 -2.180) 2.728 13.675 ( 3.668 -1.583 -4.518) 6.031 14.700 ( -0.537 -1.803 -0.942) 2.104 14.713 ( -0.609 -0.769 0.790) 1.260 14.977 ( -5.362 -2.073 2.688) 6.346 15.380 ( 7.219 0.202 -0.251) 7.226 15.592 ( -3.744 3.056 4.464) 6.579 15.957 ( 0.962 -0.596 -1.241) 1.680 16.008 ( -0.915 1.764 -1.303) 2.376 16.289 ( -0.765 2.190 7.203) 7.567 16.371 ( 4.383 -2.020 3.191) 5.786 16.595 ( -3.722 -4.361 6.662) 8.789 16.646 ( -3.227 0.304 0.610) 3.298 16.794 ( -1.600 8.523 3.283) 9.273 17.252 ( 5.910 -5.178 0.373) 7.866 17.363 ( 1.430 -2.362 1.650) 3.217 17.594 ( 0.884 -0.637 1.776) 2.083 17.961 ( -3.486 -2.481 2.896) 5.166 18.028 ( 3.226 1.318 -0.740) 3.562 18.401 ( -3.315 1.769 -2.047) 4.279 19.076 ( 0.680 2.138 1.123) 2.509 19.096 ( -0.580 2.535 3.939) 4.720 19.389 ( -4.308 -0.536 2.997) 5.275 19.524 ( 0.754 1.907 1.481) 2.529 19.837 ( 2.748 -3.468 -0.878) 4.511 20.228 ( 6.849 -3.697 -3.384) 8.487 23.247 ( -4.339 -2.272 2.165) 5.355 23.559 ( 4.663 -1.600 -1.145) 5.062 23.720 ( -3.756 3.892 2.735) 6.061 24.223 ( -4.096 5.711 -1.394) 7.165 24.881 ( 5.534 -2.169 0.920) 6.014 25.270 ( 7.207 -1.162 -4.372) 8.509 25.396 ( -5.477 -1.668 4.946) 7.566 25.462 ( -1.758 -1.002 0.938) 2.231 25.995 ( -9.555 -0.813 -2.691) 9.960 26.140 ( 2.109 1.353 0.242) 2.517 26.304 ( 5.073 -0.377 -0.620) 5.125 26.551 ( -5.094 -3.406 -10.669) 12.303 29.748 ( -0.253 8.135 0.254) 8.143 30.435 ( 0.933 -26.040 0.100) 26.057 32.073 ( 0.129 37.633 -1.178) 37.652 32.355 ( -1.028 -0.589 -17.082) 17.123 32.415 ( 0.980 0.335 -15.106) 15.142 32.440 ( -1.221 2.437 -18.513) 18.712 32.563 ( 0.295 -0.897 -20.834) 20.855 33.547 ( 2.875 -19.547 -5.822) 20.597 34.853 ( 1.741 2.243 33.183) 33.304 34.913 ( -0.431 -4.801 31.476) 31.843 35.214 ( -2.006 5.094 35.174) 35.598 35.411 ( 1.217 5.375 32.153) 32.622 ======================= Grid point 58 (46/69) ======================= q-point: (-0.18 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 103 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 18.027 0.000 14.486) 23.126 2.724 ( 31.092 0.000 -8.780) 32.308 3.172 ( -11.762 -0.000 15.701) 19.618 3.303 ( -11.309 -0.000 9.325) 14.657 3.622 ( -12.392 -0.000 17.698) 21.605 3.678 ( 8.068 0.000 18.568) 20.245 3.954 ( -7.636 -0.000 22.949) 24.186 3.964 ( 3.702 0.000 -0.884) 3.806 4.226 ( 2.339 0.000 5.754) 6.212 4.496 ( -9.020 -0.000 25.517) 27.065 4.564 ( -10.454 -0.000 -19.667) 22.273 4.971 ( 8.128 0.000 8.462) 11.734 5.074 ( -6.340 -0.000 -0.354) 6.350 5.273 ( 1.392 0.000 -1.715) 2.209 5.763 ( -4.116 -0.000 0.004) 4.116 5.816 ( 8.218 0.000 -6.066) 10.214 5.818 ( -0.327 0.000 -17.269) 17.272 6.121 ( 4.749 0.000 -15.856) 16.552 6.235 ( 2.349 0.000 4.093) 4.719 6.424 ( 0.946 0.000 -9.617) 9.664 6.528 ( -0.544 -0.000 -2.289) 2.353 6.963 ( 1.395 0.000 1.371) 1.956 7.135 ( 0.219 -0.000 10.283) 10.285 7.203 ( -0.783 -0.000 6.585) 6.632 7.292 ( -1.539 -0.000 0.215) 1.554 7.326 ( -1.092 -0.000 1.236) 1.649 7.528 ( -8.104 -0.000 4.605) 9.321 7.575 ( -2.364 -0.000 8.123) 8.460 7.648 ( 3.405 0.000 8.587) 9.237 7.748 ( -0.414 -0.000 10.960) 10.968 7.900 ( 5.242 0.000 14.174) 15.113 8.137 ( 6.073 0.000 12.721) 14.097 8.184 ( -0.992 -0.000 11.150) 11.195 8.428 ( 1.163 0.000 10.162) 10.228 8.498 ( -0.897 -0.000 0.311) 0.950 8.892 ( -6.175 -0.000 7.604) 9.796 8.986 ( 4.760 0.000 13.830) 14.626 9.395 ( 2.776 0.000 -2.656) 3.842 9.504 ( -1.861 -0.000 4.790) 5.139 9.662 ( 3.114 0.000 0.227) 3.122 9.700 ( 2.739 0.000 4.271) 5.074 9.995 ( 1.192 0.000 -3.732) 3.918 10.235 ( -0.113 0.000 -2.520) 2.523 10.327 ( -11.485 -0.000 5.282) 12.642 11.163 ( 2.735 0.000 -2.208) 3.515 11.231 ( 3.292 0.000 -2.011) 3.858 11.542 ( 0.803 0.000 5.652) 5.708 11.877 ( -3.093 -0.000 -9.045) 9.559 11.995 ( -4.733 -0.000 -9.221) 10.365 12.028 ( -3.559 -0.000 -14.663) 15.089 12.181 ( -2.033 -0.000 -1.684) 2.639 12.297 ( -6.666 -0.000 -8.769) 11.015 12.587 ( -2.367 -0.000 -3.577) 4.290 12.670 ( 6.135 0.000 -5.789) 8.435 13.084 ( 6.809 0.000 -3.101) 7.482 13.268 ( -2.478 -0.000 -6.468) 6.926 13.320 ( -1.029 -0.000 -8.809) 8.869 13.563 ( 2.786 0.000 2.570) 3.790 13.566 ( 4.425 0.000 1.795) 4.776 13.675 ( -5.565 -0.000 -5.829) 8.059 14.703 ( 1.319 0.000 0.005) 1.319 14.733 ( -0.239 -0.000 -1.726) 1.743 15.134 ( -8.044 -0.000 0.030) 8.045 15.207 ( 9.823 0.000 -1.065) 9.880 15.626 ( -3.841 -0.000 5.983) 7.110 15.954 ( 4.173 0.000 -1.562) 4.456 15.982 ( -1.350 -0.000 -0.031) 1.351 16.289 ( -1.904 -0.000 8.142) 8.362 16.312 ( 3.245 0.000 2.401) 4.036 16.629 ( 0.014 -0.000 6.767) 6.767 16.736 ( -0.239 -0.000 4.169) 4.175 16.826 ( -11.047 -0.000 -0.349) 11.052 17.095 ( 12.392 0.000 -0.421) 12.399 17.375 ( 0.810 0.000 5.073) 5.137 17.682 ( -7.820 -0.000 -4.552) 9.048 17.761 ( 10.448 0.000 -5.906) 12.002 18.276 ( -13.276 -0.000 8.336) 15.675 18.326 ( 8.505 0.000 5.904) 10.353 19.028 ( -3.735 -0.000 -0.807) 3.821 19.193 ( -5.930 -0.000 0.377) 5.942 19.413 ( 5.389 0.000 0.680) 5.431 19.476 ( 1.450 0.000 -2.224) 2.655 19.826 ( -0.582 -0.000 4.186) 4.226 20.090 ( 10.179 0.000 1.166) 10.246 23.376 ( 9.125 0.000 -5.105) 10.456 23.404 ( -8.849 -0.000 -2.301) 9.143 23.956 ( -17.452 -0.000 10.601) 20.419 24.083 ( 11.127 0.000 8.461) 13.979 24.954 ( -8.615 -0.000 -8.260) 11.935 25.102 ( 10.609 0.000 -7.068) 12.748 25.460 ( -0.104 -0.000 3.174) 3.176 25.472 ( 1.735 0.000 2.566) 3.097 26.061 ( 3.017 0.000 0.672) 3.091 26.161 ( -1.262 -0.000 -0.526) 1.367 26.264 ( -4.954 -0.000 -1.880) 5.299 26.655 ( 0.020 0.000 -17.657) 17.657 29.685 ( -1.056 -0.000 1.060) 1.496 30.789 ( 2.122 0.000 0.219) 2.133 31.566 ( -0.369 -0.000 -0.082) 0.378 32.358 ( 0.447 0.000 -19.060) 19.065 32.381 ( 1.874 0.000 -14.971) 15.088 32.478 ( -4.446 -0.000 -15.778) 16.393 32.570 ( 0.329 0.000 -22.709) 22.711 33.678 ( 3.302 0.000 -2.974) 4.444 34.789 ( 2.081 -0.000 33.056) 33.122 34.972 ( 0.208 -0.000 29.830) 29.831 35.227 ( -5.679 -0.000 34.753) 35.214 35.416 ( -4.906 -0.000 35.308) 35.647 ======================= Grid point 61 (47/69) ======================= q-point: (-0.18 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -0.833 7.905 0.000) 7.949 1.912 ( 17.843 6.814 -0.000) 19.100 2.349 ( 5.911 3.491 0.000) 6.865 2.725 ( -24.000 -21.350 -0.000) 32.122 3.237 ( -1.025 6.759 0.000) 6.837 3.368 ( -0.461 2.978 0.000) 3.014 3.470 ( 30.240 12.988 -0.000) 32.911 3.982 ( -12.513 -11.427 -0.000) 16.946 3.997 ( -14.716 9.188 0.000) 17.349 4.288 ( -4.690 11.489 0.000) 12.409 4.476 ( -8.561 -19.083 -0.000) 20.915 4.789 ( 6.903 -11.074 -0.000) 13.049 5.200 ( 6.029 9.493 0.000) 11.246 5.792 ( -0.934 26.390 0.000) 26.406 5.854 ( 4.376 -15.532 -0.000) 16.136 6.038 ( -0.952 9.015 0.000) 9.066 6.299 ( 2.963 7.615 0.000) 8.171 6.341 ( 5.178 7.388 0.000) 9.022 6.462 ( -11.496 -5.763 -0.000) 12.860 6.571 ( 1.196 -1.502 -0.000) 1.920 6.701 ( -5.171 -18.515 -0.000) 19.223 6.727 ( 7.372 -3.242 -0.000) 8.054 6.791 ( 1.095 1.791 0.000) 2.099 6.881 ( -9.550 -1.153 0.000) 9.619 7.025 ( 12.161 0.065 -0.000) 12.162 7.209 ( -4.079 -15.094 -0.000) 15.635 7.308 ( -10.721 0.129 0.000) 10.722 7.346 ( 2.035 -1.538 -0.000) 2.550 7.446 ( 3.888 -0.667 -0.000) 3.944 7.603 ( 6.609 -6.048 -0.000) 8.958 7.827 ( -0.701 5.117 0.000) 5.165 7.922 ( 12.645 13.641 0.000) 18.600 7.967 ( -8.649 12.924 0.000) 15.551 8.159 ( -0.216 -9.391 -0.000) 9.393 8.360 ( -5.121 -10.490 -0.000) 11.673 8.704 ( 6.511 -9.606 -0.000) 11.604 8.854 ( -3.456 16.130 0.000) 16.496 9.356 ( -5.346 -1.741 0.000) 5.622 9.510 ( 8.225 3.090 -0.000) 8.787 9.583 ( 4.638 -3.670 -0.000) 5.915 9.715 ( -0.090 7.194 0.000) 7.195 10.123 ( 2.660 4.278 0.000) 5.037 10.133 ( -9.514 -9.112 -0.000) 13.173 10.240 ( -1.483 -5.601 -0.000) 5.794 11.221 ( 5.210 -0.919 -0.000) 5.290 11.223 ( -3.185 -4.297 -0.000) 5.349 11.575 ( 5.883 16.350 0.000) 17.376 11.956 ( -6.937 -7.018 -0.000) 9.868 12.079 ( -11.685 7.590 0.000) 13.934 12.305 ( -5.444 -0.357 0.000) 5.455 12.447 ( -4.286 -1.122 0.000) 4.431 12.453 ( 3.261 0.642 -0.000) 3.324 12.686 ( -4.057 1.592 0.000) 4.359 12.851 ( 3.178 -2.301 -0.000) 3.924 13.097 ( 4.469 2.771 0.000) 5.258 13.289 ( 7.922 -4.186 -0.000) 8.959 13.465 ( -5.596 -3.553 -0.000) 6.629 13.551 ( 6.804 0.188 -0.000) 6.807 13.674 ( 0.347 4.794 0.000) 4.806 13.826 ( -0.949 -3.007 -0.000) 3.153 14.707 ( 0.222 -0.517 -0.000) 0.563 14.754 ( -1.301 -2.573 -0.000) 2.884 15.311 ( -10.050 -1.735 0.000) 10.199 15.418 ( 5.630 2.089 -0.000) 6.005 15.585 ( -0.477 4.107 0.000) 4.135 15.834 ( 0.935 7.085 0.000) 7.146 15.903 ( 5.261 -4.730 -0.000) 7.074 16.141 ( -1.896 3.443 0.000) 3.931 16.181 ( 2.282 -6.118 -0.000) 6.530 16.329 ( -0.097 -3.534 -0.000) 3.535 16.722 ( -1.336 5.665 0.000) 5.820 16.825 ( -10.919 -1.379 0.000) 11.006 17.132 ( 11.387 2.425 -0.000) 11.642 17.159 ( 2.226 -4.043 -0.000) 4.616 17.870 ( -8.514 -2.837 0.000) 8.974 17.923 ( -15.439 -3.031 0.000) 15.734 18.020 ( 10.155 0.596 -0.000) 10.173 18.081 ( 13.922 4.000 -0.000) 14.486 19.105 ( -5.360 3.055 0.000) 6.169 19.209 ( -6.513 1.912 0.000) 6.787 19.393 ( -0.304 -1.293 -0.000) 1.328 19.569 ( -11.352 3.448 0.000) 11.864 19.695 ( 12.808 -2.679 -0.000) 13.086 19.999 ( 16.913 -3.325 -0.000) 17.237 23.503 ( -6.968 -3.634 -0.000) 7.858 23.531 ( -7.131 -4.750 -0.000) 8.568 23.716 ( -0.203 6.333 0.000) 6.337 23.845 ( 10.655 5.383 0.000) 11.937 25.227 ( -9.395 -1.383 0.000) 9.496 25.271 ( -1.550 -1.717 -0.000) 2.313 25.329 ( 4.009 0.817 -0.000) 4.091 25.338 ( 4.593 -0.315 -0.000) 4.604 26.075 ( 3.402 2.099 0.000) 3.997 26.155 ( 4.334 -1.349 -0.000) 4.539 26.360 ( -13.046 7.120 0.000) 14.862 27.083 ( -9.276 -17.046 -0.000) 19.406 29.742 ( 0.878 9.335 0.000) 9.376 30.398 ( 1.185 -25.450 -0.000) 25.478 32.124 ( -2.905 41.803 0.000) 41.903 32.997 ( 1.337 0.239 -0.000) 1.359 33.063 ( -1.441 -3.508 -0.000) 3.792 33.348 ( 0.789 8.389 0.000) 8.426 33.529 ( 1.944 -13.930 -0.000) 14.065 33.676 ( 6.668 -7.050 -0.000) 9.703 33.689 ( 0.380 1.512 0.000) 1.559 33.784 ( -0.462 -3.909 -0.000) 3.936 33.939 ( -0.834 3.577 0.000) 3.673 34.069 ( 0.852 -1.775 -0.000) 1.969 ======================= Grid point 62 (48/69) ======================= q-point: (-0.19 0.31 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 0.000 -29.451 16.478) 33.748 1.817 ( 0.000 -21.495 47.841) 52.448 2.766 ( 0.000 9.089 32.766) 34.004 2.856 ( 0.000 -56.735 11.484) 57.885 3.291 ( -0.000 31.391 9.507) 32.799 3.592 ( 0.000 -5.826 26.732) 27.360 3.763 ( 0.000 -0.969 28.552) 28.568 3.952 ( -0.000 8.687 -13.646) 16.177 4.258 ( -0.000 13.584 6.453) 15.039 4.390 ( -0.000 29.553 0.797) 29.564 4.525 ( -0.000 7.610 -6.860) 10.246 4.801 ( -0.000 -0.040 -2.384) 2.384 5.563 ( -0.000 3.931 -0.730) 3.999 5.710 ( -0.000 0.780 -18.063) 18.080 5.715 ( 0.000 -24.893 5.214) 25.433 5.835 ( 0.000 -14.500 -7.025) 16.112 6.005 ( -0.000 20.213 -16.881) 26.335 6.378 ( -0.000 1.497 -1.126) 1.873 6.450 ( 0.000 -11.750 4.668) 12.643 6.503 ( 0.000 -14.187 -10.304) 17.534 6.590 ( 0.000 -11.241 9.999) 15.045 6.649 ( -0.000 10.243 -8.840) 13.530 6.800 ( -0.000 3.715 -10.482) 11.121 6.846 ( -0.000 19.951 6.067) 20.853 6.900 ( 0.000 -6.890 2.687) 7.395 7.211 ( 0.000 -6.331 2.897) 6.962 7.323 ( 0.000 -5.677 -6.697) 8.779 7.399 ( 0.000 3.586 25.456) 25.708 7.550 ( -0.000 4.113 -3.220) 5.224 7.692 ( 0.000 -3.038 16.729) 17.003 7.896 ( 0.000 -8.682 5.878) 10.484 8.002 ( 0.000 -2.081 14.211) 14.362 8.125 ( -0.000 19.311 1.847) 19.399 8.452 ( 0.000 -4.711 15.242) 15.954 8.528 ( 0.000 -11.114 -0.160) 11.115 8.853 ( -0.000 18.214 -4.337) 18.724 8.934 ( -0.000 8.203 0.621) 8.226 9.180 ( 0.000 -4.547 3.868) 5.970 9.417 ( 0.000 -15.928 1.200) 15.973 9.683 ( 0.000 -12.813 1.414) 12.891 9.703 ( 0.000 -1.619 -2.251) 2.773 9.903 ( -0.000 11.242 3.062) 11.652 10.042 ( 0.000 -8.312 2.494) 8.678 10.425 ( -0.000 17.500 -5.432) 18.323 11.156 ( 0.000 -1.236 2.768) 3.032 11.357 ( -0.000 0.124 -2.656) 2.659 11.702 ( 0.000 -7.487 1.168) 7.578 12.006 ( -0.000 12.141 -0.593) 12.156 12.110 ( -0.000 18.205 -2.672) 18.400 12.143 ( -0.000 0.308 -0.983) 1.030 12.212 ( -0.000 -1.542 -7.996) 8.143 12.521 ( -0.000 3.848 -7.635) 8.550 12.538 ( -0.000 1.180 -3.520) 3.713 12.857 ( -0.000 -1.672 -3.174) 3.587 13.217 ( 0.000 -2.726 -2.788) 3.899 13.248 ( 0.000 -0.628 -0.600) 0.868 13.319 ( 0.000 -7.813 -0.911) 7.866 13.725 ( -0.000 1.955 -2.929) 3.522 13.726 ( -0.000 -2.911 -5.145) 5.911 13.759 ( -0.000 5.841 -5.099) 7.754 14.655 ( 0.000 -2.685 -0.473) 2.727 14.675 ( 0.000 -0.970 -1.486) 1.774 14.887 ( 0.000 -3.372 -4.475) 5.603 15.520 ( -0.000 -0.890 -7.883) 7.933 15.573 ( -0.000 6.227 1.995) 6.539 15.932 ( 0.000 -5.372 -0.422) 5.389 16.079 ( -0.000 3.382 -0.148) 3.385 16.165 ( 0.000 3.240 8.816) 9.392 16.206 ( 0.000 -8.077 9.534) 12.496 16.322 ( 0.000 -1.893 7.997) 8.218 16.556 ( 0.000 -2.304 1.808) 2.928 16.943 ( -0.000 12.854 3.228) 13.253 17.077 ( 0.000 -12.947 0.494) 12.957 17.414 ( -0.000 2.049 -2.518) 3.246 17.575 ( 0.000 2.083 4.643) 5.089 17.638 ( 0.000 -4.506 3.248) 5.555 18.275 ( -0.000 0.080 -2.900) 2.901 18.500 ( -0.000 4.091 -6.515) 7.693 19.011 ( 0.000 -2.406 -0.005) 2.406 19.141 ( 0.000 5.596 10.152) 11.592 19.205 ( -0.000 3.778 4.382) 5.786 19.496 ( 0.000 -0.837 1.617) 1.821 19.875 ( 0.000 -5.289 -5.722) 7.792 20.323 ( 0.000 -6.641 -8.983) 11.172 23.099 ( 0.000 -2.041 1.980) 2.844 23.378 ( 0.000 -0.236 6.081) 6.086 24.050 ( -0.000 5.478 -7.346) 9.163 24.391 ( -0.000 9.930 -5.567) 11.384 24.828 ( 0.000 -3.305 6.284) 7.100 25.144 ( 0.000 -2.640 4.228) 4.984 25.347 ( 0.000 -4.071 -1.643) 4.390 25.393 ( 0.000 -1.451 0.838) 1.676 25.838 ( 0.000 -3.995 -0.132) 3.997 26.210 ( -0.000 1.949 -0.532) 2.020 26.299 ( 0.000 -9.311 1.342) 9.408 26.557 ( -0.000 -1.143 -3.988) 4.148 29.991 ( 0.000 -5.860 0.270) 5.866 30.040 ( -0.000 6.085 -1.785) 6.342 32.673 ( -0.000 -1.976 -20.282) 20.378 32.698 ( -0.000 -8.019 -16.868) 18.677 32.815 ( -0.000 33.360 -2.359) 33.443 33.007 ( -0.000 -3.692 -28.146) 28.388 33.007 ( -0.000 4.856 -30.829) 31.209 33.321 ( 0.000 -22.697 -13.725) 26.525 34.146 ( 0.000 -3.769 33.517) 33.728 34.232 ( 0.000 3.589 35.421) 35.602 34.573 ( 0.000 5.041 38.540) 38.869 34.947 ( 0.000 18.094 46.555) 49.948 ======================= Grid point 63 (49/69) ======================= q-point: (-0.19 0.56 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 0.000 -14.253 14.788) 20.539 3.096 ( 0.000 -24.435 -2.448) 24.557 3.242 ( -0.000 -0.115 -14.433) 14.433 3.288 ( -0.000 20.135 12.998) 23.966 3.546 ( 0.000 2.165 11.533) 11.734 3.615 ( -0.000 16.027 -5.845) 17.059 4.261 ( -0.000 4.809 1.970) 5.197 4.289 ( -0.000 23.755 -0.665) 23.764 4.401 ( -0.000 3.818 1.964) 4.293 4.571 ( 0.000 -4.197 8.596) 9.566 4.833 ( 0.000 -8.471 11.991) 14.681 4.846 ( 0.000 2.785 17.590) 17.809 5.047 ( -0.000 3.900 -0.205) 3.905 5.130 ( 0.000 -8.591 3.982) 9.469 5.368 ( -0.000 2.635 -12.739) 13.009 5.629 ( 0.000 -12.623 -18.565) 22.450 6.068 ( 0.000 -11.482 -6.254) 13.075 6.216 ( -0.000 -3.093 -6.688) 7.369 6.222 ( -0.000 13.338 -3.133) 13.701 6.403 ( -0.000 5.192 3.572) 6.302 6.575 ( 0.000 -11.224 9.187) 14.504 6.812 ( 0.000 -5.998 -3.780) 7.090 6.927 ( -0.000 8.751 5.771) 10.483 6.951 ( -0.000 5.235 -5.447) 7.555 7.234 ( 0.000 -12.923 4.590) 13.713 7.351 ( 0.000 1.151 4.823) 4.958 7.511 ( 0.000 -11.422 5.672) 12.753 7.597 ( 0.000 -6.163 -1.062) 6.254 7.918 ( -0.000 17.761 16.047) 23.936 8.140 ( -0.000 11.115 -6.764) 13.012 8.430 ( 0.000 2.577 10.526) 10.837 8.462 ( 0.000 -4.265 15.572) 16.145 8.568 ( 0.000 -0.395 10.349) 10.357 8.673 ( 0.000 -3.581 10.623) 11.210 8.779 ( 0.000 2.060 10.487) 10.687 8.817 ( 0.000 -0.982 9.156) 9.209 9.109 ( 0.000 -2.211 -0.119) 2.215 9.400 ( 0.000 0.865 4.360) 4.445 9.512 ( -0.000 2.916 -2.620) 3.920 9.672 ( 0.000 -4.768 -1.352) 4.956 9.865 ( 0.000 -3.399 -3.925) 5.192 9.928 ( 0.000 3.637 7.420) 8.263 10.112 ( -0.000 1.565 -4.427) 4.695 10.142 ( 0.000 -4.847 3.147) 5.779 11.189 ( -0.000 -0.435 -0.817) 0.926 11.376 ( 0.000 0.488 1.710) 1.778 11.668 ( -0.000 -1.231 -6.981) 7.088 11.707 ( -0.000 2.418 -7.456) 7.838 11.736 ( -0.000 7.356 -6.768) 9.996 11.819 ( -0.000 7.757 -2.371) 8.112 11.935 ( -0.000 -1.326 -9.389) 9.482 12.288 ( 0.000 3.473 6.070) 6.994 12.373 ( 0.000 -7.617 -3.767) 8.497 12.706 ( -0.000 -0.815 -4.478) 4.551 13.018 ( -0.000 -1.825 -5.171) 5.484 13.217 ( -0.000 3.869 -5.407) 6.648 13.359 ( 0.000 -4.751 -0.776) 4.814 13.418 ( 0.000 -0.560 4.857) 4.889 13.480 ( -0.000 2.190 -6.334) 6.702 13.614 ( -0.000 -1.237 -5.106) 5.254 14.663 ( -0.000 -0.848 -1.612) 1.821 14.733 ( 0.000 -0.956 0.545) 1.101 15.114 ( 0.000 -2.223 13.990) 14.166 15.511 ( -0.000 2.000 -6.000) 6.325 15.578 ( 0.000 -1.389 7.674) 7.799 15.918 ( -0.000 -1.507 -6.928) 7.090 15.968 ( -0.000 5.732 2.988) 6.464 16.379 ( -0.000 4.240 2.714) 5.034 16.510 ( 0.000 -5.981 -1.385) 6.139 16.538 ( 0.000 -3.013 3.980) 4.992 16.659 ( -0.000 1.542 0.230) 1.559 16.827 ( -0.000 9.926 1.763) 10.081 17.350 ( 0.000 -0.621 -0.365) 0.720 17.351 ( 0.000 -9.811 0.975) 9.859 17.804 ( 0.000 0.928 8.267) 8.319 17.956 ( 0.000 -4.166 6.837) 8.006 18.110 ( -0.000 0.002 -5.128) 5.128 18.135 ( -0.000 4.189 -7.342) 8.453 19.019 ( -0.000 -0.126 -0.858) 0.867 19.341 ( 0.000 -0.395 3.200) 3.224 19.347 ( -0.000 6.356 3.950) 7.483 19.571 ( -0.000 1.210 1.338) 1.804 19.843 ( 0.000 -4.648 0.670) 4.696 20.176 ( -0.000 -2.987 -6.849) 7.473 23.319 ( 0.000 -2.637 6.854) 7.344 23.607 ( -0.000 3.395 -9.406) 10.000 23.696 ( 0.000 -4.347 7.064) 8.294 23.992 ( -0.000 6.822 -4.604) 8.230 25.129 ( 0.000 -1.428 4.425) 4.649 25.299 ( -0.000 -1.596 -3.910) 4.223 25.371 ( 0.000 -1.708 2.346) 2.902 25.419 ( -0.000 0.909 0.187) 0.928 25.863 ( 0.000 -0.838 -1.410) 1.640 26.162 ( -0.000 0.930 0.110) 0.936 26.318 ( -0.000 0.948 -4.096) 4.204 26.358 ( 0.000 -2.298 -2.946) 3.736 29.758 ( -0.000 7.385 1.050) 7.459 30.437 ( 0.000 -25.674 -0.783) 25.686 32.034 ( -0.000 29.450 -3.138) 29.616 32.089 ( -0.000 0.181 -8.851) 8.853 32.158 ( -0.000 0.364 -8.817) 8.824 32.180 ( -0.000 1.099 -9.372) 9.436 32.302 ( -0.000 7.835 -6.351) 10.086 33.469 ( 0.000 -20.351 -3.959) 20.733 35.397 ( 0.000 -2.365 16.859) 17.024 35.405 ( 0.000 1.468 19.855) 19.909 35.768 ( 0.000 2.276 22.017) 22.135 35.939 ( 0.000 4.430 20.571) 21.043 ======================= Grid point 64 (50/69) ======================= q-point: (-0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -0.000 0.000 -38.695) 38.695 2.181 ( -0.000 0.000 -32.833) 32.833 3.179 ( -0.000 0.000 -0.974) 0.974 3.616 ( 0.000 -0.000 11.176) 11.176 3.794 ( 0.000 -0.000 16.299) 16.299 3.871 ( -0.000 0.000 -14.604) 14.604 4.171 ( -0.000 0.000 -11.326) 11.326 4.224 ( -0.000 0.000 -5.064) 5.064 4.575 ( 0.000 -0.000 25.830) 25.830 4.784 ( -0.000 0.000 -1.220) 1.220 4.804 ( -0.000 0.000 -10.058) 10.058 5.000 ( 0.000 -0.000 4.846) 4.846 5.039 ( -0.000 0.000 -0.653) 0.653 5.241 ( 0.000 -0.000 6.655) 6.655 5.437 ( 0.000 -0.000 1.398) 1.398 5.710 ( -0.000 0.000 -10.715) 10.715 5.894 ( 0.000 -0.000 1.182) 1.182 6.046 ( 0.000 -0.000 11.838) 11.838 6.060 ( -0.000 0.000 -6.211) 6.211 6.378 ( 0.000 -0.000 0.946) 0.946 6.651 ( -0.000 0.000 -1.894) 1.894 6.728 ( -0.000 0.000 -3.095) 3.095 6.838 ( 0.000 -0.000 1.764) 1.764 7.051 ( -0.000 0.000 -0.021) 0.021 7.212 ( -0.000 0.000 -5.507) 5.507 7.290 ( -0.000 0.000 -14.499) 14.499 7.580 ( -0.000 0.000 -0.824) 0.824 7.663 ( -0.000 0.000 -2.428) 2.428 7.998 ( -0.000 0.000 -0.435) 0.435 8.106 ( -0.000 0.000 -3.196) 3.196 8.170 ( -0.000 0.000 -16.509) 16.509 8.479 ( -0.000 0.000 -2.828) 2.828 8.620 ( -0.000 0.000 -16.421) 16.421 8.677 ( -0.000 0.000 -14.994) 14.994 8.835 ( -0.000 0.000 -6.702) 6.702 8.881 ( -0.000 0.000 -8.895) 8.895 9.131 ( 0.000 -0.000 5.540) 5.540 9.370 ( -0.000 0.000 -0.823) 0.823 9.378 ( -0.000 0.000 -5.043) 5.043 9.713 ( -0.000 0.000 -7.241) 7.241 9.754 ( -0.000 0.000 -7.630) 7.630 9.795 ( 0.000 -0.000 3.640) 3.640 10.243 ( 0.000 -0.000 2.198) 2.198 10.417 ( 0.000 -0.000 6.817) 6.817 11.161 ( 0.000 -0.000 1.681) 1.681 11.281 ( -0.000 0.000 -1.649) 1.649 11.605 ( 0.000 -0.000 9.501) 9.501 11.685 ( -0.000 0.000 -2.911) 2.911 11.820 ( 0.000 -0.000 12.235) 12.235 11.882 ( 0.000 -0.000 10.345) 10.345 12.092 ( 0.000 -0.000 19.135) 19.135 12.453 ( 0.000 -0.000 0.460) 0.460 12.578 ( -0.000 0.000 -1.931) 1.931 12.595 ( 0.000 -0.000 7.479) 7.479 12.964 ( 0.000 -0.000 3.825) 3.825 13.141 ( -0.000 0.000 -4.767) 4.767 13.285 ( 0.000 -0.000 1.409) 1.409 13.484 ( 0.000 -0.000 6.421) 6.421 13.557 ( 0.000 -0.000 1.249) 1.249 13.586 ( 0.000 -0.000 5.911) 5.911 14.593 ( -0.000 0.000 -1.314) 1.314 14.726 ( -0.000 0.000 -0.898) 0.898 14.970 ( -0.000 0.000 -15.323) 15.323 15.543 ( -0.000 0.000 -9.014) 9.014 15.621 ( 0.000 -0.000 6.816) 6.816 15.853 ( 0.000 -0.000 2.231) 2.231 16.082 ( 0.000 -0.000 2.120) 2.120 16.301 ( -0.000 0.000 -2.452) 2.452 16.440 ( -0.000 0.000 -4.563) 4.563 16.574 ( -0.000 0.000 -2.157) 2.157 16.645 ( -0.000 0.000 -3.516) 3.516 16.766 ( 0.000 -0.000 1.726) 1.726 17.371 ( 0.000 -0.000 1.172) 1.172 17.440 ( -0.000 0.000 -1.793) 1.793 17.740 ( -0.000 0.000 -7.952) 7.952 17.867 ( -0.000 0.000 -6.968) 6.968 18.095 ( 0.000 -0.000 6.135) 6.135 18.325 ( 0.000 -0.000 8.108) 8.108 18.972 ( -0.000 0.000 -1.182) 1.182 19.343 ( 0.000 -0.000 1.004) 1.004 19.438 ( 0.000 -0.000 0.711) 0.711 19.532 ( -0.000 0.000 -2.648) 2.648 19.815 ( -0.000 0.000 -12.372) 12.372 19.968 ( 0.000 -0.000 1.559) 1.559 23.220 ( -0.000 0.000 -6.893) 6.893 23.621 ( -0.000 0.000 -6.084) 6.084 23.740 ( 0.000 -0.000 11.457) 11.457 24.232 ( 0.000 -0.000 12.001) 12.001 25.068 ( -0.000 0.000 -7.469) 7.469 25.209 ( 0.000 -0.000 0.434) 0.434 25.253 ( -0.000 0.000 -5.467) 5.467 25.441 ( -0.000 0.000 -1.293) 1.293 25.778 ( -0.000 0.000 -1.915) 1.915 26.198 ( 0.000 -0.000 1.654) 1.654 26.238 ( -0.000 0.000 -3.075) 3.075 26.390 ( 0.000 -0.000 5.180) 5.180 29.740 ( 0.000 -0.000 0.985) 0.985 30.744 ( -0.000 0.000 -2.033) 2.033 31.574 ( 0.000 -0.000 0.462) 0.462 32.076 ( 0.000 -0.000 7.631) 7.631 32.091 ( 0.000 -0.000 7.209) 7.209 32.203 ( 0.000 -0.000 11.826) 11.826 32.422 ( 0.000 -0.000 14.253) 14.253 33.597 ( -0.000 0.000 -0.736) 0.736 35.283 ( -0.000 0.000 -21.618) 21.618 35.435 ( -0.000 0.000 -17.201) 17.201 35.881 ( -0.000 0.000 -16.901) 16.901 36.416 ( 0.000 -0.000 3.330) 3.330 ======================= Grid point 66 (51/69) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 28.194 0.000 -0.000) 28.194 1.358 ( 30.567 0.000 -0.000) 30.567 2.458 ( 55.292 0.000 -0.000) 55.292 2.619 ( -5.863 -0.000 0.000) 5.863 3.119 ( -1.640 -0.000 0.000) 1.640 3.194 ( -4.897 -0.000 0.000) 4.897 3.586 ( -18.926 -0.000 0.000) 18.926 4.181 ( -20.853 -0.000 0.000) 20.853 4.315 ( -8.521 -0.000 0.000) 8.521 4.374 ( -14.486 -0.000 0.000) 14.486 4.831 ( 9.950 0.000 -0.000) 9.950 4.931 ( 2.749 0.000 -0.000) 2.749 5.038 ( -6.141 -0.000 0.000) 6.141 5.417 ( -1.107 -0.000 0.000) 1.107 5.938 ( 3.487 0.000 -0.000) 3.487 5.950 ( 2.500 0.000 -0.000) 2.500 6.089 ( 5.435 0.000 -0.000) 5.435 6.223 ( -0.642 -0.000 0.000) 0.642 6.492 ( 17.935 0.000 -0.000) 17.935 6.536 ( 1.838 0.000 -0.000) 1.838 6.733 ( -6.080 -0.000 0.000) 6.080 6.802 ( 11.701 0.000 -0.000) 11.701 6.857 ( -14.597 -0.000 0.000) 14.597 6.963 ( 1.363 0.000 -0.000) 1.363 7.126 ( -9.975 -0.000 0.000) 9.975 7.240 ( 0.190 0.000 -0.000) 0.190 7.448 ( -0.767 -0.000 0.000) 0.767 7.458 ( 3.985 0.000 -0.000) 3.985 7.469 ( 7.131 0.000 -0.000) 7.131 7.510 ( 7.104 0.000 -0.000) 7.104 7.614 ( -10.726 -0.000 0.000) 10.726 7.742 ( -2.015 -0.000 0.000) 2.015 8.028 ( -9.133 -0.000 0.000) 9.133 8.325 ( 1.851 0.000 -0.000) 1.851 8.559 ( 1.734 0.000 -0.000) 1.734 8.646 ( -12.436 -0.000 0.000) 12.436 8.828 ( 0.192 0.000 -0.000) 0.192 9.290 ( 10.797 0.000 -0.000) 10.797 9.401 ( 0.710 0.000 -0.000) 0.710 9.596 ( -7.323 -0.000 0.000) 7.323 9.621 ( 5.271 0.000 -0.000) 5.271 9.987 ( 11.016 0.000 -0.000) 11.016 10.255 ( 2.098 0.000 -0.000) 2.098 10.473 ( -13.752 -0.000 0.000) 13.752 11.220 ( 3.727 0.000 -0.000) 3.727 11.291 ( -1.450 -0.000 0.000) 1.450 11.328 ( -2.609 -0.000 0.000) 2.609 12.124 ( -4.805 -0.000 0.000) 4.805 12.278 ( -10.903 -0.000 0.000) 10.903 12.366 ( 4.958 0.000 -0.000) 4.958 12.398 ( -2.090 -0.000 0.000) 2.090 12.536 ( -3.362 -0.000 0.000) 3.362 12.754 ( -4.122 -0.000 0.000) 4.122 12.811 ( 3.571 0.000 -0.000) 3.571 12.988 ( 0.878 0.000 -0.000) 0.878 13.186 ( 5.256 0.000 -0.000) 5.256 13.412 ( 6.850 0.000 -0.000) 6.850 13.582 ( 0.693 0.000 -0.000) 0.693 13.656 ( -6.802 -0.000 0.000) 6.802 13.900 ( -2.662 -0.000 0.000) 2.662 14.703 ( 0.584 0.000 -0.000) 0.584 14.830 ( -2.321 -0.000 0.000) 2.321 15.215 ( 11.923 0.000 -0.000) 11.923 15.486 ( -6.170 -0.000 0.000) 6.170 15.593 ( -5.233 -0.000 0.000) 5.233 15.743 ( 0.296 0.000 -0.000) 0.296 15.852 ( 4.819 0.000 -0.000) 4.819 16.124 ( -0.025 -0.000 0.000) 0.025 16.186 ( 2.606 0.000 -0.000) 2.606 16.368 ( -0.395 -0.000 0.000) 0.395 16.728 ( -2.359 -0.000 0.000) 2.359 16.837 ( 14.520 0.000 -0.000) 14.520 17.088 ( -13.686 -0.000 0.000) 13.686 17.158 ( 0.688 0.000 -0.000) 0.688 17.775 ( 11.502 0.000 -0.000) 11.502 17.810 ( 9.776 0.000 -0.000) 9.776 18.127 ( -12.236 -0.000 0.000) 12.236 18.275 ( -15.997 -0.000 0.000) 15.997 19.135 ( 1.025 0.000 -0.000) 1.025 19.283 ( -4.992 -0.000 0.000) 4.992 19.334 ( 5.708 0.000 -0.000) 5.708 19.489 ( 8.974 0.000 -0.000) 8.974 19.701 ( 16.418 0.000 -0.000) 16.418 19.757 ( -10.387 -0.000 0.000) 10.387 23.411 ( 7.608 0.000 -0.000) 7.608 23.540 ( 10.114 0.000 -0.000) 10.114 23.856 ( -14.635 -0.000 0.000) 14.635 23.998 ( -21.073 -0.000 0.000) 21.073 25.175 ( 8.686 0.000 -0.000) 8.686 25.199 ( 8.797 0.000 -0.000) 8.797 25.300 ( 1.127 0.000 -0.000) 1.127 25.351 ( -2.047 -0.000 0.000) 2.047 25.978 ( 3.329 0.000 -0.000) 3.329 26.151 ( -2.540 -0.000 0.000) 2.540 26.476 ( -6.220 -0.000 0.000) 6.220 27.563 ( -13.246 -0.000 0.000) 13.246 29.651 ( -0.144 -0.000 0.000) 0.144 30.727 ( 2.651 0.000 -0.000) 2.651 31.577 ( -0.495 -0.000 0.000) 0.495 32.959 ( 1.830 0.000 -0.000) 1.830 33.152 ( -1.528 -0.000 0.000) 1.528 33.200 ( 1.848 0.000 -0.000) 1.848 33.649 ( 4.745 0.000 -0.000) 4.745 33.655 ( -1.082 -0.000 0.000) 1.082 33.667 ( 0.369 0.000 -0.000) 0.369 33.854 ( -0.609 -0.000 0.000) 0.609 33.903 ( -0.778 -0.000 0.000) 0.778 34.069 ( 0.821 0.000 -0.000) 0.821 ======================= Grid point 68 (52/69) ======================= q-point: (-0.20 0.70 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 7.635 0.000 -0.000) 7.635 2.728 ( -15.028 -0.000 -0.000) 15.028 3.191 ( 7.114 0.000 -0.000) 7.114 3.369 ( -6.473 0.000 -0.000) 6.473 3.746 ( 10.476 0.000 -0.000) 10.476 4.037 ( -16.061 0.000 -0.000) 16.061 4.104 ( 5.155 0.000 -0.000) 5.155 4.218 ( -4.940 0.000 -0.000) 4.940 4.589 ( 5.425 0.000 -0.000) 5.425 4.676 ( -3.725 -0.000 -0.000) 3.725 4.998 ( 10.683 0.000 -0.000) 10.683 5.065 ( 5.409 -0.000 0.000) 5.409 5.184 ( 2.087 0.000 0.000) 2.087 5.191 ( 1.082 0.000 -0.000) 1.082 5.248 ( -2.636 0.000 0.000) 2.636 5.313 ( -11.033 0.000 -0.000) 11.033 5.737 ( 7.181 0.000 -0.000) 7.181 5.870 ( -6.137 0.000 -0.000) 6.137 6.392 ( 1.143 -0.000 -0.000) 1.143 6.465 ( -4.492 0.000 -0.000) 4.492 6.721 ( 2.117 -0.000 -0.000) 2.117 6.765 ( -0.899 0.000 -0.000) 0.899 7.042 ( 7.886 0.000 -0.000) 7.886 7.179 ( -4.144 -0.000 -0.000) 4.144 7.289 ( 8.766 0.000 -0.000) 8.766 7.375 ( 2.863 -0.000 -0.000) 2.863 7.494 ( 2.848 0.000 -0.000) 2.848 7.588 ( -0.877 0.000 -0.000) 0.877 7.946 ( -6.628 -0.000 -0.000) 6.628 7.997 ( -10.443 0.000 -0.000) 10.443 8.554 ( 2.643 -0.000 -0.000) 2.643 8.589 ( -0.933 0.000 -0.000) 0.933 8.657 ( 1.072 0.000 -0.000) 1.072 8.706 ( -3.805 -0.000 -0.000) 3.805 9.016 ( 0.824 0.000 -0.000) 0.824 9.025 ( 0.074 -0.000 -0.000) 0.074 9.125 ( 11.413 0.000 -0.000) 11.413 9.320 ( -8.462 0.000 -0.000) 8.462 9.527 ( -0.260 0.000 -0.000) 0.260 9.528 ( -0.468 -0.000 0.000) 0.468 10.054 ( 0.139 0.000 0.000) 0.139 10.056 ( 0.305 0.000 -0.000) 0.305 10.116 ( 9.482 0.000 -0.000) 9.482 10.220 ( -0.503 0.000 -0.000) 0.503 11.116 ( -1.224 -0.000 -0.000) 1.224 11.160 ( -5.837 0.000 -0.000) 5.837 11.601 ( 0.367 0.000 -0.000) 0.367 11.612 ( -0.611 -0.000 0.000) 0.611 11.771 ( 0.006 0.000 0.000) 0.006 11.772 ( -0.482 -0.000 -0.000) 0.482 12.099 ( 3.301 -0.000 -0.000) 3.301 12.139 ( 0.021 0.000 -0.000) 0.021 12.412 ( -0.252 -0.000 -0.000) 0.252 12.447 ( -4.479 0.000 -0.000) 4.479 12.936 ( -0.123 0.000 -0.000) 0.123 12.983 ( -5.173 -0.000 -0.000) 5.173 13.358 ( 2.203 0.000 -0.000) 2.203 13.375 ( 0.301 0.000 -0.000) 0.301 13.685 ( 2.865 0.000 -0.000) 2.865 13.693 ( 2.032 -0.000 -0.000) 2.032 14.676 ( 1.637 0.000 -0.000) 1.637 14.705 ( -1.249 0.000 -0.000) 1.249 15.286 ( -0.563 0.000 -0.000) 0.563 15.298 ( -1.856 -0.000 0.000) 1.856 15.779 ( 1.148 0.000 0.000) 1.148 15.783 ( 0.719 -0.000 -0.000) 0.719 16.139 ( 2.085 -0.000 -0.000) 2.085 16.202 ( -4.433 0.000 -0.000) 4.433 16.649 ( 2.190 0.000 0.000) 2.190 16.650 ( 1.608 -0.000 -0.000) 1.608 16.787 ( 9.101 0.000 -0.000) 9.101 16.955 ( -7.756 0.000 -0.000) 7.756 17.153 ( 4.330 0.000 -0.000) 4.330 17.264 ( -6.668 0.000 -0.000) 6.668 17.587 ( -1.779 0.000 -0.000) 1.779 17.634 ( -5.827 0.000 -0.000) 5.827 18.427 ( 5.652 -0.000 0.000) 5.652 18.437 ( 5.020 0.000 -0.000) 5.020 19.179 ( 4.920 0.000 -0.000) 4.920 19.242 ( -3.629 -0.000 -0.000) 3.629 19.329 ( -2.788 0.000 -0.000) 2.788 19.379 ( -4.985 0.000 -0.000) 4.985 19.979 ( 3.594 0.000 -0.000) 3.594 20.027 ( -1.584 -0.000 -0.000) 1.584 23.303 ( -0.938 0.000 -0.000) 0.938 23.317 ( -2.620 -0.000 0.000) 2.620 24.259 ( 14.899 -0.000 0.000) 14.899 24.333 ( 8.346 0.000 -0.000) 8.346 24.798 ( -11.467 0.000 -0.000) 11.467 24.802 ( -10.644 -0.000 0.000) 10.644 25.515 ( 1.439 0.000 -0.000) 1.439 25.520 ( 0.905 0.000 -0.000) 0.905 26.063 ( 8.340 0.000 -0.000) 8.340 26.203 ( -5.706 0.000 0.000) 5.706 26.219 ( 1.972 -0.000 -0.000) 1.972 26.257 ( -1.761 0.000 -0.000) 1.761 29.990 ( 1.367 -0.000 -0.000) 1.367 30.018 ( -1.449 0.000 -0.000) 1.449 32.027 ( 0.857 0.000 -0.000) 0.857 32.045 ( -0.926 0.000 -0.000) 0.926 32.093 ( 0.857 0.000 -0.000) 0.857 32.109 ( -0.797 -0.000 -0.000) 0.797 32.857 ( -0.213 0.000 0.000) 0.213 32.859 ( -0.498 -0.000 -0.000) 0.498 35.548 ( 0.686 0.000 -0.000) 0.686 35.570 ( -1.616 0.000 -0.000) 1.616 36.062 ( 2.444 -0.000 -0.000) 2.444 36.118 ( -3.190 0.000 -0.000) 3.190 ======================= Grid point 72 (53/69) ======================= q-point: (-0.21 0.34 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -5.980 -12.682 13.934) 19.768 2.366 ( -13.238 -17.755 32.375) 39.225 2.644 ( 3.280 -5.233 23.740) 24.530 2.693 ( 5.282 14.923 23.818) 28.599 3.475 ( -3.466 10.286 23.149) 25.568 3.601 ( 6.478 14.587 2.476) 16.151 3.761 ( 2.052 -0.556 11.254) 11.453 3.892 ( -5.907 3.939 11.981) 13.927 3.926 ( -1.759 -4.231 6.169) 7.685 4.229 ( 3.738 14.467 -1.210) 14.991 4.315 ( -7.276 -19.580 1.125) 20.918 4.809 ( -0.215 -2.217 -5.514) 5.947 5.406 ( 9.539 4.628 -4.114) 11.373 5.551 ( 1.542 15.231 -14.043) 20.774 5.839 ( -7.152 4.220 -12.003) 14.596 5.961 ( 4.108 -13.167 -7.747) 15.820 6.145 ( 1.383 8.702 -0.029) 8.811 6.307 ( 0.131 1.848 -1.358) 2.297 6.365 ( 3.893 0.164 -6.389) 7.484 6.468 ( -6.275 -2.572 -3.291) 7.538 6.651 ( -2.105 3.352 -9.715) 10.491 6.786 ( -2.004 -7.316 10.223) 12.730 6.846 ( -2.427 -7.752 4.374) 9.226 7.013 ( -2.621 -0.462 3.976) 4.785 7.086 ( -2.595 -17.736 -1.929) 18.029 7.308 ( 2.599 -1.184 18.445) 18.665 7.339 ( 0.046 1.130 2.467) 2.714 7.363 ( 2.009 -2.649 0.861) 3.435 7.496 ( 4.656 -3.954 4.786) 7.761 7.729 ( -5.761 7.687 0.423) 9.615 7.773 ( 4.650 3.650 9.024) 10.788 8.002 ( 0.723 -0.565 7.080) 7.139 8.081 ( 0.689 -1.685 7.483) 7.701 8.310 ( 8.727 7.990 2.799) 12.159 8.571 ( 2.152 -5.657 15.931) 17.042 8.743 ( -1.052 12.591 -5.133) 13.637 8.764 ( -0.411 -6.853 2.933) 7.466 9.330 ( -4.499 -1.695 3.914) 6.199 9.597 ( 3.492 0.718 -3.209) 4.796 9.655 ( 1.269 -1.646 0.327) 2.103 9.726 ( -0.112 7.284 3.648) 8.148 9.971 ( -6.894 -8.124 1.554) 10.768 10.128 ( 0.713 7.042 -2.091) 7.381 10.232 ( 0.919 -8.784 -1.609) 8.977 11.189 ( 0.106 -2.752 0.260) 2.766 11.306 ( 3.852 -0.401 -0.939) 3.985 11.696 ( 4.347 16.435 0.691) 17.015 11.854 ( -4.453 -3.308 1.419) 5.726 11.882 ( -7.783 7.381 0.269) 10.730 12.170 ( -3.209 0.736 -3.347) 4.694 12.292 ( -5.110 -0.775 -6.196) 8.069 12.423 ( 2.977 1.598 -8.614) 9.253 12.573 ( -3.745 0.747 -3.139) 4.943 12.857 ( 2.899 -1.643 -4.290) 5.432 13.207 ( 3.944 1.248 2.128) 4.652 13.302 ( -0.869 -4.687 -6.238) 7.851 13.457 ( -0.159 -4.768 1.945) 5.152 13.597 ( 2.055 3.740 -7.381) 8.526 13.656 ( 2.909 2.328 -2.529) 4.503 13.785 ( 2.865 -2.962 -5.345) 6.749 14.703 ( -0.240 -1.319 -0.352) 1.386 14.722 ( -1.218 -1.770 -0.808) 2.296 15.024 ( -8.040 -2.076 -6.027) 10.261 15.435 ( 3.528 2.358 -2.859) 5.117 15.533 ( -0.812 2.763 -1.751) 3.370 15.971 ( 2.095 0.534 0.597) 2.243 16.001 ( 1.934 -1.005 2.577) 3.375 16.132 ( -2.907 3.568 6.528) 7.987 16.296 ( 3.652 -4.064 4.668) 7.187 16.421 ( -1.024 -4.834 9.452) 10.665 16.640 ( -5.075 -0.326 -0.114) 5.086 16.732 ( -2.110 8.414 2.782) 9.109 17.238 ( 4.521 -6.423 0.901) 7.906 17.332 ( 5.630 1.037 1.313) 5.873 17.598 ( -6.460 -1.148 -1.989) 6.856 17.823 ( -9.836 -2.929 7.084) 12.470 18.132 ( 11.147 1.292 -5.999) 12.724 18.402 ( 5.967 2.444 2.094) 6.780 19.003 ( -1.743 3.977 2.272) 4.901 19.094 ( -4.565 0.008 -0.282) 4.573 19.309 ( -9.726 0.190 4.570) 10.748 19.493 ( 0.348 1.130 1.231) 1.707 19.880 ( 7.073 -2.946 -2.619) 8.098 20.282 ( 11.190 -3.180 -2.081) 11.818 23.232 ( -8.730 -1.889 -0.564) 8.950 23.470 ( -7.004 -2.335 6.317) 9.717 23.796 ( 11.003 5.442 -6.705) 13.987 24.180 ( 8.176 5.665 4.945) 11.109 24.924 ( -6.882 -2.062 -4.547) 8.502 25.279 ( -6.023 -2.057 5.886) 8.669 25.348 ( 4.405 -1.006 -2.926) 5.383 25.437 ( 0.068 -1.339 1.555) 2.053 26.045 ( -12.533 0.571 -2.228) 12.742 26.140 ( 2.855 1.779 -0.136) 3.366 26.307 ( 8.059 -1.916 0.329) 8.290 26.755 ( -10.506 -6.580 -8.920) 15.272 29.753 ( 0.393 9.442 -0.594) 9.469 30.427 ( 1.018 -26.534 0.556) 26.560 32.087 ( -0.472 39.496 -0.431) 39.501 32.734 ( -1.361 -2.776 -21.025) 21.251 32.746 ( 0.747 -0.034 -18.359) 18.375 32.907 ( 0.181 5.181 -28.297) 28.768 33.083 ( -0.001 -3.094 -30.910) 31.065 33.669 ( 4.972 -16.894 -6.079) 18.630 34.163 ( 1.631 1.553 34.419) 34.493 34.238 ( -0.560 -5.220 34.811) 35.205 34.474 ( -1.061 6.027 38.343) 38.828 34.708 ( 1.981 3.933 38.481) 38.732 ======================= Grid point 73 (54/69) ======================= q-point: (-0.21 0.59 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 15.591 0.000 15.828) 22.217 2.803 ( 16.192 0.000 -16.589) 23.182 3.337 ( -2.513 -0.000 6.308) 6.790 3.415 ( 0.871 0.000 9.445) 9.485 3.551 ( -14.558 -0.000 -16.219) 21.795 3.632 ( -8.165 -0.000 3.375) 8.835 3.945 ( -3.797 -0.000 8.947) 9.719 4.215 ( -2.389 -0.000 8.203) 8.543 4.351 ( 3.097 0.000 0.122) 3.100 4.544 ( 7.996 0.000 7.738) 11.127 4.828 ( -0.891 -0.000 14.510) 14.537 5.013 ( -6.782 -0.000 6.376) 9.308 5.077 ( -5.854 -0.000 -2.840) 6.507 5.220 ( 5.651 0.000 -3.989) 6.917 5.374 ( -6.282 -0.000 2.533) 6.774 5.788 ( -0.596 0.000 -15.056) 15.068 5.888 ( 8.725 0.000 -3.953) 9.579 6.146 ( 10.428 0.000 -0.718) 10.452 6.278 ( -1.685 -0.000 -0.820) 1.874 6.299 ( 4.178 0.000 -5.931) 7.255 6.614 ( 4.368 0.000 3.732) 5.745 6.900 ( -6.495 -0.000 2.163) 6.846 6.975 ( -10.064 -0.000 -4.806) 11.153 7.079 ( -11.573 -0.000 -1.245) 11.640 7.346 ( -0.320 -0.000 4.164) 4.176 7.383 ( -1.214 -0.000 3.859) 4.046 7.631 ( 0.518 0.000 -1.439) 1.530 7.637 ( 5.552 0.000 7.539) 9.362 7.744 ( -6.941 -0.000 13.439) 15.126 8.009 ( 2.180 0.000 -4.418) 4.926 8.350 ( 1.337 0.000 10.220) 10.307 8.365 ( 15.200 0.000 15.608) 21.786 8.549 ( -1.047 -0.000 4.010) 4.145 8.676 ( 4.547 0.000 19.151) 19.684 8.714 ( 1.578 0.000 13.926) 14.015 8.908 ( -4.534 -0.000 5.901) 7.442 9.159 ( -1.770 -0.000 -0.499) 1.839 9.403 ( 2.905 0.000 -2.724) 3.983 9.498 ( -7.835 -0.000 3.784) 8.701 9.744 ( -0.930 -0.000 0.076) 0.933 9.808 ( 5.959 0.000 3.618) 6.971 9.963 ( -1.242 -0.000 2.430) 2.730 10.115 ( -2.911 -0.000 -6.740) 7.342 10.265 ( -6.692 -0.000 6.036) 9.012 11.197 ( 3.421 0.000 -1.688) 3.814 11.278 ( 3.654 0.000 -0.662) 3.714 11.633 ( 0.986 0.000 0.571) 1.140 11.655 ( 0.942 0.000 -9.743) 9.788 11.740 ( 0.024 0.000 -6.816) 6.816 11.749 ( -2.968 -0.000 -8.126) 8.651 11.999 ( -4.308 -0.000 -9.685) 10.600 12.218 ( 2.313 0.000 5.528) 5.993 12.486 ( -2.502 -0.000 -1.394) 2.864 12.674 ( 3.687 0.000 -4.097) 5.511 13.047 ( 1.363 0.000 -8.250) 8.362 13.129 ( 1.838 0.000 -2.999) 3.517 13.270 ( 6.963 0.000 -2.391) 7.362 13.485 ( -4.324 -0.000 -2.575) 5.033 13.574 ( -5.426 -0.000 0.977) 5.513 13.631 ( -0.857 -0.000 -1.573) 1.791 14.682 ( -1.015 -0.000 -2.082) 2.316 14.734 ( 1.074 0.000 0.192) 1.092 15.157 ( -2.264 -0.000 12.231) 12.439 15.383 ( 7.875 0.000 -1.547) 8.026 15.663 ( -4.158 -0.000 4.781) 6.336 15.924 ( 1.009 0.000 -6.854) 6.928 15.929 ( -1.725 -0.000 1.210) 2.107 16.362 ( -2.592 -0.000 3.397) 4.274 16.457 ( 6.333 0.000 1.914) 6.616 16.659 ( -5.691 -0.000 -0.159) 5.694 16.668 ( -2.331 -0.000 2.218) 3.218 16.780 ( -4.038 -0.000 0.973) 4.154 17.285 ( 7.461 0.000 -0.218) 7.464 17.451 ( 0.121 -0.000 1.745) 1.749 17.673 ( 6.649 0.000 5.493) 8.624 17.850 ( 12.149 0.000 -7.153) 14.099 18.184 ( -12.862 -0.000 8.183) 15.244 18.316 ( -8.942 -0.000 -4.778) 10.138 19.056 ( -2.012 -0.000 -0.734) 2.142 19.155 ( 5.203 0.000 4.799) 7.078 19.439 ( -3.221 -0.000 0.528) 3.264 19.518 ( 3.759 0.000 0.520) 3.795 19.883 ( 0.100 -0.000 1.993) 1.996 20.173 ( 3.211 0.000 -5.731) 6.569 23.346 ( -0.345 -0.000 5.241) 5.253 23.439 ( 8.914 0.000 -7.049) 11.364 23.888 ( -11.731 -0.000 11.682) 16.556 24.073 ( -12.350 -0.000 -7.275) 14.333 24.964 ( 12.595 0.000 4.761) 13.464 25.177 ( 10.378 0.000 -6.252) 12.115 25.471 ( -3.537 -0.000 -0.807) 3.628 25.478 ( -3.637 -0.000 1.696) 4.013 25.948 ( -7.279 -0.000 -2.982) 7.866 26.146 ( 0.638 0.000 1.544) 1.670 26.280 ( 2.419 0.000 -1.107) 2.660 26.395 ( -0.765 -0.000 -7.253) 7.294 29.693 ( -0.437 -0.000 1.328) 1.398 30.810 ( 0.852 0.000 -1.113) 1.402 31.561 ( -0.118 -0.000 0.097) 0.152 32.087 ( -0.045 0.000 -9.003) 9.003 32.166 ( 0.847 0.000 -9.668) 9.705 32.173 ( -1.792 -0.000 -8.549) 8.735 32.264 ( 0.858 0.000 -9.368) 9.407 33.656 ( 1.145 0.000 -3.110) 3.314 35.363 ( 2.002 0.000 19.395) 19.498 35.432 ( -0.545 -0.000 16.209) 16.218 35.742 ( -0.104 -0.000 22.482) 22.483 35.921 ( -2.145 -0.000 23.120) 23.219 ======================= Grid point 81 (55/69) ======================= q-point: (-0.24 0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 21.541 0.000 8.170) 23.038 2.339 ( 18.631 0.000 38.510) 42.780 2.853 ( -10.573 -0.000 32.590) 34.262 3.122 ( 2.027 0.000 -4.185) 4.650 3.242 ( -11.940 -0.000 17.006) 20.779 3.424 ( 20.514 0.000 6.459) 21.507 3.461 ( -9.815 -0.000 23.478) 25.447 3.931 ( -9.137 -0.000 12.674) 15.624 4.123 ( -9.114 -0.000 1.319) 9.209 4.139 ( -7.465 -0.000 2.651) 7.922 4.855 ( -6.724 -0.000 -8.680) 10.980 4.893 ( 6.222 0.000 -1.123) 6.323 5.186 ( 8.742 0.000 7.897) 11.781 5.200 ( -6.132 -0.000 -10.964) 12.562 5.890 ( 0.198 0.000 -9.933) 9.935 5.938 ( 4.205 0.000 -4.613) 6.242 6.089 ( -4.409 -0.000 -10.879) 11.738 6.168 ( 3.346 0.000 0.002) 3.346 6.465 ( -0.164 0.000 -11.986) 11.987 6.619 ( 3.549 0.000 -13.524) 13.982 6.620 ( -0.992 -0.000 -4.821) 4.922 6.850 ( 1.039 -0.000 17.308) 17.340 6.935 ( -0.561 -0.000 2.150) 2.222 7.032 ( -0.982 -0.000 8.501) 8.558 7.191 ( 5.225 0.000 6.465) 8.313 7.289 ( 1.853 0.000 10.738) 10.897 7.376 ( -9.458 -0.000 5.167) 10.778 7.471 ( -6.812 -0.000 2.849) 7.384 7.518 ( 11.299 0.000 4.937) 12.330 7.584 ( 3.903 0.000 2.928) 4.879 7.735 ( -7.369 -0.000 -4.819) 8.805 7.927 ( 3.430 0.000 12.768) 13.220 8.001 ( 2.707 0.000 10.673) 11.011 8.313 ( -1.159 -0.000 1.412) 1.827 8.551 ( 0.411 0.000 -3.825) 3.847 8.637 ( -1.467 -0.000 14.507) 14.581 8.847 ( 0.482 0.000 1.565) 1.638 9.390 ( -2.475 -0.000 3.260) 4.094 9.468 ( 5.240 0.000 -0.952) 5.326 9.613 ( 3.969 0.000 3.522) 5.306 9.669 ( 0.534 0.000 -0.522) 0.747 10.068 ( 1.792 0.000 -3.141) 3.616 10.244 ( -12.127 -0.000 3.029) 12.500 10.281 ( 2.234 0.000 -2.030) 3.018 11.218 ( 1.245 0.000 -3.419) 3.639 11.268 ( 2.991 0.000 -1.669) 3.425 11.427 ( 2.386 0.000 5.720) 6.197 11.978 ( -7.199 -0.000 -2.381) 7.583 12.040 ( -12.249 -0.000 1.478) 12.337 12.247 ( -5.134 -0.000 -6.901) 8.601 12.344 ( 3.683 0.000 -9.846) 10.512 12.415 ( -5.992 -0.000 -3.959) 7.182 12.645 ( -3.984 -0.000 -2.320) 4.610 12.804 ( 4.615 0.000 -6.506) 7.976 13.084 ( 5.560 0.000 1.603) 5.786 13.338 ( 4.898 0.000 -0.595) 4.934 13.509 ( 1.685 0.000 -7.365) 7.556 13.523 ( -3.406 -0.000 0.754) 3.489 13.551 ( 5.441 0.000 -1.544) 5.656 13.808 ( -2.567 -0.000 -5.243) 5.838 14.708 ( 0.655 0.000 -0.510) 0.830 14.767 ( -1.136 -0.000 -1.548) 1.920 15.225 ( -9.454 -0.000 -7.822) 12.270 15.296 ( 9.011 0.000 -7.461) 11.699 15.530 ( -3.465 -0.000 2.844) 4.482 15.914 ( 1.507 0.000 8.034) 8.174 15.958 ( 4.972 0.000 0.580) 5.006 16.145 ( -2.244 -0.000 4.793) 5.292 16.278 ( 2.100 0.000 1.476) 2.567 16.449 ( 1.680 0.000 9.326) 9.476 16.685 ( -2.637 -0.000 1.425) 2.997 16.833 ( -11.483 -0.000 -0.341) 11.488 17.101 ( 12.412 0.000 -0.234) 12.415 17.263 ( 2.176 0.000 5.619) 6.025 17.790 ( -10.880 -0.000 -6.355) 12.600 17.882 ( 11.907 0.000 -6.607) 13.618 18.102 ( -14.515 -0.000 8.984) 17.071 18.183 ( 12.337 0.000 8.193) 14.809 19.053 ( -5.810 -0.000 -1.621) 6.032 19.186 ( -5.530 -0.000 0.440) 5.548 19.413 ( 4.729 0.000 -0.649) 4.773 19.512 ( -6.215 -0.000 -1.288) 6.347 19.751 ( 6.203 0.000 3.009) 6.895 20.055 ( 14.836 0.000 2.040) 14.975 23.474 ( -13.038 -0.000 -4.926) 13.938 23.494 ( 11.275 0.000 -6.855) 13.195 23.760 ( -17.219 -0.000 9.321) 19.579 23.902 ( 13.088 0.000 9.367) 16.095 25.118 ( -8.999 -0.000 -8.071) 12.088 25.226 ( 8.146 0.000 -5.671) 9.926 25.383 ( -2.048 -0.000 4.726) 5.151 25.410 ( 3.693 0.000 3.643) 5.187 26.053 ( 3.878 0.000 0.171) 3.882 26.166 ( 3.036 0.000 -0.136) 3.039 26.291 ( -10.168 -0.000 -0.801) 10.199 27.044 ( -8.430 -0.000 -19.546) 21.287 29.665 ( -0.493 -0.000 0.976) 1.093 30.783 ( 2.538 0.000 0.332) 2.560 31.567 ( -0.459 -0.000 -0.038) 0.460 32.719 ( 1.682 0.000 -18.906) 18.981 32.819 ( 0.944 0.000 -27.058) 27.075 32.826 ( -3.033 -0.000 -19.429) 19.664 33.113 ( 0.011 0.000 -31.745) 31.745 33.735 ( 5.467 0.000 -2.335) 5.945 34.115 ( 1.748 -0.000 33.052) 33.098 34.326 ( 0.107 -0.000 34.287) 34.287 34.442 ( -5.619 -0.000 42.065) 42.439 34.678 ( -0.936 -0.000 38.478) 38.490 ======================= Grid point 83 (56/69) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -0.000 0.000 -39.228) 39.228 2.729 ( -0.000 0.000 -21.601) 21.601 3.186 ( -0.000 0.000 -3.264) 3.264 3.278 ( 0.000 -0.000 21.693) 21.693 3.524 ( 0.000 -0.000 10.686) 10.686 4.025 ( 0.000 -0.000 1.475) 1.475 4.028 ( 0.000 -0.000 27.365) 27.365 4.224 ( 0.000 -0.000 2.146) 2.146 4.335 ( -0.000 0.000 -5.555) 5.555 4.707 ( 0.000 -0.000 2.953) 2.953 5.024 ( -0.000 0.000 -7.413) 7.413 5.029 ( 0.000 -0.000 3.845) 3.845 5.059 ( 0.000 -0.000 9.062) 9.062 5.106 ( -0.000 0.000 -9.939) 9.939 5.446 ( -0.000 0.000 -6.033) 6.033 5.615 ( 0.000 -0.000 17.585) 17.585 5.903 ( -0.000 0.000 -7.248) 7.248 6.103 ( -0.000 0.000 -7.978) 7.978 6.184 ( -0.000 0.000 -4.968) 4.968 6.354 ( 0.000 -0.000 0.861) 0.861 6.717 ( -0.000 0.000 -2.672) 2.672 6.752 ( -0.000 0.000 -1.688) 1.688 6.865 ( -0.000 0.000 -3.391) 3.391 6.979 ( 0.000 -0.000 6.807) 6.807 7.325 ( -0.000 0.000 -4.998) 4.998 7.415 ( -0.000 0.000 -0.004) 0.004 7.589 ( -0.000 0.000 -1.240) 1.240 7.837 ( -0.000 0.000 -12.149) 12.149 7.886 ( 0.000 -0.000 9.171) 9.171 7.987 ( 0.000 -0.000 13.948) 13.948 8.426 ( -0.000 0.000 -5.719) 5.719 8.527 ( -0.000 0.000 -1.906) 1.906 8.830 ( 0.000 -0.000 8.156) 8.156 8.858 ( -0.000 0.000 -6.774) 6.774 8.894 ( 0.000 -0.000 5.443) 5.443 8.998 ( -0.000 0.000 -12.305) 12.305 9.025 ( 0.000 -0.000 7.285) 7.285 9.389 ( -0.000 0.000 -1.366) 1.366 9.425 ( 0.000 -0.000 0.144) 0.144 9.743 ( 0.000 -0.000 1.316) 1.316 9.833 ( -0.000 0.000 -5.196) 5.196 9.915 ( -0.000 0.000 -8.578) 8.578 10.117 ( 0.000 -0.000 10.253) 10.253 10.304 ( 0.000 -0.000 5.209) 5.209 11.176 ( -0.000 0.000 -3.319) 3.319 11.303 ( -0.000 0.000 -0.834) 0.834 11.549 ( -0.000 0.000 -3.909) 3.909 11.642 ( 0.000 -0.000 4.089) 4.089 11.712 ( 0.000 -0.000 1.554) 1.554 11.755 ( 0.000 -0.000 11.173) 11.173 11.806 ( -0.000 0.000 -3.020) 3.020 12.430 ( 0.000 -0.000 9.233) 9.233 12.442 ( 0.000 -0.000 0.437) 0.437 12.635 ( -0.000 0.000 -3.607) 3.607 12.945 ( -0.000 0.000 -2.110) 2.110 13.187 ( 0.000 -0.000 4.511) 4.511 13.275 ( -0.000 0.000 -8.332) 8.332 13.477 ( 0.000 -0.000 4.702) 4.702 13.513 ( 0.000 -0.000 3.359) 3.359 13.515 ( -0.000 0.000 -5.197) 5.197 14.627 ( -0.000 0.000 -2.114) 2.114 14.741 ( -0.000 0.000 -0.566) 0.566 15.278 ( -0.000 0.000 -14.641) 14.641 15.420 ( 0.000 -0.000 13.385) 13.385 15.746 ( -0.000 0.000 -10.843) 10.843 15.751 ( 0.000 -0.000 7.520) 7.520 16.004 ( 0.000 -0.000 5.291) 5.291 16.341 ( -0.000 0.000 -1.290) 1.290 16.536 ( -0.000 0.000 -4.829) 4.829 16.599 ( -0.000 0.000 -0.559) 0.559 16.652 ( 0.000 -0.000 2.961) 2.961 16.741 ( 0.000 -0.000 0.393) 0.393 17.358 ( 0.000 -0.000 0.233) 0.233 17.462 ( -0.000 0.000 -0.384) 0.384 17.909 ( -0.000 0.000 -9.061) 9.061 17.959 ( 0.000 -0.000 7.748) 7.748 17.998 ( -0.000 0.000 -6.256) 6.256 18.164 ( 0.000 -0.000 8.340) 8.340 18.995 ( -0.000 0.000 -1.199) 1.199 19.324 ( 0.000 -0.000 1.189) 1.189 19.410 ( 0.000 -0.000 2.177) 2.177 19.561 ( -0.000 0.000 -0.460) 0.460 19.925 ( 0.000 -0.000 2.531) 2.531 20.033 ( -0.000 0.000 -9.920) 9.920 23.379 ( -0.000 0.000 -9.140) 9.140 23.527 ( 0.000 -0.000 10.170) 10.170 23.753 ( -0.000 0.000 -7.249) 7.249 23.994 ( 0.000 -0.000 12.132) 12.132 25.196 ( 0.000 -0.000 1.282) 1.282 25.204 ( -0.000 0.000 -6.426) 6.426 25.343 ( -0.000 0.000 -3.758) 3.758 25.445 ( 0.000 -0.000 1.027) 1.027 25.823 ( -0.000 0.000 -2.539) 2.539 26.168 ( 0.000 -0.000 1.233) 1.233 26.304 ( 0.000 -0.000 2.776) 2.776 26.306 ( -0.000 0.000 -3.728) 3.728 29.717 ( 0.000 -0.000 1.338) 1.338 30.784 ( -0.000 0.000 -1.991) 1.991 31.565 ( 0.000 -0.000 0.379) 0.379 31.999 ( -0.000 0.000 -0.008) 0.008 32.049 ( -0.000 0.000 -2.556) 2.556 32.081 ( 0.000 -0.000 0.872) 0.872 32.231 ( 0.000 -0.000 4.400) 4.400 33.618 ( -0.000 0.000 -1.587) 1.587 35.537 ( -0.000 0.000 -3.697) 3.697 35.599 ( 0.000 -0.000 1.062) 1.062 36.016 ( 0.000 -0.000 3.502) 3.502 36.258 ( 0.000 -0.000 13.103) 13.103 ======================= Grid point 85 (57/69) ======================= q-point: (-0.25 0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.000 -29.319 -0.000) 29.319 1.287 ( 0.000 -35.366 -0.000) 35.366 2.350 ( -0.000 10.560 0.000) 10.560 2.779 ( 0.000 -64.127 -0.000) 64.127 3.220 ( -0.000 33.042 0.000) 33.042 3.272 ( 0.000 -2.228 -0.000) 2.228 3.433 ( 0.000 -1.142 -0.000) 1.142 4.135 ( -0.000 17.887 0.000) 17.887 4.156 ( -0.000 4.731 0.000) 4.731 4.391 ( -0.000 32.107 0.000) 32.107 4.568 ( -0.000 10.671 0.000) 10.671 4.893 ( 0.000 -0.509 -0.000) 0.509 5.570 ( -0.000 4.980 0.000) 4.980 5.627 ( 0.000 -30.404 -0.000) 30.404 5.868 ( 0.000 -15.486 -0.000) 15.486 5.970 ( 0.000 -0.145 -0.000) 0.145 6.194 ( -0.000 14.665 0.000) 14.665 6.351 ( 0.000 -3.362 -0.000) 3.362 6.426 ( 0.000 -5.405 -0.000) 5.405 6.443 ( 0.000 -9.348 -0.000) 9.348 6.662 ( 0.000 -20.419 -0.000) 20.419 6.683 ( -0.000 29.557 0.000) 29.557 6.875 ( 0.000 -7.551 -0.000) 7.551 6.899 ( -0.000 9.225 0.000) 9.225 6.994 ( -0.000 2.221 0.000) 2.221 7.020 ( -0.000 7.818 0.000) 7.818 7.136 ( 0.000 -5.125 -0.000) 5.125 7.364 ( 0.000 -0.856 -0.000) 0.856 7.595 ( -0.000 5.427 0.000) 5.427 7.606 ( 0.000 -9.229 -0.000) 9.229 7.818 ( 0.000 -7.871 -0.000) 7.871 7.841 ( 0.000 -5.158 -0.000) 5.158 8.080 ( -0.000 12.695 0.000) 12.695 8.266 ( -0.000 2.582 0.000) 2.582 8.538 ( 0.000 -10.557 -0.000) 10.557 8.901 ( -0.000 17.822 0.000) 17.822 8.927 ( -0.000 12.831 0.000) 12.831 9.143 ( 0.000 -7.228 -0.000) 7.228 9.406 ( 0.000 -20.073 -0.000) 20.073 9.669 ( 0.000 -12.718 -0.000) 12.718 9.729 ( 0.000 -3.274 -0.000) 3.274 9.869 ( -0.000 13.649 0.000) 13.649 10.012 ( 0.000 -9.312 -0.000) 9.312 10.483 ( -0.000 19.812 0.000) 19.812 11.126 ( 0.000 -2.158 -0.000) 2.158 11.388 ( -0.000 1.258 0.000) 1.258 11.689 ( 0.000 -8.632 -0.000) 8.632 12.012 ( -0.000 14.286 0.000) 14.286 12.144 ( -0.000 0.278 0.000) 0.278 12.146 ( -0.000 21.893 0.000) 21.893 12.290 ( 0.000 -2.183 -0.000) 2.183 12.574 ( -0.000 1.859 0.000) 1.859 12.604 ( -0.000 2.631 0.000) 2.631 12.890 ( 0.000 -1.709 -0.000) 1.709 13.215 ( 0.000 -2.641 -0.000) 2.641 13.281 ( 0.000 -1.353 -0.000) 1.353 13.322 ( 0.000 -7.911 -0.000) 7.911 13.754 ( -0.000 1.961 0.000) 1.961 13.779 ( 0.000 -5.749 -0.000) 5.749 13.800 ( -0.000 6.356 0.000) 6.356 14.662 ( 0.000 -2.577 -0.000) 2.577 14.693 ( 0.000 -1.162 -0.000) 1.162 14.961 ( 0.000 -2.587 -0.000) 2.587 15.550 ( -0.000 7.205 0.000) 7.205 15.649 ( 0.000 -1.654 -0.000) 1.654 15.938 ( 0.000 -2.997 -0.000) 2.997 16.055 ( -0.000 3.124 0.000) 3.124 16.066 ( 0.000 -12.267 -0.000) 12.267 16.099 ( -0.000 5.692 0.000) 5.692 16.213 ( 0.000 -4.038 -0.000) 4.038 16.539 ( 0.000 -2.459 -0.000) 2.459 16.906 ( -0.000 11.777 0.000) 11.777 17.075 ( 0.000 -12.739 -0.000) 12.739 17.452 ( -0.000 3.320 0.000) 3.320 17.517 ( -0.000 1.136 0.000) 1.136 17.606 ( 0.000 -4.118 -0.000) 4.118 18.306 ( -0.000 0.082 0.000) 0.082 18.581 ( -0.000 4.053 0.000) 4.053 19.015 ( 0.000 -3.160 -0.000) 3.160 19.018 ( -0.000 5.247 0.000) 5.247 19.155 ( -0.000 4.004 0.000) 4.004 19.480 ( 0.000 -0.911 -0.000) 0.911 19.932 ( 0.000 -3.654 -0.000) 3.654 20.451 ( -0.000 0.131 0.000) 0.131 23.080 ( 0.000 -1.956 -0.000) 1.956 23.305 ( 0.000 -1.584 -0.000) 1.584 24.130 ( -0.000 6.406 0.000) 6.406 24.452 ( -0.000 10.979 0.000) 10.979 24.758 ( 0.000 -3.996 -0.000) 3.996 25.097 ( 0.000 -2.014 -0.000) 2.014 25.364 ( 0.000 -4.144 -0.000) 4.144 25.385 ( 0.000 -1.796 -0.000) 1.796 25.839 ( 0.000 -4.249 -0.000) 4.249 26.215 ( -0.000 2.150 0.000) 2.150 26.278 ( 0.000 -12.387 -0.000) 12.387 26.598 ( 0.000 -2.275 -0.000) 2.275 29.987 ( 0.000 -18.381 -0.000) 18.381 30.066 ( -0.000 19.362 0.000) 19.362 32.823 ( -0.000 35.688 0.000) 35.688 32.966 ( 0.000 -2.743 -0.000) 2.743 32.973 ( 0.000 -7.317 -0.000) 7.317 33.310 ( 0.000 -11.834 -0.000) 11.834 33.523 ( -0.000 7.476 0.000) 7.476 33.709 ( 0.000 -2.527 -0.000) 2.527 33.741 ( -0.000 2.996 0.000) 2.996 33.878 ( 0.000 -2.889 -0.000) 2.889 33.983 ( -0.000 2.931 0.000) 2.931 34.040 ( 0.000 -3.122 -0.000) 3.122 ======================= Grid point 86 (58/69) ======================= q-point: (-0.25 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 0.000 -19.817 14.929) 24.811 2.932 ( 0.000 -21.486 21.141) 30.143 2.978 ( -0.000 11.816 15.051) 19.135 3.292 ( -0.000 12.793 20.632) 24.276 3.549 ( -0.000 -0.332 -14.109) 14.113 3.659 ( -0.000 3.329 2.545) 4.190 4.047 ( -0.000 17.691 17.780) 25.082 4.228 ( 0.000 6.565 19.556) 20.629 4.299 ( 0.000 -10.805 4.276) 11.621 4.342 ( -0.000 4.047 6.524) 7.677 4.375 ( 0.000 0.987 29.896) 29.913 4.689 ( 0.000 -0.951 -0.634) 1.143 5.205 ( -0.000 10.595 -11.030) 15.294 5.229 ( -0.000 4.782 -19.179) 19.766 5.581 ( -0.000 1.017 -7.939) 8.004 5.963 ( 0.000 -16.026 -12.896) 20.570 6.109 ( 0.000 -9.319 1.478) 9.436 6.272 ( -0.000 12.374 -2.672) 12.660 6.335 ( -0.000 1.396 -1.627) 2.144 6.421 ( -0.000 2.284 -9.231) 9.510 6.476 ( 0.000 -1.554 2.954) 3.338 6.836 ( 0.000 -3.541 -2.460) 4.312 6.840 ( 0.000 -9.104 1.190) 9.182 7.016 ( 0.000 -0.798 3.347) 3.441 7.071 ( 0.000 -9.479 9.270) 13.258 7.266 ( -0.000 1.869 0.980) 2.110 7.440 ( 0.000 -9.471 1.752) 9.632 7.580 ( 0.000 -9.458 2.369) 9.750 7.702 ( -0.000 18.322 6.155) 19.328 7.957 ( 0.000 -1.236 29.842) 29.868 8.191 ( 0.000 1.545 11.491) 11.594 8.224 ( -0.000 5.805 1.809) 6.080 8.249 ( 0.000 -3.418 23.603) 23.849 8.456 ( -0.000 7.792 6.571) 10.192 8.659 ( -0.000 4.130 2.419) 4.786 8.717 ( 0.000 -5.371 1.252) 5.515 8.996 ( 0.000 -1.875 11.102) 11.259 9.315 ( 0.000 -1.504 3.778) 4.067 9.574 ( -0.000 -0.274 -3.610) 3.621 9.673 ( 0.000 -1.159 0.859) 1.442 9.805 ( -0.000 7.267 5.188) 8.929 9.921 ( 0.000 -8.337 -1.067) 8.405 10.104 ( -0.000 3.870 0.030) 3.870 10.192 ( 0.000 -4.343 -3.544) 5.606 11.202 ( 0.000 -0.653 -0.237) 0.694 11.342 ( 0.000 -0.626 0.790) 1.008 11.749 ( -0.000 13.626 1.064) 13.668 11.801 ( -0.000 -1.806 -3.584) 4.013 11.825 ( -0.000 5.602 -1.025) 5.695 12.014 ( -0.000 0.541 -13.353) 13.364 12.087 ( -0.000 -0.879 -5.520) 5.590 12.276 ( -0.000 4.105 -6.364) 7.574 12.462 ( -0.000 -2.282 -4.253) 4.826 12.799 ( -0.000 -0.899 -4.941) 5.022 13.151 ( -0.000 -4.277 -7.757) 8.858 13.317 ( 0.000 -1.272 3.817) 4.024 13.402 ( -0.000 7.341 -11.283) 13.461 13.403 ( 0.000 -5.598 -3.428) 6.564 13.604 ( -0.000 1.931 -5.562) 5.888 13.720 ( -0.000 -2.721 -5.811) 6.416 14.688 ( 0.000 -1.441 -0.635) 1.575 14.705 ( 0.000 -1.606 1.625) 2.285 14.926 ( 0.000 -2.197 3.861) 4.442 15.478 ( 0.000 -1.337 1.670) 2.140 15.531 ( -0.000 3.471 2.844) 4.488 15.959 ( -0.000 4.974 -1.449) 5.181 16.001 ( 0.000 -2.842 -1.936) 3.439 16.277 ( 0.000 3.049 7.537) 8.130 16.465 ( 0.000 -1.678 3.837) 4.188 16.501 ( 0.000 -6.626 2.968) 7.261 16.628 ( 0.000 0.221 2.609) 2.618 16.776 ( -0.000 9.970 3.297) 10.501 17.322 ( 0.000 -9.208 1.773) 9.378 17.361 ( -0.000 0.024 -0.751) 0.752 17.648 ( 0.000 1.752 7.207) 7.417 17.820 ( 0.000 -3.971 6.323) 7.466 18.202 ( -0.000 0.045 -4.241) 4.241 18.286 ( -0.000 3.416 -7.659) 8.386 19.034 ( 0.000 -0.602 -0.601) 0.850 19.224 ( -0.000 5.338 8.355) 9.914 19.256 ( 0.000 1.112 5.375) 5.489 19.537 ( 0.000 0.521 2.009) 2.076 19.871 ( 0.000 -4.087 -3.473) 5.363 20.300 ( 0.000 -3.981 -5.765) 7.005 23.204 ( 0.000 -2.039 4.645) 5.073 23.537 ( 0.000 -2.126 8.145) 8.418 23.795 ( -0.000 3.581 -9.250) 9.919 24.112 ( -0.000 6.562 -6.537) 9.262 25.015 ( 0.000 -1.973 6.803) 7.083 25.287 ( 0.000 -1.719 5.394) 5.662 25.367 ( 0.000 -2.506 -2.913) 3.843 25.421 ( 0.000 -0.221 0.010) 0.221 25.887 ( 0.000 -1.977 -1.033) 2.231 26.164 ( -0.000 1.503 -0.294) 1.532 26.413 ( 0.000 -4.198 -2.597) 4.937 26.442 ( -0.000 0.440 -7.716) 7.728 29.746 ( -0.000 8.273 0.032) 8.273 30.445 ( 0.000 -26.210 -0.005) 26.210 32.074 ( -0.000 38.051 -0.939) 38.063 32.343 ( -0.000 -1.489 -16.538) 16.605 32.425 ( -0.000 0.247 -15.099) 15.101 32.430 ( -0.000 2.765 -19.347) 19.544 32.566 ( -0.000 -0.863 -20.545) 20.563 33.577 ( 0.000 -19.223 -6.890) 20.420 34.871 ( 0.000 2.006 33.249) 33.309 34.909 ( 0.000 -4.985 31.670) 32.060 35.195 ( 0.000 5.254 34.960) 35.353 35.427 ( 0.000 8.187 31.481) 32.528 ======================= Grid point 91 (59/69) ======================= q-point: (-0.28 0.52 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 103 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 14.107 0.000 11.845) 18.420 2.943 ( -7.870 -0.000 8.136) 11.320 3.163 ( -3.306 -0.000 15.844) 16.185 3.298 ( 23.912 0.000 -3.179) 24.123 3.338 ( -15.210 -0.000 18.723) 24.122 3.724 ( -3.454 -0.000 14.779) 15.177 3.854 ( -0.609 -0.000 22.669) 22.678 3.955 ( -4.112 -0.000 -4.997) 6.471 4.315 ( 4.679 0.000 14.397) 15.138 4.385 ( -2.089 -0.000 21.739) 21.839 4.438 ( -3.383 -0.000 -7.124) 7.886 4.969 ( -3.921 -0.000 -2.785) 4.809 5.033 ( -0.977 -0.000 10.190) 10.237 5.282 ( -4.593 -0.000 -15.110) 15.793 5.560 ( -4.160 -0.000 -9.534) 10.402 5.957 ( 6.128 0.000 -3.326) 6.972 6.018 ( 13.265 0.000 -3.740) 13.782 6.228 ( 3.778 0.000 -13.559) 14.075 6.277 ( 1.840 0.000 2.241) 2.900 6.437 ( 0.141 0.000 -6.758) 6.759 6.488 ( -3.344 -0.000 4.029) 5.235 6.904 ( -4.264 -0.000 -2.149) 4.775 7.073 ( -6.139 -0.000 0.280) 6.146 7.105 ( -7.699 -0.000 -0.702) 7.731 7.218 ( -1.382 -0.000 4.731) 4.929 7.274 ( -5.305 -0.000 5.647) 7.748 7.505 ( -4.382 -0.000 4.780) 6.485 7.514 ( 5.360 0.000 4.987) 7.321 7.694 ( 1.927 0.000 1.584) 2.495 7.884 ( 8.529 0.000 26.553) 27.889 8.020 ( 4.995 0.000 5.520) 7.444 8.178 ( -0.097 -0.000 8.580) 8.581 8.231 ( 4.476 0.000 21.826) 22.280 8.432 ( -0.513 -0.000 12.023) 12.034 8.530 ( 4.403 0.000 -0.892) 4.492 8.810 ( -2.850 -0.000 3.690) 4.662 9.035 ( 0.481 -0.000 12.392) 12.401 9.408 ( -4.864 -0.000 3.805) 6.175 9.481 ( 2.606 0.000 -3.933) 4.718 9.698 ( 0.969 0.000 4.972) 5.066 9.721 ( -0.351 -0.000 2.154) 2.183 10.010 ( 0.705 0.000 -4.353) 4.410 10.150 ( -6.102 -0.000 5.450) 8.181 10.235 ( 0.037 0.000 -5.549) 5.549 11.212 ( 1.763 0.000 -0.603) 1.863 11.294 ( 2.946 0.000 -1.080) 3.138 11.574 ( 2.031 0.000 3.983) 4.471 11.811 ( -3.446 -0.000 -3.429) 4.861 11.879 ( -5.060 -0.000 -2.787) 5.777 11.987 ( -0.311 0.000 -13.670) 13.673 12.172 ( -6.021 -0.000 -7.175) 9.366 12.204 ( 2.488 0.000 -7.056) 7.482 12.526 ( -3.418 -0.000 -2.209) 4.070 12.770 ( 3.857 0.000 -5.582) 6.785 13.221 ( 6.146 0.000 -2.753) 6.735 13.236 ( -0.491 0.000 -6.902) 6.920 13.318 ( 0.850 0.000 -8.677) 8.719 13.530 ( -5.722 -0.000 -0.959) 5.801 13.588 ( -0.074 0.000 -2.304) 2.305 13.694 ( 4.830 0.000 -5.337) 7.198 14.718 ( -0.524 -0.000 -1.364) 1.462 14.721 ( -0.199 -0.000 0.721) 0.748 14.998 ( -5.251 -0.000 2.678) 5.894 15.377 ( 7.618 0.000 -0.165) 7.619 15.560 ( -3.126 -0.000 5.557) 6.375 15.943 ( -2.641 -0.000 -1.622) 3.099 16.012 ( 1.896 0.000 -2.281) 2.966 16.255 ( -1.148 -0.000 7.492) 7.579 16.403 ( 5.647 0.000 3.176) 6.479 16.611 ( -1.474 -0.000 4.415) 4.654 16.660 ( -5.921 -0.000 0.037) 5.921 16.716 ( -2.320 -0.000 5.129) 5.629 17.290 ( 7.337 0.000 -0.291) 7.342 17.399 ( 1.413 0.000 3.525) 3.798 17.601 ( -0.288 -0.000 1.596) 1.622 17.987 ( 12.576 0.000 -6.840) 14.315 18.016 ( -12.594 -0.000 8.706) 15.310 18.384 ( -3.386 -0.000 -1.892) 3.878 19.037 ( 5.414 0.000 4.633) 7.125 19.085 ( -4.547 -0.000 0.051) 4.547 19.401 ( -7.985 -0.000 3.654) 8.781 19.499 ( 3.156 0.000 1.173) 3.367 19.870 ( 3.544 0.000 -0.928) 3.663 20.264 ( 7.143 0.000 -3.486) 7.948 23.271 ( -4.699 -0.000 2.353) 5.255 23.583 ( 11.995 0.000 -7.691) 14.249 23.674 ( -10.938 -0.000 10.094) 14.884 24.164 ( -4.459 -0.000 -1.365) 4.663 24.903 ( 5.438 0.000 0.708) 5.484 25.282 ( 7.915 0.000 -4.534) 9.121 25.412 ( -5.409 -0.000 4.865) 7.275 25.472 ( -1.611 -0.000 0.632) 1.731 26.002 ( -8.734 -0.000 -2.455) 9.073 26.126 ( 1.906 0.000 0.516) 1.975 26.308 ( 6.087 0.000 -1.319) 6.228 26.588 ( -6.177 -0.000 -12.045) 13.536 29.671 ( -0.416 -0.000 0.844) 0.941 30.824 ( 1.375 0.000 -0.292) 1.406 31.560 ( -0.229 -0.000 0.023) 0.230 32.365 ( 0.272 0.000 -19.430) 19.432 32.410 ( 1.018 0.000 -14.982) 15.016 32.414 ( -2.227 -0.000 -15.826) 15.982 32.577 ( 0.285 0.000 -22.323) 22.325 33.738 ( 2.609 0.000 -5.080) 5.711 34.830 ( 1.896 -0.000 33.232) 33.286 34.975 ( 0.055 -0.000 29.581) 29.581 35.148 ( -2.363 -0.000 37.001) 37.077 35.364 ( -1.355 -0.000 32.880) 32.908 ======================= Grid point 94 (60/69) ======================= q-point: (-0.28 0.27 -0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -10.314 -18.131 -0.000) 20.859 2.059 ( -6.211 -0.767 0.000) 6.258 2.316 ( -11.400 -24.553 -0.000) 27.071 2.558 ( 10.879 21.128 0.000) 23.765 3.191 ( -2.236 11.748 0.000) 11.959 3.388 ( 1.780 5.898 0.000) 6.160 3.787 ( -5.421 26.665 0.000) 27.210 3.826 ( -4.653 -27.475 -0.000) 27.866 3.848 ( 7.817 4.228 0.000) 8.887 4.246 ( 1.105 17.639 0.000) 17.673 4.309 ( -7.948 -20.514 -0.000) 22.000 4.881 ( 2.907 -3.316 -0.000) 4.410 5.419 ( 14.202 -0.454 -0.000) 14.209 5.749 ( -2.470 28.456 0.000) 28.563 5.950 ( 4.512 -10.033 -0.000) 11.001 6.037 ( 1.641 7.985 0.000) 8.152 6.234 ( -9.470 -11.208 -0.000) 14.673 6.277 ( -3.096 7.069 0.000) 7.718 6.414 ( -4.232 -4.265 -0.000) 6.008 6.560 ( -2.098 -3.821 -0.000) 4.360 6.618 ( 0.490 5.520 0.000) 5.542 6.766 ( -1.665 -12.118 -0.000) 12.231 6.803 ( 4.885 4.891 0.000) 6.913 6.912 ( 3.204 -3.236 -0.000) 4.553 7.082 ( -8.131 3.497 0.000) 8.852 7.133 ( -1.399 -18.752 -0.000) 18.804 7.263 ( 8.307 -0.346 -0.000) 8.315 7.359 ( -1.287 -4.091 -0.000) 4.288 7.499 ( 1.017 -1.033 -0.000) 1.450 7.730 ( 5.295 -9.051 -0.000) 10.486 7.754 ( -4.102 14.675 0.000) 15.238 7.904 ( 0.350 3.275 0.000) 3.294 8.028 ( -1.524 -5.985 -0.000) 6.176 8.288 ( 12.692 11.931 0.000) 17.420 8.330 ( 1.153 -8.194 -0.000) 8.275 8.741 ( -2.807 -1.105 0.000) 3.016 8.814 ( -0.763 8.207 0.000) 8.243 9.286 ( -2.340 -3.566 -0.000) 4.265 9.643 ( 5.342 3.121 0.000) 6.187 9.655 ( 1.782 -4.441 -0.000) 4.785 9.673 ( -2.545 8.261 0.000) 8.644 9.951 ( -7.356 -7.251 -0.000) 10.329 10.153 ( 1.080 7.710 0.000) 7.785 10.247 ( 0.768 -11.129 -0.000) 11.155 11.184 ( -0.804 -3.805 -0.000) 3.889 11.319 ( 4.158 0.269 -0.000) 4.166 11.691 ( 5.214 17.490 0.000) 18.250 11.826 ( -6.722 2.522 0.000) 7.180 11.885 ( -6.615 2.564 0.000) 7.094 12.193 ( -5.099 0.487 0.000) 5.122 12.359 ( -4.219 -0.537 0.000) 4.253 12.507 ( 2.408 0.857 -0.000) 2.556 12.613 ( -3.359 1.653 0.000) 3.744 12.901 ( 1.886 -1.641 -0.000) 2.500 13.185 ( 3.731 1.514 -0.000) 4.026 13.377 ( -3.162 -4.333 -0.000) 5.364 13.418 ( 4.175 -5.069 -0.000) 6.567 13.666 ( 4.899 0.704 -0.000) 4.949 13.687 ( 0.715 4.569 0.000) 4.625 13.842 ( 2.568 -3.309 -0.000) 4.188 14.709 ( -0.036 -1.432 -0.000) 1.433 14.731 ( -0.920 -1.749 -0.000) 1.976 15.111 ( -9.575 -1.849 0.000) 9.752 15.435 ( -1.298 5.278 0.000) 5.435 15.645 ( 4.063 -0.893 -0.000) 4.160 15.869 ( 2.643 5.600 0.000) 6.193 15.996 ( 3.547 -3.911 -0.000) 5.279 16.088 ( -3.088 3.278 0.000) 4.504 16.227 ( 2.463 -6.333 -0.000) 6.795 16.314 ( -1.512 -4.117 -0.000) 4.386 16.646 ( -6.933 -0.985 0.000) 7.003 16.698 ( -0.901 8.535 0.000) 8.583 17.227 ( 4.351 -6.215 -0.000) 7.587 17.318 ( 7.318 1.966 -0.000) 7.577 17.640 ( -12.505 -1.527 0.000) 12.598 17.731 ( -5.249 -2.787 -0.000) 5.943 18.213 ( 8.492 0.298 -0.000) 8.497 18.356 ( 13.233 3.626 -0.000) 13.721 18.990 ( -5.709 3.631 0.000) 6.766 19.095 ( -4.400 0.343 0.000) 4.413 19.254 ( -11.837 -0.018 0.000) 11.837 19.481 ( 0.301 0.676 0.000) 0.739 19.910 ( 8.433 -2.554 -0.000) 8.811 20.304 ( 13.467 -2.169 -0.000) 13.641 23.249 ( -12.479 -1.348 0.000) 12.552 23.393 ( -5.509 -2.382 0.000) 6.002 23.889 ( 11.099 4.994 -0.000) 12.171 24.103 ( 13.858 5.664 -0.000) 14.971 24.994 ( -13.109 -1.682 0.000) 13.217 25.198 ( -4.987 -2.087 0.000) 5.406 25.395 ( 2.294 -0.724 -0.000) 2.406 25.405 ( 2.271 -1.736 -0.000) 2.858 26.070 ( -14.400 1.954 0.000) 14.532 26.143 ( 2.768 2.000 0.000) 3.415 26.301 ( 10.086 -3.138 -0.000) 10.563 26.851 ( -13.499 -8.391 -0.000) 15.894 29.761 ( 0.887 10.381 0.000) 10.419 30.420 ( 0.979 -26.909 -0.000) 26.927 32.091 ( -0.831 39.848 0.000) 39.856 33.017 ( 0.695 -0.229 -0.000) 0.732 33.040 ( -0.839 -3.931 -0.000) 4.020 33.365 ( 0.787 7.742 0.000) 7.781 33.540 ( -0.024 -9.702 -0.000) 9.702 33.695 ( 0.219 1.569 0.000) 1.584 33.768 ( -0.049 -3.202 -0.000) 3.202 33.851 ( 8.258 -6.562 -0.000) 10.548 33.925 ( -0.516 3.558 0.000) 3.595 34.083 ( 0.534 -1.767 -0.000) 1.846 ======================= Grid point 99 (61/69) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 19.589 0.000 -0.000) 19.589 1.846 ( 18.456 0.000 -0.000) 18.456 2.467 ( -8.391 -0.000 0.000) 8.391 3.032 ( -8.705 -0.000 0.000) 8.705 3.085 ( -3.796 -0.000 0.000) 3.796 3.259 ( -13.372 -0.000 0.000) 13.372 3.381 ( 36.654 0.000 -0.000) 36.654 3.777 ( -18.765 -0.000 0.000) 18.765 4.117 ( -10.718 -0.000 0.000) 10.718 4.152 ( -8.621 -0.000 0.000) 8.621 4.939 ( -3.299 -0.000 0.000) 3.299 4.940 ( -2.035 -0.000 0.000) 2.035 5.076 ( 15.983 0.000 -0.000) 15.983 5.341 ( -5.961 -0.000 0.000) 5.961 5.951 ( -1.469 -0.000 0.000) 1.469 6.004 ( 2.778 0.000 -0.000) 2.778 6.229 ( 0.655 0.000 -0.000) 0.655 6.251 ( 10.430 0.000 -0.000) 10.430 6.565 ( -12.792 -0.000 0.000) 12.792 6.588 ( 2.454 0.000 -0.000) 2.454 6.666 ( 0.032 0.000 -0.000) 0.032 6.814 ( 12.393 0.000 -0.000) 12.393 6.878 ( -12.073 -0.000 0.000) 12.073 6.940 ( -0.186 -0.000 0.000) 0.186 7.092 ( 12.401 0.000 -0.000) 12.401 7.216 ( -17.158 -0.000 0.000) 17.158 7.253 ( 1.230 0.000 -0.000) 1.230 7.422 ( -2.743 -0.000 0.000) 2.743 7.578 ( 3.909 0.000 -0.000) 3.909 7.691 ( 9.736 0.000 -0.000) 9.736 7.738 ( 2.962 0.000 -0.000) 2.962 7.751 ( 13.135 0.000 -0.000) 13.135 7.814 ( -12.378 -0.000 0.000) 12.378 8.315 ( -2.635 -0.000 0.000) 2.635 8.472 ( -5.579 -0.000 0.000) 5.579 8.596 ( 1.473 0.000 -0.000) 1.473 8.843 ( 1.128 0.000 -0.000) 1.128 9.349 ( -3.426 -0.000 0.000) 3.426 9.475 ( 8.259 0.000 -0.000) 8.259 9.583 ( 3.055 0.000 -0.000) 3.055 9.675 ( -0.640 -0.000 0.000) 0.640 10.101 ( 2.041 0.000 -0.000) 2.041 10.214 ( -12.373 -0.000 0.000) 12.373 10.304 ( 2.995 0.000 -0.000) 2.995 11.276 ( -2.662 -0.000 0.000) 2.662 11.287 ( 3.130 0.000 -0.000) 3.130 11.346 ( 6.493 0.000 -0.000) 6.493 11.994 ( -12.270 -0.000 0.000) 12.270 12.025 ( -9.450 -0.000 0.000) 9.450 12.308 ( -6.369 -0.000 0.000) 6.369 12.447 ( 3.326 0.000 -0.000) 3.326 12.458 ( -4.770 -0.000 0.000) 4.770 12.671 ( -4.271 -0.000 0.000) 4.271 12.875 ( 2.865 0.000 -0.000) 2.865 13.064 ( 5.662 0.000 -0.000) 5.662 13.331 ( 8.729 0.000 -0.000) 8.729 13.526 ( -6.170 -0.000 0.000) 6.170 13.548 ( 6.816 0.000 -0.000) 6.816 13.606 ( 1.568 0.000 -0.000) 1.568 13.857 ( -1.239 -0.000 0.000) 1.239 14.715 ( 0.588 0.000 -0.000) 0.588 14.784 ( -2.194 -0.000 0.000) 2.194 15.330 ( -9.902 -0.000 0.000) 9.902 15.390 ( 3.426 0.000 -0.000) 3.426 15.548 ( 2.899 0.000 -0.000) 2.899 15.761 ( 1.645 0.000 -0.000) 1.645 15.952 ( 5.465 0.000 -0.000) 5.465 16.105 ( -2.137 -0.000 0.000) 2.137 16.238 ( 2.651 0.000 -0.000) 2.651 16.362 ( -0.189 -0.000 0.000) 0.189 16.672 ( -3.267 -0.000 0.000) 3.267 16.837 ( -11.741 -0.000 0.000) 11.741 17.104 ( 12.427 0.000 -0.000) 12.427 17.198 ( 3.413 0.000 -0.000) 3.413 17.910 ( -9.809 -0.000 0.000) 9.809 17.955 ( -16.600 -0.000 0.000) 16.600 18.014 ( 10.953 0.000 -0.000) 10.953 18.033 ( 14.753 0.000 -0.000) 14.753 19.074 ( -5.743 -0.000 0.000) 5.743 19.179 ( -5.496 -0.000 0.000) 5.496 19.424 ( 3.574 0.000 -0.000) 3.574 19.524 ( -13.461 -0.000 0.000) 13.461 19.720 ( 12.886 0.000 -0.000) 12.886 20.031 ( 17.094 0.000 -0.000) 17.094 23.594 ( -20.018 -0.000 0.000) 20.018 23.597 ( -11.692 -0.000 0.000) 11.692 23.599 ( 11.648 0.000 -0.000) 11.648 23.772 ( 13.649 0.000 -0.000) 13.649 25.241 ( -9.538 -0.000 0.000) 9.538 25.294 ( -2.066 -0.000 0.000) 2.066 25.316 ( 5.897 0.000 -0.000) 5.897 25.340 ( 5.746 0.000 -0.000) 5.746 26.052 ( 4.044 0.000 -0.000) 4.044 26.167 ( 4.792 0.000 -0.000) 4.792 26.298 ( -12.007 -0.000 0.000) 12.007 27.270 ( -16.643 -0.000 0.000) 16.643 29.653 ( 0.327 0.000 -0.000) 0.327 30.779 ( 2.613 0.000 -0.000) 2.613 31.568 ( -0.488 -0.000 0.000) 0.488 32.993 ( 1.573 0.000 -0.000) 1.573 33.122 ( -1.533 -0.000 0.000) 1.533 33.238 ( 1.923 0.000 -0.000) 1.923 33.637 ( -0.767 -0.000 0.000) 0.767 33.675 ( 0.345 0.000 -0.000) 0.345 33.762 ( 6.234 0.000 -0.000) 6.234 33.847 ( 0.480 0.000 -0.000) 0.480 33.887 ( -0.813 -0.000 0.000) 0.813 34.086 ( 0.842 0.000 -0.000) 0.842 ======================= Grid point 105 (62/69) ======================= q-point: (-0.31 0.44 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 0.000 -27.709 9.112) 29.168 2.223 ( 0.000 -19.462 45.456) 49.447 2.668 ( 0.000 0.191 34.566) 34.566 2.756 ( -0.000 21.728 9.820) 23.844 3.436 ( 0.000 10.173 20.565) 22.943 3.711 ( -0.000 17.083 23.720) 29.231 3.757 ( 0.000 -7.404 -5.283) 9.096 3.835 ( -0.000 16.421 12.540) 20.661 3.898 ( 0.000 -12.224 5.292) 13.321 4.228 ( 0.000 -20.011 1.731) 20.086 4.283 ( -0.000 14.734 1.231) 14.785 4.807 ( -0.000 -0.593 -8.501) 8.521 5.471 ( -0.000 15.075 -12.787) 19.767 5.671 ( -0.000 1.864 -22.890) 22.966 5.672 ( -0.000 4.632 -2.507) 5.267 6.107 ( 0.000 -9.823 -1.896) 10.004 6.121 ( 0.000 -14.353 -4.075) 14.920 6.277 ( -0.000 15.305 6.124) 16.485 6.349 ( -0.000 0.572 0.204) 0.607 6.475 ( -0.000 7.355 -9.829) 12.276 6.579 ( -0.000 5.595 -1.381) 5.763 6.731 ( 0.000 -9.191 8.456) 12.489 6.906 ( 0.000 -13.639 -1.208) 13.692 6.970 ( 0.000 -0.532 3.236) 3.279 7.033 ( 0.000 -19.341 -11.469) 22.485 7.309 ( -0.000 1.191 -2.580) 2.842 7.342 ( 0.000 2.203 28.571) 28.656 7.425 ( 0.000 -4.367 2.896) 5.240 7.526 ( 0.000 -6.458 2.519) 6.932 7.673 ( -0.000 12.625 -1.342) 12.697 7.843 ( 0.000 0.611 13.076) 13.091 7.995 ( 0.000 -0.973 7.897) 7.957 8.083 ( 0.000 -4.588 8.148) 9.351 8.444 ( -0.000 17.222 -1.394) 17.278 8.555 ( 0.000 -4.801 11.085) 12.080 8.751 ( 0.000 -6.380 -3.402) 7.231 8.757 ( -0.000 7.624 8.949) 11.756 9.268 ( 0.000 -3.926 1.053) 4.065 9.646 ( 0.000 -3.575 -3.397) 4.932 9.647 ( -0.000 6.119 1.633) 6.333 9.728 ( -0.000 5.407 2.568) 5.986 9.902 ( 0.000 -9.558 2.211) 9.811 10.138 ( -0.000 8.712 -2.394) 9.034 10.243 ( 0.000 -10.214 -1.581) 10.336 11.192 ( 0.000 -2.216 0.943) 2.409 11.349 ( -0.000 0.342 -1.008) 1.064 11.741 ( -0.000 16.481 -0.191) 16.482 11.781 ( -0.000 10.168 3.100) 10.630 11.828 ( 0.000 -4.200 -0.127) 4.202 12.140 ( -0.000 0.129 -0.459) 0.477 12.235 ( -0.000 -0.223 -7.996) 7.999 12.464 ( -0.000 2.057 -9.514) 9.734 12.523 ( -0.000 0.477 -2.064) 2.118 12.885 ( -0.000 -1.190 -3.384) 3.588 13.245 ( 0.000 0.801 2.001) 2.156 13.292 ( 0.000 -4.546 -4.984) 6.745 13.450 ( 0.000 -5.462 -0.830) 5.525 13.616 ( -0.000 5.507 -8.248) 9.918 13.688 ( -0.000 1.769 -2.941) 3.432 13.830 ( 0.000 -4.017 -4.810) 6.267 14.694 ( 0.000 -1.378 -1.267) 1.872 14.710 ( 0.000 -2.091 -0.738) 2.218 14.941 ( -0.000 -2.098 -4.031) 4.545 15.458 ( -0.000 5.139 3.501) 6.218 15.538 ( -0.000 -0.911 -7.787) 7.840 15.992 ( -0.000 3.888 -1.426) 4.141 16.022 ( 0.000 -3.691 -0.271) 3.701 16.096 ( 0.000 3.012 9.688) 10.146 16.367 ( 0.000 -2.124 6.164) 6.519 16.377 ( 0.000 -7.483 8.456) 11.292 16.588 ( 0.000 -0.973 1.194) 1.540 16.714 ( -0.000 10.014 2.505) 10.322 17.295 ( 0.000 -8.825 0.708) 8.854 17.379 ( -0.000 1.363 -1.051) 1.721 17.537 ( 0.000 1.709 4.014) 4.362 17.719 ( 0.000 -3.512 3.875) 5.230 18.274 ( -0.000 0.058 -2.899) 2.900 18.430 ( -0.000 2.941 -6.735) 7.349 19.014 ( 0.000 2.896 5.333) 6.068 19.076 ( 0.000 0.025 3.037) 3.037 19.148 ( 0.000 2.058 4.967) 5.376 19.502 ( 0.000 0.052 1.356) 1.357 19.952 ( 0.000 -2.869 -3.880) 4.825 20.401 ( -0.000 -2.199 -4.344) 4.869 23.138 ( 0.000 -1.752 2.162) 2.783 23.398 ( 0.000 -1.422 5.629) 5.805 23.953 ( -0.000 4.190 -6.334) 7.595 24.226 ( -0.000 6.715 -4.702) 8.197 24.887 ( 0.000 -2.499 5.551) 6.087 25.183 ( 0.000 -1.458 4.655) 4.878 25.411 ( 0.000 -2.377 -1.552) 2.839 25.418 ( 0.000 -1.108 0.158) 1.120 25.903 ( 0.000 -2.589 -0.597) 2.657 26.170 ( -0.000 1.892 -0.237) 1.907 26.454 ( 0.000 -6.144 -1.503) 6.325 26.585 ( -0.000 -1.496 -6.020) 6.203 29.757 ( -0.000 9.778 -0.995) 9.828 30.438 ( 0.000 -26.823 0.564) 26.829 32.083 ( -0.000 39.259 -0.162) 39.260 32.720 ( -0.000 -2.964 -21.369) 21.574 32.753 ( -0.000 -0.202 -18.223) 18.225 32.909 ( -0.000 5.128 -28.638) 29.093 33.083 ( -0.000 -3.115 -30.781) 30.938 33.719 ( 0.000 -15.734 -6.881) 17.173 34.182 ( 0.000 1.230 34.171) 34.193 34.232 ( 0.000 -5.242 34.736) 35.129 34.465 ( 0.000 6.133 37.843) 38.337 34.732 ( 0.000 6.593 38.372) 38.934 ======================= Grid point 106 (63/69) ======================= q-point: ( 0.69 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 0.000 -0.000 21.888) 21.888 2.966 ( -0.000 0.000 -2.268) 2.268 3.317 ( -0.000 0.000 -5.368) 5.368 3.329 ( -0.000 0.000 -10.820) 10.820 3.460 ( -0.000 0.000 -22.321) 22.321 3.546 ( 0.000 -0.000 21.873) 21.873 3.900 ( 0.000 -0.000 8.849) 8.849 4.195 ( 0.000 -0.000 4.547) 4.547 4.384 ( 0.000 -0.000 0.617) 0.617 4.622 ( 0.000 -0.000 8.416) 8.416 4.837 ( 0.000 -0.000 16.580) 16.580 4.927 ( 0.000 -0.000 3.886) 3.886 4.987 ( 0.000 -0.000 2.906) 2.906 5.277 ( 0.000 -0.000 12.349) 12.349 5.336 ( -0.000 0.000 -8.903) 8.903 5.776 ( -0.000 0.000 -22.616) 22.616 5.996 ( -0.000 0.000 -2.684) 2.684 6.242 ( -0.000 0.000 -1.873) 1.873 6.268 ( -0.000 0.000 -7.417) 7.417 6.353 ( -0.000 0.000 -0.663) 0.663 6.678 ( 0.000 -0.000 8.083) 8.083 6.837 ( 0.000 -0.000 5.000) 5.000 6.850 ( -0.000 0.000 -7.926) 7.926 6.928 ( -0.000 0.000 -2.464) 2.464 7.340 ( 0.000 -0.000 3.836) 3.836 7.365 ( 0.000 -0.000 5.030) 5.030 7.652 ( 0.000 -0.000 16.322) 16.322 7.658 ( -0.000 0.000 -5.002) 5.002 7.709 ( 0.000 -0.000 8.008) 8.008 8.023 ( -0.000 0.000 -5.888) 5.888 8.364 ( 0.000 -0.000 9.817) 9.817 8.502 ( 0.000 -0.000 20.063) 20.063 8.583 ( 0.000 -0.000 0.800) 0.800 8.708 ( 0.000 -0.000 14.356) 14.356 8.754 ( 0.000 -0.000 16.911) 16.911 8.851 ( 0.000 -0.000 7.231) 7.231 9.139 ( -0.000 0.000 -1.322) 1.322 9.388 ( 0.000 -0.000 3.018) 3.018 9.435 ( -0.000 0.000 -3.456) 3.456 9.732 ( 0.000 -0.000 0.527) 0.527 9.895 ( 0.000 -0.000 10.891) 10.891 9.925 ( -0.000 0.000 -4.551) 4.551 10.083 ( -0.000 0.000 -8.198) 8.198 10.200 ( 0.000 -0.000 5.422) 5.422 11.232 ( -0.000 0.000 -0.687) 0.687 11.315 ( -0.000 0.000 -0.484) 0.484 11.647 ( 0.000 -0.000 0.848) 0.848 11.683 ( -0.000 0.000 -6.853) 6.853 11.700 ( -0.000 0.000 -9.034) 9.034 11.745 ( -0.000 0.000 -6.896) 6.896 11.949 ( -0.000 0.000 -9.343) 9.343 12.254 ( 0.000 -0.000 7.519) 7.519 12.449 ( -0.000 0.000 -1.319) 1.319 12.714 ( -0.000 0.000 -4.441) 4.441 13.053 ( -0.000 0.000 -9.136) 9.136 13.160 ( -0.000 0.000 -1.720) 1.720 13.424 ( 0.000 -0.000 0.214) 0.214 13.427 ( 0.000 -0.000 5.212) 5.212 13.441 ( -0.000 0.000 -8.122) 8.122 13.626 ( -0.000 0.000 -5.897) 5.897 14.671 ( -0.000 0.000 -2.170) 2.170 14.744 ( 0.000 -0.000 0.340) 0.340 15.136 ( 0.000 -0.000 13.988) 13.988 15.490 ( -0.000 0.000 -5.806) 5.806 15.594 ( 0.000 -0.000 7.558) 7.558 15.909 ( 0.000 -0.000 3.130) 3.130 15.933 ( -0.000 0.000 -7.568) 7.568 16.335 ( 0.000 -0.000 2.229) 2.229 16.567 ( 0.000 -0.000 4.823) 4.823 16.604 ( -0.000 0.000 -0.080) 0.080 16.608 ( -0.000 0.000 -1.924) 1.924 16.727 ( 0.000 -0.000 1.558) 1.558 17.358 ( -0.000 0.000 -0.207) 0.207 17.452 ( 0.000 -0.000 1.391) 1.391 17.795 ( 0.000 -0.000 8.827) 8.827 18.004 ( 0.000 -0.000 7.875) 7.875 18.085 ( -0.000 0.000 -8.807) 8.807 18.110 ( -0.000 0.000 -5.161) 5.161 19.019 ( -0.000 0.000 -1.166) 1.166 19.281 ( 0.000 -0.000 3.664) 3.664 19.349 ( 0.000 -0.000 4.145) 4.145 19.556 ( 0.000 -0.000 0.879) 0.879 19.888 ( 0.000 -0.000 0.736) 0.736 20.206 ( -0.000 0.000 -7.818) 7.818 23.350 ( 0.000 -0.000 7.759) 7.759 23.569 ( -0.000 0.000 -9.951) 9.951 23.765 ( 0.000 -0.000 11.145) 11.145 23.899 ( -0.000 0.000 -7.526) 7.526 25.144 ( 0.000 -0.000 4.204) 4.204 25.316 ( -0.000 0.000 -4.845) 4.845 25.398 ( 0.000 -0.000 3.739) 3.739 25.399 ( -0.000 0.000 -1.941) 1.941 25.870 ( -0.000 0.000 -2.181) 2.181 26.152 ( 0.000 -0.000 0.459) 0.459 26.309 ( -0.000 0.000 -3.706) 3.706 26.381 ( -0.000 0.000 -3.895) 3.895 29.689 ( 0.000 -0.000 1.414) 1.414 30.819 ( -0.000 0.000 -1.448) 1.448 31.560 ( 0.000 -0.000 0.171) 0.171 32.087 ( -0.000 0.000 -9.195) 9.195 32.156 ( -0.000 0.000 -8.153) 8.153 32.174 ( -0.000 0.000 -9.838) 9.838 32.273 ( -0.000 0.000 -8.945) 8.945 33.668 ( -0.000 0.000 -3.701) 3.701 35.388 ( 0.000 -0.000 20.049) 20.049 35.422 ( 0.000 -0.000 15.128) 15.128 35.744 ( 0.000 -0.000 23.810) 23.810 35.900 ( 0.000 -0.000 23.396) 23.396 ======================= Grid point 115 (64/69) ======================= q-point: (-0.34 0.46 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 14.840 0.000 10.292) 18.059 2.479 ( -2.436 -0.000 35.005) 35.090 2.659 ( -10.000 -0.000 31.620) 33.164 2.954 ( -14.136 -0.000 14.901) 20.539 3.184 ( 8.121 0.000 9.785) 12.716 3.318 ( -4.593 -0.000 22.262) 22.731 3.766 ( 9.062 0.000 -8.180) 12.208 3.806 ( -3.570 -0.000 25.365) 25.615 3.982 ( -6.009 -0.000 -0.269) 6.015 4.076 ( 1.371 0.000 8.553) 8.662 4.763 ( -2.939 -0.000 -14.461) 14.756 4.900 ( -2.958 -0.000 3.598) 4.658 5.107 ( -3.017 -0.000 -9.551) 10.016 5.463 ( 16.184 0.000 -0.719) 16.200 5.796 ( -7.450 -0.000 -16.928) 18.494 5.976 ( 0.344 0.000 3.291) 3.309 6.125 ( 7.523 0.000 -7.811) 10.845 6.267 ( 6.528 0.000 -6.380) 9.128 6.396 ( -4.573 -0.000 -1.811) 4.919 6.541 ( -6.423 -0.000 -7.167) 9.624 6.593 ( -9.616 -0.000 -5.103) 10.886 6.874 ( -0.011 -0.000 13.686) 13.686 6.952 ( 4.949 0.000 -4.255) 6.526 7.007 ( -1.108 -0.000 7.401) 7.484 7.241 ( -2.026 -0.000 7.339) 7.614 7.281 ( 3.361 0.000 14.031) 14.428 7.330 ( -4.594 -0.000 -7.224) 8.561 7.411 ( 5.497 0.000 7.352) 9.180 7.571 ( -7.871 -0.000 0.032) 7.871 7.646 ( 1.671 0.000 2.847) 3.301 7.747 ( 10.909 0.000 9.013) 14.151 8.011 ( -2.213 -0.000 7.625) 7.940 8.049 ( 6.952 0.000 4.762) 8.426 8.275 ( -1.726 -0.000 4.169) 4.512 8.567 ( 1.057 0.000 -2.267) 2.502 8.658 ( 3.207 0.000 16.180) 16.494 8.848 ( -1.114 -0.000 0.850) 1.402 9.341 ( -2.554 -0.000 2.612) 3.653 9.562 ( 4.322 0.000 -3.765) 5.732 9.623 ( -4.119 -0.000 2.802) 4.982 9.671 ( 1.606 0.000 2.506) 2.976 10.059 ( -6.570 -0.000 3.621) 7.502 10.091 ( 1.063 0.000 -3.365) 3.529 10.327 ( 2.288 0.000 -3.656) 4.313 11.226 ( -0.293 -0.000 -0.671) 0.732 11.320 ( 2.242 0.000 -1.371) 2.628 11.508 ( 4.547 0.000 2.440) 5.160 11.777 ( -9.883 -0.000 3.960) 10.647 11.909 ( -3.550 -0.000 -0.971) 3.681 12.162 ( -2.976 -0.000 -3.742) 4.781 12.298 ( -5.618 -0.000 -5.927) 8.166 12.407 ( 2.864 0.000 -9.468) 9.891 12.566 ( -3.829 -0.000 -2.057) 4.347 12.873 ( 2.462 0.000 -4.298) 4.953 13.188 ( 4.391 0.000 2.347) 4.979 13.364 ( -1.140 -0.000 -5.569) 5.685 13.509 ( 0.274 0.000 2.445) 2.460 13.541 ( 1.479 0.000 -9.350) 9.466 13.637 ( 3.135 0.000 -2.114) 3.781 13.817 ( 3.474 0.000 -5.727) 6.698 14.717 ( 0.028 0.000 -0.495) 0.496 14.742 ( -1.229 -0.000 -0.842) 1.490 15.045 ( -8.038 -0.000 -5.961) 10.007 15.403 ( 1.354 0.000 0.564) 1.466 15.512 ( 2.185 0.000 -4.593) 5.086 15.945 ( 1.195 0.000 3.462) 3.662 16.037 ( 2.848 0.000 -0.904) 2.988 16.091 ( -2.753 -0.000 7.195) 7.704 16.335 ( 3.675 0.000 3.772) 5.266 16.467 ( -0.063 -0.000 9.065) 9.065 16.636 ( -2.305 -0.000 2.428) 3.348 16.658 ( -6.374 -0.000 0.156) 6.376 17.295 ( 7.210 0.000 -0.162) 7.212 17.324 ( 3.922 0.000 3.555) 5.293 17.612 ( -7.559 -0.000 -2.428) 7.939 17.856 ( -9.959 -0.000 7.286) 12.340 18.118 ( 11.814 0.000 -6.483) 13.476 18.377 ( 6.110 0.000 2.656) 6.663 18.962 ( -2.022 -0.000 1.903) 2.777 19.091 ( -3.616 -0.000 -0.062) 3.617 19.311 ( -11.929 -0.000 4.636) 12.798 19.480 ( 2.187 0.000 0.699) 2.296 19.908 ( 7.092 0.000 -2.280) 7.450 20.311 ( 10.595 0.000 -1.400) 10.688 23.253 ( -9.240 -0.000 -0.329) 9.246 23.501 ( -9.059 -0.000 7.201) 11.573 23.736 ( 13.075 0.000 -7.610) 15.128 24.122 ( 7.536 0.000 4.876) 8.976 24.945 ( -6.441 -0.000 -4.341) 7.767 25.300 ( -6.530 -0.000 6.109) 8.942 25.357 ( 5.345 0.000 -3.178) 6.218 25.450 ( 0.529 0.000 1.517) 1.606 26.041 ( -10.448 -0.000 -1.450) 10.548 26.122 ( 2.713 0.000 0.047) 2.713 26.325 ( 9.705 0.000 -0.490) 9.718 26.825 ( -13.193 -0.000 -10.597) 16.922 29.662 ( 0.047 0.000 0.167) 0.174 30.824 ( 1.582 0.000 0.202) 1.595 31.560 ( -0.282 -0.000 0.008) 0.282 32.744 ( 0.870 0.000 -18.657) 18.677 32.782 ( -1.523 0.000 -21.209) 21.264 32.834 ( 0.579 0.000 -27.593) 27.599 33.113 ( 0.023 0.000 -31.428) 31.428 33.831 ( 3.860 0.000 -2.790) 4.763 34.154 ( 2.116 -0.000 32.165) 32.235 34.328 ( 0.077 -0.000 34.660) 34.661 34.376 ( -1.830 -0.000 38.766) 38.809 34.669 ( -0.178 -0.000 37.002) 37.003 ======================= Grid point 125 (65/69) ======================= q-point: ( 0.62 -0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 0.000 -0.000 11.700) 11.700 2.860 ( 0.000 -0.000 12.508) 12.508 3.135 ( 0.000 -0.000 21.006) 21.006 3.159 ( 0.000 -0.000 18.102) 18.102 3.571 ( -0.000 0.000 -11.319) 11.319 3.687 ( 0.000 -0.000 13.156) 13.156 3.836 ( 0.000 -0.000 30.119) 30.119 3.896 ( -0.000 0.000 -8.557) 8.557 4.365 ( 0.000 -0.000 15.863) 15.863 4.374 ( 0.000 -0.000 29.750) 29.750 4.408 ( -0.000 0.000 -10.169) 10.169 4.931 ( -0.000 0.000 -4.747) 4.747 5.012 ( 0.000 -0.000 11.101) 11.101 5.179 ( -0.000 0.000 -20.960) 20.960 5.565 ( -0.000 0.000 -10.751) 10.751 6.026 ( -0.000 0.000 -0.559) 0.559 6.178 ( -0.000 0.000 -15.896) 15.896 6.294 ( -0.000 0.000 -4.007) 4.007 6.314 ( 0.000 -0.000 1.971) 1.971 6.370 ( -0.000 0.000 -0.902) 0.902 6.444 ( 0.000 -0.000 11.709) 11.709 6.921 ( -0.000 0.000 -14.042) 14.042 6.957 ( -0.000 0.000 -0.963) 0.963 6.999 ( -0.000 0.000 -3.770) 3.770 7.213 ( 0.000 -0.000 9.914) 9.914 7.216 ( 0.000 -0.000 5.790) 5.790 7.457 ( 0.000 -0.000 3.950) 3.950 7.583 ( 0.000 -0.000 5.050) 5.050 7.713 ( 0.000 -0.000 0.648) 0.648 7.971 ( 0.000 -0.000 30.660) 30.660 8.060 ( 0.000 -0.000 2.083) 2.083 8.176 ( 0.000 -0.000 6.380) 6.380 8.298 ( 0.000 -0.000 26.301) 26.301 8.420 ( 0.000 -0.000 12.425) 12.425 8.600 ( 0.000 -0.000 0.021) 0.021 8.777 ( 0.000 -0.000 0.443) 0.443 9.033 ( 0.000 -0.000 11.839) 11.839 9.331 ( 0.000 -0.000 2.263) 2.263 9.519 ( -0.000 0.000 -4.881) 4.881 9.707 ( 0.000 -0.000 8.255) 8.255 9.711 ( 0.000 -0.000 1.532) 1.532 10.018 ( -0.000 0.000 -4.849) 4.849 10.094 ( 0.000 -0.000 5.364) 5.364 10.235 ( -0.000 0.000 -7.165) 7.165 11.228 ( 0.000 -0.000 0.357) 0.357 11.327 ( -0.000 0.000 -0.831) 0.831 11.597 ( 0.000 -0.000 2.927) 2.927 11.768 ( 0.000 -0.000 1.688) 1.688 11.833 ( -0.000 0.000 -4.116) 4.116 12.000 ( -0.000 0.000 -14.743) 14.743 12.097 ( -0.000 0.000 -4.749) 4.749 12.235 ( -0.000 0.000 -7.575) 7.575 12.485 ( -0.000 0.000 -2.000) 2.000 12.808 ( -0.000 0.000 -5.086) 5.086 13.238 ( -0.000 0.000 -5.594) 5.594 13.280 ( -0.000 0.000 -7.878) 7.878 13.339 ( -0.000 0.000 -1.600) 1.600 13.464 ( -0.000 0.000 -3.347) 3.347 13.580 ( -0.000 0.000 -5.858) 5.858 13.748 ( -0.000 0.000 -6.560) 6.560 14.702 ( -0.000 0.000 -0.274) 0.274 14.724 ( 0.000 -0.000 0.774) 0.774 14.948 ( 0.000 -0.000 3.900) 3.900 15.493 ( 0.000 -0.000 1.900) 1.900 15.494 ( 0.000 -0.000 3.962) 3.962 15.908 ( -0.000 0.000 -2.236) 2.236 16.030 ( -0.000 0.000 -2.562) 2.562 16.246 ( 0.000 -0.000 7.009) 7.009 16.481 ( 0.000 -0.000 4.018) 4.018 16.589 ( 0.000 -0.000 4.207) 4.207 16.602 ( 0.000 -0.000 0.241) 0.241 16.675 ( 0.000 -0.000 3.545) 3.545 17.363 ( -0.000 0.000 -0.227) 0.227 17.414 ( 0.000 -0.000 2.154) 2.154 17.629 ( 0.000 -0.000 7.535) 7.535 17.862 ( 0.000 -0.000 6.490) 6.490 18.201 ( -0.000 0.000 -4.226) 4.226 18.251 ( -0.000 0.000 -8.095) 8.095 19.037 ( -0.000 0.000 -0.464) 0.464 19.171 ( 0.000 -0.000 7.190) 7.190 19.247 ( 0.000 -0.000 6.107) 6.107 19.530 ( 0.000 -0.000 1.628) 1.628 19.910 ( -0.000 0.000 -2.902) 2.902 20.337 ( -0.000 0.000 -5.537) 5.537 23.226 ( 0.000 -0.000 4.898) 4.898 23.564 ( 0.000 -0.000 9.196) 9.196 23.758 ( -0.000 0.000 -9.066) 9.066 24.042 ( -0.000 0.000 -6.879) 6.879 25.035 ( 0.000 -0.000 6.537) 6.537 25.304 ( 0.000 -0.000 5.591) 5.591 25.392 ( -0.000 0.000 -2.969) 2.969 25.423 ( -0.000 0.000 -0.656) 0.656 25.906 ( -0.000 0.000 -1.494) 1.494 26.148 ( -0.000 0.000 -0.027) 0.027 26.438 ( -0.000 0.000 -8.558) 8.558 26.455 ( -0.000 0.000 -3.563) 3.563 29.667 ( 0.000 -0.000 0.695) 0.695 30.838 ( -0.000 0.000 -0.475) 0.475 31.558 ( 0.000 -0.000 0.063) 0.063 32.368 ( -0.000 0.000 -19.572) 19.572 32.392 ( -0.000 0.000 -15.879) 15.879 32.420 ( -0.000 0.000 -14.961) 14.961 32.580 ( -0.000 0.000 -22.123) 22.123 33.765 ( -0.000 0.000 -5.980) 5.980 34.851 ( 0.000 -0.000 33.315) 33.315 34.975 ( 0.000 -0.000 29.383) 29.383 35.127 ( 0.000 -0.000 37.551) 37.551 35.352 ( 0.000 -0.000 32.159) 32.159 ======================= Grid point 129 (66/69) ======================= q-point: (-0.38 0.37 -0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.000 -22.876 -0.000) 22.876 1.906 ( 0.000 -22.170 -0.000) 22.170 2.254 ( 0.000 -7.711 -0.000) 7.711 2.674 ( -0.000 22.188 0.000) 22.188 3.167 ( -0.000 13.056 0.000) 13.056 3.408 ( -0.000 4.813 0.000) 4.813 3.752 ( -0.000 31.991 0.000) 31.991 3.786 ( 0.000 -30.418 -0.000) 30.418 3.892 ( -0.000 4.208 0.000) 4.208 4.220 ( 0.000 -21.811 -0.000) 21.811 4.273 ( -0.000 18.271 0.000) 18.271 4.911 ( 0.000 -0.798 -0.000) 0.798 5.590 ( 0.000 -6.422 -0.000) 6.422 5.723 ( -0.000 30.262 0.000) 30.262 5.990 ( 0.000 -1.562 -0.000) 1.562 6.117 ( 0.000 -9.139 -0.000) 9.139 6.149 ( 0.000 -21.875 -0.000) 21.875 6.172 ( -0.000 22.243 0.000) 22.243 6.327 ( 0.000 -0.715 -0.000) 0.715 6.530 ( 0.000 -4.645 -0.000) 4.645 6.660 ( 0.000 -3.853 -0.000) 3.853 6.755 ( -0.000 5.718 0.000) 5.718 6.876 ( -0.000 4.840 0.000) 4.840 6.902 ( -0.000 0.606 0.000) 0.606 6.998 ( 0.000 -6.272 -0.000) 6.272 7.151 ( 0.000 -21.721 -0.000) 21.721 7.325 ( 0.000 -4.963 -0.000) 4.963 7.349 ( -0.000 1.575 0.000) 1.575 7.501 ( 0.000 -2.491 -0.000) 2.491 7.723 ( -0.000 18.447 0.000) 18.447 7.789 ( 0.000 -9.132 -0.000) 9.132 7.910 ( 0.000 -0.280 -0.000) 0.280 7.996 ( 0.000 -9.350 -0.000) 9.350 8.353 ( 0.000 -7.005 -0.000) 7.005 8.459 ( -0.000 17.669 0.000) 17.669 8.687 ( -0.000 11.399 0.000) 11.399 8.793 ( 0.000 -6.075 -0.000) 6.075 9.261 ( 0.000 -4.859 -0.000) 4.859 9.627 ( -0.000 10.488 0.000) 10.488 9.686 ( 0.000 -5.613 -0.000) 5.613 9.703 ( -0.000 3.380 0.000) 3.380 9.872 ( 0.000 -7.741 -0.000) 7.741 10.165 ( -0.000 9.079 0.000) 9.079 10.257 ( 0.000 -12.954 -0.000) 12.954 11.181 ( 0.000 -3.112 -0.000) 3.112 11.362 ( -0.000 1.065 0.000) 1.065 11.746 ( -0.000 18.176 0.000) 18.176 11.747 ( -0.000 12.116 0.000) 12.116 11.827 ( 0.000 -5.404 -0.000) 5.404 12.139 ( -0.000 0.219 0.000) 0.219 12.313 ( 0.000 -0.277 -0.000) 0.277 12.544 ( -0.000 1.221 0.000) 1.221 12.566 ( -0.000 1.385 0.000) 1.385 12.920 ( 0.000 -1.315 -0.000) 1.315 13.222 ( -0.000 1.347 0.000) 1.347 13.347 ( 0.000 -4.595 -0.000) 4.595 13.452 ( 0.000 -5.243 -0.000) 5.243 13.695 ( -0.000 4.357 0.000) 4.357 13.717 ( -0.000 1.740 0.000) 1.740 13.883 ( 0.000 -4.468 -0.000) 4.468 14.708 ( 0.000 -1.969 -0.000) 1.969 14.722 ( 0.000 -1.556 -0.000) 1.556 15.004 ( 0.000 -1.766 -0.000) 1.766 15.420 ( -0.000 5.700 0.000) 5.700 15.687 ( 0.000 -2.135 -0.000) 2.135 15.911 ( -0.000 3.843 0.000) 3.843 16.007 ( -0.000 3.664 0.000) 3.664 16.067 ( 0.000 -2.722 -0.000) 2.722 16.270 ( 0.000 -8.165 -0.000) 8.165 16.280 ( 0.000 -2.657 -0.000) 2.657 16.577 ( 0.000 -1.442 -0.000) 1.442 16.689 ( -0.000 9.672 0.000) 9.672 17.291 ( 0.000 -8.805 -0.000) 8.805 17.393 ( -0.000 2.549 0.000) 2.549 17.495 ( -0.000 0.980 0.000) 0.980 17.679 ( 0.000 -3.115 -0.000) 3.115 18.305 ( -0.000 0.039 0.000) 0.039 18.512 ( -0.000 2.887 0.000) 2.887 18.925 ( -0.000 3.976 0.000) 3.976 19.064 ( 0.000 -1.846 -0.000) 1.846 19.094 ( -0.000 2.335 0.000) 2.335 19.488 ( 0.000 -0.082 -0.000) 0.082 19.994 ( 0.000 -2.540 -0.000) 2.540 20.449 ( -0.000 0.082 0.000) 0.082 23.117 ( 0.000 -1.659 -0.000) 1.659 23.338 ( 0.000 -1.657 -0.000) 1.657 24.020 ( -0.000 4.618 0.000) 4.618 24.276 ( -0.000 6.923 0.000) 6.923 24.827 ( 0.000 -2.846 -0.000) 2.846 25.132 ( 0.000 -1.421 -0.000) 1.421 25.417 ( 0.000 -1.391 -0.000) 1.391 25.426 ( 0.000 -2.187 -0.000) 2.187 25.909 ( 0.000 -2.791 -0.000) 2.791 26.172 ( -0.000 2.041 0.000) 2.041 26.469 ( 0.000 -7.168 -0.000) 7.168 26.648 ( 0.000 -2.538 -0.000) 2.538 29.770 ( -0.000 10.901 0.000) 10.901 30.430 ( 0.000 -27.299 -0.000) 27.299 32.084 ( -0.000 39.378 0.000) 39.378 33.024 ( 0.000 -0.391 -0.000) 0.391 33.032 ( 0.000 -4.012 -0.000) 4.012 33.373 ( -0.000 7.558 0.000) 7.558 33.539 ( 0.000 -9.125 -0.000) 9.125 33.697 ( -0.000 1.590 0.000) 1.590 33.765 ( 0.000 -3.255 -0.000) 3.255 33.920 ( -0.000 3.540 0.000) 3.540 33.943 ( 0.000 -3.600 -0.000) 3.600 34.088 ( 0.000 -1.766 -0.000) 1.766 ======================= Grid point 134 (67/69) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 1.446 0.000 -0.000) 1.446 2.026 ( 1.156 0.000 -0.000) 1.156 2.396 ( 2.471 0.000 -0.000) 2.471 2.776 ( -15.151 -0.000 0.000) 15.151 3.015 ( -2.751 -0.000 0.000) 2.751 3.131 ( -0.236 -0.000 0.000) 0.236 3.536 ( -6.344 -0.000 0.000) 6.344 3.884 ( 15.506 0.000 -0.000) 15.506 3.978 ( -3.964 -0.000 0.000) 3.964 3.991 ( -7.231 -0.000 0.000) 7.231 4.869 ( -4.356 -0.000 0.000) 4.356 4.913 ( 0.102 0.000 -0.000) 0.102 5.229 ( -4.755 -0.000 0.000) 4.755 5.448 ( 21.257 0.000 -0.000) 21.257 5.912 ( -2.023 -0.000 0.000) 2.023 6.029 ( -0.738 -0.000 0.000) 0.738 6.225 ( -1.358 -0.000 0.000) 1.358 6.400 ( -3.351 -0.000 0.000) 3.351 6.459 ( 10.658 0.000 -0.000) 10.658 6.582 ( -16.096 -0.000 0.000) 16.096 6.588 ( -1.062 -0.000 0.000) 1.062 6.744 ( 5.514 0.000 -0.000) 5.514 6.910 ( -14.089 -0.000 0.000) 14.089 6.932 ( -0.324 -0.000 0.000) 0.324 7.022 ( 6.908 0.000 -0.000) 6.908 7.283 ( 1.654 0.000 -0.000) 1.654 7.289 ( 6.213 0.000 -0.000) 6.213 7.395 ( 1.239 0.000 -0.000) 1.239 7.586 ( -9.114 -0.000 0.000) 9.114 7.624 ( 0.198 0.000 -0.000) 0.198 7.829 ( 4.708 0.000 -0.000) 4.708 7.840 ( 5.360 0.000 -0.000) 5.360 7.998 ( 11.426 0.000 -0.000) 11.426 8.250 ( -3.239 -0.000 0.000) 3.239 8.426 ( 0.309 0.000 -0.000) 0.309 8.594 ( -1.847 -0.000 0.000) 1.847 8.859 ( 0.431 0.000 -0.000) 0.431 9.315 ( -0.453 -0.000 0.000) 0.453 9.594 ( -6.292 -0.000 0.000) 6.292 9.606 ( 5.246 0.000 -0.000) 5.246 9.641 ( 2.405 0.000 -0.000) 2.405 10.021 ( -7.247 -0.000 0.000) 7.247 10.126 ( 1.149 0.000 -0.000) 1.149 10.365 ( 3.038 0.000 -0.000) 3.038 11.233 ( -1.659 -0.000 0.000) 1.659 11.336 ( 1.881 0.000 -0.000) 1.881 11.484 ( 6.228 0.000 -0.000) 6.228 11.731 ( -11.122 -0.000 0.000) 11.122 11.918 ( -3.771 -0.000 0.000) 3.771 12.189 ( -5.066 -0.000 0.000) 5.066 12.362 ( -4.577 -0.000 0.000) 4.577 12.498 ( 2.200 0.000 -0.000) 2.200 12.597 ( -3.263 -0.000 0.000) 3.263 12.918 ( 1.571 0.000 -0.000) 1.571 13.163 ( 3.976 0.000 -0.000) 3.976 13.433 ( -3.246 -0.000 0.000) 3.246 13.468 ( 4.429 0.000 -0.000) 4.429 13.635 ( 1.272 0.000 -0.000) 1.272 13.657 ( 4.111 0.000 -0.000) 4.111 13.877 ( 3.342 0.000 -0.000) 3.342 14.724 ( 0.372 0.000 -0.000) 0.372 14.751 ( -1.207 -0.000 0.000) 1.207 15.130 ( -9.659 -0.000 0.000) 9.659 15.379 ( -1.684 -0.000 0.000) 1.684 15.658 ( 5.363 0.000 -0.000) 5.363 15.811 ( 3.510 0.000 -0.000) 3.510 16.039 ( -4.501 -0.000 0.000) 4.501 16.051 ( 4.334 0.000 -0.000) 4.334 16.284 ( 1.960 0.000 -0.000) 1.960 16.357 ( -0.373 -0.000 0.000) 0.373 16.613 ( -2.460 -0.000 0.000) 2.460 16.656 ( -6.628 -0.000 0.000) 6.628 17.285 ( 5.417 0.000 -0.000) 5.417 17.296 ( 7.155 0.000 -0.000) 7.155 17.660 ( -13.421 -0.000 0.000) 13.421 17.762 ( -5.294 -0.000 0.000) 5.294 18.210 ( 8.623 0.000 -0.000) 8.623 18.319 ( 13.842 0.000 -0.000) 13.842 18.953 ( -6.004 -0.000 0.000) 6.004 19.087 ( -3.488 -0.000 0.000) 3.488 19.259 ( -13.180 -0.000 0.000) 13.180 19.473 ( 1.592 0.000 -0.000) 1.592 19.935 ( 8.445 0.000 -0.000) 8.445 20.324 ( 12.074 0.000 -0.000) 12.074 23.265 ( -12.924 -0.000 0.000) 12.924 23.420 ( -6.442 -0.000 0.000) 6.442 23.837 ( 11.801 0.000 -0.000) 11.801 24.044 ( 13.553 0.000 -0.000) 13.553 25.012 ( -12.652 -0.000 0.000) 12.652 25.218 ( -5.348 -0.000 0.000) 5.348 25.402 ( 3.015 0.000 -0.000) 3.015 25.421 ( 2.703 0.000 -0.000) 2.703 26.056 ( -11.235 -0.000 0.000) 11.235 26.122 ( 2.846 0.000 -0.000) 2.846 26.329 ( 11.418 0.000 -0.000) 11.418 26.940 ( -17.120 -0.000 0.000) 17.120 29.661 ( 0.408 0.000 -0.000) 0.408 30.821 ( 1.600 0.000 -0.000) 1.600 31.560 ( -0.298 -0.000 0.000) 0.298 33.017 ( 0.837 0.000 -0.000) 0.837 33.097 ( -0.948 -0.000 0.000) 0.948 33.269 ( 1.227 0.000 -0.000) 1.227 33.627 ( -0.306 -0.000 0.000) 0.306 33.680 ( 0.198 0.000 -0.000) 0.198 33.815 ( 0.143 0.000 -0.000) 0.143 33.873 ( -0.517 -0.000 0.000) 0.517 33.923 ( 5.650 0.000 -0.000) 5.650 34.100 ( 0.532 0.000 -0.000) 0.532 ======================= Grid point 149 (68/69) ======================= q-point: ( 0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -0.000 0.000 -0.555) 0.555 2.427 ( 0.000 -0.000 31.073) 31.073 2.440 ( 0.000 -0.000 44.030) 44.030 2.826 ( 0.000 -0.000 15.939) 15.939 3.264 ( 0.000 -0.000 23.345) 23.345 3.304 ( 0.000 -0.000 17.563) 17.563 3.775 ( 0.000 -0.000 27.170) 27.170 3.825 ( -0.000 0.000 -10.136) 10.136 3.916 ( 0.000 -0.000 0.524) 0.524 4.115 ( 0.000 -0.000 8.375) 8.375 4.735 ( -0.000 0.000 -16.624) 16.624 4.861 ( 0.000 -0.000 4.594) 4.594 5.081 ( -0.000 0.000 -8.543) 8.543 5.652 ( -0.000 0.000 -24.535) 24.535 5.710 ( -0.000 0.000 -3.445) 3.445 5.976 ( 0.000 -0.000 6.054) 6.054 6.317 ( -0.000 0.000 -3.802) 3.802 6.317 ( 0.000 -0.000 2.005) 2.005 6.386 ( -0.000 0.000 -0.135) 0.135 6.397 ( -0.000 0.000 -8.978) 8.978 6.409 ( -0.000 0.000 -7.825) 7.825 6.862 ( 0.000 -0.000 12.957) 12.957 6.960 ( 0.000 -0.000 3.451) 3.451 7.075 ( -0.000 0.000 -0.350) 0.350 7.249 ( -0.000 0.000 -4.850) 4.850 7.259 ( -0.000 0.000 -16.026) 16.026 7.313 ( 0.000 -0.000 27.221) 27.221 7.474 ( 0.000 -0.000 7.890) 7.890 7.481 ( 0.000 -0.000 3.194) 3.194 7.660 ( 0.000 -0.000 3.117) 3.117 7.883 ( 0.000 -0.000 10.452) 10.452 7.960 ( 0.000 -0.000 6.695) 6.695 8.127 ( 0.000 -0.000 0.224) 0.224 8.257 ( 0.000 -0.000 4.606) 4.606 8.579 ( 0.000 -0.000 1.633) 1.633 8.712 ( 0.000 -0.000 19.283) 19.283 8.818 ( -0.000 0.000 -3.502) 3.502 9.310 ( 0.000 -0.000 0.054) 0.054 9.572 ( 0.000 -0.000 5.316) 5.316 9.615 ( -0.000 0.000 -4.418) 4.418 9.679 ( 0.000 -0.000 1.464) 1.464 9.996 ( 0.000 -0.000 4.331) 4.331 10.104 ( -0.000 0.000 -3.459) 3.459 10.353 ( -0.000 0.000 -4.512) 4.512 11.221 ( 0.000 -0.000 0.375) 0.375 11.345 ( -0.000 0.000 -0.887) 0.887 11.557 ( 0.000 -0.000 1.101) 1.101 11.673 ( 0.000 -0.000 5.234) 5.234 11.875 ( -0.000 0.000 -0.779) 0.779 12.138 ( -0.000 0.000 -0.289) 0.289 12.233 ( -0.000 0.000 -8.176) 8.176 12.445 ( -0.000 0.000 -10.162) 10.162 12.518 ( -0.000 0.000 -1.279) 1.279 12.897 ( -0.000 0.000 -3.527) 3.527 13.233 ( 0.000 -0.000 2.968) 2.968 13.349 ( -0.000 0.000 -4.942) 4.942 13.507 ( -0.000 0.000 -0.537) 0.537 13.557 ( -0.000 0.000 -9.456) 9.456 13.668 ( -0.000 0.000 -3.053) 3.053 13.871 ( -0.000 0.000 -5.352) 5.352 14.708 ( -0.000 0.000 -1.543) 1.543 14.732 ( -0.000 0.000 -0.539) 0.539 14.962 ( -0.000 0.000 -3.882) 3.882 15.404 ( 0.000 -0.000 4.060) 4.060 15.548 ( -0.000 0.000 -7.678) 7.678 15.953 ( -0.000 0.000 -1.754) 1.754 16.063 ( 0.000 -0.000 11.412) 11.412 16.064 ( -0.000 0.000 -1.810) 1.810 16.389 ( 0.000 -0.000 5.761) 5.761 16.454 ( 0.000 -0.000 8.302) 8.302 16.596 ( 0.000 -0.000 0.376) 0.376 16.610 ( 0.000 -0.000 2.413) 2.413 17.366 ( -0.000 0.000 -0.103) 0.103 17.383 ( 0.000 -0.000 0.766) 0.766 17.519 ( 0.000 -0.000 3.604) 3.604 17.755 ( 0.000 -0.000 4.208) 4.208 18.273 ( -0.000 0.000 -2.913) 2.913 18.400 ( -0.000 0.000 -6.875) 6.875 18.977 ( 0.000 -0.000 7.142) 7.142 19.082 ( 0.000 -0.000 0.481) 0.481 19.128 ( 0.000 -0.000 5.287) 5.287 19.500 ( 0.000 -0.000 1.196) 1.196 19.981 ( -0.000 0.000 -3.528) 3.528 20.420 ( -0.000 0.000 -2.857) 2.857 23.156 ( 0.000 -0.000 2.270) 2.270 23.415 ( 0.000 -0.000 5.672) 5.672 23.910 ( -0.000 0.000 -6.021) 6.021 24.158 ( -0.000 0.000 -4.645) 4.645 24.912 ( 0.000 -0.000 5.283) 5.283 25.197 ( 0.000 -0.000 4.703) 4.703 25.430 ( -0.000 0.000 -0.152) 0.152 25.434 ( -0.000 0.000 -1.348) 1.348 25.929 ( -0.000 0.000 -0.810) 0.810 26.150 ( -0.000 0.000 -0.079) 0.079 26.515 ( -0.000 0.000 -2.334) 2.334 26.602 ( -0.000 0.000 -7.020) 7.020 29.663 ( -0.000 0.000 -0.117) 0.117 30.840 ( 0.000 -0.000 0.170) 0.170 31.557 ( 0.000 -0.000 0.024) 0.024 32.752 ( -0.000 0.000 -18.572) 18.572 32.767 ( -0.000 0.000 -21.711) 21.711 32.840 ( -0.000 0.000 -27.798) 27.798 33.114 ( -0.000 0.000 -31.326) 31.326 33.869 ( -0.000 0.000 -2.093) 2.093 34.179 ( 0.000 -0.000 30.822) 30.822 34.328 ( 0.000 -0.000 34.816) 34.816 34.360 ( 0.000 -0.000 37.987) 37.987 34.668 ( 0.000 -0.000 36.609) 36.609 ======================= Grid point 168 (69/69) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.000 0.000 0.000) 0.000 2.010 ( -0.000 0.000 0.000) 0.000 2.450 ( -0.000 0.000 0.000) 0.000 2.602 ( -0.000 0.000 0.000) 0.000 2.988 ( -0.000 0.000 0.000) 0.000 3.152 ( 0.000 -0.000 -0.000) 0.000 3.483 ( -0.000 0.000 0.000) 0.000 3.914 ( 0.000 -0.000 -0.000) 0.000 3.944 ( -0.000 0.000 0.000) 0.000 4.024 ( -0.000 0.000 0.000) 0.000 4.819 ( -0.000 0.000 0.000) 0.000 4.918 ( -0.000 0.000 0.000) 0.000 5.181 ( 0.000 -0.000 -0.000) 0.000 5.732 ( -0.000 0.000 0.000) 0.000 5.890 ( -0.000 0.000 0.000) 0.000 6.009 ( -0.000 0.000 0.000) 0.000 6.183 ( -0.000 0.000 0.000) 0.000 6.383 ( 0.000 -0.000 -0.000) 0.000 6.388 ( -0.000 0.000 0.000) 0.000 6.576 ( -0.000 0.000 0.000) 0.000 6.638 ( -0.000 0.000 0.000) 0.000 6.698 ( -0.000 0.000 0.000) 0.000 6.808 ( -0.000 0.000 0.000) 0.000 6.902 ( -0.000 0.000 0.000) 0.000 7.119 ( -0.000 0.000 0.000) 0.000 7.302 ( -0.000 0.000 0.000) 0.000 7.330 ( -0.000 0.000 0.000) 0.000 7.422 ( -0.000 0.000 0.000) 0.000 7.484 ( 0.000 -0.000 -0.000) 0.000 7.627 ( 0.000 -0.000 -0.000) 0.000 7.877 ( -0.000 0.000 0.000) 0.000 7.894 ( -0.000 0.000 0.000) 0.000 8.128 ( -0.000 0.000 0.000) 0.000 8.215 ( 0.000 -0.000 -0.000) 0.000 8.441 ( -0.000 0.000 0.000) 0.000 8.559 ( -0.000 0.000 0.000) 0.000 8.862 ( -0.000 0.000 0.000) 0.000 9.313 ( -0.000 0.000 0.000) 0.000 9.516 ( -0.000 0.000 0.000) 0.000 9.663 ( -0.000 0.000 0.000) 0.000 9.665 ( -0.000 0.000 0.000) 0.000 9.947 ( -0.000 0.000 0.000) 0.000 10.140 ( -0.000 0.000 0.000) 0.000 10.399 ( -0.000 0.000 0.000) 0.000 11.216 ( 0.000 -0.000 -0.000) 0.000 11.355 ( -0.000 0.000 0.000) 0.000 11.548 ( 0.000 -0.000 -0.000) 0.000 11.617 ( -0.000 0.000 0.000) 0.000 11.881 ( -0.000 0.000 0.000) 0.000 12.137 ( -0.000 0.000 0.000) 0.000 12.312 ( -0.000 0.000 0.000) 0.000 12.532 ( -0.000 0.000 0.000) 0.000 12.553 ( -0.000 0.000 0.000) 0.000 12.933 ( -0.000 0.000 0.000) 0.000 13.203 ( -0.000 0.000 0.000) 0.000 13.402 ( -0.000 0.000 0.000) 0.000 13.505 ( -0.000 0.000 0.000) 0.000 13.648 ( -0.000 0.000 0.000) 0.000 13.698 ( -0.000 0.000 0.000) 0.000 13.928 ( -0.000 0.000 0.000) 0.000 14.728 ( -0.000 0.000 0.000) 0.000 14.739 ( -0.000 0.000 0.000) 0.000 15.022 ( -0.000 0.000 0.000) 0.000 15.361 ( -0.000 0.000 0.000) 0.000 15.712 ( -0.000 0.000 0.000) 0.000 15.868 ( -0.000 0.000 0.000) 0.000 15.970 ( -0.000 0.000 0.000) 0.000 16.097 ( -0.000 0.000 0.000) 0.000 16.306 ( -0.000 0.000 0.000) 0.000 16.351 ( -0.000 0.000 0.000) 0.000 16.588 ( -0.000 0.000 0.000) 0.000 16.591 ( -0.000 0.000 0.000) 0.000 17.367 ( -0.000 0.000 0.000) 0.000 17.379 ( -0.000 0.000 0.000) 0.000 17.485 ( -0.000 0.000 0.000) 0.000 17.710 ( -0.000 0.000 0.000) 0.000 18.304 ( -0.000 0.000 0.000) 0.000 18.483 ( -0.000 0.000 0.000) 0.000 18.884 ( -0.000 0.000 0.000) 0.000 19.071 ( -0.000 0.000 0.000) 0.000 19.082 ( -0.000 0.000 0.000) 0.000 19.488 ( -0.000 0.000 0.000) 0.000 20.020 ( -0.000 0.000 0.000) 0.000 20.448 ( -0.000 0.000 0.000) 0.000 23.135 ( -0.000 0.000 0.000) 0.000 23.357 ( -0.000 0.000 0.000) 0.000 23.973 ( -0.000 0.000 0.000) 0.000 24.207 ( -0.000 0.000 0.000) 0.000 24.855 ( -0.000 0.000 0.000) 0.000 25.146 ( -0.000 0.000 0.000) 0.000 25.431 ( -0.000 0.000 0.000) 0.000 25.447 ( -0.000 0.000 0.000) 0.000 25.937 ( -0.000 0.000 0.000) 0.000 26.151 ( -0.000 0.000 0.000) 0.000 26.539 ( -0.000 0.000 0.000) 0.000 26.676 ( -0.000 0.000 0.000) 0.000 29.665 ( -0.000 0.000 0.000) 0.000 30.837 ( -0.000 0.000 0.000) 0.000 31.557 ( -0.000 0.000 0.000) 0.000 33.025 ( -0.000 0.000 0.000) 0.000 33.088 ( -0.000 0.000 0.000) 0.000 33.282 ( -0.000 0.000 0.000) 0.000 33.624 ( -0.000 0.000 0.000) 0.000 33.682 ( -0.000 0.000 0.000) 0.000 33.815 ( -0.000 0.000 0.000) 0.000 33.868 ( 0.000 -0.000 -0.000) 0.000 33.985 ( -0.000 0.000 0.000) 0.000 34.105 ( -0.000 0.000 0.000) 0.000 =================== 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 3/34560 10.0 14377.128 6502.306 7673.597 0.000 -0.000 0.000 3/34560 20.0 1802.575 1544.402 1672.900 0.000 -0.000 0.000 3/34560 30.0 562.505 622.777 727.311 0.000 -0.000 0.000 3/34560 40.0 275.171 339.063 407.139 0.000 -0.000 0.000 3/34560 50.0 164.706 215.475 259.749 0.000 -0.000 0.000 3/34560 60.0 110.770 150.672 180.978 0.000 0.000 0.000 3/34560 70.0 80.484 112.501 134.424 0.000 0.000 0.000 3/34560 80.0 61.777 88.059 104.695 0.000 0.000 0.000 3/34560 90.0 49.385 71.399 84.526 0.000 0.000 0.000 3/34560 100.0 40.724 59.491 70.178 0.000 0.000 0.000 3/34560 110.0 34.412 50.656 59.579 0.000 0.000 0.000 3/34560 120.0 29.655 43.901 51.507 0.000 0.000 0.000 3/34560 130.0 25.969 38.607 45.204 0.000 0.000 0.000 3/34560 140.0 23.047 34.371 40.175 0.000 0.000 0.000 3/34560 150.0 20.684 30.921 36.091 0.000 0.000 0.000 3/34560 160.0 18.742 28.068 32.722 0.000 0.000 0.000 3/34560 170.0 17.122 25.676 29.905 0.000 0.000 0.000 3/34560 180.0 15.753 23.649 27.522 0.000 0.000 0.000 3/34560 190.0 14.583 21.912 25.484 0.000 0.000 0.000 3/34560 200.0 13.574 20.409 23.726 0.000 0.000 0.000 3/34560 210.0 12.695 19.100 22.196 0.000 0.000 0.000 3/34560 220.0 11.924 17.949 20.855 0.000 0.000 0.000 3/34560 230.0 11.241 16.932 19.671 0.000 0.000 0.000 3/34560 240.0 10.634 16.027 18.621 0.000 0.000 0.000 3/34560 250.0 10.090 15.217 17.683 0.000 0.000 0.000 3/34560 260.0 9.601 14.489 16.842 0.000 0.000 0.000 3/34560 270.0 9.158 13.830 16.083 0.000 0.000 0.000 3/34560 280.0 8.755 13.233 15.396 0.000 0.000 0.000 3/34560 290.0 8.388 12.688 14.771 0.000 0.000 0.000 3/34560 300.0 8.051 12.190 14.201 0.000 0.000 0.000 3/34560 310.0 7.741 11.732 13.679 0.000 0.000 0.000 3/34560 320.0 7.454 11.310 13.199 0.000 0.000 0.000 3/34560 330.0 7.190 10.920 12.756 0.000 0.000 0.000 3/34560 340.0 6.944 10.558 12.346 0.000 0.000 0.000 3/34560 350.0 6.715 10.221 11.965 0.000 0.000 0.000 3/34560 360.0 6.501 9.908 11.611 0.000 0.000 0.000 3/34560 370.0 6.301 9.614 11.281 0.000 0.000 0.000 3/34560 380.0 6.113 9.340 10.972 0.000 0.000 0.000 3/34560 390.0 5.937 9.081 10.682 0.000 0.000 0.000 3/34560 400.0 5.771 8.838 10.409 0.000 0.000 0.000 3/34560 410.0 5.614 8.609 10.152 0.000 0.000 0.000 3/34560 420.0 5.466 8.393 9.910 0.000 0.000 0.000 3/34560 430.0 5.326 8.188 9.681 0.000 0.000 0.000 3/34560 440.0 5.193 7.994 9.463 0.000 0.000 0.000 3/34560 450.0 5.067 7.809 9.257 0.000 0.000 0.000 3/34560 460.0 4.947 7.634 9.061 0.000 0.000 0.000 3/34560 470.0 4.833 7.467 8.874 0.000 0.000 0.000 3/34560 480.0 4.724 7.307 8.696 0.000 0.000 0.000 3/34560 490.0 4.620 7.155 8.525 0.000 0.000 0.000 3/34560 500.0 4.521 7.009 8.363 0.000 0.000 0.000 3/34560 510.0 4.426 6.870 8.206 0.000 0.000 0.000 3/34560 520.0 4.335 6.736 8.057 0.000 0.000 0.000 3/34560 530.0 4.248 6.608 7.913 0.000 0.000 0.000 3/34560 540.0 4.165 6.485 7.775 0.000 0.000 0.000 3/34560 550.0 4.084 6.367 7.642 0.000 0.000 0.000 3/34560 560.0 4.007 6.253 7.514 0.000 0.000 0.000 3/34560 570.0 3.933 6.143 7.390 0.000 0.000 0.000 3/34560 580.0 3.862 6.038 7.271 0.000 0.000 0.000 3/34560 590.0 3.793 5.936 7.156 0.000 0.000 0.000 3/34560 600.0 3.726 5.837 7.045 0.000 0.000 0.000 3/34560 610.0 3.662 5.742 6.938 0.000 0.000 0.000 3/34560 620.0 3.601 5.650 6.834 0.000 0.000 0.000 3/34560 630.0 3.541 5.562 6.733 0.000 0.000 0.000 3/34560 640.0 3.483 5.476 6.635 0.000 0.000 0.000 3/34560 650.0 3.428 5.392 6.540 0.000 0.000 0.000 3/34560 660.0 3.374 5.312 6.448 0.000 0.000 0.000 3/34560 670.0 3.321 5.233 6.359 0.000 0.000 0.000 3/34560 680.0 3.271 5.157 6.272 0.000 0.000 0.000 3/34560 690.0 3.222 5.084 6.188 0.000 0.000 0.000 3/34560 700.0 3.174 5.012 6.106 0.000 0.000 0.000 3/34560 710.0 3.128 4.943 6.026 0.000 0.000 0.000 3/34560 720.0 3.083 4.875 5.949 0.000 0.000 0.000 3/34560 730.0 3.039 4.810 5.873 0.000 0.000 0.000 3/34560 740.0 2.997 4.746 5.799 0.000 0.000 0.000 3/34560 750.0 2.956 4.683 5.728 0.000 0.000 0.000 3/34560 760.0 2.916 4.623 5.658 0.000 0.000 0.000 3/34560 770.0 2.877 4.564 5.589 0.000 0.000 0.000 3/34560 780.0 2.839 4.506 5.523 0.000 0.000 0.000 3/34560 790.0 2.802 4.450 5.458 0.000 0.000 0.000 3/34560 800.0 2.766 4.396 5.394 0.000 0.000 0.000 3/34560 810.0 2.731 4.343 5.332 0.000 0.000 0.000 3/34560 820.0 2.697 4.291 5.272 0.000 0.000 0.000 3/34560 830.0 2.664 4.240 5.212 0.000 0.000 0.000 3/34560 840.0 2.631 4.190 5.154 0.000 0.000 0.000 3/34560 850.0 2.600 4.142 5.098 0.000 0.000 0.000 3/34560 860.0 2.569 4.095 5.042 0.000 0.000 0.000 3/34560 870.0 2.539 4.049 4.988 0.000 0.000 0.000 3/34560 880.0 2.509 4.003 4.935 0.000 0.000 0.000 3/34560 890.0 2.480 3.959 4.883 0.000 0.000 0.000 3/34560 900.0 2.452 3.916 4.833 0.000 0.000 0.000 3/34560 910.0 2.425 3.874 4.783 0.000 0.000 0.000 3/34560 920.0 2.398 3.833 4.734 0.000 0.000 0.000 3/34560 930.0 2.372 3.792 4.686 0.000 0.000 0.000 3/34560 940.0 2.346 3.752 4.639 0.000 0.000 0.000 3/34560 950.0 2.321 3.714 4.593 0.000 0.000 0.000 3/34560 960.0 2.296 3.676 4.548 0.000 0.000 0.000 3/34560 970.0 2.272 3.639 4.504 0.000 0.000 0.000 3/34560 980.0 2.249 3.602 4.461 0.000 0.000 0.000 3/34560 990.0 2.226 3.566 4.419 0.000 0.000 0.000 3/34560 1000.0 2.203 3.531 4.377 0.000 0.000 0.000 3/34560 Thermal conductivity related properties were written into "kappa-m1480.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:53:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|