----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:07:04]------------------------- 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: [2 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.758459335647874 -4.112939345000001 0.000000000000000 b 5.758459335647874 4.112939345000001 0.000000000000000 c -3.637632108408055 0.000000000000000 11.323725707720209 Atomic positions (fractional): *1 K 0.90423404865510 0.56557339319837 0.32054712699296 39.098 2 K 0.43442660680163 0.09576595134491 0.17945287300704 39.098 3 K 0.09576595134491 0.43442660680163 0.67945287300704 39.098 4 K 0.56557339319837 0.90423404865510 0.82054712699296 39.098 *5 Se 0.67630315595095 0.32369684404905 0.75000000000000 78.960 6 Se 0.32369684404905 0.67630315595095 0.25000000000000 78.960 *7 Se 0.64478750746106 0.73734111070790 0.53759928599586 78.960 *8 Se 0.15379397114198 0.88026400262744 0.62313857804662 78.960 9 Se 0.26265888929210 0.35521249253894 0.96240071400414 78.960 10 Se 0.35521249253894 0.26265888929210 0.46240071400414 78.960 11 Se 0.73734111070790 0.64478750746106 0.03759928599586 78.960 12 Se 0.84620602885802 0.11973599737256 0.37686142195338 78.960 13 Se 0.88026400262744 0.15379397114198 0.12313857804662 78.960 14 Se 0.11973599737256 0.84620602885802 0.87686142195338 78.960 *15 Sn 0.05694429807770 0.75165573854498 0.05843026612070 118.710 16 Sn 0.75165573854498 0.05694429807770 0.55843026612070 118.710 17 Sn 0.94305570192230 0.24834426145502 0.94156973387930 118.710 18 Sn 0.24834426145502 0.94305570192230 0.44156973387930 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.516918671295748 0.000000000000000 0.000000000000000 b 0.000000000000000 8.225878690000002 0.000000000000000 c -3.637632108408055 0.000000000000000 11.323725707720209 Atomic positions (fractional): *1 K 0.23490372092673 0.33066967227164 0.32054712699296 39.098 > 1 2 K 0.76509627907327 0.33066967227164 0.17945287300704 39.098 > 2 3 K 0.76509627907327 0.66933032772836 0.67945287300704 39.098 > 3 4 K 0.23490372092673 0.66933032772836 0.82054712699296 39.098 > 4 5 K 0.73490372092673 0.83066967227164 0.32054712699296 39.098 > 1 6 K 0.26509627907327 0.83066967227164 0.17945287300704 39.098 > 2 7 K 0.26509627907327 0.16933032772836 0.67945287300704 39.098 > 3 8 K 0.73490372092673 0.16933032772836 0.82054712699296 39.098 > 4 *9 Se 0.00000000000000 0.32369684404905 0.75000000000000 78.960 > 5 10 Se 0.00000000000000 0.67630315595095 0.25000000000000 78.960 > 6 *11 Se 0.19106430908448 0.54627680162342 0.53759928599586 78.960 > 7 *12 Se 0.01702898688471 0.86323501574273 0.62313857804662 78.960 > 8 13 Se 0.80893569091552 0.54627680162342 0.96240071400414 78.960 > 9 14 Se 0.80893569091552 0.45372319837658 0.46240071400414 78.960 > 10 15 Se 0.19106430908448 0.45372319837658 0.03759928599586 78.960 > 11 16 Se 0.98297101311529 0.13676498425727 0.37686142195338 78.960 > 12 17 Se 0.01702898688471 0.13676498425727 0.12313857804662 78.960 > 13 18 Se 0.98297101311529 0.86323501574273 0.87686142195338 78.960 > 14 19 Se 0.50000000000000 0.82369684404905 0.75000000000000 78.960 > 5 20 Se 0.50000000000000 0.17630315595095 0.25000000000000 78.960 > 6 21 Se 0.69106430908448 0.04627680162342 0.53759928599586 78.960 > 7 22 Se 0.51702898688471 0.36323501574273 0.62313857804662 78.960 > 8 23 Se 0.30893569091552 0.04627680162342 0.96240071400414 78.960 > 9 24 Se 0.30893569091552 0.95372319837658 0.46240071400414 78.960 > 10 25 Se 0.69106430908448 0.95372319837658 0.03759928599586 78.960 > 11 26 Se 0.48297101311529 0.63676498425727 0.37686142195338 78.960 > 12 27 Se 0.51702898688471 0.63676498425727 0.12313857804662 78.960 > 13 28 Se 0.48297101311529 0.36323501574273 0.87686142195338 78.960 > 14 *29 Sn 0.90430001831134 0.84735572023364 0.05843026612070 118.710 > 15 30 Sn 0.90430001831134 0.15264427976636 0.55843026612070 118.710 > 16 31 Sn 0.09569998168866 0.15264427976636 0.94156973387930 118.710 > 17 32 Sn 0.09569998168866 0.84735572023364 0.44156973387930 118.710 > 18 33 Sn 0.40430001831134 0.34735572023364 0.05843026612070 118.710 > 15 34 Sn 0.40430001831134 0.65264427976636 0.55843026612070 118.710 > 16 35 Sn 0.59569998168866 0.65264427976636 0.94156973387930 118.710 > 17 36 Sn 0.59569998168866 0.34735572023364 0.44156973387930 118.710 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 23.033837342591497 0.000000000000000 0.000000000000000 b 0.000000000000000 16.451757380000004 0.000000000000000 c -3.637632108408055 0.000000000000000 11.323725707720209 Atomic positions (fractional): *1 K 0.11745186046337 0.16533483613582 0.32054712699296 39.098 > 1 2 K 0.61745186046337 0.16533483613582 0.32054712699296 39.098 > 1 3 K 0.11745186046337 0.66533483613582 0.32054712699296 39.098 > 1 4 K 0.61745186046337 0.66533483613582 0.32054712699296 39.098 > 1 5 K 0.38254813953663 0.16533483613582 0.17945287300704 39.098 > 2 6 K 0.88254813953663 0.16533483613582 0.17945287300704 39.098 > 2 7 K 0.38254813953663 0.66533483613582 0.17945287300704 39.098 > 2 8 K 0.88254813953663 0.66533483613582 0.17945287300704 39.098 > 2 9 K 0.38254813953663 0.33466516386418 0.67945287300704 39.098 > 3 10 K 0.88254813953663 0.33466516386418 0.67945287300704 39.098 > 3 11 K 0.38254813953663 0.83466516386418 0.67945287300704 39.098 > 3 12 K 0.88254813953663 0.83466516386418 0.67945287300704 39.098 > 3 13 K 0.11745186046337 0.33466516386418 0.82054712699296 39.098 > 4 14 K 0.61745186046337 0.33466516386418 0.82054712699296 39.098 > 4 15 K 0.11745186046337 0.83466516386418 0.82054712699296 39.098 > 4 16 K 0.61745186046337 0.83466516386418 0.82054712699296 39.098 > 4 17 K 0.36745186046337 0.41533483613582 0.32054712699296 39.098 > 1 18 K 0.86745186046337 0.41533483613582 0.32054712699296 39.098 > 1 19 K 0.36745186046337 0.91533483613582 0.32054712699296 39.098 > 1 20 K 0.86745186046337 0.91533483613582 0.32054712699296 39.098 > 1 21 K 0.13254813953663 0.41533483613582 0.17945287300704 39.098 > 2 22 K 0.63254813953663 0.41533483613582 0.17945287300704 39.098 > 2 23 K 0.13254813953663 0.91533483613582 0.17945287300704 39.098 > 2 24 K 0.63254813953663 0.91533483613582 0.17945287300704 39.098 > 2 25 K 0.13254813953663 0.08466516386418 0.67945287300704 39.098 > 3 26 K 0.63254813953663 0.08466516386418 0.67945287300704 39.098 > 3 27 K 0.13254813953663 0.58466516386418 0.67945287300704 39.098 > 3 28 K 0.63254813953663 0.58466516386418 0.67945287300704 39.098 > 3 29 K 0.36745186046337 0.08466516386418 0.82054712699296 39.098 > 4 30 K 0.86745186046337 0.08466516386418 0.82054712699296 39.098 > 4 31 K 0.36745186046337 0.58466516386418 0.82054712699296 39.098 > 4 32 K 0.86745186046337 0.58466516386418 0.82054712699296 39.098 > 4 *33 Se 0.00000000000000 0.16184842202452 0.75000000000000 78.960 > 5 34 Se 0.50000000000000 0.16184842202452 0.75000000000000 78.960 > 5 35 Se 0.00000000000000 0.66184842202452 0.75000000000000 78.960 > 5 36 Se 0.50000000000000 0.66184842202452 0.75000000000000 78.960 > 5 37 Se 0.00000000000000 0.33815157797548 0.25000000000000 78.960 > 6 38 Se 0.50000000000000 0.33815157797548 0.25000000000000 78.960 > 6 39 Se 0.00000000000000 0.83815157797548 0.25000000000000 78.960 > 6 40 Se 0.50000000000000 0.83815157797548 0.25000000000000 78.960 > 6 *41 Se 0.09553215454224 0.27313840081171 0.53759928599586 78.960 > 7 42 Se 0.59553215454224 0.27313840081171 0.53759928599586 78.960 > 7 43 Se 0.09553215454224 0.77313840081171 0.53759928599586 78.960 > 7 44 Se 0.59553215454224 0.77313840081171 0.53759928599586 78.960 > 7 *45 Se 0.00851449344236 0.43161750787136 0.62313857804662 78.960 > 8 46 Se 0.50851449344236 0.43161750787136 0.62313857804662 78.960 > 8 47 Se 0.00851449344236 0.93161750787136 0.62313857804662 78.960 > 8 48 Se 0.50851449344236 0.93161750787136 0.62313857804662 78.960 > 8 49 Se 0.40446784545776 0.27313840081171 0.96240071400414 78.960 > 9 50 Se 0.90446784545776 0.27313840081171 0.96240071400414 78.960 > 9 51 Se 0.40446784545776 0.77313840081171 0.96240071400414 78.960 > 9 52 Se 0.90446784545776 0.77313840081171 0.96240071400414 78.960 > 9 53 Se 0.40446784545776 0.22686159918829 0.46240071400414 78.960 > 10 54 Se 0.90446784545776 0.22686159918829 0.46240071400414 78.960 > 10 55 Se 0.40446784545776 0.72686159918829 0.46240071400414 78.960 > 10 56 Se 0.90446784545776 0.72686159918829 0.46240071400414 78.960 > 10 57 Se 0.09553215454224 0.22686159918829 0.03759928599586 78.960 > 11 58 Se 0.59553215454224 0.22686159918829 0.03759928599586 78.960 > 11 59 Se 0.09553215454224 0.72686159918829 0.03759928599586 78.960 > 11 60 Se 0.59553215454224 0.72686159918829 0.03759928599586 78.960 > 11 61 Se 0.49148550655764 0.06838249212864 0.37686142195338 78.960 > 12 62 Se 0.99148550655764 0.06838249212864 0.37686142195338 78.960 > 12 63 Se 0.49148550655764 0.56838249212864 0.37686142195338 78.960 > 12 64 Se 0.99148550655764 0.56838249212864 0.37686142195338 78.960 > 12 65 Se 0.00851449344236 0.06838249212864 0.12313857804662 78.960 > 13 66 Se 0.50851449344236 0.06838249212864 0.12313857804662 78.960 > 13 67 Se 0.00851449344236 0.56838249212864 0.12313857804662 78.960 > 13 68 Se 0.50851449344236 0.56838249212864 0.12313857804662 78.960 > 13 69 Se 0.49148550655764 0.43161750787136 0.87686142195338 78.960 > 14 70 Se 0.99148550655764 0.43161750787136 0.87686142195338 78.960 > 14 71 Se 0.49148550655764 0.93161750787136 0.87686142195338 78.960 > 14 72 Se 0.99148550655764 0.93161750787136 0.87686142195338 78.960 > 14 73 Se 0.25000000000000 0.41184842202452 0.75000000000000 78.960 > 5 74 Se 0.75000000000000 0.41184842202452 0.75000000000000 78.960 > 5 75 Se 0.25000000000000 0.91184842202452 0.75000000000000 78.960 > 5 76 Se 0.75000000000000 0.91184842202452 0.75000000000000 78.960 > 5 77 Se 0.25000000000000 0.08815157797548 0.25000000000000 78.960 > 6 78 Se 0.75000000000000 0.08815157797548 0.25000000000000 78.960 > 6 79 Se 0.25000000000000 0.58815157797548 0.25000000000000 78.960 > 6 80 Se 0.75000000000000 0.58815157797548 0.25000000000000 78.960 > 6 81 Se 0.34553215454224 0.02313840081171 0.53759928599586 78.960 > 7 82 Se 0.84553215454224 0.02313840081171 0.53759928599586 78.960 > 7 83 Se 0.34553215454224 0.52313840081171 0.53759928599586 78.960 > 7 84 Se 0.84553215454224 0.52313840081171 0.53759928599586 78.960 > 7 85 Se 0.25851449344236 0.18161750787136 0.62313857804662 78.960 > 8 86 Se 0.75851449344236 0.18161750787136 0.62313857804662 78.960 > 8 87 Se 0.25851449344236 0.68161750787136 0.62313857804662 78.960 > 8 88 Se 0.75851449344236 0.68161750787136 0.62313857804662 78.960 > 8 89 Se 0.15446784545776 0.02313840081171 0.96240071400414 78.960 > 9 90 Se 0.65446784545776 0.02313840081171 0.96240071400414 78.960 > 9 91 Se 0.15446784545776 0.52313840081171 0.96240071400414 78.960 > 9 92 Se 0.65446784545776 0.52313840081171 0.96240071400414 78.960 > 9 93 Se 0.15446784545776 0.47686159918829 0.46240071400414 78.960 > 10 94 Se 0.65446784545776 0.47686159918829 0.46240071400414 78.960 > 10 95 Se 0.15446784545776 0.97686159918829 0.46240071400414 78.960 > 10 96 Se 0.65446784545776 0.97686159918829 0.46240071400414 78.960 > 10 97 Se 0.34553215454224 0.47686159918829 0.03759928599586 78.960 > 11 98 Se 0.84553215454224 0.47686159918829 0.03759928599586 78.960 > 11 99 Se 0.34553215454224 0.97686159918829 0.03759928599586 78.960 > 11 100 Se 0.84553215454224 0.97686159918829 0.03759928599586 78.960 > 11 101 Se 0.24148550655764 0.31838249212864 0.37686142195338 78.960 > 12 102 Se 0.74148550655764 0.31838249212864 0.37686142195338 78.960 > 12 103 Se 0.24148550655764 0.81838249212864 0.37686142195338 78.960 > 12 104 Se 0.74148550655764 0.81838249212864 0.37686142195338 78.960 > 12 105 Se 0.25851449344236 0.31838249212864 0.12313857804662 78.960 > 13 106 Se 0.75851449344236 0.31838249212864 0.12313857804662 78.960 > 13 107 Se 0.25851449344236 0.81838249212864 0.12313857804662 78.960 > 13 108 Se 0.75851449344236 0.81838249212864 0.12313857804662 78.960 > 13 109 Se 0.24148550655764 0.18161750787136 0.87686142195338 78.960 > 14 110 Se 0.74148550655764 0.18161750787136 0.87686142195338 78.960 > 14 111 Se 0.24148550655764 0.68161750787136 0.87686142195338 78.960 > 14 112 Se 0.74148550655764 0.68161750787136 0.87686142195338 78.960 > 14 *113 Sn 0.45215000915567 0.42367786011682 0.05843026612070 118.710 > 15 114 Sn 0.95215000915567 0.42367786011682 0.05843026612070 118.710 > 15 115 Sn 0.45215000915567 0.92367786011682 0.05843026612070 118.710 > 15 116 Sn 0.95215000915567 0.92367786011682 0.05843026612070 118.710 > 15 117 Sn 0.45215000915567 0.07632213988318 0.55843026612070 118.710 > 16 118 Sn 0.95215000915567 0.07632213988318 0.55843026612070 118.710 > 16 119 Sn 0.45215000915567 0.57632213988318 0.55843026612070 118.710 > 16 120 Sn 0.95215000915567 0.57632213988318 0.55843026612070 118.710 > 16 121 Sn 0.04784999084433 0.07632213988318 0.94156973387930 118.710 > 17 122 Sn 0.54784999084433 0.07632213988318 0.94156973387930 118.710 > 17 123 Sn 0.04784999084433 0.57632213988318 0.94156973387930 118.710 > 17 124 Sn 0.54784999084433 0.57632213988318 0.94156973387930 118.710 > 17 125 Sn 0.04784999084433 0.42367786011682 0.44156973387930 118.710 > 18 126 Sn 0.54784999084433 0.42367786011682 0.44156973387930 118.710 > 18 127 Sn 0.04784999084433 0.92367786011682 0.44156973387930 118.710 > 18 128 Sn 0.54784999084433 0.92367786011682 0.44156973387930 118.710 > 18 129 Sn 0.20215000915567 0.17367786011682 0.05843026612070 118.710 > 15 130 Sn 0.70215000915567 0.17367786011682 0.05843026612070 118.710 > 15 131 Sn 0.20215000915567 0.67367786011682 0.05843026612070 118.710 > 15 132 Sn 0.70215000915567 0.67367786011682 0.05843026612070 118.710 > 15 133 Sn 0.20215000915567 0.32632213988318 0.55843026612070 118.710 > 16 134 Sn 0.70215000915567 0.32632213988318 0.55843026612070 118.710 > 16 135 Sn 0.20215000915567 0.82632213988318 0.55843026612070 118.710 > 16 136 Sn 0.70215000915567 0.82632213988318 0.55843026612070 118.710 > 16 137 Sn 0.29784999084433 0.32632213988318 0.94156973387930 118.710 > 17 138 Sn 0.79784999084433 0.32632213988318 0.94156973387930 118.710 > 17 139 Sn 0.29784999084433 0.82632213988318 0.94156973387930 118.710 > 17 140 Sn 0.79784999084433 0.82632213988318 0.94156973387930 118.710 > 17 141 Sn 0.29784999084433 0.17367786011682 0.44156973387930 118.710 > 18 142 Sn 0.79784999084433 0.17367786011682 0.44156973387930 118.710 > 18 143 Sn 0.29784999084433 0.67367786011682 0.44156973387930 118.710 > 18 144 Sn 0.79784999084433 0.67367786011682 0.44156973387930 118.710 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.8103530 0.0000000 -0.7962351 0.0000000 6.2047159 0.0000000 -0.7962485 0.0000000 9.6712061 -------------------------- Born effective charges -------------------------- 1 K 1.2399351 0.0746651 0.0233493 0.0731636 1.3382404 0.2102494 0.0325186 -0.0491193 1.3355488 2 K 1.2399351 -0.0746651 0.0233493 -0.0731636 1.3382404 -0.2102494 0.0325186 0.0491193 1.3355488 3 K 1.2399351 0.0746651 0.0233493 0.0731636 1.3382404 0.2102494 0.0325186 -0.0491193 1.3355488 4 K 1.2399351 -0.0746651 0.0233493 -0.0731636 1.3382404 -0.2102494 0.0325186 0.0491193 1.3355488 5 Se -1.1707414 0.0000000 -0.0422129 -0.0000000 -1.6254652 0.0000000 0.0453636 0.0000000 -2.3180501 6 Se -1.1707414 0.0000000 -0.0422129 -0.0000000 -1.6254652 0.0000000 0.0453636 0.0000000 -2.3180501 7 Se -2.5337578 0.6640343 -0.6151079 0.6870886 -1.8869766 0.3671884 -0.3700722 0.0344929 -1.6286552 8 Se -2.0276554 0.4932857 0.3267992 0.6142393 -1.7731490 0.1833537 0.2583154 -0.0633405 -1.8595209 9 Se -2.5337578 -0.6640343 -0.6151079 -0.6870886 -1.8869766 -0.3671884 -0.3700722 -0.0344929 -1.6286552 10 Se -2.5337578 0.6640343 -0.6151079 0.6870886 -1.8869766 0.3671884 -0.3700722 0.0344929 -1.6286552 11 Se -2.5337578 -0.6640343 -0.6151079 -0.6870886 -1.8869766 -0.3671884 -0.3700722 -0.0344929 -1.6286552 12 Se -2.0276554 0.4932857 0.3267992 0.6142393 -1.7731490 0.1833537 0.2583154 -0.0633405 -1.8595209 13 Se -2.0276554 -0.4932857 0.3267992 -0.6142393 -1.7731490 -0.1833537 0.2583154 0.0633405 -1.8595209 14 Se -2.0276554 -0.4932857 0.3267992 -0.6142393 -1.7731490 -0.1833537 0.2583154 0.0633405 -1.8595209 15 Sn 3.9068488 1.0751461 0.2860659 1.4010205 3.1346179 0.2412168 0.0565565 -0.7884582 3.3116524 16 Sn 3.9068488 -1.0751461 0.2860659 -1.4010205 3.1346179 -0.2412168 0.0565565 0.7884582 3.3116524 17 Sn 3.9068488 1.0751461 0.2860659 1.4010205 3.1346179 0.2412168 0.0565565 -0.7884582 3.3116524 18 Sn 3.9068488 -1.0751461 0.2860659 -1.4010205 3.1346179 -0.2412168 0.0565565 0.7884582 3.3116524 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 146 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3013), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 6), data: (652, 15) @ (15, 6) |-- (152, 146), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 560 - Time: 1.171 Solver_block: 200 / 560 - Time: 1.148 Solver_block: 300 / 560 - Time: 1.133 Solver_block: 400 / 560 - Time: 1.170 Solver_block: 500 / 560 - Time: 1.161 Solver_block: 560 / 560 - Time: 0.739 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.648 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 146 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3013), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 6), data: (652, 15) @ (15, 6) |-- (152, 146), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True Max drift after symmetrization by symfc projector: -0.00000000 (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 2026-01-07 23:07:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:07:42]------------------------- 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): [2 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.758459335647874 -4.112939345000001 0.000000000000000 b 5.758459335647874 4.112939345000001 0.000000000000000 c -3.637632108408055 0.000000000000000 11.323725707720209 Atomic positions (fractional): 1 K 0.90423404865510 0.56557339319837 0.32054712699296 39.098 2 K 0.43442660680163 0.09576595134491 0.17945287300704 39.098 3 K 0.09576595134491 0.43442660680163 0.67945287300704 39.098 4 K 0.56557339319837 0.90423404865510 0.82054712699296 39.098 5 Se 0.67630315595095 0.32369684404905 0.75000000000000 78.960 6 Se 0.32369684404905 0.67630315595095 0.25000000000000 78.960 7 Se 0.64478750746106 0.73734111070790 0.53759928599586 78.960 8 Se 0.15379397114198 0.88026400262744 0.62313857804662 78.960 9 Se 0.26265888929210 0.35521249253894 0.96240071400414 78.960 10 Se 0.35521249253894 0.26265888929210 0.46240071400414 78.960 11 Se 0.73734111070790 0.64478750746106 0.03759928599586 78.960 12 Se 0.84620602885802 0.11973599737256 0.37686142195338 78.960 13 Se 0.88026400262744 0.15379397114198 0.12313857804662 78.960 14 Se 0.11973599737256 0.84620602885802 0.87686142195338 78.960 15 Sn 0.05694429807770 0.75165573854498 0.05843026612070 118.710 16 Sn 0.75165573854498 0.05694429807770 0.55843026612070 118.710 17 Sn 0.94305570192230 0.24834426145502 0.94156973387930 118.710 18 Sn 0.24834426145502 0.94305570192230 0.44156973387930 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 23.033837342591497 0.000000000000000 0.000000000000000 b 0.000000000000000 16.451757380000004 0.000000000000000 c -3.637632108408055 0.000000000000000 11.323725707720209 Atomic positions (fractional): 1 K 0.11745186046337 0.16533483613582 0.32054712699296 39.098 > 1 2 K 0.61745186046337 0.16533483613582 0.32054712699296 39.098 > 1 3 K 0.11745186046337 0.66533483613582 0.32054712699296 39.098 > 1 4 K 0.61745186046337 0.66533483613582 0.32054712699296 39.098 > 1 5 K 0.38254813953663 0.16533483613582 0.17945287300704 39.098 > 5 6 K 0.88254813953663 0.16533483613582 0.17945287300704 39.098 > 5 7 K 0.38254813953663 0.66533483613582 0.17945287300704 39.098 > 5 8 K 0.88254813953663 0.66533483613582 0.17945287300704 39.098 > 5 9 K 0.38254813953663 0.33466516386418 0.67945287300704 39.098 > 9 10 K 0.88254813953663 0.33466516386418 0.67945287300704 39.098 > 9 11 K 0.38254813953663 0.83466516386418 0.67945287300704 39.098 > 9 12 K 0.88254813953663 0.83466516386418 0.67945287300704 39.098 > 9 13 K 0.11745186046337 0.33466516386418 0.82054712699296 39.098 > 13 14 K 0.61745186046337 0.33466516386418 0.82054712699296 39.098 > 13 15 K 0.11745186046337 0.83466516386418 0.82054712699296 39.098 > 13 16 K 0.61745186046337 0.83466516386418 0.82054712699296 39.098 > 13 17 K 0.36745186046337 0.41533483613582 0.32054712699296 39.098 > 1 18 K 0.86745186046337 0.41533483613582 0.32054712699296 39.098 > 1 19 K 0.36745186046337 0.91533483613582 0.32054712699296 39.098 > 1 20 K 0.86745186046337 0.91533483613582 0.32054712699296 39.098 > 1 21 K 0.13254813953663 0.41533483613582 0.17945287300704 39.098 > 5 22 K 0.63254813953663 0.41533483613582 0.17945287300704 39.098 > 5 23 K 0.13254813953663 0.91533483613582 0.17945287300704 39.098 > 5 24 K 0.63254813953663 0.91533483613582 0.17945287300704 39.098 > 5 25 K 0.13254813953663 0.08466516386418 0.67945287300704 39.098 > 9 26 K 0.63254813953663 0.08466516386418 0.67945287300704 39.098 > 9 27 K 0.13254813953663 0.58466516386418 0.67945287300704 39.098 > 9 28 K 0.63254813953663 0.58466516386418 0.67945287300704 39.098 > 9 29 K 0.36745186046337 0.08466516386418 0.82054712699296 39.098 > 13 30 K 0.86745186046337 0.08466516386418 0.82054712699296 39.098 > 13 31 K 0.36745186046337 0.58466516386418 0.82054712699296 39.098 > 13 32 K 0.86745186046337 0.58466516386418 0.82054712699296 39.098 > 13 33 Se 0.00000000000000 0.16184842202452 0.75000000000000 78.960 > 33 34 Se 0.50000000000000 0.16184842202452 0.75000000000000 78.960 > 33 35 Se 0.00000000000000 0.66184842202452 0.75000000000000 78.960 > 33 36 Se 0.50000000000000 0.66184842202452 0.75000000000000 78.960 > 33 37 Se 0.00000000000000 0.33815157797548 0.25000000000000 78.960 > 37 38 Se 0.50000000000000 0.33815157797548 0.25000000000000 78.960 > 37 39 Se 0.00000000000000 0.83815157797548 0.25000000000000 78.960 > 37 40 Se 0.50000000000000 0.83815157797548 0.25000000000000 78.960 > 37 41 Se 0.09553215454224 0.27313840081171 0.53759928599586 78.960 > 41 42 Se 0.59553215454224 0.27313840081171 0.53759928599586 78.960 > 41 43 Se 0.09553215454224 0.77313840081171 0.53759928599586 78.960 > 41 44 Se 0.59553215454224 0.77313840081171 0.53759928599586 78.960 > 41 45 Se 0.00851449344236 0.43161750787136 0.62313857804662 78.960 > 45 46 Se 0.50851449344236 0.43161750787136 0.62313857804662 78.960 > 45 47 Se 0.00851449344236 0.93161750787136 0.62313857804662 78.960 > 45 48 Se 0.50851449344236 0.93161750787136 0.62313857804662 78.960 > 45 49 Se 0.40446784545776 0.27313840081171 0.96240071400414 78.960 > 49 50 Se 0.90446784545776 0.27313840081171 0.96240071400414 78.960 > 49 51 Se 0.40446784545776 0.77313840081171 0.96240071400414 78.960 > 49 52 Se 0.90446784545776 0.77313840081171 0.96240071400414 78.960 > 49 53 Se 0.40446784545776 0.22686159918829 0.46240071400414 78.960 > 53 54 Se 0.90446784545776 0.22686159918829 0.46240071400414 78.960 > 53 55 Se 0.40446784545776 0.72686159918829 0.46240071400414 78.960 > 53 56 Se 0.90446784545776 0.72686159918829 0.46240071400414 78.960 > 53 57 Se 0.09553215454224 0.22686159918829 0.03759928599586 78.960 > 57 58 Se 0.59553215454224 0.22686159918829 0.03759928599586 78.960 > 57 59 Se 0.09553215454224 0.72686159918829 0.03759928599586 78.960 > 57 60 Se 0.59553215454224 0.72686159918829 0.03759928599586 78.960 > 57 61 Se 0.49148550655764 0.06838249212864 0.37686142195338 78.960 > 61 62 Se 0.99148550655764 0.06838249212864 0.37686142195338 78.960 > 61 63 Se 0.49148550655764 0.56838249212864 0.37686142195338 78.960 > 61 64 Se 0.99148550655764 0.56838249212864 0.37686142195338 78.960 > 61 65 Se 0.00851449344236 0.06838249212864 0.12313857804662 78.960 > 65 66 Se 0.50851449344236 0.06838249212864 0.12313857804662 78.960 > 65 67 Se 0.00851449344236 0.56838249212864 0.12313857804662 78.960 > 65 68 Se 0.50851449344236 0.56838249212864 0.12313857804662 78.960 > 65 69 Se 0.49148550655764 0.43161750787136 0.87686142195338 78.960 > 69 70 Se 0.99148550655764 0.43161750787136 0.87686142195338 78.960 > 69 71 Se 0.49148550655764 0.93161750787136 0.87686142195338 78.960 > 69 72 Se 0.99148550655764 0.93161750787136 0.87686142195338 78.960 > 69 73 Se 0.25000000000000 0.41184842202452 0.75000000000000 78.960 > 33 74 Se 0.75000000000000 0.41184842202452 0.75000000000000 78.960 > 33 75 Se 0.25000000000000 0.91184842202452 0.75000000000000 78.960 > 33 76 Se 0.75000000000000 0.91184842202452 0.75000000000000 78.960 > 33 77 Se 0.25000000000000 0.08815157797548 0.25000000000000 78.960 > 37 78 Se 0.75000000000000 0.08815157797548 0.25000000000000 78.960 > 37 79 Se 0.25000000000000 0.58815157797548 0.25000000000000 78.960 > 37 80 Se 0.75000000000000 0.58815157797548 0.25000000000000 78.960 > 37 81 Se 0.34553215454224 0.02313840081171 0.53759928599586 78.960 > 41 82 Se 0.84553215454224 0.02313840081171 0.53759928599586 78.960 > 41 83 Se 0.34553215454224 0.52313840081171 0.53759928599586 78.960 > 41 84 Se 0.84553215454224 0.52313840081171 0.53759928599586 78.960 > 41 85 Se 0.25851449344236 0.18161750787136 0.62313857804662 78.960 > 45 86 Se 0.75851449344236 0.18161750787136 0.62313857804662 78.960 > 45 87 Se 0.25851449344236 0.68161750787136 0.62313857804662 78.960 > 45 88 Se 0.75851449344236 0.68161750787136 0.62313857804662 78.960 > 45 89 Se 0.15446784545776 0.02313840081171 0.96240071400414 78.960 > 49 90 Se 0.65446784545776 0.02313840081171 0.96240071400414 78.960 > 49 91 Se 0.15446784545776 0.52313840081171 0.96240071400414 78.960 > 49 92 Se 0.65446784545776 0.52313840081171 0.96240071400414 78.960 > 49 93 Se 0.15446784545776 0.47686159918829 0.46240071400414 78.960 > 53 94 Se 0.65446784545776 0.47686159918829 0.46240071400414 78.960 > 53 95 Se 0.15446784545776 0.97686159918829 0.46240071400414 78.960 > 53 96 Se 0.65446784545776 0.97686159918829 0.46240071400414 78.960 > 53 97 Se 0.34553215454224 0.47686159918829 0.03759928599586 78.960 > 57 98 Se 0.84553215454224 0.47686159918829 0.03759928599586 78.960 > 57 99 Se 0.34553215454224 0.97686159918829 0.03759928599586 78.960 > 57 100 Se 0.84553215454224 0.97686159918829 0.03759928599586 78.960 > 57 101 Se 0.24148550655764 0.31838249212864 0.37686142195338 78.960 > 61 102 Se 0.74148550655764 0.31838249212864 0.37686142195338 78.960 > 61 103 Se 0.24148550655764 0.81838249212864 0.37686142195338 78.960 > 61 104 Se 0.74148550655764 0.81838249212864 0.37686142195338 78.960 > 61 105 Se 0.25851449344236 0.31838249212864 0.12313857804662 78.960 > 65 106 Se 0.75851449344236 0.31838249212864 0.12313857804662 78.960 > 65 107 Se 0.25851449344236 0.81838249212864 0.12313857804662 78.960 > 65 108 Se 0.75851449344236 0.81838249212864 0.12313857804662 78.960 > 65 109 Se 0.24148550655764 0.18161750787136 0.87686142195338 78.960 > 69 110 Se 0.74148550655764 0.18161750787136 0.87686142195338 78.960 > 69 111 Se 0.24148550655764 0.68161750787136 0.87686142195338 78.960 > 69 112 Se 0.74148550655764 0.68161750787136 0.87686142195338 78.960 > 69 113 Sn 0.45215000915567 0.42367786011682 0.05843026612070 118.710 > 113 114 Sn 0.95215000915567 0.42367786011682 0.05843026612070 118.710 > 113 115 Sn 0.45215000915567 0.92367786011682 0.05843026612070 118.710 > 113 116 Sn 0.95215000915567 0.92367786011682 0.05843026612070 118.710 > 113 117 Sn 0.45215000915567 0.07632213988318 0.55843026612070 118.710 > 117 118 Sn 0.95215000915567 0.07632213988318 0.55843026612070 118.710 > 117 119 Sn 0.45215000915567 0.57632213988318 0.55843026612070 118.710 > 117 120 Sn 0.95215000915567 0.57632213988318 0.55843026612070 118.710 > 117 121 Sn 0.04784999084433 0.07632213988318 0.94156973387930 118.710 > 121 122 Sn 0.54784999084433 0.07632213988318 0.94156973387930 118.710 > 121 123 Sn 0.04784999084433 0.57632213988318 0.94156973387930 118.710 > 121 124 Sn 0.54784999084433 0.57632213988318 0.94156973387930 118.710 > 121 125 Sn 0.04784999084433 0.42367786011682 0.44156973387930 118.710 > 125 126 Sn 0.54784999084433 0.42367786011682 0.44156973387930 118.710 > 125 127 Sn 0.04784999084433 0.92367786011682 0.44156973387930 118.710 > 125 128 Sn 0.54784999084433 0.92367786011682 0.44156973387930 118.710 > 125 129 Sn 0.20215000915567 0.17367786011682 0.05843026612070 118.710 > 113 130 Sn 0.70215000915567 0.17367786011682 0.05843026612070 118.710 > 113 131 Sn 0.20215000915567 0.67367786011682 0.05843026612070 118.710 > 113 132 Sn 0.70215000915567 0.67367786011682 0.05843026612070 118.710 > 113 133 Sn 0.20215000915567 0.32632213988318 0.55843026612070 118.710 > 117 134 Sn 0.70215000915567 0.32632213988318 0.55843026612070 118.710 > 117 135 Sn 0.20215000915567 0.82632213988318 0.55843026612070 118.710 > 117 136 Sn 0.70215000915567 0.82632213988318 0.55843026612070 118.710 > 117 137 Sn 0.29784999084433 0.32632213988318 0.94156973387930 118.710 > 121 138 Sn 0.79784999084433 0.32632213988318 0.94156973387930 118.710 > 121 139 Sn 0.29784999084433 0.82632213988318 0.94156973387930 118.710 > 121 140 Sn 0.79784999084433 0.82632213988318 0.94156973387930 118.710 > 121 141 Sn 0.29784999084433 0.17367786011682 0.44156973387930 118.710 > 125 142 Sn 0.79784999084433 0.17367786011682 0.44156973387930 118.710 > 125 143 Sn 0.29784999084433 0.67367786011682 0.44156973387930 118.710 > 125 144 Sn 0.79784999084433 0.67367786011682 0.44156973387930 118.710 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.8103530 0.0000000 -0.7962351 0.0000000 6.2047159 0.0000000 -0.7962485 0.0000000 9.6712061 -------------------------- Born effective charges -------------------------- 1 K 1.2399351 0.0746651 0.0233493 0.0731636 1.3382404 0.2102494 0.0325186 -0.0491193 1.3355488 2 K 1.2399351 -0.0746651 0.0233493 -0.0731636 1.3382404 -0.2102494 0.0325186 0.0491193 1.3355488 3 K 1.2399351 0.0746651 0.0233493 0.0731636 1.3382404 0.2102494 0.0325186 -0.0491193 1.3355488 4 K 1.2399351 -0.0746651 0.0233493 -0.0731636 1.3382404 -0.2102494 0.0325186 0.0491193 1.3355488 5 Se -1.1707414 0.0000000 -0.0422129 -0.0000000 -1.6254652 0.0000000 0.0453636 0.0000000 -2.3180501 6 Se -1.1707414 0.0000000 -0.0422129 -0.0000000 -1.6254652 0.0000000 0.0453636 0.0000000 -2.3180501 7 Se -2.5337578 0.6640343 -0.6151079 0.6870886 -1.8869766 0.3671884 -0.3700722 0.0344929 -1.6286552 8 Se -2.0276554 0.4932857 0.3267992 0.6142393 -1.7731490 0.1833537 0.2583154 -0.0633405 -1.8595209 9 Se -2.5337578 -0.6640343 -0.6151079 -0.6870886 -1.8869766 -0.3671884 -0.3700722 -0.0344929 -1.6286552 10 Se -2.5337578 0.6640343 -0.6151079 0.6870886 -1.8869766 0.3671884 -0.3700722 0.0344929 -1.6286552 11 Se -2.5337578 -0.6640343 -0.6151079 -0.6870886 -1.8869766 -0.3671884 -0.3700722 -0.0344929 -1.6286552 12 Se -2.0276554 0.4932857 0.3267992 0.6142393 -1.7731490 0.1833537 0.2583154 -0.0633405 -1.8595209 13 Se -2.0276554 -0.4932857 0.3267992 -0.6142393 -1.7731490 -0.1833537 0.2583154 0.0633405 -1.8595209 14 Se -2.0276554 -0.4932857 0.3267992 -0.6142393 -1.7731490 -0.1833537 0.2583154 0.0633405 -1.8595209 15 Sn 3.9068488 1.0751461 0.2860659 1.4010205 3.1346179 0.2412168 0.0565565 -0.7884582 3.3116524 16 Sn 3.9068488 -1.0751461 0.2860659 -1.4010205 3.1346179 -0.2412168 0.0565565 0.7884582 3.3116524 17 Sn 3.9068488 1.0751461 0.2860659 1.4010205 3.1346179 0.2412168 0.0565565 -0.7884582 3.3116524 18 Sn 3.9068488 -1.0751461 0.2860659 -1.4010205 3.1346179 -0.2412168 0.0565565 0.7884582 3.3116524 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 41, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 45, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (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 2026-01-07 23:08:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:08:14]------------------------- 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): [2 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.758459335647874 -4.112939345000001 0.000000000000000 b 5.758459335647874 4.112939345000001 0.000000000000000 c -3.637632108408055 0.000000000000000 11.323725707720209 Atomic positions (fractional): 1 K 0.90423404865510 0.56557339319837 0.32054712699296 39.098 2 K 0.43442660680163 0.09576595134491 0.17945287300704 39.098 3 K 0.09576595134491 0.43442660680163 0.67945287300704 39.098 4 K 0.56557339319837 0.90423404865510 0.82054712699296 39.098 5 Se 0.67630315595095 0.32369684404905 0.75000000000000 78.960 6 Se 0.32369684404905 0.67630315595095 0.25000000000000 78.960 7 Se 0.64478750746106 0.73734111070790 0.53759928599586 78.960 8 Se 0.15379397114198 0.88026400262744 0.62313857804662 78.960 9 Se 0.26265888929210 0.35521249253894 0.96240071400414 78.960 10 Se 0.35521249253894 0.26265888929210 0.46240071400414 78.960 11 Se 0.73734111070790 0.64478750746106 0.03759928599586 78.960 12 Se 0.84620602885802 0.11973599737256 0.37686142195338 78.960 13 Se 0.88026400262744 0.15379397114198 0.12313857804662 78.960 14 Se 0.11973599737256 0.84620602885802 0.87686142195338 78.960 15 Sn 0.05694429807770 0.75165573854498 0.05843026612070 118.710 16 Sn 0.75165573854498 0.05694429807770 0.55843026612070 118.710 17 Sn 0.94305570192230 0.24834426145502 0.94156973387930 118.710 18 Sn 0.24834426145502 0.94305570192230 0.44156973387930 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 23.033837342591497 0.000000000000000 0.000000000000000 b 0.000000000000000 16.451757380000004 0.000000000000000 c -3.637632108408055 0.000000000000000 11.323725707720209 Atomic positions (fractional): 1 K 0.11745186046337 0.16533483613582 0.32054712699296 39.098 > 1 2 K 0.61745186046337 0.16533483613582 0.32054712699296 39.098 > 1 3 K 0.11745186046337 0.66533483613582 0.32054712699296 39.098 > 1 4 K 0.61745186046337 0.66533483613582 0.32054712699296 39.098 > 1 5 K 0.38254813953663 0.16533483613582 0.17945287300704 39.098 > 5 6 K 0.88254813953663 0.16533483613582 0.17945287300704 39.098 > 5 7 K 0.38254813953663 0.66533483613582 0.17945287300704 39.098 > 5 8 K 0.88254813953663 0.66533483613582 0.17945287300704 39.098 > 5 9 K 0.38254813953663 0.33466516386418 0.67945287300704 39.098 > 9 10 K 0.88254813953663 0.33466516386418 0.67945287300704 39.098 > 9 11 K 0.38254813953663 0.83466516386418 0.67945287300704 39.098 > 9 12 K 0.88254813953663 0.83466516386418 0.67945287300704 39.098 > 9 13 K 0.11745186046337 0.33466516386418 0.82054712699296 39.098 > 13 14 K 0.61745186046337 0.33466516386418 0.82054712699296 39.098 > 13 15 K 0.11745186046337 0.83466516386418 0.82054712699296 39.098 > 13 16 K 0.61745186046337 0.83466516386418 0.82054712699296 39.098 > 13 17 K 0.36745186046337 0.41533483613582 0.32054712699296 39.098 > 1 18 K 0.86745186046337 0.41533483613582 0.32054712699296 39.098 > 1 19 K 0.36745186046337 0.91533483613582 0.32054712699296 39.098 > 1 20 K 0.86745186046337 0.91533483613582 0.32054712699296 39.098 > 1 21 K 0.13254813953663 0.41533483613582 0.17945287300704 39.098 > 5 22 K 0.63254813953663 0.41533483613582 0.17945287300704 39.098 > 5 23 K 0.13254813953663 0.91533483613582 0.17945287300704 39.098 > 5 24 K 0.63254813953663 0.91533483613582 0.17945287300704 39.098 > 5 25 K 0.13254813953663 0.08466516386418 0.67945287300704 39.098 > 9 26 K 0.63254813953663 0.08466516386418 0.67945287300704 39.098 > 9 27 K 0.13254813953663 0.58466516386418 0.67945287300704 39.098 > 9 28 K 0.63254813953663 0.58466516386418 0.67945287300704 39.098 > 9 29 K 0.36745186046337 0.08466516386418 0.82054712699296 39.098 > 13 30 K 0.86745186046337 0.08466516386418 0.82054712699296 39.098 > 13 31 K 0.36745186046337 0.58466516386418 0.82054712699296 39.098 > 13 32 K 0.86745186046337 0.58466516386418 0.82054712699296 39.098 > 13 33 Se 0.00000000000000 0.16184842202452 0.75000000000000 78.960 > 33 34 Se 0.50000000000000 0.16184842202452 0.75000000000000 78.960 > 33 35 Se 0.00000000000000 0.66184842202452 0.75000000000000 78.960 > 33 36 Se 0.50000000000000 0.66184842202452 0.75000000000000 78.960 > 33 37 Se 0.00000000000000 0.33815157797548 0.25000000000000 78.960 > 37 38 Se 0.50000000000000 0.33815157797548 0.25000000000000 78.960 > 37 39 Se 0.00000000000000 0.83815157797548 0.25000000000000 78.960 > 37 40 Se 0.50000000000000 0.83815157797548 0.25000000000000 78.960 > 37 41 Se 0.09553215454224 0.27313840081171 0.53759928599586 78.960 > 41 42 Se 0.59553215454224 0.27313840081171 0.53759928599586 78.960 > 41 43 Se 0.09553215454224 0.77313840081171 0.53759928599586 78.960 > 41 44 Se 0.59553215454224 0.77313840081171 0.53759928599586 78.960 > 41 45 Se 0.00851449344236 0.43161750787136 0.62313857804662 78.960 > 45 46 Se 0.50851449344236 0.43161750787136 0.62313857804662 78.960 > 45 47 Se 0.00851449344236 0.93161750787136 0.62313857804662 78.960 > 45 48 Se 0.50851449344236 0.93161750787136 0.62313857804662 78.960 > 45 49 Se 0.40446784545776 0.27313840081171 0.96240071400414 78.960 > 49 50 Se 0.90446784545776 0.27313840081171 0.96240071400414 78.960 > 49 51 Se 0.40446784545776 0.77313840081171 0.96240071400414 78.960 > 49 52 Se 0.90446784545776 0.77313840081171 0.96240071400414 78.960 > 49 53 Se 0.40446784545776 0.22686159918829 0.46240071400414 78.960 > 53 54 Se 0.90446784545776 0.22686159918829 0.46240071400414 78.960 > 53 55 Se 0.40446784545776 0.72686159918829 0.46240071400414 78.960 > 53 56 Se 0.90446784545776 0.72686159918829 0.46240071400414 78.960 > 53 57 Se 0.09553215454224 0.22686159918829 0.03759928599586 78.960 > 57 58 Se 0.59553215454224 0.22686159918829 0.03759928599586 78.960 > 57 59 Se 0.09553215454224 0.72686159918829 0.03759928599586 78.960 > 57 60 Se 0.59553215454224 0.72686159918829 0.03759928599586 78.960 > 57 61 Se 0.49148550655764 0.06838249212864 0.37686142195338 78.960 > 61 62 Se 0.99148550655764 0.06838249212864 0.37686142195338 78.960 > 61 63 Se 0.49148550655764 0.56838249212864 0.37686142195338 78.960 > 61 64 Se 0.99148550655764 0.56838249212864 0.37686142195338 78.960 > 61 65 Se 0.00851449344236 0.06838249212864 0.12313857804662 78.960 > 65 66 Se 0.50851449344236 0.06838249212864 0.12313857804662 78.960 > 65 67 Se 0.00851449344236 0.56838249212864 0.12313857804662 78.960 > 65 68 Se 0.50851449344236 0.56838249212864 0.12313857804662 78.960 > 65 69 Se 0.49148550655764 0.43161750787136 0.87686142195338 78.960 > 69 70 Se 0.99148550655764 0.43161750787136 0.87686142195338 78.960 > 69 71 Se 0.49148550655764 0.93161750787136 0.87686142195338 78.960 > 69 72 Se 0.99148550655764 0.93161750787136 0.87686142195338 78.960 > 69 73 Se 0.25000000000000 0.41184842202452 0.75000000000000 78.960 > 33 74 Se 0.75000000000000 0.41184842202452 0.75000000000000 78.960 > 33 75 Se 0.25000000000000 0.91184842202452 0.75000000000000 78.960 > 33 76 Se 0.75000000000000 0.91184842202452 0.75000000000000 78.960 > 33 77 Se 0.25000000000000 0.08815157797548 0.25000000000000 78.960 > 37 78 Se 0.75000000000000 0.08815157797548 0.25000000000000 78.960 > 37 79 Se 0.25000000000000 0.58815157797548 0.25000000000000 78.960 > 37 80 Se 0.75000000000000 0.58815157797548 0.25000000000000 78.960 > 37 81 Se 0.34553215454224 0.02313840081171 0.53759928599586 78.960 > 41 82 Se 0.84553215454224 0.02313840081171 0.53759928599586 78.960 > 41 83 Se 0.34553215454224 0.52313840081171 0.53759928599586 78.960 > 41 84 Se 0.84553215454224 0.52313840081171 0.53759928599586 78.960 > 41 85 Se 0.25851449344236 0.18161750787136 0.62313857804662 78.960 > 45 86 Se 0.75851449344236 0.18161750787136 0.62313857804662 78.960 > 45 87 Se 0.25851449344236 0.68161750787136 0.62313857804662 78.960 > 45 88 Se 0.75851449344236 0.68161750787136 0.62313857804662 78.960 > 45 89 Se 0.15446784545776 0.02313840081171 0.96240071400414 78.960 > 49 90 Se 0.65446784545776 0.02313840081171 0.96240071400414 78.960 > 49 91 Se 0.15446784545776 0.52313840081171 0.96240071400414 78.960 > 49 92 Se 0.65446784545776 0.52313840081171 0.96240071400414 78.960 > 49 93 Se 0.15446784545776 0.47686159918829 0.46240071400414 78.960 > 53 94 Se 0.65446784545776 0.47686159918829 0.46240071400414 78.960 > 53 95 Se 0.15446784545776 0.97686159918829 0.46240071400414 78.960 > 53 96 Se 0.65446784545776 0.97686159918829 0.46240071400414 78.960 > 53 97 Se 0.34553215454224 0.47686159918829 0.03759928599586 78.960 > 57 98 Se 0.84553215454224 0.47686159918829 0.03759928599586 78.960 > 57 99 Se 0.34553215454224 0.97686159918829 0.03759928599586 78.960 > 57 100 Se 0.84553215454224 0.97686159918829 0.03759928599586 78.960 > 57 101 Se 0.24148550655764 0.31838249212864 0.37686142195338 78.960 > 61 102 Se 0.74148550655764 0.31838249212864 0.37686142195338 78.960 > 61 103 Se 0.24148550655764 0.81838249212864 0.37686142195338 78.960 > 61 104 Se 0.74148550655764 0.81838249212864 0.37686142195338 78.960 > 61 105 Se 0.25851449344236 0.31838249212864 0.12313857804662 78.960 > 65 106 Se 0.75851449344236 0.31838249212864 0.12313857804662 78.960 > 65 107 Se 0.25851449344236 0.81838249212864 0.12313857804662 78.960 > 65 108 Se 0.75851449344236 0.81838249212864 0.12313857804662 78.960 > 65 109 Se 0.24148550655764 0.18161750787136 0.87686142195338 78.960 > 69 110 Se 0.74148550655764 0.18161750787136 0.87686142195338 78.960 > 69 111 Se 0.24148550655764 0.68161750787136 0.87686142195338 78.960 > 69 112 Se 0.74148550655764 0.68161750787136 0.87686142195338 78.960 > 69 113 Sn 0.45215000915567 0.42367786011682 0.05843026612070 118.710 > 113 114 Sn 0.95215000915567 0.42367786011682 0.05843026612070 118.710 > 113 115 Sn 0.45215000915567 0.92367786011682 0.05843026612070 118.710 > 113 116 Sn 0.95215000915567 0.92367786011682 0.05843026612070 118.710 > 113 117 Sn 0.45215000915567 0.07632213988318 0.55843026612070 118.710 > 117 118 Sn 0.95215000915567 0.07632213988318 0.55843026612070 118.710 > 117 119 Sn 0.45215000915567 0.57632213988318 0.55843026612070 118.710 > 117 120 Sn 0.95215000915567 0.57632213988318 0.55843026612070 118.710 > 117 121 Sn 0.04784999084433 0.07632213988318 0.94156973387930 118.710 > 121 122 Sn 0.54784999084433 0.07632213988318 0.94156973387930 118.710 > 121 123 Sn 0.04784999084433 0.57632213988318 0.94156973387930 118.710 > 121 124 Sn 0.54784999084433 0.57632213988318 0.94156973387930 118.710 > 121 125 Sn 0.04784999084433 0.42367786011682 0.44156973387930 118.710 > 125 126 Sn 0.54784999084433 0.42367786011682 0.44156973387930 118.710 > 125 127 Sn 0.04784999084433 0.92367786011682 0.44156973387930 118.710 > 125 128 Sn 0.54784999084433 0.92367786011682 0.44156973387930 118.710 > 125 129 Sn 0.20215000915567 0.17367786011682 0.05843026612070 118.710 > 113 130 Sn 0.70215000915567 0.17367786011682 0.05843026612070 118.710 > 113 131 Sn 0.20215000915567 0.67367786011682 0.05843026612070 118.710 > 113 132 Sn 0.70215000915567 0.67367786011682 0.05843026612070 118.710 > 113 133 Sn 0.20215000915567 0.32632213988318 0.55843026612070 118.710 > 117 134 Sn 0.70215000915567 0.32632213988318 0.55843026612070 118.710 > 117 135 Sn 0.20215000915567 0.82632213988318 0.55843026612070 118.710 > 117 136 Sn 0.70215000915567 0.82632213988318 0.55843026612070 118.710 > 117 137 Sn 0.29784999084433 0.32632213988318 0.94156973387930 118.710 > 121 138 Sn 0.79784999084433 0.32632213988318 0.94156973387930 118.710 > 121 139 Sn 0.29784999084433 0.82632213988318 0.94156973387930 118.710 > 121 140 Sn 0.79784999084433 0.82632213988318 0.94156973387930 118.710 > 121 141 Sn 0.29784999084433 0.17367786011682 0.44156973387930 118.710 > 125 142 Sn 0.79784999084433 0.17367786011682 0.44156973387930 118.710 > 125 143 Sn 0.29784999084433 0.67367786011682 0.44156973387930 118.710 > 125 144 Sn 0.79784999084433 0.67367786011682 0.44156973387930 118.710 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.8103530 0.0000000 -0.7962351 0.0000000 6.2047159 0.0000000 -0.7962485 0.0000000 9.6712061 -------------------------- Born effective charges -------------------------- 1 K 1.2399351 0.0746651 0.0233493 0.0731636 1.3382404 0.2102494 0.0325186 -0.0491193 1.3355488 2 K 1.2399351 -0.0746651 0.0233493 -0.0731636 1.3382404 -0.2102494 0.0325186 0.0491193 1.3355488 3 K 1.2399351 0.0746651 0.0233493 0.0731636 1.3382404 0.2102494 0.0325186 -0.0491193 1.3355488 4 K 1.2399351 -0.0746651 0.0233493 -0.0731636 1.3382404 -0.2102494 0.0325186 0.0491193 1.3355488 5 Se -1.1707414 0.0000000 -0.0422129 -0.0000000 -1.6254652 0.0000000 0.0453636 0.0000000 -2.3180501 6 Se -1.1707414 0.0000000 -0.0422129 -0.0000000 -1.6254652 0.0000000 0.0453636 0.0000000 -2.3180501 7 Se -2.5337578 0.6640343 -0.6151079 0.6870886 -1.8869766 0.3671884 -0.3700722 0.0344929 -1.6286552 8 Se -2.0276554 0.4932857 0.3267992 0.6142393 -1.7731490 0.1833537 0.2583154 -0.0633405 -1.8595209 9 Se -2.5337578 -0.6640343 -0.6151079 -0.6870886 -1.8869766 -0.3671884 -0.3700722 -0.0344929 -1.6286552 10 Se -2.5337578 0.6640343 -0.6151079 0.6870886 -1.8869766 0.3671884 -0.3700722 0.0344929 -1.6286552 11 Se -2.5337578 -0.6640343 -0.6151079 -0.6870886 -1.8869766 -0.3671884 -0.3700722 -0.0344929 -1.6286552 12 Se -2.0276554 0.4932857 0.3267992 0.6142393 -1.7731490 0.1833537 0.2583154 -0.0633405 -1.8595209 13 Se -2.0276554 -0.4932857 0.3267992 -0.6142393 -1.7731490 -0.1833537 0.2583154 0.0633405 -1.8595209 14 Se -2.0276554 -0.4932857 0.3267992 -0.6142393 -1.7731490 -0.1833537 0.2583154 0.0633405 -1.8595209 15 Sn 3.9068488 1.0751461 0.2860659 1.4010205 3.1346179 0.2412168 0.0565565 -0.7884582 3.3116524 16 Sn 3.9068488 -1.0751461 0.2860659 -1.4010205 3.1346179 -0.2412168 0.0565565 0.7884582 3.3116524 17 Sn 3.9068488 1.0751461 0.2860659 1.4010205 3.1346179 0.2412168 0.0565565 -0.7884582 3.3116524 18 Sn 3.9068488 -1.0751461 0.2860659 -1.4010205 3.1346179 -0.2412168 0.0565565 0.7884582 3.3116524 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (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 ... [ 8 8 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 297, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.097 ( 0.000 0.000 0.000) 0.000 1.102 ( 0.000 0.000 0.000) 0.000 1.133 ( 0.000 0.000 0.000) 0.000 1.412 ( 0.000 0.000 0.000) 0.000 1.426 ( 0.000 0.000 0.000) 0.000 1.571 ( 0.000 0.000 0.000) 0.000 1.743 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.782 ( 0.000 0.000 0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.085 ( 0.000 0.000 0.000) 0.000 2.184 ( 0.000 0.000 0.000) 0.000 2.228 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.406 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.646 ( 0.000 0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.017 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.140 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.536 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 0.000) 0.000 3.972 ( 0.000 0.000 0.000) 0.000 3.992 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 5.076 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.138 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.399 ( 0.000 0.000 0.000) 0.000 6.489 ( 0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 6.882 ( 0.000 0.000 0.000) 0.000 6.934 ( 0.000 0.000 0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.245 ( 4.265 -12.133 0.592) 12.874 0.313 ( 10.225 -11.257 5.028) 16.017 0.501 ( 15.894 -15.744 6.875) 23.404 1.051 ( 2.942 4.196 -0.414) 5.141 1.140 ( -1.140 -3.632 -4.084) 5.583 1.238 ( 2.365 -4.573 3.318) 6.126 1.410 ( -0.265 -0.809 -3.977) 4.067 1.442 ( 0.325 -1.631 1.994) 2.597 1.572 ( 0.016 0.158 1.667) 1.674 1.703 ( -1.474 2.621 -1.254) 3.258 1.740 ( -3.843 2.511 -0.190) 4.594 1.794 ( 0.055 0.130 -1.418) 1.425 2.000 ( -1.006 2.456 0.424) 2.688 2.038 ( -2.233 -0.042 0.151) 2.238 2.072 ( -4.647 0.484 1.261) 4.840 2.172 ( 2.581 1.008 -1.352) 3.083 2.226 ( -0.402 0.214 0.428) 0.625 2.378 ( -0.918 -4.207 -0.836) 4.386 2.390 ( -1.039 1.683 0.675) 2.090 2.514 ( -5.264 2.522 1.482) 6.022 2.651 ( 0.241 1.845 2.354) 3.000 2.679 ( 3.902 -0.160 -4.878) 6.248 2.731 ( 0.682 0.720 1.035) 1.434 2.840 ( 4.830 0.600 5.465) 7.318 2.968 ( 0.305 -0.474 0.725) 0.918 3.022 ( 3.401 1.628 0.584) 3.816 3.079 ( 2.537 4.895 -3.034) 6.293 3.142 ( 1.167 0.385 -0.522) 1.335 3.425 ( 3.347 -0.179 0.912) 3.473 3.501 ( -1.587 3.348 -1.874) 4.152 3.635 ( -1.593 -2.167 -0.457) 2.728 3.658 ( 2.996 -2.287 3.793) 5.347 3.829 ( -0.895 0.531 1.708) 2.000 3.883 ( -1.406 -1.610 1.760) 2.769 3.922 ( -0.461 1.399 -3.264) 3.581 3.958 ( 0.965 -0.038 1.899) 2.131 3.981 ( 2.687 -2.201 -2.949) 4.556 4.236 ( -1.670 -6.409 -2.847) 7.209 4.892 ( 0.588 -0.204 0.040) 0.623 4.925 ( 3.660 2.866 0.629) 4.691 5.120 ( -0.610 1.013 -1.272) 1.737 5.140 ( 0.104 -0.242 0.860) 0.899 5.210 ( -2.452 -2.428 -1.155) 3.639 5.388 ( -0.550 0.400 0.093) 0.686 5.423 ( -0.369 0.411 0.197) 0.586 5.618 ( -13.427 -9.114 -6.434) 17.457 6.346 ( -2.337 1.502 14.360) 14.627 6.410 ( 1.191 -0.430 0.112) 1.271 6.506 ( -2.078 -1.030 0.485) 2.370 6.589 ( 0.396 -0.795 0.087) 0.892 6.851 ( -0.485 0.229 -0.104) 0.546 6.888 ( 0.321 -0.531 0.674) 0.916 7.041 ( 9.897 8.204 -3.927) 13.442 7.254 ( 3.229 1.597 -5.815) 6.840 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 3.582 -9.249 0.835) 9.954 0.579 ( 8.529 -8.270 0.641) 11.898 0.829 ( 6.869 -8.101 11.135) 15.389 1.061 ( 6.100 0.754 -1.013) 6.229 1.187 ( 2.254 -3.412 -4.262) 5.906 1.289 ( -3.189 -0.493 -0.119) 3.229 1.429 ( -0.728 -2.529 -4.404) 5.131 1.485 ( 0.001 -0.038 2.594) 2.595 1.617 ( 2.860 -2.272 -0.782) 3.736 1.624 ( -2.355 -0.011 -0.177) 2.362 1.672 ( 0.251 1.145 0.567) 1.302 1.780 ( 2.238 1.987 -0.385) 3.018 1.929 ( -2.326 3.902 -0.836) 4.619 2.013 ( -2.784 -0.129 5.154) 5.859 2.057 ( -0.323 -1.022 -1.053) 1.503 2.165 ( -0.781 1.126 -1.097) 1.755 2.225 ( 0.404 -0.080 0.230) 0.471 2.330 ( -3.171 3.269 0.398) 4.572 2.397 ( -3.524 -1.765 0.509) 3.974 2.449 ( 0.711 3.493 0.213) 3.571 2.654 ( -0.807 -1.295 3.275) 3.613 2.688 ( -1.011 1.248 -1.462) 2.172 2.718 ( 3.597 0.233 -3.584) 5.083 2.908 ( -0.714 -2.544 1.719) 3.152 2.956 ( -1.257 2.858 0.911) 3.252 3.031 ( 4.546 1.284 -1.150) 4.861 3.062 ( 3.684 0.478 0.884) 3.819 3.147 ( 1.170 0.318 0.166) 1.224 3.404 ( -4.000 4.806 -0.358) 6.263 3.462 ( 2.979 -0.296 -0.475) 3.031 3.668 ( -2.268 -3.918 -1.546) 4.784 3.738 ( 2.051 -2.716 1.649) 3.782 3.803 ( -1.687 0.438 -2.573) 3.108 3.877 ( 0.535 3.056 -2.229) 3.820 3.904 ( 3.081 -0.744 -0.610) 3.228 4.001 ( 0.601 -1.798 2.577) 3.199 4.045 ( 2.312 -3.451 0.422) 4.175 4.306 ( 0.224 -3.556 1.540) 3.882 4.902 ( 0.579 -0.160 0.243) 0.648 4.933 ( 1.928 0.013 -0.666) 2.040 5.087 ( -1.154 1.286 -1.156) 2.079 5.148 ( 0.110 -0.351 0.357) 0.512 5.216 ( -0.980 -1.086 -0.379) 1.511 5.372 ( -0.839 0.652 0.150) 1.073 5.411 ( -0.482 0.522 0.381) 0.806 5.569 ( -6.738 -1.208 -3.474) 7.677 6.351 ( -0.770 0.470 6.573) 6.635 6.434 ( 1.577 -0.471 0.304) 1.673 6.498 ( -0.984 0.000 -0.313) 1.033 6.602 ( -0.120 -0.504 -0.834) 0.982 6.837 ( -0.696 0.529 0.239) 0.906 6.908 ( 0.648 -0.833 0.591) 1.210 7.002 ( 1.885 3.817 -0.972) 4.366 7.248 ( 2.041 0.737 -3.223) 3.885 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 2.506 -4.785 0.548) 5.429 0.743 ( 4.667 -4.310 -1.201) 6.465 1.035 ( 5.635 -5.170 12.150) 14.357 1.133 ( 6.067 -1.039 -1.170) 6.266 1.212 ( -3.316 -1.000 -2.329) 4.174 1.277 ( 1.176 -2.366 -2.497) 3.635 1.396 ( -3.585 2.746 -2.663) 5.242 1.429 ( -4.519 -0.147 -4.086) 6.094 1.553 ( -0.787 2.698 3.161) 4.229 1.664 ( -1.222 -2.898 -1.873) 3.661 1.727 ( 3.006 2.857 0.949) 4.254 1.819 ( -2.235 2.483 0.446) 3.370 1.911 ( 8.887 -5.032 -1.770) 10.365 2.024 ( 0.888 0.232 5.433) 5.510 2.068 ( -1.240 -2.199 -0.976) 2.706 2.128 ( -1.578 1.025 -0.762) 2.030 2.213 ( -2.779 2.231 0.500) 3.599 2.269 ( 0.958 0.160 1.096) 1.464 2.367 ( -1.030 4.271 -1.692) 4.708 2.426 ( 1.933 -1.468 1.493) 2.849 2.639 ( -4.871 0.216 0.718) 4.929 2.691 ( 0.280 -1.731 2.260) 2.860 2.753 ( 2.375 -1.456 -4.585) 5.365 2.882 ( -1.198 4.400 0.148) 4.563 2.900 ( -3.675 0.146 1.573) 4.001 3.071 ( 1.544 0.995 -1.061) 2.121 3.104 ( 4.880 -1.203 -0.530) 5.054 3.186 ( 2.653 -2.181 2.688) 4.361 3.286 ( -4.015 4.231 0.671) 5.871 3.503 ( 1.939 -1.754 -0.975) 2.791 3.662 ( -2.118 -0.387 -3.091) 3.767 3.746 ( 0.225 4.126 0.062) 4.133 3.803 ( 0.372 -1.250 -1.011) 1.650 3.847 ( -1.515 -2.165 -2.214) 3.447 3.963 ( 2.168 -2.333 0.330) 3.202 4.019 ( 1.148 1.480 2.063) 2.786 4.131 ( 2.875 -3.134 -0.061) 4.253 4.350 ( -0.291 -1.307 2.170) 2.549 4.911 ( 0.196 -0.298 0.207) 0.413 4.956 ( 1.286 -0.734 -0.601) 1.599 5.056 ( -0.990 0.710 -0.313) 1.258 5.159 ( 0.839 -0.651 -0.592) 1.216 5.217 ( -0.823 -0.330 0.223) 0.915 5.353 ( -0.783 0.629 0.099) 1.009 5.402 ( -0.230 0.309 0.496) 0.628 5.494 ( -4.190 1.376 -2.225) 4.940 6.360 ( -0.057 -0.006 3.226) 3.226 6.454 ( 0.905 -0.123 -0.073) 0.916 6.485 ( -0.612 0.204 0.401) 0.759 6.594 ( -0.753 0.147 -1.252) 1.468 6.827 ( -0.134 0.258 0.206) 0.357 6.925 ( 0.410 -0.338 0.268) 0.595 6.969 ( 0.157 1.598 -0.309) 1.636 7.253 ( 1.170 0.039 -1.427) 1.845 ======================= Grid point 4 (5/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 -0.000 -0.000) 0.000 0.803 ( 0.000 -0.000 -0.000) 0.000 1.151 ( -0.000 -0.000 -0.000) 0.000 1.157 ( 0.000 -0.000 0.000) 0.000 1.245 ( -0.000 0.000 0.000) 0.000 1.260 ( 0.000 -0.000 -0.000) 0.000 1.337 ( 0.000 -0.000 -0.000) 0.000 1.398 ( -0.000 -0.000 -0.000) 0.000 1.533 ( 0.000 -0.000 0.000) 0.000 1.689 ( -0.000 -0.000 -0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 1.768 ( -0.000 -0.000 0.000) 0.000 2.003 ( 0.000 -0.000 -0.000) 0.000 2.048 ( 0.000 -0.000 0.000) 0.000 2.081 ( -0.000 0.000 -0.000) 0.000 2.111 ( 0.000 -0.000 -0.000) 0.000 2.165 ( 0.000 -0.000 0.000) 0.000 2.294 ( 0.000 -0.000 -0.000) 0.000 2.304 ( -0.000 -0.000 0.000) 0.000 2.519 ( 0.000 -0.000 -0.000) 0.000 2.559 ( 0.000 -0.000 -0.000) 0.000 2.717 ( 0.000 0.000 -0.000) 0.000 2.773 ( -0.000 -0.000 0.000) 0.000 2.823 ( 0.000 -0.000 -0.000) 0.000 2.875 ( 0.000 -0.000 0.000) 0.000 3.066 ( 0.000 -0.000 -0.000) 0.000 3.157 ( 0.000 -0.000 0.000) 0.000 3.217 ( 0.000 -0.000 0.000) 0.000 3.236 ( 0.000 -0.000 -0.000) 0.000 3.531 ( 0.000 -0.000 -0.000) 0.000 3.653 ( 0.000 -0.000 0.000) 0.000 3.689 ( 0.000 -0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 3.860 ( -0.000 -0.000 -0.000) 0.000 4.003 ( -0.000 -0.000 0.000) 0.000 4.007 ( 0.000 0.000 -0.000) 0.000 4.176 ( 0.000 -0.000 0.000) 0.000 4.360 ( -0.000 -0.000 -0.000) 0.000 4.915 ( 0.000 -0.000 -0.000) 0.000 4.970 ( 0.000 -0.000 -0.000) 0.000 5.044 ( 0.000 -0.000 0.000) 0.000 5.175 ( -0.000 -0.000 0.000) 0.000 5.211 ( 0.000 -0.000 -0.000) 0.000 5.343 ( 0.000 -0.000 -0.000) 0.000 5.401 ( 0.000 -0.000 0.000) 0.000 5.450 ( 0.000 -0.000 0.000) 0.000 6.367 ( 0.000 -0.000 0.000) 0.000 6.456 ( 0.000 -0.000 0.000) 0.000 6.484 ( 0.000 -0.000 -0.000) 0.000 6.585 ( 0.000 -0.000 0.000) 0.000 6.825 ( 0.000 -0.000 0.000) 0.000 6.929 ( -0.000 -0.000 -0.000) 0.000 6.957 ( -0.000 -0.000 0.000) 0.000 7.257 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/78) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 16.768 0.000 -0.762) 16.786 0.394 ( 16.224 0.000 -0.670) 16.238 0.612 ( 19.854 0.000 16.433) 25.773 1.097 ( 3.538 0.000 -3.112) 4.712 1.192 ( 3.772 0.000 3.818) 5.367 1.200 ( 5.950 0.000 -1.752) 6.203 1.387 ( -0.891 -0.000 -3.129) 3.253 1.424 ( -0.031 -0.000 0.832) 0.833 1.578 ( -0.664 -0.000 3.181) 3.250 1.679 ( -6.431 -0.000 -4.609) 7.913 1.714 ( -2.925 -0.000 0.215) 2.933 1.781 ( 0.375 0.000 -0.451) 0.587 2.001 ( -3.068 -0.000 -0.147) 3.071 2.013 ( -4.851 -0.000 3.058) 5.734 2.034 ( -0.576 -0.000 -0.870) 1.043 2.183 ( -0.500 -0.000 -1.597) 1.673 2.217 ( -1.804 -0.000 1.352) 2.254 2.343 ( 0.141 0.000 0.534) 0.552 2.379 ( -3.173 -0.000 0.652) 3.240 2.489 ( -4.342 -0.000 4.777) 6.456 2.661 ( 0.649 0.000 -3.387) 3.448 2.690 ( -2.169 -0.000 0.552) 2.238 2.774 ( 6.006 0.000 -3.467) 6.934 2.867 ( -1.329 -0.000 -0.767) 1.535 2.983 ( 1.563 0.000 -0.206) 1.577 3.076 ( 4.070 0.000 5.336) 6.711 3.159 ( 2.593 0.000 -1.958) 3.249 3.165 ( -0.160 -0.000 -6.123) 6.125 3.438 ( 2.925 0.000 1.202) 3.163 3.537 ( -3.887 -0.000 3.259) 5.072 3.582 ( -4.619 -0.000 -0.224) 4.625 3.711 ( 3.075 0.000 0.843) 3.188 3.821 ( 0.074 0.000 6.022) 6.023 3.878 ( -1.532 -0.000 -0.359) 1.573 3.897 ( 2.747 0.000 0.665) 2.826 3.979 ( 2.551 0.000 -6.194) 6.699 4.040 ( 2.441 0.000 -0.886) 2.597 4.119 ( 5.266 0.000 -3.681) 6.425 4.890 ( 0.632 0.000 -1.307) 1.452 5.058 ( 0.234 0.000 -2.095) 2.108 5.107 ( 1.656 0.000 0.832) 1.853 5.136 ( 0.100 0.000 0.636) 0.644 5.141 ( 0.725 0.000 0.741) 1.037 5.382 ( -1.102 -0.000 0.547) 1.230 5.423 ( -0.470 -0.000 -0.222) 0.520 5.442 ( -0.601 -0.000 0.132) 0.616 6.367 ( -4.054 -0.000 12.472) 13.115 6.428 ( 2.500 0.000 0.282) 2.516 6.490 ( 0.499 0.000 -1.299) 1.391 6.579 ( -0.042 -0.000 -0.460) 0.462 6.849 ( -0.220 -0.000 -0.489) 0.536 6.880 ( -0.482 -0.000 0.755) 0.896 7.116 ( -3.805 -0.000 -2.415) 4.507 7.293 ( 2.111 0.000 -8.354) 8.616 ======================= Grid point 11 (7/78) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 15.481 0.336 0.020) 15.485 0.591 ( 11.578 -4.265 -1.364) 12.413 0.874 ( 10.642 -3.240 13.501) 17.493 1.146 ( 4.034 -0.878 -2.700) 4.933 1.184 ( 6.758 2.637 -2.432) 7.651 1.288 ( 0.844 2.260 1.380) 2.780 1.376 ( -0.517 -1.641 -3.067) 3.516 1.485 ( 1.236 -1.567 1.968) 2.803 1.562 ( -1.576 -2.650 -2.504) 3.972 1.609 ( -1.540 -0.644 -0.860) 1.878 1.675 ( -2.901 -0.303 1.804) 3.429 1.805 ( 2.371 -1.192 0.574) 2.715 1.942 ( -3.396 2.200 -0.650) 4.098 1.977 ( -3.429 -0.892 2.858) 4.552 2.049 ( 0.357 -1.349 0.264) 1.420 2.159 ( -1.953 0.876 -0.995) 2.360 2.203 ( -2.400 -0.733 1.319) 2.834 2.327 ( -4.317 1.908 0.632) 4.762 2.345 ( -2.502 -1.007 2.198) 3.479 2.477 ( -0.747 -0.154 3.163) 3.254 2.634 ( -2.168 1.505 -0.475) 2.682 2.674 ( -0.916 -0.802 -2.942) 3.184 2.789 ( 3.598 2.639 -4.153) 6.096 2.862 ( -1.016 -1.993 -1.683) 2.799 2.980 ( -0.430 1.821 1.167) 2.205 3.109 ( 3.178 2.783 -3.512) 5.494 3.137 ( 4.032 1.167 0.999) 4.315 3.195 ( 4.868 1.231 1.814) 5.339 3.433 ( -4.113 4.391 0.407) 6.031 3.501 ( 0.222 0.142 2.572) 2.585 3.571 ( -0.830 -4.370 -1.864) 4.823 3.723 ( -0.802 -0.362 -0.362) 0.951 3.794 ( 1.268 3.334 -2.090) 4.134 3.918 ( 2.528 -2.690 2.141) 4.268 3.960 ( 2.257 3.621 -1.593) 4.555 3.981 ( 2.638 -3.433 0.097) 4.331 4.036 ( 3.235 -0.076 -1.551) 3.588 4.233 ( 1.197 -5.858 0.942) 6.053 4.900 ( 1.007 -0.684 -1.485) 1.920 5.010 ( 3.245 4.239 -0.105) 5.340 5.098 ( -1.191 1.921 0.216) 2.271 5.137 ( 0.397 -0.830 -0.272) 0.959 5.196 ( 1.095 -1.511 1.010) 2.122 5.371 ( -1.056 0.260 0.527) 1.208 5.411 ( -0.783 0.277 0.020) 0.831 5.466 ( -2.765 -3.075 -1.328) 4.344 6.365 ( -1.948 0.238 6.740) 7.020 6.458 ( 2.862 0.351 0.295) 2.898 6.493 ( 0.375 -0.015 -1.187) 1.244 6.581 ( -0.610 -0.810 -1.146) 1.530 6.837 ( -0.618 0.602 -0.146) 0.875 6.891 ( -0.413 -1.504 0.579) 1.663 7.046 ( -2.890 2.024 -2.421) 4.278 7.271 ( 0.617 1.447 -2.447) 2.909 ======================= Grid point 12 (8/78) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 12.218 0.648 1.821) 12.370 0.746 ( 8.706 -2.814 -3.414) 9.766 1.046 ( 3.527 -3.833 4.966) 7.196 1.156 ( -1.716 -0.463 2.060) 2.721 1.225 ( 7.550 2.986 -1.995) 8.361 1.269 ( 2.626 -0.266 -1.616) 3.095 1.371 ( -1.871 -0.300 -1.175) 2.230 1.402 ( -2.628 3.390 -2.822) 5.134 1.588 ( -1.221 1.820 1.749) 2.804 1.597 ( -3.103 -2.049 -0.270) 3.728 1.758 ( 2.188 -4.216 1.374) 4.945 1.834 ( -1.842 2.857 0.818) 3.497 1.930 ( 5.192 -2.902 0.100) 5.949 1.998 ( -0.721 -3.879 2.719) 4.792 2.067 ( 0.944 0.430 1.116) 1.524 2.117 ( -2.478 0.826 0.442) 2.649 2.196 ( -2.964 -0.875 0.758) 3.182 2.248 ( -4.099 0.796 0.385) 4.194 2.353 ( -1.560 -2.331 2.114) 3.512 2.466 ( 0.950 3.143 -2.400) 4.068 2.569 ( -5.779 0.314 3.443) 6.735 2.675 ( -0.160 -1.483 -2.315) 2.754 2.786 ( 3.711 1.138 -3.567) 5.271 2.874 ( -1.217 -1.066 0.377) 1.661 2.931 ( -1.278 3.687 0.803) 3.984 3.108 ( 3.611 1.096 -5.121) 6.361 3.153 ( 2.058 1.224 2.828) 3.706 3.239 ( 5.120 1.447 1.883) 5.644 3.315 ( -2.893 4.833 0.087) 5.633 3.514 ( 0.480 -0.932 0.590) 1.203 3.620 ( -0.321 -1.198 -3.205) 3.437 3.717 ( -1.576 -3.888 -2.504) 4.886 3.779 ( 2.251 1.523 -0.942) 2.876 3.888 ( -0.770 4.938 -0.579) 5.031 3.988 ( 3.620 -0.765 0.520) 3.737 4.038 ( 1.360 -0.746 2.300) 2.774 4.110 ( 3.488 -3.510 -1.209) 5.094 4.305 ( -1.189 -3.074 1.543) 3.639 4.917 ( 1.101 -0.502 -1.313) 1.786 5.001 ( 3.861 2.477 0.218) 4.592 5.062 ( -0.910 1.205 0.383) 1.558 5.154 ( 0.754 -0.888 -0.233) 1.188 5.219 ( 1.131 0.301 1.465) 1.875 5.356 ( -0.535 0.568 0.204) 0.807 5.400 ( -0.711 0.016 0.058) 0.714 5.452 ( -3.057 -0.545 -1.423) 3.416 6.365 ( -0.980 -0.027 3.271) 3.414 6.475 ( 1.809 1.018 -0.156) 2.081 6.488 ( 0.326 0.325 -0.645) 0.792 6.578 ( -0.715 -0.517 -1.282) 1.556 6.825 ( -0.431 0.123 0.012) 0.448 6.911 ( -0.603 -1.397 0.308) 1.552 6.990 ( -1.268 1.374 -1.666) 2.504 7.253 ( -0.618 0.426 -0.029) 0.751 ======================= Grid point 13 (9/78) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 6.112 3.877 2.444) 7.640 0.835 ( 6.922 2.233 -2.713) 7.763 1.055 ( -5.404 -3.007 -5.888) 8.539 1.182 ( 0.199 1.553 -1.083) 1.904 1.263 ( 0.052 -1.681 4.693) 4.985 1.294 ( 6.223 0.814 -2.898) 6.913 1.322 ( -0.278 1.227 -0.302) 1.294 1.424 ( 4.742 -1.421 1.876) 5.294 1.540 ( -2.584 1.077 -0.175) 2.805 1.608 ( -1.990 -2.128 2.264) 3.689 1.752 ( -3.066 1.107 -0.103) 3.261 1.814 ( 3.236 2.821 2.317) 4.879 1.988 ( -1.014 -1.830 0.180) 2.100 2.039 ( -1.243 1.054 -1.240) 2.048 2.087 ( 0.293 -1.620 0.000) 1.646 2.101 ( 0.209 -1.373 3.194) 3.483 2.155 ( -2.529 1.083 3.107) 4.150 2.236 ( -4.268 -2.525 -1.933) 5.322 2.312 ( -3.296 2.842 -2.229) 4.890 2.469 ( -3.196 -1.537 0.163) 3.550 2.561 ( 2.822 -2.250 3.445) 4.989 2.709 ( -0.216 -3.711 1.230) 3.916 2.788 ( 3.615 2.535 -4.458) 6.274 2.848 ( -1.710 2.230 -1.362) 3.123 2.892 ( 1.987 0.283 1.020) 2.252 3.096 ( 1.179 2.256 -2.326) 3.448 3.170 ( 0.060 0.918 1.964) 2.168 3.230 ( 0.466 1.619 -1.021) 1.970 3.274 ( 3.403 3.113 0.536) 4.643 3.545 ( 0.623 -1.858 -0.217) 1.972 3.605 ( -0.780 -1.149 -1.545) 2.077 3.735 ( -0.311 4.207 -2.305) 4.807 3.785 ( 2.050 -2.208 -1.020) 3.181 3.842 ( -1.484 -1.972 1.105) 2.704 4.014 ( 2.069 1.937 1.983) 3.460 4.056 ( 1.020 1.481 1.074) 2.095 4.165 ( -0.006 -1.007 -1.073) 1.472 4.323 ( -2.014 -1.992 -0.093) 2.835 4.929 ( 1.130 0.025 -0.942) 1.471 5.003 ( 2.231 2.285 0.204) 3.200 5.051 ( 0.792 0.247 0.476) 0.956 5.169 ( -0.451 -0.388 -0.335) 0.683 5.232 ( 1.940 0.869 1.993) 2.914 5.348 ( 0.528 0.366 -0.236) 0.684 5.393 ( -0.648 -0.225 -0.745) 1.013 5.441 ( 0.270 -1.377 0.748) 1.591 6.362 ( -0.967 0.046 0.101) 0.973 6.470 ( 0.574 0.980 0.489) 1.236 6.488 ( 1.063 0.328 -1.769) 2.090 6.581 ( 0.061 -0.597 0.305) 0.673 6.820 ( -0.484 -0.056 -0.154) 0.511 6.919 ( -1.038 -0.719 -0.026) 1.263 6.964 ( 0.003 0.580 -0.942) 1.106 7.242 ( -1.812 -0.374 1.164) 2.186 ======================= Grid point 14 (10/78) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 1.021 5.663 3.826) 6.910 0.790 ( 2.140 7.546 -2.479) 8.227 0.994 ( -4.310 1.634 -10.197) 11.190 1.139 ( 0.617 3.937 1.078) 4.129 1.246 ( -1.729 2.416 0.093) 2.973 1.321 ( 2.390 -1.238 2.942) 3.988 1.407 ( 6.209 -2.586 0.634) 6.756 1.483 ( 1.567 0.322 -0.004) 1.600 1.518 ( 0.771 -1.687 -0.831) 2.032 1.638 ( -1.941 -2.983 2.449) 4.320 1.726 ( -1.030 1.275 3.601) 3.956 1.807 ( 1.217 0.649 -0.998) 1.703 1.912 ( -9.001 7.133 2.081) 11.671 1.992 ( -0.382 -0.681 -2.658) 2.770 2.105 ( -0.928 -1.356 0.993) 1.920 2.125 ( 0.536 1.026 2.183) 2.471 2.184 ( 1.714 -4.859 -0.432) 5.170 2.210 ( -3.910 -1.853 -3.516) 5.576 2.302 ( -0.535 -3.976 1.654) 4.339 2.408 ( -2.791 0.639 -2.623) 3.883 2.647 ( 1.215 -1.363 3.863) 4.273 2.757 ( 2.940 3.849 -1.141) 4.976 2.774 ( 0.430 -1.424 -0.757) 1.669 2.826 ( -0.355 -2.016 -0.683) 2.158 2.934 ( 3.914 -0.687 -1.852) 4.384 3.057 ( -1.454 1.341 -0.024) 1.978 3.116 ( -2.067 4.216 1.344) 4.884 3.221 ( 0.437 5.033 -1.828) 5.372 3.274 ( 4.542 -2.828 -0.956) 5.435 3.554 ( 0.887 2.961 1.248) 3.334 3.648 ( -1.911 -4.692 -1.296) 5.230 3.678 ( -0.087 -0.541 1.645) 1.734 3.803 ( 0.979 1.378 0.234) 1.706 3.904 ( 1.248 -4.370 -0.879) 4.629 3.989 ( -0.628 3.571 0.505) 3.661 4.015 ( -0.034 4.223 2.735) 5.031 4.138 ( -2.365 1.688 -1.126) 3.116 4.330 ( -1.282 -1.389 -2.043) 2.783 4.932 ( 1.068 0.733 -0.633) 1.441 4.978 ( 0.260 2.637 0.211) 2.658 5.066 ( 1.553 -0.102 0.727) 1.718 5.157 ( -0.943 0.313 -0.594) 1.158 5.243 ( 1.368 0.954 1.572) 2.292 5.354 ( 0.744 -0.334 -0.487) 0.950 5.394 ( 0.116 -0.528 -0.524) 0.753 5.513 ( 4.343 -3.338 2.623) 6.073 6.345 ( -0.937 0.050 -2.376) 2.554 6.457 ( -0.413 1.020 -0.084) 1.104 6.498 ( 2.319 0.150 -1.050) 2.550 6.595 ( -0.324 -0.698 1.269) 1.484 6.818 ( -0.142 -0.474 -0.404) 0.639 6.911 ( -1.668 -0.266 -0.105) 1.693 6.962 ( 0.631 -0.007 -0.692) 0.937 7.231 ( -2.541 -0.579 1.875) 3.211 ======================= Grid point 15 (11/78) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -3.996 7.806 1.192) 8.850 0.686 ( 6.032 11.575 1.317) 13.118 0.852 ( -3.848 6.571 -9.402) 12.099 1.048 ( -2.531 5.791 1.294) 6.451 1.225 ( 0.722 0.912 1.909) 2.235 1.365 ( 3.557 1.642 3.184) 5.049 1.463 ( -1.787 0.942 -3.404) 3.958 1.492 ( 3.343 1.110 2.562) 4.355 1.597 ( 2.328 -4.713 0.202) 5.261 1.626 ( -7.069 5.677 -1.915) 9.267 1.659 ( -2.705 -1.103 -0.727) 3.010 1.726 ( -0.905 0.051 3.341) 3.462 1.881 ( 0.498 -4.183 0.255) 4.221 2.014 ( 3.032 -1.646 -1.922) 3.949 2.097 ( 0.679 2.284 0.556) 2.447 2.132 ( -3.218 -2.314 0.516) 3.997 2.195 ( -0.907 -1.663 -0.819) 2.064 2.285 ( 0.972 -5.070 -0.311) 5.172 2.381 ( 0.713 -5.096 0.791) 5.206 2.413 ( 0.640 -3.294 -0.908) 3.476 2.647 ( -1.739 2.181 1.131) 3.010 2.727 ( 2.596 2.920 -0.099) 3.909 2.752 ( 0.443 3.259 -0.145) 3.293 2.880 ( -1.178 -5.210 -1.130) 5.460 2.940 ( -0.633 2.580 -2.961) 3.978 3.031 ( -1.039 3.365 0.925) 3.642 3.045 ( -0.119 -0.225 1.225) 1.251 3.157 ( 0.209 2.683 -0.825) 2.815 3.385 ( 4.339 -4.232 0.676) 6.099 3.493 ( 0.109 5.229 1.701) 5.500 3.667 ( -3.060 -3.811 -3.398) 5.953 3.753 ( 0.025 -4.025 3.413) 5.277 3.770 ( 0.386 3.189 -0.237) 3.222 3.895 ( -2.019 4.482 -0.177) 4.919 3.961 ( 2.929 2.084 2.597) 4.435 3.986 ( -0.701 -0.677 -0.246) 1.005 4.071 ( -1.645 3.196 -1.770) 4.007 4.317 ( -1.123 0.460 -1.640) 2.040 4.922 ( 1.089 2.011 -0.892) 2.455 4.939 ( -0.991 1.668 0.873) 2.127 5.093 ( 1.570 -0.586 1.634) 2.341 5.140 ( -0.973 0.036 -1.614) 1.885 5.246 ( 1.000 0.872 1.018) 1.673 5.369 ( 0.460 -0.753 -0.237) 0.914 5.405 ( 0.260 -0.636 -0.267) 0.737 5.631 ( 5.101 -3.609 2.875) 6.878 6.327 ( -0.543 -0.130 -3.364) 3.410 6.434 ( -0.569 1.094 -0.213) 1.251 6.520 ( 2.879 0.322 -0.556) 2.950 6.593 ( -2.547 -0.347 1.139) 2.812 6.833 ( 1.222 -0.867 -0.470) 1.570 6.890 ( -2.534 -0.017 -0.026) 2.534 6.966 ( 0.145 -0.021 -0.385) 0.412 7.223 ( -1.894 -0.896 1.860) 2.802 ======================= Grid point 16 (12/78) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 0.000 12.572 0.000) 12.572 0.544 ( 0.000 15.591 0.000) 15.591 0.626 ( 0.000 14.967 0.000) 14.967 0.989 ( -0.000 -0.708 -0.000) 0.708 1.222 ( 0.000 1.610 0.000) 1.610 1.294 ( 0.000 8.643 0.000) 8.643 1.425 ( -0.000 -0.564 -0.000) 0.564 1.460 ( 0.000 2.925 0.000) 2.925 1.561 ( -0.000 -0.443 -0.000) 0.443 1.676 ( -0.000 -1.876 -0.000) 1.876 1.706 ( -0.000 -5.011 -0.000) 5.011 1.755 ( -0.000 -3.534 -0.000) 3.534 1.951 ( -0.000 -4.251 -0.000) 4.251 2.067 ( 0.000 1.996 0.000) 1.996 2.080 ( -0.000 -3.373 -0.000) 3.373 2.127 ( -0.000 -0.520 -0.000) 0.520 2.214 ( -0.000 -1.211 -0.000) 1.211 2.353 ( -0.000 -3.447 -0.000) 3.447 2.441 ( 0.000 0.386 0.000) 0.386 2.493 ( -0.000 -5.418 -0.000) 5.418 2.593 ( 0.000 0.494 0.000) 0.494 2.707 ( 0.000 2.633 0.000) 2.633 2.717 ( 0.000 0.708 0.000) 0.708 2.849 ( 0.000 5.560 0.000) 5.560 2.945 ( -0.000 -4.496 -0.000) 4.496 2.993 ( 0.000 2.053 0.000) 2.053 3.060 ( -0.000 -0.610 -0.000) 0.610 3.135 ( 0.000 0.311 0.000) 0.311 3.425 ( 0.000 2.839 0.000) 2.839 3.476 ( -0.000 -3.410 -0.000) 3.410 3.656 ( 0.000 1.739 0.000) 1.739 3.708 ( 0.000 4.223 0.000) 4.223 3.807 ( -0.000 -1.578 -0.000) 1.578 3.872 ( -0.000 -3.299 -0.000) 3.299 3.938 ( 0.000 2.978 0.000) 2.978 3.979 ( 0.000 2.172 0.000) 2.172 4.012 ( 0.000 2.384 0.000) 2.384 4.289 ( 0.000 1.683 0.000) 1.683 4.894 ( 0.000 1.536 0.000) 1.536 4.918 ( 0.000 0.997 0.000) 0.997 5.122 ( -0.000 -0.778 -0.000) 0.778 5.126 ( -0.000 -0.202 -0.000) 0.202 5.242 ( 0.000 0.791 0.000) 0.791 5.382 ( -0.000 -0.695 -0.000) 0.695 5.416 ( -0.000 -0.668 -0.000) 0.668 5.732 ( -0.000 -3.781 -0.000) 3.781 6.317 ( -0.000 -0.014 -0.000) 0.014 6.414 ( 0.000 0.910 0.000) 0.910 6.539 ( 0.000 0.439 0.000) 0.439 6.573 ( -0.000 -0.352 -0.000) 0.352 6.861 ( 0.000 0.479 0.000) 0.479 6.862 ( -0.000 -0.997 -0.000) 0.997 6.957 ( 0.000 0.873 0.000) 0.873 7.232 ( -0.000 -1.096 -0.000) 1.096 ======================= Grid point 19 (13/78) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 9.577 0.000 -1.517) 9.697 0.696 ( 13.148 0.000 -2.140) 13.321 1.006 ( 8.004 0.000 8.742) 11.853 1.128 ( -1.818 -0.000 -5.209) 5.517 1.299 ( 4.853 0.000 1.474) 5.072 1.344 ( 0.533 0.000 -0.999) 1.133 1.435 ( 12.042 0.000 2.710) 12.343 1.476 ( 4.805 0.000 1.137) 4.938 1.502 ( -4.861 -0.000 -4.791) 6.825 1.587 ( 0.819 0.000 0.899) 1.216 1.621 ( -5.896 -0.000 2.563) 6.429 1.829 ( 3.975 0.000 2.306) 4.596 1.910 ( -3.606 -0.000 -2.110) 4.178 1.948 ( -3.090 -0.000 2.685) 4.094 2.032 ( 0.405 0.000 -1.407) 1.464 2.142 ( -2.331 -0.000 -0.119) 2.334 2.174 ( -3.001 -0.000 1.996) 3.605 2.298 ( -4.661 -0.000 1.076) 4.784 2.319 ( -3.318 -0.000 4.949) 5.958 2.484 ( 0.594 0.000 3.070) 3.127 2.630 ( -2.392 -0.000 -1.698) 2.933 2.638 ( -0.230 -0.000 -3.591) 3.599 2.815 ( -1.720 -0.000 -2.988) 3.448 2.830 ( 2.261 0.000 -3.756) 4.384 3.002 ( -0.332 -0.000 2.761) 2.781 3.156 ( 3.100 0.000 -6.212) 6.942 3.157 ( 1.888 0.000 -1.348) 2.320 3.275 ( 4.044 0.000 2.134) 4.573 3.419 ( -5.379 -0.000 0.106) 5.380 3.490 ( -2.958 -0.000 3.566) 4.633 3.545 ( 3.619 0.000 1.590) 3.953 3.693 ( -2.932 -0.000 -2.146) 3.634 3.845 ( 0.831 0.000 -0.459) 0.949 3.950 ( 1.377 0.000 -5.176) 5.356 3.969 ( 6.592 0.000 2.390) 7.012 4.016 ( 4.440 0.000 -0.522) 4.470 4.065 ( 1.096 0.000 -1.820) 2.125 4.216 ( 3.371 0.000 2.693) 4.315 4.904 ( 1.654 0.000 -1.572) 2.282 5.058 ( 1.272 0.000 -1.909) 2.294 5.099 ( -2.291 -0.000 1.520) 2.749 5.138 ( -0.266 -0.000 0.248) 0.364 5.224 ( 4.720 0.000 1.961) 5.112 5.362 ( -1.226 -0.000 1.285) 1.776 5.403 ( -0.936 -0.000 -0.850) 1.264 5.421 ( -1.125 -0.000 -0.583) 1.268 6.366 ( -1.664 -0.000 4.917) 5.191 6.494 ( 0.840 0.000 -1.596) 1.804 6.503 ( 3.807 0.000 0.565) 3.849 6.559 ( -1.343 -0.000 -1.972) 2.386 6.838 ( -0.432 -0.000 -0.636) 0.769 6.867 ( -1.179 -0.000 0.557) 1.304 7.008 ( -3.623 -0.000 -2.228) 4.253 7.276 ( -0.896 -0.000 -0.331) 0.955 ======================= Grid point 20 (14/78) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 7.240 -1.807 -3.280) 8.151 0.831 ( 9.724 -1.858 -1.551) 10.021 1.041 ( -2.795 2.053 -3.759) 5.114 1.130 ( 1.862 -3.199 2.895) 4.699 1.302 ( -0.216 2.902 -2.480) 3.823 1.357 ( 1.141 0.226 2.999) 3.217 1.417 ( 3.185 4.777 0.860) 5.806 1.457 ( 8.228 6.019 -1.129) 10.257 1.532 ( -4.542 -1.056 1.049) 4.780 1.606 ( 1.098 0.431 1.993) 2.316 1.693 ( 2.145 -6.086 0.948) 6.522 1.851 ( -1.782 1.039 0.733) 2.189 1.916 ( 0.015 -1.486 1.835) 2.361 1.968 ( 3.699 -4.064 2.054) 5.867 2.052 ( 0.313 -2.881 -3.206) 4.322 2.109 ( -1.876 0.897 1.358) 2.484 2.151 ( -3.065 -0.339 2.037) 3.696 2.232 ( -4.584 2.117 1.155) 5.179 2.311 ( -2.519 -1.021 4.748) 5.471 2.499 ( 1.207 0.630 1.119) 1.762 2.569 ( -2.038 3.338 -1.670) 4.253 2.640 ( -0.160 -1.382 -3.075) 3.376 2.804 ( 0.601 -0.987 -0.292) 1.192 2.843 ( -0.135 -1.060 -2.293) 2.529 2.975 ( -1.460 3.400 2.035) 4.223 3.147 ( 3.419 1.684 -6.061) 7.160 3.181 ( -0.576 -0.409 1.801) 1.935 3.261 ( -2.415 -0.300 -4.292) 4.934 3.401 ( 4.256 3.130 3.613) 6.401 3.476 ( -3.582 -1.026 2.477) 4.474 3.608 ( 2.649 -2.731 0.649) 3.860 3.651 ( -1.651 0.862 -3.022) 3.550 3.850 ( 2.530 1.094 -0.851) 2.885 3.927 ( -1.135 2.106 -3.512) 4.249 4.005 ( 2.495 0.091 0.422) 2.532 4.061 ( 2.185 0.091 -0.025) 2.187 4.111 ( 5.263 -1.558 -0.114) 5.490 4.273 ( 1.059 -1.628 2.140) 2.890 4.921 ( 1.876 -0.231 -1.428) 2.369 5.058 ( 0.483 1.117 -0.235) 1.239 5.072 ( -0.326 0.735 0.298) 0.858 5.142 ( -0.379 -0.882 0.219) 0.985 5.270 ( 3.680 1.368 2.937) 4.903 5.358 ( -0.328 -0.154 0.858) 0.931 5.389 ( -0.830 -0.026 -1.072) 1.356 5.411 ( -1.686 -0.661 -0.813) 1.985 6.364 ( -1.129 0.100 2.723) 2.950 6.496 ( 0.645 0.310 -1.130) 1.337 6.514 ( 0.541 1.460 -1.424) 2.110 6.558 ( 0.865 -0.949 -0.562) 1.402 6.825 ( -0.324 0.411 -0.304) 0.605 6.874 ( -1.243 -1.814 -0.058) 2.200 6.971 ( -2.088 -0.105 -1.207) 2.414 7.256 ( -1.242 0.926 0.941) 1.813 ======================= Grid point 21 (15/78) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 5.002 1.140 -1.371) 5.310 0.908 ( -2.851 -4.018 -4.777) 6.863 0.982 ( 2.780 2.960 -1.251) 4.249 1.206 ( 2.870 -1.377 -0.918) 3.313 1.226 ( -1.744 0.260 -1.698) 2.448 1.347 ( 0.216 3.079 0.917) 3.220 1.438 ( 6.148 1.881 1.155) 6.532 1.461 ( 0.020 -0.628 3.898) 3.949 1.503 ( 3.019 3.114 -2.830) 5.179 1.627 ( 2.535 0.892 4.040) 4.852 1.716 ( -3.657 -0.107 -1.773) 4.066 1.867 ( 1.128 -1.384 4.408) 4.756 1.941 ( -1.084 -1.770 2.322) 3.114 2.023 ( -0.661 -1.655 -2.472) 3.047 2.068 ( -0.432 -0.543 -0.844) 1.093 2.102 ( -0.197 1.739 -0.841) 1.942 2.133 ( -3.407 -1.152 0.701) 3.664 2.183 ( -2.366 0.244 4.939) 5.482 2.288 ( -5.199 1.822 0.244) 5.515 2.461 ( 0.208 2.579 -1.487) 2.984 2.578 ( 3.578 -2.512 4.242) 6.092 2.654 ( -0.358 -2.082 -1.389) 2.528 2.822 ( -3.357 -0.441 -2.747) 4.360 2.842 ( 3.541 0.226 -2.352) 4.258 2.924 ( 0.179 1.430 2.439) 2.833 3.126 ( 1.775 2.002 -6.628) 7.147 3.181 ( -2.818 -0.290 5.343) 6.048 3.251 ( 2.294 0.057 -4.054) 4.658 3.396 ( 4.046 5.227 2.074) 6.928 3.468 ( -3.737 -2.982 0.359) 4.795 3.618 ( 1.081 1.686 -0.792) 2.153 3.683 ( -0.618 -5.507 -1.975) 5.883 3.849 ( 2.481 5.201 -0.975) 5.845 3.857 ( 0.452 1.638 0.375) 1.740 4.043 ( 0.950 -1.446 -0.878) 1.940 4.083 ( 1.307 -0.093 1.181) 1.764 4.158 ( 1.356 0.605 -0.030) 1.485 4.291 ( -0.582 -0.213 0.814) 1.024 4.937 ( 1.556 0.007 -1.103) 1.908 5.039 ( -0.638 0.681 0.610) 1.115 5.076 ( 1.901 0.700 -0.320) 2.050 5.151 ( -0.791 -0.843 -0.285) 1.191 5.283 ( 1.322 1.724 3.130) 3.810 5.358 ( -0.293 0.410 -1.050) 1.164 5.384 ( 0.733 -0.145 -1.109) 1.337 5.423 ( 0.990 -2.319 1.442) 2.904 6.353 ( -1.209 0.445 0.201) 1.304 6.489 ( 0.048 0.854 0.143) 0.867 6.502 ( 1.056 -0.143 -2.305) 2.540 6.578 ( 1.021 -0.082 0.508) 1.144 6.815 ( -0.530 0.236 -0.360) 0.683 6.885 ( -1.506 -1.526 -0.102) 2.146 6.958 ( -0.662 -0.451 -0.626) 1.017 7.232 ( -1.426 0.859 1.379) 2.161 ======================= Grid point 22 (16/78) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -1.210 4.783 0.358) 4.946 0.913 ( -2.026 0.736 -1.787) 2.801 0.944 ( 1.475 2.428 -3.484) 4.495 1.231 ( 3.127 -0.427 0.307) 3.171 1.260 ( 1.321 1.711 -0.669) 2.262 1.317 ( 0.886 -0.007 0.907) 1.268 1.442 ( -4.758 -2.178 0.112) 5.234 1.475 ( 5.288 1.660 -1.524) 5.748 1.527 ( 5.173 0.988 0.377) 5.280 1.641 ( 0.515 1.635 1.574) 2.327 1.692 ( -2.203 -2.299 1.969) 3.744 1.876 ( 0.881 4.614 2.288) 5.225 1.936 ( -5.134 2.701 1.936) 6.116 1.987 ( 0.085 2.416 0.293) 2.435 2.057 ( -3.070 0.332 -2.256) 3.825 2.104 ( 0.194 -5.625 -0.715) 5.673 2.133 ( -1.364 -2.923 -0.950) 3.362 2.148 ( -1.653 0.454 1.198) 2.091 2.257 ( -0.311 -1.953 1.463) 2.460 2.406 ( -1.078 3.446 -1.589) 3.944 2.660 ( 1.623 -0.981 3.246) 3.759 2.708 ( -0.011 -5.329 0.216) 5.334 2.797 ( -0.935 -0.835 -1.608) 2.039 2.842 ( 2.393 2.777 -2.077) 4.213 2.947 ( 1.324 -0.896 0.664) 1.731 3.080 ( 0.409 2.957 -2.704) 4.028 3.151 ( -2.604 2.119 2.044) 3.930 3.285 ( 3.971 -1.748 -1.694) 4.658 3.332 ( 1.799 7.454 -0.594) 7.691 3.491 ( -3.601 -4.915 0.299) 6.101 3.632 ( 1.911 -1.053 1.787) 2.820 3.707 ( -1.529 1.732 -1.973) 3.038 3.827 ( 1.581 -2.097 -0.002) 2.627 3.851 ( 1.617 1.805 0.034) 2.424 4.037 ( -0.717 2.451 -0.291) 2.570 4.090 ( 1.017 2.105 2.986) 3.793 4.130 ( -1.408 1.556 -1.491) 2.574 4.294 ( -0.441 -1.023 -0.599) 1.265 4.945 ( 0.756 0.250 -0.514) 0.948 5.019 ( -0.074 1.914 0.028) 1.916 5.086 ( 1.362 0.115 0.364) 1.415 5.145 ( -1.002 0.039 -0.708) 1.228 5.277 ( 0.495 1.295 1.654) 2.158 5.348 ( -0.290 -0.474 -0.996) 1.140 5.391 ( 0.509 -0.201 -0.265) 0.608 5.506 ( 3.087 -3.948 1.827) 5.334 6.331 ( -0.932 0.415 -1.046) 1.461 6.472 ( -0.102 1.264 -0.193) 1.283 6.524 ( 2.432 -0.619 -1.058) 2.723 6.583 ( -0.719 0.132 0.954) 1.201 6.809 ( -0.107 -0.456 -0.465) 0.660 6.885 ( -1.540 -0.627 0.061) 1.663 6.961 ( 0.145 -0.496 -0.415) 0.663 7.211 ( -1.330 0.414 1.140) 1.800 ======================= Grid point 23 (17/78) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 0.000 5.812 0.000) 5.812 0.864 ( 0.000 5.089 0.000) 5.089 0.887 ( 0.000 4.661 0.000) 4.661 1.172 ( 0.000 9.266 0.000) 9.266 1.247 ( 0.000 0.787 0.000) 0.787 1.358 ( -0.000 -3.300 -0.000) 3.300 1.455 ( -0.000 -1.858 -0.000) 1.858 1.526 ( -0.000 -4.057 -0.000) 4.057 1.556 ( -0.000 -0.459 -0.000) 0.459 1.614 ( 0.000 0.979 0.000) 0.979 1.686 ( 0.000 6.319 0.000) 6.319 1.766 ( 0.000 3.950 0.000) 3.950 1.851 ( 0.000 1.681 0.000) 1.681 2.018 ( -0.000 -0.550 -0.000) 0.550 2.046 ( -0.000 -4.115 -0.000) 4.115 2.135 ( 0.000 1.134 0.000) 1.134 2.161 ( -0.000 -1.949 -0.000) 1.949 2.205 ( -0.000 -6.143 -0.000) 6.143 2.311 ( -0.000 -4.530 -0.000) 4.530 2.367 ( -0.000 -0.703 -0.000) 0.703 2.674 ( 0.000 1.073 0.000) 1.073 2.782 ( -0.000 -2.936 -0.000) 2.936 2.791 ( 0.000 1.232 0.000) 1.232 2.807 ( 0.000 1.474 0.000) 1.474 2.956 ( 0.000 0.583 0.000) 0.583 3.046 ( 0.000 0.912 0.000) 0.912 3.087 ( 0.000 4.205 0.000) 4.205 3.229 ( 0.000 6.399 0.000) 6.399 3.355 ( -0.000 -3.553 -0.000) 3.553 3.552 ( -0.000 -5.984 -0.000) 5.984 3.609 ( 0.000 7.478 0.000) 7.478 3.693 ( -0.000 -3.970 -0.000) 3.970 3.826 ( 0.000 2.857 0.000) 2.857 3.906 ( -0.000 -5.733 -0.000) 5.733 3.965 ( 0.000 5.519 0.000) 5.519 4.051 ( 0.000 4.065 0.000) 4.065 4.097 ( 0.000 1.768 0.000) 1.768 4.304 ( -0.000 -0.763 -0.000) 0.763 4.943 ( 0.000 0.469 0.000) 0.469 4.978 ( 0.000 3.198 0.000) 3.198 5.102 ( -0.000 -0.507 -0.000) 0.507 5.130 ( 0.000 0.476 0.000) 0.476 5.267 ( 0.000 0.916 0.000) 0.916 5.357 ( -0.000 -0.895 -0.000) 0.895 5.398 ( -0.000 -0.377 -0.000) 0.377 5.596 ( -0.000 -4.686 -0.000) 4.686 6.319 ( 0.000 0.191 0.000) 0.191 6.450 ( 0.000 1.368 0.000) 1.368 6.557 ( -0.000 -0.880 -0.000) 0.880 6.561 ( 0.000 1.045 0.000) 1.045 6.826 ( -0.000 -1.318 -0.000) 1.318 6.876 ( 0.000 0.255 0.000) 0.255 6.968 ( -0.000 -0.189 -0.000) 0.189 7.204 ( -0.000 -0.372 -0.000) 0.372 ======================= Grid point 28 (18/78) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 2.071 0.000 -7.598) 7.876 0.903 ( 6.684 0.000 -1.242) 6.798 1.013 ( -3.137 -0.000 1.733) 3.584 1.145 ( 4.863 0.000 -2.531) 5.482 1.297 ( -3.305 -0.000 -3.340) 4.699 1.397 ( 2.036 0.000 5.982) 6.319 1.446 ( -0.423 -0.000 -0.435) 0.607 1.459 ( -6.590 -0.000 1.893) 6.857 1.647 ( 3.481 0.000 5.588) 6.584 1.649 ( 8.853 0.000 -0.045) 8.853 1.666 ( 1.581 0.000 -2.898) 3.301 1.863 ( 1.573 0.000 -0.049) 1.574 1.906 ( -2.072 -0.000 1.626) 2.633 1.973 ( 5.269 0.000 1.327) 5.433 2.007 ( -1.483 -0.000 -4.453) 4.693 2.114 ( 0.600 0.000 3.454) 3.506 2.130 ( -1.688 -0.000 2.069) 2.670 2.207 ( -3.976 -0.000 0.844) 4.065 2.305 ( -0.827 -0.000 5.094) 5.161 2.521 ( 1.097 0.000 0.973) 1.466 2.584 ( -0.512 -0.000 -2.500) 2.552 2.610 ( -0.149 -0.000 -3.353) 3.357 2.808 ( 2.573 0.000 1.606) 3.033 2.812 ( -2.979 -0.000 -2.463) 3.865 3.000 ( -2.265 -0.000 2.689) 3.516 3.125 ( -6.238 -0.000 1.147) 6.342 3.188 ( 3.428 0.000 -5.815) 6.750 3.219 ( 1.247 0.000 -4.412) 4.584 3.442 ( -3.487 -0.000 2.415) 4.241 3.483 ( 3.464 0.000 4.139) 5.397 3.575 ( -2.468 -0.000 -1.046) 2.680 3.694 ( 5.700 0.000 -0.239) 5.705 3.858 ( 0.633 0.000 -0.277) 0.690 3.922 ( -0.111 -0.000 -4.082) 4.083 3.985 ( -3.949 -0.000 -1.815) 4.346 4.115 ( 3.987 0.000 -0.209) 3.992 4.167 ( 6.000 0.000 0.953) 6.075 4.286 ( 1.407 0.000 1.886) 2.354 4.938 ( 2.267 0.000 -1.190) 2.560 5.049 ( -2.888 -0.000 1.421) 3.218 5.084 ( 1.759 0.000 -0.980) 2.014 5.130 ( -0.484 -0.000 0.085) 0.491 5.331 ( 2.163 0.000 3.649) 4.242 5.350 ( -0.847 -0.000 1.638) 1.844 5.379 ( 0.424 0.000 -2.251) 2.291 5.390 ( -1.044 -0.000 -1.129) 1.538 6.364 ( -0.698 -0.000 1.913) 2.036 6.491 ( -2.749 -0.000 -2.952) 4.033 6.502 ( 0.541 0.000 -0.745) 0.921 6.586 ( 3.076 0.000 0.497) 3.116 6.823 ( -0.553 -0.000 -0.436) 0.704 6.850 ( -0.191 -0.000 -0.207) 0.281 6.946 ( -1.557 -0.000 -0.271) 1.580 7.254 ( -1.203 -0.000 1.057) 1.601 ======================= Grid point 29 (19/78) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -1.924 -3.875 -5.875) 7.296 0.930 ( 3.427 2.519 0.154) 4.256 1.017 ( -0.150 -0.100 1.885) 1.894 1.202 ( 3.381 -0.398 -3.110) 4.611 1.238 ( 1.104 0.654 -2.347) 2.675 1.377 ( -7.437 -1.344 3.091) 8.165 1.408 ( -0.782 2.878 0.663) 3.055 1.482 ( 3.329 -0.695 2.891) 4.463 1.631 ( -1.304 1.274 -2.882) 3.410 1.695 ( 3.906 1.284 3.862) 5.641 1.726 ( 7.057 2.965 -2.697) 8.116 1.837 ( -3.118 -0.344 3.503) 4.702 1.936 ( 0.271 -2.479 1.501) 2.911 1.985 ( -0.256 -0.372 -2.492) 2.532 2.018 ( -1.303 -2.383 -1.719) 3.215 2.120 ( -0.485 1.006 1.457) 1.836 2.138 ( -0.087 2.431 -0.918) 2.600 2.183 ( 0.976 -1.100 4.787) 5.008 2.293 ( -1.760 3.977 1.262) 4.529 2.508 ( 0.107 3.467 -1.408) 3.744 2.563 ( 0.122 -2.750 1.352) 3.067 2.643 ( 2.445 -2.203 -0.557) 3.337 2.752 ( -5.247 -0.249 -3.339) 6.225 2.870 ( 4.543 -1.180 0.973) 4.794 2.951 ( -2.110 1.926 1.680) 3.314 3.109 ( -3.484 -2.941 -0.030) 4.559 3.172 ( 1.464 2.279 -2.506) 3.690 3.250 ( 1.700 -1.627 -2.566) 3.482 3.413 ( -2.505 -0.239 1.964) 3.192 3.504 ( 1.954 2.781 2.376) 4.147 3.568 ( -1.625 -3.035 -1.965) 3.963 3.722 ( 4.285 4.544 -0.083) 6.247 3.866 ( -1.344 0.791 -0.255) 1.580 3.893 ( 0.304 -1.025 -0.387) 1.137 3.987 ( -1.442 -4.526 -2.200) 5.235 4.124 ( 2.203 2.663 -0.061) 3.456 4.207 ( 2.433 1.861 0.739) 3.151 4.298 ( 0.281 0.466 0.826) 0.989 4.955 ( 1.648 0.330 -0.830) 1.875 5.029 ( -1.584 -0.446 0.900) 1.876 5.097 ( 1.038 0.217 -0.455) 1.154 5.131 ( -0.432 -0.653 -0.013) 0.783 5.324 ( -0.192 1.665 2.688) 3.168 5.349 ( -0.828 0.431 -1.526) 1.789 5.384 ( -0.221 -0.531 -0.506) 0.766 5.408 ( 2.053 -2.253 0.650) 3.117 6.354 ( -0.625 0.951 0.382) 1.201 6.473 ( -1.208 -1.906 -1.265) 2.586 6.501 ( 0.283 0.518 -0.485) 0.764 6.607 ( 1.725 0.857 0.281) 1.946 6.813 ( -0.577 0.427 -0.248) 0.760 6.856 ( -0.121 -0.818 -0.131) 0.837 6.939 ( -0.681 -0.716 -0.043) 0.990 7.239 ( -0.719 0.887 0.733) 1.357 ======================= Grid point 30 (20/78) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -0.000 -2.837 -0.000) 2.837 0.910 ( 0.000 3.246 0.000) 3.246 0.991 ( 0.000 2.240 0.000) 2.240 1.203 ( -0.000 -1.631 -0.000) 1.631 1.301 ( -0.000 -1.020 -0.000) 1.020 1.354 ( 0.000 3.443 0.000) 3.443 1.355 ( -0.000 -3.338 -0.000) 3.338 1.507 ( 0.000 0.730 0.000) 0.730 1.618 ( -0.000 -1.379 -0.000) 1.379 1.669 ( 0.000 7.645 0.000) 7.645 1.698 ( 0.000 1.856 0.000) 1.856 1.871 ( -0.000 -4.428 -0.000) 4.428 1.964 ( 0.000 3.293 0.000) 3.293 1.995 ( -0.000 -4.678 -0.000) 4.678 2.045 ( -0.000 -1.717 -0.000) 1.717 2.081 ( 0.000 4.926 0.000) 4.926 2.106 ( -0.000 -0.363 -0.000) 0.363 2.157 ( 0.000 5.888 0.000) 5.888 2.235 ( -0.000 -1.577 -0.000) 1.577 2.460 ( 0.000 3.663 0.000) 3.663 2.630 ( -0.000 -4.823 -0.000) 4.823 2.672 ( 0.000 0.687 0.000) 0.687 2.748 ( -0.000 -3.843 -0.000) 3.843 2.892 ( 0.000 2.290 0.000) 2.290 2.941 ( -0.000 -1.126 -0.000) 1.126 3.131 ( 0.000 3.248 0.000) 3.248 3.132 ( -0.000 -2.253 -0.000) 2.253 3.278 ( -0.000 -1.510 -0.000) 1.510 3.418 ( -0.000 -1.869 -0.000) 1.869 3.451 ( 0.000 6.127 0.000) 6.127 3.628 ( -0.000 -5.912 -0.000) 5.912 3.667 ( 0.000 3.527 0.000) 3.527 3.852 ( 0.000 0.618 0.000) 0.618 3.899 ( 0.000 2.247 0.000) 2.247 4.035 ( -0.000 -2.241 -0.000) 2.241 4.104 ( 0.000 0.650 0.000) 0.650 4.174 ( 0.000 3.704 0.000) 3.704 4.289 ( 0.000 0.649 0.000) 0.649 4.955 ( 0.000 0.534 0.000) 0.534 5.031 ( -0.000 -0.174 -0.000) 0.174 5.096 ( 0.000 0.302 0.000) 0.302 5.137 ( -0.000 -0.343 -0.000) 0.343 5.304 ( 0.000 1.587 0.000) 1.587 5.337 ( -0.000 -0.183 -0.000) 0.183 5.390 ( -0.000 -0.373 -0.000) 0.373 5.469 ( -0.000 -3.530 -0.000) 3.530 6.334 ( 0.000 0.928 0.000) 0.928 6.489 ( 0.000 1.035 0.000) 1.035 6.504 ( -0.000 -2.612 -0.000) 2.612 6.600 ( 0.000 1.347 0.000) 1.347 6.802 ( 0.000 0.092 0.000) 0.092 6.867 ( -0.000 -0.741 -0.000) 0.741 6.949 ( -0.000 -0.939 -0.000) 0.939 7.220 ( 0.000 1.169 0.000) 1.169 ======================= Grid point 38 (21/78) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.000 0.000 0.000) 0.000 0.965 ( 0.000 0.000 0.000) 0.000 1.024 ( 0.000 0.000 0.000) 0.000 1.230 ( 0.000 0.000 0.000) 0.000 1.254 ( 0.000 0.000 -0.000) 0.000 1.294 ( -0.000 -0.000 0.000) 0.000 1.435 ( 0.000 0.000 -0.000) 0.000 1.510 ( 0.000 0.000 0.000) 0.000 1.607 ( 0.000 0.000 -0.000) 0.000 1.751 ( 0.000 0.000 0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 -0.000) 0.000 1.956 ( 0.000 0.000 -0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.149 ( -0.000 -0.000 -0.000) 0.000 2.190 ( -0.000 -0.000 -0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.537 ( -0.000 -0.000 -0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 2.920 ( -0.000 -0.000 -0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 -0.000) 0.000 3.210 ( 0.000 0.000 -0.000) 0.000 3.228 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.531 ( 0.000 0.000 -0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.829 ( -0.000 -0.000 0.000) 0.000 3.864 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 -0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 4.162 ( 0.000 0.000 0.000) 0.000 4.242 ( 0.000 0.000 0.000) 0.000 4.306 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 -0.000) 0.000 5.104 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 -0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 -0.000) 0.000 5.372 ( 0.000 0.000 0.000) 0.000 5.400 ( 0.000 0.000 -0.000) 0.000 6.363 ( 0.000 0.000 0.000) 0.000 6.442 ( 0.000 0.000 0.000) 0.000 6.505 ( 0.000 0.000 -0.000) 0.000 6.625 ( 0.000 0.000 0.000) 0.000 6.814 ( 0.000 0.000 0.000) 0.000 6.851 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 7.244 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 67 (22/78) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( -5.197 -0.000 15.358) 16.213 0.378 ( -1.937 -0.000 16.296) 16.411 0.752 ( 1.799 0.000 31.229) 31.281 0.974 ( 1.194 0.000 -8.585) 8.667 0.991 ( 2.846 0.000 -10.048) 10.443 1.192 ( 1.140 0.000 4.988) 5.117 1.373 ( -1.272 -0.000 -3.308) 3.544 1.449 ( 0.099 0.000 1.985) 1.988 1.617 ( 0.991 0.000 -0.596) 1.156 1.719 ( -2.595 -0.000 -5.686) 6.250 1.765 ( -0.689 -0.000 1.868) 1.991 1.791 ( -1.664 -0.000 0.258) 1.684 2.014 ( 0.594 0.000 -0.144) 0.611 2.048 ( 3.107 0.000 -2.545) 4.016 2.090 ( -1.826 -0.000 2.198) 2.857 2.199 ( -2.514 -0.000 0.652) 2.597 2.256 ( -0.350 -0.000 1.149) 1.201 2.352 ( -2.029 -0.000 -0.355) 2.060 2.428 ( 2.116 0.000 0.816) 2.267 2.456 ( 6.371 0.000 -5.701) 8.550 2.586 ( -0.888 -0.000 -1.329) 1.598 2.675 ( -0.354 -0.000 -2.276) 2.304 2.796 ( -3.144 -0.000 6.497) 7.217 2.824 ( 11.398 0.000 2.034) 11.578 2.934 ( -1.409 -0.000 -1.204) 1.853 2.991 ( 5.206 0.000 -2.634) 5.834 3.063 ( -8.677 -0.000 -2.398) 9.003 3.068 ( 1.145 0.000 -5.114) 5.241 3.426 ( 0.263 0.000 2.093) 2.109 3.493 ( 0.647 0.000 -2.987) 3.056 3.654 ( -1.064 -0.000 0.826) 1.347 3.672 ( 1.292 0.000 2.153) 2.511 3.678 ( 4.000 0.000 1.698) 4.345 3.835 ( -0.486 -0.000 -3.545) 3.578 3.955 ( 6.484 0.000 0.144) 6.486 3.968 ( -3.566 -0.000 1.851) 4.018 4.007 ( 0.525 0.000 1.717) 1.795 4.100 ( -8.203 -0.000 0.079) 8.203 4.883 ( -1.218 -0.000 -0.247) 1.243 4.903 ( 5.274 0.000 -0.593) 5.307 5.067 ( 0.560 0.000 -0.634) 0.846 5.096 ( 0.312 0.000 -2.240) 2.262 5.171 ( -0.121 -0.000 2.524) 2.527 5.249 ( 2.378 0.000 0.196) 2.386 5.389 ( 0.382 0.000 -0.242) 0.452 5.416 ( 0.071 0.000 -0.963) 0.965 6.426 ( -0.222 -0.000 2.253) 2.264 6.508 ( -1.643 -0.000 0.734) 1.799 6.576 ( -0.454 -0.000 0.443) 0.635 6.683 ( 12.334 0.000 -1.805) 12.465 6.869 ( 0.058 0.000 1.206) 1.207 6.887 ( 0.667 0.000 0.318) 0.739 7.015 ( -9.917 -0.000 1.389) 10.014 7.140 ( -1.614 -0.000 -2.639) 3.093 ======================= Grid point 68 (23/78) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 2.509 -5.497 12.136) 13.557 0.511 ( 1.041 -8.566 11.976) 14.761 0.935 ( 4.009 -2.578 5.030) 6.930 0.982 ( 6.219 0.137 0.716) 6.262 0.997 ( 3.957 -2.154 1.876) 4.880 1.285 ( 2.724 -5.858 3.617) 7.404 1.347 ( -0.836 0.701 -2.463) 2.694 1.474 ( 1.173 -1.931 2.127) 3.103 1.603 ( -0.364 1.795 -1.418) 2.316 1.630 ( -5.041 2.085 -5.872) 8.015 1.750 ( -1.784 2.181 0.714) 2.907 1.763 ( 1.016 1.119 -0.841) 1.730 2.002 ( -0.640 2.406 0.372) 2.517 2.036 ( -0.967 0.327 0.438) 1.111 2.091 ( -2.973 -1.648 -0.529) 3.441 2.162 ( -1.145 0.660 0.443) 1.394 2.251 ( -0.182 0.198 0.831) 0.873 2.375 ( -0.495 -3.272 -0.996) 3.456 2.420 ( -0.393 2.485 1.598) 2.981 2.487 ( 2.393 1.296 -3.510) 4.442 2.580 ( 0.718 -0.349 -0.967) 1.254 2.678 ( 0.575 -0.108 -3.396) 3.446 2.743 ( -2.576 3.116 4.061) 5.730 2.905 ( -0.355 -1.957 0.350) 2.019 2.937 ( -0.302 -1.973 -1.710) 2.629 2.989 ( 1.032 2.747 -3.165) 4.316 3.046 ( 5.579 1.179 -1.307) 5.850 3.097 ( 3.720 -1.927 -1.944) 4.619 3.441 ( 3.196 3.661 -0.631) 4.901 3.452 ( 0.458 1.249 -0.525) 1.430 3.648 ( -4.669 -2.062 0.618) 5.142 3.705 ( 2.719 -1.394 1.379) 3.352 3.767 ( 4.179 -2.200 -3.047) 5.620 3.807 ( -2.302 0.399 -2.542) 3.452 3.936 ( -0.498 0.206 0.118) 0.551 3.975 ( 1.479 0.317 2.403) 2.840 4.046 ( -2.589 -1.951 2.419) 4.045 4.160 ( 3.706 -8.305 -1.896) 9.290 4.877 ( -0.760 -0.831 -0.769) 1.363 4.924 ( 3.475 2.190 -0.589) 4.149 5.083 ( -0.122 0.347 -1.831) 1.867 5.137 ( 0.676 -2.656 -1.904) 3.337 5.190 ( 0.420 -1.565 0.870) 1.839 5.310 ( 5.448 -3.336 -5.493) 8.425 5.388 ( 0.199 0.243 -0.071) 0.322 5.412 ( -0.072 -0.045 -1.038) 1.041 6.439 ( 0.643 -0.235 2.275) 2.376 6.492 ( -1.308 0.249 0.747) 1.527 6.565 ( -0.950 0.436 -0.245) 1.074 6.656 ( -4.264 4.636 1.456) 6.465 6.862 ( -0.973 0.447 0.945) 1.428 6.901 ( 1.100 -0.395 0.234) 1.192 7.010 ( 3.356 1.018 2.351) 4.222 7.128 ( -0.079 -1.978 -3.723) 4.217 ======================= Grid point 69 (24/78) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 3.989 -4.742 8.704) 10.684 0.664 ( -0.708 -6.903 5.348) 8.761 0.957 ( 4.594 -0.829 -8.176) 9.414 1.082 ( 3.881 -6.435 -5.066) 9.063 1.150 ( 5.426 -1.843 14.180) 15.294 1.292 ( -3.119 2.492 -0.274) 4.002 1.383 ( -0.925 -2.118 0.787) 2.441 1.482 ( -3.863 3.065 0.307) 4.941 1.581 ( 0.856 0.007 -2.928) 3.051 1.607 ( 1.067 -4.152 -0.968) 4.394 1.721 ( 4.275 0.072 1.918) 4.686 1.756 ( 3.067 2.190 -1.649) 4.113 1.934 ( -2.254 3.815 2.193) 4.944 2.038 ( -1.145 -1.236 -0.040) 1.685 2.085 ( -0.800 -0.886 -0.210) 1.212 2.152 ( -1.162 -0.129 0.366) 1.225 2.249 ( 0.271 0.280 -0.154) 0.419 2.370 ( -1.851 2.109 2.260) 3.603 2.409 ( -2.807 -2.211 0.424) 3.598 2.444 ( 0.517 4.516 -0.343) 4.559 2.604 ( 1.288 -2.053 -2.685) 3.617 2.635 ( 0.626 3.427 -2.996) 4.595 2.731 ( -0.755 -1.704 2.332) 2.985 2.924 ( -2.909 -2.277 -1.500) 3.987 2.932 ( -2.065 1.347 -1.494) 2.883 2.963 ( 1.307 -0.328 -4.963) 5.143 3.074 ( 6.470 2.767 -0.262) 7.042 3.177 ( 4.412 -1.887 2.823) 5.568 3.394 ( -1.549 3.601 -0.166) 3.923 3.444 ( 2.151 0.969 -0.589) 2.432 3.656 ( -3.557 -3.720 1.045) 5.252 3.716 ( -2.490 0.850 -4.624) 5.320 3.764 ( 0.958 -2.532 0.508) 2.754 3.852 ( 3.096 -0.388 1.309) 3.384 3.930 ( 2.540 2.398 1.421) 3.771 4.020 ( 1.560 -3.784 -0.837) 4.178 4.072 ( -1.170 -1.966 1.422) 2.694 4.283 ( 2.303 -4.494 -2.804) 5.776 4.885 ( -0.124 -1.008 -1.016) 1.437 4.935 ( 2.450 0.385 0.551) 2.541 5.069 ( -0.215 0.439 -1.034) 1.144 5.146 ( -0.619 0.220 0.403) 0.771 5.215 ( 0.491 -0.835 0.065) 0.971 5.354 ( 0.418 -0.073 -3.437) 3.463 5.392 ( 0.351 -0.096 -2.491) 2.517 5.422 ( 1.315 -1.287 -2.371) 3.002 6.451 ( 0.008 0.436 1.120) 1.202 6.478 ( -0.795 0.675 1.547) 1.866 6.537 ( -3.014 1.420 3.182) 4.607 6.578 ( -1.642 0.407 -0.816) 1.878 6.845 ( -1.032 0.616 0.450) 1.283 6.920 ( 0.871 -0.411 0.250) 0.994 6.992 ( -1.356 1.689 -0.229) 2.178 7.179 ( 4.400 -1.312 -1.403) 4.801 ======================= Grid point 70 (25/78) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 3.382 -1.552 6.870) 7.813 0.759 ( -0.676 -5.315 0.477) 5.379 1.012 ( 3.173 -3.780 -7.684) 9.132 1.177 ( -1.332 -3.283 -0.178) 3.548 1.214 ( -3.514 1.681 -2.368) 4.559 1.265 ( 5.413 -1.623 6.329) 8.485 1.361 ( -2.466 0.190 -1.648) 2.972 1.434 ( -0.769 1.289 5.625) 5.822 1.574 ( -0.808 0.426 -1.421) 1.689 1.604 ( -0.508 -0.002 -2.531) 2.582 1.735 ( 3.400 3.859 -0.719) 5.193 1.845 ( 0.166 -1.190 0.767) 1.426 1.907 ( 6.341 -1.099 3.004) 7.103 2.029 ( -1.171 0.740 -2.136) 2.546 2.101 ( 0.956 -0.786 0.887) 1.522 2.138 ( -1.036 0.449 1.059) 1.548 2.250 ( 0.660 -0.445 0.071) 0.799 2.320 ( -3.463 4.794 3.582) 6.914 2.346 ( -2.881 -0.175 2.221) 3.642 2.463 ( 3.104 -1.786 -0.295) 3.593 2.587 ( 0.132 3.060 -2.376) 3.876 2.644 ( 1.056 -2.295 -3.929) 4.671 2.763 ( -0.639 -1.762 1.317) 2.291 2.854 ( -1.962 3.292 -3.332) 5.078 2.902 ( -4.142 -0.375 0.217) 4.165 2.972 ( 1.464 -1.591 -5.269) 5.695 3.109 ( 5.769 1.327 -0.205) 5.923 3.230 ( 0.504 0.479 0.190) 0.721 3.310 ( -4.049 2.473 1.386) 4.942 3.490 ( 2.713 -2.786 0.870) 3.984 3.652 ( -1.771 -1.026 2.955) 3.594 3.728 ( -0.836 -3.995 -3.288) 5.241 3.772 ( 0.129 2.403 1.722) 2.959 3.881 ( 1.004 -0.693 2.147) 2.469 3.955 ( 2.360 -1.384 -0.911) 2.884 4.061 ( 0.416 1.677 1.832) 2.518 4.106 ( 1.880 -3.276 -2.213) 4.378 4.324 ( -0.143 -0.785 -3.804) 3.887 4.894 ( 0.078 -0.690 -1.034) 1.245 4.962 ( 1.205 -0.401 1.148) 1.712 5.067 ( 0.529 -0.427 -0.298) 0.742 5.133 ( 0.022 0.748 -0.065) 0.751 5.228 ( 0.392 -0.205 0.338) 0.557 5.338 ( -0.192 0.620 -1.589) 1.717 5.381 ( -0.406 0.094 -2.393) 2.429 5.437 ( 0.428 -0.339 -1.037) 1.172 6.436 ( -1.749 1.575 2.372) 3.342 6.452 ( -0.910 1.043 -0.564) 1.495 6.499 ( -2.310 -0.020 0.469) 2.357 6.586 ( 0.680 -0.968 1.014) 1.558 6.828 ( -0.496 0.555 -0.088) 0.749 6.931 ( 0.280 -0.043 0.191) 0.342 6.959 ( -0.938 0.467 -0.578) 1.197 7.233 ( 3.123 -0.612 0.076) 3.183 ======================= Grid point 71 (26/78) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 0.120 2.341 7.427) 7.788 0.801 ( -0.835 -1.947 -3.186) 3.826 1.020 ( -5.647 1.858 -2.809) 6.575 1.146 ( -2.429 -0.747 -6.760) 7.222 1.211 ( 2.512 -1.908 2.178) 3.834 1.297 ( -2.002 2.378 1.278) 3.360 1.386 ( 4.116 -2.564 1.333) 5.029 1.454 ( 0.087 -1.754 4.122) 4.481 1.541 ( -2.034 0.783 1.210) 2.493 1.617 ( 1.991 -1.521 -3.826) 4.573 1.712 ( 3.780 3.553 -0.902) 5.265 1.835 ( -1.284 0.195 2.248) 2.597 1.963 ( 0.340 3.224 -1.272) 3.483 2.016 ( 1.833 -0.994 -0.234) 2.098 2.097 ( 0.334 2.205 -0.055) 2.231 2.163 ( 0.013 -3.257 3.483) 4.768 2.239 ( -1.419 3.336 5.855) 6.887 2.303 ( 0.218 -3.426 0.428) 3.460 2.331 ( -3.616 -1.138 2.428) 4.501 2.485 ( -5.776 4.201 -1.641) 7.328 2.518 ( 6.198 1.481 -3.707) 7.372 2.654 ( 1.522 -0.119 -4.223) 4.491 2.764 ( 1.264 -0.868 -5.803) 6.002 2.839 ( -0.638 -2.223 0.307) 2.333 2.864 ( -2.100 0.964 1.515) 2.763 3.022 ( 3.089 -2.629 -0.597) 4.100 3.151 ( 2.717 -0.519 -1.258) 3.039 3.187 ( -3.551 1.676 -1.063) 4.068 3.244 ( -1.937 1.465 -0.036) 2.429 3.542 ( 0.700 -0.434 0.835) 1.173 3.686 ( -1.972 -1.635 1.014) 2.755 3.730 ( -1.105 -2.499 2.969) 4.035 3.797 ( 2.715 -1.341 2.122) 3.698 3.904 ( 0.051 -0.673 1.226) 1.399 3.979 ( -0.150 -0.098 -2.296) 2.303 4.031 ( 1.231 3.817 2.431) 4.690 4.156 ( 0.217 -1.649 -1.581) 2.294 4.284 ( -1.259 1.786 -5.623) 6.033 4.899 ( 0.013 -0.253 -0.942) 0.975 4.976 ( 0.117 0.037 0.958) 0.966 5.079 ( 0.099 -0.292 1.408) 1.442 5.130 ( 0.976 0.162 -2.215) 2.426 5.232 ( 0.727 0.689 0.886) 1.337 5.330 ( 0.570 -0.012 -0.839) 1.014 5.369 ( -0.256 -0.225 -2.269) 2.295 5.450 ( 1.422 -0.569 -0.244) 1.551 6.383 ( -2.542 1.830 1.167) 3.342 6.453 ( 0.922 -0.788 -0.689) 1.395 6.481 ( -1.599 0.012 0.313) 1.630 6.611 ( 0.551 -0.569 1.895) 2.053 6.818 ( -0.085 0.144 -0.480) 0.508 6.932 ( -0.288 -0.157 0.201) 0.385 6.951 ( -0.294 -0.467 -0.494) 0.741 7.264 ( 1.458 -0.018 0.439) 1.523 ======================= Grid point 72 (27/78) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -2.605 6.384 6.635) 9.568 0.770 ( -2.555 3.820 -7.948) 9.181 0.872 ( -8.094 3.568 7.915) 11.870 1.103 ( -2.466 1.229 -4.994) 5.703 1.234 ( -0.181 1.519 -0.438) 1.591 1.304 ( 2.636 -2.164 1.113) 3.588 1.457 ( -2.142 1.210 -0.930) 2.630 1.478 ( 3.668 -2.205 1.971) 4.712 1.561 ( 0.939 -3.588 3.802) 5.311 1.649 ( 0.520 -1.908 -3.037) 3.624 1.712 ( 3.313 2.077 0.506) 3.943 1.825 ( -1.802 -0.253 -1.349) 2.265 1.888 ( -5.552 6.476 -1.742) 8.706 1.963 ( -0.379 2.653 1.001) 2.861 2.094 ( 1.134 0.654 2.069) 2.448 2.200 ( 0.098 2.071 4.331) 4.802 2.232 ( 1.581 -3.104 0.524) 3.522 2.290 ( -3.810 -0.584 2.366) 4.523 2.370 ( 2.359 -2.111 2.081) 3.789 2.422 ( -3.321 -1.350 -1.225) 3.788 2.544 ( 5.465 0.390 -3.718) 6.622 2.672 ( 0.821 -1.097 -3.782) 4.023 2.781 ( 2.322 -0.266 -3.291) 4.036 2.851 ( -0.752 -1.041 1.356) 1.867 2.866 ( 0.766 -2.144 -1.794) 2.899 3.043 ( -2.154 2.391 -3.551) 4.793 3.107 ( -1.796 1.633 0.013) 2.427 3.163 ( -1.897 -0.901 0.956) 2.307 3.291 ( 4.235 -4.555 1.274) 6.348 3.528 ( -1.037 2.120 1.304) 2.696 3.674 ( -2.532 -1.190 -1.479) 3.164 3.773 ( -0.141 -0.677 0.988) 1.206 3.848 ( -0.372 -0.925 4.189) 4.306 3.916 ( -0.327 -0.069 0.055) 0.339 3.941 ( -1.339 1.527 -2.359) 3.113 3.997 ( 1.868 3.544 2.268) 4.603 4.111 ( -3.740 2.608 -1.477) 4.793 4.255 ( 0.916 0.209 -4.536) 4.632 4.895 ( -0.246 0.082 -0.797) 0.838 4.970 ( -1.043 0.443 0.840) 1.411 5.096 ( 1.051 -0.528 1.382) 1.814 5.125 ( -0.145 0.080 -1.813) 1.821 5.231 ( 1.351 1.200 0.655) 1.922 5.342 ( 1.239 -0.445 -0.672) 1.478 5.367 ( 0.475 -0.296 -2.786) 2.842 5.474 ( 2.414 0.271 -2.765) 3.680 6.349 ( -0.834 0.629 2.175) 2.412 6.463 ( -1.682 0.161 0.533) 1.771 6.485 ( 1.563 -1.543 0.341) 2.222 6.622 ( -0.036 0.376 0.974) 1.045 6.820 ( 0.242 -0.461 -0.255) 0.580 6.925 ( -0.724 0.536 0.278) 0.942 6.968 ( -0.197 -2.345 -0.516) 2.409 7.270 ( 0.162 0.283 -0.129) 0.351 ======================= Grid point 73 (28/78) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -2.333 9.522 7.675) 12.451 0.581 ( -7.321 8.102 0.865) 10.954 0.832 ( -4.152 0.265 10.560) 11.351 1.036 ( -2.700 1.457 -4.186) 5.190 1.191 ( -2.134 2.469 -4.871) 5.863 1.322 ( -2.824 6.617 4.786) 8.641 1.388 ( -0.767 -0.046 -2.713) 2.820 1.540 ( 2.037 -0.400 1.784) 2.737 1.578 ( -7.064 6.818 -1.729) 9.969 1.653 ( 2.098 -4.163 1.218) 4.818 1.687 ( 0.150 -2.774 0.280) 2.793 1.774 ( -1.090 -2.014 -0.516) 2.348 1.877 ( 3.796 -2.838 -2.045) 5.162 1.983 ( 4.464 0.579 1.007) 4.612 2.095 ( 0.347 0.828 1.898) 2.100 2.197 ( 0.303 0.311 1.287) 1.358 2.260 ( -1.907 0.714 2.931) 3.569 2.324 ( 4.635 -3.069 -1.065) 5.660 2.396 ( 0.858 0.773 -3.463) 3.651 2.439 ( 2.145 -0.474 3.267) 3.937 2.591 ( 1.261 -1.797 -1.239) 2.520 2.666 ( -3.443 -2.577 -3.023) 5.257 2.787 ( 1.679 1.434 2.120) 3.061 2.863 ( -3.893 1.431 -2.076) 4.638 2.878 ( 0.098 -0.981 -3.616) 3.748 2.998 ( 1.039 -3.564 -3.875) 5.366 3.069 ( -1.737 1.739 0.137) 2.462 3.166 ( -1.995 -1.176 2.370) 3.314 3.419 ( 3.621 -4.387 0.645) 5.725 3.486 ( -0.613 1.778 2.677) 3.271 3.632 ( -5.268 0.483 -5.437) 7.586 3.741 ( 0.948 5.337 1.985) 5.773 3.816 ( -2.001 2.839 -1.907) 3.963 3.890 ( -1.884 -1.230 -0.929) 2.434 3.910 ( -0.086 3.131 0.016) 3.133 4.006 ( 1.031 -0.627 2.562) 2.832 4.055 ( -1.266 0.995 1.458) 2.172 4.229 ( -0.116 1.811 -3.665) 4.089 4.887 ( -0.714 -0.105 -0.693) 1.001 4.947 ( -1.769 0.744 0.501) 1.983 5.106 ( -0.036 -0.070 -2.868) 2.869 5.135 ( 1.121 -0.648 2.738) 3.029 5.231 ( 1.720 1.319 0.439) 2.212 5.347 ( 1.112 2.081 -6.273) 6.702 5.367 ( 0.924 -0.402 -1.279) 1.628 5.452 ( 0.527 2.790 -4.793) 5.571 6.368 ( 2.166 -0.809 5.083) 5.584 6.445 ( -1.576 0.106 1.145) 1.951 6.526 ( 0.609 -1.324 1.834) 2.343 6.605 ( -0.377 1.401 -0.566) 1.557 6.837 ( 0.791 -1.010 0.364) 1.333 6.905 ( -1.072 0.869 0.294) 1.411 7.011 ( -0.754 -4.124 -0.607) 4.236 7.258 ( -1.038 0.383 -2.040) 2.321 ======================= Grid point 74 (29/78) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( -9.243 4.635 10.904) 15.027 0.425 ( -0.074 9.448 13.247) 16.271 0.775 ( -9.269 6.755 23.549) 26.193 0.988 ( -0.984 -1.697 -8.340) 8.567 1.046 ( -2.339 5.116 -10.606) 12.005 1.213 ( -0.130 4.708 5.011) 6.877 1.392 ( -1.111 -0.935 -2.335) 2.750 1.462 ( -1.115 2.515 0.612) 2.819 1.587 ( 1.907 -1.307 0.657) 2.403 1.720 ( -0.569 -2.417 0.911) 2.645 1.734 ( 1.737 -2.403 -1.422) 3.288 1.798 ( -1.055 -2.025 -1.235) 2.596 1.969 ( 3.967 -3.131 -0.352) 5.066 2.018 ( 3.238 0.720 -0.707) 3.391 2.099 ( 0.712 0.574 1.750) 1.975 2.200 ( -1.099 -1.016 0.904) 1.748 2.248 ( -0.139 0.327 2.160) 2.189 2.387 ( 0.046 -0.901 -0.061) 0.904 2.401 ( 4.132 0.417 -6.358) 7.594 2.441 ( 2.716 3.781 1.392) 4.859 2.599 ( -3.098 -1.856 -1.857) 4.061 2.690 ( 0.549 -2.879 0.494) 2.973 2.746 ( -2.200 3.570 -2.177) 4.724 2.802 ( 0.128 0.438 5.317) 5.337 2.914 ( 1.700 -2.218 -2.061) 3.472 3.010 ( -0.569 3.102 -1.243) 3.390 3.054 ( -1.312 -3.743 -5.011) 6.391 3.159 ( -4.701 -0.617 0.835) 4.814 3.427 ( -2.477 -0.046 0.825) 2.611 3.519 ( -5.403 -0.719 -4.064) 6.799 3.576 ( 5.716 -1.652 2.058) 6.296 3.690 ( 2.343 4.466 2.883) 5.809 3.734 ( -0.826 5.046 -2.085) 5.522 3.864 ( -1.033 1.154 -1.735) 2.326 3.899 ( -0.306 -1.625 -0.782) 1.829 3.999 ( 0.854 3.515 3.121) 4.777 4.045 ( -2.019 0.196 0.083) 2.030 4.185 ( -1.993 1.321 -3.092) 3.909 4.879 ( -0.584 -0.121 -0.483) 0.767 4.912 ( -1.987 1.161 -0.341) 2.326 5.097 ( 0.253 0.034 -2.572) 2.585 5.161 ( 1.120 0.488 1.909) 2.266 5.200 ( -0.293 10.625 -8.340) 13.510 5.238 ( -0.736 0.162 -0.225) 0.787 5.381 ( 0.799 -0.316 -0.373) 0.936 5.419 ( 0.033 0.320 -0.973) 1.025 6.426 ( -0.184 0.223 2.233) 2.252 6.476 ( 5.170 -3.357 4.902) 7.876 6.544 ( 1.096 0.177 2.731) 2.948 6.584 ( 0.934 0.927 -0.177) 1.328 6.863 ( 0.519 -0.759 0.826) 1.236 6.883 ( -0.692 0.478 0.282) 0.887 7.060 ( -4.055 -5.285 -1.399) 6.806 7.209 ( -2.970 2.204 -4.553) 5.866 ======================= Grid point 76 (30/78) ======================= q-point: ( 0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 7.974 0.000 9.800) 12.634 0.542 ( 7.005 0.000 12.921) 14.698 0.961 ( 3.548 0.000 -9.997) 10.607 0.975 ( 4.786 0.000 -3.480) 5.917 1.178 ( 12.313 0.000 16.362) 20.477 1.260 ( 1.536 0.000 3.078) 3.440 1.343 ( 0.448 0.000 -1.665) 1.724 1.466 ( 0.375 0.000 0.885) 0.961 1.579 ( -4.584 -0.000 -4.239) 6.243 1.606 ( -0.696 -0.000 -1.854) 1.980 1.741 ( -2.401 -0.000 2.448) 3.429 1.778 ( 1.006 0.000 -0.190) 1.024 2.013 ( -1.640 -0.000 0.174) 1.649 2.020 ( -4.087 -0.000 1.347) 4.303 2.026 ( -2.877 -0.000 -1.786) 3.386 2.147 ( -1.246 -0.000 -0.876) 1.523 2.246 ( -0.932 -0.000 0.263) 0.969 2.352 ( 1.079 0.000 -1.581) 1.914 2.432 ( -2.903 -0.000 3.711) 4.711 2.521 ( 2.535 0.000 -2.443) 3.521 2.578 ( 0.280 0.000 -1.766) 1.788 2.659 ( -1.162 -0.000 -2.315) 2.591 2.752 ( -2.305 -0.000 0.939) 2.489 2.838 ( -4.852 -0.000 -0.260) 4.859 2.914 ( 2.052 0.000 -5.719) 6.076 3.062 ( 3.955 0.000 -2.475) 4.665 3.104 ( 3.259 0.000 0.659) 3.325 3.134 ( 8.214 0.000 -1.426) 8.336 3.483 ( 2.029 0.000 1.504) 2.526 3.520 ( 2.518 0.000 -3.299) 4.150 3.581 ( -4.872 -0.000 1.106) 4.996 3.736 ( 3.307 0.000 -3.307) 4.677 3.752 ( 0.706 0.000 2.893) 2.978 3.824 ( 1.501 0.000 -4.972) 5.194 3.869 ( -0.018 -0.000 -1.264) 1.264 3.993 ( -1.882 -0.000 2.056) 2.787 4.071 ( 1.121 0.000 3.597) 3.767 4.127 ( 6.592 0.000 0.651) 6.624 4.866 ( 0.158 0.000 -0.561) 0.583 4.979 ( 2.535 0.000 -3.080) 3.989 5.116 ( 1.506 0.000 -1.993) 2.498 5.120 ( 4.467 0.000 0.153) 4.469 5.177 ( -1.024 -0.000 2.306) 2.523 5.321 ( 3.973 0.000 -4.784) 6.219 5.393 ( 0.168 0.000 0.301) 0.345 5.404 ( -0.496 -0.000 -1.350) 1.438 6.460 ( 1.822 0.000 2.454) 3.057 6.481 ( -1.178 -0.000 0.034) 1.178 6.555 ( -0.993 -0.000 -1.582) 1.867 6.612 ( -9.071 -0.000 4.274) 10.028 6.854 ( -1.345 -0.000 0.795) 1.562 6.898 ( -0.131 -0.000 0.674) 0.686 7.060 ( -3.563 -0.000 -1.968) 4.071 7.131 ( 9.181 0.000 -2.522) 9.521 ======================= Grid point 77 (31/78) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 4.265 -1.926 3.551) 5.874 0.676 ( 8.763 -1.078 9.850) 13.228 0.995 ( 3.768 0.543 -4.472) 5.873 1.017 ( 5.850 -3.292 -8.784) 11.056 1.254 ( 4.049 1.972 6.848) 8.196 1.303 ( -0.394 2.849 -0.567) 2.932 1.381 ( 3.008 -0.643 5.459) 6.266 1.488 ( -3.007 2.525 -1.029) 4.060 1.540 ( 1.584 -3.891 0.080) 4.202 1.595 ( 0.440 -0.362 0.231) 0.615 1.735 ( -0.811 -1.700 2.110) 2.828 1.800 ( 3.927 -0.054 -1.537) 4.218 1.962 ( -2.494 1.682 2.413) 3.856 1.998 ( -2.454 -1.817 0.948) 3.198 2.031 ( -1.605 -2.948 -2.466) 4.165 2.132 ( -1.229 -0.131 -0.597) 1.373 2.236 ( -1.622 -0.431 -0.098) 1.681 2.354 ( -0.416 -0.220 -3.492) 3.524 2.387 ( -4.419 1.997 4.414) 6.557 2.513 ( 0.351 2.728 2.467) 3.695 2.584 ( 1.063 -0.879 -3.404) 3.673 2.639 ( -2.301 -0.474 -1.164) 2.622 2.727 ( 0.253 0.447 0.010) 0.514 2.825 ( -2.678 -3.121 -1.834) 4.502 2.919 ( 2.224 0.190 -6.663) 7.026 3.037 ( 2.293 4.695 -0.491) 5.248 3.172 ( 4.863 -0.230 2.292) 5.381 3.211 ( 5.024 -0.687 -0.801) 5.134 3.424 ( -4.430 4.378 -0.766) 6.275 3.514 ( 2.565 2.396 -1.229) 3.718 3.588 ( 0.510 -2.224 3.359) 4.060 3.702 ( -2.706 1.705 -1.938) 3.740 3.763 ( 2.187 0.969 -0.337) 2.416 3.843 ( 1.616 -3.349 -2.606) 4.541 3.968 ( 5.917 -4.350 -1.425) 7.481 4.018 ( -0.299 -1.563 1.709) 2.335 4.041 ( 0.759 3.026 2.185) 3.809 4.233 ( 3.012 -4.083 -0.976) 5.167 4.875 ( 0.900 -0.471 -0.381) 1.085 4.985 ( 2.846 1.103 -1.378) 3.349 5.094 ( 1.259 2.299 -0.891) 2.768 5.159 ( 0.331 0.659 2.144) 2.268 5.202 ( 1.874 -1.609 -0.352) 2.495 5.344 ( 1.277 -0.695 -4.225) 4.468 5.384 ( -0.632 0.418 -1.636) 1.803 5.409 ( 0.376 -1.099 -0.450) 1.246 6.462 ( -0.690 0.638 -0.621) 1.126 6.489 ( 1.368 0.459 1.442) 2.040 6.526 ( -6.188 1.476 4.475) 7.777 6.550 ( -0.476 -1.137 -1.136) 1.676 6.841 ( -1.171 0.292 0.421) 1.278 6.906 ( -0.721 -1.283 0.591) 1.586 7.005 ( -2.157 1.591 -0.733) 2.779 7.205 ( 4.453 -0.657 -2.093) 4.964 ======================= Grid point 78 (32/78) ======================= q-point: ( 0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 3.353 -3.709 -2.168) 5.450 0.817 ( 9.310 0.691 7.481) 11.963 0.995 ( 0.710 0.566 -1.891) 2.098 1.104 ( 3.527 -3.613 -6.618) 8.324 1.219 ( -2.671 3.202 -0.845) 4.254 1.310 ( 3.561 -0.654 3.024) 4.717 1.384 ( 0.813 3.608 3.057) 4.798 1.452 ( -0.623 0.649 4.003) 4.103 1.551 ( -1.369 -0.039 -2.837) 3.151 1.609 ( 0.141 0.001 0.787) 0.799 1.783 ( -0.269 -1.761 1.063) 2.074 1.836 ( 2.687 0.264 -2.793) 3.885 1.961 ( 2.447 -0.338 2.448) 3.477 2.008 ( -1.487 -1.345 0.396) 2.043 2.065 ( -0.564 -3.546 -1.313) 3.823 2.127 ( -0.878 -0.576 0.218) 1.072 2.224 ( -2.378 -1.140 -0.772) 2.747 2.312 ( -2.922 1.565 -2.406) 4.096 2.343 ( -3.219 0.294 5.861) 6.693 2.494 ( 2.117 1.306 3.816) 4.556 2.583 ( -2.219 0.157 -1.273) 2.563 2.635 ( 1.537 -1.064 -2.570) 3.178 2.744 ( 0.207 -0.900 0.747) 1.187 2.830 ( -1.907 -0.986 -3.518) 4.121 2.880 ( -0.638 2.507 -6.572) 7.062 3.006 ( 3.742 2.355 -0.744) 4.484 3.194 ( 2.010 1.616 -3.063) 4.005 3.255 ( 1.722 1.204 2.387) 3.180 3.326 ( -1.147 3.750 1.099) 4.073 3.511 ( 2.142 0.261 0.632) 2.248 3.632 ( -0.215 -0.949 3.571) 3.702 3.681 ( 0.671 -1.505 -0.575) 1.745 3.784 ( 1.255 -0.553 1.220) 1.836 3.889 ( 0.015 -0.689 0.058) 0.691 3.981 ( 1.652 1.725 -0.461) 2.432 4.060 ( 0.622 -2.548 -2.113) 3.368 4.089 ( 3.906 -1.695 0.825) 4.337 4.287 ( -0.029 -1.511 -2.625) 3.029 4.891 ( 1.086 -0.296 -0.479) 1.223 5.001 ( 2.976 1.015 0.056) 3.145 5.078 ( 0.748 0.849 0.044) 1.133 5.152 ( -0.018 0.915 0.611) 1.101 5.238 ( 2.808 -0.058 -0.256) 2.820 5.341 ( 0.097 0.364 -1.497) 1.543 5.362 ( -1.200 -0.043 -2.670) 2.927 5.427 ( 0.175 -0.983 -0.192) 1.017 6.445 ( -2.477 0.651 -1.969) 3.231 6.446 ( -2.489 1.574 2.565) 3.905 6.492 ( 0.514 0.831 0.685) 1.193 6.580 ( 0.985 -1.426 1.512) 2.300 6.825 ( -0.904 0.278 -0.017) 0.946 6.919 ( -1.074 -1.227 0.363) 1.671 6.968 ( -0.480 1.213 -0.105) 1.309 7.240 ( 1.105 -0.880 -0.853) 1.650 ======================= Grid point 79 (33/78) ======================= q-point: ( 0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 2.886 -2.130 -3.113) 4.749 0.879 ( 5.886 4.899 4.976) 9.133 0.971 ( -5.399 0.694 1.735) 5.713 1.134 ( 4.980 1.617 -6.350) 8.230 1.205 ( 1.737 -2.625 1.494) 3.484 1.328 ( -0.824 2.789 0.623) 2.974 1.396 ( 2.521 -1.981 4.477) 5.507 1.441 ( -0.069 0.690 0.377) 0.789 1.527 ( -1.250 -0.029 -0.927) 1.557 1.613 ( 0.176 -0.509 -1.738) 1.819 1.781 ( -0.032 1.109 -0.682) 1.302 1.832 ( 0.459 1.425 -1.719) 2.279 1.994 ( -0.998 0.225 2.553) 2.750 2.016 ( 1.067 -1.220 -0.701) 1.766 2.105 ( -2.396 0.774 -1.286) 2.827 2.113 ( -0.183 -3.881 1.021) 4.017 2.223 ( -4.711 -2.506 1.307) 5.494 2.260 ( -2.747 -0.732 0.260) 2.855 2.315 ( -2.221 2.922 7.751) 8.576 2.475 ( -6.727 4.410 -0.022) 8.043 2.574 ( 6.001 -0.952 -3.647) 7.087 2.672 ( 3.751 -0.827 -3.595) 5.261 2.738 ( -0.742 -0.845 -3.864) 4.024 2.805 ( -0.465 -0.390 0.449) 0.755 2.863 ( 0.944 -1.161 -2.884) 3.249 3.040 ( 4.820 -0.212 1.245) 4.983 3.165 ( -2.254 0.552 -3.823) 4.472 3.236 ( 4.480 5.202 0.515) 6.884 3.267 ( -0.773 3.060 0.460) 3.189 3.550 ( 0.571 -1.449 1.220) 1.978 3.661 ( -0.204 -1.552 4.552) 4.814 3.696 ( -0.086 0.884 -0.308) 0.940 3.827 ( 1.682 -2.380 3.594) 4.627 3.873 ( -1.334 0.318 1.940) 2.376 3.998 ( 2.076 0.827 -2.657) 3.472 4.085 ( 1.122 -0.521 -0.457) 1.318 4.131 ( 0.811 -0.295 -0.752) 1.145 4.265 ( -1.529 0.888 -4.224) 4.579 4.904 ( 1.243 0.036 -0.666) 1.410 5.007 ( 1.675 1.800 0.407) 2.492 5.084 ( 0.787 -0.192 0.957) 1.254 5.139 ( -0.044 0.677 -1.172) 1.354 5.262 ( 2.445 0.874 -0.266) 2.610 5.334 ( 0.315 0.182 -0.092) 0.375 5.351 ( 0.067 -0.784 -2.727) 2.839 5.449 ( 1.196 -1.254 -0.306) 1.760 6.381 ( -2.973 1.347 1.224) 3.486 6.447 ( 0.687 -0.559 -1.226) 1.513 6.487 ( 0.706 1.054 0.988) 1.608 6.612 ( 0.382 -0.860 1.914) 2.132 6.813 ( -0.628 0.064 -0.377) 0.735 6.921 ( -1.166 -0.600 0.298) 1.345 6.955 ( 0.384 0.596 0.015) 0.709 7.252 ( -1.263 -1.129 -0.398) 1.741 ======================= Grid point 80 (34/78) ======================= q-point: (-0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 0.530 2.392 -4.608) 5.219 0.833 ( -1.525 6.322 3.704) 7.484 0.894 ( -0.388 4.869 7.844) 9.240 1.137 ( 4.611 4.071 -3.337) 6.998 1.266 ( -1.236 3.076 0.909) 3.437 1.291 ( 3.127 -3.263 -0.130) 4.522 1.447 ( 1.214 -0.404 -1.934) 2.319 1.475 ( 1.771 -3.402 2.533) 4.596 1.525 ( -0.390 -1.488 1.326) 2.031 1.613 ( -1.369 -1.125 -2.575) 3.126 1.777 ( 1.426 -0.851 -1.262) 2.086 1.790 ( -1.376 2.159 -2.593) 3.644 1.911 ( -9.619 8.588 -0.953) 12.930 1.998 ( 1.022 0.084 1.315) 1.668 2.112 ( 0.703 -1.594 2.295) 2.881 2.184 ( 0.331 -4.344 -0.451) 4.379 2.194 ( -6.479 -2.261 3.065) 7.515 2.233 ( -2.741 0.487 5.633) 6.284 2.335 ( 0.351 -4.532 1.504) 4.788 2.379 ( -1.177 1.022 0.488) 1.633 2.593 ( 2.388 1.363 -8.121) 8.574 2.698 ( 3.435 1.914 -2.679) 4.758 2.763 ( 1.615 -3.176 -3.135) 4.746 2.825 ( 0.599 -2.152 -0.789) 2.369 2.881 ( 1.698 1.208 2.147) 2.992 3.067 ( -0.289 3.897 -2.008) 4.393 3.103 ( -1.974 0.956 -0.524) 2.255 3.202 ( 2.664 4.218 0.829) 5.057 3.289 ( 4.967 -3.035 1.634) 6.046 3.567 ( 0.154 -0.574 -0.369) 0.700 3.633 ( -2.411 3.569 1.416) 4.534 3.722 ( -1.351 -3.821 1.313) 4.260 3.862 ( -0.381 0.630 2.776) 2.872 3.913 ( 1.296 -3.783 2.500) 4.717 3.951 ( -0.186 4.744 -3.316) 5.791 4.083 ( -2.986 4.099 -0.389) 5.087 4.101 ( 0.814 0.478 0.953) 1.341 4.244 ( 1.056 -0.587 -4.548) 4.706 4.909 ( 1.239 0.748 -0.791) 1.650 4.987 ( 0.020 2.107 0.498) 2.166 5.105 ( 1.616 -0.250 -0.129) 1.640 5.124 ( -0.402 0.264 0.415) 0.635 5.260 ( 0.518 0.916 -0.552) 1.188 5.345 ( 0.906 -0.561 -0.077) 1.068 5.362 ( 1.633 -0.340 -2.596) 3.086 5.483 ( 2.184 -0.963 -3.788) 4.477 6.356 ( -0.607 0.087 2.883) 2.947 6.456 ( -0.238 0.042 -0.023) 0.243 6.494 ( 2.006 -0.015 0.773) 2.150 6.624 ( -0.777 -0.095 0.951) 1.232 6.812 ( 0.156 -0.520 -0.067) 0.547 6.914 ( -1.570 -0.219 0.391) 1.633 6.958 ( 1.037 -0.050 0.125) 1.046 7.244 ( -2.936 -1.077 -0.846) 3.239 ======================= Grid point 81 (35/78) ======================= q-point: (-0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -3.310 8.169 -0.069) 8.814 0.763 ( 1.837 6.547 4.427) 8.114 0.862 ( 2.745 4.953 9.291) 10.880 1.080 ( 0.363 5.926 0.752) 5.984 1.203 ( -1.487 3.741 -4.010) 5.682 1.350 ( 0.046 -2.058 -1.313) 2.441 1.425 ( 1.045 4.883 0.451) 5.014 1.539 ( 0.506 -1.573 -1.199) 2.041 1.588 ( -0.824 -1.457 0.067) 1.675 1.604 ( -1.478 -0.386 -1.659) 2.255 1.656 ( -4.356 1.724 2.799) 5.457 1.734 ( -3.183 0.912 -2.516) 4.158 1.849 ( 2.243 -4.169 0.038) 4.734 2.029 ( 3.089 -0.522 -1.074) 3.312 2.125 ( 0.451 1.239 2.720) 3.023 2.163 ( -5.960 -1.636 2.567) 6.692 2.226 ( -0.998 -1.803 1.877) 2.787 2.289 ( 1.044 -4.649 1.458) 4.983 2.398 ( 1.971 -1.910 -1.043) 2.936 2.417 ( -0.148 -4.677 1.226) 4.837 2.577 ( 1.169 -1.108 -5.353) 5.590 2.667 ( 0.864 4.206 -0.102) 4.295 2.828 ( 3.184 -2.884 -2.258) 4.854 2.844 ( -2.087 1.908 -0.202) 2.835 2.880 ( 1.766 0.270 -0.967) 2.031 2.983 ( 1.475 3.234 -0.755) 3.634 3.071 ( -1.813 1.165 -0.698) 2.266 3.174 ( 0.273 2.248 1.583) 2.764 3.402 ( 3.254 -2.885 0.531) 4.382 3.532 ( -4.833 4.365 0.707) 6.551 3.588 ( 3.067 -0.701 -1.223) 3.376 3.760 ( -1.985 -2.757 0.429) 3.425 3.837 ( -2.911 0.791 -2.701) 4.050 3.871 ( 1.160 4.465 3.154) 5.588 3.946 ( -1.544 3.314 -3.309) 4.932 4.004 ( -0.343 -0.972 0.837) 1.328 4.102 ( 0.520 2.017 4.337) 4.811 4.245 ( 2.073 0.842 -3.932) 4.524 4.902 ( 1.079 1.434 -0.648) 1.908 4.952 ( -1.050 1.799 0.253) 2.098 5.099 ( -0.254 0.531 -1.513) 1.624 5.149 ( 1.404 -0.774 2.890) 3.305 5.247 ( -0.601 0.450 -1.044) 1.286 5.365 ( 0.865 -0.693 -0.091) 1.112 5.372 ( 2.447 0.586 -4.152) 4.855 5.474 ( 0.950 1.748 -8.807) 9.029 6.390 ( 1.901 -1.826 5.278) 5.899 6.446 ( -0.472 0.745 1.207) 1.495 6.525 ( 1.586 -0.711 0.934) 1.973 6.605 ( -2.166 0.382 -0.160) 2.206 6.835 ( 1.744 -0.898 0.603) 2.052 6.895 ( -2.167 0.199 0.474) 2.227 6.980 ( 1.233 -0.758 1.009) 1.764 7.216 ( -3.800 -0.865 -2.278) 4.515 ======================= Grid point 82 (36/78) ======================= q-point: (-0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -1.709 8.492 6.546) 10.858 0.656 ( -0.363 11.972 8.486) 14.679 0.885 ( 4.071 1.397 10.525) 11.371 0.979 ( -1.770 6.041 2.434) 6.749 1.080 ( -0.531 5.897 -7.837) 9.822 1.341 ( 1.933 6.905 4.194) 8.307 1.356 ( -1.055 -0.384 -1.635) 1.984 1.489 ( -0.575 1.840 -0.330) 1.956 1.574 ( 0.858 -1.685 -1.176) 2.227 1.671 ( -2.768 -0.633 -1.484) 3.204 1.699 ( 0.366 -4.918 -0.713) 4.983 1.718 ( -0.025 -4.204 -1.955) 4.636 1.941 ( 1.260 -4.378 1.337) 4.748 2.048 ( 1.125 0.926 -1.406) 2.025 2.124 ( -0.544 0.206 0.402) 0.707 2.146 ( -2.203 -1.713 2.653) 3.851 2.242 ( -0.579 -0.759 1.710) 1.959 2.365 ( 0.507 -3.482 1.445) 3.804 2.425 ( 1.780 0.599 -5.394) 5.712 2.468 ( -0.621 -1.863 -0.011) 1.964 2.595 ( 0.645 2.095 -1.521) 2.668 2.640 ( 0.398 -3.404 1.102) 3.600 2.755 ( -2.793 2.993 0.157) 4.097 2.893 ( 5.462 1.284 0.164) 5.613 2.905 ( 2.990 -1.486 -0.778) 3.428 2.991 ( 0.810 -0.700 -0.304) 1.113 3.028 ( -1.623 1.052 -0.889) 2.129 3.136 ( -2.022 2.262 -0.874) 3.158 3.416 ( -1.442 1.561 -0.966) 2.334 3.447 ( -2.431 -1.564 -2.174) 3.617 3.650 ( 6.764 1.367 2.509) 7.343 3.744 ( -3.216 1.425 -0.029) 3.518 3.788 ( 0.604 2.267 -3.343) 4.084 3.852 ( -2.678 1.520 -1.903) 3.620 3.873 ( 0.430 -1.225 2.084) 2.455 4.016 ( -0.399 1.108 -0.238) 1.202 4.080 ( -0.901 2.149 4.182) 4.787 4.233 ( 3.572 3.865 -3.643) 6.400 4.892 ( 1.223 0.910 -0.173) 1.534 4.912 ( -1.462 1.524 -0.468) 2.163 5.087 ( -0.368 -0.067 -0.887) 0.963 5.175 ( -0.376 0.062 2.504) 2.533 5.217 ( -1.610 1.123 -3.378) 3.906 5.349 ( 5.173 4.962 -10.696) 12.876 5.380 ( 0.550 -0.339 -0.044) 0.647 5.421 ( 0.061 1.077 -3.059) 3.244 6.436 ( -0.143 0.615 1.859) 1.963 6.474 ( 1.129 -2.833 3.933) 4.977 6.558 ( 1.956 -1.017 0.404) 2.241 6.585 ( -1.214 -1.778 1.486) 2.616 6.867 ( 0.163 0.193 0.631) 0.680 6.875 ( 0.288 -0.607 0.877) 1.105 7.001 ( -0.613 -0.080 2.881) 2.947 7.173 ( -2.827 0.099 -4.237) 5.095 ======================= Grid point 85 (37/78) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 1.693 0.000 -0.689) 1.828 0.782 ( 7.856 0.000 7.158) 10.628 1.007 ( 4.999 0.000 -4.396) 6.657 1.064 ( 4.140 0.000 -0.652) 4.191 1.286 ( -0.635 -0.000 -0.762) 0.992 1.369 ( 3.888 0.000 -1.071) 4.033 1.472 ( 6.279 0.000 1.657) 6.494 1.488 ( 4.510 0.000 0.300) 4.520 1.524 ( -2.082 -0.000 3.486) 4.060 1.587 ( -0.916 -0.000 0.186) 0.935 1.695 ( -3.440 -0.000 2.769) 4.416 1.839 ( 4.747 0.000 -2.498) 5.365 1.945 ( -2.815 -0.000 5.904) 6.540 1.951 ( -2.036 -0.000 -1.843) 2.746 1.985 ( -1.159 -0.000 -3.304) 3.502 2.119 ( -0.642 -0.000 -0.933) 1.133 2.216 ( -1.857 -0.000 0.718) 1.991 2.342 ( 0.100 0.000 -5.004) 5.005 2.366 ( -5.735 -0.000 4.924) 7.559 2.533 ( -1.548 -0.000 4.554) 4.810 2.593 ( 2.604 0.000 -2.848) 3.859 2.605 ( -2.273 -0.000 0.872) 2.434 2.722 ( 0.332 0.000 -4.577) 4.589 2.781 ( 0.009 0.000 -0.386) 0.386 2.934 ( 3.588 0.000 -6.663) 7.567 3.114 ( 1.622 0.000 1.578) 2.263 3.202 ( 2.173 0.000 3.827) 4.401 3.225 ( -1.307 -0.000 -3.910) 4.123 3.423 ( -0.454 -0.000 -0.073) 0.460 3.528 ( -0.915 -0.000 -0.141) 0.926 3.617 ( 3.412 0.000 4.033) 5.283 3.685 ( -4.033 -0.000 1.575) 4.329 3.791 ( 3.672 0.000 -4.711) 5.973 3.823 ( 1.381 0.000 -3.066) 3.362 4.010 ( 8.385 0.000 0.920) 8.435 4.018 ( 3.095 0.000 -0.632) 3.159 4.077 ( -2.793 -0.000 2.869) 4.004 4.234 ( 3.617 0.000 -1.012) 3.756 4.887 ( 1.755 0.000 0.419) 1.804 5.013 ( 2.536 0.000 -1.809) 3.115 5.122 ( 0.296 0.000 -1.341) 1.373 5.150 ( -2.704 -0.000 2.697) 3.819 5.246 ( 5.907 0.000 -0.131) 5.908 5.334 ( 0.764 0.000 -4.434) 4.500 5.376 ( -0.964 -0.000 -1.239) 1.570 5.398 ( -0.087 -0.000 0.240) 0.256 6.447 ( -1.254 -0.000 -2.744) 3.017 6.488 ( -5.423 -0.000 4.401) 6.985 6.530 ( -0.098 -0.000 -0.578) 0.586 6.533 ( 3.124 0.000 2.138) 3.786 6.834 ( -0.871 -0.000 0.180) 0.890 6.880 ( -1.963 -0.000 0.784) 2.114 6.990 ( -2.110 -0.000 0.661) 2.211 7.231 ( 2.393 0.000 -2.884) 3.748 ======================= Grid point 86 (38/78) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 2.290 -2.610 -3.528) 4.950 0.910 ( 6.934 -2.293 4.745) 8.709 1.017 ( 0.280 2.729 2.732) 3.871 1.118 ( 4.005 -2.005 -0.599) 4.519 1.239 ( -1.841 2.782 -1.680) 3.735 1.395 ( 6.433 3.112 -0.893) 7.201 1.468 ( -0.158 3.926 2.612) 4.718 1.487 ( 3.481 2.799 1.657) 4.765 1.542 ( -0.848 0.809 -1.029) 1.559 1.595 ( -0.312 -1.038 -0.453) 1.175 1.715 ( -2.277 -4.547 2.323) 5.591 1.871 ( 3.871 0.483 -5.220) 6.517 1.940 ( -3.335 -1.448 -0.703) 3.703 1.964 ( -0.341 -2.172 -1.877) 2.891 2.001 ( 0.208 -4.196 1.345) 4.411 2.118 ( 0.713 -0.115 -0.477) 0.865 2.195 ( -2.040 0.546 0.947) 2.315 2.305 ( -2.483 2.142 -3.111) 4.520 2.321 ( -3.016 -0.554 5.390) 6.201 2.532 ( -1.294 0.463 4.486) 4.692 2.590 ( 1.629 0.633 0.796) 1.921 2.618 ( 0.476 -1.236 0.444) 1.397 2.717 ( -0.505 -0.979 -5.455) 5.565 2.800 ( 1.621 -0.958 -1.883) 2.662 2.913 ( 0.491 4.334 -5.099) 6.710 3.085 ( 2.183 2.653 -0.785) 3.525 3.158 ( -5.138 -0.786 -3.365) 6.192 3.289 ( 2.364 -1.910 6.136) 6.847 3.406 ( 2.594 3.924 -2.268) 5.222 3.517 ( -1.679 -0.533 1.145) 2.101 3.645 ( -1.337 -1.440 2.243) 2.982 3.670 ( 2.694 1.982 4.425) 5.547 3.834 ( 3.043 0.754 -0.213) 3.142 3.850 ( 2.612 -4.172 -3.066) 5.799 4.018 ( -2.238 2.421 1.213) 3.513 4.046 ( 2.327 0.391 -1.429) 2.759 4.117 ( 5.395 -1.395 0.007) 5.572 4.271 ( 1.534 -0.740 -1.817) 2.490 4.908 ( 1.871 0.276 0.617) 1.990 5.036 ( 2.555 0.086 -1.144) 2.800 5.099 ( -0.458 1.324 0.653) 1.546 5.144 ( -1.835 -0.823 0.917) 2.210 5.291 ( 4.591 0.850 -2.359) 5.232 5.327 ( -0.511 -0.507 -3.653) 3.723 5.355 ( -0.377 1.104 0.284) 1.201 5.411 ( -0.008 -1.289 0.400) 1.350 6.419 ( -2.317 0.698 -1.919) 3.089 6.446 ( -2.293 0.443 1.958) 3.047 6.524 ( 1.045 1.021 0.939) 1.737 6.581 ( 1.892 -0.865 1.949) 2.851 6.822 ( -0.681 0.387 -0.010) 0.784 6.877 ( -1.912 -1.794 0.612) 2.692 6.973 ( -1.105 0.307 1.188) 1.651 7.234 ( 0.223 0.038 -2.607) 2.617 ======================= Grid point 87 (39/78) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 3.631 -4.041 -2.756) 6.092 0.968 ( -1.636 3.184 5.490) 6.554 0.989 ( 2.553 2.500 1.960) 4.076 1.175 ( 1.717 -2.617 -1.943) 3.684 1.225 ( 3.535 -0.310 3.085) 4.702 1.378 ( 0.704 3.881 1.123) 4.101 1.451 ( 3.462 2.119 -0.083) 4.060 1.482 ( 3.389 3.767 2.732) 5.757 1.516 ( -0.051 0.032 -0.564) 0.567 1.587 ( -0.865 -0.458 -3.686) 3.814 1.741 ( -3.956 -1.456 0.948) 4.320 1.871 ( 2.842 1.559 -7.061) 7.770 1.926 ( -4.341 -3.552 -2.797) 6.268 1.999 ( 0.507 -2.651 -0.196) 2.706 2.064 ( 0.170 -3.343 1.969) 3.883 2.100 ( -1.352 2.119 -1.651) 3.007 2.175 ( -2.046 -0.213 3.008) 3.643 2.224 ( -3.690 1.897 -1.597) 4.446 2.327 ( -5.280 0.404 7.368) 9.074 2.497 ( -2.236 3.471 1.890) 4.541 2.608 ( 3.116 1.271 -4.238) 5.411 2.674 ( 1.875 -2.920 3.214) 4.730 2.691 ( -0.555 -1.402 -4.174) 4.437 2.815 ( 1.401 -0.346 -4.010) 4.262 2.858 ( 3.202 0.840 -2.871) 4.381 3.108 ( -1.812 -2.080 -5.814) 6.436 3.116 ( 3.115 1.505 4.083) 5.351 3.309 ( -0.572 2.514 3.422) 4.285 3.367 ( 4.279 4.478 -2.539) 6.694 3.518 ( -2.926 -1.516 2.371) 4.060 3.672 ( 0.822 1.836 2.770) 3.423 3.689 ( -0.781 -3.796 4.432) 5.888 3.850 ( 3.739 2.253 0.863) 4.450 3.901 ( -0.210 0.714 3.313) 3.396 3.998 ( 1.124 -1.882 -2.458) 3.293 4.064 ( 1.184 -0.875 -2.703) 3.078 4.154 ( 1.669 0.994 -0.823) 2.110 4.263 ( -0.118 1.496 -2.558) 2.966 4.924 ( 1.795 0.456 0.393) 1.894 5.045 ( 1.010 1.107 -0.551) 1.596 5.096 ( 0.745 -0.162 1.557) 1.733 5.134 ( -1.131 -0.015 -0.425) 1.209 5.289 ( -0.295 0.939 -3.057) 3.211 5.330 ( 1.180 -0.895 -3.172) 3.501 5.352 ( 1.690 0.394 1.079) 2.043 5.437 ( 0.814 -1.532 -0.246) 1.752 6.374 ( -2.020 1.062 1.192) 2.575 6.442 ( 0.444 -0.605 -0.982) 1.236 6.525 ( 1.506 1.292 1.449) 2.457 6.610 ( 0.312 -0.487 1.960) 2.043 6.810 ( -0.348 0.317 -0.105) 0.482 6.887 ( -1.789 -1.662 0.439) 2.481 6.965 ( -0.238 0.188 1.133) 1.173 7.219 ( -1.448 -0.134 -2.373) 2.783 ======================= Grid point 88 (40/78) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 1.407 0.768 -2.237) 2.752 0.890 ( -1.322 5.156 4.378) 6.892 0.992 ( 2.277 1.550 5.233) 5.914 1.227 ( 2.594 -0.880 -4.133) 4.958 1.291 ( 3.193 -0.398 4.277) 5.352 1.324 ( -0.516 4.025 1.862) 4.465 1.444 ( -1.980 -1.255 1.087) 2.584 1.489 ( 4.258 1.619 1.635) 4.840 1.534 ( 4.252 1.771 -0.477) 4.631 1.574 ( -0.578 -0.138 -3.743) 3.790 1.707 ( -4.444 -2.455 -1.534) 5.304 1.832 ( 0.207 2.991 -5.364) 6.145 1.928 ( -5.934 0.614 -2.259) 6.379 1.960 ( -2.610 2.356 -5.223) 6.297 2.092 ( 1.799 -3.515 2.707) 4.787 2.126 ( -1.075 -3.438 0.667) 3.663 2.147 ( -2.304 1.774 6.197) 6.846 2.196 ( -3.322 -2.366 2.788) 4.940 2.273 ( -3.181 -2.104 0.757) 3.888 2.437 ( 0.392 4.290 4.249) 6.051 2.583 ( 0.293 0.521 -9.059) 9.079 2.713 ( -0.086 -3.046 -0.889) 3.174 2.748 ( 4.650 -0.798 -2.789) 5.481 2.813 ( 0.707 0.400 -1.711) 1.894 2.917 ( 3.460 -0.955 1.691) 3.968 3.074 ( -2.462 -0.450 -4.874) 5.479 3.147 ( 2.240 3.745 3.959) 5.892 3.313 ( 2.345 1.322 1.717) 3.193 3.322 ( 4.917 3.301 -0.117) 5.923 3.505 ( -4.977 -1.919 1.123) 5.451 3.666 ( -1.472 -1.002 1.103) 2.094 3.724 ( 1.155 3.397 3.460) 4.984 3.870 ( 1.492 -0.722 3.232) 3.632 3.894 ( -0.666 -0.316 2.368) 2.480 4.006 ( 1.103 2.330 -2.020) 3.275 4.063 ( -1.893 0.841 -3.771) 4.302 4.136 ( -0.297 1.141 0.980) 1.533 4.239 ( 1.650 0.086 -3.703) 4.054 4.934 ( 1.372 0.713 0.214) 1.561 5.024 ( 0.210 2.189 -0.247) 2.213 5.119 ( -1.141 0.167 0.046) 1.154 5.124 ( 1.936 -0.560 1.477) 2.499 5.261 ( -1.070 0.424 -2.279) 2.553 5.344 ( 0.924 -0.612 -0.978) 1.478 5.373 ( 1.844 -0.159 -0.919) 2.066 5.464 ( 0.497 -1.518 -3.815) 4.136 6.361 ( -0.158 -0.087 3.030) 3.035 6.456 ( 0.666 -0.372 -0.772) 1.085 6.530 ( 2.126 1.063 1.281) 2.701 6.612 ( -1.657 0.148 1.169) 2.033 6.812 ( 0.976 -0.460 0.674) 1.272 6.888 ( -1.919 -0.842 0.297) 2.116 6.971 ( 0.721 -0.144 1.167) 1.379 7.192 ( -2.541 -0.286 -2.728) 3.739 ======================= Grid point 89 (41/78) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -1.781 5.822 0.296) 6.095 0.846 ( 2.041 4.201 3.703) 5.961 1.025 ( 4.778 2.453 6.684) 8.575 1.184 ( -1.440 6.806 -2.620) 7.434 1.256 ( -0.181 5.238 2.661) 5.878 1.309 ( -2.418 -1.233 -0.642) 2.789 1.469 ( -0.617 -1.155 -1.791) 2.219 1.517 ( 1.599 -0.098 -4.249) 4.541 1.551 ( 1.364 -3.012 1.273) 3.543 1.575 ( 0.163 -1.741 1.782) 2.497 1.688 ( -4.314 4.537 -3.802) 7.325 1.720 ( -0.657 4.240 1.236) 4.465 1.822 ( 1.075 -0.980 -1.298) 1.950 1.999 ( 0.911 -4.669 -4.683) 6.675 2.104 ( -3.725 -0.111 4.034) 5.492 2.142 ( -0.693 -0.047 2.446) 2.543 2.191 ( 1.345 -3.518 -0.453) 3.793 2.249 ( 0.934 -3.479 5.258) 6.374 2.320 ( -2.540 -5.812 0.626) 6.373 2.408 ( 1.355 1.430 2.908) 3.513 2.559 ( 1.014 -0.529 -6.547) 6.646 2.722 ( 0.505 1.928 -3.944) 4.419 2.803 ( 1.015 -2.660 1.105) 3.054 2.830 ( 2.298 -1.242 -3.802) 4.613 2.913 ( 0.066 2.736 -0.130) 2.740 3.049 ( -0.650 0.168 -2.824) 2.902 3.104 ( 1.941 5.168 4.450) 7.091 3.238 ( -0.312 5.136 -0.395) 5.161 3.399 ( -0.419 -0.841 3.446) 3.572 3.503 ( -0.355 -1.416 -2.444) 2.847 3.660 ( 0.612 2.957 3.161) 4.372 3.684 ( -1.492 -2.215 0.480) 2.714 3.848 ( -0.552 3.387 0.324) 3.446 3.950 ( 0.371 -0.311 0.790) 0.926 3.963 ( -2.202 4.239 -4.339) 6.453 3.979 ( 0.398 -0.236 2.305) 2.351 4.129 ( -0.822 0.796 1.371) 1.785 4.266 ( 3.430 -0.941 -3.140) 4.745 4.932 ( 0.661 1.059 -0.112) 1.254 4.985 ( 0.089 3.049 -0.261) 3.062 5.100 ( -1.135 0.605 0.368) 1.338 5.162 ( 1.082 -0.734 2.680) 2.982 5.234 ( -1.402 0.373 -2.602) 2.979 5.360 ( 0.609 -0.673 -1.003) 1.353 5.387 ( 1.052 -0.013 -1.012) 1.460 5.458 ( -0.203 -0.378 -7.854) 7.865 6.393 ( 0.781 -1.696 4.292) 4.680 6.458 ( 0.108 0.422 0.511) 0.671 6.547 ( 2.246 0.360 0.393) 2.308 6.581 ( -3.094 0.614 0.520) 3.196 6.847 ( 1.162 -1.166 1.622) 2.311 6.876 ( -0.745 0.043 0.036) 0.747 6.992 ( 0.840 -0.521 2.082) 2.305 7.159 ( -1.749 -0.386 -3.721) 4.130 ======================= Grid point 90 (42/78) ======================= q-point: (-0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -0.272 6.407 3.744) 7.426 0.793 ( -1.891 6.768 4.959) 8.601 1.002 ( 1.349 7.507 -2.824) 8.133 1.086 ( 3.778 2.719 6.195) 7.749 1.172 ( 1.157 6.829 1.439) 7.074 1.295 ( -3.304 -1.851 -1.380) 4.031 1.446 ( -3.128 2.079 0.092) 3.757 1.481 ( -2.708 -1.582 -3.257) 4.522 1.585 ( 0.032 0.716 -2.011) 2.135 1.642 ( 1.777 -1.651 0.255) 2.439 1.666 ( 2.632 -4.675 0.265) 5.371 1.672 ( 5.106 4.600 -0.330) 6.880 1.883 ( -0.499 -4.109 2.076) 4.631 2.054 ( 1.340 -1.442 -3.902) 4.371 2.087 ( -2.423 -0.595 3.336) 4.166 2.147 ( -0.332 -0.729 1.763) 1.936 2.231 ( 0.709 -0.961 0.345) 1.243 2.326 ( 0.732 -2.884 4.006) 4.990 2.378 ( -1.807 -5.199 -0.541) 5.530 2.438 ( 0.223 -1.116 0.904) 1.454 2.580 ( 1.515 -2.398 -2.793) 3.981 2.658 ( -0.061 3.992 -3.495) 5.306 2.783 ( -1.928 3.690 -0.728) 4.227 2.867 ( 1.076 -4.435 -2.473) 5.190 2.947 ( 4.895 -0.645 0.118) 4.939 3.009 ( -1.600 0.343 -3.396) 3.769 3.062 ( -1.411 4.742 3.458) 6.036 3.172 ( 1.472 3.265 0.237) 3.589 3.382 ( -3.888 -1.272 0.576) 4.132 3.457 ( 0.789 3.973 -0.815) 4.132 3.701 ( -3.217 -2.267 -0.003) 3.936 3.723 ( 3.321 -2.968 1.226) 4.619 3.792 ( 0.437 3.346 0.391) 3.397 3.853 ( -1.753 3.285 -4.741) 6.028 3.916 ( 0.703 3.347 2.259) 4.099 4.034 ( 1.269 -0.892 0.977) 1.833 4.101 ( -1.158 1.571 1.472) 2.444 4.302 ( 3.802 0.834 -2.676) 4.723 4.914 ( -0.558 1.288 -0.917) 1.677 4.938 ( 0.558 2.826 0.271) 2.893 5.081 ( -1.258 0.408 0.431) 1.391 5.166 ( -2.469 0.126 0.382) 2.501 5.215 ( 0.721 0.241 -1.162) 1.388 5.363 ( -0.439 -0.321 -2.341) 2.404 5.392 ( 0.642 -0.193 -1.699) 1.827 5.436 ( 1.786 0.802 -6.483) 6.772 6.441 ( -0.412 -1.390 2.543) 2.927 6.460 ( 0.015 -0.727 2.447) 2.553 6.545 ( -2.720 -0.164 1.212) 2.983 6.570 ( 1.621 -0.396 -0.323) 1.700 6.848 ( -1.934 -0.542 0.586) 2.092 6.898 ( 2.501 -0.170 0.654) 2.591 7.001 ( -2.028 -0.176 2.081) 2.912 7.155 ( 2.625 -0.082 -3.230) 4.163 ======================= Grid point 94 (43/78) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 3.154 0.000 -0.537) 3.199 0.988 ( 7.902 0.000 3.477) 8.633 1.072 ( 0.087 0.000 3.575) 3.576 1.105 ( -0.818 -0.000 3.159) 3.263 1.236 ( -1.195 -0.000 -1.711) 2.087 1.468 ( 3.426 0.000 -0.298) 3.438 1.491 ( -4.916 -0.000 0.517) 4.943 1.495 ( -2.043 -0.000 2.904) 3.551 1.580 ( 1.904 0.000 -6.138) 6.427 1.644 ( 0.109 0.000 2.187) 2.190 1.655 ( 6.816 0.000 1.121) 6.907 1.889 ( 2.962 0.000 -6.292) 6.954 1.902 ( -2.538 -0.000 -3.971) 4.712 1.913 ( -1.270 -0.000 -3.491) 3.715 1.973 ( 0.400 0.000 2.660) 2.690 2.135 ( 1.901 0.000 -1.713) 2.559 2.180 ( -2.424 -0.000 -0.748) 2.537 2.284 ( -4.799 -0.000 9.095) 10.283 2.322 ( 1.850 0.000 -2.239) 2.905 2.535 ( 0.330 0.000 0.220) 0.396 2.596 ( -0.158 -0.000 3.879) 3.882 2.624 ( -0.328 -0.000 2.479) 2.501 2.694 ( 0.321 0.000 -5.233) 5.243 2.816 ( 3.213 0.000 -2.608) 4.138 2.958 ( 0.146 0.000 -2.419) 2.423 3.014 ( -7.090 -0.000 -7.135) 10.058 3.159 ( 2.116 0.000 2.119) 2.995 3.316 ( 1.841 0.000 6.650) 6.901 3.446 ( 0.601 0.000 -4.091) 4.135 3.480 ( -3.117 -0.000 0.617) 3.178 3.635 ( -1.221 -0.000 4.739) 4.894 3.773 ( 6.218 0.000 6.851) 9.252 3.819 ( 2.721 0.000 -4.582) 5.329 3.855 ( 2.036 0.000 -0.148) 2.042 3.993 ( -6.121 -0.000 1.988) 6.436 4.093 ( 3.967 0.000 -1.830) 4.369 4.167 ( 5.293 0.000 -0.933) 5.374 4.277 ( 1.435 0.000 -2.081) 2.527 4.935 ( 1.722 0.000 1.199) 2.098 5.059 ( 2.410 0.000 -1.472) 2.824 5.102 ( -3.241 -0.000 2.953) 4.385 5.119 ( 0.250 0.000 -0.694) 0.738 5.306 ( 0.456 0.000 -4.019) 4.044 5.307 ( -0.126 -0.000 -4.380) 4.382 5.387 ( 1.977 0.000 1.296) 2.364 5.394 ( -0.457 -0.000 0.797) 0.919 6.406 ( -0.125 -0.000 -2.653) 2.656 6.422 ( -3.174 -0.000 2.756) 4.204 6.543 ( 0.511 0.000 2.212) 2.270 6.609 ( 2.255 0.000 1.524) 2.722 6.819 ( -0.553 -0.000 0.013) 0.553 6.847 ( -1.029 -0.000 0.298) 1.071 6.966 ( -1.233 -0.000 1.908) 2.272 7.224 ( -0.357 -0.000 -3.546) 3.564 ======================= Grid point 95 (44/78) ======================= q-point: ( 0.50 0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 5.710 -2.608 2.895) 6.913 1.036 ( -0.487 2.861 0.022) 2.902 1.054 ( 0.215 2.697 8.623) 9.038 1.141 ( 2.497 -3.079 -1.486) 4.233 1.242 ( 1.911 -1.027 2.295) 3.158 1.411 ( -5.582 0.449 0.038) 5.600 1.456 ( -1.669 2.308 1.562) 3.249 1.524 ( 0.103 -0.128 1.621) 1.630 1.569 ( 1.914 -0.150 -2.561) 3.201 1.641 ( 3.910 1.975 -1.342) 4.582 1.704 ( 1.477 1.022 -1.942) 2.645 1.836 ( -3.173 0.888 -3.055) 4.494 1.887 ( 1.664 0.672 -8.577) 8.762 1.950 ( 0.974 -3.988 0.118) 4.107 2.018 ( 1.001 -3.351 0.871) 3.604 2.116 ( -0.658 1.475 -2.226) 2.750 2.147 ( -2.847 -0.088 -4.288) 5.148 2.252 ( -2.107 3.187 7.269) 8.212 2.309 ( -4.061 2.350 2.454) 5.295 2.523 ( 0.779 2.547 0.200) 2.671 2.629 ( -2.424 -1.790 4.219) 5.185 2.656 ( -0.058 2.456 -4.026) 4.716 2.678 ( 4.358 -4.252 3.483) 7.014 2.821 ( 2.835 1.026 -6.751) 7.393 2.900 ( 1.501 1.237 -2.633) 3.274 2.996 ( -4.408 -4.159 -5.201) 7.986 3.194 ( 4.345 0.635 3.243) 5.459 3.346 ( -0.661 1.038 5.599) 5.733 3.427 ( 1.678 0.690 -3.824) 4.233 3.458 ( -4.036 -1.068 0.134) 4.177 3.650 ( -0.970 -1.609 5.868) 6.162 3.774 ( 2.986 6.118 3.817) 7.805 3.861 ( 1.306 -2.519 -1.522) 3.220 3.921 ( -2.143 0.175 3.374) 4.000 3.961 ( 1.955 -4.275 0.725) 4.756 4.098 ( 2.716 2.929 -2.012) 4.473 4.190 ( 1.782 1.731 -2.221) 3.332 4.274 ( -0.046 0.744 -2.526) 2.634 4.952 ( 1.335 0.396 1.040) 1.738 5.063 ( -0.049 0.782 0.019) 0.784 5.094 ( -0.701 -1.011 1.389) 1.856 5.123 ( 0.181 -0.223 -0.203) 0.351 5.277 ( -0.842 0.781 -3.883) 4.049 5.313 ( 0.990 -1.445 -4.088) 4.448 5.381 ( 0.601 0.863 1.043) 1.481 5.421 ( 0.330 -1.229 -0.055) 1.274 6.380 ( -1.000 1.232 1.388) 2.108 6.426 ( 0.181 -1.464 -0.876) 1.715 6.556 ( 0.618 0.287 3.024) 3.100 6.625 ( 0.586 0.678 1.190) 1.490 6.812 ( -0.130 0.261 0.226) 0.369 6.850 ( -0.622 -1.147 -0.134) 1.312 6.964 ( -0.806 -0.264 2.168) 2.328 7.201 ( -0.630 0.511 -3.941) 4.024 ======================= Grid point 96 (45/78) ======================= q-point: (-0.38 -0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 3.830 0.464 1.779) 4.248 0.968 ( -0.503 2.803 1.057) 3.037 1.053 ( 1.053 1.853 7.966) 8.246 1.208 ( 1.687 -2.494 -1.835) 3.527 1.293 ( 0.015 -1.095 1.180) 1.610 1.370 ( -1.242 -0.731 2.459) 2.851 1.403 ( -2.759 2.005 1.940) 3.924 1.515 ( -0.912 -0.009 2.239) 2.418 1.589 ( -0.246 2.956 -5.120) 5.918 1.618 ( -1.458 -2.006 -1.087) 2.708 1.695 ( 5.794 5.982 1.844) 8.530 1.807 ( -3.612 -4.164 -4.515) 7.126 1.848 ( -0.291 1.704 -7.415) 7.614 1.996 ( 0.379 2.331 -7.375) 7.744 2.062 ( -0.653 -0.049 2.020) 2.123 2.090 ( 1.993 -2.856 1.788) 3.915 2.128 ( -1.230 -2.891 -0.693) 3.217 2.203 ( -3.747 2.676 6.572) 8.025 2.217 ( -2.120 1.540 0.158) 2.625 2.498 ( 0.760 2.224 2.623) 3.522 2.583 ( -1.392 2.477 -5.378) 6.082 2.666 ( -0.552 -2.011 2.229) 3.053 2.764 ( 3.594 -1.821 -2.858) 4.940 2.834 ( 2.370 0.797 -2.139) 3.290 2.927 ( -0.014 -2.110 0.737) 2.235 3.011 ( 1.272 -3.006 -5.804) 6.659 3.235 ( 1.956 2.222 5.053) 5.856 3.350 ( 1.811 -0.096 3.491) 3.934 3.403 ( 1.018 2.516 -2.815) 3.911 3.422 ( -5.184 -1.170 -0.604) 5.348 3.690 ( -0.709 2.208 5.321) 5.804 3.739 ( 0.604 -1.651 5.538) 5.811 3.879 ( -2.532 0.999 0.955) 2.884 3.910 ( 0.501 -0.063 0.280) 0.577 4.033 ( 2.084 0.184 0.362) 2.123 4.066 ( 0.557 2.152 -2.552) 3.385 4.153 ( -0.399 2.175 -1.524) 2.686 4.246 ( 0.343 0.584 -3.501) 3.566 4.957 ( 0.478 0.681 0.892) 1.220 5.051 ( 0.024 0.960 0.194) 0.980 5.102 ( -1.039 -0.566 0.465) 1.271 5.137 ( 1.154 -0.765 1.082) 1.758 5.245 ( -0.869 0.541 -3.345) 3.498 5.334 ( 0.986 -1.314 -3.207) 3.603 5.386 ( 0.766 0.041 0.501) 0.916 5.429 ( -1.145 -0.866 -2.014) 2.473 6.370 ( -0.295 0.069 2.542) 2.560 6.450 ( 1.019 -0.970 -1.422) 2.000 6.568 ( 0.724 0.558 2.981) 3.118 6.609 ( -1.401 1.197 0.668) 1.960 6.817 ( 0.467 -0.464 1.285) 1.444 6.860 ( -0.132 -0.960 -0.470) 1.077 6.974 ( 0.004 -0.631 2.272) 2.357 7.170 ( -0.389 0.900 -4.272) 4.383 ======================= Grid point 97 (46/78) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -1.078 4.572 0.443) 4.718 0.965 ( 4.503 4.319 1.160) 6.346 1.079 ( 0.035 -1.498 6.675) 6.841 1.230 ( -0.507 1.030 -2.411) 2.670 1.248 ( -5.207 1.277 -0.077) 5.362 1.348 ( 0.037 3.439 6.092) 6.996 1.422 ( -1.216 -1.550 -1.832) 2.691 1.476 ( -4.463 0.298 -5.008) 6.715 1.545 ( 1.891 -1.134 1.463) 2.646 1.580 ( -6.048 3.501 4.127) 8.116 1.673 ( 1.330 0.189 -2.035) 2.439 1.804 ( 0.618 -0.607 -2.829) 2.958 1.848 ( 4.984 0.500 -4.733) 6.892 1.946 ( 4.615 0.570 -5.809) 7.441 2.074 ( -2.037 -0.458 0.677) 2.195 2.145 ( -0.605 -0.715 2.939) 3.085 2.166 ( 0.312 -2.204 3.890) 4.482 2.218 ( 0.929 -3.209 -1.936) 3.861 2.227 ( 1.769 -3.649 5.452) 6.795 2.473 ( -0.375 3.220 3.606) 4.849 2.535 ( 0.475 -0.494 -6.239) 6.277 2.693 ( -0.872 -2.630 -2.078) 3.463 2.809 ( 1.111 0.983 -1.708) 2.262 2.839 ( 3.347 -0.451 -2.326) 4.101 2.925 ( -2.456 -0.530 1.088) 2.738 3.035 ( 1.033 0.590 -4.437) 4.594 3.208 ( 0.123 4.323 4.889) 6.527 3.288 ( -3.069 4.233 -1.829) 5.539 3.367 ( -5.512 -0.166 0.861) 5.581 3.496 ( 5.989 -4.333 0.939) 7.451 3.651 ( -0.798 1.849 4.155) 4.617 3.761 ( 0.253 6.280 2.040) 6.608 3.872 ( -3.534 -2.527 1.951) 4.763 3.878 ( -1.784 -1.417 2.388) 3.301 4.005 ( -0.763 3.843 -2.821) 4.828 4.027 ( 1.395 2.246 -1.721) 3.154 4.137 ( 1.169 0.624 -0.375) 1.377 4.261 ( 1.906 -2.237 -3.201) 4.346 4.948 ( -0.399 0.907 0.389) 1.065 5.030 ( 0.219 2.197 -0.153) 2.214 5.094 ( -1.343 0.135 0.877) 1.609 5.163 ( -0.669 -0.443 1.767) 1.941 5.218 ( -0.410 0.159 -3.193) 3.223 5.347 ( 0.073 -0.817 -3.106) 3.212 5.389 ( -0.362 0.161 -0.194) 0.441 5.422 ( -0.076 -0.947 -2.584) 2.753 6.387 ( -0.267 -1.245 2.874) 3.143 6.460 ( 0.224 -0.049 -1.010) 1.036 6.562 ( -2.543 0.944 1.335) 3.023 6.582 ( 0.885 0.930 1.092) 1.686 6.829 ( -1.225 -0.613 0.866) 1.621 6.886 ( 2.290 -0.902 0.321) 2.482 6.992 ( -0.421 -0.423 2.222) 2.301 7.149 ( 1.944 0.231 -3.846) 4.315 ======================= Grid point 98 (47/78) ======================= q-point: (-0.12 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -0.779 4.393 2.794) 5.264 0.890 ( -3.250 7.152 1.640) 8.025 1.079 ( -1.097 3.429 -3.607) 5.096 1.180 ( 3.998 0.681 1.994) 4.520 1.225 ( -2.598 -0.113 3.289) 4.193 1.296 ( -0.832 5.315 -0.936) 5.461 1.393 ( -2.086 -2.737 2.554) 4.285 1.415 ( -4.527 0.742 -3.252) 5.623 1.564 ( -0.449 -1.654 1.192) 2.087 1.627 ( 3.502 -4.479 1.577) 5.900 1.643 ( -0.641 1.913 -4.413) 4.853 1.835 ( -0.401 -2.120 2.322) 3.170 1.865 ( 9.175 5.130 -1.502) 10.618 2.010 ( 2.367 -3.877 -6.261) 7.736 2.071 ( -0.719 -1.172 3.418) 3.684 2.142 ( -0.611 0.730 3.529) 3.655 2.223 ( 0.536 -2.345 2.387) 3.389 2.276 ( -0.202 -3.320 -0.538) 3.370 2.318 ( 1.434 -2.672 4.620) 5.526 2.453 ( 1.590 0.632 0.735) 1.862 2.549 ( 0.624 -2.240 -3.551) 4.245 2.694 ( -0.575 1.235 -3.982) 4.209 2.786 ( -0.426 -0.321 -3.691) 3.729 2.841 ( 0.438 1.548 0.671) 1.743 2.938 ( -2.922 -2.071 0.374) 3.601 3.002 ( 0.830 1.026 -2.982) 3.261 3.119 ( -1.517 5.866 -0.477) 6.078 3.229 ( 0.189 1.238 0.382) 1.309 3.323 ( -4.586 -1.095 1.456) 4.935 3.538 ( 0.119 3.974 0.275) 3.985 3.668 ( 1.287 0.953 3.632) 3.969 3.708 ( 0.883 -1.741 1.683) 2.578 3.801 ( -2.548 1.650 -2.051) 3.664 3.911 ( -1.370 3.919 0.322) 4.164 3.971 ( 1.378 -0.055 -0.514) 1.472 4.009 ( 0.240 -1.289 2.065) 2.446 4.133 ( 1.712 1.857 -1.403) 2.889 4.314 ( 2.026 -2.326 -3.202) 4.446 4.922 ( -0.970 1.384 -0.828) 1.882 4.986 ( -0.863 2.714 0.497) 2.891 5.079 ( -0.855 0.622 0.802) 1.326 5.139 ( -1.839 0.183 -1.069) 2.135 5.222 ( 0.635 -0.355 -0.109) 0.735 5.341 ( -0.614 -0.472 -2.431) 2.552 5.386 ( 0.049 -0.273 -1.341) 1.370 5.433 ( 0.778 -0.541 -1.766) 2.004 6.415 ( -1.165 -2.018 2.760) 3.612 6.454 ( -0.438 0.035 -0.687) 0.816 6.525 ( -2.410 0.483 0.882) 2.611 6.586 ( 0.843 0.602 0.915) 1.382 6.825 ( -0.823 -0.499 0.053) 0.963 6.919 ( 1.461 -0.265 0.501) 1.567 6.980 ( -2.069 0.426 0.288) 2.132 7.187 ( 4.743 -0.702 -1.080) 4.915 ======================= Grid point 103 (48/78) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 8.533 0.000 7.115) 11.110 1.018 ( -5.884 -0.000 1.994) 6.213 1.089 ( -2.907 -0.000 7.928) 8.444 1.161 ( 5.070 0.000 -6.131) 7.956 1.271 ( 3.219 0.000 2.712) 4.209 1.343 ( -4.171 -0.000 0.992) 4.288 1.481 ( -3.762 -0.000 0.886) 3.865 1.501 ( 0.316 0.000 4.495) 4.506 1.580 ( -3.112 -0.000 -4.785) 5.708 1.636 ( 3.386 0.000 -2.202) 4.039 1.719 ( -0.157 -0.000 -4.256) 4.259 1.840 ( -0.911 -0.000 -6.056) 6.125 1.898 ( 1.861 0.000 0.996) 2.111 1.934 ( 3.988 0.000 -2.436) 4.673 2.013 ( 2.465 0.000 0.828) 2.601 2.084 ( -3.565 -0.000 -6.992) 7.848 2.113 ( -1.201 -0.000 -0.812) 1.450 2.278 ( -5.656 -0.000 -5.213) 7.692 2.282 ( -3.136 -0.000 10.769) 11.216 2.587 ( -4.624 -0.000 2.356) 5.190 2.638 ( 0.531 0.000 4.959) 4.988 2.643 ( 5.284 0.000 4.331) 6.832 2.694 ( 5.152 0.000 -2.163) 5.588 2.822 ( -2.210 -0.000 -6.227) 6.607 2.892 ( -0.522 -0.000 -3.332) 3.372 2.922 ( 3.811 0.000 -7.096) 8.055 3.252 ( 3.527 0.000 2.700) 4.442 3.364 ( -1.888 -0.000 6.036) 6.324 3.415 ( 0.465 0.000 -5.154) 5.175 3.426 ( -2.274 -0.000 1.673) 2.823 3.643 ( -1.772 -0.000 4.985) 5.291 3.843 ( 1.305 0.000 -2.337) 2.676 3.858 ( -6.757 -0.000 2.473) 7.195 3.912 ( 3.275 0.000 0.695) 3.348 3.962 ( 4.981 0.000 7.423) 8.939 4.142 ( 1.243 0.000 -1.385) 1.861 4.210 ( -0.295 -0.000 -2.615) 2.632 4.262 ( -1.169 -0.000 -3.757) 3.935 4.969 ( 0.691 0.000 0.951) 1.176 5.060 ( -2.467 -0.000 3.283) 4.107 5.085 ( 1.199 0.000 -2.170) 2.479 5.124 ( -0.004 -0.000 0.520) 0.520 5.280 ( 0.143 0.000 -4.246) 4.249 5.282 ( 0.848 0.000 -4.224) 4.308 5.394 ( -0.047 -0.000 0.813) 0.814 5.412 ( -0.143 -0.000 0.176) 0.227 6.381 ( -2.021 -0.000 1.363) 2.438 6.421 ( 2.500 0.000 -0.757) 2.612 6.575 ( 0.254 0.000 4.104) 4.112 6.633 ( -0.958 -0.000 0.588) 1.124 6.817 ( 0.444 0.000 0.311) 0.542 6.839 ( 0.202 0.000 -0.692) 0.721 6.961 ( -0.552 -0.000 2.959) 3.010 7.188 ( 0.155 0.000 -4.717) 4.719 ======================= Grid point 104 (49/78) ======================= q-point: (-0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 2.191 3.070 0.563) 3.814 0.965 ( -0.750 -1.100 6.926) 7.052 1.092 ( -1.791 -0.617 6.271) 6.550 1.149 ( -4.519 -2.213 -6.511) 8.229 1.307 ( 1.869 1.231 3.910) 4.505 1.360 ( 3.380 -1.103 0.876) 3.662 1.437 ( -1.494 2.056 3.334) 4.193 1.480 ( -5.238 0.427 -0.953) 5.341 1.554 ( -0.576 -1.289 0.142) 1.419 1.673 ( 4.505 1.752 0.490) 4.859 1.701 ( -3.233 -2.289 -5.137) 6.487 1.803 ( -0.621 4.241 -2.012) 4.735 1.838 ( -2.144 2.757 -6.170) 7.089 1.992 ( 3.135 -0.850 -3.792) 4.994 2.030 ( -3.842 -3.159 -2.895) 5.755 2.073 ( 3.395 -2.798 0.059) 4.400 2.123 ( 1.343 -0.238 2.065) 2.475 2.183 ( -2.044 2.098 -3.369) 4.465 2.266 ( -2.456 1.625 7.235) 7.811 2.542 ( -5.083 -0.250 -1.422) 5.284 2.599 ( 2.325 5.799 4.368) 7.623 2.673 ( 0.629 0.783 1.481) 1.789 2.747 ( 1.227 -1.545 -2.894) 3.502 2.847 ( 1.165 -3.477 -1.444) 3.941 2.877 ( 0.936 0.490 -3.402) 3.562 3.001 ( 7.820 -2.763 -4.750) 9.558 3.285 ( 0.464 0.651 3.505) 3.595 3.355 ( -2.613 -0.256 1.665) 3.109 3.386 ( -0.144 0.602 0.523) 0.810 3.416 ( -1.068 0.841 -1.956) 2.382 3.665 ( -1.404 -3.662 5.362) 6.643 3.774 ( -4.771 3.029 3.756) 6.785 3.868 ( 0.178 -2.209 -1.486) 2.668 3.924 ( 2.981 2.497 2.163) 4.449 4.045 ( 0.849 -0.956 2.784) 3.063 4.109 ( -1.551 3.509 -0.867) 3.933 4.173 ( -0.961 1.132 -1.366) 2.018 4.230 ( -1.274 -0.116 -5.138) 5.295 4.970 ( -0.421 0.546 0.985) 1.202 5.053 ( -0.823 -0.182 2.232) 2.386 5.090 ( 0.145 -0.246 -1.700) 1.723 5.132 ( 0.020 -1.027 1.097) 1.502 5.244 ( -0.023 1.531 -3.875) 4.166 5.304 ( 0.916 -1.873 -4.131) 4.627 5.395 ( 0.206 0.175 0.594) 0.652 5.409 ( -0.650 -0.044 0.033) 0.652 6.367 ( -1.388 -0.207 1.163) 1.822 6.453 ( 2.488 -0.302 -0.835) 2.642 6.587 ( -0.571 0.503 3.744) 3.820 6.610 ( -1.931 0.652 0.554) 2.112 6.822 ( 0.421 0.229 0.467) 0.669 6.850 ( 0.964 -1.105 -0.424) 1.526 6.976 ( 0.373 -0.478 3.352) 3.407 7.172 ( 1.096 0.752 -5.020) 5.193 ======================= Grid point 105 (50/78) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -3.176 3.089 -0.150) 4.433 1.023 ( 0.247 -2.063 2.177) 3.009 1.047 ( -6.666 1.286 -4.301) 8.037 1.156 ( -2.975 -3.096 6.181) 7.526 1.296 ( 0.421 3.385 2.430) 4.189 1.369 ( -2.904 1.505 -2.858) 4.343 1.421 ( -3.504 0.330 1.358) 3.773 1.435 ( 2.144 1.340 3.971) 4.708 1.564 ( -7.357 3.318 1.266) 8.169 1.571 ( 1.027 0.687 3.026) 3.268 1.722 ( 3.201 3.523 -5.058) 6.945 1.746 ( 1.479 -4.939 -2.729) 5.833 1.836 ( 2.864 -1.986 -6.751) 7.597 2.000 ( 1.880 -0.383 -4.194) 4.612 2.064 ( -0.848 -0.606 -0.431) 1.128 2.102 ( -0.954 -2.626 1.260) 3.065 2.174 ( 4.370 -1.787 2.005) 5.129 2.211 ( 2.705 -1.323 4.808) 5.673 2.258 ( 2.401 -0.259 1.407) 2.794 2.481 ( -4.561 -0.231 -2.594) 5.252 2.548 ( 1.048 4.933 3.385) 6.074 2.667 ( 0.804 0.706 -1.404) 1.765 2.797 ( 1.022 -2.854 -2.510) 3.936 2.864 ( 1.628 0.514 -3.368) 3.776 2.883 ( -0.748 -0.990 0.192) 1.255 3.061 ( 3.155 1.415 -3.840) 5.168 3.260 ( -2.518 1.785 2.962) 4.278 3.309 ( -3.496 1.098 0.861) 3.764 3.321 ( -3.497 4.864 -2.670) 6.559 3.478 ( 3.628 -5.007 1.438) 6.348 3.704 ( -2.009 2.783 4.718) 5.835 3.758 ( -1.059 -7.050 4.465) 8.412 3.864 ( -1.267 2.138 0.171) 2.491 3.894 ( -0.177 6.111 2.650) 6.663 4.015 ( -2.049 -0.430 -3.241) 3.859 4.041 ( -1.522 2.708 -1.336) 3.381 4.172 ( 0.306 -0.221 1.058) 1.124 4.220 ( 0.794 -1.730 -4.911) 5.267 4.955 ( -1.007 0.752 0.673) 1.426 5.048 ( -0.813 1.002 0.079) 1.293 5.082 ( -1.296 -0.149 0.415) 1.369 5.153 ( -0.498 -0.526 0.815) 1.091 5.207 ( -0.405 0.566 -3.173) 3.249 5.322 ( 0.661 -1.003 -3.351) 3.560 5.387 ( -0.458 0.408 -0.365) 0.713 5.416 ( 0.993 -0.422 0.481) 1.181 6.366 ( -1.320 -1.066 1.059) 2.001 6.468 ( 1.311 0.675 -0.814) 1.684 6.552 ( -3.103 1.199 0.735) 3.407 6.604 ( -0.018 0.360 2.461) 2.487 6.820 ( -0.144 0.199 -0.099) 0.265 6.890 ( 1.686 -1.663 0.395) 2.401 6.998 ( 0.457 0.233 2.659) 2.708 7.167 ( 3.084 0.028 -3.754) 4.859 ======================= Grid point 106 (51/78) ======================= q-point: (-0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -3.941 2.751 2.972) 5.651 0.901 ( -8.715 3.179 -2.811) 9.694 1.043 ( -5.124 -4.143 -2.579) 7.076 1.184 ( 0.133 0.022 4.440) 4.442 1.237 ( -2.694 1.931 -5.513) 6.432 1.298 ( -2.876 0.582 3.103) 4.271 1.390 ( 0.977 2.063 -1.053) 2.514 1.440 ( 2.214 1.841 7.257) 7.807 1.536 ( -0.837 -1.302 1.087) 1.892 1.621 ( 3.514 -2.257 2.151) 4.698 1.664 ( 0.955 3.395 -7.130) 7.954 1.822 ( 0.867 -1.317 2.865) 3.270 1.897 ( 2.713 -4.917 -7.087) 9.042 2.012 ( 1.935 0.526 -1.800) 2.694 2.060 ( 0.160 -1.105 0.643) 1.288 2.159 ( -0.144 -2.300 4.661) 5.199 2.205 ( 0.804 1.149 5.206) 5.392 2.296 ( 1.536 -3.252 2.384) 4.315 2.325 ( 5.508 0.296 0.045) 5.516 2.452 ( -0.049 -1.773 -2.767) 3.287 2.503 ( -2.585 0.601 0.971) 2.826 2.664 ( 0.779 -0.016 -3.575) 3.659 2.793 ( 0.597 1.543 -6.212) 6.429 2.866 ( -0.845 -0.214 -1.331) 1.591 2.880 ( -1.681 0.290 2.435) 2.974 3.037 ( 1.721 2.355 -1.773) 3.414 3.197 ( -2.082 4.536 -2.845) 5.745 3.216 ( -2.783 0.952 1.100) 3.140 3.265 ( -3.262 0.207 0.541) 3.313 3.551 ( -0.984 -0.895 0.938) 1.628 3.694 ( 0.363 -0.596 3.026) 3.106 3.777 ( -1.329 3.785 2.481) 4.717 3.805 ( 1.043 3.739 -0.040) 3.882 3.894 ( -0.493 -4.412 5.636) 7.175 3.968 ( -0.710 2.189 -1.117) 2.558 4.012 ( -1.028 -0.602 -3.369) 3.573 4.174 ( 0.264 0.656 -0.103) 0.715 4.260 ( 1.067 -3.506 -4.979) 6.182 4.927 ( -1.484 1.257 -0.727) 2.077 5.000 ( -2.410 1.704 0.125) 2.954 5.078 ( -0.763 -0.112 2.071) 2.210 5.136 ( 0.333 0.889 -2.473) 2.649 5.213 ( 0.027 -1.147 0.307) 1.188 5.328 ( 0.623 -0.124 -1.855) 1.961 5.379 ( -0.068 0.065 -1.350) 1.353 5.437 ( 1.440 -0.186 0.076) 1.454 6.375 ( -1.800 -1.705 0.976) 2.665 6.461 ( 0.635 1.076 -0.520) 1.353 6.509 ( -2.559 0.592 0.333) 2.648 6.607 ( 0.279 0.425 2.039) 2.102 6.817 ( 0.108 -0.015 -0.415) 0.429 6.924 ( 0.665 -0.855 0.378) 1.147 6.982 ( -0.784 1.882 0.095) 2.041 7.217 ( 4.206 -1.424 -0.506) 4.469 ======================= Grid point 112 (52/78) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -7.384 -0.000 1.898) 7.624 1.017 ( -10.281 -0.000 -7.799) 12.905 1.057 ( -4.929 -0.000 4.745) 6.842 1.071 ( 8.057 0.000 7.033) 10.695 1.352 ( 0.561 0.000 2.696) 2.754 1.391 ( 1.749 0.000 0.246) 1.766 1.427 ( -1.656 -0.000 -4.434) 4.734 1.471 ( 2.225 0.000 3.112) 3.825 1.545 ( -0.411 -0.000 5.048) 5.064 1.633 ( -4.063 -0.000 -0.654) 4.115 1.731 ( 0.077 0.000 2.883) 2.884 1.813 ( 2.049 0.000 -7.741) 8.008 1.848 ( -2.794 -0.000 -4.561) 5.349 1.886 ( -7.765 -0.000 -5.410) 9.464 2.019 ( 4.738 0.000 -3.166) 5.698 2.087 ( 3.523 0.000 0.804) 3.614 2.148 ( -0.689 -0.000 5.124) 5.170 2.167 ( 0.782 0.000 -4.940) 5.002 2.267 ( -2.151 -0.000 6.637) 6.976 2.493 ( -3.262 -0.000 -1.685) 3.672 2.634 ( -1.485 -0.000 0.459) 1.554 2.692 ( 0.318 0.000 2.993) 3.010 2.798 ( 3.578 0.000 1.611) 3.924 2.825 ( 3.440 0.000 -0.662) 3.503 2.890 ( 2.182 0.000 -6.010) 6.394 3.066 ( 9.894 0.000 -4.082) 10.703 3.293 ( -1.487 -0.000 1.883) 2.399 3.315 ( -4.009 -0.000 -2.809) 4.895 3.393 ( -0.931 -0.000 2.131) 2.325 3.413 ( 0.216 0.000 0.842) 0.869 3.623 ( -3.060 -0.000 3.410) 4.582 3.759 ( -3.467 -0.000 4.263) 5.495 3.840 ( -0.115 -0.000 -2.349) 2.352 3.998 ( 2.950 0.000 2.769) 4.046 4.048 ( -1.861 -0.000 1.982) 2.719 4.108 ( -4.365 -0.000 -1.204) 4.528 4.150 ( -2.576 -0.000 0.912) 2.732 4.189 ( -1.067 -0.000 -6.134) 6.226 4.969 ( -1.484 -0.000 1.450) 2.075 5.059 ( 0.626 0.000 2.280) 2.365 5.081 ( -0.256 -0.000 -2.621) 2.633 5.126 ( 0.045 0.000 1.011) 1.012 5.243 ( -1.231 -0.000 -3.658) 3.859 5.289 ( 2.089 0.000 -3.274) 3.884 5.400 ( 0.116 0.000 -0.072) 0.136 5.406 ( -0.195 -0.000 0.382) 0.429 6.351 ( -1.427 -0.000 0.484) 1.506 6.481 ( 2.798 0.000 -0.374) 2.823 6.583 ( -3.434 -0.000 0.028) 3.434 6.602 ( -0.584 -0.000 3.673) 3.719 6.838 ( 0.925 0.000 0.892) 1.285 6.841 ( 0.568 0.000 -0.832) 1.008 6.995 ( 1.513 0.000 4.196) 4.460 7.177 ( 2.234 0.000 -5.543) 5.976 ======================= Grid point 113 (53/78) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -7.335 -0.011 1.285) 7.447 0.885 ( -12.248 -3.101 -8.981) 15.501 0.997 ( -7.092 1.871 6.128) 9.558 1.170 ( 3.760 -0.512 5.150) 6.397 1.318 ( -4.190 2.435 -2.910) 5.653 1.361 ( -3.746 2.236 -1.392) 4.579 1.422 ( 0.608 0.146 5.688) 5.722 1.501 ( -4.224 2.691 -0.019) 5.008 1.527 ( 1.646 0.348 0.030) 1.682 1.606 ( 0.845 -0.163 7.641) 7.689 1.688 ( -0.678 -1.488 -1.974) 2.563 1.813 ( 4.179 2.181 -3.359) 5.788 1.822 ( 2.989 -0.919 -5.639) 6.448 1.891 ( -5.394 -6.619 -3.776) 9.336 2.068 ( 4.489 -0.852 -1.810) 4.915 2.097 ( -0.620 1.957 -0.388) 2.089 2.162 ( 2.375 -3.636 2.605) 5.064 2.221 ( 0.260 -3.670 -0.977) 3.807 2.280 ( 3.061 1.357 5.223) 6.204 2.449 ( -1.740 1.061 -0.717) 2.160 2.622 ( -0.184 1.547 0.205) 1.571 2.704 ( 0.977 0.566 1.755) 2.087 2.808 ( 3.649 3.116 0.705) 4.850 2.865 ( 1.234 -0.643 -0.643) 1.533 2.892 ( 3.138 0.608 -4.034) 5.147 3.106 ( 2.009 2.141 -5.895) 6.586 3.231 ( -5.496 1.495 -3.303) 6.584 3.284 ( -3.454 0.070 1.540) 3.783 3.376 ( 0.092 3.806 1.500) 4.092 3.450 ( 2.721 -3.537 1.953) 4.871 3.639 ( -3.237 -4.962 3.042) 6.660 3.745 ( -0.448 0.641 4.306) 4.377 3.845 ( -1.228 -1.726 -1.688) 2.709 3.970 ( -5.860 2.367 -1.999) 6.629 3.998 ( 0.657 4.232 1.410) 4.509 4.052 ( -3.352 0.113 -0.354) 3.372 4.120 ( -2.286 -0.066 -1.291) 2.626 4.202 ( 0.594 -2.575 -1.623) 3.101 4.952 ( -1.633 0.393 1.243) 2.090 5.051 ( -1.572 1.361 -2.190) 3.020 5.077 ( 0.633 0.075 1.326) 1.471 5.141 ( 0.042 -0.941 1.120) 1.464 5.202 ( -1.381 1.050 -2.671) 3.185 5.312 ( 1.959 -0.941 -2.636) 3.416 5.389 ( -0.229 0.596 -0.831) 1.048 5.418 ( 0.673 -0.977 -0.029) 1.186 6.342 ( -1.218 -0.487 0.569) 1.430 6.499 ( 1.835 0.987 0.031) 2.084 6.534 ( -3.540 0.975 0.336) 3.687 6.607 ( -0.904 -0.390 2.130) 2.347 6.829 ( 0.411 0.904 -0.096) 0.997 6.877 ( 0.981 -1.971 0.432) 2.244 7.029 ( 1.969 0.638 3.530) 4.092 7.188 ( 3.531 -0.155 -4.764) 5.931 ======================= Grid point 114 (54/78) ======================= q-point: (-0.12 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -11.273 0.626 4.695) 12.227 0.789 ( -8.251 -4.869 -11.151) 14.701 0.902 ( -9.296 -0.109 8.359) 12.503 1.174 ( -6.095 0.958 -5.622) 8.347 1.221 ( 0.662 0.867 1.959) 2.243 1.305 ( -1.125 0.876 2.431) 2.819 1.451 ( 0.507 -0.333 4.043) 4.088 1.460 ( 0.521 -0.312 -0.955) 1.131 1.565 ( 4.001 1.877 2.830) 5.248 1.645 ( 1.668 -0.147 5.083) 5.352 1.695 ( 0.855 0.712 -5.549) 5.659 1.834 ( 0.703 -0.652 2.383) 2.569 1.845 ( 2.765 -1.698 -7.090) 7.797 1.926 ( -4.603 -6.100 -1.745) 7.839 2.073 ( 0.813 0.537 1.313) 1.635 2.139 ( 2.823 -2.233 1.449) 3.880 2.243 ( -0.084 -0.127 1.931) 1.937 2.258 ( 2.169 -3.528 0.210) 4.147 2.337 ( 3.186 -1.383 2.621) 4.351 2.433 ( 0.290 -0.371 -0.575) 0.743 2.569 ( 0.492 5.240 0.226) 5.268 2.704 ( 2.137 2.317 -0.749) 3.239 2.787 ( 0.047 0.988 -3.459) 3.598 2.872 ( 0.328 0.669 -0.119) 0.754 2.895 ( 2.122 2.419 -1.739) 3.658 3.059 ( -1.267 0.135 -4.727) 4.895 3.135 ( -5.538 0.652 -2.749) 6.218 3.228 ( -4.361 2.124 1.584) 5.103 3.323 ( 2.526 4.991 1.258) 5.734 3.518 ( -1.062 -1.999 1.349) 2.635 3.691 ( -0.691 -1.949 2.037) 2.903 3.752 ( -1.718 -1.677 0.048) 2.401 3.850 ( 0.144 -1.406 5.145) 5.336 3.907 ( -2.044 1.148 -0.680) 2.441 3.947 ( -1.568 -0.691 -2.848) 3.324 4.002 ( -1.255 3.059 -0.209) 3.313 4.110 ( -3.301 -2.930 -1.358) 4.618 4.240 ( 1.479 -1.595 -2.660) 3.436 4.925 ( -1.793 1.226 -0.586) 2.250 4.993 ( -2.859 1.196 -0.100) 3.100 5.087 ( 0.790 0.373 1.978) 2.162 5.139 ( -0.450 0.472 -1.713) 1.833 5.198 ( 0.613 -1.306 0.117) 1.448 5.333 ( 1.655 -0.178 -1.714) 2.389 5.377 ( 0.037 0.319 -1.850) 1.878 5.446 ( 1.605 -1.174 -1.186) 2.316 6.342 ( -1.040 -0.778 1.168) 1.747 6.486 ( -1.914 0.815 0.734) 2.206 6.497 ( 0.440 1.422 0.069) 1.490 6.612 ( -0.452 -0.555 1.287) 1.472 6.823 ( 0.480 0.525 -0.170) 0.731 6.912 ( 0.163 -1.416 0.387) 1.477 7.019 ( 0.333 3.154 0.241) 3.180 7.234 ( 3.595 -1.512 -1.335) 4.123 ======================= Grid point 121 (55/78) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -14.595 -0.000 -7.780) 16.539 0.724 ( -9.404 -0.000 3.800) 10.142 0.962 ( -8.039 -0.000 8.649) 11.808 1.201 ( -0.628 -0.000 -0.181) 0.654 1.279 ( -7.617 -0.000 1.850) 7.838 1.299 ( -8.022 -0.000 -6.373) 10.245 1.448 ( -4.571 -0.000 -1.118) 4.706 1.459 ( 1.753 0.000 6.395) 6.631 1.540 ( -4.526 -0.000 -2.710) 5.275 1.629 ( 2.910 0.000 2.138) 3.611 1.676 ( 2.898 0.000 8.552) 9.030 1.773 ( 1.154 0.000 -2.797) 3.026 1.834 ( 3.652 0.000 -6.245) 7.235 1.898 ( 5.162 0.000 -2.191) 5.608 2.093 ( -2.972 -0.000 1.676) 3.412 2.108 ( 5.605 0.000 -2.932) 6.326 2.163 ( 2.123 0.000 2.168) 3.034 2.222 ( 5.045 0.000 -2.431) 5.600 2.339 ( 2.638 0.000 4.526) 5.239 2.439 ( -1.266 -0.000 0.350) 1.314 2.635 ( 1.017 0.000 -0.942) 1.387 2.716 ( 0.049 0.000 2.323) 2.324 2.866 ( 0.254 0.000 -2.886) 2.897 2.868 ( 1.647 0.000 -1.150) 2.009 2.943 ( 4.803 0.000 2.017) 5.210 3.067 ( -6.485 -0.000 -10.103) 12.005 3.210 ( -2.068 -0.000 -2.658) 3.367 3.242 ( -3.051 -0.000 0.654) 3.121 3.442 ( 2.040 0.000 1.264) 2.400 3.450 ( 3.094 0.000 2.988) 4.302 3.566 ( -2.824 -0.000 3.128) 4.214 3.761 ( -0.520 -0.000 3.226) 3.268 3.788 ( -3.226 -0.000 -4.764) 5.754 3.938 ( -5.478 -0.000 0.008) 5.478 3.962 ( -5.082 -0.000 -5.103) 7.202 4.035 ( -1.623 -0.000 0.353) 1.661 4.128 ( -2.274 -0.000 3.266) 3.979 4.167 ( 1.507 0.000 -0.735) 1.677 4.941 ( -1.850 -0.000 1.609) 2.452 5.038 ( -1.378 -0.000 -4.544) 4.748 5.094 ( 1.043 0.000 0.785) 1.306 5.140 ( 0.243 0.000 1.476) 1.496 5.182 ( -2.433 -0.000 -0.852) 2.578 5.315 ( 1.720 0.000 -2.877) 3.352 5.384 ( -0.982 -0.000 -2.168) 2.380 5.411 ( 0.381 0.000 -0.066) 0.386 6.332 ( -0.540 -0.000 1.431) 1.529 6.505 ( -3.507 -0.000 0.538) 3.548 6.527 ( 1.127 0.000 1.227) 1.666 6.593 ( -1.408 -0.000 0.713) 1.578 6.853 ( 0.897 0.000 -0.645) 1.105 6.862 ( 0.405 0.000 1.415) 1.472 7.078 ( 3.034 0.000 3.749) 4.823 7.206 ( 3.973 0.000 -6.373) 7.510 ======================= Grid point 122 (56/78) ======================= q-point: (-0.12 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -13.196 -5.270 -3.006) 14.524 0.622 ( -12.362 0.155 5.762) 13.640 0.867 ( -9.070 2.085 11.189) 14.554 1.111 ( -5.650 2.003 -7.016) 9.228 1.206 ( -3.295 -1.177 -2.501) 4.300 1.263 ( -7.495 -5.641 3.493) 10.010 1.406 ( -0.225 0.849 -2.119) 2.294 1.503 ( 0.757 -1.063 5.496) 5.649 1.547 ( -2.482 -5.193 -3.387) 6.678 1.666 ( 2.797 1.588 2.039) 3.808 1.712 ( 1.489 1.792 3.387) 4.111 1.796 ( 0.463 -0.251 0.561) 0.769 1.862 ( 5.656 0.509 -5.041) 7.593 1.930 ( 4.615 1.082 -0.537) 4.771 2.080 ( -0.454 -0.198 1.769) 1.837 2.162 ( 4.136 -0.538 -0.608) 4.215 2.214 ( 1.432 -2.728 1.805) 3.571 2.281 ( 5.988 -0.896 -3.115) 6.808 2.370 ( 1.827 0.258 3.096) 3.605 2.433 ( -0.969 0.005 1.657) 1.920 2.626 ( 0.797 2.295 -1.004) 2.629 2.723 ( -0.595 -0.272 0.543) 0.850 2.811 ( -1.980 3.470 -4.093) 5.719 2.877 ( 0.169 -0.025 -0.004) 0.171 2.942 ( -4.630 1.322 -6.468) 8.063 3.005 ( 1.499 -1.138 -0.953) 2.110 3.124 ( -2.471 4.535 -3.350) 6.156 3.215 ( -3.424 1.015 1.844) 4.019 3.436 ( 4.061 4.161 1.958) 6.135 3.484 ( -1.692 -1.185 1.130) 2.354 3.630 ( 0.749 -5.847 3.292) 6.752 3.709 ( -5.140 0.447 -3.541) 6.258 3.788 ( -3.326 -4.387 -3.109) 6.323 3.875 ( -0.255 0.814 2.151) 2.314 3.926 ( -2.341 -0.569 -3.737) 4.446 4.007 ( -2.432 -0.294 1.033) 2.659 4.091 ( -1.977 2.397 1.783) 3.583 4.206 ( 0.625 -2.310 -1.083) 2.627 4.921 ( -1.778 0.876 0.052) 1.983 4.978 ( -3.081 1.651 -2.193) 4.127 5.107 ( 0.988 -0.191 -0.542) 1.143 5.138 ( -0.627 0.762 0.542) 1.126 5.182 ( 0.522 -2.153 0.656) 2.310 5.329 ( 0.277 -1.976 -4.622) 5.034 5.369 ( -0.077 -0.018 -1.925) 1.927 5.424 ( 0.235 -1.464 -1.066) 1.826 6.341 ( 0.787 -0.016 3.297) 3.389 6.468 ( -2.688 0.469 1.006) 2.908 6.532 ( 0.432 0.976 1.990) 2.258 6.590 ( -0.872 -1.220 -0.365) 1.544 6.843 ( 0.765 1.172 0.298) 1.431 6.890 ( -0.067 -1.567 0.570) 1.669 7.084 ( 1.375 4.012 0.215) 4.246 7.239 ( 3.079 -1.450 -4.290) 5.476 ======================= Grid point 130 (57/78) ======================= q-point: (-0.12 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( -10.116 -0.000 8.148) 12.989 0.510 ( -14.330 -0.000 8.867) 16.851 0.791 ( -17.312 -0.000 21.367) 27.500 1.057 ( -4.253 -0.000 -8.230) 9.264 1.066 ( -3.317 -0.000 -11.384) 11.858 1.179 ( -3.460 -0.000 4.821) 5.935 1.431 ( 0.501 0.000 1.084) 1.194 1.436 ( -2.386 -0.000 -2.631) 3.551 1.561 ( 3.199 0.000 2.367) 3.979 1.723 ( 2.735 0.000 1.592) 3.165 1.748 ( 1.047 0.000 -0.123) 1.054 1.807 ( 0.289 0.000 1.232) 1.265 1.935 ( 7.650 0.000 -1.953) 7.895 1.978 ( 3.057 0.000 -0.882) 3.182 2.085 ( 0.251 0.000 2.364) 2.378 2.195 ( 2.405 0.000 -0.099) 2.407 2.218 ( 1.971 0.000 1.451) 2.447 2.330 ( 7.393 0.000 -4.130) 8.469 2.395 ( 0.500 0.000 1.435) 1.520 2.419 ( -2.434 -0.000 2.094) 3.211 2.663 ( 2.482 0.000 0.503) 2.533 2.689 ( -4.516 -0.000 -3.196) 5.533 2.788 ( -4.615 -0.000 -6.631) 8.079 2.824 ( -5.038 -0.000 1.827) 5.359 2.930 ( 3.242 0.000 -5.896) 6.728 2.989 ( -2.416 -0.000 1.724) 2.968 3.130 ( -2.802 -0.000 -4.389) 5.207 3.212 ( -1.242 -0.000 0.050) 1.243 3.450 ( -2.931 -0.000 1.769) 3.423 3.536 ( 4.958 0.000 3.659) 6.162 3.605 ( 2.636 0.000 2.046) 3.337 3.614 ( -7.567 -0.000 -6.438) 9.935 3.712 ( -3.872 -0.000 0.870) 3.968 3.871 ( -0.933 -0.000 -3.185) 3.319 3.916 ( 1.683 0.000 2.975) 3.418 3.957 ( -3.158 -0.000 -3.862) 4.989 4.081 ( -3.922 -0.000 2.208) 4.501 4.204 ( 0.571 0.000 -0.423) 0.711 4.912 ( -1.570 -0.000 0.757) 1.743 4.943 ( -4.241 -0.000 -6.453) 7.722 5.088 ( -1.356 -0.000 -0.900) 1.628 5.140 ( -1.453 -0.000 -0.308) 1.485 5.156 ( -0.395 -0.000 2.330) 2.364 5.262 ( -3.092 -0.000 -3.547) 4.706 5.374 ( 1.076 0.000 -0.599) 1.231 5.417 ( 0.335 0.000 -0.590) 0.678 6.386 ( 4.320 0.000 5.565) 7.045 6.454 ( -1.135 -0.000 2.413) 2.667 6.538 ( -1.634 -0.000 2.313) 2.832 6.574 ( 0.162 0.000 -0.477) 0.504 6.869 ( 0.878 0.000 -0.239) 0.910 6.872 ( -0.418 -0.000 1.382) 1.444 7.149 ( 1.567 0.000 0.401) 1.618 7.217 ( -0.085 -0.000 -9.527) 9.527 ======================= Grid point 131 (58/78) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 2.187 0.000 -5.806) 6.204 0.641 ( -2.187 -0.000 5.806) 6.204 0.755 ( 0.025 0.000 -4.427) 4.427 0.755 ( -0.025 -0.000 4.427) 4.427 1.291 ( -0.295 -0.000 -3.666) 3.678 1.291 ( 0.295 0.000 3.666) 3.678 1.368 ( -2.450 -0.000 -18.878) 19.036 1.368 ( 2.450 0.000 18.878) 19.036 1.573 ( 0.560 0.000 -0.846) 1.015 1.573 ( -0.560 -0.000 0.846) 1.015 1.790 ( -0.566 -0.000 -0.332) 0.657 1.790 ( 0.566 0.000 0.332) 0.657 2.013 ( 0.803 0.000 -0.285) 0.852 2.013 ( -0.803 -0.000 0.285) 0.852 2.168 ( -0.168 -0.000 -4.021) 4.024 2.168 ( 0.168 0.000 4.021) 4.024 2.279 ( 3.825 0.000 -1.491) 4.106 2.279 ( -3.825 -0.000 1.491) 4.106 2.438 ( -3.159 -0.000 0.047) 3.159 2.438 ( 3.159 0.000 -0.047) 3.159 2.614 ( 0.067 0.000 -3.119) 3.120 2.614 ( -0.067 -0.000 3.119) 3.120 2.875 ( -7.772 -0.000 -1.248) 7.871 2.875 ( 7.772 0.000 1.248) 7.871 2.930 ( -6.461 -0.000 1.376) 6.606 2.930 ( 6.461 0.000 -1.376) 6.606 3.002 ( -7.602 -0.000 -1.224) 7.700 3.002 ( 7.602 0.000 1.224) 7.700 3.460 ( -0.876 -0.000 -0.883) 1.244 3.460 ( 0.876 0.000 0.883) 1.244 3.678 ( 1.285 0.000 -1.078) 1.677 3.678 ( -1.285 -0.000 1.078) 1.677 3.741 ( -0.966 -0.000 -4.136) 4.247 3.741 ( 0.966 0.000 4.136) 4.247 3.975 ( -7.829 -0.000 -0.834) 7.873 3.975 ( 7.829 0.000 0.834) 7.873 4.069 ( -4.003 -0.000 -2.733) 4.847 4.069 ( 4.003 0.000 2.733) 4.847 4.887 ( -2.292 -0.000 0.614) 2.373 4.887 ( 2.292 0.000 -0.614) 2.373 5.063 ( -0.286 -0.000 -0.564) 0.633 5.063 ( 0.286 0.000 0.564) 0.633 5.227 ( 0.708 0.000 -2.123) 2.238 5.227 ( -0.708 -0.000 2.123) 2.238 5.394 ( -0.329 -0.000 -0.770) 0.837 5.394 ( 0.329 0.000 0.770) 0.837 6.483 ( -0.231 -0.000 -2.441) 2.452 6.483 ( 0.231 0.000 2.441) 2.452 6.625 ( 4.059 0.000 -3.115) 5.117 6.625 ( -4.059 -0.000 3.115) 5.117 6.889 ( 0.749 0.000 -0.328) 0.818 6.889 ( -0.749 -0.000 0.328) 0.818 7.069 ( -0.433 -0.000 -3.302) 3.330 7.069 ( 0.433 0.000 3.302) 3.330 ======================= Grid point 133 (59/78) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 4.492 -1.355 -5.989) 7.608 0.710 ( -3.575 -1.018 -7.078) 7.995 0.734 ( 4.121 -2.426 6.662) 8.201 0.827 ( 3.681 -7.058 5.812) 9.856 1.232 ( 0.203 1.678 -11.291) 11.416 1.313 ( 1.358 0.535 4.595) 4.821 1.377 ( 1.367 -7.447 -11.257) 13.566 1.474 ( 0.416 -3.155 5.199) 6.096 1.543 ( -1.191 3.165 2.476) 4.191 1.603 ( 3.585 -0.333 6.702) 7.607 1.750 ( -0.481 3.264 -0.587) 3.351 1.760 ( -0.115 3.697 0.862) 3.797 1.991 ( -2.514 0.807 -1.239) 2.917 2.020 ( -0.228 -0.697 -1.199) 1.406 2.136 ( -2.371 0.728 0.138) 2.484 2.181 ( -0.278 -0.275 4.517) 4.534 2.243 ( -3.592 -0.363 -0.057) 3.611 2.313 ( 2.113 -1.423 -3.309) 4.176 2.409 ( -1.013 0.789 -1.255) 1.795 2.470 ( 2.036 0.458 0.316) 2.111 2.613 ( 1.020 -0.253 -2.593) 2.798 2.628 ( 0.300 0.077 3.721) 3.734 2.788 ( -5.227 0.119 -1.670) 5.489 2.871 ( -4.802 -0.058 -0.697) 4.853 2.926 ( 1.733 0.907 -3.080) 3.649 2.938 ( -0.969 1.271 2.668) 3.110 3.005 ( 5.193 -0.847 -0.948) 5.347 3.123 ( 7.478 -3.014 3.355) 8.733 3.434 ( 1.067 2.499 0.126) 2.721 3.456 ( 2.215 2.187 0.733) 3.198 3.651 ( -3.986 0.574 -2.449) 4.713 3.698 ( -1.459 -2.571 0.041) 2.957 3.739 ( 1.011 -0.807 -0.629) 1.438 3.815 ( 5.558 -2.807 2.959) 6.894 3.901 ( -5.265 -1.646 -1.850) 5.818 4.029 ( 3.701 2.656 1.377) 4.759 4.057 ( -2.692 -4.201 -1.475) 5.203 4.148 ( 3.706 -2.828 0.741) 4.721 4.872 ( -0.793 -0.304 0.184) 0.869 4.912 ( 2.451 -0.225 -0.340) 2.485 5.062 ( -0.540 -0.190 0.187) 0.603 5.112 ( 3.388 -2.767 0.500) 4.403 5.226 ( -0.763 -0.097 1.276) 1.490 5.232 ( 1.414 -0.533 -2.921) 3.289 5.384 ( -0.750 0.264 -0.671) 1.041 5.400 ( 0.378 -0.111 0.572) 0.695 6.475 ( 0.089 -0.081 -2.006) 2.009 6.492 ( -0.155 0.721 1.929) 2.065 6.573 ( -4.054 -0.027 0.388) 4.072 6.621 ( 0.087 1.759 -2.946) 3.432 6.875 ( -1.118 0.630 -0.011) 1.283 6.898 ( 1.105 -0.305 -0.653) 1.320 7.040 ( -1.640 1.850 -0.131) 2.476 7.122 ( 3.616 -1.986 3.294) 5.279 ======================= Grid point 134 (60/78) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -2.176 -2.430 -4.659) 5.687 0.764 ( 4.424 -4.544 -8.267) 10.420 0.822 ( 3.105 -1.309 8.710) 9.339 1.023 ( 2.636 -8.780 1.466) 9.284 1.188 ( 1.797 1.367 -8.115) 8.423 1.331 ( 0.143 -0.053 3.467) 3.470 1.440 ( -0.681 0.812 -2.376) 2.602 1.495 ( -1.658 -1.010 1.722) 2.595 1.553 ( 3.483 -3.162 2.186) 5.187 1.646 ( -0.333 1.935 2.752) 3.381 1.714 ( 1.107 1.800 -1.915) 2.851 1.731 ( 5.121 0.016 1.096) 5.237 1.925 ( -2.656 2.560 -3.931) 5.391 2.016 ( -0.512 -0.238 -2.008) 2.086 2.122 ( -1.539 -1.461 1.331) 2.505 2.197 ( -1.122 0.189 5.100) 5.225 2.218 ( -2.717 -1.378 0.028) 3.046 2.346 ( 0.985 -2.331 -4.191) 4.895 2.384 ( 1.634 1.849 -1.484) 2.879 2.460 ( -0.030 2.240 1.351) 2.616 2.590 ( -1.033 2.998 -0.422) 3.199 2.633 ( -0.602 0.630 1.581) 1.805 2.786 ( -0.008 -1.979 1.747) 2.640 2.824 ( -2.521 -0.697 -2.853) 3.870 2.897 ( -5.666 -1.674 -0.743) 5.954 2.922 ( 4.109 3.933 0.040) 5.688 3.063 ( 4.216 -0.252 0.068) 4.224 3.215 ( 3.037 0.421 -0.772) 3.162 3.410 ( -0.507 2.981 1.117) 3.223 3.488 ( 1.838 -1.808 5.065) 5.684 3.594 ( 0.398 -0.947 -5.248) 5.348 3.721 ( -1.890 -2.384 3.198) 4.414 3.781 ( 1.211 -2.354 1.217) 2.913 3.892 ( -0.038 -1.154 0.355) 1.208 3.915 ( 3.773 -1.083 -1.371) 4.158 4.025 ( 1.394 1.350 1.002) 2.184 4.080 ( -2.933 -3.369 -0.540) 4.499 4.217 ( 2.378 -1.960 -2.413) 3.914 4.877 ( 0.146 -0.423 0.211) 0.494 4.949 ( 2.486 -1.039 0.509) 2.742 5.056 ( -0.845 0.162 0.676) 1.094 5.165 ( 0.373 -0.047 0.880) 0.957 5.225 ( -0.876 -0.642 0.758) 1.325 5.268 ( 3.088 -1.847 -1.956) 4.095 5.366 ( -1.115 0.446 -0.610) 1.347 5.414 ( 0.824 -0.633 0.509) 1.157 6.451 ( -2.588 1.150 -1.707) 3.307 6.475 ( 0.591 0.242 -1.252) 1.406 6.563 ( -2.818 2.529 -1.230) 3.982 6.580 ( 0.723 -1.754 1.489) 2.412 6.848 ( -1.060 1.059 -0.326) 1.533 6.916 ( 1.129 -0.660 -0.577) 1.430 6.989 ( -1.505 2.276 0.636) 2.802 7.200 ( 3.094 -1.647 2.529) 4.322 ======================= Grid point 135 (61/78) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 0.047 -4.328 -1.857) 4.710 0.855 ( 4.465 -4.425 -6.784) 9.249 0.906 ( 2.742 -1.238 7.982) 8.530 1.077 ( -3.593 -0.658 -6.417) 7.384 1.207 ( 2.692 -1.930 1.200) 3.523 1.335 ( -0.506 0.206 -0.339) 0.643 1.408 ( -0.368 1.410 3.269) 3.579 1.505 ( -0.356 -1.028 -1.313) 1.705 1.565 ( -1.809 1.934 2.887) 3.918 1.621 ( 0.865 1.745 3.272) 3.808 1.705 ( 0.274 1.000 -0.532) 1.166 1.814 ( -2.082 2.205 -4.042) 5.054 1.901 ( 8.674 -4.897 -1.277) 10.042 2.013 ( 0.336 -0.458 -1.771) 1.860 2.145 ( -1.261 -2.099 -1.334) 2.788 2.174 ( -1.907 1.284 5.120) 5.612 2.244 ( -0.726 -4.375 0.735) 4.496 2.372 ( 3.922 2.327 -3.452) 5.720 2.377 ( -0.553 -1.305 0.962) 1.713 2.431 ( 1.707 2.742 0.685) 3.302 2.532 ( 0.116 2.145 -4.305) 4.812 2.591 ( -3.127 2.488 1.219) 4.177 2.736 ( -5.259 3.992 -1.113) 6.696 2.828 ( 0.684 -0.402 1.587) 1.774 2.887 ( -3.322 -2.995 -1.026) 4.589 2.957 ( 4.435 -2.544 2.751) 5.806 3.108 ( 3.038 -0.292 0.207) 3.059 3.200 ( -0.455 1.395 -2.087) 2.551 3.320 ( -4.191 4.245 -0.665) 6.002 3.536 ( 0.856 -1.380 1.571) 2.259 3.663 ( 3.593 -2.435 -1.547) 4.608 3.752 ( -1.300 -1.363 3.793) 4.235 3.833 ( 3.219 -0.848 4.058) 5.248 3.905 ( 0.528 -0.129 -0.243) 0.595 3.936 ( -0.125 -0.285 -0.675) 0.743 4.045 ( -0.119 -3.776 -2.559) 4.563 4.097 ( 0.869 -0.105 1.011) 1.337 4.233 ( -0.097 0.561 -3.030) 3.083 4.885 ( 0.126 -0.291 0.115) 0.337 4.990 ( 1.711 -0.854 0.122) 1.916 5.047 ( -0.470 0.238 0.946) 1.082 5.152 ( -0.728 0.797 -0.118) 1.086 5.232 ( -0.309 -0.763 0.189) 0.844 5.309 ( 1.395 -0.490 0.419) 1.537 5.345 ( -1.181 0.244 -0.697) 1.392 5.436 ( 0.548 -0.643 0.685) 1.087 6.411 ( -1.071 0.297 -2.580) 2.809 6.468 ( -0.422 1.490 0.328) 1.583 6.497 ( -2.188 0.771 -0.547) 2.383 6.621 ( 1.008 -1.202 1.244) 2.002 6.822 ( -0.599 0.836 -0.377) 1.096 6.933 ( 0.580 -0.432 -0.261) 0.769 6.951 ( -0.565 1.367 0.453) 1.547 7.252 ( 1.607 -0.877 1.223) 2.202 ======================= Grid point 136 (62/78) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -0.000 0.000 0.000) 0.000 0.929 ( 0.000 -0.000 -0.000) 0.000 0.941 ( -0.000 0.000 0.000) 0.000 1.029 ( 0.000 -0.000 0.000) 0.000 1.244 ( -0.000 0.000 -0.000) 0.000 1.324 ( 0.000 0.000 0.000) 0.000 1.401 ( -0.000 0.000 -0.000) 0.000 1.505 ( -0.000 0.000 0.000) 0.000 1.545 ( -0.000 -0.000 0.000) 0.000 1.634 ( 0.000 0.000 0.000) 0.000 1.691 ( 0.000 0.000 -0.000) 0.000 1.747 ( -0.000 0.000 -0.000) 0.000 2.017 ( 0.000 0.000 0.000) 0.000 2.020 ( 0.000 -0.000 -0.000) 0.000 2.119 ( -0.000 0.000 -0.000) 0.000 2.188 ( -0.000 0.000 0.000) 0.000 2.321 ( -0.000 0.000 -0.000) 0.000 2.331 ( 0.000 0.000 -0.000) 0.000 2.395 ( 0.000 0.000 -0.000) 0.000 2.457 ( -0.000 0.000 0.000) 0.000 2.461 ( 0.000 -0.000 0.000) 0.000 2.559 ( -0.000 0.000 0.000) 0.000 2.647 ( -0.000 0.000 0.000) 0.000 2.844 ( -0.000 0.000 0.000) 0.000 2.888 ( -0.000 0.000 0.000) 0.000 3.037 ( -0.000 0.000 -0.000) 0.000 3.127 ( -0.000 0.000 -0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.242 ( -0.000 0.000 -0.000) 0.000 3.555 ( -0.000 0.000 -0.000) 0.000 3.698 ( -0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 -0.000) 0.000 3.891 ( 0.000 -0.000 0.000) 0.000 3.903 ( -0.000 0.000 0.000) 0.000 3.928 ( -0.000 0.000 -0.000) 0.000 4.073 ( -0.000 0.000 0.000) 0.000 4.130 ( -0.000 0.000 -0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.888 ( -0.000 0.000 0.000) 0.000 5.007 ( -0.000 0.000 -0.000) 0.000 5.045 ( -0.000 0.000 0.000) 0.000 5.140 ( -0.000 0.000 -0.000) 0.000 5.238 ( -0.000 0.000 -0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.333 ( -0.000 0.000 -0.000) 0.000 5.445 ( -0.000 0.000 -0.000) 0.000 6.400 ( -0.000 0.000 -0.000) 0.000 6.442 ( 0.000 0.000 0.000) 0.000 6.488 ( 0.000 0.000 0.000) 0.000 6.639 ( -0.000 0.000 0.000) 0.000 6.811 ( -0.000 0.000 0.000) 0.000 6.939 ( 0.000 0.000 -0.000) 0.000 6.939 ( -0.000 -0.000 0.000) 0.000 7.269 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 142 (63/78) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -1.236 -0.000 -12.777) 12.837 0.744 ( 6.676 0.000 -10.264) 12.244 0.787 ( 6.699 0.000 11.244) 13.088 0.835 ( 7.828 0.000 10.473) 13.075 1.256 ( 6.411 0.000 -17.962) 19.072 1.282 ( 2.191 0.000 -3.461) 4.096 1.342 ( 0.819 0.000 4.353) 4.430 1.459 ( -0.724 -0.000 0.178) 0.745 1.580 ( -0.343 -0.000 1.188) 1.237 1.647 ( 1.437 0.000 8.386) 8.508 1.763 ( -1.032 -0.000 -1.288) 1.651 1.789 ( -1.341 -0.000 1.910) 2.333 1.964 ( -2.790 -0.000 -2.859) 3.995 1.984 ( -2.967 -0.000 -1.216) 3.207 2.128 ( -1.140 -0.000 -1.620) 1.981 2.149 ( -6.170 -0.000 8.072) 10.160 2.224 ( -0.264 -0.000 -0.897) 0.936 2.275 ( -1.807 -0.000 -3.707) 4.124 2.435 ( 3.461 0.000 -2.777) 4.437 2.491 ( 0.951 0.000 -0.420) 1.039 2.619 ( 2.226 0.000 -0.489) 2.279 2.649 ( 0.111 0.000 5.370) 5.372 2.723 ( -3.919 -0.000 -3.053) 4.968 2.822 ( -3.937 -0.000 0.637) 3.989 2.871 ( -3.312 -0.000 0.954) 3.446 3.043 ( 5.924 0.000 1.596) 6.135 3.062 ( 6.500 0.000 -4.140) 7.706 3.181 ( 5.602 0.000 3.943) 6.851 3.481 ( 2.712 0.000 -0.845) 2.841 3.491 ( -0.438 -0.000 1.246) 1.321 3.629 ( -1.748 -0.000 0.480) 1.813 3.668 ( 0.534 0.000 -3.534) 3.574 3.747 ( 2.285 0.000 -2.170) 3.151 3.812 ( -5.398 -0.000 1.263) 5.544 3.864 ( 6.773 0.000 3.301) 7.535 3.984 ( -1.619 -0.000 -2.389) 2.886 4.120 ( 5.190 0.000 -1.145) 5.314 4.156 ( 0.892 0.000 3.381) 3.497 4.873 ( 0.955 0.000 1.293) 1.608 4.933 ( 2.389 0.000 -1.304) 2.722 5.082 ( 1.568 0.000 -0.653) 1.698 5.124 ( 4.567 0.000 0.482) 4.592 5.225 ( -0.671 -0.000 1.693) 1.821 5.229 ( 1.395 0.000 -3.873) 4.117 5.376 ( -0.848 -0.000 -0.850) 1.200 5.403 ( 0.064 0.000 0.585) 0.589 6.464 ( -1.668 -0.000 -1.928) 2.549 6.513 ( -2.979 -0.000 -2.323) 3.777 6.520 ( 1.531 0.000 2.543) 2.968 6.614 ( -2.169 -0.000 -2.291) 3.155 6.866 ( -1.330 -0.000 0.182) 1.343 6.899 ( 0.442 0.000 -0.758) 0.877 7.068 ( -0.930 -0.000 3.400) 3.525 7.135 ( 2.683 0.000 1.311) 2.987 ======================= Grid point 143 (64/78) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 0.162 -0.174 -5.768) 5.773 0.799 ( 7.823 -1.372 -9.024) 12.021 0.898 ( 7.832 0.467 8.704) 11.718 0.979 ( 6.573 -1.246 3.783) 7.686 1.229 ( 4.360 2.557 -5.721) 7.634 1.342 ( -0.079 -0.331 2.912) 2.931 1.408 ( 4.082 -3.566 -6.053) 8.125 1.481 ( 0.988 -2.633 1.863) 3.374 1.551 ( 0.250 0.740 1.471) 1.666 1.673 ( -1.099 0.150 3.715) 3.877 1.737 ( -0.101 1.326 -3.227) 3.490 1.768 ( -0.602 0.447 1.778) 1.929 1.910 ( -2.197 0.942 -5.050) 5.588 1.960 ( -3.362 -1.978 -2.809) 4.807 2.100 ( -1.838 -0.109 1.324) 2.268 2.135 ( -4.941 -2.338 1.653) 5.711 2.215 ( -0.634 0.348 1.042) 1.268 2.267 ( -1.583 -2.635 -2.952) 4.262 2.443 ( 2.282 1.638 -2.721) 3.911 2.488 ( 0.389 0.649 -0.341) 0.830 2.628 ( -0.468 2.406 0.406) 2.484 2.646 ( -0.347 1.047 3.748) 3.907 2.732 ( 0.092 -3.464 1.909) 3.956 2.789 ( -3.004 -0.267 1.446) 3.344 2.864 ( 0.487 -0.051 1.772) 1.839 3.040 ( 2.456 5.637 0.005) 6.148 3.106 ( 4.075 0.366 -3.697) 5.514 3.248 ( 2.676 -0.418 -0.433) 2.743 3.452 ( -2.992 3.276 2.372) 5.031 3.507 ( 2.146 -0.105 0.540) 2.215 3.614 ( 4.625 0.419 -0.255) 4.651 3.684 ( 0.342 -1.917 -0.017) 1.948 3.773 ( 2.479 -0.572 0.283) 2.560 3.821 ( -1.733 -4.398 1.630) 5.000 3.950 ( 3.610 -0.683 -1.256) 3.883 4.011 ( 1.983 -3.546 -0.391) 4.081 4.096 ( 0.612 4.761 1.425) 5.007 4.204 ( 1.585 -2.044 -1.048) 2.791 4.892 ( 1.647 0.570 1.786) 2.495 4.963 ( 2.571 -0.932 -0.583) 2.796 5.080 ( 1.253 1.492 0.223) 1.961 5.177 ( 2.388 -0.124 -1.239) 2.693 5.208 ( -1.334 0.395 -0.066) 1.393 5.263 ( 2.397 -2.221 -0.794) 3.363 5.360 ( -0.786 0.450 -0.530) 1.050 5.411 ( 0.255 -0.685 0.383) 0.825 6.420 ( -2.986 0.211 -3.043) 4.269 6.492 ( 1.491 0.912 -0.971) 1.999 6.554 ( -2.040 0.680 0.629) 2.241 6.574 ( 0.313 -0.672 0.669) 0.998 6.847 ( -1.296 0.662 0.028) 1.456 6.907 ( 0.028 -1.034 -0.614) 1.203 7.034 ( -0.960 3.215 3.265) 4.682 7.187 ( 0.622 -2.765 0.316) 2.851 ======================= Grid point 144 (65/78) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 4.073 -3.574 0.641) 5.457 0.873 ( 7.782 -0.726 -7.440) 10.791 0.998 ( 7.893 1.122 5.436) 9.649 1.030 ( 1.853 0.862 -0.358) 2.074 1.235 ( 2.518 0.548 1.372) 2.919 1.339 ( 0.283 1.071 0.329) 1.156 1.458 ( 0.909 -2.873 -2.151) 3.702 1.460 ( -0.821 2.894 2.969) 4.227 1.570 ( -2.670 1.165 3.352) 4.441 1.660 ( -1.844 1.769 3.456) 4.298 1.707 ( -0.294 0.388 -5.099) 5.122 1.796 ( -1.639 0.059 -3.134) 3.537 1.908 ( 5.754 -4.282 -2.598) 7.628 1.951 ( -2.873 -3.194 -5.412) 6.910 2.102 ( -1.080 -1.084 -0.551) 1.626 2.132 ( -3.994 -3.705 1.749) 5.722 2.206 ( -0.750 -0.524 1.190) 1.501 2.297 ( -1.185 -3.744 -0.239) 3.934 2.437 ( 1.169 -0.209 -3.891) 4.068 2.483 ( 2.008 1.555 0.197) 2.547 2.563 ( -1.182 3.764 -2.766) 4.818 2.627 ( -0.017 3.698 3.700) 5.231 2.729 ( -4.560 2.545 0.217) 5.227 2.810 ( -0.976 -3.700 3.917) 5.476 2.849 ( -0.810 2.405 2.326) 3.442 3.013 ( 4.333 0.431 0.208) 4.359 3.120 ( 1.283 0.091 -2.002) 2.379 3.250 ( 3.096 3.038 -1.077) 4.469 3.356 ( -2.239 4.936 -0.355) 5.432 3.544 ( 2.059 -1.184 0.191) 2.383 3.683 ( 2.850 -0.056 2.174) 3.585 3.730 ( 1.213 -2.030 2.645) 3.548 3.829 ( 2.145 -3.315 2.991) 4.953 3.896 ( 1.611 -4.185 1.657) 4.781 3.974 ( 1.812 -0.819 -4.232) 4.676 3.991 ( -1.382 4.766 0.161) 4.965 4.102 ( 2.070 -1.498 -0.185) 2.562 4.229 ( 0.294 -0.085 -1.625) 1.653 4.902 ( 1.596 0.946 1.196) 2.208 5.001 ( 2.013 -0.562 -0.403) 2.128 5.073 ( 1.259 1.382 0.841) 2.050 5.161 ( -0.127 1.698 -1.410) 2.211 5.213 ( 0.180 -1.456 -1.002) 1.777 5.302 ( -0.367 -1.162 -0.194) 1.234 5.348 ( 0.375 0.648 0.575) 0.944 5.429 ( 0.227 -0.954 0.357) 1.044 6.388 ( -1.038 -0.302 -2.508) 2.731 6.488 ( -2.267 2.190 0.976) 3.300 6.498 ( 1.198 0.821 -0.232) 1.471 6.617 ( 1.244 -1.330 1.046) 2.100 6.823 ( -0.989 0.681 -0.166) 1.212 6.922 ( -0.390 -1.162 -0.301) 1.262 6.991 ( 0.006 2.840 2.015) 3.483 7.223 ( -1.545 -2.628 -0.440) 3.080 ======================= Grid point 145 (66/78) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 3.546 -1.273 2.791) 4.689 0.921 ( 2.705 0.659 -5.725) 6.367 1.026 ( 3.984 1.785 1.031) 4.486 1.060 ( 4.544 2.689 6.391) 8.290 1.268 ( 3.112 0.293 0.188) 3.131 1.327 ( 0.993 1.134 0.595) 1.620 1.423 ( -0.352 1.495 -2.061) 2.570 1.502 ( 0.786 -1.197 2.203) 2.627 1.528 ( -2.639 0.807 3.442) 4.411 1.627 ( -2.077 1.032 -1.974) 3.046 1.683 ( -0.487 -0.463 -4.844) 4.891 1.739 ( -1.043 0.102 -0.186) 1.064 1.954 ( -3.283 -3.904 -5.480) 7.487 2.004 ( -1.194 -1.153 -0.373) 1.702 2.085 ( -1.537 -1.419 -1.588) 2.627 2.174 ( -1.210 -3.633 2.863) 4.781 2.258 ( 1.386 -3.638 1.435) 4.149 2.325 ( -4.366 -2.325 2.416) 5.505 2.404 ( -0.355 3.952 -7.389) 8.386 2.456 ( -6.042 3.853 -1.294) 7.281 2.510 ( 3.489 0.649 4.369) 5.629 2.564 ( 1.070 1.361 -1.642) 2.386 2.674 ( 2.120 1.145 1.379) 2.776 2.834 ( -0.051 0.015 1.414) 1.415 2.880 ( 0.854 -3.304 2.074) 3.993 3.057 ( 0.295 0.081 -1.982) 2.005 3.128 ( 2.544 0.871 2.310) 3.545 3.227 ( 2.581 3.411 -0.305) 4.289 3.279 ( 1.640 3.186 -0.232) 3.591 3.571 ( 0.757 0.142 -0.066) 0.773 3.702 ( 0.482 -0.447 0.823) 1.053 3.748 ( -0.169 1.491 2.642) 3.039 3.902 ( -1.664 2.545 -2.481) 3.924 3.918 ( 0.839 -1.585 2.743) 3.277 3.946 ( 2.743 1.787 1.494) 3.598 4.013 ( 0.462 -4.506 -4.430) 6.336 4.152 ( 1.761 -1.555 1.850) 2.990 4.193 ( -1.758 2.039 -0.958) 2.857 4.908 ( 1.716 1.114 0.841) 2.212 5.014 ( 0.558 0.491 -0.571) 0.937 5.070 ( 1.759 1.485 0.510) 2.357 5.140 ( 0.191 0.259 -0.821) 0.881 5.234 ( 0.749 -0.860 -1.323) 1.747 5.300 ( -1.467 -0.661 -0.571) 1.707 5.352 ( 1.065 0.469 1.089) 1.594 5.440 ( -0.295 -0.373 -0.279) 0.552 6.391 ( 0.450 -1.049 -0.321) 1.186 6.446 ( -0.803 0.859 0.687) 1.362 6.507 ( 1.877 0.815 0.585) 2.128 6.637 ( 0.007 -0.119 -0.151) 0.192 6.809 ( -0.278 0.091 0.117) 0.315 6.929 ( -0.863 -0.738 0.083) 1.138 6.964 ( 0.961 1.897 1.041) 2.368 7.230 ( -3.344 -2.099 -1.269) 4.147 ======================= Grid point 146 (67/78) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 1.384 2.940 2.166) 3.905 0.868 ( -2.500 3.313 -1.352) 4.365 1.014 ( 5.523 8.222 1.216) 9.979 1.119 ( 3.166 -2.486 5.798) 7.058 1.247 ( 0.398 5.104 -1.223) 5.263 1.347 ( 1.799 0.436 1.524) 2.398 1.401 ( 0.919 -0.114 -3.665) 3.780 1.505 ( -1.910 -0.292 1.792) 2.636 1.532 ( 0.375 -0.979 -1.598) 1.911 1.588 ( -0.124 -0.649 -1.394) 1.542 1.679 ( -0.456 -1.310 -3.563) 3.823 1.798 ( 1.395 -4.182 4.348) 6.192 1.883 ( -9.304 5.304 -1.101) 10.766 1.965 ( -3.059 -3.322 -3.150) 5.506 2.131 ( 1.479 -3.681 -1.885) 4.392 2.201 ( -0.728 1.488 1.902) 2.523 2.272 ( -2.624 -1.650 0.015) 3.100 2.286 ( -2.498 0.797 -4.111) 4.875 2.374 ( 0.830 -2.776 -0.203) 2.905 2.391 ( -3.084 -0.468 4.343) 5.347 2.544 ( 0.145 0.936 6.345) 6.416 2.586 ( 3.582 -1.784 -4.844) 6.283 2.727 ( 2.731 -2.819 0.300) 3.937 2.831 ( -0.383 0.756 1.304) 1.555 2.924 ( 0.594 0.980 0.340) 1.195 3.018 ( 1.230 1.596 -1.639) 2.598 3.097 ( -0.182 4.790 0.243) 4.799 3.227 ( 1.767 2.080 0.908) 2.876 3.324 ( 5.522 -2.750 1.060) 6.259 3.555 ( -0.663 1.683 -0.726) 1.949 3.699 ( -1.193 4.701 3.676) 6.086 3.729 ( -1.161 -2.744 -0.397) 3.006 3.815 ( -1.085 3.025 -5.728) 6.568 3.922 ( 0.900 2.189 0.131) 2.370 3.962 ( 0.696 1.006 0.536) 1.336 4.050 ( -3.283 -1.191 -0.579) 3.540 4.117 ( 2.502 1.557 -1.174) 3.172 4.224 ( -0.909 -2.027 3.670) 4.290 4.908 ( 1.608 1.572 0.527) 2.310 4.993 ( -1.199 1.581 -0.185) 1.993 5.075 ( 3.141 1.263 -0.113) 3.387 5.149 ( 0.978 -0.588 -0.710) 1.344 5.240 ( 0.298 0.097 -1.003) 1.051 5.292 ( -1.391 -0.336 -0.604) 1.553 5.361 ( 1.049 0.214 0.899) 1.398 5.431 ( -1.113 0.269 -0.912) 1.464 6.419 ( 0.928 -0.990 2.239) 2.618 6.452 ( 0.756 -1.247 -0.578) 1.568 6.521 ( 2.203 0.324 1.168) 2.515 6.620 ( -1.247 0.920 -1.319) 2.035 6.818 ( 1.029 -0.655 0.526) 1.329 6.925 ( -1.481 -0.223 0.207) 1.512 6.965 ( 2.377 0.606 0.842) 2.594 7.205 ( -4.911 -1.267 -2.090) 5.485 ======================= Grid point 147 (68/78) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.679 3.820 3.338) 5.118 0.785 ( -2.614 2.701 -2.310) 4.411 0.945 ( 6.631 9.763 1.785) 11.936 1.102 ( -5.523 7.374 -2.530) 9.554 1.217 ( 3.686 0.496 7.945) 8.772 1.323 ( -1.187 1.768 -4.134) 4.651 1.433 ( 2.704 -2.278 -0.190) 3.541 1.500 ( -2.416 -2.011 -1.262) 3.387 1.545 ( 2.171 0.955 -1.899) 3.038 1.627 ( 1.791 -2.233 1.596) 3.278 1.667 ( -5.777 0.724 -1.522) 6.018 1.690 ( -4.782 2.500 -0.253) 5.402 1.914 ( 2.394 -4.403 3.572) 6.154 1.982 ( -2.100 -3.394 -1.472) 4.254 2.168 ( 1.173 2.488 -0.590) 2.813 2.182 ( 0.514 -0.825 -1.617) 1.886 2.248 ( 1.776 -0.361 -4.303) 4.669 2.286 ( -4.755 -2.313 4.828) 7.161 2.406 ( -0.182 -0.970 3.977) 4.097 2.420 ( 0.650 -2.416 -2.069) 3.246 2.571 ( 1.794 -1.656 1.797) 3.032 2.617 ( -0.220 -1.154 -2.856) 3.088 2.779 ( 0.885 -1.263 -1.203) 1.956 2.828 ( -2.446 -1.750 -0.822) 3.118 2.894 ( 2.552 2.279 4.887) 5.966 3.014 ( -3.890 1.393 -3.236) 5.248 3.049 ( 7.537 3.801 3.101) 8.993 3.193 ( -3.098 1.971 -0.393) 3.693 3.399 ( 2.758 0.058 -0.668) 2.839 3.482 ( -4.230 3.575 -2.654) 6.142 3.663 ( 4.439 1.528 4.626) 6.591 3.747 ( 0.187 -0.424 -2.625) 2.665 3.780 ( -0.730 -0.145 0.481) 0.886 3.852 ( -4.670 2.674 -3.549) 6.446 3.952 ( 2.203 1.788 1.027) 3.017 4.012 ( -2.525 1.281 0.689) 2.914 4.151 ( 4.601 0.564 -2.207) 5.134 4.222 ( -3.361 0.687 3.783) 5.107 4.901 ( 1.458 1.697 0.410) 2.275 4.945 ( -2.044 1.951 -0.649) 2.899 5.095 ( 3.732 1.479 0.546) 4.051 5.158 ( -0.218 0.138 -1.896) 1.913 5.237 ( 0.700 0.356 -1.232) 1.460 5.265 ( -2.732 1.049 1.347) 3.222 5.375 ( 1.093 -0.158 0.641) 1.277 5.407 ( -1.442 0.331 -0.619) 1.604 6.457 ( 1.591 -1.295 0.964) 2.267 6.473 ( 0.021 -0.655 0.705) 0.963 6.555 ( 1.261 -1.308 1.039) 2.093 6.585 ( -1.191 0.659 -1.427) 1.972 6.850 ( 2.231 -0.722 0.465) 2.390 6.906 ( -2.126 0.104 0.187) 2.137 7.006 ( 4.506 -0.480 1.485) 4.769 7.149 ( -5.930 -0.375 -2.829) 6.581 ======================= Grid point 148 (69/78) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 1.391 1.895 -10.022) 10.294 0.715 ( -1.391 1.895 10.022) 10.294 0.879 ( -1.688 9.681 -8.665) 13.102 0.879 ( 1.688 9.681 8.665) 13.102 1.267 ( -1.762 0.116 -8.230) 8.418 1.267 ( 1.762 0.116 8.230) 8.418 1.501 ( 1.962 0.121 -5.286) 5.640 1.501 ( -1.962 0.121 5.286) 5.640 1.536 ( -3.596 2.463 -7.637) 8.793 1.536 ( 3.596 2.463 7.637) 8.793 1.696 ( -0.566 -3.765 -0.731) 3.877 1.696 ( 0.566 -3.765 0.731) 3.877 2.000 ( -0.375 -2.129 -2.757) 3.503 2.000 ( 0.375 -2.129 2.757) 3.503 2.160 ( -0.353 0.620 -1.613) 1.764 2.160 ( 0.353 0.620 1.613) 1.764 2.282 ( 2.974 -0.839 -3.536) 4.696 2.282 ( -2.974 -0.839 3.536) 4.696 2.435 ( -0.471 -0.693 -3.338) 3.441 2.435 ( 0.471 -0.693 3.338) 3.441 2.614 ( -0.311 -0.578 -1.939) 2.047 2.614 ( 0.311 -0.578 1.939) 2.047 2.821 ( 0.455 -2.309 -4.184) 4.801 2.821 ( -0.455 -2.309 4.184) 4.801 2.938 ( -3.449 0.871 -4.089) 5.420 2.938 ( 3.449 0.871 4.089) 5.420 3.083 ( -6.293 3.614 -3.490) 8.052 3.083 ( 6.293 3.614 3.490) 8.052 3.411 ( -0.133 -0.173 -0.691) 0.725 3.411 ( 0.133 -0.173 0.691) 0.725 3.717 ( -4.139 1.759 -2.050) 4.943 3.717 ( 4.139 1.759 2.050) 4.943 3.778 ( -1.927 0.527 -2.390) 3.115 3.778 ( 1.927 0.527 2.390) 3.115 3.964 ( -1.503 0.491 -3.742) 4.062 3.964 ( 1.503 0.491 3.742) 4.062 4.161 ( 1.291 3.347 -2.854) 4.584 4.161 ( -1.291 3.347 2.854) 4.584 4.897 ( -1.585 1.104 -0.649) 2.038 4.897 ( 1.585 1.104 0.649) 2.038 5.110 ( -1.332 2.092 -3.142) 4.002 5.110 ( 1.332 2.092 3.142) 4.002 5.235 ( 1.347 0.571 -2.781) 3.143 5.235 ( -1.347 0.571 2.781) 3.143 5.391 ( -0.501 -0.149 -0.906) 1.046 5.391 ( 0.501 -0.149 0.906) 1.046 6.481 ( 0.263 -0.291 -1.781) 1.824 6.481 ( -0.263 -0.291 1.781) 1.824 6.586 ( 0.707 -1.671 -1.338) 2.255 6.586 ( -0.707 -1.671 1.338) 2.255 6.883 ( -1.632 -0.219 -0.176) 1.656 6.883 ( 1.632 -0.219 0.176) 1.656 7.076 ( -3.991 0.024 -3.937) 5.606 7.076 ( 3.991 0.024 3.937) 5.606 ======================= Grid point 152 (70/78) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 3.264 0.000 -1.770) 3.714 0.824 ( 6.220 0.000 -3.852) 7.316 1.006 ( 7.340 0.000 3.475) 8.121 1.122 ( 9.227 0.000 5.543) 10.764 1.280 ( -1.004 -0.000 -1.439) 1.754 1.345 ( 5.488 0.000 -2.178) 5.905 1.440 ( 0.965 0.000 -1.024) 1.407 1.485 ( 12.180 0.000 0.192) 12.181 1.557 ( -1.451 -0.000 -1.092) 1.816 1.651 ( -4.772 -0.000 4.909) 6.846 1.725 ( -0.703 -0.000 -6.178) 6.217 1.750 ( -3.282 -0.000 2.309) 4.013 1.867 ( -2.465 -0.000 -6.812) 7.244 1.901 ( -3.128 -0.000 -2.171) 3.808 2.053 ( -5.244 -0.000 2.342) 5.743 2.099 ( -0.244 -0.000 -0.945) 0.976 2.207 ( -1.838 -0.000 -0.457) 1.894 2.230 ( 0.589 0.000 -3.137) 3.192 2.467 ( 1.259 0.000 -6.512) 6.633 2.471 ( -2.141 -0.000 0.496) 2.198 2.626 ( -1.582 -0.000 0.350) 1.620 2.693 ( 1.017 0.000 6.747) 6.823 2.725 ( 0.387 0.000 6.290) 6.302 2.761 ( -2.462 -0.000 1.730) 3.009 2.905 ( 4.764 0.000 3.512) 5.918 3.066 ( -4.275 -0.000 -7.142) 8.324 3.152 ( 2.785 0.000 2.070) 3.471 3.265 ( 3.347 0.000 -1.266) 3.578 3.464 ( -2.194 -0.000 1.929) 2.921 3.506 ( -0.566 -0.000 -1.644) 1.738 3.664 ( 2.812 0.000 -5.480) 6.159 3.678 ( 4.025 0.000 3.525) 5.351 3.798 ( 1.430 0.000 7.655) 7.787 3.804 ( 2.837 0.000 -0.618) 2.904 3.975 ( 2.894 0.000 -2.737) 3.983 4.031 ( 6.171 0.000 0.878) 6.233 4.140 ( -3.705 -0.000 2.167) 4.293 4.192 ( 2.917 0.000 -2.452) 3.811 4.933 ( 2.183 0.000 3.772) 4.358 4.976 ( 2.556 0.000 -1.637) 3.035 5.101 ( 0.484 0.000 -0.248) 0.543 5.178 ( -0.333 -0.000 -1.124) 1.172 5.228 ( 1.032 0.000 -4.370) 4.490 5.253 ( 1.045 0.000 2.079) 2.327 5.362 ( 0.787 0.000 0.038) 0.788 5.406 ( -0.067 -0.000 0.306) 0.313 6.384 ( -1.614 -0.000 -2.789) 3.223 6.519 ( 2.252 0.000 -0.609) 2.333 6.537 ( -3.487 -0.000 0.565) 3.532 6.583 ( 2.298 0.000 1.643) 2.825 6.841 ( -1.125 -0.000 0.419) 1.201 6.888 ( -1.086 -0.000 -0.544) 1.215 7.057 ( -2.703 -0.000 5.672) 6.283 7.160 ( 0.244 0.000 -3.507) 3.515 ======================= Grid point 153 (71/78) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 6.374 -1.723 4.910) 8.229 0.899 ( 6.288 -1.658 -4.004) 7.637 1.079 ( 5.868 1.626 0.716) 6.131 1.167 ( 3.362 3.341 2.990) 5.605 1.261 ( -0.625 -0.656 2.361) 2.529 1.415 ( 6.105 0.941 1.778) 6.428 1.423 ( 3.371 2.370 -3.122) 5.169 1.509 ( -0.792 2.110 0.241) 2.267 1.577 ( -1.033 1.095 3.477) 3.789 1.651 ( -3.157 0.070 5.671) 6.491 1.686 ( 0.053 0.565 -9.627) 9.644 1.759 ( -1.550 -1.620 -1.213) 2.549 1.840 ( -2.930 -2.545 -3.668) 5.340 1.882 ( 1.855 -3.943 -4.700) 6.409 2.036 ( -3.096 -3.140 0.693) 4.464 2.096 ( -0.225 0.449 -0.784) 0.931 2.175 ( -2.932 -0.564 -0.751) 3.079 2.260 ( 2.824 -2.021 -1.114) 3.647 2.424 ( -0.335 0.840 -4.630) 4.717 2.477 ( -1.312 -1.340 -2.714) 3.299 2.604 ( 0.244 2.256 0.561) 2.338 2.702 ( 0.757 2.757 4.457) 5.296 2.730 ( -1.968 1.623 1.678) 3.053 2.765 ( -1.721 -2.378 6.679) 7.296 2.901 ( -3.240 5.047 -0.200) 6.001 3.014 ( -0.127 -2.178 -1.227) 2.503 3.163 ( 3.131 1.720 1.960) 4.074 3.311 ( 3.753 -0.307 -1.653) 4.112 3.407 ( -1.029 4.085 -0.111) 4.214 3.510 ( -1.747 -2.515 -1.962) 3.637 3.711 ( 3.350 -2.181 -2.578) 4.757 3.735 ( 2.291 -1.108 5.156) 5.750 3.819 ( 0.855 -0.976 0.739) 1.493 3.896 ( 5.897 -2.188 5.818) 8.568 3.981 ( 2.832 2.309 -2.526) 4.442 4.070 ( -2.293 3.989 2.178) 5.090 4.096 ( 2.427 -0.931 -2.099) 3.341 4.223 ( 1.296 -0.997 -2.001) 2.584 4.950 ( 2.034 1.616 2.538) 3.632 5.009 ( 1.801 -0.893 -0.738) 2.141 5.099 ( 0.624 0.511 -0.053) 0.808 5.174 ( -1.606 -0.210 0.448) 1.681 5.204 ( 1.893 1.042 -4.113) 4.646 5.271 ( -1.538 -1.322 -0.113) 2.031 5.371 ( 1.369 0.794 0.745) 1.749 5.416 ( 0.092 -1.014 0.137) 1.028 6.370 ( 0.033 -0.308 -1.733) 1.761 6.490 ( -3.128 1.321 1.127) 3.577 6.537 ( 2.720 0.951 0.169) 2.887 6.620 ( 1.688 -0.707 0.972) 2.072 6.824 ( -0.817 0.720 0.226) 1.112 6.888 ( -1.478 -1.669 -0.142) 2.234 7.032 ( -1.314 1.869 3.957) 4.569 7.158 ( -1.746 -1.884 -3.493) 4.335 ======================= Grid point 154 (72/78) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 5.274 -0.946 5.354) 7.575 0.950 ( 2.456 1.217 -2.003) 3.395 1.084 ( 3.096 1.307 -0.153) 3.364 1.184 ( 2.606 1.975 5.849) 6.701 1.286 ( 0.977 -1.914 -1.798) 2.802 1.414 ( 4.001 2.673 -0.366) 4.825 1.426 ( 0.969 3.208 -1.272) 3.584 1.524 ( 4.168 0.139 4.314) 6.000 1.562 ( 1.059 2.444 3.370) 4.295 1.605 ( -4.493 0.851 2.391) 5.161 1.649 ( 0.336 0.665 -7.705) 7.741 1.717 ( -1.984 -0.390 -3.214) 3.797 1.822 ( -4.713 -3.907 -5.421) 8.177 1.963 ( -1.264 -1.904 -0.683) 2.386 2.063 ( -0.334 0.674 -0.986) 1.240 2.092 ( -0.730 -5.447 1.084) 5.601 2.188 ( -2.778 -4.647 0.671) 5.456 2.289 ( -2.623 0.033 -0.821) 2.748 2.401 ( 1.082 1.327 -8.580) 8.749 2.438 ( -4.715 2.413 2.352) 5.796 2.584 ( 2.023 2.374 3.944) 5.028 2.615 ( 0.278 4.683 -3.059) 5.601 2.717 ( 0.736 1.050 3.501) 3.728 2.822 ( -1.912 -2.413 2.428) 3.921 2.853 ( 2.649 -2.788 0.860) 3.941 3.025 ( -2.371 -0.856 -0.982) 2.705 3.208 ( 5.547 0.476 4.088) 6.907 3.315 ( 2.567 4.127 -1.013) 4.965 3.347 ( 1.468 3.149 -0.913) 3.592 3.521 ( -3.650 -3.443 -1.684) 5.292 3.739 ( 2.475 2.624 2.053) 4.150 3.797 ( 2.383 -1.051 2.852) 3.862 3.876 ( 0.064 -4.914 0.834) 4.985 3.929 ( -2.194 3.354 -2.106) 4.528 3.966 ( 3.581 1.809 -0.433) 4.035 4.032 ( 2.131 2.673 1.499) 3.733 4.126 ( 1.044 -2.936 0.148) 3.119 4.212 ( -1.110 2.112 -1.852) 3.020 4.956 ( 2.184 1.505 1.642) 3.119 5.023 ( 0.217 0.233 -0.442) 0.544 5.107 ( 1.713 0.114 -0.188) 1.727 5.151 ( -0.381 1.057 0.781) 1.368 5.219 ( 1.476 -1.295 -3.506) 4.018 5.268 ( -1.858 -1.055 0.142) 2.141 5.375 ( 1.054 0.669 0.734) 1.448 5.427 ( -0.500 -0.509 -0.484) 0.862 6.383 ( 1.262 -0.960 -0.296) 1.613 6.450 ( -1.616 0.740 0.911) 1.997 6.551 ( 2.719 1.297 0.726) 3.099 6.637 ( 0.017 0.121 -0.065) 0.138 6.813 ( 0.257 0.256 0.371) 0.519 6.896 ( -1.855 -1.650 0.044) 2.483 7.009 ( 0.495 1.815 2.395) 3.046 7.148 ( -3.590 -1.904 -2.994) 5.047 ======================= Grid point 155 (73/78) ======================= q-point: (-0.38 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 3.045 2.326 0.978) 3.954 0.900 ( -2.505 3.730 1.101) 4.626 1.138 ( 3.855 -1.283 1.013) 4.187 1.167 ( 0.992 4.313 3.664) 5.745 1.321 ( 1.338 0.489 1.575) 2.124 1.362 ( -0.119 2.125 -7.230) 7.537 1.426 ( 2.464 1.619 3.195) 4.347 1.501 ( -2.158 3.445 -3.894) 5.629 1.559 ( 1.887 0.722 4.487) 4.921 1.607 ( 3.190 0.983 2.757) 4.329 1.641 ( 2.597 -0.205 -3.787) 4.596 1.752 ( 0.644 -4.703 2.162) 5.216 1.823 ( -4.208 -3.474 -5.318) 7.620 1.872 ( -8.955 2.952 -1.338) 9.524 2.095 ( 2.384 -2.534 -0.706) 3.551 2.159 ( -3.049 -3.066 2.044) 4.783 2.211 ( -1.888 -2.904 -1.047) 3.619 2.252 ( -2.332 -2.860 -2.093) 4.243 2.353 ( -0.328 1.146 1.300) 1.764 2.379 ( -1.425 1.155 -1.220) 2.203 2.584 ( -0.209 1.455 5.564) 5.755 2.593 ( 2.606 0.688 -4.463) 5.214 2.740 ( 2.996 -0.344 1.706) 3.464 2.820 ( -2.688 -0.672 0.208) 2.778 2.949 ( 2.888 -1.547 0.335) 3.293 2.995 ( -2.143 0.064 -1.120) 2.419 3.227 ( 3.445 5.711 2.830) 7.245 3.288 ( 0.798 3.687 -1.937) 4.241 3.357 ( 6.360 -2.070 1.268) 6.808 3.515 ( -5.859 -2.687 -0.494) 6.464 3.720 ( 1.180 2.816 2.352) 3.854 3.778 ( -1.482 5.294 -0.833) 5.560 3.869 ( 3.463 2.778 -0.649) 4.487 3.960 ( -1.093 -2.460 -4.091) 4.898 3.963 ( 0.809 -0.324 3.601) 3.705 3.998 ( -0.925 2.373 -0.722) 2.648 4.157 ( 1.007 1.624 -2.064) 2.813 4.181 ( -1.492 -2.572 2.667) 3.994 4.960 ( 2.134 1.795 0.918) 2.936 5.003 ( -1.319 1.431 -0.200) 1.956 5.129 ( 2.821 0.358 0.037) 2.844 5.150 ( 0.388 -0.288 0.677) 0.832 5.236 ( 0.910 -0.588 -2.095) 2.358 5.265 ( -1.693 -0.809 -0.153) 1.882 5.381 ( 1.165 0.445 0.612) 1.390 5.416 ( -1.432 0.155 -0.872) 1.684 6.419 ( 1.214 -1.360 1.274) 2.224 6.441 ( -0.219 -0.634 -0.407) 0.784 6.562 ( 2.372 1.256 1.060) 2.886 6.615 ( -1.633 1.087 -1.008) 2.206 6.831 ( 2.267 -0.590 0.644) 2.429 6.894 ( -2.521 -1.065 -0.037) 2.737 7.012 ( 2.735 0.843 1.962) 3.470 7.116 ( -4.962 -1.314 -2.737) 5.817 ======================= Grid point 156 (74/78) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 1.579 4.103 -5.200) 6.810 0.813 ( -1.579 4.103 5.200) 6.810 1.129 ( -3.187 4.530 -2.194) 5.957 1.129 ( 3.187 4.530 2.194) 5.957 1.316 ( -2.493 2.352 -4.882) 5.965 1.316 ( 2.493 2.352 4.882) 5.965 1.439 ( -1.238 -0.239 -4.585) 4.755 1.439 ( 1.238 -0.239 4.585) 4.755 1.600 ( -3.127 -0.040 -2.378) 3.929 1.600 ( 3.127 -0.040 2.378) 3.929 1.671 ( -3.079 2.741 -3.217) 5.229 1.671 ( 3.079 2.741 3.217) 5.229 1.874 ( -1.343 -5.629 -5.297) 7.845 1.874 ( 1.343 -5.629 5.297) 7.845 2.165 ( 2.255 -2.664 -1.534) 3.812 2.165 ( -2.255 -2.664 1.534) 3.812 2.250 ( 1.602 -0.044 -6.130) 6.336 2.250 ( -1.602 -0.044 6.130) 6.336 2.376 ( 1.117 -2.721 -4.695) 5.541 2.376 ( -1.117 -2.721 4.695) 5.541 2.586 ( 1.133 0.010 -6.972) 7.064 2.586 ( -1.133 0.010 6.972) 7.064 2.788 ( -3.122 -0.232 -0.770) 3.224 2.788 ( 3.122 -0.232 0.770) 3.224 2.969 ( -2.415 0.762 -4.108) 4.826 2.969 ( 2.415 0.762 4.108) 4.826 3.198 ( -3.533 4.468 -3.092) 6.482 3.198 ( 3.533 4.468 3.092) 6.482 3.462 ( -5.065 0.520 -1.276) 5.249 3.462 ( 5.065 0.520 1.276) 5.249 3.707 ( 0.339 0.260 -0.603) 0.739 3.707 ( -0.339 0.260 0.603) 0.739 3.856 ( -4.326 5.077 -2.852) 7.255 3.856 ( 4.326 5.077 2.852) 7.255 3.995 ( 1.278 -0.430 -1.926) 2.351 3.995 ( -1.278 -0.430 1.926) 2.351 4.185 ( 3.540 -1.104 -3.640) 5.197 4.185 ( -3.540 -1.104 3.640) 5.197 4.954 ( -0.722 2.205 -1.781) 2.924 4.954 ( 0.722 2.205 1.781) 2.924 5.150 ( 0.275 0.427 -3.764) 3.798 5.150 ( -0.275 0.427 3.764) 3.798 5.250 ( 1.600 0.049 -4.865) 5.121 5.250 ( -1.600 0.049 4.865) 5.121 5.392 ( -1.229 0.259 -0.849) 1.516 5.392 ( 1.229 0.259 0.849) 1.516 6.453 ( -0.433 -1.353 -1.278) 1.911 6.453 ( 0.433 -1.353 1.278) 1.911 6.573 ( -1.920 0.837 -1.208) 2.418 6.573 ( 1.920 0.837 1.208) 2.418 6.874 ( -2.922 -0.545 -0.387) 2.997 6.874 ( 2.922 -0.545 0.387) 2.997 7.063 ( -3.747 -0.594 -4.053) 5.551 7.063 ( 3.747 -0.594 4.053) 5.551 ======================= Grid point 162 (75/78) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 7.835 0.000 9.284) 12.148 0.948 ( 7.026 0.000 -3.850) 8.011 1.173 ( 7.246 0.000 0.596) 7.271 1.194 ( -2.615 -0.000 -1.581) 3.056 1.213 ( -5.275 -0.000 3.975) 6.605 1.442 ( 1.556 0.000 -5.026) 5.261 1.494 ( 1.538 0.000 4.304) 4.570 1.515 ( 0.028 0.000 -2.130) 2.130 1.590 ( -2.934 -0.000 8.944) 9.413 1.646 ( -0.792 -0.000 -8.468) 8.505 1.706 ( -3.646 -0.000 -0.053) 3.646 1.737 ( 3.340 0.000 1.487) 3.656 1.813 ( 4.110 0.000 -1.367) 4.331 1.824 ( 1.962 0.000 -4.861) 5.242 1.987 ( -1.278 -0.000 0.026) 1.278 2.083 ( -2.127 -0.000 -0.725) 2.247 2.139 ( -2.610 -0.000 -1.500) 3.011 2.272 ( 1.840 0.000 -3.975) 4.381 2.429 ( 4.578 0.000 -7.124) 8.468 2.453 ( 0.153 0.000 3.195) 3.199 2.628 ( 0.990 0.000 -0.178) 1.006 2.727 ( -2.368 -0.000 5.052) 5.579 2.743 ( 0.853 0.000 0.345) 0.920 2.751 ( -2.690 -0.000 6.108) 6.674 2.876 ( -6.121 -0.000 -4.891) 7.835 2.978 ( -4.483 -0.000 2.776) 5.272 3.221 ( 3.485 0.000 3.514) 4.949 3.324 ( 2.486 0.000 -2.454) 3.493 3.437 ( -0.638 -0.000 0.292) 0.702 3.463 ( -0.940 -0.000 -2.179) 2.373 3.716 ( 4.442 0.000 -4.598) 6.393 3.751 ( -0.164 -0.000 5.322) 5.324 3.840 ( 2.272 0.000 -2.213) 3.172 3.964 ( 5.790 0.000 8.943) 10.654 4.037 ( -5.056 -0.000 1.397) 5.245 4.057 ( 4.493 0.000 -0.661) 4.541 4.137 ( 2.623 0.000 -1.143) 2.861 4.215 ( 0.775 0.000 -3.404) 3.491 4.995 ( 0.743 0.000 4.030) 4.098 5.013 ( 1.833 0.000 -2.452) 3.061 5.109 ( 0.850 0.000 -0.926) 1.257 5.152 ( -1.271 -0.000 0.292) 1.305 5.216 ( 0.212 0.000 -2.351) 2.361 5.239 ( -1.607 -0.000 -0.375) 1.650 5.398 ( 1.213 0.000 0.077) 1.215 5.405 ( -0.088 -0.000 0.280) 0.293 6.369 ( 1.180 0.000 -1.045) 1.576 6.467 ( -3.379 -0.000 1.183) 3.581 6.577 ( 2.801 0.000 0.757) 2.902 6.637 ( 1.409 0.000 0.364) 1.455 6.824 ( -0.661 -0.000 0.545) 0.856 6.853 ( -1.553 -0.000 -0.178) 1.563 7.045 ( -1.753 -0.000 5.396) 5.674 7.114 ( -0.907 -0.000 -5.867) 5.937 ======================= Grid point 163 (76/78) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 6.386 1.043 7.864) 10.184 0.992 ( 1.994 1.652 -2.797) 3.812 1.119 ( 0.877 1.148 -3.094) 3.414 1.196 ( -5.115 -1.666 3.210) 6.265 1.272 ( 5.805 -1.850 1.612) 6.302 1.408 ( -3.590 -0.434 -3.641) 5.131 1.502 ( 1.858 2.198 1.161) 3.103 1.551 ( 2.652 -0.848 4.031) 4.899 1.587 ( -3.369 1.323 -1.037) 3.765 1.619 ( 2.648 -1.443 -2.377) 3.840 1.647 ( -4.917 0.807 0.411) 4.999 1.710 ( -3.115 -0.092 -3.328) 4.560 1.793 ( 8.311 5.375 0.190) 9.899 1.926 ( -0.501 -1.083 -0.368) 1.249 2.014 ( 1.067 -4.387 -0.298) 4.525 2.070 ( -2.152 -2.073 -0.721) 3.074 2.112 ( 0.128 0.273 1.319) 1.353 2.232 ( -5.256 0.194 -5.336) 7.492 2.446 ( 4.331 3.441 -4.957) 7.427 2.467 ( 0.187 3.122 4.019) 5.092 2.638 ( 1.454 1.107 2.678) 3.243 2.676 ( -0.535 4.710 -3.400) 5.834 2.742 ( -1.151 0.554 4.679) 4.850 2.761 ( -1.830 -3.125 0.489) 3.654 2.833 ( 2.042 -2.930 -0.446) 3.600 2.951 ( -6.337 -3.883 0.202) 7.435 3.276 ( 3.953 -0.246 3.888) 5.550 3.346 ( 0.076 -1.239 -2.669) 2.944 3.411 ( 0.970 2.981 0.577) 3.188 3.447 ( -1.825 0.122 -1.768) 2.544 3.776 ( 2.949 -3.691 -2.584) 5.385 3.786 ( -0.150 -2.944 3.969) 4.944 3.845 ( 2.929 2.177 -0.844) 3.746 3.943 ( -4.942 3.111 -0.001) 5.840 4.072 ( 4.433 2.963 1.379) 5.507 4.079 ( 1.745 -0.285 5.658) 5.928 4.127 ( 2.030 1.643 -2.250) 3.447 4.206 ( -1.793 0.184 -3.319) 3.777 5.001 ( 1.164 1.005 1.598) 2.218 5.023 ( -0.022 -0.064 -0.767) 0.770 5.118 ( 1.662 -0.265 -1.438) 2.214 5.147 ( -1.828 -0.496 1.816) 2.624 5.212 ( 1.332 -0.352 -2.621) 2.962 5.233 ( -1.628 -1.074 0.504) 2.014 5.397 ( 0.726 0.601 0.390) 1.020 5.413 ( -0.377 -0.351 -0.416) 0.663 6.388 ( 1.999 -0.517 -0.530) 2.132 6.435 ( -2.647 0.032 0.931) 2.806 6.602 ( 2.512 0.938 0.939) 2.841 6.641 ( -0.286 0.502 -0.357) 0.679 6.821 ( 0.470 0.011 0.455) 0.654 6.850 ( -1.734 -1.341 -0.139) 2.197 7.042 ( -0.223 0.775 4.340) 4.414 7.088 ( -1.440 -0.455 -4.907) 5.134 ======================= Grid point 164 (77/78) ======================= q-point: ( 0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -1.121 2.981 -4.633) 5.622 0.919 ( 1.121 2.981 4.633) 5.622 1.169 ( -1.526 -1.111 -0.648) 1.996 1.169 ( 1.526 -1.111 0.648) 1.996 1.354 ( -3.083 0.288 -4.832) 5.739 1.354 ( 3.083 0.288 4.832) 5.739 1.501 ( -2.006 2.740 -4.486) 5.627 1.501 ( 2.006 2.740 4.486) 5.627 1.595 ( 2.498 0.221 -2.942) 3.865 1.595 ( -2.498 0.221 2.942) 3.865 1.697 ( -1.592 -4.085 -0.854) 4.467 1.697 ( 1.592 -4.085 0.854) 4.467 1.824 ( -5.728 4.664 -5.448) 9.178 1.824 ( 5.728 4.664 5.448) 9.178 2.094 ( -0.396 -2.746 -1.127) 2.995 2.094 ( 0.396 -2.746 1.127) 2.995 2.159 ( -3.218 -2.250 -3.252) 5.098 2.159 ( 3.218 -2.250 3.252) 5.098 2.399 ( 3.158 3.745 -8.359) 9.689 2.399 ( -3.158 3.745 8.359) 9.689 2.623 ( 1.565 2.170 -5.424) 6.048 2.623 ( -1.565 2.170 5.424) 6.048 2.766 ( -1.025 -1.332 -4.159) 4.486 2.766 ( 1.025 -1.332 4.159) 4.486 2.948 ( -3.693 -3.138 -0.341) 4.858 2.948 ( 3.693 -3.138 0.341) 4.858 3.326 ( -1.520 1.740 -3.526) 4.215 3.326 ( 1.520 1.740 3.526) 4.215 3.404 ( -4.825 -0.428 -1.313) 5.019 3.404 ( 4.825 -0.428 1.313) 5.019 3.822 ( -0.942 4.383 -5.045) 6.749 3.822 ( 0.942 4.383 5.045) 6.749 3.866 ( 0.759 -4.682 -4.202) 6.337 3.866 ( -0.759 -4.682 4.202) 6.337 4.043 ( -2.063 4.528 -0.475) 4.999 4.043 ( 2.063 4.528 0.475) 4.999 4.161 ( -1.076 -0.144 -3.205) 3.384 4.161 ( 1.076 -0.144 3.205) 3.384 5.005 ( 0.375 1.005 -3.007) 3.192 5.005 ( -0.375 1.005 3.007) 3.192 5.141 ( 1.921 -0.682 -2.308) 3.080 5.141 ( -1.921 -0.682 2.308) 3.080 5.234 ( 1.636 -0.946 -3.786) 4.231 5.234 ( -1.636 -0.946 3.786) 4.231 5.402 ( -0.982 0.310 -0.787) 1.296 5.402 ( 0.982 0.310 0.787) 1.296 6.419 ( -0.000 -0.760 -1.569) 1.744 6.419 ( 0.000 -0.760 1.569) 1.744 6.611 ( -1.953 1.303 -0.829) 2.490 6.611 ( 1.953 1.303 0.829) 2.490 6.846 ( -1.750 -1.079 -0.835) 2.219 6.846 ( 1.750 -1.079 0.835) 2.219 7.057 ( -0.866 0.171 -5.049) 5.125 7.057 ( 0.866 0.171 5.049) 5.125 ======================= Grid point 173 (78/78) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -3.710 -0.000 -8.074) 8.885 0.988 ( 3.710 0.000 8.074) 8.885 1.129 ( 3.496 0.000 -4.777) 5.920 1.129 ( -3.496 -0.000 4.777) 5.920 1.333 ( -5.852 -0.000 -2.821) 6.496 1.333 ( 5.852 0.000 2.821) 6.496 1.557 ( -4.778 -0.000 1.423) 4.985 1.557 ( 4.778 0.000 -1.423) 4.985 1.584 ( -0.293 -0.000 -7.027) 7.033 1.584 ( 0.293 0.000 7.027) 7.033 1.658 ( -2.232 -0.000 -5.624) 6.051 1.658 ( 2.232 0.000 5.624) 6.051 1.915 ( 1.693 0.000 -0.921) 1.928 1.915 ( -1.693 -0.000 0.921) 1.928 1.998 ( -4.175 -0.000 0.140) 4.177 1.998 ( 4.175 0.000 -0.140) 4.177 2.161 ( -4.448 -0.000 -4.512) 6.336 2.161 ( 4.448 0.000 4.512) 6.336 2.511 ( 0.490 0.000 -8.362) 8.376 2.511 ( -0.490 -0.000 8.362) 8.376 2.709 ( -1.886 -0.000 -3.313) 3.812 2.709 ( 1.886 0.000 3.313) 3.812 2.721 ( -3.763 -0.000 0.116) 3.765 2.721 ( 3.763 0.000 -0.116) 3.765 2.823 ( -3.331 -0.000 -0.154) 3.335 2.823 ( 3.331 0.000 0.154) 3.335 3.315 ( -1.613 -0.000 -3.361) 3.728 3.315 ( 1.613 0.000 3.361) 3.728 3.442 ( -0.380 -0.000 -0.863) 0.943 3.442 ( 0.380 0.000 0.863) 0.943 3.760 ( 2.352 0.000 -5.000) 5.526 3.760 ( -2.352 -0.000 5.000) 5.526 3.910 ( -5.441 -0.000 1.512) 5.647 3.910 ( 5.441 0.000 -1.512) 5.647 4.116 ( 0.434 0.000 -3.531) 3.557 4.116 ( -0.434 -0.000 3.531) 3.557 4.167 ( -2.451 -0.000 -1.668) 2.964 4.167 ( 2.451 0.000 1.668) 2.964 5.019 ( 0.704 0.000 -3.233) 3.309 5.019 ( -0.704 -0.000 3.233) 3.309 5.129 ( 1.664 0.000 -1.683) 2.367 5.129 ( -1.664 -0.000 1.683) 2.367 5.213 ( -0.403 -0.000 -0.137) 0.426 5.213 ( 0.403 0.000 0.137) 0.426 5.407 ( 0.071 0.000 -0.460) 0.465 5.407 ( -0.071 -0.000 0.460) 0.465 6.407 ( -2.671 -0.000 0.804) 2.790 6.407 ( 2.671 0.000 -0.804) 2.790 6.634 ( -1.409 -0.000 -0.998) 1.727 6.634 ( 1.409 0.000 0.998) 1.727 6.827 ( -0.587 -0.000 -0.499) 0.771 6.827 ( 0.587 0.000 0.499) 0.771 7.062 ( 0.204 0.000 -5.892) 5.895 7.062 ( -0.204 -0.000 5.892) 5.895 =================== 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 3/13824 10.0 27.802 21.295 27.565 0.000 0.653 0.000 3/13824 20.0 7.030 4.842 8.182 0.000 0.459 0.000 3/13824 30.0 3.517 2.390 4.155 0.000 0.262 0.000 3/13824 40.0 2.307 1.566 2.729 0.000 0.171 0.000 3/13824 50.0 1.725 1.173 2.038 0.000 0.125 0.000 3/13824 60.0 1.386 0.943 1.635 0.000 0.098 0.000 3/13824 70.0 1.165 0.793 1.372 0.000 0.081 0.000 3/13824 80.0 1.007 0.686 1.186 0.000 0.069 0.000 3/13824 90.0 0.890 0.606 1.047 0.000 0.060 0.000 3/13824 100.0 0.798 0.543 0.938 0.000 0.053 0.000 3/13824 110.0 0.724 0.493 0.851 0.000 0.048 0.000 3/13824 120.0 0.663 0.451 0.780 0.000 0.043 0.000 3/13824 130.0 0.612 0.416 0.720 0.000 0.040 0.000 3/13824 140.0 0.569 0.387 0.669 0.000 0.037 0.000 3/13824 150.0 0.531 0.361 0.624 0.000 0.034 0.000 3/13824 160.0 0.499 0.338 0.586 0.000 0.032 0.000 3/13824 170.0 0.470 0.319 0.552 0.000 0.030 0.000 3/13824 180.0 0.444 0.301 0.522 0.000 0.028 0.000 3/13824 190.0 0.421 0.285 0.495 0.000 0.026 0.000 3/13824 200.0 0.400 0.271 0.470 0.000 0.025 0.000 3/13824 210.0 0.381 0.258 0.448 0.000 0.024 0.000 3/13824 220.0 0.364 0.247 0.428 0.000 0.023 0.000 3/13824 230.0 0.349 0.236 0.410 0.000 0.022 0.000 3/13824 240.0 0.335 0.226 0.393 0.000 0.021 0.000 3/13824 250.0 0.321 0.217 0.378 0.000 0.020 0.000 3/13824 260.0 0.309 0.209 0.363 0.000 0.019 0.000 3/13824 270.0 0.298 0.201 0.350 0.000 0.018 0.000 3/13824 280.0 0.288 0.194 0.338 0.000 0.018 0.000 3/13824 290.0 0.278 0.188 0.326 0.000 0.017 0.000 3/13824 300.0 0.269 0.181 0.316 0.000 0.016 0.000 3/13824 310.0 0.260 0.176 0.306 0.000 0.016 0.000 3/13824 320.0 0.252 0.170 0.296 0.000 0.015 0.000 3/13824 330.0 0.245 0.165 0.287 0.000 0.015 0.000 3/13824 340.0 0.238 0.160 0.279 0.000 0.014 0.000 3/13824 350.0 0.231 0.156 0.271 0.000 0.014 0.000 3/13824 360.0 0.225 0.151 0.264 0.000 0.014 0.000 3/13824 370.0 0.219 0.147 0.257 0.000 0.013 0.000 3/13824 380.0 0.213 0.144 0.250 0.000 0.013 0.000 3/13824 390.0 0.207 0.140 0.244 0.000 0.012 0.000 3/13824 400.0 0.202 0.136 0.238 0.000 0.012 0.000 3/13824 410.0 0.197 0.133 0.232 0.000 0.012 0.000 3/13824 420.0 0.193 0.130 0.227 0.000 0.012 0.000 3/13824 430.0 0.188 0.127 0.222 0.000 0.011 0.000 3/13824 440.0 0.184 0.124 0.217 0.000 0.011 0.000 3/13824 450.0 0.180 0.121 0.212 0.000 0.011 0.000 3/13824 460.0 0.176 0.119 0.207 0.000 0.011 0.000 3/13824 470.0 0.173 0.116 0.203 0.000 0.010 0.000 3/13824 480.0 0.169 0.114 0.199 0.000 0.010 0.000 3/13824 490.0 0.166 0.112 0.195 0.000 0.010 0.000 3/13824 500.0 0.162 0.109 0.191 0.000 0.010 0.000 3/13824 510.0 0.159 0.107 0.187 0.000 0.009 0.000 3/13824 520.0 0.156 0.105 0.184 0.000 0.009 0.000 3/13824 530.0 0.153 0.103 0.180 0.000 0.009 0.000 3/13824 540.0 0.150 0.101 0.177 0.000 0.009 0.000 3/13824 550.0 0.148 0.099 0.174 0.000 0.009 0.000 3/13824 560.0 0.145 0.098 0.171 0.000 0.009 0.000 3/13824 570.0 0.143 0.096 0.168 0.000 0.008 0.000 3/13824 580.0 0.140 0.094 0.165 0.000 0.008 0.000 3/13824 590.0 0.138 0.093 0.162 0.000 0.008 0.000 3/13824 600.0 0.136 0.091 0.159 0.000 0.008 0.000 3/13824 610.0 0.133 0.090 0.157 0.000 0.008 0.000 3/13824 620.0 0.131 0.088 0.154 0.000 0.008 0.000 3/13824 630.0 0.129 0.087 0.152 0.000 0.008 0.000 3/13824 640.0 0.127 0.086 0.150 0.000 0.008 0.000 3/13824 650.0 0.125 0.084 0.147 0.000 0.007 0.000 3/13824 660.0 0.123 0.083 0.145 0.000 0.007 0.000 3/13824 670.0 0.122 0.082 0.143 0.000 0.007 0.000 3/13824 680.0 0.120 0.081 0.141 0.000 0.007 0.000 3/13824 690.0 0.118 0.079 0.139 0.000 0.007 0.000 3/13824 700.0 0.116 0.078 0.137 0.000 0.007 0.000 3/13824 710.0 0.115 0.077 0.135 0.000 0.007 0.000 3/13824 720.0 0.113 0.076 0.133 0.000 0.007 0.000 3/13824 730.0 0.112 0.075 0.131 0.000 0.007 0.000 3/13824 740.0 0.110 0.074 0.129 0.000 0.006 0.000 3/13824 750.0 0.109 0.073 0.128 0.000 0.006 0.000 3/13824 760.0 0.107 0.072 0.126 0.000 0.006 0.000 3/13824 770.0 0.106 0.071 0.124 0.000 0.006 0.000 3/13824 780.0 0.105 0.070 0.123 0.000 0.006 0.000 3/13824 790.0 0.103 0.069 0.121 0.000 0.006 0.000 3/13824 800.0 0.102 0.069 0.120 0.000 0.006 0.000 3/13824 810.0 0.101 0.068 0.118 0.000 0.006 0.000 3/13824 820.0 0.099 0.067 0.117 0.000 0.006 0.000 3/13824 830.0 0.098 0.066 0.116 0.000 0.006 0.000 3/13824 840.0 0.097 0.065 0.114 0.000 0.006 0.000 3/13824 850.0 0.096 0.065 0.113 0.000 0.006 0.000 3/13824 860.0 0.095 0.064 0.112 0.000 0.006 0.000 3/13824 870.0 0.094 0.063 0.110 0.000 0.006 0.000 3/13824 880.0 0.093 0.062 0.109 0.000 0.005 0.000 3/13824 890.0 0.092 0.062 0.108 0.000 0.005 0.000 3/13824 900.0 0.091 0.061 0.107 0.000 0.005 0.000 3/13824 910.0 0.090 0.060 0.105 0.000 0.005 0.000 3/13824 920.0 0.089 0.060 0.104 0.000 0.005 0.000 3/13824 930.0 0.088 0.059 0.103 0.000 0.005 0.000 3/13824 940.0 0.087 0.058 0.102 0.000 0.005 0.000 3/13824 950.0 0.086 0.058 0.101 0.000 0.005 0.000 3/13824 960.0 0.085 0.057 0.100 0.000 0.005 0.000 3/13824 970.0 0.084 0.057 0.099 0.000 0.005 0.000 3/13824 980.0 0.083 0.056 0.098 0.000 0.005 0.000 3/13824 990.0 0.082 0.055 0.097 0.000 0.005 0.000 3/13824 1000.0 0.082 0.055 0.096 0.000 0.005 0.000 3/13824 Thermal conductivity related properties were written into "kappa-m884.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:09:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|