----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:56:04]------------------------- 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 1 3] 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: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.664200095005229 -5.658138135000000 0.000000000000000 b 3.664200095005229 5.658138135000000 0.000000000000000 c -3.400621751144835 0.000000000000000 4.091082355273537 Atomic positions (fractional): *1 Nd 0.86354994390911 0.13645005609089 0.25000000000000 144.242 2 Nd 0.13645005609089 0.86354994390911 0.75000000000000 144.242 *3 Bi 0.40139184805794 0.59860815194206 0.25000000000000 208.980 4 Bi 0.59860815194206 0.40139184805794 0.75000000000000 208.980 *5 O 0.44988150840566 0.88610301890127 0.16803853035975 15.999 6 O 0.88610301890127 0.44988150840566 0.66803853035975 15.999 *7 O 0.76488389683231 0.71168963597539 0.23297776684433 15.999 8 O 0.71168963597539 0.76488389683231 0.73297776684433 15.999 9 O 0.28831036402461 0.23511610316769 0.26702223315567 15.999 10 O 0.23511610316769 0.28831036402461 0.76702223315567 15.999 11 O 0.11389698109873 0.55011849159434 0.33196146964025 15.999 12 O 0.55011849159434 0.11389698109873 0.83196146964025 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.328400190010457 0.000000000000000 0.000000000000000 b 0.000000000000000 11.316276269999999 0.000000000000000 c -3.400621751144835 0.000000000000000 4.091082355273537 Atomic positions (fractional): *1 Nd 0.50000000000000 0.63645005609089 0.25000000000000 144.242 > 1 2 Nd 0.00000000000000 0.86354994390911 0.75000000000000 144.242 > 2 3 Nd 0.00000000000000 0.13645005609089 0.25000000000000 144.242 > 1 4 Nd 0.50000000000000 0.36354994390911 0.75000000000000 144.242 > 2 *5 Bi 0.00000000000000 0.59860815194206 0.25000000000000 208.980 > 3 6 Bi 0.50000000000000 0.90139184805794 0.75000000000000 208.980 > 4 7 Bi 0.50000000000000 0.09860815194206 0.25000000000000 208.980 > 3 8 Bi 0.00000000000000 0.40139184805794 0.75000000000000 208.980 > 4 *9 O 0.16799226365346 0.71811075524781 0.16803853035975 15.999 > 5 10 O 0.66799226365346 0.78188924475219 0.66803853035975 15.999 > 6 *11 O 0.73828676640385 0.97340286957154 0.23297776684433 15.999 > 7 12 O 0.23828676640385 0.52659713042846 0.73297776684433 15.999 > 8 13 O 0.26171323359615 0.97340286957154 0.26702223315567 15.999 > 9 14 O 0.76171323359615 0.52659713042846 0.76702223315567 15.999 > 10 15 O 0.83200773634654 0.71811075524781 0.33196146964025 15.999 > 11 16 O 0.33200773634654 0.78188924475219 0.83196146964025 15.999 > 12 17 O 0.66799226365346 0.21811075524781 0.16803853035975 15.999 > 5 18 O 0.16799226365346 0.28188924475219 0.66803853035975 15.999 > 6 19 O 0.23828676640385 0.47340286957154 0.23297776684433 15.999 > 7 20 O 0.73828676640385 0.02659713042846 0.73297776684433 15.999 > 8 21 O 0.76171323359615 0.47340286957154 0.26702223315567 15.999 > 9 22 O 0.26171323359615 0.02659713042846 0.76702223315567 15.999 > 10 23 O 0.33200773634654 0.21811075524781 0.33196146964025 15.999 > 11 24 O 0.83200773634654 0.28188924475219 0.83196146964025 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.656800380020915 0.000000000000000 0.000000000000000 b 0.000000000000000 11.316276269999999 0.000000000000000 c -10.201865253434505 0.000000000000000 12.273247065820611 Atomic positions (fractional): *1 Nd 0.25000000000000 0.63645005609089 0.08333333333333 144.242 > 1 2 Nd 0.75000000000000 0.63645005609089 0.08333333333333 144.242 > 1 3 Nd 0.25000000000000 0.63645005609089 0.41666666666667 144.242 > 1 4 Nd 0.75000000000000 0.63645005609089 0.41666666666667 144.242 > 1 5 Nd 0.25000000000000 0.63645005609089 0.75000000000000 144.242 > 1 6 Nd 0.75000000000000 0.63645005609089 0.75000000000000 144.242 > 1 7 Nd 0.00000000000000 0.86354994390911 0.25000000000000 144.242 > 2 8 Nd 0.50000000000000 0.86354994390911 0.25000000000000 144.242 > 2 9 Nd 0.00000000000000 0.86354994390911 0.58333333333333 144.242 > 2 10 Nd 0.50000000000000 0.86354994390911 0.58333333333333 144.242 > 2 11 Nd 0.00000000000000 0.86354994390911 0.91666666666667 144.242 > 2 12 Nd 0.50000000000000 0.86354994390911 0.91666666666667 144.242 > 2 13 Nd 0.00000000000000 0.13645005609089 0.08333333333333 144.242 > 1 14 Nd 0.50000000000000 0.13645005609089 0.08333333333333 144.242 > 1 15 Nd 0.00000000000000 0.13645005609089 0.41666666666667 144.242 > 1 16 Nd 0.50000000000000 0.13645005609089 0.41666666666667 144.242 > 1 17 Nd 0.00000000000000 0.13645005609089 0.75000000000000 144.242 > 1 18 Nd 0.50000000000000 0.13645005609089 0.75000000000000 144.242 > 1 19 Nd 0.25000000000000 0.36354994390911 0.25000000000000 144.242 > 2 20 Nd 0.75000000000000 0.36354994390911 0.25000000000000 144.242 > 2 21 Nd 0.25000000000000 0.36354994390911 0.58333333333333 144.242 > 2 22 Nd 0.75000000000000 0.36354994390911 0.58333333333333 144.242 > 2 23 Nd 0.25000000000000 0.36354994390911 0.91666666666667 144.242 > 2 24 Nd 0.75000000000000 0.36354994390911 0.91666666666667 144.242 > 2 *25 Bi 0.00000000000000 0.59860815194206 0.08333333333333 208.980 > 3 26 Bi 0.50000000000000 0.59860815194206 0.08333333333333 208.980 > 3 27 Bi 0.00000000000000 0.59860815194206 0.41666666666667 208.980 > 3 28 Bi 0.50000000000000 0.59860815194206 0.41666666666667 208.980 > 3 29 Bi 0.00000000000000 0.59860815194206 0.75000000000000 208.980 > 3 30 Bi 0.50000000000000 0.59860815194206 0.75000000000000 208.980 > 3 31 Bi 0.25000000000000 0.90139184805794 0.25000000000000 208.980 > 4 32 Bi 0.75000000000000 0.90139184805794 0.25000000000000 208.980 > 4 33 Bi 0.25000000000000 0.90139184805794 0.58333333333333 208.980 > 4 34 Bi 0.75000000000000 0.90139184805794 0.58333333333333 208.980 > 4 35 Bi 0.25000000000000 0.90139184805794 0.91666666666667 208.980 > 4 36 Bi 0.75000000000000 0.90139184805794 0.91666666666667 208.980 > 4 37 Bi 0.25000000000000 0.09860815194206 0.08333333333333 208.980 > 3 38 Bi 0.75000000000000 0.09860815194206 0.08333333333333 208.980 > 3 39 Bi 0.25000000000000 0.09860815194206 0.41666666666667 208.980 > 3 40 Bi 0.75000000000000 0.09860815194206 0.41666666666667 208.980 > 3 41 Bi 0.25000000000000 0.09860815194206 0.75000000000000 208.980 > 3 42 Bi 0.75000000000000 0.09860815194206 0.75000000000000 208.980 > 3 43 Bi 0.00000000000000 0.40139184805794 0.25000000000000 208.980 > 4 44 Bi 0.50000000000000 0.40139184805794 0.25000000000000 208.980 > 4 45 Bi 0.00000000000000 0.40139184805794 0.58333333333333 208.980 > 4 46 Bi 0.50000000000000 0.40139184805794 0.58333333333333 208.980 > 4 47 Bi 0.00000000000000 0.40139184805794 0.91666666666667 208.980 > 4 48 Bi 0.50000000000000 0.40139184805794 0.91666666666667 208.980 > 4 *49 O 0.08399613182673 0.71811075524781 0.05601284345325 15.999 > 5 50 O 0.58399613182673 0.71811075524781 0.05601284345325 15.999 > 5 51 O 0.08399613182673 0.71811075524781 0.38934617678658 15.999 > 5 52 O 0.58399613182673 0.71811075524781 0.38934617678658 15.999 > 5 53 O 0.08399613182673 0.71811075524781 0.72267951011992 15.999 > 5 54 O 0.58399613182673 0.71811075524781 0.72267951011992 15.999 > 5 55 O 0.33399613182673 0.78188924475219 0.22267951011992 15.999 > 6 56 O 0.83399613182673 0.78188924475219 0.22267951011992 15.999 > 6 57 O 0.33399613182673 0.78188924475219 0.55601284345325 15.999 > 6 58 O 0.83399613182673 0.78188924475219 0.55601284345325 15.999 > 6 59 O 0.33399613182673 0.78188924475219 0.88934617678658 15.999 > 6 60 O 0.83399613182673 0.78188924475219 0.88934617678658 15.999 > 6 *61 O 0.36914338320193 0.97340286957154 0.07765925561478 15.999 > 7 62 O 0.86914338320193 0.97340286957154 0.07765925561478 15.999 > 7 63 O 0.36914338320193 0.97340286957154 0.41099258894811 15.999 > 7 64 O 0.86914338320193 0.97340286957154 0.41099258894811 15.999 > 7 65 O 0.36914338320193 0.97340286957154 0.74432592228144 15.999 > 7 66 O 0.86914338320193 0.97340286957154 0.74432592228144 15.999 > 7 67 O 0.11914338320193 0.52659713042846 0.24432592228144 15.999 > 8 68 O 0.61914338320193 0.52659713042846 0.24432592228144 15.999 > 8 69 O 0.11914338320193 0.52659713042846 0.57765925561478 15.999 > 8 70 O 0.61914338320193 0.52659713042846 0.57765925561478 15.999 > 8 71 O 0.11914338320193 0.52659713042846 0.91099258894811 15.999 > 8 72 O 0.61914338320193 0.52659713042846 0.91099258894811 15.999 > 8 73 O 0.13085661679807 0.97340286957154 0.08900741105189 15.999 > 9 74 O 0.63085661679807 0.97340286957154 0.08900741105189 15.999 > 9 75 O 0.13085661679807 0.97340286957154 0.42234074438522 15.999 > 9 76 O 0.63085661679807 0.97340286957154 0.42234074438522 15.999 > 9 77 O 0.13085661679807 0.97340286957154 0.75567407771856 15.999 > 9 78 O 0.63085661679807 0.97340286957154 0.75567407771856 15.999 > 9 79 O 0.38085661679807 0.52659713042846 0.25567407771856 15.999 > 10 80 O 0.88085661679807 0.52659713042846 0.25567407771856 15.999 > 10 81 O 0.38085661679807 0.52659713042846 0.58900741105189 15.999 > 10 82 O 0.88085661679807 0.52659713042846 0.58900741105189 15.999 > 10 83 O 0.38085661679807 0.52659713042846 0.92234074438522 15.999 > 10 84 O 0.88085661679807 0.52659713042846 0.92234074438522 15.999 > 10 85 O 0.41600386817327 0.71811075524781 0.11065382321342 15.999 > 11 86 O 0.91600386817327 0.71811075524781 0.11065382321342 15.999 > 11 87 O 0.41600386817327 0.71811075524781 0.44398715654675 15.999 > 11 88 O 0.91600386817327 0.71811075524781 0.44398715654675 15.999 > 11 89 O 0.41600386817327 0.71811075524781 0.77732048988008 15.999 > 11 90 O 0.91600386817327 0.71811075524781 0.77732048988008 15.999 > 11 91 O 0.16600386817327 0.78188924475219 0.27732048988008 15.999 > 12 92 O 0.66600386817327 0.78188924475219 0.27732048988008 15.999 > 12 93 O 0.16600386817327 0.78188924475219 0.61065382321342 15.999 > 12 94 O 0.66600386817327 0.78188924475219 0.61065382321342 15.999 > 12 95 O 0.16600386817327 0.78188924475219 0.94398715654675 15.999 > 12 96 O 0.66600386817327 0.78188924475219 0.94398715654675 15.999 > 12 97 O 0.33399613182673 0.21811075524781 0.05601284345325 15.999 > 5 98 O 0.83399613182673 0.21811075524781 0.05601284345325 15.999 > 5 99 O 0.33399613182673 0.21811075524781 0.38934617678658 15.999 > 5 100 O 0.83399613182673 0.21811075524781 0.38934617678658 15.999 > 5 101 O 0.33399613182673 0.21811075524781 0.72267951011992 15.999 > 5 102 O 0.83399613182673 0.21811075524781 0.72267951011992 15.999 > 5 103 O 0.08399613182673 0.28188924475219 0.22267951011992 15.999 > 6 104 O 0.58399613182673 0.28188924475219 0.22267951011992 15.999 > 6 105 O 0.08399613182673 0.28188924475219 0.55601284345325 15.999 > 6 106 O 0.58399613182673 0.28188924475219 0.55601284345325 15.999 > 6 107 O 0.08399613182673 0.28188924475219 0.88934617678658 15.999 > 6 108 O 0.58399613182673 0.28188924475219 0.88934617678658 15.999 > 6 109 O 0.11914338320193 0.47340286957154 0.07765925561478 15.999 > 7 110 O 0.61914338320193 0.47340286957154 0.07765925561478 15.999 > 7 111 O 0.11914338320193 0.47340286957154 0.41099258894811 15.999 > 7 112 O 0.61914338320193 0.47340286957154 0.41099258894811 15.999 > 7 113 O 0.11914338320193 0.47340286957154 0.74432592228144 15.999 > 7 114 O 0.61914338320193 0.47340286957154 0.74432592228144 15.999 > 7 115 O 0.36914338320193 0.02659713042846 0.24432592228144 15.999 > 8 116 O 0.86914338320193 0.02659713042846 0.24432592228144 15.999 > 8 117 O 0.36914338320193 0.02659713042846 0.57765925561478 15.999 > 8 118 O 0.86914338320193 0.02659713042846 0.57765925561478 15.999 > 8 119 O 0.36914338320193 0.02659713042846 0.91099258894811 15.999 > 8 120 O 0.86914338320193 0.02659713042846 0.91099258894811 15.999 > 8 121 O 0.38085661679807 0.47340286957154 0.08900741105189 15.999 > 9 122 O 0.88085661679807 0.47340286957154 0.08900741105189 15.999 > 9 123 O 0.38085661679807 0.47340286957154 0.42234074438522 15.999 > 9 124 O 0.88085661679807 0.47340286957154 0.42234074438522 15.999 > 9 125 O 0.38085661679807 0.47340286957154 0.75567407771856 15.999 > 9 126 O 0.88085661679807 0.47340286957154 0.75567407771856 15.999 > 9 127 O 0.13085661679807 0.02659713042846 0.25567407771856 15.999 > 10 128 O 0.63085661679807 0.02659713042846 0.25567407771856 15.999 > 10 129 O 0.13085661679807 0.02659713042846 0.58900741105189 15.999 > 10 130 O 0.63085661679807 0.02659713042846 0.58900741105189 15.999 > 10 131 O 0.13085661679807 0.02659713042846 0.92234074438522 15.999 > 10 132 O 0.63085661679807 0.02659713042846 0.92234074438522 15.999 > 10 133 O 0.16600386817327 0.21811075524781 0.11065382321342 15.999 > 11 134 O 0.66600386817327 0.21811075524781 0.11065382321342 15.999 > 11 135 O 0.16600386817327 0.21811075524781 0.44398715654675 15.999 > 11 136 O 0.66600386817327 0.21811075524781 0.44398715654675 15.999 > 11 137 O 0.16600386817327 0.21811075524781 0.77732048988008 15.999 > 11 138 O 0.66600386817327 0.21811075524781 0.77732048988008 15.999 > 11 139 O 0.41600386817327 0.28188924475219 0.27732048988008 15.999 > 12 140 O 0.91600386817327 0.28188924475219 0.27732048988008 15.999 > 12 141 O 0.41600386817327 0.28188924475219 0.61065382321342 15.999 > 12 142 O 0.91600386817327 0.28188924475219 0.61065382321342 15.999 > 12 143 O 0.41600386817327 0.28188924475219 0.94398715654675 15.999 > 12 144 O 0.91600386817327 0.28188924475219 0.94398715654675 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4988601 0.0000000 -0.5398915 0.0000000 6.2551432 0.0000000 -0.5399053 0.0000000 6.4416762 -------------------------- Born effective charges -------------------------- 1 Nd 4.4799402 0.0000000 0.1464093 0.0000000 3.7669803 0.0000000 0.7422372 0.0000000 4.3591594 2 Nd 4.4799402 0.0000000 0.1464093 0.0000000 3.7669803 0.0000000 0.7422372 0.0000000 4.3591594 3 Bi 4.8191666 0.0000000 -0.6134601 0.0000000 4.9936361 0.0000000 -1.2345335 0.0000000 4.4481100 4 Bi 4.8191666 0.0000000 -0.6134601 0.0000000 4.9936361 0.0000000 -1.2345335 0.0000000 4.4481100 5 O -2.6053519 -0.2103338 0.1922603 -0.4208549 -2.2816389 0.5905329 0.1251226 0.4734349 -1.7475429 6 O -2.6053519 0.2103338 0.1922603 0.4208549 -2.2816389 -0.5905329 0.1251226 -0.4734349 -1.7475429 7 O -2.0442015 0.1637175 0.0412651 0.2536194 -2.0986692 -0.0361651 0.1210256 -0.2059913 -2.6560918 8 O -2.0442015 -0.1637175 0.0412651 -0.2536194 -2.0986692 0.0361651 0.1210256 0.2059913 -2.6560918 9 O -2.0442015 -0.1637175 0.0412651 -0.2536194 -2.0986692 0.0361651 0.1210256 0.2059913 -2.6560918 10 O -2.0442015 0.1637175 0.0412651 0.2536194 -2.0986692 -0.0361651 0.1210256 -0.2059913 -2.6560918 11 O -2.6053519 0.2103338 0.1922603 0.4208549 -2.2816389 -0.5905329 0.1251226 -0.4734349 -1.7475429 12 O -2.6053519 -0.2103338 0.1922603 -0.4208549 -2.2816389 0.5905329 0.1251226 0.4734349 -1.7475429 ---------------------------------------------------------------------------- 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: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.823 Solver_block: 200 / 400 - Time: 0.814 Solver_block: 300 / 400 - Time: 0.813 Solver_block: 400 / 400 - Time: 0.810 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.348 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:56:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:56:30]------------------------- 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 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.664200095005229 -5.658138135000000 0.000000000000000 b 3.664200095005229 5.658138135000000 0.000000000000000 c -3.400621751144835 0.000000000000000 4.091082355273537 Atomic positions (fractional): 1 Nd 0.86354994390911 0.13645005609089 0.25000000000000 144.242 2 Nd 0.13645005609089 0.86354994390911 0.75000000000000 144.242 3 Bi 0.40139184805794 0.59860815194206 0.25000000000000 208.980 4 Bi 0.59860815194206 0.40139184805794 0.75000000000000 208.980 5 O 0.44988150840566 0.88610301890127 0.16803853035975 15.999 6 O 0.88610301890127 0.44988150840566 0.66803853035975 15.999 7 O 0.76488389683231 0.71168963597539 0.23297776684433 15.999 8 O 0.71168963597539 0.76488389683231 0.73297776684433 15.999 9 O 0.28831036402461 0.23511610316769 0.26702223315567 15.999 10 O 0.23511610316769 0.28831036402461 0.76702223315567 15.999 11 O 0.11389698109873 0.55011849159434 0.33196146964025 15.999 12 O 0.55011849159434 0.11389698109873 0.83196146964025 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.656800380020915 0.000000000000000 0.000000000000000 b 0.000000000000000 11.316276269999999 0.000000000000000 c -10.201865253434505 0.000000000000000 12.273247065820611 Atomic positions (fractional): 1 Nd 0.25000000000000 0.63645005609089 0.08333333333333 144.242 > 1 2 Nd 0.75000000000000 0.63645005609089 0.08333333333333 144.242 > 1 3 Nd 0.25000000000000 0.63645005609089 0.41666666666667 144.242 > 1 4 Nd 0.75000000000000 0.63645005609089 0.41666666666667 144.242 > 1 5 Nd 0.25000000000000 0.63645005609089 0.75000000000000 144.242 > 1 6 Nd 0.75000000000000 0.63645005609089 0.75000000000000 144.242 > 1 7 Nd 0.00000000000000 0.86354994390911 0.25000000000000 144.242 > 7 8 Nd 0.50000000000000 0.86354994390911 0.25000000000000 144.242 > 7 9 Nd 0.00000000000000 0.86354994390911 0.58333333333333 144.242 > 7 10 Nd 0.50000000000000 0.86354994390911 0.58333333333333 144.242 > 7 11 Nd 0.00000000000000 0.86354994390911 0.91666666666667 144.242 > 7 12 Nd 0.50000000000000 0.86354994390911 0.91666666666667 144.242 > 7 13 Nd 0.00000000000000 0.13645005609089 0.08333333333333 144.242 > 1 14 Nd 0.50000000000000 0.13645005609089 0.08333333333333 144.242 > 1 15 Nd 0.00000000000000 0.13645005609089 0.41666666666667 144.242 > 1 16 Nd 0.50000000000000 0.13645005609089 0.41666666666667 144.242 > 1 17 Nd 0.00000000000000 0.13645005609089 0.75000000000000 144.242 > 1 18 Nd 0.50000000000000 0.13645005609089 0.75000000000000 144.242 > 1 19 Nd 0.25000000000000 0.36354994390911 0.25000000000000 144.242 > 7 20 Nd 0.75000000000000 0.36354994390911 0.25000000000000 144.242 > 7 21 Nd 0.25000000000000 0.36354994390911 0.58333333333333 144.242 > 7 22 Nd 0.75000000000000 0.36354994390911 0.58333333333333 144.242 > 7 23 Nd 0.25000000000000 0.36354994390911 0.91666666666667 144.242 > 7 24 Nd 0.75000000000000 0.36354994390911 0.91666666666667 144.242 > 7 25 Bi 0.00000000000000 0.59860815194206 0.08333333333333 208.980 > 25 26 Bi 0.50000000000000 0.59860815194206 0.08333333333333 208.980 > 25 27 Bi 0.00000000000000 0.59860815194206 0.41666666666667 208.980 > 25 28 Bi 0.50000000000000 0.59860815194206 0.41666666666667 208.980 > 25 29 Bi 0.00000000000000 0.59860815194206 0.75000000000000 208.980 > 25 30 Bi 0.50000000000000 0.59860815194206 0.75000000000000 208.980 > 25 31 Bi 0.25000000000000 0.90139184805794 0.25000000000000 208.980 > 31 32 Bi 0.75000000000000 0.90139184805794 0.25000000000000 208.980 > 31 33 Bi 0.25000000000000 0.90139184805794 0.58333333333333 208.980 > 31 34 Bi 0.75000000000000 0.90139184805794 0.58333333333333 208.980 > 31 35 Bi 0.25000000000000 0.90139184805794 0.91666666666667 208.980 > 31 36 Bi 0.75000000000000 0.90139184805794 0.91666666666667 208.980 > 31 37 Bi 0.25000000000000 0.09860815194206 0.08333333333333 208.980 > 25 38 Bi 0.75000000000000 0.09860815194206 0.08333333333333 208.980 > 25 39 Bi 0.25000000000000 0.09860815194206 0.41666666666667 208.980 > 25 40 Bi 0.75000000000000 0.09860815194206 0.41666666666667 208.980 > 25 41 Bi 0.25000000000000 0.09860815194206 0.75000000000000 208.980 > 25 42 Bi 0.75000000000000 0.09860815194206 0.75000000000000 208.980 > 25 43 Bi 0.00000000000000 0.40139184805794 0.25000000000000 208.980 > 31 44 Bi 0.50000000000000 0.40139184805794 0.25000000000000 208.980 > 31 45 Bi 0.00000000000000 0.40139184805794 0.58333333333333 208.980 > 31 46 Bi 0.50000000000000 0.40139184805794 0.58333333333333 208.980 > 31 47 Bi 0.00000000000000 0.40139184805794 0.91666666666667 208.980 > 31 48 Bi 0.50000000000000 0.40139184805794 0.91666666666667 208.980 > 31 49 O 0.08399613182673 0.71811075524781 0.05601284345325 15.999 > 49 50 O 0.58399613182673 0.71811075524781 0.05601284345325 15.999 > 49 51 O 0.08399613182673 0.71811075524781 0.38934617678658 15.999 > 49 52 O 0.58399613182673 0.71811075524781 0.38934617678658 15.999 > 49 53 O 0.08399613182673 0.71811075524781 0.72267951011992 15.999 > 49 54 O 0.58399613182673 0.71811075524781 0.72267951011992 15.999 > 49 55 O 0.33399613182673 0.78188924475219 0.22267951011992 15.999 > 55 56 O 0.83399613182673 0.78188924475219 0.22267951011992 15.999 > 55 57 O 0.33399613182673 0.78188924475219 0.55601284345325 15.999 > 55 58 O 0.83399613182673 0.78188924475219 0.55601284345325 15.999 > 55 59 O 0.33399613182673 0.78188924475219 0.88934617678658 15.999 > 55 60 O 0.83399613182673 0.78188924475219 0.88934617678658 15.999 > 55 61 O 0.36914338320193 0.97340286957154 0.07765925561478 15.999 > 61 62 O 0.86914338320193 0.97340286957154 0.07765925561478 15.999 > 61 63 O 0.36914338320193 0.97340286957154 0.41099258894811 15.999 > 61 64 O 0.86914338320193 0.97340286957154 0.41099258894811 15.999 > 61 65 O 0.36914338320193 0.97340286957154 0.74432592228144 15.999 > 61 66 O 0.86914338320193 0.97340286957154 0.74432592228144 15.999 > 61 67 O 0.11914338320193 0.52659713042846 0.24432592228144 15.999 > 67 68 O 0.61914338320193 0.52659713042846 0.24432592228144 15.999 > 67 69 O 0.11914338320193 0.52659713042846 0.57765925561478 15.999 > 67 70 O 0.61914338320193 0.52659713042846 0.57765925561478 15.999 > 67 71 O 0.11914338320193 0.52659713042846 0.91099258894811 15.999 > 67 72 O 0.61914338320193 0.52659713042846 0.91099258894811 15.999 > 67 73 O 0.13085661679807 0.97340286957154 0.08900741105189 15.999 > 73 74 O 0.63085661679807 0.97340286957154 0.08900741105189 15.999 > 73 75 O 0.13085661679807 0.97340286957154 0.42234074438522 15.999 > 73 76 O 0.63085661679807 0.97340286957154 0.42234074438522 15.999 > 73 77 O 0.13085661679807 0.97340286957154 0.75567407771856 15.999 > 73 78 O 0.63085661679807 0.97340286957154 0.75567407771856 15.999 > 73 79 O 0.38085661679807 0.52659713042846 0.25567407771856 15.999 > 79 80 O 0.88085661679807 0.52659713042846 0.25567407771856 15.999 > 79 81 O 0.38085661679807 0.52659713042846 0.58900741105189 15.999 > 79 82 O 0.88085661679807 0.52659713042846 0.58900741105189 15.999 > 79 83 O 0.38085661679807 0.52659713042846 0.92234074438522 15.999 > 79 84 O 0.88085661679807 0.52659713042846 0.92234074438522 15.999 > 79 85 O 0.41600386817327 0.71811075524781 0.11065382321342 15.999 > 85 86 O 0.91600386817327 0.71811075524781 0.11065382321342 15.999 > 85 87 O 0.41600386817327 0.71811075524781 0.44398715654675 15.999 > 85 88 O 0.91600386817327 0.71811075524781 0.44398715654675 15.999 > 85 89 O 0.41600386817327 0.71811075524781 0.77732048988008 15.999 > 85 90 O 0.91600386817327 0.71811075524781 0.77732048988008 15.999 > 85 91 O 0.16600386817327 0.78188924475219 0.27732048988008 15.999 > 91 92 O 0.66600386817327 0.78188924475219 0.27732048988008 15.999 > 91 93 O 0.16600386817327 0.78188924475219 0.61065382321342 15.999 > 91 94 O 0.66600386817327 0.78188924475219 0.61065382321342 15.999 > 91 95 O 0.16600386817327 0.78188924475219 0.94398715654675 15.999 > 91 96 O 0.66600386817327 0.78188924475219 0.94398715654675 15.999 > 91 97 O 0.33399613182673 0.21811075524781 0.05601284345325 15.999 > 49 98 O 0.83399613182673 0.21811075524781 0.05601284345325 15.999 > 49 99 O 0.33399613182673 0.21811075524781 0.38934617678658 15.999 > 49 100 O 0.83399613182673 0.21811075524781 0.38934617678658 15.999 > 49 101 O 0.33399613182673 0.21811075524781 0.72267951011992 15.999 > 49 102 O 0.83399613182673 0.21811075524781 0.72267951011992 15.999 > 49 103 O 0.08399613182673 0.28188924475219 0.22267951011992 15.999 > 55 104 O 0.58399613182673 0.28188924475219 0.22267951011992 15.999 > 55 105 O 0.08399613182673 0.28188924475219 0.55601284345325 15.999 > 55 106 O 0.58399613182673 0.28188924475219 0.55601284345325 15.999 > 55 107 O 0.08399613182673 0.28188924475219 0.88934617678658 15.999 > 55 108 O 0.58399613182673 0.28188924475219 0.88934617678658 15.999 > 55 109 O 0.11914338320193 0.47340286957154 0.07765925561478 15.999 > 61 110 O 0.61914338320193 0.47340286957154 0.07765925561478 15.999 > 61 111 O 0.11914338320193 0.47340286957154 0.41099258894811 15.999 > 61 112 O 0.61914338320193 0.47340286957154 0.41099258894811 15.999 > 61 113 O 0.11914338320193 0.47340286957154 0.74432592228144 15.999 > 61 114 O 0.61914338320193 0.47340286957154 0.74432592228144 15.999 > 61 115 O 0.36914338320193 0.02659713042846 0.24432592228144 15.999 > 67 116 O 0.86914338320193 0.02659713042846 0.24432592228144 15.999 > 67 117 O 0.36914338320193 0.02659713042846 0.57765925561478 15.999 > 67 118 O 0.86914338320193 0.02659713042846 0.57765925561478 15.999 > 67 119 O 0.36914338320193 0.02659713042846 0.91099258894811 15.999 > 67 120 O 0.86914338320193 0.02659713042846 0.91099258894811 15.999 > 67 121 O 0.38085661679807 0.47340286957154 0.08900741105189 15.999 > 73 122 O 0.88085661679807 0.47340286957154 0.08900741105189 15.999 > 73 123 O 0.38085661679807 0.47340286957154 0.42234074438522 15.999 > 73 124 O 0.88085661679807 0.47340286957154 0.42234074438522 15.999 > 73 125 O 0.38085661679807 0.47340286957154 0.75567407771856 15.999 > 73 126 O 0.88085661679807 0.47340286957154 0.75567407771856 15.999 > 73 127 O 0.13085661679807 0.02659713042846 0.25567407771856 15.999 > 79 128 O 0.63085661679807 0.02659713042846 0.25567407771856 15.999 > 79 129 O 0.13085661679807 0.02659713042846 0.58900741105189 15.999 > 79 130 O 0.63085661679807 0.02659713042846 0.58900741105189 15.999 > 79 131 O 0.13085661679807 0.02659713042846 0.92234074438522 15.999 > 79 132 O 0.63085661679807 0.02659713042846 0.92234074438522 15.999 > 79 133 O 0.16600386817327 0.21811075524781 0.11065382321342 15.999 > 85 134 O 0.66600386817327 0.21811075524781 0.11065382321342 15.999 > 85 135 O 0.16600386817327 0.21811075524781 0.44398715654675 15.999 > 85 136 O 0.66600386817327 0.21811075524781 0.44398715654675 15.999 > 85 137 O 0.16600386817327 0.21811075524781 0.77732048988008 15.999 > 85 138 O 0.66600386817327 0.21811075524781 0.77732048988008 15.999 > 85 139 O 0.41600386817327 0.28188924475219 0.27732048988008 15.999 > 91 140 O 0.91600386817327 0.28188924475219 0.27732048988008 15.999 > 91 141 O 0.41600386817327 0.28188924475219 0.61065382321342 15.999 > 91 142 O 0.91600386817327 0.28188924475219 0.61065382321342 15.999 > 91 143 O 0.41600386817327 0.28188924475219 0.94398715654675 15.999 > 91 144 O 0.91600386817327 0.28188924475219 0.94398715654675 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4988601 0.0000000 -0.5398915 0.0000000 6.2551432 0.0000000 -0.5399053 0.0000000 6.4416762 -------------------------- Born effective charges -------------------------- 1 Nd 4.4799402 0.0000000 0.1464093 0.0000000 3.7669803 0.0000000 0.7422372 0.0000000 4.3591594 2 Nd 4.4799402 0.0000000 0.1464093 0.0000000 3.7669803 0.0000000 0.7422372 0.0000000 4.3591594 3 Bi 4.8191666 0.0000000 -0.6134601 0.0000000 4.9936361 0.0000000 -1.2345335 0.0000000 4.4481100 4 Bi 4.8191666 0.0000000 -0.6134601 0.0000000 4.9936361 0.0000000 -1.2345335 0.0000000 4.4481100 5 O -2.6053519 -0.2103338 0.1922603 -0.4208549 -2.2816389 0.5905329 0.1251226 0.4734349 -1.7475429 6 O -2.6053519 0.2103338 0.1922603 0.4208549 -2.2816389 -0.5905329 0.1251226 -0.4734349 -1.7475429 7 O -2.0442015 0.1637175 0.0412651 0.2536194 -2.0986692 -0.0361651 0.1210256 -0.2059913 -2.6560918 8 O -2.0442015 -0.1637175 0.0412651 -0.2536194 -2.0986692 0.0361651 0.1210256 0.2059913 -2.6560918 9 O -2.0442015 -0.1637175 0.0412651 -0.2536194 -2.0986692 0.0361651 0.1210256 0.2059913 -2.6560918 10 O -2.0442015 0.1637175 0.0412651 0.2536194 -2.0986692 -0.0361651 0.1210256 -0.2059913 -2.6560918 11 O -2.6053519 0.2103338 0.1922603 0.4208549 -2.2816389 -0.5905329 0.1251226 -0.4734349 -1.7475429 12 O -2.6053519 -0.2103338 0.1922603 -0.4208549 -2.2816389 0.5905329 0.1251226 0.4734349 -1.7475429 ---------------------------------------------------------------------------- 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 61, 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:56:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:56:55]------------------------- 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 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.664200095005229 -5.658138135000000 0.000000000000000 b 3.664200095005229 5.658138135000000 0.000000000000000 c -3.400621751144835 0.000000000000000 4.091082355273537 Atomic positions (fractional): 1 Nd 0.86354994390911 0.13645005609089 0.25000000000000 144.242 2 Nd 0.13645005609089 0.86354994390911 0.75000000000000 144.242 3 Bi 0.40139184805794 0.59860815194206 0.25000000000000 208.980 4 Bi 0.59860815194206 0.40139184805794 0.75000000000000 208.980 5 O 0.44988150840566 0.88610301890127 0.16803853035975 15.999 6 O 0.88610301890127 0.44988150840566 0.66803853035975 15.999 7 O 0.76488389683231 0.71168963597539 0.23297776684433 15.999 8 O 0.71168963597539 0.76488389683231 0.73297776684433 15.999 9 O 0.28831036402461 0.23511610316769 0.26702223315567 15.999 10 O 0.23511610316769 0.28831036402461 0.76702223315567 15.999 11 O 0.11389698109873 0.55011849159434 0.33196146964025 15.999 12 O 0.55011849159434 0.11389698109873 0.83196146964025 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.656800380020915 0.000000000000000 0.000000000000000 b 0.000000000000000 11.316276269999999 0.000000000000000 c -10.201865253434505 0.000000000000000 12.273247065820611 Atomic positions (fractional): 1 Nd 0.25000000000000 0.63645005609089 0.08333333333333 144.242 > 1 2 Nd 0.75000000000000 0.63645005609089 0.08333333333333 144.242 > 1 3 Nd 0.25000000000000 0.63645005609089 0.41666666666667 144.242 > 1 4 Nd 0.75000000000000 0.63645005609089 0.41666666666667 144.242 > 1 5 Nd 0.25000000000000 0.63645005609089 0.75000000000000 144.242 > 1 6 Nd 0.75000000000000 0.63645005609089 0.75000000000000 144.242 > 1 7 Nd 0.00000000000000 0.86354994390911 0.25000000000000 144.242 > 7 8 Nd 0.50000000000000 0.86354994390911 0.25000000000000 144.242 > 7 9 Nd 0.00000000000000 0.86354994390911 0.58333333333333 144.242 > 7 10 Nd 0.50000000000000 0.86354994390911 0.58333333333333 144.242 > 7 11 Nd 0.00000000000000 0.86354994390911 0.91666666666667 144.242 > 7 12 Nd 0.50000000000000 0.86354994390911 0.91666666666667 144.242 > 7 13 Nd 0.00000000000000 0.13645005609089 0.08333333333333 144.242 > 1 14 Nd 0.50000000000000 0.13645005609089 0.08333333333333 144.242 > 1 15 Nd 0.00000000000000 0.13645005609089 0.41666666666667 144.242 > 1 16 Nd 0.50000000000000 0.13645005609089 0.41666666666667 144.242 > 1 17 Nd 0.00000000000000 0.13645005609089 0.75000000000000 144.242 > 1 18 Nd 0.50000000000000 0.13645005609089 0.75000000000000 144.242 > 1 19 Nd 0.25000000000000 0.36354994390911 0.25000000000000 144.242 > 7 20 Nd 0.75000000000000 0.36354994390911 0.25000000000000 144.242 > 7 21 Nd 0.25000000000000 0.36354994390911 0.58333333333333 144.242 > 7 22 Nd 0.75000000000000 0.36354994390911 0.58333333333333 144.242 > 7 23 Nd 0.25000000000000 0.36354994390911 0.91666666666667 144.242 > 7 24 Nd 0.75000000000000 0.36354994390911 0.91666666666667 144.242 > 7 25 Bi 0.00000000000000 0.59860815194206 0.08333333333333 208.980 > 25 26 Bi 0.50000000000000 0.59860815194206 0.08333333333333 208.980 > 25 27 Bi 0.00000000000000 0.59860815194206 0.41666666666667 208.980 > 25 28 Bi 0.50000000000000 0.59860815194206 0.41666666666667 208.980 > 25 29 Bi 0.00000000000000 0.59860815194206 0.75000000000000 208.980 > 25 30 Bi 0.50000000000000 0.59860815194206 0.75000000000000 208.980 > 25 31 Bi 0.25000000000000 0.90139184805794 0.25000000000000 208.980 > 31 32 Bi 0.75000000000000 0.90139184805794 0.25000000000000 208.980 > 31 33 Bi 0.25000000000000 0.90139184805794 0.58333333333333 208.980 > 31 34 Bi 0.75000000000000 0.90139184805794 0.58333333333333 208.980 > 31 35 Bi 0.25000000000000 0.90139184805794 0.91666666666667 208.980 > 31 36 Bi 0.75000000000000 0.90139184805794 0.91666666666667 208.980 > 31 37 Bi 0.25000000000000 0.09860815194206 0.08333333333333 208.980 > 25 38 Bi 0.75000000000000 0.09860815194206 0.08333333333333 208.980 > 25 39 Bi 0.25000000000000 0.09860815194206 0.41666666666667 208.980 > 25 40 Bi 0.75000000000000 0.09860815194206 0.41666666666667 208.980 > 25 41 Bi 0.25000000000000 0.09860815194206 0.75000000000000 208.980 > 25 42 Bi 0.75000000000000 0.09860815194206 0.75000000000000 208.980 > 25 43 Bi 0.00000000000000 0.40139184805794 0.25000000000000 208.980 > 31 44 Bi 0.50000000000000 0.40139184805794 0.25000000000000 208.980 > 31 45 Bi 0.00000000000000 0.40139184805794 0.58333333333333 208.980 > 31 46 Bi 0.50000000000000 0.40139184805794 0.58333333333333 208.980 > 31 47 Bi 0.00000000000000 0.40139184805794 0.91666666666667 208.980 > 31 48 Bi 0.50000000000000 0.40139184805794 0.91666666666667 208.980 > 31 49 O 0.08399613182673 0.71811075524781 0.05601284345325 15.999 > 49 50 O 0.58399613182673 0.71811075524781 0.05601284345325 15.999 > 49 51 O 0.08399613182673 0.71811075524781 0.38934617678658 15.999 > 49 52 O 0.58399613182673 0.71811075524781 0.38934617678658 15.999 > 49 53 O 0.08399613182673 0.71811075524781 0.72267951011992 15.999 > 49 54 O 0.58399613182673 0.71811075524781 0.72267951011992 15.999 > 49 55 O 0.33399613182673 0.78188924475219 0.22267951011992 15.999 > 55 56 O 0.83399613182673 0.78188924475219 0.22267951011992 15.999 > 55 57 O 0.33399613182673 0.78188924475219 0.55601284345325 15.999 > 55 58 O 0.83399613182673 0.78188924475219 0.55601284345325 15.999 > 55 59 O 0.33399613182673 0.78188924475219 0.88934617678658 15.999 > 55 60 O 0.83399613182673 0.78188924475219 0.88934617678658 15.999 > 55 61 O 0.36914338320193 0.97340286957154 0.07765925561478 15.999 > 61 62 O 0.86914338320193 0.97340286957154 0.07765925561478 15.999 > 61 63 O 0.36914338320193 0.97340286957154 0.41099258894811 15.999 > 61 64 O 0.86914338320193 0.97340286957154 0.41099258894811 15.999 > 61 65 O 0.36914338320193 0.97340286957154 0.74432592228144 15.999 > 61 66 O 0.86914338320193 0.97340286957154 0.74432592228144 15.999 > 61 67 O 0.11914338320193 0.52659713042846 0.24432592228144 15.999 > 67 68 O 0.61914338320193 0.52659713042846 0.24432592228144 15.999 > 67 69 O 0.11914338320193 0.52659713042846 0.57765925561478 15.999 > 67 70 O 0.61914338320193 0.52659713042846 0.57765925561478 15.999 > 67 71 O 0.11914338320193 0.52659713042846 0.91099258894811 15.999 > 67 72 O 0.61914338320193 0.52659713042846 0.91099258894811 15.999 > 67 73 O 0.13085661679807 0.97340286957154 0.08900741105189 15.999 > 73 74 O 0.63085661679807 0.97340286957154 0.08900741105189 15.999 > 73 75 O 0.13085661679807 0.97340286957154 0.42234074438522 15.999 > 73 76 O 0.63085661679807 0.97340286957154 0.42234074438522 15.999 > 73 77 O 0.13085661679807 0.97340286957154 0.75567407771856 15.999 > 73 78 O 0.63085661679807 0.97340286957154 0.75567407771856 15.999 > 73 79 O 0.38085661679807 0.52659713042846 0.25567407771856 15.999 > 79 80 O 0.88085661679807 0.52659713042846 0.25567407771856 15.999 > 79 81 O 0.38085661679807 0.52659713042846 0.58900741105189 15.999 > 79 82 O 0.88085661679807 0.52659713042846 0.58900741105189 15.999 > 79 83 O 0.38085661679807 0.52659713042846 0.92234074438522 15.999 > 79 84 O 0.88085661679807 0.52659713042846 0.92234074438522 15.999 > 79 85 O 0.41600386817327 0.71811075524781 0.11065382321342 15.999 > 85 86 O 0.91600386817327 0.71811075524781 0.11065382321342 15.999 > 85 87 O 0.41600386817327 0.71811075524781 0.44398715654675 15.999 > 85 88 O 0.91600386817327 0.71811075524781 0.44398715654675 15.999 > 85 89 O 0.41600386817327 0.71811075524781 0.77732048988008 15.999 > 85 90 O 0.91600386817327 0.71811075524781 0.77732048988008 15.999 > 85 91 O 0.16600386817327 0.78188924475219 0.27732048988008 15.999 > 91 92 O 0.66600386817327 0.78188924475219 0.27732048988008 15.999 > 91 93 O 0.16600386817327 0.78188924475219 0.61065382321342 15.999 > 91 94 O 0.66600386817327 0.78188924475219 0.61065382321342 15.999 > 91 95 O 0.16600386817327 0.78188924475219 0.94398715654675 15.999 > 91 96 O 0.66600386817327 0.78188924475219 0.94398715654675 15.999 > 91 97 O 0.33399613182673 0.21811075524781 0.05601284345325 15.999 > 49 98 O 0.83399613182673 0.21811075524781 0.05601284345325 15.999 > 49 99 O 0.33399613182673 0.21811075524781 0.38934617678658 15.999 > 49 100 O 0.83399613182673 0.21811075524781 0.38934617678658 15.999 > 49 101 O 0.33399613182673 0.21811075524781 0.72267951011992 15.999 > 49 102 O 0.83399613182673 0.21811075524781 0.72267951011992 15.999 > 49 103 O 0.08399613182673 0.28188924475219 0.22267951011992 15.999 > 55 104 O 0.58399613182673 0.28188924475219 0.22267951011992 15.999 > 55 105 O 0.08399613182673 0.28188924475219 0.55601284345325 15.999 > 55 106 O 0.58399613182673 0.28188924475219 0.55601284345325 15.999 > 55 107 O 0.08399613182673 0.28188924475219 0.88934617678658 15.999 > 55 108 O 0.58399613182673 0.28188924475219 0.88934617678658 15.999 > 55 109 O 0.11914338320193 0.47340286957154 0.07765925561478 15.999 > 61 110 O 0.61914338320193 0.47340286957154 0.07765925561478 15.999 > 61 111 O 0.11914338320193 0.47340286957154 0.41099258894811 15.999 > 61 112 O 0.61914338320193 0.47340286957154 0.41099258894811 15.999 > 61 113 O 0.11914338320193 0.47340286957154 0.74432592228144 15.999 > 61 114 O 0.61914338320193 0.47340286957154 0.74432592228144 15.999 > 61 115 O 0.36914338320193 0.02659713042846 0.24432592228144 15.999 > 67 116 O 0.86914338320193 0.02659713042846 0.24432592228144 15.999 > 67 117 O 0.36914338320193 0.02659713042846 0.57765925561478 15.999 > 67 118 O 0.86914338320193 0.02659713042846 0.57765925561478 15.999 > 67 119 O 0.36914338320193 0.02659713042846 0.91099258894811 15.999 > 67 120 O 0.86914338320193 0.02659713042846 0.91099258894811 15.999 > 67 121 O 0.38085661679807 0.47340286957154 0.08900741105189 15.999 > 73 122 O 0.88085661679807 0.47340286957154 0.08900741105189 15.999 > 73 123 O 0.38085661679807 0.47340286957154 0.42234074438522 15.999 > 73 124 O 0.88085661679807 0.47340286957154 0.42234074438522 15.999 > 73 125 O 0.38085661679807 0.47340286957154 0.75567407771856 15.999 > 73 126 O 0.88085661679807 0.47340286957154 0.75567407771856 15.999 > 73 127 O 0.13085661679807 0.02659713042846 0.25567407771856 15.999 > 79 128 O 0.63085661679807 0.02659713042846 0.25567407771856 15.999 > 79 129 O 0.13085661679807 0.02659713042846 0.58900741105189 15.999 > 79 130 O 0.63085661679807 0.02659713042846 0.58900741105189 15.999 > 79 131 O 0.13085661679807 0.02659713042846 0.92234074438522 15.999 > 79 132 O 0.63085661679807 0.02659713042846 0.92234074438522 15.999 > 79 133 O 0.16600386817327 0.21811075524781 0.11065382321342 15.999 > 85 134 O 0.66600386817327 0.21811075524781 0.11065382321342 15.999 > 85 135 O 0.16600386817327 0.21811075524781 0.44398715654675 15.999 > 85 136 O 0.66600386817327 0.21811075524781 0.44398715654675 15.999 > 85 137 O 0.16600386817327 0.21811075524781 0.77732048988008 15.999 > 85 138 O 0.66600386817327 0.21811075524781 0.77732048988008 15.999 > 85 139 O 0.41600386817327 0.28188924475219 0.27732048988008 15.999 > 91 140 O 0.91600386817327 0.28188924475219 0.27732048988008 15.999 > 91 141 O 0.41600386817327 0.28188924475219 0.61065382321342 15.999 > 91 142 O 0.91600386817327 0.28188924475219 0.61065382321342 15.999 > 91 143 O 0.41600386817327 0.28188924475219 0.94398715654675 15.999 > 91 144 O 0.91600386817327 0.28188924475219 0.94398715654675 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.4988601 0.0000000 -0.5398915 0.0000000 6.2551432 0.0000000 -0.5399053 0.0000000 6.4416762 -------------------------- Born effective charges -------------------------- 1 Nd 4.4799402 0.0000000 0.1464093 0.0000000 3.7669803 0.0000000 0.7422372 0.0000000 4.3591594 2 Nd 4.4799402 0.0000000 0.1464093 0.0000000 3.7669803 0.0000000 0.7422372 0.0000000 4.3591594 3 Bi 4.8191666 0.0000000 -0.6134601 0.0000000 4.9936361 0.0000000 -1.2345335 0.0000000 4.4481100 4 Bi 4.8191666 0.0000000 -0.6134601 0.0000000 4.9936361 0.0000000 -1.2345335 0.0000000 4.4481100 5 O -2.6053519 -0.2103338 0.1922603 -0.4208549 -2.2816389 0.5905329 0.1251226 0.4734349 -1.7475429 6 O -2.6053519 0.2103338 0.1922603 0.4208549 -2.2816389 -0.5905329 0.1251226 -0.4734349 -1.7475429 7 O -2.0442015 0.1637175 0.0412651 0.2536194 -2.0986692 -0.0361651 0.1210256 -0.2059913 -2.6560918 8 O -2.0442015 -0.1637175 0.0412651 -0.2536194 -2.0986692 0.0361651 0.1210256 0.2059913 -2.6560918 9 O -2.0442015 -0.1637175 0.0412651 -0.2536194 -2.0986692 0.0361651 0.1210256 0.2059913 -2.6560918 10 O -2.0442015 0.1637175 0.0412651 0.2536194 -2.0986692 -0.0361651 0.1210256 -0.2059913 -2.6560918 11 O -2.6053519 0.2103338 0.1922603 0.4208549 -2.2816389 -0.5905329 0.1251226 -0.4734349 -1.7475429 12 O -2.6053519 -0.2103338 0.1922603 -0.4208549 -2.2816389 0.5905329 0.1251226 0.4734349 -1.7475429 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 10 10 12 ] 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: 0.75, Number of G-points: 289, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/337) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.491 ( 0.000 0.000 0.000) 0.000 3.525 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 5.243 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.669 ( 0.000 0.000 0.000) 0.000 6.123 ( 0.000 0.000 0.000) 0.000 6.421 ( 0.000 0.000 0.000) 0.000 7.121 ( 0.000 0.000 0.000) 0.000 7.734 ( 0.000 0.000 0.000) 0.000 8.366 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 9.496 ( 0.000 0.000 0.000) 0.000 10.120 ( 0.000 0.000 0.000) 0.000 10.542 ( 0.000 0.000 0.000) 0.000 10.556 ( 0.000 0.000 0.000) 0.000 11.187 ( 0.000 0.000 0.000) 0.000 12.419 ( 0.000 0.000 0.000) 0.000 12.721 ( 0.000 0.000 0.000) 0.000 13.436 ( 0.000 0.000 0.000) 0.000 14.700 ( 0.000 0.000 0.000) 0.000 15.482 ( 0.000 0.000 0.000) 0.000 16.079 ( 0.000 0.000 0.000) 0.000 16.511 ( 0.000 0.000 0.000) 0.000 16.621 ( 0.000 0.000 0.000) 0.000 17.502 ( 0.000 0.000 0.000) 0.000 17.639 ( 0.000 0.000 0.000) 0.000 18.374 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/337) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 17.597 -13.430 11.315) 24.861 0.523 ( 13.039 -17.907 16.637) 27.704 1.010 ( 42.781 -14.977 23.771) 51.182 2.904 ( 4.516 2.153 -1.718) 5.290 3.084 ( -3.153 -1.341 2.266) 4.108 3.492 ( 0.611 2.368 1.612) 2.929 3.659 ( -4.668 4.880 12.277) 14.012 4.025 ( -9.643 -0.637 -0.346) 9.670 4.492 ( 8.725 6.971 -5.815) 12.591 4.722 ( -6.330 23.941 23.689) 34.269 5.136 ( -6.520 0.997 -0.828) 6.648 5.341 ( 10.810 7.238 -5.100) 13.973 5.645 ( -8.325 -4.287 2.451) 9.680 6.234 ( -12.782 -19.509 -5.430) 23.947 6.470 ( 1.424 -6.539 0.431) 6.707 7.191 ( 21.306 3.560 -21.627) 30.567 7.782 ( 2.864 0.538 4.407) 5.283 8.408 ( -1.108 2.121 3.269) 4.051 8.541 ( -0.578 -4.017 0.591) 4.101 8.990 ( 1.858 -7.702 1.538) 8.071 9.471 ( -1.046 4.621 0.671) 4.785 10.429 ( 11.345 16.350 2.459) 20.052 10.589 ( 3.957 3.565 3.662) 6.463 11.215 ( 1.726 -3.423 -0.033) 3.833 11.664 ( 19.153 -44.022 -58.275) 75.503 12.418 ( 0.161 -3.374 -3.279) 4.708 12.665 ( -4.885 3.130 -1.328) 5.951 14.602 ( -4.652 7.042 -5.181) 9.903 15.280 ( -47.548 50.043 95.289) 117.665 15.491 ( -1.309 -0.637 2.833) 3.186 16.174 ( -17.365 -12.296 10.656) 23.797 16.599 ( -1.663 1.508 -0.510) 2.302 17.004 ( 52.310 30.969 -32.914) 69.129 17.623 ( -5.554 -2.071 2.286) 6.353 17.952 ( 3.005 -41.333 -30.189) 51.272 18.389 ( 1.211 0.292 1.213) 1.739 ======================= Grid point 2 (3/337) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 18.014 -13.602 10.290) 24.807 1.051 ( 12.827 -17.682 17.544) 28.017 1.942 ( 38.700 -11.115 20.385) 45.131 2.908 ( 2.508 5.331 -1.791) 6.157 3.083 ( -3.012 -2.828 2.327) 4.742 3.503 ( 1.262 3.175 1.636) 3.788 3.649 ( -0.002 9.188 -0.260) 9.192 3.893 ( -9.454 -2.255 0.720) 9.746 4.423 ( 5.070 11.689 -7.632) 14.852 4.728 ( 0.808 1.124 4.574) 4.779 5.087 ( -4.469 2.381 8.488) 9.884 5.318 ( 3.278 8.790 -3.127) 9.889 5.577 ( -12.852 -5.928 3.295) 14.532 6.157 ( -7.461 -10.748 -7.445) 15.054 6.566 ( 3.426 -6.089 0.417) 6.999 7.217 ( 10.818 1.874 -8.324) 13.778 7.870 ( 2.324 3.166 6.160) 7.305 8.374 ( 0.201 7.566 0.455) 7.582 8.637 ( -0.038 -6.289 8.283) 10.400 9.146 ( 3.997 -11.306 3.246) 12.423 9.408 ( -1.536 6.670 0.958) 6.911 10.469 ( 4.390 6.393 1.956) 7.998 10.682 ( 8.314 3.858 3.801) 9.922 11.282 ( 2.628 -5.220 -0.906) 5.914 11.668 ( 10.342 -16.155 -22.398) 29.489 12.399 ( -0.913 -5.317 -6.683) 8.589 12.516 ( -8.122 5.261 -1.618) 9.811 14.361 ( -7.226 10.020 -8.120) 14.783 15.248 ( -19.840 18.184 33.064) 42.632 15.529 ( -1.783 1.756 8.527) 8.886 16.163 ( -7.886 -4.894 4.355) 10.252 16.541 ( -2.787 1.772 -1.735) 3.730 17.089 ( 26.953 11.715 -14.785) 32.899 17.580 ( -7.918 -1.594 3.703) 8.885 18.040 ( 6.040 -19.001 -12.611) 23.592 18.423 ( 1.674 0.923 1.977) 2.750 ======================= Grid point 3 (4/337) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 17.928 -13.078 8.319) 23.700 1.577 ( 11.460 -17.217 18.199) 27.549 2.652 ( 25.814 -0.198 11.084) 28.094 2.825 ( -4.258 5.242 -0.591) 6.779 3.110 ( 0.083 -1.851 1.649) 2.481 3.439 ( -0.832 5.755 -6.652) 8.835 3.580 ( 1.464 2.615 2.652) 4.002 3.805 ( -3.069 4.471 -2.414) 5.937 4.335 ( 2.459 3.345 -2.038) 4.625 4.807 ( 5.254 -4.800 -2.393) 7.508 5.149 ( -3.302 2.782 12.299) 13.035 5.222 ( 0.567 10.711 -0.062) 10.726 5.482 ( -12.643 -5.267 2.483) 13.919 6.053 ( -6.554 -9.117 -9.361) 14.618 6.673 ( 4.191 -5.207 0.159) 6.686 7.259 ( 6.372 0.385 -3.487) 7.274 7.893 ( -1.415 6.981 3.722) 8.037 8.333 ( 2.167 4.488 0.094) 4.985 8.808 ( 0.817 -4.687 10.975) 11.962 9.268 ( -1.379 3.120 1.122) 3.591 9.439 ( 5.929 -9.650 4.556) 12.208 10.448 ( -0.956 8.569 1.042) 8.685 10.835 ( 10.645 -2.175 1.448) 10.961 11.342 ( 2.592 -3.218 -2.059) 4.617 11.731 ( 7.998 -5.712 -6.441) 11.751 12.281 ( -8.599 2.154 -5.436) 10.399 12.389 ( -2.461 -3.080 -4.526) 6.002 14.078 ( -7.288 9.832 -7.573) 14.392 15.175 ( -10.929 7.748 11.976) 17.969 15.599 ( -0.435 2.355 9.220) 9.526 16.146 ( -4.853 -2.283 2.442) 5.893 16.456 ( -2.982 1.422 -3.394) 4.736 17.187 ( 17.816 5.185 -8.972) 20.610 17.525 ( -8.014 -0.431 4.465) 9.184 18.152 ( 5.442 -11.680 -6.153) 14.279 18.458 ( 1.432 1.522 2.126) 2.981 ======================= Grid point 4 (5/337) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 16.950 -11.633 5.194) 21.204 2.050 ( 6.409 -13.866 16.738) 22.661 2.631 ( -8.363 6.581 -2.468) 10.924 2.874 ( 5.685 8.629 -2.024) 10.530 3.072 ( -5.733 4.582 -1.075) 7.418 3.377 ( 4.555 1.329 -6.866) 8.346 3.702 ( -1.789 5.996 1.083) 6.350 3.728 ( 10.426 -6.650 4.851) 13.283 4.372 ( 2.219 -1.329 1.717) 3.105 4.876 ( 4.234 -4.098 -4.055) 7.152 5.046 ( -4.973 7.127 -2.301) 8.990 5.305 ( -1.054 4.049 14.136) 14.742 5.404 ( -4.872 -2.307 1.250) 5.533 5.937 ( -5.150 -7.107 -8.758) 12.399 6.765 ( 3.100 -3.615 -0.169) 4.765 7.297 ( 2.837 -0.252 -1.008) 3.021 7.815 ( -2.707 6.474 0.295) 7.024 8.351 ( 2.378 1.565 1.104) 3.053 8.964 ( 1.061 -2.536 7.785) 8.256 9.201 ( -2.067 4.040 -0.444) 4.559 9.717 ( 8.182 -12.982 6.261) 16.573 10.313 ( -4.835 10.923 -2.041) 12.119 11.031 ( 9.617 -7.491 0.442) 12.198 11.346 ( -0.087 3.096 -1.247) 3.339 11.810 ( 5.207 -0.873 -1.316) 5.441 12.086 ( -8.840 3.027 -2.234) 9.607 12.364 ( 0.445 -5.350 -4.220) 6.828 13.846 ( -4.887 6.608 -4.466) 9.354 15.101 ( -5.419 3.142 3.871) 7.364 15.672 ( 0.652 1.468 5.875) 6.091 16.130 ( -2.868 -1.107 1.543) 3.439 16.368 ( -2.031 0.901 -3.527) 4.168 17.272 ( 11.037 2.101 -5.591) 12.549 17.475 ( -6.511 0.011 4.075) 7.681 18.241 ( 3.056 -6.184 -2.764) 7.431 18.482 ( 0.833 1.307 1.498) 2.156 ======================= Grid point 5 (6/337) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 302 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -0.000 0.000 0.000) 0.000 2.194 ( 0.000 -0.000 -0.000) 0.000 2.513 ( 0.000 -0.000 0.000) 0.000 2.826 ( 0.000 -0.000 0.000) 0.000 2.968 ( 0.000 -0.000 0.000) 0.000 3.354 ( 0.000 -0.000 0.000) 0.000 3.675 ( 0.000 -0.000 0.000) 0.000 3.897 ( 0.000 -0.000 0.000) 0.000 4.409 ( 0.000 -0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 4.933 ( 0.000 -0.000 0.000) 0.000 5.330 ( -0.000 0.000 0.000) 0.000 5.432 ( -0.000 -0.000 0.000) 0.000 5.873 ( 0.000 -0.000 0.000) 0.000 6.804 ( 0.000 -0.000 0.000) 0.000 7.313 ( 0.000 -0.000 -0.000) 0.000 7.761 ( 0.000 -0.000 0.000) 0.000 8.370 ( 0.000 -0.000 0.000) 0.000 9.035 ( 0.000 0.000 -0.000) 0.000 9.158 ( 0.000 -0.000 0.000) 0.000 9.939 ( 0.000 -0.000 0.000) 0.000 10.149 ( 0.000 0.000 0.000) 0.000 11.192 ( -0.000 0.000 0.000) 0.000 11.269 ( 0.000 -0.000 0.000) 0.000 11.856 ( 0.000 -0.000 0.000) 0.000 11.978 ( 0.000 -0.000 0.000) 0.000 12.375 ( 0.000 -0.000 0.000) 0.000 13.754 ( 0.000 -0.000 0.000) 0.000 15.070 ( 0.000 -0.000 0.000) 0.000 15.707 ( 0.000 -0.000 0.000) 0.000 16.124 ( 0.000 -0.000 0.000) 0.000 16.326 ( 0.000 -0.000 0.000) 0.000 17.310 ( -0.000 -0.000 0.000) 0.000 17.450 ( 0.000 -0.000 -0.000) 0.000 18.274 ( 0.000 -0.000 0.000) 0.000 18.490 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/337) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 335 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 19.164 -0.000 13.555) 23.473 0.875 ( 15.335 -0.000 20.216) 25.375 1.842 ( 43.333 -0.000 23.365) 49.231 2.976 ( 7.321 -0.000 -2.270) 7.665 3.038 ( -7.031 0.000 2.679) 7.525 3.531 ( 1.201 -0.000 1.218) 1.711 3.764 ( 3.379 -0.000 4.361) 5.517 3.841 ( -13.120 0.000 -2.924) 13.442 4.586 ( 13.307 -0.000 -10.257) 16.801 4.703 ( -14.873 0.000 -0.571) 14.884 5.121 ( -8.643 0.000 13.536) 16.060 5.444 ( 5.165 -0.000 -4.645) 6.947 5.514 ( -14.072 0.000 6.335) 15.432 5.990 ( -2.372 0.000 -9.135) 9.438 6.513 ( 4.535 -0.000 1.618) 4.814 7.232 ( 9.929 -0.000 -9.560) 13.783 7.899 ( 2.628 -0.000 7.713) 8.149 8.475 ( -2.565 0.000 -4.169) 4.895 8.535 ( 1.270 -0.000 13.062) 13.124 9.048 ( 6.800 -0.000 3.841) 7.810 9.472 ( -2.580 0.000 0.388) 2.609 10.561 ( 3.537 -0.000 -1.972) 4.049 10.708 ( 3.231 -0.000 5.780) 6.622 11.240 ( 4.326 -0.000 -1.616) 4.618 11.468 ( 26.879 -0.000 -22.870) 35.292 12.355 ( -3.231 0.000 -2.605) 4.150 12.563 ( -8.712 0.000 -2.169) 8.977 14.458 ( -7.991 0.000 -8.893) 11.955 15.311 ( -11.447 0.000 2.085) 11.636 15.726 ( -37.654 0.000 52.896) 64.929 16.071 ( 2.767 -0.000 -3.687) 4.610 16.556 ( -3.958 0.000 -1.067) 4.099 17.379 ( 35.772 -0.000 -39.358) 53.185 17.441 ( -7.383 0.000 5.979) 9.500 17.794 ( 7.568 -0.000 1.016) 7.636 18.432 ( 1.735 -0.000 2.274) 2.860 ======================= Grid point 13 (8/337) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 18.713 -5.850 11.743) 22.853 1.344 ( 13.819 -7.409 20.536) 25.838 2.636 ( 35.632 -0.798 17.706) 39.797 2.918 ( -8.261 4.286 0.216) 9.309 3.068 ( 4.174 -2.480 -0.118) 4.857 3.525 ( -0.941 2.779 -4.853) 5.671 3.611 ( -10.410 1.213 -1.624) 10.605 3.855 ( 4.571 0.913 -0.688) 4.712 4.448 ( -6.004 8.018 -3.485) 10.605 4.694 ( 9.299 -7.253 -8.705) 14.658 5.177 ( -4.537 0.693 10.916) 11.842 5.388 ( -7.300 5.189 5.250) 10.381 5.436 ( -5.910 1.596 4.279) 7.469 5.869 ( -5.101 -9.292 -11.282) 15.480 6.605 ( 5.128 -2.114 0.695) 5.590 7.261 ( 4.287 -0.018 -2.406) 4.916 7.990 ( -1.425 3.339 7.699) 8.512 8.364 ( -4.201 -0.199 -4.615) 6.244 8.739 ( 3.091 -2.099 13.628) 14.131 9.239 ( 10.457 -2.612 5.045) 11.901 9.416 ( -2.957 1.905 -0.668) 3.580 10.576 ( 3.894 4.820 -0.817) 6.251 10.801 ( 3.238 -1.407 1.843) 3.983 11.290 ( 5.633 -2.027 -3.037) 6.713 11.641 ( 19.350 -3.298 -7.726) 21.095 12.260 ( -5.686 -1.633 -5.221) 7.890 12.399 ( -9.881 1.353 -1.704) 10.117 14.215 ( -8.967 4.698 -8.429) 13.173 15.176 ( -9.301 -2.755 -2.746) 10.081 15.766 ( -16.760 10.172 30.705) 36.430 16.088 ( -0.735 -3.735 -0.460) 3.834 16.474 ( -3.679 0.507 -3.450) 5.068 17.328 ( 14.122 10.163 -10.874) 20.518 17.483 ( 1.887 -5.371 -5.727) 8.075 17.951 ( 6.779 -8.309 0.275) 10.727 18.480 ( 1.276 0.752 2.885) 3.243 ======================= Grid point 14 (9/337) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 17.423 -7.737 8.603) 20.915 1.825 ( 10.796 -10.010 19.908) 24.760 2.735 ( -10.235 4.593 -2.451) 11.483 3.061 ( 7.809 11.895 1.816) 14.345 3.116 ( -2.111 0.739 2.343) 3.239 3.411 ( 3.681 0.906 -5.814) 6.941 3.579 ( 4.241 -8.963 0.324) 9.921 3.815 ( -1.573 5.854 -4.076) 7.304 4.370 ( 0.982 1.224 2.838) 3.243 4.785 ( 8.691 -5.640 -8.008) 13.095 5.142 ( -6.324 3.379 -1.133) 7.259 5.342 ( -9.957 0.542 10.949) 14.809 5.437 ( 2.017 5.981 5.954) 8.677 5.778 ( -4.343 -10.520 -6.144) 12.933 6.696 ( 4.313 -3.439 -0.567) 5.545 7.293 ( 0.603 -0.232 1.670) 1.790 7.946 ( -5.259 7.844 2.092) 9.673 8.300 ( -4.560 -6.378 -1.375) 7.960 8.930 ( 2.902 -0.669 9.120) 9.594 9.294 ( -1.059 5.338 -1.833) 5.742 9.542 ( 11.336 -7.132 6.172) 14.747 10.521 ( -0.130 11.595 -1.889) 11.748 10.899 ( 5.835 -6.908 -0.675) 9.067 11.350 ( 4.443 -2.203 -3.057) 5.826 11.821 ( 9.893 1.793 -0.035) 10.054 12.108 ( -7.648 -0.423 -5.908) 9.673 12.289 ( -3.082 -2.646 -0.292) 4.072 13.967 ( -8.094 6.146 -5.432) 11.524 15.052 ( -6.940 -5.701 -5.569) 10.568 15.799 ( -6.177 9.856 17.724) 21.200 16.098 ( -3.384 -2.636 2.451) 4.941 16.383 ( -1.423 0.636 -4.833) 5.078 17.327 ( 5.920 3.924 -3.598) 7.962 17.472 ( 2.994 -0.439 -5.703) 6.456 18.107 ( 4.634 -7.579 0.638) 8.906 18.514 ( 0.214 1.696 3.004) 3.456 ======================= Grid point 15 (10/337) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 14.696 -7.791 4.137) 17.140 2.206 ( 1.606 -3.825 14.074) 14.672 2.532 ( -6.919 2.727 -1.915) 7.680 2.897 ( -6.809 6.578 -4.207) 10.360 3.041 ( -6.626 7.004 0.254) 9.645 3.371 ( 4.752 1.726 -5.079) 7.166 3.679 ( -5.821 -0.186 -3.808) 6.959 3.816 ( 7.172 -7.361 0.669) 10.299 4.430 ( 2.049 2.029 2.601) 3.884 4.834 ( 2.578 -5.357 -4.782) 7.630 5.002 ( -4.070 3.926 -2.055) 6.017 5.346 ( -2.298 1.367 3.135) 4.121 5.418 ( -1.344 -1.235 -3.743) 4.164 5.853 ( 2.912 -1.976 9.374) 10.013 6.767 ( 2.140 -3.514 -0.356) 4.130 7.312 ( -2.426 -0.113 3.342) 4.131 7.813 ( -4.259 5.523 -1.272) 7.090 8.286 ( -6.549 -8.433 -0.406) 10.685 9.006 ( -1.134 -1.819 -0.087) 2.146 9.230 ( 2.260 5.854 -1.360) 6.421 9.834 ( 10.721 -7.107 5.588) 14.024 10.337 ( -2.316 15.866 -4.735) 16.718 11.066 ( 7.602 -9.480 0.398) 12.159 11.328 ( -5.072 1.749 -2.586) 5.955 11.871 ( 1.752 1.829 0.545) 2.591 11.971 ( -3.641 -0.623 -3.169) 4.867 12.359 ( 4.941 -1.643 3.370) 6.202 13.787 ( -5.435 3.330 -1.429) 6.532 14.970 ( -3.342 -8.997 -7.815) 12.377 15.805 ( -2.476 8.906 7.686) 12.022 16.110 ( -3.242 -1.637 4.741) 5.972 16.331 ( 1.723 0.506 -3.108) 3.590 17.315 ( -4.282 0.531 2.348) 4.912 17.459 ( 7.916 1.034 -8.671) 11.786 18.221 ( 2.138 -4.869 1.492) 5.523 18.521 ( -1.128 2.568 2.628) 3.844 ======================= Grid point 16 (11/337) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -14.655 10.856 -2.511) 18.410 2.239 ( 3.207 4.982 -8.293) 10.192 2.545 ( 2.159 -1.355 3.332) 4.196 2.763 ( -8.463 -3.827 3.395) 9.889 2.987 ( 3.844 -3.231 1.883) 5.363 3.382 ( -2.702 1.495 3.991) 5.047 3.600 ( -0.704 -5.748 -5.423) 7.934 3.811 ( -6.561 3.035 -4.451) 8.490 4.408 ( -2.181 2.503 -1.912) 3.831 4.875 ( -0.234 -7.407 -1.133) 7.497 4.957 ( 0.869 0.830 1.908) 2.255 5.221 ( -3.578 -5.172 -15.781) 16.988 5.478 ( 7.329 5.230 5.551) 10.577 6.027 ( 5.232 3.262 10.709) 12.357 6.798 ( -1.190 -0.314 1.186) 1.709 7.298 ( -5.558 -0.252 3.338) 6.488 7.742 ( -0.542 -1.122 -1.335) 1.826 8.252 ( -7.614 -8.654 -1.599) 11.637 8.958 ( -2.890 -3.401 -6.307) 7.727 9.203 ( 3.440 3.975 -3.183) 6.145 9.976 ( -0.420 11.851 -1.150) 11.914 10.180 ( 5.225 0.125 -1.698) 5.495 11.133 ( -14.038 2.714 -2.922) 14.593 11.258 ( 7.319 -5.769 2.083) 9.550 11.840 ( -4.354 1.909 2.277) 5.271 12.014 ( 8.474 -4.416 -1.762) 9.717 12.459 ( 2.261 4.949 7.230) 9.048 13.753 ( -0.455 -3.650 2.966) 4.725 14.939 ( 0.546 -12.522 -11.565) 17.054 15.754 ( -1.840 8.195 2.709) 8.825 16.141 ( 0.360 0.255 2.700) 2.736 16.354 ( 2.838 -0.668 1.069) 3.105 17.250 ( -10.961 -0.511 4.689) 11.933 17.476 ( 10.305 0.262 -9.390) 13.944 18.285 ( -0.220 -1.168 2.864) 3.101 18.497 ( -2.400 2.992 1.764) 4.221 ======================= Grid point 17 (12/337) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -15.892 15.007 -5.797) 22.613 1.897 ( -11.005 17.906 -14.459) 25.511 2.616 ( -9.511 -4.240 -1.880) 10.582 2.751 ( -0.661 -3.110 2.405) 3.987 3.120 ( 3.445 -1.630 0.565) 3.852 3.364 ( -2.679 -2.475 3.914) 5.350 3.521 ( -7.646 -2.527 -7.470) 10.984 3.739 ( 3.703 -1.866 4.816) 6.355 4.317 ( -4.380 0.481 -2.318) 4.979 4.863 ( -5.271 1.165 -2.029) 5.767 5.021 ( -2.108 -11.400 -5.001) 12.626 5.082 ( 4.316 -4.748 -8.288) 10.481 5.603 ( 11.132 7.855 3.731) 14.126 6.169 ( 5.582 4.317 7.269) 10.130 6.767 ( -3.082 4.595 2.348) 6.010 7.240 ( -9.780 -1.825 3.620) 10.586 7.773 ( 1.946 -5.617 -1.998) 6.272 8.211 ( -6.165 -8.762 -1.724) 10.851 8.851 ( -2.380 -0.869 -9.497) 9.830 9.192 ( 2.409 -2.954 -4.204) 5.675 9.735 ( -2.857 21.783 -3.412) 22.233 10.301 ( 4.337 -7.466 -1.310) 8.733 10.867 ( -16.622 1.061 -3.008) 16.925 11.388 ( 4.166 1.569 2.637) 5.174 11.812 ( -0.928 2.880 3.663) 4.751 12.182 ( 9.292 -7.232 0.175) 11.776 12.509 ( -0.800 8.848 11.523) 14.550 13.896 ( 3.799 -10.235 6.039) 12.476 14.923 ( 3.119 -16.491 -19.611) 25.812 15.692 ( -0.314 9.067 3.107) 9.589 16.174 ( 3.750 1.213 -0.527) 3.977 16.426 ( 2.159 -1.888 2.843) 4.038 17.136 ( -15.146 -1.148 5.376) 16.113 17.521 ( 10.603 -0.597 -8.317) 13.489 18.302 ( -2.242 3.975 5.627) 7.245 18.451 ( -2.655 1.924 0.436) 3.308 ======================= Grid point 18 (13/337) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -15.228 18.178 -7.108) 24.756 1.395 ( -13.604 19.849 -13.437) 27.561 2.203 ( -26.029 16.579 -12.241) 33.200 2.813 ( -2.338 -5.193 2.557) 6.243 3.127 ( 4.482 2.513 -3.582) 6.263 3.413 ( -2.610 -7.333 -4.448) 8.965 3.495 ( 0.352 -6.795 5.261) 8.601 3.895 ( 8.286 -1.862 1.981) 8.721 4.267 ( -5.712 -5.500 2.870) 8.433 4.687 ( -7.995 -2.266 -10.089) 13.071 5.026 ( 2.510 -5.984 -4.519) 7.908 5.169 ( 0.979 -7.917 0.546) 7.996 5.712 ( 10.814 8.921 1.636) 14.114 6.271 ( 5.584 2.994 2.980) 7.002 6.705 ( -1.181 8.476 2.924) 9.044 7.158 ( -13.360 -4.873 5.280) 15.169 7.803 ( 0.201 -3.713 -3.607) 5.180 8.220 ( -2.451 -9.824 -0.630) 10.145 8.709 ( -1.722 1.696 -8.654) 8.985 9.230 ( 1.710 -8.596 -3.448) 9.418 9.479 ( -1.800 21.686 -1.780) 21.833 10.367 ( -0.002 -5.673 -3.016) 6.425 10.616 ( -14.885 -2.592 -3.159) 15.436 11.396 ( 0.433 6.948 0.628) 6.990 11.880 ( 4.948 6.305 12.141) 14.548 12.380 ( 7.385 -9.498 0.550) 12.044 12.553 ( -2.282 11.446 16.201) 19.967 14.138 ( 4.735 -14.525 5.261) 16.158 14.838 ( 3.170 -20.869 -33.659) 39.730 15.661 ( 1.761 10.735 4.948) 11.951 16.214 ( 7.299 1.488 -3.299) 8.146 16.498 ( 0.441 -2.853 2.654) 3.921 16.981 ( -19.482 -2.126 6.417) 20.621 17.580 ( 9.493 -0.723 -6.837) 11.721 18.297 ( -1.996 9.216 10.239) 13.920 18.409 ( -1.822 0.143 -0.694) 1.955 ======================= Grid point 19 (14/337) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -12.218 21.388 -6.736) 25.536 0.886 ( -14.112 20.999 -10.874) 27.538 1.475 ( -23.072 33.250 -12.967) 42.498 2.838 ( -3.661 -5.060 1.785) 6.496 3.126 ( 3.658 3.300 -2.470) 5.511 3.404 ( -1.457 -7.442 -3.594) 8.392 3.570 ( 0.374 -4.040 -2.808) 4.934 4.029 ( 9.425 -0.484 -1.440) 9.547 4.298 ( -6.847 -10.033 1.947) 12.302 4.494 ( -9.509 -5.940 -8.306) 13.954 5.096 ( 3.777 -4.705 0.721) 6.076 5.232 ( -1.659 -6.284 0.015) 6.499 5.766 ( 6.763 8.811 0.038) 11.108 6.343 ( 5.038 0.055 -0.202) 5.042 6.668 ( 5.143 10.716 1.747) 12.014 7.097 ( -15.105 -7.087 9.052) 18.982 7.770 ( -1.359 -0.419 -3.003) 3.323 8.287 ( -0.211 -9.612 -0.221) 9.617 8.606 ( -0.132 1.690 -3.631) 4.007 9.248 ( 1.540 17.267 -1.457) 17.396 9.322 ( -1.544 -8.188 -0.883) 8.379 10.301 ( -8.745 -1.044 -3.390) 9.437 10.486 ( -4.793 -6.887 -2.694) 8.813 11.323 ( -0.623 7.833 -0.438) 7.870 12.135 ( 12.616 6.479 21.910) 26.100 12.532 ( 1.154 -6.259 3.824) 7.425 12.651 ( 0.686 16.209 28.507) 32.800 14.317 ( -0.842 -24.867 -23.235) 34.043 14.595 ( 0.452 -17.544 -36.519) 40.517 15.647 ( 2.420 11.678 3.970) 12.569 16.282 ( 14.810 2.049 -7.760) 16.845 16.542 ( -5.069 -4.218 4.461) 7.962 16.789 ( -22.687 -1.985 7.809) 24.075 17.625 ( 5.375 -0.412 -4.359) 6.932 18.355 ( 2.877 8.686 13.591) 16.384 18.383 ( -0.376 1.204 0.763) 1.474 ======================= Grid point 20 (15/337) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 335 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -0.000 24.437 -0.000) 24.437 0.474 ( -0.000 26.562 -0.000) 26.562 0.840 ( -0.000 46.278 -0.000) 46.278 2.858 ( 0.000 -3.503 0.000) 3.503 3.109 ( -0.000 2.603 -0.000) 2.603 3.426 ( 0.000 -5.923 0.000) 5.923 3.540 ( -0.000 0.397 -0.000) 0.397 4.099 ( 0.000 -0.463 0.000) 0.463 4.241 ( 0.000 -1.973 0.000) 1.973 4.429 ( 0.000 -5.457 0.000) 5.457 5.196 ( 0.000 -5.319 0.000) 5.319 5.242 ( 0.000 -2.462 0.000) 2.462 5.740 ( -0.000 7.298 -0.000) 7.298 6.394 ( 0.000 -2.336 0.000) 2.336 6.692 ( -0.000 4.990 -0.000) 4.990 7.081 ( 0.000 -4.681 0.000) 4.681 7.736 ( -0.000 0.399 -0.000) 0.399 8.375 ( 0.000 -9.624 0.000) 9.624 8.590 ( -0.000 0.746 -0.000) 0.746 9.091 ( -0.000 16.343 -0.000) 16.343 9.398 ( 0.000 -9.995 0.000) 9.995 10.161 ( -0.000 3.816 -0.000) 3.816 10.499 ( 0.000 -5.784 0.000) 5.784 11.250 ( -0.000 6.481 -0.000) 6.481 12.387 ( 0.000 -3.543 0.000) 3.543 12.650 ( 0.000 -7.768 0.000) 7.768 13.388 ( -0.000 2.129 -0.000) 2.129 13.440 ( -0.000 0.386 -0.000) 0.386 14.607 ( 0.000 -9.409 0.000) 9.409 15.590 ( -0.000 10.576 -0.000) 10.576 16.424 ( 0.000 -0.823 0.000) 0.823 16.480 ( 0.000 -2.809 0.000) 2.809 16.647 ( -0.000 2.340 -0.000) 2.340 17.638 ( 0.000 -0.149 0.000) 0.149 18.371 ( 0.000 -0.380 0.000) 0.380 18.507 ( -0.000 0.440 -0.000) 0.440 ======================= Grid point 23 (16/337) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 16.791 -0.000 10.956) 20.049 1.733 ( 13.295 -0.000 20.215) 24.195 2.778 ( -11.339 0.000 -2.796) 11.679 3.118 ( -0.180 0.000 2.581) 2.588 3.234 ( 25.427 -0.000 11.280) 27.817 3.353 ( -10.851 0.000 -5.862) 12.333 3.501 ( -1.637 0.000 -7.087) 7.273 3.873 ( 0.045 -0.000 -6.539) 6.539 4.393 ( -2.598 0.000 3.976) 4.750 4.720 ( 12.642 -0.000 -10.097) 16.179 5.170 ( -6.259 0.000 0.481) 6.278 5.347 ( -10.529 0.000 12.080) 16.024 5.570 ( 3.437 -0.000 13.246) 13.684 5.603 ( -5.802 0.000 -14.008) 15.162 6.663 ( 4.695 -0.000 -0.964) 4.792 7.290 ( -0.229 0.000 2.730) 2.739 8.047 ( -6.194 0.000 7.525) 9.746 8.206 ( -6.860 0.000 -6.493) 9.445 8.928 ( 3.661 -0.000 9.479) 10.162 9.356 ( -2.965 0.000 -2.142) 3.658 9.468 ( 14.219 -0.000 5.631) 15.294 10.656 ( 6.028 -0.000 -1.479) 6.206 10.816 ( 0.334 -0.000 -0.853) 0.916 11.318 ( 5.878 -0.000 -4.411) 7.349 11.844 ( 14.290 -0.000 -0.072) 14.290 12.096 ( -7.550 0.000 -5.786) 9.513 12.268 ( -6.422 0.000 0.507) 6.442 14.028 ( -9.187 0.000 -5.773) 10.851 14.989 ( -6.961 0.000 -7.451) 10.196 15.916 ( -14.051 0.000 26.139) 29.676 16.055 ( 0.551 -0.000 -2.974) 3.024 16.389 ( -1.192 0.000 -5.183) 5.318 17.376 ( -7.753 0.000 5.808) 9.688 17.462 ( 19.236 -0.000 -20.401) 28.040 18.028 ( 4.654 -0.000 4.191) 6.263 18.530 ( 0.077 -0.000 3.449) 3.450 ======================= Grid point 24 (17/337) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 13.555 -3.534 7.674) 15.973 2.136 ( 10.231 -2.560 18.207) 21.041 2.575 ( -10.138 1.440 -4.258) 11.089 2.997 ( -13.860 3.232 -2.938) 14.532 3.183 ( -7.638 7.604 2.044) 10.970 3.402 ( 6.466 1.635 -8.335) 10.675 3.578 ( -2.013 -9.057 0.799) 9.312 3.769 ( 6.746 1.135 -6.489) 9.429 4.465 ( 2.439 1.409 4.755) 5.526 4.750 ( 4.141 -3.275 -8.447) 9.962 5.056 ( -5.893 1.842 -1.890) 6.457 5.352 ( -6.913 -0.650 -9.767) 11.984 5.413 ( 0.510 0.604 7.705) 7.746 5.819 ( 5.560 -1.383 15.468) 16.495 6.712 ( 3.101 -1.961 -1.089) 3.827 7.310 ( -3.772 -0.107 4.922) 6.202 7.941 ( -7.298 8.595 -0.250) 11.278 8.114 ( -7.984 -10.093 -1.320) 12.937 8.985 ( -2.237 -0.530 -1.776) 2.905 9.316 ( 1.441 3.026 -0.548) 3.397 9.739 ( 13.781 -3.102 4.779) 14.912 10.629 ( 2.674 15.775 -2.610) 16.212 10.883 ( 4.935 -11.478 -0.813) 12.520 11.319 ( -1.578 -1.450 -4.444) 4.934 11.912 ( -1.505 2.144 0.458) 2.659 11.958 ( -3.395 -0.745 -4.426) 5.628 12.329 ( 8.207 -1.192 5.647) 10.033 13.845 ( -8.794 2.345 -2.388) 9.409 14.833 ( -4.605 -4.861 -9.557) 11.670 15.958 ( -4.340 7.475 7.481) 11.431 16.061 ( -5.446 -3.996 9.234) 11.441 16.340 ( 2.548 0.312 -4.622) 5.287 17.324 ( -8.121 0.335 4.596) 9.338 17.479 ( 14.164 0.872 -15.977) 21.369 18.144 ( 3.020 -2.783 4.091) 5.797 18.557 ( -1.404 1.134 3.641) 4.064 ======================= Grid point 25 (18/337) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 1.364 -0.895 2.478) 2.967 2.271 ( -1.452 3.436 -2.776) 4.650 2.554 ( 2.944 -0.014 10.166) 10.584 2.742 ( -14.943 0.864 0.012) 14.968 3.005 ( -3.696 5.018 -2.989) 6.912 3.400 ( -8.180 -0.888 -0.223) 8.231 3.500 ( 2.335 -4.445 -4.463) 6.717 3.855 ( 5.088 2.249 -3.090) 6.363 4.453 ( -3.396 2.414 -2.584) 4.903 4.723 ( -1.936 -8.169 -5.600) 10.091 4.988 ( -0.571 1.745 0.867) 2.030 5.134 ( -5.768 -4.165 -15.258) 16.836 5.565 ( 7.460 4.116 9.818) 13.000 6.061 ( 5.510 0.860 12.209) 13.422 6.764 ( 0.273 -2.717 2.478) 3.687 7.291 ( -6.831 -0.427 3.638) 7.751 7.780 ( -4.017 5.105 -2.037) 6.807 8.078 ( -8.555 -10.299 -1.245) 13.446 8.892 ( -4.035 -3.061 -7.390) 8.959 9.282 ( 1.241 3.868 -4.644) 6.170 9.980 ( 10.094 -3.730 2.746) 11.106 10.445 ( 1.115 21.149 -3.907) 21.536 11.069 ( 0.978 -9.467 -0.284) 9.521 11.191 ( -5.575 -2.277 -2.176) 6.403 11.864 ( -5.160 0.781 2.083) 5.618 11.955 ( 7.389 -1.945 -3.230) 8.295 12.528 ( 7.662 2.708 8.702) 11.907 13.718 ( -6.585 -0.656 1.175) 6.721 14.735 ( -1.712 -9.229 -11.521) 14.861 15.893 ( -1.791 6.373 1.185) 6.725 16.141 ( -2.742 -0.202 9.643) 10.027 16.346 ( 3.522 -0.289 -1.781) 3.957 17.247 ( -10.265 0.017 3.920) 10.988 17.484 ( 12.076 0.528 -13.135) 17.850 18.242 ( 1.252 -2.618 3.592) 4.618 18.553 ( -2.847 2.551 3.550) 5.217 ======================= Grid point 26 (19/337) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -12.775 12.074 -5.021) 18.281 2.176 ( -9.050 12.426 -9.234) 17.932 2.524 ( -6.259 -5.170 2.690) 8.552 2.727 ( -1.167 1.218 4.345) 4.661 3.053 ( 4.903 -4.770 5.687) 8.896 3.272 ( -9.028 -8.478 -3.194) 12.790 3.559 ( 2.605 4.524 -1.475) 5.425 3.770 ( -1.465 6.437 0.097) 6.603 4.332 ( -4.344 0.871 -5.356) 6.951 4.749 ( -0.904 -13.513 -3.323) 13.944 4.907 ( -7.730 -2.339 -12.532) 14.909 5.009 ( 2.463 -2.490 -2.561) 4.339 5.738 ( 9.925 6.852 7.460) 14.181 6.218 ( 4.446 1.571 5.679) 7.381 6.812 ( -3.985 0.228 8.001) 8.941 7.205 ( -9.841 -1.438 -0.007) 9.946 7.719 ( 1.160 -0.265 -1.450) 1.875 8.042 ( -7.023 -9.849 -1.644) 12.208 8.788 ( -2.744 -4.825 -8.783) 10.390 9.183 ( -0.881 1.123 -8.060) 8.186 10.102 ( 3.230 9.014 0.688) 9.600 10.249 ( 3.126 11.108 -3.830) 12.158 10.869 ( -18.113 -0.602 -3.822) 18.521 11.368 ( 9.863 -5.039 3.705) 11.679 11.831 ( -1.701 -0.083 1.460) 2.243 12.068 ( 8.269 -4.971 -2.260) 9.909 12.669 ( 2.860 8.598 12.799) 15.682 13.729 ( -1.947 -8.341 4.075) 9.486 14.668 ( 0.046 -11.507 -15.530) 19.328 15.845 ( 0.918 7.290 2.478) 7.754 16.196 ( 0.825 1.455 3.639) 4.005 16.393 ( 1.788 -1.812 1.476) 2.942 17.130 ( -12.541 0.181 3.054) 12.908 17.510 ( 11.432 -0.511 -10.409) 15.469 18.306 ( -0.133 -1.652 3.212) 3.614 18.517 ( -3.751 4.022 3.605) 6.576 ======================= Grid point 27 (20/337) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -12.508 16.884 -5.631) 21.754 1.738 ( -15.204 18.666 -9.520) 25.889 2.436 ( -10.945 7.492 -2.166) 13.440 2.733 ( -4.475 -3.445 2.072) 6.015 3.148 ( 1.770 -3.586 -3.123) 5.074 3.289 ( 1.541 -4.778 -1.875) 5.359 3.451 ( -1.170 4.829 2.975) 5.791 3.850 ( 5.004 -2.359 6.020) 8.176 4.215 ( -4.606 -1.047 -3.575) 5.924 4.660 ( -8.711 -1.008 -12.061) 14.912 4.844 ( 1.024 -14.219 -3.696) 14.727 5.052 ( 1.480 -5.604 -1.159) 5.911 5.871 ( 9.018 8.538 4.787) 13.309 6.297 ( 3.822 0.503 0.383) 3.874 6.831 ( -5.946 4.315 11.216) 13.408 7.064 ( -10.851 -4.013 -3.159) 11.993 7.755 ( 3.424 -1.746 -1.372) 4.081 8.037 ( -4.351 -10.462 -0.804) 11.359 8.697 ( -1.572 -2.862 -8.396) 9.009 9.093 ( -1.807 -5.691 -6.733) 8.999 9.920 ( 0.464 26.279 -0.934) 26.300 10.268 ( 2.304 -4.892 -2.614) 6.007 10.591 ( -16.647 -0.630 -3.168) 16.958 11.508 ( 3.967 4.916 2.158) 6.676 11.895 ( 6.249 -3.957 3.350) 8.120 12.206 ( 5.754 -9.052 -1.515) 10.833 12.771 ( 0.300 12.352 19.245) 22.870 13.872 ( 0.556 -14.859 2.100) 15.017 14.561 ( -0.300 -10.933 -21.311) 23.954 15.844 ( 3.444 9.228 4.464) 10.814 16.232 ( 4.169 0.912 -0.786) 4.339 16.446 ( -0.956 -2.904 2.780) 4.133 16.973 ( -14.192 0.523 2.086) 14.354 17.564 ( 10.100 -0.973 -7.606) 12.681 18.344 ( -0.668 -1.089 2.408) 2.726 18.474 ( -3.008 5.012 4.747) 7.531 ======================= Grid point 28 (21/337) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -10.461 20.561 -5.251) 23.659 1.271 ( -11.711 22.229 -6.528) 25.959 2.050 ( -11.414 29.047 -5.376) 31.669 2.733 ( -4.382 -6.541 1.534) 8.022 3.182 ( 4.361 -2.506 -2.853) 5.783 3.274 ( -0.553 -0.759 -2.873) 3.023 3.515 ( 0.540 -2.310 3.048) 3.862 4.003 ( 7.643 -2.655 0.495) 8.106 4.162 ( -5.883 -5.278 1.672) 8.079 4.433 ( -7.837 -1.333 -7.924) 11.224 4.946 ( 1.757 -12.159 -1.994) 12.446 5.115 ( 0.374 -7.071 -0.218) 7.084 5.932 ( 5.429 9.379 2.095) 11.038 6.334 ( 2.986 -0.614 -1.587) 3.437 6.834 ( -1.749 7.804 7.590) 11.026 6.944 ( -9.622 -8.932 -1.451) 13.209 7.776 ( 1.170 1.130 -1.203) 2.023 8.095 ( -1.225 -11.852 -0.157) 11.916 8.613 ( -1.038 -0.541 -4.945) 5.081 9.095 ( -1.121 -11.885 -3.345) 12.398 9.684 ( 0.436 26.384 -0.328) 26.390 10.288 ( -1.635 -2.326 -2.306) 3.661 10.388 ( -8.714 -2.967 -1.966) 9.413 11.472 ( 0.138 8.728 -0.036) 8.729 12.121 ( 10.504 -5.545 5.726) 13.186 12.339 ( 1.446 -12.570 -0.904) 12.685 12.943 ( 2.829 13.851 31.281) 34.328 13.935 ( -4.728 -17.339 -21.155) 27.759 14.405 ( 0.083 -7.235 -13.918) 15.686 15.856 ( 3.376 11.274 4.059) 12.449 16.292 ( 9.801 -0.334 -4.396) 10.747 16.472 ( -6.347 -3.616 4.689) 8.680 16.794 ( -12.214 1.333 0.998) 12.327 17.615 ( 5.873 -0.645 -4.373) 7.350 18.360 ( -0.705 -1.077 0.295) 1.320 18.477 ( 0.153 3.909 6.521) 7.604 ======================= Grid point 29 (22/337) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -0.000 23.787 -0.000) 23.787 0.934 ( -0.000 25.297 -0.000) 25.297 1.610 ( -0.000 39.921 -0.000) 39.921 2.769 ( 0.000 -6.335 0.000) 6.335 3.186 ( -0.000 6.445 -0.000) 6.445 3.289 ( 0.000 -9.648 0.000) 9.648 3.538 ( 0.000 -0.471 0.000) 0.471 4.088 ( 0.000 -0.718 0.000) 0.718 4.169 ( 0.000 -6.418 0.000) 6.418 4.343 ( 0.000 -2.904 0.000) 2.904 5.054 ( 0.000 -10.678 0.000) 10.678 5.173 ( 0.000 -5.531 0.000) 5.531 5.897 ( -0.000 9.683 -0.000) 9.683 6.357 ( 0.000 -1.631 0.000) 1.631 6.803 ( -0.000 7.368 -0.000) 7.368 6.952 ( 0.000 -9.686 0.000) 9.686 7.757 ( -0.000 2.034 -0.000) 2.034 8.191 ( 0.000 -11.318 0.000) 11.318 8.584 ( 0.000 -0.770 0.000) 0.770 9.183 ( 0.000 -13.371 0.000) 13.371 9.460 ( -0.000 24.447 -0.000) 24.447 10.226 ( -0.000 2.979 -0.000) 2.979 10.382 ( 0.000 -6.639 0.000) 6.639 11.391 ( -0.000 8.937 -0.000) 8.937 12.303 ( 0.000 -5.645 0.000) 5.645 12.457 ( 0.000 -13.797 0.000) 13.797 13.428 ( -0.000 2.064 -0.000) 2.064 13.446 ( -0.000 0.245 -0.000) 0.245 14.431 ( 0.000 -9.457 0.000) 9.457 15.801 ( -0.000 12.336 -0.000) 12.336 16.403 ( 0.000 -1.477 0.000) 1.477 16.427 ( 0.000 -3.059 0.000) 3.059 16.689 ( -0.000 2.297 -0.000) 2.297 17.634 ( 0.000 -0.294 0.000) 0.294 18.361 ( 0.000 -0.693 0.000) 0.693 18.518 ( -0.000 0.709 -0.000) 0.709 ======================= Grid point 34 (23/337) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 335 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 8.457 -0.000 4.702) 9.677 2.311 ( -6.186 0.000 -2.875) 6.821 2.548 ( 6.573 -0.000 14.661) 16.067 2.756 ( -18.486 0.000 -1.625) 18.557 3.081 ( -7.065 0.000 -4.873) 8.582 3.356 ( -15.042 0.000 -5.597) 16.050 3.473 ( 7.911 -0.000 0.524) 7.928 3.881 ( 11.486 -0.000 -2.535) 11.762 4.481 ( -4.159 0.000 -2.238) 4.723 4.636 ( -3.589 0.000 -8.717) 9.427 5.007 ( -2.050 0.000 1.466) 2.521 5.092 ( -5.780 0.000 -15.474) 16.518 5.605 ( 7.270 -0.000 11.327) 13.459 6.067 ( 5.776 -0.000 12.877) 14.113 6.734 ( 0.695 -0.000 2.655) 2.744 7.287 ( -6.922 0.000 3.524) 7.767 7.901 ( -3.955 0.000 -4.914) 6.308 7.912 ( -10.009 0.000 1.783) 10.166 8.864 ( -4.516 0.000 -8.108) 9.281 9.319 ( -0.051 0.000 -4.909) 4.909 9.943 ( 11.517 -0.000 2.293) 11.743 10.751 ( -1.024 0.000 -3.240) 3.398 10.875 ( 9.861 -0.000 1.845) 10.032 11.166 ( -10.356 0.000 -4.971) 11.488 11.871 ( -5.332 0.000 2.247) 5.786 11.939 ( 6.320 -0.000 -3.518) 7.233 12.552 ( 10.376 -0.000 9.191) 13.862 13.715 ( -9.567 0.000 0.234) 9.570 14.648 ( -1.929 0.000 -10.814) 10.985 15.953 ( -1.214 0.000 -2.245) 2.552 16.138 ( -4.671 0.000 14.983) 15.695 16.343 ( 3.799 -0.000 -3.188) 4.959 17.248 ( -10.009 0.000 3.679) 10.663 17.490 ( 12.624 -0.000 -14.721) 19.392 18.216 ( 1.739 -0.000 4.305) 4.643 18.576 ( -2.900 0.000 3.937) 4.890 ======================= Grid point 35 (24/337) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -8.620 6.313 -5.322) 11.937 2.275 ( 0.328 -0.886 -1.490) 1.764 2.487 ( -16.462 0.942 2.082) 16.619 2.802 ( 1.365 5.907 9.725) 11.460 2.978 ( 2.299 -3.430 1.149) 4.286 3.116 ( -12.737 -7.073 -6.287) 15.868 3.603 ( 6.450 0.829 4.549) 7.936 3.940 ( 4.486 9.149 -2.410) 10.471 4.346 ( -4.840 0.826 -6.701) 8.307 4.513 ( -5.417 -10.686 -7.113) 13.933 4.858 ( -4.558 -2.085 -15.167) 15.974 4.996 ( -2.502 0.117 0.889) 2.658 5.827 ( 9.185 2.816 9.225) 13.319 6.234 ( 3.928 0.354 4.921) 6.307 6.792 ( -6.351 -1.392 12.024) 13.669 7.199 ( -5.751 0.237 -3.063) 6.521 7.758 ( -3.612 4.237 -1.022) 5.661 7.880 ( -4.608 -7.856 -1.650) 9.256 8.720 ( -2.788 -2.218 -9.186) 9.852 9.205 ( -3.186 0.839 -9.558) 10.110 10.092 ( 7.204 -1.598 0.032) 7.379 10.604 ( -0.447 17.760 -2.533) 17.945 10.851 ( -17.047 -1.459 -3.252) 17.416 11.208 ( 12.807 -10.292 2.400) 16.605 11.836 ( -3.168 0.633 1.804) 3.700 12.010 ( 7.681 -1.693 -3.439) 8.584 12.787 ( 7.952 3.903 12.316) 15.171 13.617 ( -8.050 -3.635 2.534) 9.189 14.530 ( 0.180 -3.977 -11.901) 12.549 15.932 ( 2.272 2.445 -0.106) 3.339 16.223 ( -2.550 1.154 8.926) 9.355 16.366 ( 2.223 -0.991 -0.759) 2.549 17.135 ( -11.205 0.178 1.990) 11.382 17.504 ( 11.657 -0.161 -11.596) 16.443 18.280 ( 0.501 -0.933 3.366) 3.529 18.567 ( -3.884 1.458 3.936) 5.719 ======================= Grid point 36 (25/337) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -9.154 12.734 -4.901) 16.430 2.029 ( -15.254 12.983 -4.863) 20.613 2.459 ( -2.408 -3.076 3.987) 5.582 2.711 ( -7.460 1.194 -0.943) 7.613 3.006 ( -5.432 -9.803 -5.840) 12.638 3.210 ( 7.847 -4.136 9.815) 13.230 3.669 ( 2.719 13.167 -0.053) 13.445 3.852 ( 1.286 5.671 3.458) 6.766 4.211 ( -3.331 0.261 -6.599) 7.396 4.547 ( -0.552 -18.662 -4.710) 19.255 4.646 ( -5.765 -0.693 -12.368) 13.663 4.966 ( -2.748 -3.858 -1.609) 5.003 5.998 ( 7.862 5.430 6.342) 11.468 6.299 ( 3.423 -0.086 -0.934) 3.549 6.812 ( -20.088 -4.284 17.560) 27.023 7.086 ( 3.548 4.823 -8.821) 10.661 7.724 ( 1.114 -2.558 -0.653) 2.866 7.879 ( -3.003 -6.112 -0.659) 6.842 8.630 ( -0.158 -3.735 -7.818) 8.666 9.034 ( -5.160 -1.484 -9.401) 10.826 10.173 ( 3.562 -1.860 -1.136) 4.176 10.395 ( -0.595 21.880 -1.550) 21.943 10.584 ( -16.023 -0.217 -3.251) 16.350 11.507 ( 11.161 -6.873 4.181) 13.758 11.815 ( -0.319 -1.725 -0.556) 1.840 12.087 ( 4.921 -4.576 -3.176) 7.432 12.971 ( 4.420 9.701 16.426) 19.582 13.635 ( -3.792 -11.270 2.166) 12.086 14.429 ( 0.276 -4.513 -13.861) 14.580 15.970 ( 5.830 4.793 2.234) 7.871 16.254 ( -0.092 1.540 2.754) 3.157 16.399 ( -1.155 -2.340 2.125) 3.365 16.985 ( -11.730 0.636 0.065) 11.748 17.549 ( 10.435 -0.629 -7.956) 13.137 18.321 ( -0.302 -1.129 2.117) 2.418 18.540 ( -3.654 2.462 3.949) 5.917 ======================= Grid point 37 (26/337) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -7.903 18.264 -3.749) 20.250 1.648 ( -10.160 19.700 -3.645) 22.463 2.427 ( -3.508 12.145 1.573) 12.739 2.620 ( -5.533 -5.339 -1.231) 7.787 2.995 ( -2.414 -12.938 -3.403) 13.594 3.407 ( 8.640 4.364 2.142) 9.914 3.537 ( -1.604 11.307 2.219) 11.633 3.946 ( 3.200 -2.783 4.249) 6.003 4.113 ( -2.653 -0.913 -3.431) 4.432 4.436 ( -5.758 1.402 -8.057) 10.002 4.679 ( 0.945 -17.829 -2.626) 18.046 4.975 ( -1.247 -8.588 -1.337) 8.780 6.081 ( 4.429 7.213 3.122) 9.022 6.326 ( 3.306 -0.332 -2.380) 4.087 6.747 ( -18.354 -9.385 9.708) 22.786 7.014 ( 5.359 9.458 -4.200) 11.654 7.789 ( 3.926 -1.896 -0.251) 4.367 7.891 ( -3.307 -8.866 -0.129) 9.464 8.591 ( 0.692 -1.872 -4.875) 5.268 8.918 ( -4.019 -7.492 -5.080) 9.904 10.152 ( 0.891 23.469 -0.099) 23.486 10.228 ( 0.209 -1.253 -1.802) 2.205 10.373 ( -9.801 0.122 -1.884) 9.981 11.619 ( 1.541 7.210 1.290) 7.485 11.940 ( 7.149 -14.149 1.249) 15.901 12.153 ( 1.060 -7.683 -2.068) 8.027 13.146 ( 3.551 9.563 22.090) 24.332 13.683 ( -3.266 -11.798 -8.859) 15.111 14.312 ( -0.201 -3.510 -10.813) 11.370 16.030 ( 5.268 8.144 3.125) 10.191 16.283 ( 5.544 -0.480 -2.069) 5.937 16.414 ( -5.862 -2.874 4.450) 7.901 16.819 ( -9.221 1.222 -1.418) 9.409 17.604 ( 6.361 -0.572 -4.242) 7.667 18.341 ( -0.474 -0.989 0.732) 1.319 18.526 ( -1.649 1.888 3.507) 4.311 ======================= Grid point 38 (27/337) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 335 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -0.000 21.974 -0.000) 21.974 1.363 ( -0.000 22.989 -0.000) 22.989 2.212 ( -0.000 27.010 -0.000) 27.010 2.641 ( 0.000 -7.994 0.000) 7.994 3.084 ( 0.000 -13.481 0.000) 13.481 3.360 ( -0.000 13.999 -0.000) 13.999 3.528 ( 0.000 -0.698 0.000) 0.698 4.046 ( 0.000 -6.289 0.000) 6.289 4.075 ( 0.000 -0.689 0.000) 0.689 4.329 ( -0.000 0.943 -0.000) 0.943 4.820 ( 0.000 -15.732 0.000) 15.732 5.043 ( 0.000 -9.122 0.000) 9.122 6.060 ( -0.000 8.445 -0.000) 8.445 6.339 ( 0.000 -0.430 0.000) 0.430 6.759 ( 0.000 -11.307 0.000) 11.307 6.949 ( -0.000 9.158 -0.000) 9.158 7.803 ( -0.000 2.936 -0.000) 2.936 7.973 ( 0.000 -13.139 0.000) 13.139 8.573 ( 0.000 -0.429 0.000) 0.429 8.954 ( 0.000 -11.922 0.000) 11.922 9.923 ( -0.000 26.954 -0.000) 26.954 10.245 ( 0.000 -2.118 0.000) 2.118 10.296 ( 0.000 -1.555 0.000) 1.555 11.553 ( -0.000 9.156 -0.000) 9.156 12.174 ( 0.000 -17.799 0.000) 17.799 12.195 ( 0.000 -6.447 0.000) 6.447 13.447 ( 0.000 -0.072 0.000) 0.072 13.454 ( -0.000 0.819 -0.000) 0.819 14.294 ( 0.000 -5.868 0.000) 5.868 16.005 ( -0.000 10.386 -0.000) 10.386 16.373 ( 0.000 -2.011 0.000) 2.011 16.377 ( 0.000 -2.429 0.000) 2.429 16.725 ( -0.000 1.660 -0.000) 1.660 17.628 ( 0.000 -0.353 0.000) 0.353 18.348 ( 0.000 -0.804 0.000) 0.804 18.531 ( -0.000 0.712 -0.000) 0.712 ======================= Grid point 45 (28/337) ======================= q-point: ( 0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -7.037 0.000 -4.671) 8.446 2.146 ( -14.165 0.000 -1.761) 14.274 2.416 ( -1.081 0.000 5.055) 5.169 2.748 ( -15.567 0.000 -3.164) 15.886 2.882 ( -0.437 0.000 -6.319) 6.334 3.169 ( 8.389 -0.000 12.096) 14.720 3.750 ( 5.232 -0.000 6.017) 7.973 4.056 ( 5.097 -0.000 -0.594) 5.132 4.215 ( -2.568 0.000 -7.246) 7.687 4.270 ( -6.845 0.000 -7.094) 9.858 4.639 ( -3.144 0.000 -12.625) 13.010 4.929 ( -5.929 0.000 -1.817) 6.201 6.049 ( 7.506 -0.000 6.850) 10.162 6.298 ( 3.400 -0.000 -1.402) 3.677 6.765 ( -22.246 0.000 16.560) 27.733 7.142 ( 7.306 -0.000 -7.176) 10.241 7.684 ( -5.237 0.000 -1.388) 5.418 7.833 ( 1.522 -0.000 0.077) 1.524 8.593 ( 0.296 -0.000 -7.727) 7.732 9.023 ( -6.323 0.000 -10.238) 12.033 10.151 ( 3.779 -0.000 -1.376) 4.022 10.576 ( -16.273 0.000 -2.381) 16.446 10.642 ( -1.783 0.000 -1.893) 2.600 11.388 ( 14.321 -0.000 3.265) 14.688 11.820 ( -2.095 0.000 0.676) 2.202 12.043 ( 4.707 -0.000 -4.424) 6.460 13.072 ( 7.940 -0.000 14.366) 16.414 13.519 ( -7.277 0.000 3.145) 7.928 14.390 ( 0.675 -0.000 -11.603) 11.623 16.012 ( 7.274 -0.000 0.778) 7.315 16.273 ( -2.907 0.000 5.439) 6.167 16.374 ( -0.528 0.000 1.023) 1.151 16.991 ( -11.025 0.000 -0.534) 11.038 17.544 ( 10.540 -0.000 -8.077) 13.279 18.310 ( -0.142 0.000 2.278) 2.283 18.562 ( -3.907 0.000 3.519) 5.258 ======================= Grid point 47 (29/337) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -5.584 10.063 -2.732) 11.828 1.919 ( -9.663 8.836 -1.223) 13.151 2.486 ( -1.667 0.482 5.199) 5.481 2.571 ( -4.264 -3.910 -1.369) 5.945 2.806 ( -3.380 -5.832 -7.053) 9.756 3.402 ( 6.110 -1.080 8.636) 10.634 3.845 ( 3.615 11.238 2.789) 12.130 3.959 ( -0.244 11.183 0.524) 11.198 4.108 ( -1.602 0.036 -5.476) 5.706 4.322 ( 0.632 -21.681 -2.669) 21.854 4.476 ( -3.005 2.014 -7.383) 8.222 4.839 ( -4.795 -5.331 -2.634) 7.639 6.176 ( 4.075 3.056 3.554) 6.211 6.321 ( 4.207 -0.194 -3.105) 5.233 6.622 ( -19.002 -4.007 8.649) 21.259 7.168 ( 5.802 6.443 -2.223) 8.951 7.656 ( -1.148 -7.327 -0.872) 7.468 7.855 ( 0.747 0.467 0.502) 1.014 8.558 ( 2.975 -1.368 -4.127) 5.268 8.836 ( -6.816 -2.091 -6.611) 9.723 10.174 ( 1.349 -1.309 -1.272) 2.270 10.373 ( -9.636 0.079 -1.287) 9.722 10.542 ( -0.662 14.047 -0.870) 14.090 11.630 ( 9.088 -7.512 3.374) 12.264 11.789 ( -1.039 1.189 -1.100) 1.924 12.051 ( 1.155 -3.772 -3.295) 5.140 13.290 ( 4.559 6.410 13.814) 15.897 13.510 ( -3.048 -7.223 0.279) 7.845 14.273 ( -0.279 -1.014 -9.706) 9.763 16.132 ( 9.621 3.098 0.702) 10.131 16.280 ( -0.328 0.111 1.167) 1.218 16.373 ( -5.149 -1.532 3.999) 6.697 16.834 ( -8.275 0.451 -2.391) 8.625 17.597 ( 6.643 -0.229 -4.133) 7.827 18.328 ( -0.312 -0.406 1.056) 1.174 18.547 ( -2.429 0.600 2.350) 3.433 ======================= Grid point 48 (30/337) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -0.000 16.965 -0.000) 16.965 1.726 ( -0.000 16.892 -0.000) 16.892 2.504 ( 0.000 -6.457 0.000) 6.457 2.544 ( -0.000 10.989 -0.000) 10.989 2.824 ( 0.000 -15.044 0.000) 15.044 3.511 ( 0.000 -1.089 0.000) 1.089 3.687 ( -0.000 22.206 -0.000) 22.206 3.970 ( 0.000 -2.314 0.000) 2.314 4.065 ( 0.000 -0.416 0.000) 0.416 4.374 ( -0.000 3.929 -0.000) 3.929 4.502 ( 0.000 -20.073 0.000) 20.073 4.864 ( 0.000 -10.189 0.000) 10.189 6.185 ( -0.000 5.441 -0.000) 5.441 6.338 ( -0.000 0.109 -0.000) 0.109 6.583 ( 0.000 -7.914 0.000) 7.914 7.120 ( -0.000 9.709 -0.000) 9.709 7.741 ( 0.000 -12.392 0.000) 12.392 7.850 ( -0.000 2.078 -0.000) 2.078 8.569 ( 0.000 -0.093 0.000) 0.093 8.782 ( 0.000 -6.989 0.000) 6.989 10.191 ( 0.000 -2.493 0.000) 2.493 10.296 ( -0.000 0.292 -0.000) 0.292 10.371 ( -0.000 22.000 -0.000) 22.000 11.705 ( -0.000 7.646 -0.000) 7.646 11.856 ( 0.000 -16.783 0.000) 16.783 12.081 ( 0.000 -6.085 0.000) 6.085 13.445 ( 0.000 -0.153 0.000) 0.153 13.460 ( 0.000 -0.007 0.000) 0.007 14.222 ( 0.000 -2.402 0.000) 2.402 16.162 ( -0.000 7.286 -0.000) 7.286 16.331 ( 0.000 -2.794 0.000) 2.794 16.343 ( 0.000 -1.330 0.000) 1.330 16.747 ( -0.000 0.850 -0.000) 0.850 17.622 ( 0.000 -0.245 0.000) 0.245 18.335 ( 0.000 -0.560 0.000) 0.560 18.541 ( -0.000 0.443 -0.000) 0.443 ======================= Grid point 58 (31/337) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -0.000 0.000 -0.000) 0.000 1.885 ( 0.000 -0.000 0.000) 0.000 2.457 ( 0.000 -0.000 0.000) 0.000 2.634 ( 0.000 -0.000 0.000) 0.000 2.643 ( 0.000 -0.000 0.000) 0.000 3.499 ( 0.000 -0.000 0.000) 0.000 3.952 ( 0.000 -0.000 0.000) 0.000 4.050 ( -0.000 0.000 -0.000) 0.000 4.061 ( 0.000 -0.000 0.000) 0.000 4.166 ( 0.000 -0.000 0.000) 0.000 4.429 ( 0.000 -0.000 0.000) 0.000 4.749 ( 0.000 -0.000 0.000) 0.000 6.239 ( 0.000 -0.000 0.000) 0.000 6.339 ( 0.000 -0.000 0.000) 0.000 6.506 ( 0.000 -0.000 0.000) 0.000 7.235 ( 0.000 -0.000 0.000) 0.000 7.602 ( 0.000 -0.000 0.000) 0.000 7.869 ( 0.000 -0.000 0.000) 0.000 8.568 ( 0.000 -0.000 0.000) 0.000 8.719 ( 0.000 -0.000 0.000) 0.000 10.169 ( 0.000 -0.000 0.000) 0.000 10.299 ( 0.000 -0.000 0.000) 0.000 10.597 ( 0.000 -0.000 0.000) 0.000 11.677 ( 0.000 -0.000 0.000) 0.000 11.789 ( 0.000 -0.000 0.000) 0.000 12.012 ( 0.000 -0.000 0.000) 0.000 13.443 ( 0.000 -0.000 0.000) 0.000 13.459 ( 0.000 -0.000 0.000) 0.000 14.202 ( 0.000 -0.000 0.000) 0.000 16.255 ( 0.000 -0.000 0.000) 0.000 16.278 ( -0.000 0.000 -0.000) 0.000 16.332 ( 0.000 -0.000 0.000) 0.000 16.754 ( 0.000 -0.000 0.000) 0.000 17.620 ( 0.000 -0.000 0.000) 0.000 18.330 ( 0.000 -0.000 0.000) 0.000 18.545 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/337) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -3.264 0.000 24.217) 24.436 0.581 ( 10.123 -0.000 27.690) 29.482 0.996 ( -11.234 0.000 46.880) 48.207 2.864 ( -0.488 0.000 -2.271) 2.323 3.134 ( 1.297 -0.000 4.348) 4.537 3.499 ( 1.264 -0.000 1.016) 1.622 3.852 ( -9.327 0.000 -4.427) 10.324 4.025 ( 5.820 -0.000 -6.844) 8.984 4.411 ( -4.225 0.000 -6.903) 8.093 4.597 ( 32.571 -0.000 4.742) 32.914 5.201 ( 2.456 -0.000 -3.192) 4.027 5.668 ( -7.774 0.000 4.340) 8.903 5.710 ( 0.869 -0.000 3.540) 3.645 6.057 ( -2.316 0.000 -5.966) 6.400 6.589 ( -12.145 0.000 15.048) 19.337 7.781 ( 3.289 -0.000 4.297) 5.411 8.002 ( -99.336 0.000 4.298) 99.429 8.492 ( -2.959 0.000 -3.827) 4.838 8.497 ( 0.690 -0.000 12.269) 12.288 8.960 ( 0.277 -0.000 2.757) 2.771 9.497 ( 0.932 -0.000 0.014) 0.932 10.337 ( 44.162 -0.000 3.138) 44.273 10.516 ( 0.010 -0.000 -2.395) 2.395 10.713 ( -1.899 0.000 7.417) 7.656 11.211 ( -2.408 0.000 2.164) 3.237 12.417 ( -1.268 0.000 -0.214) 1.286 12.724 ( -2.442 0.000 0.356) 2.467 14.608 ( -1.244 0.000 -8.920) 9.006 15.418 ( 33.708 -0.000 -3.416) 33.881 15.555 ( 62.262 -0.000 3.291) 62.349 16.012 ( 2.161 -0.000 -5.857) 6.243 16.619 ( -0.114 0.000 -1.155) 1.160 17.459 ( 9.597 -0.000 -2.566) 9.934 17.588 ( -73.747 0.000 -2.435) 73.787 17.703 ( -5.417 0.000 4.910) 7.311 18.411 ( -3.229 0.000 3.218) 4.558 ======================= Grid point 106 (33/337) ======================= q-point: ( 0.10 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 7.387 -7.922 20.912) 23.551 1.035 ( 6.584 -6.305 26.730) 28.242 1.640 ( 23.534 -8.008 34.213) 42.291 2.856 ( 4.478 1.905 -2.676) 5.554 3.183 ( -5.284 -1.276 6.959) 8.830 3.527 ( 0.665 1.544 1.733) 2.414 3.690 ( 0.057 6.635 -6.039) 8.972 3.972 ( -6.523 -3.586 -4.451) 8.673 4.295 ( 7.581 5.786 -12.286) 15.553 4.753 ( 1.310 1.569 -5.116) 5.509 5.249 ( 8.818 6.504 0.112) 10.958 5.485 ( -18.920 9.256 15.760) 26.306 5.729 ( -6.518 -1.390 5.323) 8.530 6.010 ( -3.352 -14.462 -12.241) 19.241 6.596 ( -9.198 -0.825 13.204) 16.113 7.419 ( -26.301 2.858 23.221) 35.201 7.903 ( 5.152 1.946 6.860) 8.798 8.407 ( 1.053 5.384 -5.375) 7.681 8.689 ( -0.412 -4.462 14.596) 15.268 9.055 ( 2.286 -7.182 5.001) 9.045 9.478 ( -0.840 3.860 -0.272) 3.959 10.449 ( 7.295 7.921 0.147) 10.770 10.742 ( 0.823 5.345 10.646) 11.941 11.020 ( 24.167 -26.081 -13.942) 38.192 11.231 ( -0.348 -4.663 1.138) 4.812 12.380 ( -2.701 0.034 -1.427) 3.054 12.646 ( -6.828 2.697 -0.357) 7.350 14.417 ( -3.933 5.994 -12.194) 14.146 15.384 ( -5.192 -5.062 -5.430) 9.059 15.869 ( 11.340 24.730 -1.881) 27.271 16.387 ( 41.735 -0.280 -18.111) 45.496 16.591 ( 2.038 -3.629 -5.027) 6.526 16.755 ( -45.657 14.410 24.408) 53.740 17.659 ( -5.358 -22.768 -3.277) 23.618 17.734 ( 4.404 -0.616 4.181) 6.103 18.433 ( 0.701 0.641 2.859) 3.012 ======================= Grid point 107 (34/337) ======================= q-point: ( 0.20 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 10.502 -9.173 17.157) 22.109 1.504 ( 9.127 -10.439 23.731) 27.485 2.387 ( 27.826 -4.487 21.403) 35.391 2.875 ( 4.777 5.045 -1.266) 7.062 3.153 ( -9.321 -3.172 2.997) 10.292 3.455 ( -1.089 7.763 -6.767) 10.356 3.639 ( 1.565 4.679 2.259) 5.426 3.826 ( -6.694 -1.276 -7.259) 9.956 4.257 ( 10.768 5.151 -6.852) 13.764 4.691 ( -2.376 -6.302 -5.125) 8.463 5.262 ( 1.929 7.220 -1.826) 7.693 5.415 ( -8.846 6.516 17.569) 20.721 5.680 ( -11.285 -0.474 6.221) 12.895 5.933 ( -4.539 -12.155 -11.502) 17.339 6.652 ( -4.471 -2.545 9.756) 11.029 7.418 ( -12.036 2.130 21.587) 24.807 7.996 ( 1.977 6.766 5.120) 8.712 8.317 ( 2.220 3.662 -5.058) 6.627 8.883 ( -0.774 -3.265 13.967) 14.365 9.244 ( 3.138 -9.353 6.228) 11.667 9.416 ( -1.148 3.097 -0.067) 3.304 10.504 ( 3.521 1.661 1.653) 4.229 10.787 ( 1.162 5.940 5.619) 8.258 11.244 ( 3.376 -6.576 -3.284) 8.089 11.412 ( 15.929 -13.463 -2.680) 21.028 12.303 ( -5.070 -0.510 -3.622) 6.251 12.501 ( -9.151 3.795 0.342) 9.913 14.154 ( -4.176 8.753 -11.556) 15.086 15.272 ( -7.367 -6.000 -7.599) 12.166 15.799 ( 6.562 18.679 2.904) 20.010 16.394 ( -8.779 6.366 1.809) 10.995 16.492 ( -15.129 2.105 9.171) 17.817 16.773 ( 26.269 -2.765 -14.089) 29.937 17.656 ( -9.564 -7.695 2.429) 12.513 17.919 ( 9.074 -8.199 0.121) 12.230 18.471 ( 1.714 1.771 2.360) 3.413 ======================= Grid point 108 (35/337) ======================= q-point: ( 0.30 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 11.256 -8.774 12.600) 19.038 1.988 ( 9.989 -11.662 20.175) 25.354 2.803 ( -7.328 6.356 -0.855) 9.738 2.830 ( 13.532 9.558 4.323) 17.122 3.116 ( 1.008 -0.681 -1.446) 1.890 3.304 ( -0.838 5.076 -6.425) 8.231 3.614 ( 0.253 -3.874 -0.374) 3.900 3.752 ( 1.356 1.632 0.771) 2.257 4.335 ( 6.881 0.374 1.855) 7.136 4.689 ( 2.990 -8.000 -7.707) 11.504 5.147 ( -4.239 7.102 -3.067) 8.821 5.465 ( -2.927 2.651 8.586) 9.450 5.582 ( -12.342 1.523 6.607) 14.081 5.870 ( -3.576 -7.101 -3.177) 8.561 6.730 ( -2.629 -3.639 7.351) 8.614 7.497 ( -11.228 2.111 22.789) 25.493 7.925 ( -3.020 9.374 -1.462) 9.956 8.319 ( 4.491 1.256 -0.687) 4.714 9.018 ( -1.407 -1.562 7.912) 8.187 9.263 ( -3.829 2.661 -1.497) 4.897 9.577 ( 6.225 -12.275 9.079) 16.488 10.473 ( -5.728 7.876 1.343) 9.831 10.867 ( 7.071 -3.724 1.688) 8.168 11.302 ( 3.002 -3.905 -1.701) 5.211 11.692 ( 11.370 -4.579 2.469) 12.503 12.170 ( -7.422 -0.855 -4.620) 8.784 12.373 ( -6.697 1.316 1.859) 7.074 13.912 ( -2.771 8.652 -8.237) 12.263 15.130 ( -6.607 -5.559 -8.931) 12.422 15.780 ( 4.900 12.737 3.731) 14.148 16.253 ( -5.918 4.737 0.033) 7.580 16.400 ( -9.147 -0.227 4.825) 10.344 16.960 ( 20.306 -1.472 -11.923) 23.594 17.615 ( -9.038 -4.544 3.381) 10.666 18.101 ( 6.758 -6.613 0.982) 9.506 18.497 ( 1.904 3.005 1.482) 3.854 ======================= Grid point 109 (36/337) ======================= q-point: ( 0.40 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 10.170 -6.539 5.667) 13.353 2.380 ( 2.290 -5.324 13.865) 15.028 2.580 ( -11.358 6.389 -3.185) 13.416 2.798 ( 4.920 8.892 -2.712) 10.518 3.046 ( -5.711 8.417 -3.299) 10.693 3.266 ( 7.786 -3.845 -1.447) 8.804 3.679 ( -0.154 -1.450 -2.665) 3.038 3.856 ( 2.996 -6.662 6.219) 9.594 4.425 ( 0.897 0.668 3.065) 3.263 4.738 ( 8.946 -6.243 -8.685) 13.944 4.985 ( -4.233 5.443 -3.084) 7.554 5.413 ( -7.305 -2.134 -5.172) 9.201 5.497 ( -8.020 2.656 6.712) 10.790 5.909 ( 1.020 1.795 7.963) 8.226 6.804 ( -2.644 -3.237 6.139) 7.426 7.570 ( -13.925 2.968 22.987) 27.039 7.791 ( -2.123 5.037 -1.783) 5.750 8.353 ( 2.254 0.722 -0.932) 2.543 9.041 ( -2.123 -0.324 -1.451) 2.592 9.179 ( -3.100 0.768 -0.866) 3.309 9.876 ( 4.775 -11.694 9.254) 15.659 10.270 ( -9.420 10.259 -2.281) 14.113 11.052 ( 7.832 -8.616 1.625) 11.757 11.336 ( -0.195 1.212 0.262) 1.256 11.819 ( 3.317 1.284 1.992) 4.077 12.050 ( -7.177 -1.390 -0.684) 7.342 12.370 ( 0.872 -1.539 4.432) 4.772 13.759 ( 0.215 5.153 -4.016) 6.536 14.999 ( -3.396 -6.329 -11.158) 13.270 15.767 ( 1.856 9.278 1.934) 9.658 16.157 ( -0.526 4.176 -1.570) 4.492 16.358 ( -5.832 -1.217 4.730) 7.607 17.089 ( 15.664 -1.247 -10.655) 18.985 17.570 ( -9.182 -4.186 3.855) 10.803 18.238 ( 3.731 -3.780 2.230) 5.760 18.501 ( 1.609 3.928 0.284) 4.254 ======================= Grid point 110 (37/337) ======================= q-point: (-0.50 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -0.637 7.391 -9.133) 11.766 2.220 ( -19.679 10.859 0.883) 22.493 2.532 ( 4.556 -1.008 2.905) 5.496 2.903 ( -4.353 -1.855 0.796) 4.798 2.940 ( 10.434 -3.352 3.173) 11.409 3.435 ( 4.841 -4.517 5.494) 8.603 3.619 ( -3.671 -3.460 -4.440) 6.721 3.887 ( -8.925 1.587 -0.066) 9.065 4.403 ( -2.561 1.603 -1.511) 3.378 4.829 ( 9.615 -3.208 -7.038) 12.340 4.944 ( 3.267 -3.237 0.832) 4.674 5.231 ( -9.871 -2.318 -8.610) 13.302 5.455 ( -3.141 4.935 5.402) 7.963 6.009 ( 4.443 6.583 8.614) 11.716 6.838 ( -4.838 -0.252 5.600) 7.405 7.572 ( -12.180 3.802 15.850) 20.348 7.776 ( -3.759 -2.063 7.235) 8.410 8.340 ( -0.625 -0.903 -3.079) 3.269 8.944 ( -3.295 1.224 -7.407) 8.199 9.151 ( -0.436 -2.762 -1.522) 3.184 9.916 ( -9.424 12.660 -1.713) 15.875 10.198 ( 1.569 -11.419 4.467) 12.362 11.199 ( -1.331 3.293 0.574) 3.598 11.287 ( -1.716 -5.619 1.387) 6.037 11.895 ( 1.561 0.147 3.870) 4.176 11.981 ( -2.092 -3.399 0.392) 4.010 12.469 ( 1.712 3.645 9.222) 10.063 13.758 ( 5.270 -1.858 0.210) 5.592 14.891 ( 0.746 -7.975 -16.478) 18.322 15.706 ( -0.314 8.549 -0.032) 8.555 16.133 ( 1.385 3.055 1.273) 3.588 16.368 ( -0.983 -1.464 2.788) 3.299 17.172 ( 12.329 -0.918 -9.763) 15.753 17.527 ( -9.943 -5.557 4.203) 12.141 18.320 ( 0.604 0.138 4.198) 4.244 18.478 ( 0.996 3.839 -1.198) 4.143 ======================= Grid point 111 (38/337) ======================= q-point: (-0.40 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -12.212 15.276 -11.326) 22.600 1.828 ( -20.524 14.480 -1.584) 25.168 2.687 ( 6.005 -5.197 2.631) 8.366 2.871 ( -10.343 -3.948 -0.627) 11.089 3.094 ( 2.452 -0.137 0.235) 2.467 3.467 ( -4.424 -1.715 2.824) 5.522 3.606 ( -5.789 -4.604 -4.866) 8.854 3.740 ( -0.033 0.697 1.915) 2.038 4.346 ( -1.373 -0.841 -0.942) 1.865 4.891 ( 4.803 -0.825 -3.086) 5.768 4.996 ( -6.893 -3.079 -9.342) 12.011 5.107 ( 3.477 -9.292 1.052) 9.977 5.449 ( 3.554 9.184 4.136) 10.681 6.102 ( 6.252 7.379 5.764) 11.258 6.801 ( -7.963 2.892 5.685) 10.203 7.566 ( -11.305 1.697 15.991) 19.657 7.835 ( -5.848 -4.596 7.540) 10.592 8.300 ( -1.537 -4.009 -3.932) 5.821 8.782 ( -2.707 3.935 -8.880) 10.083 9.179 ( 1.460 -6.651 -2.521) 7.261 9.626 ( -9.063 14.993 -2.622) 17.715 10.361 ( -0.381 -11.155 2.802) 11.508 11.024 ( -12.181 5.188 -0.571) 13.252 11.382 ( 0.418 -3.765 1.928) 4.250 11.874 ( -5.027 0.858 4.685) 6.925 12.135 ( 9.070 -7.260 2.929) 11.982 12.550 ( -0.217 9.540 14.015) 16.956 13.929 ( 9.301 -8.418 3.061) 12.913 14.761 ( 4.311 -9.183 -27.325) 29.148 15.631 ( 0.269 9.120 1.527) 9.251 16.150 ( -0.022 1.862 3.237) 3.735 16.412 ( 3.321 -1.203 -0.215) 3.539 17.221 ( 8.695 -0.441 -8.106) 11.896 17.499 ( -9.785 -8.263 4.338) 13.522 18.345 ( -1.814 6.648 6.837) 9.707 18.443 ( 0.209 0.707 -2.103) 2.228 ======================= Grid point 112 (39/337) ======================= q-point: (-0.30 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -16.729 16.119 -7.400) 24.381 1.384 ( -22.539 15.862 -0.453) 27.565 2.434 ( -36.127 9.887 -7.599) 38.219 2.846 ( 5.586 -3.777 1.084) 6.830 3.100 ( -1.362 -0.063 0.873) 1.619 3.492 ( -6.019 -5.002 -2.166) 8.120 3.573 ( 2.586 -5.934 2.974) 7.124 3.776 ( 5.579 1.661 -4.111) 7.126 4.387 ( 1.081 -6.650 0.970) 6.807 4.793 ( -12.349 -2.783 -0.776) 12.682 4.959 ( 6.390 -3.280 -5.190) 8.862 5.260 ( 2.614 -9.707 1.375) 10.146 5.483 ( 9.828 11.577 1.857) 15.299 6.176 ( 6.838 6.891 2.533) 10.033 6.713 ( -10.001 4.146 6.675) 12.719 7.603 ( -13.667 -2.013 21.141) 25.254 7.842 ( -6.939 -3.749 2.615) 8.309 8.301 ( -0.465 -6.763 -1.923) 7.047 8.626 ( -0.508 5.378 -6.407) 8.381 9.226 ( 0.755 -2.431 -2.698) 3.709 9.386 ( -4.925 8.651 -0.700) 9.979 10.438 ( -3.337 -8.462 0.194) 9.098 10.808 ( -13.495 0.456 -1.015) 13.541 11.381 ( -3.758 2.583 1.665) 4.855 11.922 ( 0.297 -1.441 10.112) 10.219 12.364 ( 8.593 -7.425 3.434) 11.864 12.620 ( -0.855 14.206 18.475) 23.321 14.182 ( 9.329 -12.865 -1.489) 15.961 14.520 ( 6.389 -7.126 -40.650) 41.761 15.592 ( 1.068 9.318 3.925) 10.167 16.160 ( -0.989 1.667 2.042) 2.815 16.471 ( 5.467 -0.953 -1.599) 5.775 17.233 ( 2.474 -1.990 -4.829) 5.779 17.515 ( -6.857 -10.637 3.780) 13.208 18.321 ( -0.617 11.015 7.094) 13.116 18.430 ( -2.172 -1.226 1.559) 2.941 ======================= Grid point 113 (40/337) ======================= q-point: (-0.20 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -19.858 15.425 0.195) 25.146 0.939 ( -24.601 14.608 3.240) 28.794 1.675 ( -45.219 18.085 -1.585) 48.727 2.938 ( -0.039 -4.035 0.950) 4.145 3.065 ( -1.468 1.980 -0.269) 2.479 3.461 ( -2.055 -4.340 -0.998) 4.904 3.597 ( -4.375 -1.876 0.230) 4.766 3.857 ( 12.348 0.660 -2.738) 12.665 4.423 ( -3.257 -8.769 -7.079) 11.731 4.669 ( -11.902 -4.505 1.279) 12.790 5.063 ( 7.620 -3.236 1.905) 8.495 5.374 ( -0.284 -8.964 2.101) 9.212 5.551 ( 11.709 9.849 0.662) 15.315 6.218 ( 7.212 7.635 -1.221) 10.574 6.621 ( -11.290 3.492 9.235) 14.998 7.737 ( -7.154 -6.956 17.020) 19.729 7.804 ( -13.944 -7.828 14.661) 21.695 8.357 ( 0.459 -5.735 2.477) 6.264 8.541 ( 1.954 4.659 -2.605) 5.684 9.112 ( -3.107 12.350 -0.068) 12.735 9.387 ( 1.795 -6.820 -0.809) 7.098 10.429 ( -7.327 -8.074 -1.820) 11.054 10.650 ( -10.832 -3.740 0.894) 11.494 11.302 ( -4.742 3.875 0.958) 6.199 12.131 ( 7.657 -2.463 12.023) 14.466 12.545 ( 5.753 -3.598 1.100) 6.874 12.728 ( 3.763 20.541 26.238) 33.534 13.908 ( -1.913 -5.835 -69.435) 69.706 14.495 ( 7.805 -8.152 1.359) 11.367 15.570 ( 0.446 8.659 3.819) 9.475 16.136 ( 0.136 2.637 -1.880) 3.241 16.541 ( 5.060 -0.723 -0.340) 5.123 17.234 ( -2.304 -7.513 -1.447) 7.990 17.578 ( -5.428 -12.153 3.733) 13.824 18.317 ( 4.160 8.797 3.221) 10.250 18.452 ( -3.864 0.620 10.630) 11.327 ======================= Grid point 114 (41/337) ======================= q-point: (-0.10 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -19.041 13.747 13.317) 26.998 0.533 ( -26.919 9.667 7.546) 29.581 1.005 ( -41.841 18.065 28.136) 53.560 2.917 ( -5.222 -1.493 -0.477) 5.453 3.069 ( 3.770 1.089 0.450) 3.950 3.477 ( 0.516 -1.737 -0.378) 1.851 3.695 ( 4.817 -5.617 22.688) 23.864 3.975 ( 11.546 0.187 -5.403) 12.749 4.292 ( -7.806 -2.790 -6.917) 10.797 4.550 ( -9.805 -2.451 -1.805) 10.267 5.198 ( 3.935 -2.646 -1.276) 4.911 5.511 ( 0.857 -12.104 7.894) 14.476 5.637 ( 8.033 4.620 1.599) 9.404 6.191 ( 6.310 12.041 -5.973) 14.848 6.574 ( -11.525 0.530 13.947) 18.100 7.736 ( -0.442 -0.226 -0.046) 0.499 8.203 ( -9.939 -37.511 26.572) 47.032 8.476 ( -1.103 -9.003 -2.412) 9.385 8.600 ( 7.287 -6.720 20.990) 23.213 8.997 ( -1.517 8.479 2.555) 8.985 9.459 ( 1.760 -4.544 -0.541) 4.903 10.320 ( -20.615 -17.448 -8.327) 28.263 10.603 ( -5.062 -1.812 4.480) 6.999 11.218 ( -3.783 2.734 -2.208) 5.163 11.872 ( -21.167 68.272 -99.050) 122.148 12.424 ( -2.283 0.861 -3.285) 4.092 12.712 ( 0.185 -1.301 -0.364) 1.363 13.757 ( 35.965 -2.818 68.691) 77.588 14.638 ( 3.593 -5.470 -2.587) 7.038 15.529 ( -1.496 5.825 1.579) 6.218 16.079 ( 2.293 4.414 -5.232) 7.219 16.603 ( 2.730 -0.190 0.508) 2.783 17.297 ( -1.166 -15.185 -0.018) 15.230 17.652 ( -7.265 -13.312 4.077) 15.703 18.310 ( 4.210 5.446 -8.079) 10.614 18.535 ( -6.285 -1.650 2.291) 6.890 ======================= Grid point 116 (42/337) ======================= q-point: ( 0.10 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 11.647 -0.000 18.968) 22.258 1.404 ( 6.845 -0.000 27.257) 28.104 2.344 ( 31.565 -0.000 24.379) 39.883 2.930 ( 8.704 -0.000 -2.243) 8.989 3.117 ( -12.535 0.000 3.655) 13.056 3.536 ( -2.280 0.000 -1.445) 2.700 3.715 ( 8.526 -0.000 -6.798) 10.904 3.765 ( -12.336 0.000 -3.642) 12.862 4.339 ( 14.958 -0.000 -12.442) 19.456 4.611 ( -8.605 0.000 -4.358) 9.645 5.325 ( -1.408 0.000 -1.687) 2.198 5.538 ( -7.669 0.000 18.677) 20.190 5.674 ( -12.333 0.000 8.473) 14.963 5.757 ( -2.912 0.000 -12.728) 13.057 6.628 ( -5.419 0.000 10.410) 11.736 7.438 ( -13.404 0.000 22.412) 26.114 8.067 ( 3.668 -0.000 8.075) 8.869 8.341 ( -1.362 0.000 -8.695) 8.802 8.848 ( -0.538 0.000 16.180) 16.189 9.158 ( 6.712 -0.000 7.121) 9.786 9.453 ( -2.842 0.000 -2.419) 3.732 10.519 ( 4.368 -0.000 -1.636) 4.664 10.846 ( -2.590 0.000 6.448) 6.949 11.206 ( 1.161 -0.000 -2.107) 2.406 11.253 ( 27.093 -0.000 0.027) 27.093 12.300 ( -5.688 0.000 -2.705) 6.298 12.535 ( -9.947 0.000 -0.335) 9.953 14.239 ( -4.849 0.000 -12.147) 13.079 15.205 ( -6.989 0.000 -7.407) 10.184 15.985 ( 4.341 -0.000 -4.527) 6.273 16.474 ( -2.868 0.000 -6.980) 7.547 16.519 ( -35.043 0.000 25.220) 43.175 16.755 ( 37.527 -0.000 -22.480) 43.745 17.534 ( -3.876 0.000 3.155) 4.998 17.857 ( 6.301 -0.000 5.066) 8.085 18.487 ( 1.780 -0.000 2.746) 3.273 ======================= Grid point 117 (43/337) ======================= q-point: ( 0.20 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 12.132 -3.273 15.425) 19.895 1.830 ( 8.483 -5.145 24.545) 26.475 2.909 ( -10.784 4.763 -1.441) 11.877 2.959 ( 25.091 4.299 12.254) 28.252 3.064 ( 6.637 -3.622 -1.034) 7.631 3.397 ( -6.005 3.321 -5.975) 9.099 3.571 ( -9.779 -0.822 -3.574) 10.444 3.754 ( 5.138 -0.825 -6.489) 8.318 4.392 ( 9.003 5.756 -2.557) 10.987 4.540 ( 1.062 -8.304 -3.992) 9.275 5.238 ( -5.718 2.758 -2.152) 6.703 5.520 ( -4.769 3.440 -4.753) 7.560 5.610 ( -11.719 1.465 8.831) 14.747 5.733 ( -2.119 -7.037 10.426) 12.756 6.678 ( -3.587 -1.717 7.715) 8.680 7.525 ( -12.637 0.858 24.081) 27.209 8.099 ( -3.010 9.806 -0.129) 10.258 8.261 ( -1.236 -6.979 -2.668) 7.573 8.999 ( -0.917 -0.247 10.129) 10.174 9.327 ( 1.246 4.112 0.105) 4.298 9.416 ( 5.090 -6.455 4.704) 9.472 10.568 ( 3.032 2.083 0.432) 3.704 10.847 ( -2.099 1.361 2.687) 3.671 11.220 ( 4.286 -3.936 -3.966) 7.042 11.629 ( 19.933 -2.032 5.335) 20.734 12.163 ( -8.306 -0.019 -4.223) 9.318 12.393 ( -9.891 0.644 1.385) 10.008 14.033 ( -4.247 4.108 -9.139) 10.883 15.027 ( -7.475 -3.999 -9.417) 12.671 15.970 ( 3.818 6.230 -2.170) 7.623 16.332 ( -5.535 3.465 -2.816) 7.111 16.395 ( -17.612 -0.437 14.079) 22.552 16.953 ( 26.252 0.423 -17.829) 31.737 17.528 ( -6.016 -3.953 3.172) 7.866 18.013 ( 5.927 -2.736 4.957) 8.197 18.536 ( 1.834 1.225 2.245) 3.147 ======================= Grid point 118 (44/337) ======================= q-point: ( 0.30 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 11.086 -3.999 10.097) 15.519 2.255 ( 7.063 -6.617 20.524) 22.692 2.666 ( -11.866 3.349 -5.116) 13.349 3.014 ( -3.094 13.279 -3.410) 14.055 3.206 ( 5.588 2.778 4.738) 7.836 3.231 ( -3.105 5.836 -9.678) 11.721 3.605 ( 9.727 -8.552 -1.848) 13.083 3.719 ( -4.406 -6.254 -1.258) 7.753 4.455 ( 3.038 2.595 3.887) 5.575 4.622 ( 8.671 -6.328 -7.153) 12.900 5.083 ( -6.370 5.035 -3.213) 8.732 5.356 ( -6.823 -3.709 -9.928) 12.605 5.551 ( -8.187 3.062 9.446) 12.870 5.918 ( 1.812 -0.503 14.657) 14.777 6.737 ( -2.531 -3.492 6.163) 7.522 7.608 ( -15.427 1.324 25.400) 29.748 7.916 ( -4.585 8.623 -4.611) 10.800 8.284 ( -4.353 -7.477 -0.496) 8.666 9.021 ( -4.035 -0.959 -1.461) 4.398 9.251 ( 0.157 5.635 -1.449) 5.820 9.692 ( 8.981 -8.575 8.490) 15.042 10.492 ( -4.104 13.109 -0.856) 13.763 10.910 ( 4.530 -7.011 1.792) 8.538 11.291 ( 3.904 -5.308 -2.759) 7.144 11.872 ( 4.527 3.915 3.638) 7.004 12.017 ( -5.711 -2.028 -2.143) 6.428 12.343 ( -0.893 -1.374 5.674) 5.906 13.856 ( -3.186 5.070 -5.421) 8.077 14.865 ( -5.894 -7.126 -11.482) 14.743 15.928 ( 1.072 7.233 -1.042) 7.386 16.226 ( -0.058 3.135 -3.393) 4.619 16.347 ( -10.344 0.034 10.521) 14.755 17.076 ( 19.114 -0.092 -14.372) 23.915 17.502 ( -7.558 -3.290 2.930) 8.748 18.166 ( 4.080 -3.579 4.573) 7.096 18.563 ( 1.309 2.660 1.515) 3.329 ======================= Grid point 119 (45/337) ======================= q-point: (-0.60 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 8.067 -0.550 0.873) 8.133 2.357 ( -15.835 4.646 -0.791) 16.522 2.578 ( 3.067 3.558 6.012) 7.629 2.884 ( -2.611 1.036 4.237) 5.084 2.963 ( -4.606 6.220 -5.378) 9.425 3.381 ( 8.589 -1.466 3.878) 9.537 3.559 ( -6.951 -3.719 -6.343) 10.118 3.838 ( -0.764 -6.163 2.181) 6.582 4.447 ( -2.754 3.025 -2.326) 4.706 4.712 ( 6.967 -8.354 -7.079) 12.978 4.957 ( -0.700 3.251 -1.919) 3.840 5.175 ( -9.791 -3.699 -7.705) 12.997 5.556 ( -0.549 5.762 8.499) 10.283 6.093 ( 3.314 3.039 11.061) 11.940 6.807 ( -1.928 -3.031 5.672) 6.713 7.640 ( -16.646 2.908 21.448) 27.305 7.767 ( -5.776 2.134 1.028) 6.243 8.253 ( -6.736 -7.957 -3.196) 10.904 8.917 ( -4.887 -3.428 -7.629) 9.687 9.187 ( 0.714 5.367 -3.131) 6.255 9.962 ( 6.044 -7.702 7.080) 12.082 10.260 ( -4.732 18.162 -2.554) 18.942 11.097 ( 7.372 -9.409 2.325) 12.178 11.283 ( -7.034 -0.814 -2.008) 7.360 11.871 ( 3.568 -1.702 -1.417) 4.199 11.965 ( -6.704 0.878 3.211) 7.485 12.506 ( 6.348 0.785 11.137) 12.843 13.755 ( -0.422 1.294 -1.926) 2.358 14.730 ( -2.832 -9.074 -14.862) 17.642 15.851 ( -0.568 6.884 -1.237) 7.018 16.195 ( 1.562 3.647 0.565) 4.008 16.349 ( -3.143 -0.477 5.655) 6.487 17.158 ( 14.655 -0.597 -12.074) 18.998 17.449 ( -9.083 -3.364 2.700) 10.055 18.285 ( 1.687 -2.827 4.453) 5.538 18.558 ( 0.419 4.130 0.808) 4.229 ======================= Grid point 120 (46/337) ======================= q-point: (-0.50 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -11.379 13.212 -7.701) 19.062 2.068 ( -11.114 11.962 -5.465) 17.218 2.626 ( 1.872 -0.924 4.237) 4.723 2.814 ( -6.119 -1.827 2.411) 6.826 3.065 ( 4.701 -3.156 4.393) 7.167 3.427 ( -8.316 -4.584 -1.673) 9.642 3.523 ( 1.661 -1.694 0.295) 2.391 3.786 ( -6.110 3.175 1.995) 7.169 4.334 ( -3.278 -0.342 -5.161) 6.124 4.798 ( 4.923 -10.313 -7.516) 13.678 4.935 ( -4.635 -4.577 -5.895) 8.785 5.011 ( -3.794 0.122 1.084) 3.947 5.615 ( 5.874 9.019 6.413) 12.529 6.202 ( 3.385 4.031 6.048) 8.018 6.844 ( -3.125 1.645 5.084) 6.190 7.609 ( -13.040 2.985 15.171) 20.227 7.734 ( -11.004 -5.721 8.362) 14.958 8.187 ( -5.847 -8.259 -4.636) 11.130 8.794 ( -3.889 -3.306 -8.749) 10.129 9.116 ( 0.499 0.401 -5.007) 5.048 9.964 ( -4.336 21.864 0.160) 22.290 10.188 ( 3.171 -7.570 2.429) 8.559 11.077 ( -16.073 0.200 -2.932) 16.340 11.311 ( 8.522 -4.192 2.632) 9.855 11.899 ( -5.702 0.758 2.796) 6.395 11.999 ( 8.112 -6.792 0.937) 10.621 12.693 ( 3.016 6.503 15.794) 17.345 13.795 ( 4.073 -6.338 0.448) 7.547 14.593 ( 0.026 -9.067 -21.038) 22.909 15.782 ( 0.764 7.231 0.388) 7.282 16.199 ( -0.105 3.605 3.481) 5.013 16.390 ( 2.293 -1.174 0.948) 2.745 17.214 ( 9.917 -0.304 -8.912) 13.337 17.384 ( -8.622 -4.948 1.631) 10.073 18.364 ( -0.527 -1.796 4.498) 4.872 18.521 ( -0.411 5.563 0.601) 5.611 ======================= Grid point 121 (47/337) ======================= q-point: (-0.40 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -14.938 17.361 -6.041) 23.687 1.676 ( -15.600 17.539 -5.725) 24.161 2.577 ( -19.302 4.114 -1.146) 19.769 2.818 ( 0.918 0.182 4.472) 4.569 3.096 ( -0.347 0.769 -0.964) 1.281 3.380 ( -7.158 -7.327 -2.612) 10.570 3.497 ( -0.783 -1.233 4.617) 4.842 3.805 ( 5.513 1.428 0.123) 5.697 4.280 ( -2.497 -5.309 -1.447) 6.042 4.737 ( -11.237 -3.778 -6.017) 13.295 4.880 ( 2.888 -6.589 -3.382) 7.949 5.095 ( 2.382 -7.794 2.106) 8.418 5.689 ( 9.384 11.244 3.700) 15.105 6.262 ( 3.285 2.905 2.179) 4.897 6.806 ( -4.841 6.062 4.404) 8.920 7.574 ( -21.930 -2.238 21.072) 30.495 7.740 ( -3.623 -6.238 0.587) 7.238 8.160 ( -3.239 -8.942 -2.089) 9.738 8.674 ( -2.536 -0.432 -6.911) 7.374 9.102 ( 1.150 -7.049 -4.420) 8.399 9.709 ( -3.065 23.865 0.668) 24.071 10.299 ( -0.140 -7.197 1.276) 7.310 10.806 ( -17.653 -0.561 -3.048) 17.922 11.436 ( 3.901 3.068 1.833) 5.290 11.899 ( 1.243 -1.689 4.406) 4.880 12.202 ( 7.407 -10.109 2.035) 12.696 12.845 ( 0.941 11.011 21.188) 23.896 13.944 ( 4.869 -13.273 -5.062) 15.016 14.401 ( 2.209 -5.923 -25.910) 26.670 15.754 ( 2.549 8.300 2.421) 9.014 16.199 ( -0.741 2.924 2.494) 3.914 16.449 ( 4.473 -1.492 -0.766) 4.777 17.195 ( -6.372 -2.077 -1.051) 6.784 17.382 ( 3.848 -5.001 -3.569) 7.250 18.405 ( -2.149 -1.528 2.995) 3.991 18.475 ( -0.185 6.687 2.824) 7.261 ======================= Grid point 122 (48/337) ======================= q-point: (-0.30 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -15.277 19.608 -1.639) 24.911 1.236 ( -17.967 18.897 -2.578) 26.202 2.067 ( -30.461 23.321 0.625) 38.369 2.877 ( -3.037 -3.009 3.902) 5.788 3.087 ( 1.899 1.114 -1.180) 2.498 3.354 ( -3.307 -7.546 -0.208) 8.241 3.557 ( -1.551 -2.000 2.833) 3.799 3.874 ( 9.661 1.245 -2.698) 10.107 4.284 ( -3.430 -7.050 -3.492) 8.583 4.577 ( -12.754 -4.809 1.202) 13.683 4.971 ( 5.527 -7.672 -1.469) 9.569 5.218 ( -0.337 -8.622 3.716) 9.395 5.748 ( 9.539 11.545 1.260) 15.029 6.297 ( 3.921 1.600 -0.808) 4.312 6.720 ( -5.880 7.396 4.427) 10.434 7.552 ( -26.837 -11.312 24.586) 38.113 7.747 ( 0.608 -1.073 -1.653) 2.063 8.205 ( -1.610 -10.256 0.201) 10.384 8.593 ( -0.603 0.885 -2.523) 2.741 9.164 ( 1.903 -10.592 -2.873) 11.138 9.483 ( -2.269 22.094 2.005) 22.301 10.337 ( -3.375 -3.974 -0.029) 5.214 10.568 ( -14.815 -3.977 -1.227) 15.389 11.411 ( -1.041 7.626 0.868) 7.746 12.072 ( 9.938 -4.512 5.656) 12.293 12.403 ( 4.639 -10.809 1.572) 11.867 13.048 ( 5.871 13.822 28.016) 31.787 13.788 ( -4.849 -7.221 -43.848) 44.702 14.345 ( 6.207 -7.886 -2.603) 10.368 15.744 ( 2.706 9.943 2.667) 10.644 16.183 ( 1.411 2.553 -1.705) 3.379 16.521 ( 4.148 -1.463 0.649) 4.446 17.089 ( -15.950 -6.964 3.494) 17.751 17.462 ( 8.215 -3.055 -4.217) 9.727 18.391 ( -1.088 0.750 -0.696) 1.493 18.489 ( -0.062 3.268 6.687) 7.443 ======================= Grid point 123 (49/337) ======================= q-point: (-0.20 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -16.729 18.876 4.632) 25.644 0.847 ( -11.911 22.058 7.651) 26.210 1.493 ( -25.187 32.469 14.591) 43.607 2.869 ( -5.888 -3.850 1.197) 7.136 3.107 ( 4.637 3.277 0.082) 5.679 3.403 ( -1.028 -6.797 2.138) 7.199 3.601 ( -2.449 -3.644 9.542) 10.503 3.975 ( 10.770 -0.178 -4.326) 11.607 4.232 ( -3.044 -3.832 -2.321) 5.416 4.480 ( -10.540 -4.562 0.987) 11.528 5.107 ( 3.857 -7.634 -0.722) 8.584 5.327 ( -4.159 -8.462 8.561) 12.736 5.770 ( 6.135 9.476 0.307) 11.293 6.327 ( 7.925 2.107 -5.789) 10.038 6.628 ( -7.956 5.984 7.273) 12.329 7.609 ( -28.939 -21.387 25.365) 44.026 7.749 ( -1.806 -0.124 3.486) 3.928 8.284 ( -0.555 -10.838 -1.077) 10.905 8.594 ( 0.872 -0.019 2.744) 2.880 9.232 ( 2.551 6.409 -0.122) 6.899 9.332 ( -2.607 2.058 1.800) 3.778 10.244 ( -7.835 1.454 -1.977) 8.210 10.503 ( -5.780 -7.368 4.501) 10.390 11.330 ( -1.136 8.379 0.841) 8.497 12.299 ( 10.731 -3.137 -0.722) 11.203 12.514 ( 0.442 -5.301 -11.483) 12.655 12.878 ( -6.102 21.162 -56.750) 60.874 13.692 ( 18.413 -3.878 47.383) 50.982 14.489 ( 3.809 -9.746 -0.543) 10.478 15.691 ( 0.074 10.991 0.248) 10.994 16.166 ( 7.147 4.034 -5.780) 10.038 16.594 ( 2.562 -0.897 1.669) 3.187 16.980 ( -23.293 -13.732 8.821) 28.442 17.552 ( 7.519 -1.455 -2.432) 8.035 18.367 ( 1.012 1.385 -2.043) 2.668 18.517 ( -3.207 -0.260 -0.166) 3.221 ======================= Grid point 124 (50/337) ======================= q-point: (-0.10 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 0.600 15.652 19.062) 24.672 0.743 ( 3.265 16.204 20.811) 26.577 1.260 ( -6.524 26.567 33.127) 42.963 2.839 ( -1.270 -2.747 -1.812) 3.527 3.153 ( 1.620 2.428 4.329) 5.221 3.469 ( 0.959 -3.653 1.617) 4.109 3.713 ( -6.281 -11.298 0.252) 12.929 4.054 ( 6.161 1.553 -4.507) 7.790 4.313 ( -2.384 -9.968 -3.454) 10.815 4.495 ( 14.027 -5.028 10.634) 18.306 5.156 ( 0.029 -3.974 -2.290) 4.587 5.444 ( -11.172 -11.174 13.037) 20.486 5.760 ( 0.271 5.294 1.897) 5.630 6.282 ( 7.609 9.863 -15.624) 19.982 6.589 ( -10.578 1.369 13.729) 17.386 7.601 ( -47.092 -21.454 24.193) 57.125 7.778 ( 0.640 -0.842 4.186) 4.317 8.352 ( 1.573 -8.510 -2.041) 8.892 8.633 ( -1.925 2.656 5.694) 6.571 9.113 ( -1.094 16.311 2.508) 16.539 9.411 ( 1.275 -9.027 1.046) 9.176 10.207 ( 8.449 0.229 3.548) 9.167 10.588 ( -2.228 -6.594 8.242) 10.788 11.260 ( 1.876 9.306 -0.851) 9.531 11.552 ( -1.108 54.082 -44.917) 70.311 12.399 ( 0.800 -1.752 -0.379) 1.963 12.672 ( -2.742 -5.511 0.509) 6.177 14.476 ( 2.341 -14.686 -6.712) 16.316 14.982 ( 45.239 -33.474 29.678) 63.623 15.560 ( -3.543 8.882 -2.859) 9.981 16.189 ( 18.005 8.416 -9.463) 22.012 16.628 ( 1.113 0.944 -0.732) 1.633 16.896 ( -34.685 -21.796 17.418) 44.514 17.639 ( 6.224 0.250 0.405) 6.242 18.175 ( -12.988 18.776 -17.419) 28.717 18.406 ( -3.608 -0.540 2.785) 4.590 ======================= Grid point 127 (51/337) ======================= q-point: ( 0.20 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 10.983 -0.000 11.668) 16.024 2.192 ( 8.016 -0.000 22.547) 23.929 2.697 ( -12.722 0.000 -5.869) 14.011 3.148 ( -3.302 0.000 -0.959) 3.439 3.228 ( 2.596 -0.000 -6.397) 6.903 3.378 ( -11.537 0.000 -2.812) 11.875 3.424 ( 19.384 -0.000 7.801) 20.895 3.666 ( -2.170 0.000 -11.520) 11.722 4.502 ( 0.320 -0.000 4.997) 5.008 4.540 ( 11.517 -0.000 -7.275) 13.623 5.137 ( -7.148 0.000 -1.471) 7.298 5.313 ( -6.697 0.000 -12.848) 14.489 5.583 ( -7.863 0.000 10.171) 12.856 5.909 ( 2.224 -0.000 17.330) 17.472 6.703 ( -2.780 0.000 6.165) 6.763 7.619 ( -16.172 0.000 25.881) 30.519 8.041 ( -4.242 0.000 -9.089) 10.030 8.165 ( -7.413 0.000 3.573) 8.229 9.013 ( -4.806 0.000 -2.215) 5.292 9.317 ( -0.267 0.000 -1.088) 1.121 9.603 ( 11.408 -0.000 7.891) 13.872 10.646 ( 5.118 -0.000 0.784) 5.177 10.828 ( -4.655 0.000 2.076) 5.096 11.223 ( 6.372 -0.000 -4.973) 8.083 11.918 ( 9.229 -0.000 6.472) 11.272 11.992 ( -8.585 0.000 -4.492) 9.690 12.329 ( -2.237 0.000 5.856) 6.269 13.907 ( -4.218 0.000 -6.165) 7.470 14.795 ( -6.739 0.000 -10.841) 12.765 15.994 ( 0.568 -0.000 -3.310) 3.359 16.253 ( 2.164 -0.000 -7.273) 7.589 16.352 ( -14.698 0.000 16.503) 22.100 17.078 ( 20.896 -0.000 -16.874) 26.858 17.469 ( -6.595 0.000 3.390) 7.415 18.131 ( 3.937 -0.000 5.817) 7.024 18.587 ( 1.247 -0.000 1.825) 2.210 ======================= Grid point 128 (52/337) ======================= q-point: ( 0.30 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 8.446 -1.295 5.870) 10.366 2.401 ( -10.163 0.941 -1.369) 10.298 2.598 ( 6.198 -0.298 13.375) 14.745 2.948 ( -11.996 3.622 -0.844) 12.559 3.097 ( -8.193 6.396 -8.652) 13.523 3.380 ( 8.273 1.181 4.293) 9.396 3.481 ( -9.081 -4.695 -9.153) 13.722 3.729 ( 10.684 -4.239 3.990) 12.167 4.497 ( -2.955 2.431 -3.068) 4.905 4.583 ( 3.572 -5.207 -7.784) 10.023 5.027 ( -4.322 4.295 -2.570) 6.613 5.105 ( -8.098 -4.221 -6.125) 10.996 5.636 ( 0.602 2.725 9.680) 10.074 6.123 ( 2.950 0.653 13.020) 13.366 6.755 ( -0.662 -1.988 6.070) 6.421 7.659 ( -21.336 0.053 26.064) 33.683 7.858 ( -4.068 6.203 -6.100) 9.604 8.100 ( -9.322 -7.739 -1.456) 12.203 8.867 ( -6.174 -1.602 -8.805) 10.872 9.274 ( -0.919 3.195 -3.861) 5.095 9.851 ( 9.458 -3.722 6.446) 12.036 10.607 ( 0.310 19.282 0.510) 19.291 10.903 ( 4.060 -13.385 2.563) 14.220 11.230 ( -2.439 -3.157 -4.520) 6.028 11.864 ( -0.838 0.398 -3.673) 3.788 11.980 ( -5.665 0.501 4.389) 7.184 12.508 ( 9.474 -0.156 12.171) 15.424 13.784 ( -4.032 1.292 -3.897) 5.754 14.606 ( -4.298 -4.067 -12.207) 13.565 15.932 ( -1.011 2.214 -3.645) 4.383 16.243 ( 4.802 1.399 -2.912) 5.788 16.352 ( -8.058 0.500 11.038) 13.676 17.153 ( 16.430 -0.079 -14.424) 21.863 17.408 ( -8.410 -1.237 2.598) 8.888 18.244 ( 1.929 -1.393 5.595) 6.080 18.609 ( 0.335 1.513 1.260) 1.998 ======================= Grid point 129 (53/337) ======================= q-point: (-0.60 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -12.462 5.435 -5.314) 14.597 2.212 ( 3.515 3.606 -2.943) 5.832 2.678 ( -9.480 6.334 3.059) 11.805 2.832 ( -5.237 4.000 3.412) 7.421 2.995 ( 4.884 -4.314 5.831) 8.745 3.298 ( -10.986 -8.572 -6.664) 15.446 3.541 ( 6.652 1.864 5.377) 8.754 3.849 ( -0.055 3.913 3.103) 4.995 4.338 ( -5.384 0.873 -8.312) 9.942 4.589 ( 0.418 -11.588 -7.398) 13.755 4.866 ( -7.616 -2.911 -7.187) 10.868 5.036 ( -3.555 1.560 1.864) 4.307 5.751 ( 6.812 5.936 7.418) 11.690 6.250 ( 0.876 1.601 6.709) 6.953 6.853 ( 1.825 -0.507 6.353) 6.630 7.616 ( -28.795 -2.674 24.013) 37.589 7.719 ( -0.846 4.878 -2.699) 5.639 8.026 ( -7.356 -9.430 -3.813) 12.553 8.712 ( -4.396 -4.323 -9.592) 11.403 9.155 ( -2.629 2.622 -7.014) 7.936 10.053 ( 5.251 -4.530 4.451) 8.241 10.407 ( -0.857 24.013 0.162) 24.029 11.045 ( -11.976 -2.976 -3.056) 12.713 11.188 ( 7.481 -10.756 2.011) 13.256 11.874 ( 2.762 -1.562 -2.386) 3.970 11.947 ( -2.365 -0.522 3.525) 4.277 12.779 ( 7.346 3.234 16.179) 18.060 13.711 ( -1.761 -3.159 -2.413) 4.348 14.461 ( -1.371 -5.444 -14.776) 15.806 15.874 ( 1.277 3.159 -2.057) 3.980 16.266 ( 1.540 3.486 2.304) 4.453 16.373 ( -1.093 -0.697 3.689) 3.910 17.211 ( 12.777 -0.082 -10.808) 16.736 17.320 ( -9.245 -2.365 1.040) 9.599 18.330 ( -0.213 -1.625 4.991) 5.254 18.598 ( -0.586 2.976 0.820) 3.142 ======================= Grid point 130 (54/337) ======================= q-point: (-0.50 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -13.393 11.792 -4.647) 18.440 2.001 ( -8.656 17.601 -7.695) 21.069 2.586 ( -8.563 -1.848 3.189) 9.323 2.803 ( -3.646 -1.080 3.781) 5.363 3.101 ( -2.160 -3.225 -2.169) 4.446 3.252 ( -1.832 -6.181 2.934) 7.083 3.576 ( -2.223 9.803 4.012) 10.822 3.833 ( 2.300 2.553 3.259) 4.736 4.206 ( -2.999 -3.004 -6.150) 7.473 4.624 ( -1.273 -11.017 -7.700) 13.501 4.737 ( -8.670 -6.838 -0.543) 11.056 5.011 ( -0.848 -2.157 0.066) 2.319 5.867 ( 9.072 8.466 4.428) 13.175 6.291 ( -0.187 0.754 2.421) 2.543 6.914 ( 0.757 5.676 4.063) 7.021 7.485 ( -32.754 -7.004 20.862) 39.460 7.690 ( 2.638 0.531 -0.642) 2.767 7.995 ( -4.640 -9.296 -1.823) 10.548 8.614 ( -2.035 -5.219 -7.348) 9.240 9.029 ( -2.686 -1.523 -6.719) 7.395 10.144 ( -0.897 14.735 3.237) 15.113 10.210 ( 1.522 6.757 0.222) 6.930 10.790 ( -17.690 -1.130 -4.280) 18.235 11.444 ( 10.779 -4.237 3.456) 12.086 11.855 ( -2.742 -2.162 0.899) 3.606 12.046 ( 5.818 -6.766 0.417) 8.934 13.009 ( 3.499 7.546 20.206) 21.851 13.733 ( 0.651 -10.190 -5.171) 11.445 14.317 ( 1.033 -3.550 -16.870) 17.270 15.867 ( 4.294 4.348 -0.239) 6.116 16.264 ( -1.638 4.205 3.326) 5.606 16.420 ( 3.095 -1.750 0.278) 3.566 17.166 ( -11.033 -1.154 0.092) 11.093 17.320 ( 11.300 -2.313 -7.448) 13.729 18.379 ( -2.011 -1.342 3.933) 4.617 18.566 ( -0.892 3.699 0.960) 3.924 ======================= Grid point 131 (55/337) ======================= q-point: (-0.40 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -13.095 16.967 -2.750) 21.608 1.603 ( -12.635 21.475 -3.531) 25.165 2.404 ( -14.077 13.134 -0.582) 19.261 2.806 ( -8.872 -5.737 5.113) 11.737 3.092 ( 0.649 -5.607 -1.743) 5.907 3.270 ( 0.833 3.864 1.364) 4.181 3.553 ( -1.218 2.630 5.491) 6.209 3.896 ( 6.510 1.141 -1.489) 6.775 4.167 ( -2.727 -6.076 -2.238) 7.026 4.518 ( -11.053 -1.926 0.004) 11.219 4.786 ( 1.237 -12.994 -1.557) 13.145 5.068 ( -0.265 -8.348 2.299) 8.663 5.939 ( 8.200 9.739 1.382) 12.806 6.302 ( 0.372 -0.459 -0.028) 0.591 6.864 ( -2.953 8.452 1.678) 9.109 7.358 ( -29.751 -10.140 20.249) 37.389 7.741 ( 3.712 -0.249 0.333) 3.736 8.017 ( -3.213 -10.371 -0.311) 10.862 8.575 ( -0.559 -2.787 -2.884) 4.050 8.982 ( -1.039 -8.411 -4.194) 9.456 9.931 ( -1.048 26.873 1.916) 26.961 10.260 ( -0.651 -4.434 1.795) 4.828 10.526 ( -15.148 -1.141 -3.219) 15.529 11.549 ( 2.094 7.335 1.902) 7.862 11.955 ( 7.493 -9.284 2.409) 12.172 12.199 ( 3.353 -10.974 0.894) 11.510 13.231 ( 4.262 7.656 23.192) 24.792 13.662 ( -3.909 -6.963 -23.136) 24.476 14.234 ( 4.377 -4.480 -6.828) 9.266 15.894 ( 5.784 6.558 0.295) 8.749 16.230 ( -0.275 3.044 -0.617) 3.118 16.492 ( 2.768 -1.792 2.212) 3.970 17.003 ( -15.781 -3.021 1.102) 16.106 17.428 ( 12.330 -1.255 -5.636) 13.615 18.388 ( -2.712 -0.575 2.219) 3.551 18.542 ( -0.458 2.450 1.276) 2.800 ======================= Grid point 132 (56/337) ======================= q-point: (-0.30 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -10.127 20.585 2.505) 23.077 1.247 ( -9.301 22.653 3.845) 24.788 2.039 ( -12.229 27.155 4.383) 30.103 2.780 ( -8.171 -6.211 2.667) 10.604 3.171 ( 5.313 -1.537 1.251) 5.670 3.276 ( -1.351 -0.989 2.768) 3.235 3.566 ( -2.994 -0.501 3.433) 4.582 3.968 ( 8.559 -0.578 -3.210) 9.160 4.152 ( -2.901 -4.992 -1.741) 6.030 4.420 ( -8.770 -1.688 4.279) 9.903 4.929 ( 3.003 -12.405 0.449) 12.771 5.176 ( -2.864 -9.310 5.933) 11.405 5.944 ( 4.725 9.635 -0.963) 10.775 6.320 ( 3.217 -1.518 -2.307) 4.240 6.750 ( -6.096 6.709 2.279) 9.347 7.322 ( -24.996 -11.950 21.112) 34.833 7.774 ( 0.879 2.037 1.274) 2.558 8.083 ( -0.629 -11.843 -0.980) 11.900 8.585 ( 0.309 -0.762 2.465) 2.599 9.052 ( 1.322 -12.774 -0.798) 12.867 9.705 ( -1.245 26.088 2.287) 26.217 10.272 ( -3.718 0.629 -0.223) 3.777 10.381 ( -6.044 -5.538 2.370) 8.533 11.490 ( -1.067 9.373 1.717) 9.589 12.195 ( 9.547 -8.288 1.983) 12.797 12.328 ( -1.097 -12.938 -0.841) 13.011 13.156 ( -4.374 10.840 -41.498) 43.113 13.626 ( 7.661 -3.652 29.118) 30.329 14.331 ( 4.237 -7.599 1.351) 8.804 15.881 ( 2.515 9.808 -1.528) 10.240 16.213 ( 6.058 1.642 -4.538) 7.746 16.569 ( -0.055 -1.964 4.584) 4.988 16.829 ( -17.162 -4.466 2.791) 17.951 17.540 ( 10.092 -0.285 -2.855) 10.492 18.377 ( -1.604 -0.001 1.004) 1.892 18.521 ( -1.593 0.554 -2.034) 2.642 ======================= Grid point 133 (57/337) ======================= q-point: (-0.20 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 2.072 19.548 12.245) 23.160 1.078 ( 0.316 20.523 12.665) 24.118 1.788 ( -1.479 29.950 15.944) 33.962 2.768 ( -2.612 -5.156 -0.362) 5.791 3.232 ( 1.884 6.947 4.376) 8.423 3.350 ( -0.437 -10.035 4.092) 10.846 3.556 ( -4.620 -5.825 -1.763) 7.641 4.064 ( 8.989 -1.060 -3.353) 9.652 4.141 ( -6.468 -7.987 -2.163) 10.503 4.453 ( 4.024 -0.540 10.288) 11.060 5.055 ( 0.721 -8.171 -0.099) 8.204 5.279 ( -7.102 -8.873 9.705) 14.945 5.881 ( -0.396 7.922 -1.231) 8.026 6.344 ( 5.477 -0.505 -8.077) 9.772 6.657 ( -6.371 4.953 6.095) 10.113 7.330 ( -25.072 -10.992 21.592) 34.867 7.781 ( 0.549 1.134 2.358) 2.674 8.176 ( 1.267 -11.248 -1.823) 11.465 8.653 ( 0.955 0.322 7.151) 7.222 9.206 ( 2.691 -12.415 2.201) 12.893 9.488 ( -2.025 24.267 2.796) 24.511 10.239 ( 3.851 2.236 1.136) 4.595 10.453 ( -2.161 -7.812 6.779) 10.567 11.415 ( -1.060 9.047 2.292) 9.393 12.175 ( -11.232 11.729 -25.377) 30.128 12.378 ( 8.942 -1.540 -6.246) 11.016 12.593 ( -3.385 3.510 -10.984) 12.018 14.136 ( 7.828 -20.562 4.652) 22.488 14.593 ( 12.550 -12.960 22.057) 28.495 15.747 ( -2.405 11.207 -4.875) 12.456 16.269 ( 13.303 1.517 -7.149) 15.179 16.611 ( -10.993 -5.404 8.885) 15.132 16.699 ( -8.184 -1.034 1.913) 8.468 17.642 ( 6.263 0.141 1.072) 6.356 18.361 ( 0.167 4.261 -7.556) 8.676 18.400 ( -6.353 0.823 -1.617) 6.607 ======================= Grid point 134 (58/337) ======================= q-point: (-0.10 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 6.204 15.503 16.467) 23.451 1.222 ( 11.526 13.534 19.658) 26.504 1.896 ( 16.407 19.235 24.659) 35.316 2.797 ( 2.629 -4.330 -1.768) 5.365 3.226 ( -5.262 3.660 6.696) 9.269 3.476 ( -0.334 -4.015 0.790) 4.106 3.524 ( 0.612 -10.850 -4.372) 11.713 4.016 ( -10.193 -1.795 -4.291) 11.204 4.160 ( 9.457 -5.323 -7.907) 13.427 4.703 ( 6.491 -3.086 5.964) 9.339 5.121 ( 1.947 -6.294 2.085) 6.910 5.349 ( -11.220 -7.045 12.192) 18.005 5.779 ( -6.338 4.307 1.501) 7.808 6.223 ( -0.829 7.447 -14.221) 16.074 6.632 ( -6.031 3.187 10.293) 12.348 7.341 ( -17.975 -5.353 21.224) 28.324 7.852 ( 3.035 -3.022 4.654) 6.324 8.267 ( 2.115 -9.695 -3.043) 10.379 8.761 ( 0.927 2.597 11.622) 11.944 9.304 ( -1.101 19.822 4.433) 20.341 9.356 ( 0.713 -8.872 2.028) 9.129 10.371 ( 9.309 -1.250 3.420) 9.996 10.602 ( 0.857 -9.097 8.223) 12.292 11.349 ( -2.134 7.966 1.884) 8.459 11.565 ( 5.044 29.152 -23.122) 37.548 12.385 ( 0.326 1.099 -3.506) 3.689 12.553 ( -6.574 -7.553 0.552) 10.029 14.235 ( -2.197 -13.685 -11.026) 17.711 15.288 ( 11.399 -31.217 16.129) 36.940 15.542 ( -1.582 9.903 -5.650) 11.510 16.369 ( 12.533 -2.147 -8.423) 15.253 16.560 ( -21.921 -7.239 14.715) 27.376 16.677 ( 8.973 5.227 -4.962) 11.509 17.727 ( -0.778 -0.316 5.702) 5.763 18.056 ( -2.521 17.314 -12.397) 21.444 18.413 ( 0.502 -1.520 2.220) 2.737 ======================= Grid point 138 (59/337) ======================= q-point: ( 0.30 -0.70 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -9.167 0.000 -6.014) 10.963 2.228 ( 4.785 -0.000 0.954) 4.880 2.763 ( -17.714 0.000 2.411) 17.877 2.895 ( 8.442 -0.000 16.150) 18.223 2.945 ( -4.536 0.000 -6.174) 7.662 3.193 ( -12.566 0.000 -8.917) 15.408 3.559 ( 7.543 -0.000 6.107) 9.705 3.895 ( 7.392 -0.000 4.589) 8.701 4.359 ( -6.654 0.000 -9.295) 11.431 4.458 ( -3.256 0.000 -8.302) 8.918 4.839 ( -9.604 0.000 -7.417) 12.135 5.051 ( -3.218 0.000 2.225) 3.912 5.807 ( 6.973 -0.000 7.706) 10.392 6.264 ( -0.046 0.000 7.005) 7.005 6.844 ( 3.823 -0.000 7.371) 8.303 7.589 ( -29.399 0.000 21.876) 36.645 7.808 ( -0.087 0.000 -2.152) 2.153 7.898 ( -9.831 0.000 -3.082) 10.303 8.671 ( -4.544 0.000 -10.207) 11.173 9.182 ( -4.096 0.000 -7.673) 8.697 10.010 ( 6.486 -0.000 4.420) 7.849 10.730 ( -4.742 0.000 1.266) 4.908 10.942 ( 9.988 -0.000 4.057) 10.781 11.057 ( -8.871 0.000 -6.036) 10.730 11.868 ( 6.443 -0.000 -3.541) 7.352 11.940 ( -6.874 0.000 4.228) 8.070 12.808 ( 9.474 -0.000 16.226) 18.790 13.683 ( -4.552 0.000 -3.768) 5.909 14.412 ( -1.439 0.000 -12.186) 12.271 15.900 ( 1.414 -0.000 -2.951) 3.272 16.301 ( 5.341 -0.000 -0.833) 5.406 16.367 ( -5.661 0.000 7.291) 9.231 17.211 ( 14.803 -0.000 -12.202) 19.183 17.299 ( -10.391 0.000 1.508) 10.499 18.314 ( -0.095 0.000 5.447) 5.447 18.625 ( -0.676 0.000 0.743) 1.005 ======================= Grid point 140 (60/337) ======================= q-point: (-0.60 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -8.240 5.621 -4.872) 11.101 2.225 ( -2.699 5.840 -3.838) 7.491 2.561 ( -12.806 0.396 4.945) 13.733 2.824 ( -5.171 3.554 -1.849) 6.541 2.971 ( -10.354 -8.873 -7.098) 15.373 3.183 ( 6.633 -1.909 12.606) 14.372 3.712 ( 5.780 2.949 5.622) 8.586 3.960 ( -0.342 11.120 4.193) 11.889 4.173 ( -2.613 -0.718 -9.674) 10.046 4.377 ( -3.357 -13.634 -5.570) 15.106 4.664 ( -9.433 -2.028 -1.959) 9.845 4.994 ( -5.229 -0.279 -1.624) 5.483 5.975 ( 8.770 3.313 4.628) 10.455 6.297 ( -1.864 0.088 2.592) 3.194 6.988 ( 5.568 2.309 5.707) 8.301 7.388 ( -33.595 -3.019 18.415) 38.430 7.724 ( -3.514 2.662 -2.104) 4.885 7.852 ( -2.271 -6.072 0.644) 6.515 8.536 ( -1.083 -2.654 -8.083) 8.576 9.021 ( -5.322 0.061 -7.908) 9.532 10.121 ( 2.649 -1.747 2.869) 4.278 10.594 ( -2.782 18.007 1.533) 18.285 10.773 ( -16.613 -0.615 -4.820) 17.309 11.271 ( 14.397 -11.717 3.549) 18.899 11.870 ( -3.111 3.307 0.679) 4.591 11.952 ( 4.025 -4.462 -1.255) 6.138 13.108 ( 6.288 3.259 19.131) 20.400 13.599 ( -2.844 -4.328 -4.734) 7.016 14.276 ( 0.921 -1.159 -12.726) 12.812 15.914 ( 5.183 1.157 -1.822) 5.614 16.335 ( -1.888 3.448 2.983) 4.935 16.387 ( 1.781 -2.153 1.534) 3.188 17.153 ( -12.317 -0.329 -0.038) 12.322 17.294 ( 14.248 -0.717 -8.668) 16.693 18.361 ( -1.925 -0.551 4.706) 5.114 18.609 ( -1.398 1.201 0.110) 1.846 ======================= Grid point 141 (61/337) ======================= q-point: (-0.50 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -8.282 13.107 -2.918) 15.777 1.955 ( -11.791 16.999 -2.781) 20.874 2.532 ( -2.681 2.047 2.321) 4.094 2.697 ( -10.945 -4.745 0.773) 11.955 2.904 ( -4.799 -12.154 -3.625) 13.561 3.376 ( 6.199 2.991 5.834) 9.023 3.720 ( -1.678 15.631 5.778) 16.749 3.919 ( 3.008 2.419 0.643) 3.913 4.082 ( -1.174 -3.111 -5.039) 6.037 4.454 ( -1.173 -11.573 -0.920) 11.669 4.567 ( -9.072 -5.714 2.981) 11.129 4.930 ( -3.407 -6.634 -1.768) 7.664 6.080 ( 7.377 5.830 1.234) 9.484 6.292 ( -1.058 -0.506 0.242) 1.198 6.998 ( -6.974 5.514 1.200) 8.972 7.222 ( -24.031 -4.134 19.639) 31.309 7.701 ( 1.728 -5.006 -1.550) 5.518 7.881 ( -2.477 -3.754 1.828) 4.855 8.510 ( 2.118 -3.754 -3.162) 5.346 8.883 ( -4.681 -3.027 -5.473) 7.812 10.186 ( 0.098 -2.471 2.528) 3.537 10.394 ( -2.065 22.276 0.776) 22.385 10.516 ( -13.768 0.358 -2.893) 14.073 11.595 ( 11.536 -6.967 4.264) 14.135 11.808 ( -2.413 -1.174 -0.015) 2.684 12.042 ( 3.248 -7.050 -0.908) 7.816 13.339 ( 2.697 4.957 17.538) 18.424 13.548 ( -2.012 -5.686 -10.004) 11.682 14.182 ( 3.169 -1.723 -8.847) 9.555 15.971 ( 8.180 2.418 -1.968) 8.754 16.288 ( -2.236 3.047 -0.197) 3.785 16.462 ( 1.650 -1.483 3.983) 4.559 16.970 ( -13.969 -1.008 -1.150) 14.052 17.412 ( 13.534 -0.575 -5.476) 14.611 18.378 ( -3.018 -0.486 3.544) 4.680 18.574 ( -1.424 1.247 -0.668) 2.007 ======================= Grid point 142 (62/337) ======================= q-point: (-0.40 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -6.159 18.611 1.121) 19.635 1.631 ( -8.438 20.263 1.677) 22.013 2.405 ( -2.911 13.817 -2.440) 14.330 2.654 ( -8.262 -7.590 3.195) 11.665 2.976 ( -1.199 -14.499 1.808) 14.660 3.432 ( 5.490 8.697 0.293) 10.289 3.616 ( -5.841 9.928 5.151) 12.618 3.957 ( 4.371 -0.662 -2.242) 4.957 4.071 ( -0.709 -3.758 -1.397) 4.071 4.428 ( -6.828 2.480 6.306) 9.620 4.671 ( 0.987 -16.570 1.977) 16.716 4.990 ( -2.217 -11.535 3.291) 12.199 6.096 ( 3.878 7.162 -1.843) 8.350 6.294 ( 1.946 -1.302 -1.983) 3.069 6.827 ( -15.020 0.930 4.593) 15.734 7.200 ( -13.861 -0.697 15.970) 21.158 7.786 ( 4.043 -3.915 -0.249) 5.634 7.892 ( -3.640 -6.492 0.789) 7.485 8.568 ( 2.234 -1.220 3.084) 3.999 8.854 ( -0.566 -8.980 -1.454) 9.114 10.167 ( -0.943 23.599 1.118) 23.644 10.243 ( -1.339 -2.561 2.986) 4.155 10.341 ( -7.237 1.301 -0.462) 7.367 11.654 ( -1.080 8.933 2.175) 9.257 11.971 ( 7.067 -16.577 1.657) 18.096 12.135 ( 0.307 -8.361 0.333) 8.373 13.298 ( -2.609 5.937 -24.677) 25.515 13.561 ( 1.388 -3.692 15.114) 15.621 14.229 ( 4.749 -3.922 2.704) 6.726 16.019 ( 6.576 5.526 -3.550) 9.294 16.238 ( 2.295 1.514 -3.361) 4.342 16.532 ( -3.601 -1.932 6.731) 7.874 16.787 ( -10.491 -1.023 -1.340) 10.626 17.537 ( 10.526 -0.117 -2.304) 10.776 18.373 ( -2.842 -0.310 2.336) 3.692 18.532 ( -1.225 0.585 -2.793) 3.105 ======================= Grid point 143 (63/337) ======================= q-point: (-0.30 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 1.586 19.645 7.538) 21.101 1.443 ( 0.587 20.267 7.145) 21.497 2.236 ( 1.527 18.964 2.897) 19.244 2.667 ( -2.697 -5.804 1.886) 6.672 3.135 ( 0.095 -13.467 4.672) 14.254 3.407 ( 3.000 10.159 0.489) 10.604 3.496 ( -8.639 1.301 0.328) 8.742 3.973 ( -0.588 -5.932 -6.277) 8.657 4.095 ( 2.281 0.094 1.591) 2.782 4.464 ( 1.686 1.899 11.184) 11.468 4.856 ( 0.684 -14.320 2.822) 14.612 5.109 ( -3.995 -10.518 6.861) 13.178 6.021 ( -0.601 7.445 -3.587) 8.286 6.320 ( 5.004 -1.696 -5.254) 7.451 6.712 ( -9.578 0.301 5.861) 11.233 7.206 ( -14.354 -2.256 16.857) 22.255 7.815 ( -0.349 2.432 1.283) 2.771 7.961 ( 0.741 -12.854 -1.386) 12.950 8.653 ( 0.880 -0.211 7.652) 7.705 8.990 ( 3.917 -11.203 3.770) 12.453 9.947 ( -1.334 26.382 2.231) 26.510 10.271 ( 2.529 1.208 1.173) 3.039 10.332 ( -1.628 -5.275 5.008) 7.454 11.574 ( -2.070 8.680 1.997) 9.145 12.135 ( -6.841 -11.140 -3.340) 13.493 12.235 ( 4.196 -9.206 2.619) 10.450 12.842 ( -2.034 16.449 -27.066) 31.738 13.811 ( 4.159 -16.139 3.316) 16.993 14.434 ( 5.478 -6.117 14.884) 16.999 15.933 ( -0.665 9.487 -6.128) 11.314 16.269 ( 9.004 -0.987 -5.932) 10.827 16.515 ( -14.423 -4.417 8.220) 17.178 16.724 ( 2.877 2.000 -0.510) 3.541 17.643 ( 5.448 -0.007 1.631) 5.687 18.368 ( -1.788 -0.808 1.727) 2.614 18.447 ( -1.482 2.496 -7.428) 7.975 ======================= Grid point 144 (64/337) ======================= q-point: (-0.20 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 6.716 17.400 11.603) 21.966 1.486 ( 12.689 15.976 13.270) 24.338 2.229 ( 9.931 15.676 10.469) 21.306 2.718 ( 1.574 -4.123 0.326) 4.426 3.272 ( -5.189 -5.335 4.126) 8.510 3.377 ( 1.375 -2.511 -7.694) 8.209 3.399 ( -3.224 0.085 8.050) 8.672 3.900 ( -5.863 -7.420 -8.434) 12.671 4.157 ( 6.089 1.947 0.290) 6.399 4.670 ( 7.177 -0.492 11.263) 13.364 4.988 ( -0.133 -10.006 1.601) 10.135 5.213 ( -7.006 -8.359 10.123) 14.881 5.876 ( -5.901 6.238 -2.939) 9.076 6.291 ( 1.589 1.327 -10.373) 10.578 6.685 ( -4.151 1.711 6.768) 8.122 7.252 ( -11.803 -3.776 18.991) 22.677 7.816 ( -0.741 -0.952 2.490) 2.767 8.076 ( 3.130 -11.617 -2.269) 12.243 8.777 ( 1.337 -0.808 10.353) 10.470 9.189 ( 2.332 -8.677 5.996) 10.802 9.723 ( -1.687 26.053 3.609) 26.356 10.363 ( 4.348 -0.897 4.320) 6.195 10.457 ( 4.998 -6.212 5.468) 9.668 11.489 ( -3.120 7.478 1.294) 8.206 11.928 ( -7.357 9.559 -13.000) 17.734 12.373 ( -1.125 -9.151 2.120) 9.461 12.485 ( 0.442 8.863 -12.385) 15.236 13.960 ( 0.761 -16.742 -8.841) 18.948 14.843 ( 7.089 -18.657 19.520) 27.917 15.735 ( -2.574 10.948 -7.076) 13.287 16.319 ( 4.159 -3.325 -6.230) 8.196 16.468 ( -10.457 -3.701 8.256) 13.828 16.763 ( 8.978 4.326 -2.741) 10.336 17.719 ( -1.347 -0.519 5.881) 6.056 18.274 ( -0.762 8.070 -10.318) 13.121 18.386 ( 0.731 -1.224 0.847) 1.658 ======================= Grid point 145 (65/337) ======================= q-point: (-0.10 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 9.474 13.907 13.197) 21.385 1.727 ( 13.627 13.689 17.359) 25.970 2.471 ( 17.882 3.540 11.711) 21.667 2.783 ( 1.218 -4.790 0.244) 4.949 3.195 ( -7.915 -0.354 -0.662) 7.951 3.330 ( 0.406 -3.936 -5.879) 7.087 3.553 ( 2.378 -4.458 7.815) 9.306 3.780 ( -5.231 -4.895 -7.226) 10.176 4.233 ( 8.147 1.843 -0.804) 8.391 4.786 ( 2.154 4.136 -1.727) 4.973 5.108 ( 1.797 -9.664 0.571) 9.847 5.317 ( -7.119 -5.828 16.098) 18.541 5.705 ( -10.710 2.710 1.060) 11.099 6.101 ( -3.552 6.673 -12.463) 14.577 6.706 ( -2.666 2.901 8.035) 8.949 7.369 ( -9.065 -3.090 20.005) 22.179 7.870 ( -0.853 -6.635 2.179) 7.035 8.203 ( 5.940 -8.650 -1.986) 10.679 8.922 ( 0.877 0.085 10.791) 10.827 9.296 ( -3.346 -3.733 2.864) 5.774 9.563 ( 1.937 20.317 6.705) 21.483 10.448 ( -3.131 -4.858 4.582) 7.376 10.696 ( 12.137 -3.249 4.764) 13.437 11.372 ( -3.126 6.636 -2.321) 7.694 11.671 ( 5.395 13.828 -6.168) 16.074 12.323 ( -5.086 1.351 -5.638) 7.712 12.412 ( -4.614 -4.776 1.180) 6.745 13.962 ( -1.939 -12.335 -10.513) 16.323 15.239 ( -2.288 -15.835 5.211) 16.827 15.586 ( 4.000 2.880 -1.022) 5.034 16.297 ( -5.347 -4.725 -1.147) 7.227 16.456 ( -6.772 -1.810 4.202) 8.173 16.839 ( 16.550 4.142 -7.581) 18.669 17.723 ( -9.244 1.143 6.561) 11.393 18.111 ( 6.392 10.940 -7.061) 14.505 18.431 ( 1.679 -2.424 1.238) 3.198 ======================= Grid point 150 (66/337) ======================= q-point: ( 0.40 -0.60 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -5.606 0.000 -3.199) 6.455 2.127 ( -11.616 0.000 -0.973) 11.656 2.529 ( -0.793 0.000 6.080) 6.131 2.666 ( -12.931 0.000 -3.902) 13.506 2.763 ( -3.952 0.000 -4.794) 6.213 3.393 ( 5.857 -0.000 8.071) 9.972 3.863 ( 4.941 -0.000 4.880) 6.944 4.036 ( 1.148 -0.000 -7.061) 7.154 4.137 ( 0.761 -0.000 6.475) 6.520 4.154 ( -5.853 0.000 -4.325) 7.277 4.550 ( -8.575 0.000 5.083) 9.968 4.864 ( -6.384 0.000 -4.734) 7.948 6.134 ( 7.181 -0.000 1.088) 7.263 6.287 ( -1.510 0.000 0.341) 1.548 7.036 ( -19.143 0.000 4.732) 19.719 7.208 ( -9.886 0.000 16.873) 19.556 7.632 ( -2.645 0.000 -3.384) 4.296 7.859 ( -0.047 0.000 3.036) 3.036 8.472 ( 3.305 -0.000 -3.344) 4.702 8.859 ( -6.070 0.000 -5.919) 8.478 10.162 ( 0.350 -0.000 2.528) 2.552 10.504 ( -13.243 0.000 -4.852) 14.104 10.651 ( -4.084 0.000 2.792) 4.947 11.458 ( 13.902 -0.000 3.588) 14.358 11.854 ( -5.001 0.000 2.924) 5.793 11.957 ( 4.750 -0.000 -3.894) 6.142 13.399 ( 2.108 -0.000 16.510) 16.645 13.481 ( -1.215 0.000 -6.936) 7.042 14.167 ( 2.805 -0.000 -9.263) 9.679 15.991 ( 8.817 -0.000 -2.731) 9.230 16.319 ( -2.789 0.000 -0.800) 2.901 16.446 ( 1.257 -0.000 5.233) 5.382 16.962 ( -13.262 0.000 -1.933) 13.402 17.407 ( 13.823 -0.000 -5.311) 14.808 18.374 ( -3.091 0.000 3.978) 5.037 18.585 ( -1.778 0.000 -1.180) 2.134 ======================= Grid point 152 (67/337) ======================= q-point: (-0.50 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -3.422 9.608 -0.044) 10.199 1.924 ( -9.182 10.614 1.112) 14.078 2.508 ( -7.124 -1.683 -1.916) 7.566 2.584 ( 1.079 1.332 -1.858) 2.528 2.734 ( -1.969 -10.285 4.238) 11.297 3.484 ( 1.505 0.297 -1.426) 2.094 3.927 ( 0.041 16.684 6.233) 17.811 3.952 ( -1.747 3.673 -2.648) 4.853 4.027 ( 3.492 -1.150 -1.941) 4.158 4.340 ( -0.572 -18.793 4.852) 19.418 4.512 ( -7.411 4.620 9.591) 12.971 4.795 ( -2.129 -8.784 -0.867) 9.079 6.188 ( 3.709 2.940 -2.468) 5.338 6.276 ( 1.308 -0.681 -2.065) 2.538 6.804 ( -23.915 -1.659 10.275) 26.082 7.269 ( -3.961 5.524 10.457) 12.472 7.629 ( 1.043 -8.283 -1.622) 8.504 7.877 ( -1.316 0.654 1.921) 2.419 8.546 ( 5.398 -0.963 3.679) 6.603 8.750 ( -3.443 -2.810 -2.273) 4.992 10.197 ( -0.875 -1.315 3.482) 3.824 10.320 ( -5.621 0.398 -3.836) 6.816 10.571 ( -3.228 13.780 3.693) 14.627 11.695 ( 6.822 -11.012 2.586) 13.209 11.797 ( -3.021 6.147 2.311) 7.229 12.008 ( 2.821 -5.739 -0.744) 6.438 13.378 ( 0.841 2.947 -12.436) 12.808 13.502 ( -3.742 -2.540 4.269) 6.219 14.187 ( 5.007 -1.097 3.270) 6.080 16.076 ( 9.952 1.309 -4.956) 11.194 16.266 ( -0.652 1.152 -2.879) 3.168 16.506 ( -5.504 -0.818 7.630) 9.443 16.778 ( -7.480 -0.155 -2.718) 7.960 17.536 ( 10.554 -0.041 -1.886) 10.721 18.368 ( -3.377 -0.158 2.899) 4.454 18.539 ( -1.203 0.235 -3.052) 3.289 ======================= Grid point 153 (68/337) ======================= q-point: (-0.40 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 1.247 15.521 4.582) 16.231 1.769 ( 0.458 15.343 3.573) 15.760 2.417 ( -0.358 2.349 -4.353) 4.959 2.587 ( 0.299 -3.690 1.397) 3.957 2.907 ( 1.320 -10.462 7.572) 12.982 3.414 ( -3.630 -2.165 -8.211) 9.234 3.758 ( -4.699 19.182 5.432) 20.483 3.911 ( -1.853 -0.004 -4.282) 4.666 4.098 ( 4.788 0.096 2.116) 5.235 4.526 ( -0.378 3.515 11.163) 11.709 4.557 ( -0.723 -17.443 5.890) 18.425 4.912 ( -0.532 -11.385 5.447) 12.633 6.132 ( -0.443 4.768 -5.025) 6.941 6.292 ( 5.397 -1.382 -5.188) 7.613 6.675 ( -15.620 -3.122 10.839) 19.267 7.252 ( -7.247 6.326 10.872) 14.516 7.733 ( 1.543 -12.213 -0.950) 12.347 7.857 ( -1.848 1.883 0.981) 2.815 8.644 ( -1.107 -0.843 6.386) 6.536 8.834 ( 6.816 -5.956 5.885) 10.797 10.244 ( -1.791 -2.299 4.681) 5.514 10.264 ( 3.888 2.389 -2.136) 5.039 10.425 ( -2.481 19.317 4.798) 20.058 11.705 ( -4.016 4.534 -0.058) 6.057 11.881 ( -1.849 -13.078 2.466) 13.436 12.110 ( 2.530 -5.827 2.706) 6.905 13.104 ( -2.054 13.460 -19.114) 23.468 13.554 ( 0.813 -13.275 -3.084) 13.653 14.359 ( 3.718 -2.563 12.242) 13.049 16.072 ( 2.476 5.966 -7.159) 9.642 16.246 ( 5.005 -1.416 -5.388) 7.489 16.456 ( -12.813 -2.309 6.615) 14.603 16.753 ( 4.663 1.187 0.200) 4.816 17.643 ( 4.745 -0.068 1.990) 5.146 18.354 ( -2.889 -0.599 1.765) 3.438 18.478 ( 0.470 1.135 -5.941) 6.066 ======================= Grid point 154 (69/337) ======================= q-point: (-0.30 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 6.726 15.870 8.459) 19.200 1.768 ( 11.247 15.058 7.361) 20.184 2.387 ( 4.456 2.362 -1.330) 5.216 2.664 ( 2.643 -2.316 2.209) 4.151 3.100 ( 1.333 -10.166 5.928) 11.843 3.274 ( -6.157 -6.034 -9.146) 12.569 3.609 ( -4.131 16.425 7.839) 18.662 3.816 ( -2.892 -1.166 -6.861) 7.536 4.189 ( 5.322 1.529 2.883) 6.243 4.685 ( 5.808 2.060 12.779) 14.187 4.752 ( -1.208 -16.465 3.691) 16.917 5.058 ( -2.839 -8.991 8.032) 12.386 5.983 ( -5.177 5.486 -6.028) 9.656 6.296 ( 3.734 -0.351 -8.627) 9.407 6.671 ( -5.698 -2.894 8.521) 10.652 7.242 ( -8.227 2.943 14.839) 17.220 7.798 ( -4.239 -3.671 0.523) 5.632 7.883 ( 4.753 -7.565 -0.894) 8.979 8.733 ( -0.018 -3.673 7.895) 8.708 9.075 ( 5.763 -4.042 10.550) 12.683 10.176 ( -1.297 22.122 2.249) 22.274 10.313 ( -2.447 -2.421 6.258) 7.142 10.419 ( 10.809 1.556 3.180) 11.374 11.597 ( -5.719 3.716 -1.079) 6.905 11.920 ( -7.003 -7.173 -0.789) 10.056 12.217 ( -1.743 -6.821 4.056) 8.125 12.733 ( 0.151 16.292 -17.378) 23.821 13.661 ( 3.336 -16.696 -8.035) 18.827 14.607 ( 2.602 -8.809 15.330) 17.871 15.913 ( -2.084 8.845 -7.326) 11.672 16.257 ( 1.805 -3.632 -6.397) 7.575 16.419 ( -5.687 -1.934 5.849) 8.384 16.826 ( 8.480 2.769 -1.081) 8.986 17.710 ( -2.012 -0.489 6.113) 6.454 18.334 ( -2.628 -0.468 -1.025) 2.860 18.405 ( 3.846 3.158 -6.931) 8.533 ======================= Grid point 155 (70/337) ======================= q-point: (-0.20 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 8.772 14.767 9.622) 19.687 1.963 ( 16.706 12.452 11.487) 23.793 2.474 ( 8.039 -3.046 0.871) 8.640 2.719 ( -0.919 -2.304 0.978) 2.666 3.114 ( -5.741 -6.322 -6.955) 11.014 3.276 ( 1.841 -6.591 -1.069) 6.926 3.574 ( 0.167 7.904 12.066) 14.425 3.718 ( -1.660 -0.207 -4.813) 5.095 4.280 ( 6.419 2.744 2.214) 7.324 4.832 ( 2.342 -0.281 1.252) 2.671 4.921 ( 2.609 -10.149 2.897) 10.872 5.197 ( -4.420 -7.521 14.552) 16.966 5.772 ( -9.763 4.477 -4.309) 11.572 6.179 ( -2.024 2.625 -11.770) 12.227 6.732 ( -1.563 -0.395 7.145) 7.324 7.326 ( -6.666 -1.135 18.129) 19.349 7.778 ( -3.323 -3.813 0.469) 5.079 8.034 ( 7.201 -9.790 -0.897) 12.186 8.877 ( 1.555 -4.607 8.058) 9.412 9.252 ( 0.010 -0.840 8.419) 8.461 9.977 ( -1.751 24.536 5.070) 25.115 10.356 ( -6.060 -4.303 5.526) 9.262 10.666 ( 17.126 -0.742 4.688) 17.771 11.458 ( -6.829 2.485 -2.874) 7.815 11.830 ( -3.468 3.254 -2.634) 5.436 12.253 ( -8.016 -6.616 2.825) 10.771 12.477 ( 2.414 10.472 -9.431) 14.298 13.733 ( 2.293 -13.238 -9.501) 16.455 14.918 ( 1.448 -16.473 12.460) 20.705 15.731 ( -0.128 9.736 -6.206) 11.546 16.219 ( -2.591 -4.223 -4.613) 6.769 16.430 ( -3.827 -1.158 3.655) 5.418 16.908 ( 12.282 3.443 -4.542) 13.540 17.730 ( -7.818 0.030 8.356) 11.443 18.257 ( 2.484 4.814 -6.358) 8.353 18.400 ( 3.367 -0.362 -1.809) 3.839 ======================= Grid point 156 (71/337) ======================= q-point: (-0.10 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 10.159 11.739 8.649) 17.772 2.200 ( 11.405 11.305 13.796) 21.170 2.645 ( 3.799 -10.555 0.167) 11.219 2.699 ( -4.516 -5.229 -2.157) 7.238 3.049 ( -2.111 -6.492 -3.832) 7.829 3.279 ( 2.285 0.908 -5.739) 6.243 3.683 ( 0.426 -1.119 -0.363) 1.251 3.725 ( 5.860 4.100 11.469) 13.516 4.362 ( 5.187 2.651 2.296) 6.261 4.806 ( 3.059 4.555 -7.099) 8.973 5.006 ( -2.432 -8.083 -1.756) 8.621 5.402 ( -1.411 -5.065 14.889) 15.790 5.572 ( -11.908 0.752 0.522) 11.943 5.967 ( -4.264 3.923 -9.602) 11.215 6.784 ( -1.937 1.846 7.059) 7.549 7.456 ( -9.438 -2.303 20.661) 22.831 7.785 ( -1.873 -5.997 -1.303) 6.417 8.224 ( 8.579 -8.479 -0.113) 12.062 9.011 ( 0.973 -3.017 5.050) 5.963 9.262 ( -5.568 2.670 2.280) 6.583 9.857 ( 1.736 18.784 8.659) 20.757 10.338 ( -9.440 -6.240 1.846) 11.465 10.938 ( 14.080 3.328 4.189) 15.062 11.339 ( -2.928 0.240 -1.769) 3.430 11.768 ( 2.308 3.491 -0.218) 4.191 12.176 ( -8.908 -1.256 -0.834) 9.034 12.379 ( -0.443 3.285 -1.303) 3.562 13.754 ( 0.934 -8.782 -7.248) 11.425 15.120 ( -2.751 -8.515 0.013) 8.948 15.653 ( 3.899 0.964 -0.530) 4.051 16.171 ( -3.011 -4.485 -3.163) 6.260 16.406 ( -5.827 0.377 3.319) 6.716 16.999 ( 15.147 2.535 -7.938) 17.288 17.678 ( -9.982 2.780 6.371) 12.164 18.213 ( 5.047 4.978 -2.479) 7.510 18.443 ( 2.664 -2.511 -0.491) 3.694 ======================= Grid point 162 (72/337) ======================= q-point: (-0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 2.002 0.000 3.122) 3.709 1.914 ( -1.259 -0.000 2.241) 2.571 2.471 ( 2.447 0.000 1.355) 2.798 2.476 ( -2.656 -0.000 -7.049) 7.533 2.821 ( 2.663 -0.000 9.965) 10.315 3.393 ( -5.107 -0.000 -8.626) 10.024 3.870 ( -2.885 -0.000 -6.338) 6.964 4.094 ( 5.076 -0.000 1.164) 5.207 4.141 ( 1.847 0.000 7.249) 7.481 4.222 ( -5.706 -0.000 5.363) 7.830 4.620 ( -4.854 -0.000 16.866) 17.550 4.765 ( 4.510 -0.000 1.601) 4.785 6.178 ( -0.256 -0.000 -5.768) 5.773 6.277 ( 5.465 -0.000 -5.125) 7.492 6.642 ( -17.422 -0.000 12.787) 21.611 7.347 ( -6.538 -0.000 9.760) 11.747 7.589 ( 2.376 0.000 -1.550) 2.837 7.875 ( -1.825 -0.000 0.840) 2.009 8.633 ( -2.714 -0.000 4.940) 5.637 8.783 ( 8.774 -0.000 7.518) 11.554 10.220 ( -1.971 -0.000 4.968) 5.345 10.276 ( 4.043 -0.000 -2.146) 4.577 10.640 ( -2.483 -0.000 4.226) 4.902 11.666 ( -4.166 -0.000 -0.855) 4.253 11.825 ( -2.635 -0.000 3.485) 4.369 12.046 ( 4.018 0.000 3.189) 5.130 13.327 ( 6.938 0.000 -12.235) 14.066 13.332 ( -9.206 -0.000 -9.106) 12.949 14.337 ( 3.294 -0.000 11.459) 11.923 16.130 ( 6.309 -0.000 -8.090) 10.259 16.229 ( 0.964 0.000 -4.777) 4.874 16.434 ( -12.212 -0.000 6.244) 13.716 16.764 ( 5.089 -0.000 0.499) 5.113 17.642 ( 4.478 -0.000 2.108) 4.949 18.349 ( -3.205 -0.000 1.735) 3.645 18.488 ( 0.960 -0.000 -5.470) 5.554 ======================= Grid point 164 (73/337) ======================= q-point: (-0.40 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 6.109 8.999 6.325) 12.582 1.971 ( 9.218 6.093 3.341) 11.544 2.383 ( 0.076 -0.570 -3.975) 4.017 2.606 ( 8.315 -3.799 1.541) 9.271 2.965 ( 0.594 -4.147 8.251) 9.254 3.194 ( -8.396 -2.507 -10.318) 13.537 3.750 ( -3.487 0.554 -6.161) 7.101 4.007 ( -2.440 19.480 4.544) 20.151 4.211 ( 5.140 1.262 4.305) 6.822 4.418 ( -0.524 -20.085 6.056) 20.985 4.749 ( 1.186 4.561 15.315) 16.024 4.907 ( 2.417 -7.342 5.421) 9.441 6.055 ( -4.618 2.291 -7.768) 9.322 6.287 ( 5.245 -0.413 -8.302) 9.829 6.619 ( -7.769 -2.004 11.507) 14.027 7.329 ( -8.482 5.076 11.852) 15.433 7.654 ( 2.984 -7.483 -1.200) 8.145 7.853 ( -1.489 0.260 0.421) 1.569 8.675 ( -0.717 -2.103 6.430) 6.803 9.036 ( 7.723 -0.850 13.014) 15.157 10.247 ( -4.510 -1.338 5.736) 7.418 10.379 ( 13.025 0.930 -0.219) 13.060 10.607 ( -1.047 12.898 5.386) 14.017 11.567 ( -10.653 -5.607 -2.721) 12.342 11.831 ( -2.437 -0.971 2.857) 3.878 12.135 ( -0.783 -2.537 4.755) 5.446 13.007 ( -5.433 13.243 -13.160) 19.444 13.386 ( 7.754 -13.167 -10.623) 18.610 14.510 ( 0.584 -2.578 12.443) 12.720 16.038 ( -2.106 4.711 -6.880) 8.601 16.195 ( 1.645 -2.846 -7.288) 7.995 16.397 ( -3.892 -0.613 5.095) 6.441 16.859 ( 8.213 0.941 -0.233) 8.270 17.704 ( -2.366 -0.199 6.267) 6.701 18.321 ( -2.805 -0.498 0.204) 2.856 18.446 ( 4.430 1.190 -7.383) 8.693 ======================= Grid point 165 (74/337) ======================= q-point: (-0.30 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 7.229 11.830 7.854) 15.934 2.146 ( 16.901 7.545 6.040) 19.469 2.391 ( 1.870 -5.562 -2.477) 6.369 2.710 ( 1.661 1.428 -1.076) 2.441 3.016 ( -5.025 -4.213 -7.253) 9.778 3.122 ( 3.794 -9.141 3.670) 10.555 3.640 ( -4.176 0.093 -2.395) 4.815 3.889 ( -0.221 16.173 6.383) 17.389 4.319 ( 5.525 1.574 3.882) 6.934 4.640 ( 0.789 -15.393 4.006) 15.925 4.898 ( 5.465 2.298 4.977) 7.741 5.065 ( -1.920 -7.016 12.862) 14.777 5.846 ( -8.808 3.352 -7.878) 12.283 6.206 ( -0.917 0.719 -11.143) 11.203 6.699 ( -1.566 -2.503 8.518) 9.016 7.340 ( -7.406 2.355 15.630) 17.456 7.720 ( 0.169 -3.385 -1.164) 3.584 7.888 ( 4.282 -5.755 0.208) 7.177 8.793 ( 1.812 -4.035 7.410) 8.630 9.254 ( 2.537 0.523 11.191) 11.487 10.228 ( -8.243 -0.098 4.169) 9.238 10.463 ( 1.556 18.492 5.207) 19.274 10.662 ( 15.491 0.642 5.111) 16.325 11.429 ( -11.431 -6.158 -3.415) 13.426 11.828 ( -2.701 -1.222 0.765) 3.062 12.162 ( -6.272 -3.447 3.943) 8.171 12.696 ( -2.866 12.388 -10.321) 16.377 13.506 ( 8.984 -11.716 -9.038) 17.311 14.696 ( -0.103 -8.400 11.753) 14.447 15.888 ( -0.836 7.542 -5.649) 9.460 16.146 ( -0.336 -3.970 -7.986) 8.925 16.415 ( -2.590 -0.534 3.954) 4.757 16.955 ( 10.352 1.877 -3.030) 10.948 17.729 ( -6.999 -0.026 9.456) 11.765 18.283 ( -1.852 -0.515 -2.062) 2.818 18.425 ( 6.569 2.087 -6.799) 9.682 ======================= Grid point 166 (75/337) ======================= q-point: (-0.20 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 7.521 10.579 5.359) 14.042 2.350 ( 5.386 3.927 6.566) 9.356 2.487 ( 6.776 -5.621 -0.589) 8.823 2.624 ( -4.975 -3.486 -4.120) 7.340 2.966 ( 0.428 -1.380 -2.314) 2.728 3.274 ( 8.414 -2.314 -3.154) 9.279 3.618 ( -2.349 -3.671 4.522) 6.281 3.866 ( 1.741 9.449 7.559) 12.226 4.409 ( 4.161 2.383 2.588) 5.449 4.781 ( 2.209 -7.663 -1.354) 8.089 4.937 ( 1.704 0.936 -2.283) 2.998 5.292 ( 0.419 -6.659 16.135) 17.460 5.603 ( -11.225 2.269 -4.877) 12.448 6.013 ( -4.933 1.512 -12.360) 13.394 6.786 ( -2.253 -1.397 7.758) 8.199 7.424 ( -8.910 -1.268 18.207) 20.310 7.724 ( 1.147 -0.849 -1.328) 1.949 8.055 ( 8.693 -9.789 -0.124) 13.093 8.939 ( 2.476 -4.118 5.521) 7.319 9.323 ( -3.247 3.407 4.515) 6.522 10.121 ( -9.050 4.040 2.424) 10.203 10.359 ( -4.198 14.708 6.888) 16.775 10.968 ( 17.273 0.102 6.474) 18.446 11.303 ( -8.733 -4.802 -2.558) 10.289 11.807 ( 0.100 0.984 -0.385) 1.061 12.125 ( -9.024 -3.491 3.167) 10.180 12.487 ( -1.951 7.631 -5.234) 9.457 13.615 ( 7.513 -6.709 -6.278) 11.869 14.910 ( 0.267 -12.209 7.775) 14.477 15.756 ( 1.921 8.076 -6.649) 10.636 16.092 ( -0.814 -4.573 -5.860) 7.477 16.413 ( -4.122 0.410 3.543) 5.451 17.041 ( 12.034 2.011 -5.849) 13.530 17.721 ( -9.271 2.122 9.621) 13.529 18.248 ( 0.228 -0.887 -2.279) 2.457 18.431 ( 5.675 1.179 -4.553) 7.371 ======================= Grid point 167 (76/337) ======================= q-point: (-0.10 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 4.520 3.663 -2.156) 6.204 2.362 ( -15.198 -7.003 4.200) 17.253 2.480 ( -0.251 -2.823 -1.882) 3.402 2.751 ( 13.752 2.038 2.995) 14.221 2.959 ( -0.468 -0.765 -2.032) 2.221 3.346 ( 7.914 4.754 0.793) 9.266 3.681 ( -0.888 -1.247 1.960) 2.487 3.916 ( -0.496 0.369 4.831) 4.871 4.433 ( -1.187 1.372 1.034) 2.088 4.811 ( 7.338 0.759 -7.974) 10.863 4.928 ( 0.897 0.315 -0.412) 1.036 5.412 ( -10.551 -2.168 -0.338) 10.777 5.473 ( -2.738 -0.253 4.379) 5.171 5.858 ( -1.370 -3.581 -1.291) 4.045 6.832 ( -4.016 -0.118 6.799) 7.898 7.511 ( -12.758 -3.278 19.467) 23.505 7.746 ( 2.261 -0.058 0.205) 2.271 8.260 ( 8.096 -8.711 -0.658) 11.911 9.018 ( -0.585 -1.977 -0.663) 2.165 9.234 ( -4.959 5.258 -0.340) 7.236 9.998 ( -9.665 -1.907 0.558) 9.868 10.256 ( -3.130 12.487 5.733) 14.092 11.188 ( 5.896 5.402 1.091) 8.071 11.256 ( -1.233 -6.282 3.416) 7.256 11.826 ( 3.659 1.489 1.374) 4.182 12.056 ( -8.102 -0.764 2.148) 8.417 12.396 ( -1.357 1.325 1.078) 2.182 13.693 ( 6.041 -2.051 -2.711) 6.932 15.027 ( 0.449 -3.912 -3.670) 5.383 15.672 ( 1.560 -0.247 -4.353) 4.631 16.086 ( 1.094 -3.753 -1.997) 4.390 16.384 ( -4.167 1.493 3.433) 5.602 17.115 ( 12.677 1.488 -8.211) 15.176 17.650 ( -9.908 4.890 6.700) 12.922 18.264 ( 1.075 -1.713 1.264) 2.385 18.451 ( 3.413 -0.817 -2.751) 4.459 ======================= Grid point 174 (77/337) ======================= q-point: (-0.40 0.60 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 6.784 -0.000 7.766) 10.312 2.212 ( 15.650 -0.000 4.253) 16.218 2.321 ( -0.884 0.000 -3.686) 3.791 2.738 ( 5.410 -0.000 -5.102) 7.437 2.987 ( 0.292 -0.000 -4.243) 4.253 3.012 ( -1.550 0.000 5.567) 5.779 3.640 ( -4.014 0.000 -3.859) 5.568 4.101 ( -4.921 0.000 2.384) 5.468 4.336 ( 3.886 -0.000 4.800) 6.175 4.436 ( 6.502 -0.000 8.470) 10.678 4.944 ( 3.789 -0.000 -0.468) 3.818 4.974 ( 0.108 -0.000 17.996) 17.996 5.877 ( -8.394 0.000 -9.182) 12.441 6.212 ( -0.503 0.000 -10.935) 10.947 6.672 ( -1.822 0.000 9.553) 9.726 7.372 ( -9.996 0.000 14.792) 17.852 7.676 ( 7.215 -0.000 -2.239) 7.554 7.841 ( -0.378 0.000 0.746) 0.836 8.754 ( 2.023 -0.000 7.477) 7.746 9.260 ( 3.416 -0.000 11.879) 12.360 10.215 ( -8.474 0.000 4.706) 9.693 10.621 ( 18.492 -0.000 2.963) 18.728 10.729 ( -0.096 0.000 6.583) 6.584 11.328 ( -14.344 0.000 -2.580) 14.574 11.819 ( -1.617 0.000 0.627) 1.734 12.131 ( -5.734 0.000 4.121) 7.062 12.831 ( -9.172 0.000 -9.268) 13.039 13.380 ( 15.446 -0.000 -9.369) 18.065 14.622 ( -1.049 0.000 10.935) 10.985 15.970 ( -2.050 0.000 -2.858) 3.517 16.097 ( 1.563 -0.000 -11.624) 11.729 16.411 ( -2.230 0.000 4.129) 4.693 16.972 ( 9.780 -0.000 -2.556) 10.109 17.729 ( -6.676 0.000 9.889) 11.932 18.275 ( -2.703 0.000 -1.376) 3.033 18.446 ( 6.995 -0.000 -7.682) 10.389 ======================= Grid point 176 (78/337) ======================= q-point: (-0.30 0.60 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -0.143 5.817 1.686) 6.058 2.313 ( -0.123 -4.256 4.677) 6.325 2.490 ( 13.987 2.980 0.168) 14.302 2.562 ( -4.830 -3.566 -7.894) 9.917 3.014 ( 3.346 5.298 0.846) 6.323 3.193 ( 14.828 -5.810 0.732) 15.943 3.575 ( -4.273 -1.143 2.761) 5.214 4.014 ( -6.299 5.673 3.214) 9.066 4.440 ( 4.252 0.942 2.833) 5.196 4.647 ( 6.479 -5.397 5.092) 9.851 4.959 ( 2.235 0.787 -2.498) 3.443 5.197 ( 1.972 -3.235 15.699) 16.150 5.636 ( -10.806 1.136 -8.095) 13.549 6.028 ( -5.528 0.311 -13.188) 14.303 6.756 ( -2.750 -1.238 8.953) 9.447 7.411 ( -10.118 -0.242 16.258) 19.151 7.744 ( 6.853 2.306 -2.637) 7.696 7.906 ( 5.523 -6.054 0.976) 8.253 8.885 ( 3.434 -1.677 6.611) 7.636 9.368 ( -1.479 1.380 5.095) 5.482 10.112 ( -12.697 -1.124 1.731) 12.864 10.699 ( -1.945 17.971 6.885) 19.343 10.941 ( 14.178 -3.855 6.645) 16.125 11.174 ( -8.705 -7.766 -1.107) 11.718 11.814 ( 0.922 0.103 0.160) 0.941 12.079 ( -8.189 -1.380 3.311) 8.940 12.600 ( -8.191 3.887 -6.384) 11.089 13.528 ( 14.806 -2.744 -5.385) 15.992 14.750 ( -0.008 -4.952 9.412) 10.636 15.894 ( 1.477 7.138 -7.407) 10.393 16.005 ( 0.677 -5.423 -8.090) 9.763 16.419 ( -3.305 0.179 3.874) 5.096 17.065 ( 10.565 0.733 -4.933) 11.683 17.750 ( -8.251 0.995 12.078) 14.661 18.220 ( -2.512 -1.295 -2.578) 3.826 18.456 ( 6.903 0.954 -6.660) 9.640 ======================= Grid point 177 (79/337) ======================= q-point: (-0.20 -0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -7.676 -2.247 -6.300) 10.181 2.237 ( -17.805 -5.580 -4.097) 19.103 2.481 ( 6.780 1.801 3.959) 8.055 2.793 ( 16.637 1.902 3.397) 17.087 3.015 ( 4.702 5.963 -1.686) 7.779 3.409 ( 11.601 1.615 1.027) 11.757 3.627 ( -0.470 -4.523 6.553) 7.977 3.912 ( -8.693 0.416 0.939) 8.754 4.460 ( -1.890 1.324 -0.891) 2.473 4.792 ( 6.460 -1.502 -0.669) 6.666 4.966 ( 5.010 2.357 -0.924) 5.614 5.362 ( -6.530 -2.860 -0.757) 7.168 5.468 ( -2.036 -0.322 6.992) 7.289 5.800 ( -5.974 -2.540 -9.982) 11.907 6.812 ( -5.524 -1.597 8.333) 10.125 7.463 ( -11.973 -1.997 17.567) 21.353 7.780 ( 6.511 3.559 -1.661) 7.604 8.090 ( 9.073 -9.336 0.165) 13.019 8.989 ( 0.898 -1.161 1.697) 2.244 9.319 ( -3.837 3.733 -1.096) 5.464 9.934 ( -15.263 -3.114 -1.963) 15.701 10.560 ( -3.914 18.804 7.089) 20.474 11.091 ( -8.033 -10.292 1.724) 13.169 11.271 ( 11.102 1.780 6.016) 12.752 11.855 ( 4.052 1.427 1.809) 4.661 12.032 ( -6.203 -1.473 4.254) 7.664 12.414 ( -7.463 0.597 -2.676) 7.951 13.684 ( 12.415 0.623 -1.744) 12.552 14.909 ( 2.335 -7.170 4.525) 8.794 15.727 ( 1.675 4.495 -14.296) 15.080 16.026 ( 2.614 -2.949 -0.600) 3.986 16.407 ( -3.449 0.987 3.364) 4.918 17.136 ( 10.772 0.889 -6.939) 12.844 17.739 ( -9.522 4.789 10.862) 15.218 18.192 ( -1.975 -4.999 -0.800) 5.434 18.463 ( 5.013 1.205 -4.933) 7.136 ======================= Grid point 178 (80/337) ======================= q-point: (-0.10 -0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -10.000 -8.755 -12.336) 18.134 2.012 ( -21.600 -11.298 -0.591) 24.383 2.599 ( 7.600 4.942 3.855) 9.851 2.986 ( 4.710 5.527 -3.089) 7.891 2.999 ( 7.929 4.701 4.795) 10.390 3.509 ( -0.620 2.444 5.051) 5.645 3.694 ( 3.202 3.745 -2.146) 5.375 3.792 ( -11.529 -6.526 -0.774) 13.271 4.387 ( -3.878 -0.570 -1.537) 4.210 4.853 ( 7.717 0.953 -4.553) 9.011 5.030 ( 6.905 4.405 1.373) 8.305 5.238 ( -7.282 -1.877 -4.536) 8.782 5.418 ( -6.214 1.615 -2.094) 6.753 5.863 ( 5.058 -9.595 6.984) 12.900 6.821 ( -7.700 -1.729 6.855) 10.454 7.517 ( -12.435 -2.437 17.774) 21.828 7.822 ( 2.889 2.909 2.261) 4.682 8.279 ( 6.772 -6.765 -1.120) 9.637 8.920 ( -5.575 -0.464 -7.462) 9.327 9.241 ( 0.148 5.597 -0.702) 5.643 9.735 ( -14.314 -7.383 -4.137) 16.628 10.444 ( -1.846 15.167 5.557) 16.258 11.078 ( -7.601 -8.053 1.310) 11.151 11.395 ( 1.673 4.115 3.923) 5.926 11.898 ( -2.542 1.549 3.650) 4.710 12.045 ( 3.592 2.957 3.464) 5.801 12.378 ( -2.732 -6.301 5.716) 8.935 13.818 ( 10.753 4.515 1.613) 11.773 14.973 ( 4.861 0.667 -10.767) 11.832 15.594 ( 0.381 -3.161 -7.651) 8.287 16.091 ( 2.186 -1.709 1.891) 3.358 16.395 ( -0.734 1.402 1.982) 2.537 17.187 ( 10.496 0.694 -8.358) 13.435 17.647 ( -10.340 7.909 7.302) 14.926 18.242 ( -1.997 -7.904 3.695) 8.951 18.458 ( 2.470 0.881 -3.244) 4.171 ======================= Grid point 186 (81/337) ======================= q-point: (-0.30 -0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -13.477 0.000 -3.234) 13.860 2.186 ( -16.376 0.000 -10.100) 19.240 2.502 ( 8.102 -0.000 5.766) 9.944 2.810 ( 17.805 -0.000 2.892) 18.039 3.093 ( 6.810 -0.000 -1.914) 7.074 3.408 ( 15.293 -0.000 -0.229) 15.294 3.574 ( -4.439 0.000 8.707) 9.773 3.923 ( -10.178 0.000 -0.434) 10.187 4.473 ( -2.112 0.000 -1.887) 2.832 4.777 ( 6.770 -0.000 3.078) 7.437 4.989 ( 5.662 -0.000 -0.743) 5.711 5.332 ( -3.078 0.000 -0.665) 3.149 5.465 ( -2.890 0.000 7.276) 7.829 5.777 ( -8.409 0.000 -13.250) 15.693 6.795 ( -6.044 0.000 9.131) 10.950 7.445 ( -11.657 0.000 16.869) 20.505 7.835 ( 9.281 -0.000 -5.268) 10.672 7.983 ( 7.628 -0.000 2.913) 8.165 8.979 ( 1.660 -0.000 2.693) 3.164 9.354 ( -3.114 0.000 -1.511) 3.461 9.906 ( -16.351 0.000 -1.667) 16.436 10.862 ( -3.201 0.000 7.624) 8.269 10.874 ( -10.285 0.000 1.188) 10.354 11.281 ( 10.489 -0.000 6.975) 12.597 11.868 ( 4.596 -0.000 2.538) 5.250 12.018 ( -4.811 0.000 4.330) 6.472 12.418 ( -10.777 0.000 -4.246) 11.583 13.694 ( 15.352 -0.000 -1.394) 15.415 14.837 ( 2.394 -0.000 6.833) 7.241 15.776 ( 1.902 -0.000 -19.386) 19.479 15.995 ( 3.335 -0.000 1.989) 3.883 16.416 ( -3.217 0.000 3.412) 4.690 17.144 ( 10.121 -0.000 -6.550) 12.055 17.790 ( -8.968 0.000 14.162) 16.763 18.137 ( -3.195 0.000 -3.402) 4.667 18.475 ( 5.302 -0.000 -5.518) 7.652 ======================= Grid point 187 (82/337) ======================= q-point: (-0.20 -0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -17.175 -2.533 -7.983) 19.108 1.855 ( -20.756 -5.698 -5.978) 22.339 2.668 ( 8.312 2.208 4.382) 9.652 3.014 ( 10.228 0.490 -1.551) 10.357 3.167 ( 8.020 9.931 1.569) 12.861 3.473 ( -7.676 -6.802 -3.978) 11.000 3.633 ( -5.553 -2.981 7.883) 10.092 3.826 ( 3.791 3.802 -2.094) 5.763 4.378 ( -4.632 -0.362 -2.911) 5.483 4.869 ( 4.929 0.572 -0.627) 5.002 5.078 ( 6.703 1.202 0.518) 6.829 5.195 ( -5.596 -1.756 -4.182) 7.204 5.496 ( -5.701 5.895 -6.568) 10.507 5.692 ( 4.564 -8.580 8.300) 12.780 6.794 ( -9.142 -0.964 8.204) 12.321 7.487 ( -12.849 -0.951 19.390) 23.280 7.872 ( 7.097 2.278 -5.088) 9.025 8.160 ( 9.213 -4.887 2.177) 10.654 8.922 ( -6.432 0.293 -7.220) 9.673 9.316 ( 1.908 2.442 -0.522) 3.143 9.650 ( -16.812 -2.340 -4.040) 17.448 10.697 ( -5.877 12.033 3.388) 13.813 10.934 ( -6.607 -8.001 3.955) 11.104 11.422 ( -1.014 -0.172 5.835) 5.925 11.954 ( -0.439 3.604 5.426) 6.528 12.074 ( 4.224 0.231 6.262) 7.556 12.272 ( -5.874 -4.332 0.187) 7.300 13.890 ( 14.132 2.681 2.108) 14.538 14.944 ( 5.958 -2.077 -2.199) 6.682 15.581 ( 2.610 0.455 -18.190) 18.382 16.071 ( 2.547 -0.537 2.992) 3.966 16.413 ( -0.869 0.566 1.788) 2.067 17.196 ( 9.603 0.243 -7.772) 12.356 17.792 ( -10.138 7.134 12.862) 17.863 18.090 ( -3.676 -7.458 -0.458) 8.327 18.475 ( 2.842 0.623 -3.753) 4.748 ======================= Grid point 188 (83/337) ======================= q-point: (-0.10 -0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -17.494 -8.727 -10.146) 22.026 1.587 ( -23.763 -11.715 -1.409) 26.532 2.780 ( 7.515 4.406 1.714) 8.878 2.940 ( -24.137 3.715 -7.938) 25.679 3.086 ( 2.527 -0.665 -0.964) 2.785 3.479 ( 5.574 -1.484 2.471) 6.275 3.619 ( -7.323 -0.271 2.067) 7.614 3.812 ( 2.881 5.996 -4.176) 7.854 4.359 ( 2.926 0.590 1.296) 3.254 4.891 ( -1.320 -0.080 0.468) 1.403 5.054 ( -1.114 3.341 -8.308) 9.023 5.216 ( 6.513 -1.613 2.258) 7.080 5.351 ( 0.168 2.278 -2.359) 3.284 5.950 ( 7.135 -9.034 7.045) 13.497 6.755 ( -10.944 -2.024 7.282) 13.300 7.548 ( -13.110 -0.477 21.145) 24.884 7.883 ( 1.465 1.048 -1.026) 2.073 8.320 ( 5.864 -1.295 -0.012) 6.005 8.716 ( -6.213 -2.353 -10.448) 12.382 9.297 ( 0.165 5.675 -1.706) 5.928 9.443 ( -10.621 -6.222 -3.441) 12.781 10.562 ( -3.992 10.835 2.012) 11.721 10.923 ( -8.402 -5.593 1.353) 10.184 11.418 ( -6.072 0.124 3.668) 7.094 11.901 ( -7.993 4.168 7.653) 11.824 12.231 ( 9.316 3.134 5.615) 11.320 12.370 ( 0.424 -9.796 8.560) 13.016 14.072 ( 12.719 6.932 4.598) 15.198 14.889 ( 9.644 4.619 -27.949) 29.924 15.493 ( 0.748 -5.576 -3.106) 6.427 16.129 ( -0.393 -0.632 3.619) 3.695 16.430 ( 3.433 0.720 -0.790) 3.596 17.229 ( 8.817 0.347 -8.133) 12.000 17.679 ( -10.594 11.905 8.330) 17.982 18.165 ( -3.753 -12.325 6.112) 14.260 18.457 ( 0.216 1.023 -1.678) 1.977 ======================= Grid point 197 (84/337) ======================= q-point: (-0.20 -0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -23.133 0.000 -5.114) 23.692 1.454 ( -22.355 0.000 -5.778) 23.090 2.820 ( 6.416 -0.000 0.620) 6.446 2.983 ( -32.113 0.000 -11.440) 34.090 3.078 ( 2.590 -0.000 -0.989) 2.772 3.448 ( 14.435 -0.000 2.822) 14.708 3.626 ( -6.453 0.000 5.034) 8.184 3.872 ( 1.251 -0.000 -6.060) 6.188 4.365 ( 6.691 -0.000 0.926) 6.755 4.891 ( -4.091 0.000 2.436) 4.761 5.111 ( -1.932 0.000 -2.372) 3.059 5.143 ( 6.850 -0.000 -4.111) 7.989 5.416 ( 2.795 -0.000 -4.592) 5.376 5.847 ( 6.143 -0.000 9.201) 11.063 6.736 ( -11.891 0.000 8.047) 14.358 7.545 ( -14.218 0.000 24.416) 28.254 7.888 ( 4.591 -0.000 -7.121) 8.473 8.299 ( 9.000 -0.000 2.713) 9.400 8.699 ( -8.537 0.000 -11.539) 14.354 9.367 ( -15.264 0.000 -4.308) 15.860 9.374 ( 4.315 -0.000 -0.603) 4.357 10.686 ( -5.770 0.000 1.001) 5.856 10.854 ( -6.932 0.000 2.559) 7.389 11.411 ( -7.459 0.000 4.905) 8.927 11.968 ( -14.535 0.000 13.127) 19.585 12.220 ( 5.631 -0.000 6.011) 8.236 12.292 ( 8.852 -0.000 2.544) 9.210 14.140 ( 14.047 -0.000 5.005) 14.912 14.925 ( 11.361 -0.000 -24.552) 27.053 15.446 ( 1.968 -0.000 -8.749) 8.967 16.124 ( -0.758 0.000 3.967) 4.038 16.436 ( 3.368 -0.000 -0.976) 3.507 17.232 ( 9.069 -0.000 -8.267) 12.272 17.874 ( -10.928 0.000 18.261) 21.281 17.966 ( -4.712 0.000 -1.842) 5.060 18.467 ( 0.245 -0.000 -1.768) 1.785 ======================= Grid point 198 (85/337) ======================= q-point: (-0.10 -0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -23.087 -4.877 -4.524) 24.026 1.144 ( -25.922 -9.555 1.049) 27.647 2.301 ( -43.294 -4.173 -12.757) 45.327 2.922 ( 5.956 3.536 0.170) 6.929 3.082 ( -2.876 -1.548 1.190) 3.476 3.549 ( -4.084 1.475 -1.264) 4.522 3.662 ( 9.728 3.228 1.828) 10.412 3.756 ( -1.581 -0.554 -7.408) 7.595 4.495 ( 8.375 4.378 0.317) 9.456 4.823 ( -9.920 0.382 2.860) 10.331 5.021 ( 0.563 3.540 -2.948) 4.641 5.297 ( 12.625 -7.092 -0.679) 14.497 5.418 ( 4.466 5.836 -1.886) 7.587 6.041 ( 5.814 -6.382 5.013) 9.983 6.665 ( -12.855 -1.349 8.728) 15.597 7.651 ( -14.099 2.651 29.582) 32.877 7.857 ( -1.204 -1.242 -2.884) 3.364 8.401 ( 2.836 4.864 -1.551) 5.840 8.514 ( -1.274 -6.133 -6.724) 9.189 9.155 ( -10.415 -3.383 -2.997) 11.354 9.406 ( 3.491 2.751 -1.500) 4.691 10.589 ( -4.791 7.415 0.279) 8.833 10.777 ( -8.391 -3.081 -0.266) 8.943 11.354 ( -7.909 -0.550 3.373) 8.616 11.962 ( -10.516 2.656 21.323) 23.923 12.385 ( 1.430 -9.758 7.996) 12.696 12.453 ( 9.334 2.556 3.899) 10.434 14.359 ( 12.050 5.828 4.479) 14.115 14.626 ( 13.105 3.787 -54.920) 56.589 15.460 ( 0.443 -4.467 3.225) 5.527 16.139 ( -2.541 -0.686 2.403) 3.564 16.482 ( 5.946 0.301 -2.049) 6.297 17.258 ( 8.448 0.743 -7.910) 11.597 17.762 ( -9.522 16.502 7.936) 20.639 18.080 ( -4.729 -15.936 12.817) 20.990 18.446 ( -2.290 0.490 1.245) 2.652 ======================= Grid point 208 (86/337) ======================= q-point: (-0.10 -0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -26.260 0.000 1.783) 26.320 0.783 ( -28.465 0.000 9.339) 29.957 1.505 ( -52.032 0.000 -4.699) 52.244 3.011 ( 5.082 -0.000 -0.991) 5.177 3.012 ( -6.976 0.000 0.959) 7.042 3.501 ( -1.401 0.000 -1.585) 2.116 3.613 ( -5.715 0.000 -1.334) 5.868 3.851 ( 13.073 -0.000 -2.456) 13.301 4.533 ( -0.516 0.000 -10.936) 10.949 4.707 ( -10.639 0.000 1.001) 10.686 5.094 ( 6.749 -0.000 4.453) 8.086 5.448 ( 13.599 -0.000 0.268) 13.601 5.485 ( 3.881 -0.000 -0.978) 4.002 6.106 ( 2.345 -0.000 2.160) 3.188 6.593 ( -13.001 0.000 11.403) 17.293 7.781 ( -2.091 0.000 -3.540) 4.111 7.947 ( -8.549 0.000 50.004) 50.729 8.363 ( -0.693 0.000 -3.050) 3.127 8.504 ( 3.375 -0.000 -1.035) 3.530 8.999 ( -6.025 0.000 -0.767) 6.073 9.449 ( 3.314 -0.000 -1.502) 3.638 10.584 ( -2.900 0.000 0.069) 2.901 10.644 ( -6.997 0.000 -0.280) 7.003 11.285 ( -7.033 0.000 2.940) 7.623 12.161 ( -5.910 0.000 28.435) 29.043 12.401 ( 1.348 -0.000 1.832) 2.275 12.627 ( 5.806 -0.000 6.410) 8.648 13.967 ( 1.815 -0.000 -84.233) 84.253 14.580 ( 8.635 -0.000 2.600) 9.018 15.484 ( -0.498 0.000 3.933) 3.964 16.107 ( -2.081 0.000 -1.279) 2.443 16.547 ( 5.296 -0.000 -0.610) 5.331 17.299 ( 9.897 -0.000 -7.695) 12.536 17.807 ( -6.860 0.000 2.009) 7.148 18.148 ( 0.496 -0.000 20.085) 20.091 18.449 ( -4.789 0.000 9.565) 10.697 ======================= Grid point 209 (87/337) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -1.714 0.000 22.123) 22.189 1.115 ( 9.049 -0.000 24.595) 26.207 1.861 ( -8.303 0.000 36.602) 37.532 2.809 ( -0.793 0.000 -2.851) 2.959 3.251 ( 5.045 -0.000 6.925) 8.568 3.541 ( 1.292 -0.000 2.928) 3.200 3.704 ( -9.362 0.000 -9.698) 13.480 3.845 ( 11.583 -0.000 -9.727) 15.125 4.228 ( -8.351 0.000 -10.385) 13.327 4.692 ( 4.801 -0.000 2.790) 5.553 5.169 ( 7.351 -0.000 1.305) 7.466 5.753 ( 2.957 -0.000 -2.287) 3.738 5.812 ( -4.910 0.000 9.789) 10.951 5.947 ( -5.687 0.000 -1.565) 5.899 6.956 ( -16.867 0.000 19.098) 25.480 7.888 ( 6.370 -0.000 5.543) 8.444 8.123 ( -32.127 0.000 6.539) 32.785 8.406 ( -13.342 0.000 -3.020) 13.679 8.822 ( 0.674 -0.000 18.102) 18.114 9.060 ( -0.082 0.000 7.466) 7.466 9.486 ( 1.207 -0.000 -1.343) 1.806 10.428 ( 26.818 -0.000 5.749) 27.428 10.457 ( 0.162 -0.000 -2.968) 2.972 10.924 ( -4.535 0.000 12.808) 13.588 11.263 ( -4.866 0.000 2.589) 5.512 12.415 ( -2.688 0.000 0.136) 2.691 12.743 ( -4.837 0.000 1.727) 5.136 14.350 ( -0.826 0.000 -15.918) 15.940 15.347 ( 7.517 -0.000 -3.553) 8.315 15.619 ( 30.862 -0.000 2.928) 31.001 15.869 ( 4.822 -0.000 -7.729) 9.109 16.538 ( -0.298 0.000 -6.991) 6.998 17.430 ( 11.178 -0.000 -0.173) 11.180 17.537 ( -31.955 0.000 -2.180) 32.029 17.817 ( -4.538 0.000 6.142) 7.637 18.483 ( -3.841 0.000 3.234) 5.021 ======================= Grid point 210 (88/337) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 4.707 -5.393 20.167) 21.399 1.530 ( 10.379 -2.582 21.759) 24.245 2.285 ( 12.931 -2.281 26.567) 29.635 2.805 ( 4.770 0.697 -2.131) 5.271 3.322 ( -10.394 -0.345 4.011) 11.146 3.465 ( 1.472 9.651 -8.309) 12.819 3.607 ( 2.424 -5.012 0.593) 5.599 3.880 ( -5.971 -1.708 -3.372) 7.067 4.031 ( 9.451 2.630 -12.225) 15.675 4.671 ( -4.049 -1.862 -3.251) 5.516 5.273 ( 4.153 4.209 2.326) 6.354 5.672 ( -4.158 1.967 -5.162) 6.914 5.835 ( -6.494 0.378 10.209) 12.106 5.901 ( -8.646 -4.341 4.845) 10.820 6.936 ( -16.601 -0.318 18.565) 24.907 7.903 ( -21.538 3.181 23.440) 31.991 8.035 ( 6.666 4.094 5.519) 9.574 8.262 ( -0.644 2.174 -7.459) 7.796 9.017 ( -1.426 -0.752 15.330) 15.414 9.205 ( 1.683 -6.945 10.017) 12.304 9.450 ( -1.472 1.989 -2.531) 3.539 10.452 ( 4.548 0.326 0.598) 4.598 10.878 ( 13.669 -9.157 -0.783) 16.471 11.003 ( 5.657 6.854 12.451) 15.297 11.260 ( -3.002 -8.241 2.029) 9.002 12.356 ( -5.129 0.478 -0.945) 5.237 12.659 ( -8.536 2.041 1.843) 8.968 14.129 ( -0.842 5.063 -15.525) 16.352 15.257 ( -7.324 -3.911 -6.799) 10.731 15.793 ( 11.404 13.915 -4.320) 18.503 16.122 ( 28.725 -5.644 -9.119) 30.662 16.444 ( -0.157 -3.160 -9.368) 9.887 17.076 ( -27.540 11.799 9.900) 31.554 17.610 ( 2.374 -12.328 -1.301) 12.621 17.862 ( 0.327 0.027 7.145) 7.152 18.489 ( 0.198 1.004 2.181) 2.409 ======================= Grid point 211 (89/337) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 6.773 -6.046 15.800) 18.223 1.943 ( 11.712 -4.775 18.723) 22.595 2.708 ( 16.451 6.044 5.323) 18.317 2.887 ( 7.095 0.542 4.219) 8.272 3.119 ( -10.497 -0.802 -4.864) 11.597 3.344 ( -1.092 8.073 -2.652) 8.567 3.635 ( -8.963 0.992 -9.921) 13.407 3.736 ( 1.013 -5.172 5.704) 7.766 4.163 ( 15.372 -1.590 -2.692) 15.687 4.602 ( -4.014 -3.838 -3.027) 6.325 5.239 ( -2.807 6.783 -0.515) 7.359 5.547 ( -6.046 -2.974 -5.039) 8.414 5.812 ( -9.222 2.808 6.328) 11.531 5.926 ( -4.965 -1.605 11.787) 12.891 6.941 ( -14.022 -2.053 17.325) 22.383 7.938 ( -13.468 3.690 27.252) 30.621 8.017 ( -1.772 9.191 -3.824) 10.111 8.246 ( 5.927 0.415 -0.249) 5.946 9.114 ( -3.300 0.678 6.550) 7.366 9.326 ( -4.531 0.673 -0.359) 4.595 9.492 ( 3.987 -10.928 10.381) 15.591 10.555 ( 2.462 -2.528 3.878) 5.243 10.870 ( -3.854 6.506 1.918) 7.801 11.189 ( 4.955 -5.589 -1.801) 7.683 11.491 ( 13.980 -8.027 9.429) 18.676 12.241 ( -7.901 0.604 -2.669) 8.362 12.536 ( -9.794 2.482 3.212) 10.602 13.912 ( 0.471 7.467 -11.729) 13.912 15.094 ( -8.658 -5.279 -9.467) 13.873 15.787 ( 9.018 10.369 -2.115) 13.903 16.225 ( 4.486 4.162 -10.323) 12.001 16.516 ( 18.140 -8.072 -11.103) 22.748 16.793 ( -20.279 7.675 12.338) 24.947 17.670 ( -4.459 -8.196 -0.411) 9.340 17.998 ( 6.284 -1.717 6.164) 8.968 18.507 ( 1.791 2.455 0.935) 3.179 ======================= Grid point 212 (90/337) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 6.881 -4.398 8.572) 11.839 2.340 ( 11.626 -4.816 13.783) 18.664 2.681 ( -0.337 6.083 -8.977) 10.849 2.918 ( -6.386 11.404 3.385) 13.502 3.089 ( 9.022 -3.195 -1.628) 9.709 3.188 ( -6.417 10.978 -3.745) 13.256 3.569 ( 4.472 -8.136 -1.579) 9.418 3.854 ( -1.935 -8.257 6.286) 10.556 4.361 ( 13.184 -2.549 -1.019) 13.467 4.550 ( -1.350 -1.849 -5.007) 5.506 5.093 ( -6.307 7.227 -1.862) 9.771 5.439 ( -8.314 -4.987 -3.551) 10.324 5.713 ( -9.449 4.024 5.063) 11.451 6.019 ( -0.630 3.242 11.390) 11.860 6.979 ( -12.174 -3.969 15.926) 20.436 7.842 ( -4.140 7.229 -4.695) 9.562 8.050 ( -11.906 4.483 28.014) 30.767 8.312 ( 3.861 1.497 0.060) 4.141 9.064 ( -4.524 0.598 -3.630) 5.831 9.238 ( -5.058 1.193 -0.683) 5.241 9.802 ( 3.515 -14.152 12.773) 19.385 10.498 ( -11.065 9.151 0.733) 14.377 10.900 ( 6.927 -5.362 1.327) 8.859 11.282 ( 3.205 -6.251 0.032) 7.025 11.815 ( 8.133 0.312 8.856) 12.028 12.102 ( -6.530 -2.225 -1.839) 7.140 12.451 ( -6.113 1.085 5.761) 8.470 13.753 ( 1.773 7.211 -7.306) 10.417 14.907 ( -7.653 -5.770 -12.217) 15.528 15.797 ( 6.105 8.302 -0.854) 10.340 16.122 ( 2.410 2.476 -7.990) 8.705 16.580 ( -8.867 3.305 4.499) 10.478 16.747 ( 12.022 -3.286 -5.761) 13.730 17.654 ( -6.239 -5.415 0.706) 8.291 18.170 ( 5.955 -2.739 5.115) 8.314 18.511 ( 2.308 4.039 -0.197) 4.656 ======================= Grid point 213 (91/337) ======================= q-point: (-0.60 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 3.445 1.494 -2.781) 4.673 2.494 ( -3.551 1.062 -3.245) 4.926 2.583 ( -9.079 4.306 4.738) 11.110 2.813 ( 9.054 5.053 2.737) 10.724 2.988 ( -5.188 4.751 0.081) 7.035 3.284 ( 12.509 -3.945 1.620) 13.216 3.635 ( -3.334 -4.314 -0.539) 5.479 3.971 ( -3.465 -7.503 4.821) 9.568 4.439 ( -3.776 2.087 -4.399) 6.162 4.553 ( 13.527 -4.180 -6.861) 15.733 4.947 ( -3.640 3.833 -0.160) 5.288 5.314 ( -11.672 -3.394 -1.356) 12.231 5.616 ( -5.924 5.357 4.104) 8.980 6.092 ( 2.502 7.014 6.989) 10.213 7.032 ( -11.732 -4.273 15.154) 19.635 7.699 ( -3.253 3.976 -1.879) 5.470 8.155 ( -12.399 3.648 25.899) 28.945 8.314 ( -1.333 0.863 -1.110) 1.937 8.935 ( -5.047 -1.188 -7.387) 9.025 9.148 ( -3.421 0.818 -2.848) 4.526 10.086 ( -0.607 -9.475 10.932) 14.480 10.222 ( -11.135 9.184 -2.188) 14.599 11.086 ( 7.697 -8.131 1.358) 11.279 11.352 ( -2.063 -2.045 0.980) 3.066 11.868 ( -0.912 -1.027 1.910) 2.353 12.084 ( -5.934 -0.352 4.574) 7.501 12.536 ( 4.250 0.295 11.782) 12.528 13.681 ( 4.434 3.189 -3.806) 6.657 14.709 ( -5.597 -5.782 -16.163) 18.056 15.766 ( 1.628 7.342 -1.337) 7.638 16.102 ( 5.983 1.619 -2.461) 6.668 16.478 ( -8.617 2.850 4.398) 10.086 16.874 ( 13.957 -3.199 -9.482) 17.174 17.621 ( -7.068 -5.294 1.254) 8.919 18.315 ( 3.685 -2.267 4.896) 6.534 18.492 ( 2.185 5.618 -1.008) 6.112 ======================= Grid point 214 (92/337) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -6.354 10.045 -7.846) 14.243 2.215 ( -20.738 7.829 -2.107) 22.266 2.602 ( 5.421 -0.150 2.882) 6.142 2.899 ( 1.601 -2.003 2.358) 3.484 3.057 ( 5.657 -0.804 5.141) 7.686 3.489 ( 7.429 -6.115 -0.646) 9.643 3.571 ( -8.403 -1.488 1.476) 8.660 3.909 ( -12.730 3.938 1.338) 13.393 4.323 ( -0.711 -2.172 -6.918) 7.286 4.675 ( 10.045 -2.108 -5.572) 11.679 4.965 ( 3.592 -4.432 1.768) 5.973 5.149 ( -13.656 -1.280 -0.156) 13.717 5.552 ( -1.012 7.666 2.961) 8.280 6.128 ( 5.075 8.038 2.497) 9.828 7.062 ( -13.892 -1.910 15.543) 20.934 7.649 ( -0.692 0.068 0.775) 1.041 8.235 ( -18.261 2.982 24.247) 30.501 8.240 ( -0.641 -2.739 -4.441) 5.257 8.784 ( -4.685 1.089 -7.390) 8.818 9.090 ( -0.462 -3.805 -4.148) 5.648 9.888 ( -10.540 16.641 -0.720) 19.711 10.316 ( -2.298 -12.776 6.644) 14.583 11.208 ( -4.481 4.823 0.085) 6.584 11.304 ( -1.002 -10.162 -0.176) 10.213 11.982 ( 5.283 -8.747 2.047) 10.421 12.025 ( -7.337 2.363 6.364) 9.996 12.744 ( 3.980 6.015 17.174) 18.627 13.747 ( 8.976 -4.501 -1.792) 10.199 14.476 ( -4.109 -4.337 -21.682) 22.490 15.708 ( 0.853 6.942 0.258) 6.999 16.175 ( 5.565 1.280 2.462) 6.218 16.393 ( -4.034 1.587 -0.831) 4.413 16.968 ( 12.562 -2.006 -9.549) 15.906 17.588 ( -8.032 -6.997 1.756) 10.796 18.416 ( 1.678 -0.851 1.955) 2.713 18.455 ( 1.193 6.185 1.878) 6.573 ======================= Grid point 215 (93/337) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -13.872 12.162 -3.077) 18.704 1.815 ( -22.559 10.574 -1.071) 24.937 2.715 ( 4.400 -3.594 -0.294) 5.689 2.911 ( -16.489 3.982 5.657) 17.881 3.100 ( 1.245 0.714 1.050) 1.779 3.509 ( -1.620 -5.834 0.081) 6.055 3.571 ( -4.098 0.184 3.183) 5.192 3.732 ( -2.754 2.803 -2.455) 4.633 4.303 ( 2.004 -5.078 -5.057) 7.441 4.771 ( 8.882 -2.616 -2.523) 9.597 4.961 ( -13.993 -1.818 1.248) 14.166 5.122 ( 5.983 -7.534 0.168) 9.622 5.519 ( 4.079 10.622 1.948) 11.543 6.152 ( 6.444 6.892 -0.483) 9.448 7.037 ( -17.132 0.408 16.741) 23.957 7.684 ( 1.324 -2.273 2.102) 3.367 8.116 ( -11.012 -3.564 0.149) 11.576 8.310 ( -9.176 -2.545 15.631) 18.303 8.637 ( -2.502 4.296 -4.535) 6.729 9.110 ( 1.966 -7.866 -3.817) 8.962 9.612 ( -8.124 17.030 1.220) 18.908 10.427 ( -4.289 -9.656 3.494) 11.128 11.006 ( -14.219 2.220 -1.043) 14.429 11.406 ( 1.120 -5.032 -0.199) 5.159 11.976 ( -3.980 -1.679 4.709) 6.390 12.218 ( 7.525 -8.818 5.241) 12.722 12.908 ( 2.338 12.291 18.374) 22.229 13.901 ( 5.194 -10.512 -10.001) 15.411 14.205 ( 0.230 -1.295 -17.642) 17.691 15.680 ( 1.363 6.752 2.477) 7.320 16.236 ( -3.463 2.323 3.719) 5.587 16.351 ( 6.914 -0.132 -4.672) 8.346 17.037 ( 11.456 -0.529 -9.150) 14.671 17.572 ( -8.653 -10.229 2.524) 13.634 18.378 ( 2.104 6.452 -3.321) 7.555 18.511 ( -1.429 -0.277 7.767) 7.902 ======================= Grid point 216 (94/337) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -18.244 11.626 4.890) 22.179 1.404 ( -23.704 10.334 1.180) 25.886 2.433 ( -37.633 12.348 7.601) 40.330 2.860 ( 7.009 0.426 0.826) 7.070 3.132 ( -3.709 -0.198 2.089) 4.261 3.463 ( -6.356 -4.715 -1.269) 8.015 3.647 ( 6.512 -1.248 2.523) 7.094 3.706 ( 0.740 0.446 1.110) 1.406 4.318 ( 0.775 -7.214 -6.795) 9.941 4.801 ( -9.995 -1.172 -2.198) 10.301 4.922 ( 6.596 -6.216 2.215) 9.330 5.273 ( 6.001 -5.993 1.681) 8.646 5.526 ( 8.319 11.250 1.713) 14.097 6.165 ( 5.927 5.493 -2.824) 8.561 6.983 ( -18.685 0.750 18.421) 26.249 7.742 ( 0.378 -1.933 0.752) 2.108 8.056 ( -7.426 -8.554 5.254) 12.486 8.386 ( -7.472 -7.078 9.825) 14.230 8.560 ( 0.367 5.527 2.420) 6.044 9.170 ( 2.418 -4.315 -2.518) 5.550 9.409 ( -4.840 11.776 2.748) 13.025 10.454 ( -6.025 -6.423 1.122) 8.878 10.808 ( -13.993 -2.592 1.423) 14.302 11.392 ( -3.590 0.947 -1.562) 4.028 12.052 ( 3.154 -4.608 1.482) 5.777 12.434 ( 5.482 -6.959 3.249) 9.436 12.945 ( 2.830 17.278 -5.073) 18.228 13.686 ( -11.226 -1.481 -4.848) 12.317 14.299 ( 10.475 -8.531 -0.556) 13.521 15.670 ( 0.653 6.978 3.272) 7.735 16.145 ( -2.686 2.641 -5.386) 6.573 16.451 ( 7.417 -0.468 1.210) 7.530 17.085 ( 10.094 0.338 -8.125) 12.962 17.596 ( -8.233 -13.897 3.308) 16.487 18.312 ( 3.051 6.686 -4.074) 8.403 18.580 ( -2.738 -1.459 8.025) 8.604 ======================= Grid point 217 (95/337) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -18.358 12.059 12.387) 25.216 1.030 ( -24.020 8.645 6.955) 26.459 1.941 ( -39.386 13.189 23.539) 47.742 2.959 ( 3.462 -0.447 1.782) 3.919 3.044 ( -4.832 1.268 -1.884) 5.340 3.447 ( -0.054 -2.813 -0.686) 2.896 3.745 ( 10.942 0.935 -7.430) 13.259 3.818 ( -0.906 -5.052 16.409) 17.193 4.283 ( -2.865 -5.205 -5.110) 7.836 4.639 ( -9.376 -0.992 -4.807) 10.583 5.074 ( 6.509 -4.609 -2.114) 8.251 5.453 ( 5.977 -5.235 7.541) 10.954 5.587 ( 9.625 7.999 2.227) 12.711 6.145 ( 3.888 4.849 -4.948) 7.944 6.946 ( -18.080 -0.104 20.180) 27.095 7.740 ( -0.959 -0.810 -0.177) 1.268 8.210 ( 1.874 -13.450 8.050) 15.787 8.425 ( -5.696 -7.746 2.152) 9.852 8.648 ( 1.016 -3.485 13.009) 13.506 9.141 ( -1.558 10.051 2.652) 10.511 9.380 ( 1.642 -3.843 -0.091) 4.180 10.388 ( -11.526 -6.490 -2.315) 13.428 10.728 ( -9.067 -4.221 6.729) 12.054 11.272 ( -4.774 4.233 -7.678) 9.983 11.886 ( -9.224 24.386 -32.987) 42.047 12.437 ( -3.349 1.547 -4.799) 6.053 12.688 ( 0.361 -1.782 -0.911) 2.033 13.905 ( 9.578 -2.610 37.597) 38.886 14.476 ( 7.190 -7.334 -3.509) 10.854 15.633 ( -2.057 6.884 2.271) 7.535 16.024 ( 1.046 2.953 -8.825) 9.365 16.555 ( 4.740 -0.329 0.850) 4.827 17.140 ( 9.525 -0.944 -5.331) 10.956 17.661 ( -7.662 -15.802 3.555) 17.917 18.242 ( 3.589 7.049 -6.877) 10.482 18.624 ( -5.353 -2.877 4.034) 7.294 ======================= Grid point 218 (96/337) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -10.679 5.975 20.875) 24.197 0.872 ( -11.276 9.373 19.714) 24.569 1.726 ( -28.928 5.807 36.026) 46.567 2.888 ( -6.452 -0.159 -2.098) 6.786 3.105 ( 7.717 0.573 2.948) 8.281 3.483 ( 1.809 -1.251 1.557) 2.695 3.792 ( 9.895 -1.690 -10.093) 14.234 3.922 ( -7.185 -3.057 -3.850) 8.706 4.392 ( 5.523 -5.227 8.428) 11.352 4.467 ( -2.704 2.069 -0.685) 3.473 5.120 ( 3.672 -1.526 -4.934) 6.337 5.672 ( 3.682 -3.952 7.509) 9.250 5.692 ( 7.173 1.486 4.571) 8.634 6.067 ( -0.144 4.842 -5.781) 7.542 6.950 ( -16.127 -0.720 20.393) 26.009 7.770 ( 2.541 -0.929 2.885) 3.955 8.330 ( 0.597 -3.758 -7.722) 8.608 8.540 ( -7.659 -16.346 14.634) 23.238 8.795 ( -13.973 -10.368 1.623) 17.475 9.062 ( -4.570 8.032 3.888) 10.026 9.446 ( 2.845 -4.023 -0.630) 4.967 10.201 ( -10.532 -0.092 -0.518) 10.545 10.661 ( -1.970 25.576 -5.640) 26.264 10.880 ( -8.870 4.081 0.399) 9.772 11.341 ( -8.047 9.004 2.749) 12.385 12.427 ( -0.921 -1.643 0.688) 2.006 12.745 ( -0.703 -2.590 2.469) 3.647 14.462 ( 4.319 -9.690 -9.268) 14.087 14.741 ( 35.752 -2.429 25.020) 43.705 15.549 ( -4.778 3.583 0.519) 5.994 15.929 ( 4.088 3.797 -8.874) 10.482 16.589 ( 1.799 0.144 -3.090) 3.578 17.256 ( 10.188 -3.866 -1.646) 11.021 17.729 ( -8.742 -15.300 2.634) 17.817 18.056 ( -6.935 12.826 -10.885) 18.196 18.547 ( -10.659 -1.000 1.889) 10.871 ======================= Grid point 220 (97/337) ======================= q-point: ( 0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 335 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 7.997 -0.000 17.150) 18.923 1.898 ( 9.967 -0.000 20.728) 22.999 2.769 ( 21.253 -0.000 14.032) 25.467 2.886 ( 9.632 -0.000 -1.813) 9.801 3.106 ( -14.346 0.000 -4.048) 14.907 3.464 ( -6.306 0.000 -4.944) 8.013 3.605 ( 6.600 -0.000 -2.195) 6.956 3.686 ( -11.156 0.000 -5.460) 12.421 4.153 ( 16.149 -0.000 -4.231) 16.694 4.566 ( -4.746 0.000 -0.500) 4.772 5.311 ( -3.679 0.000 1.040) 3.823 5.509 ( -5.363 0.000 -10.341) 11.649 5.836 ( -9.675 0.000 6.760) 11.803 5.909 ( -5.361 0.000 16.783) 17.619 6.923 ( -14.866 0.000 17.320) 22.825 7.971 ( -14.378 0.000 26.916) 30.516 8.145 ( -2.308 0.000 -8.731) 9.031 8.205 ( 4.261 -0.000 5.072) 6.625 9.120 ( -3.791 0.000 8.248) 9.078 9.349 ( 4.880 -0.000 11.809) 12.777 9.380 ( -3.277 0.000 -3.871) 5.072 10.521 ( 5.013 -0.000 2.328) 5.527 10.949 ( -1.995 0.000 4.402) 4.833 11.135 ( -1.836 0.000 -5.234) 5.547 11.409 ( 19.967 -0.000 13.390) 24.041 12.247 ( -8.133 0.000 -2.504) 8.509 12.558 ( -10.593 0.000 2.740) 10.942 13.983 ( 0.025 -0.000 -12.505) 12.505 15.040 ( -9.044 0.000 -8.551) 12.447 15.890 ( 6.606 -0.000 -4.752) 8.138 16.289 ( -1.890 0.000 -10.649) 10.816 16.411 ( 29.198 -0.000 -12.471) 31.750 16.878 ( -24.624 0.000 12.143) 27.456 17.579 ( -1.084 0.000 1.589) 1.923 17.984 ( 4.615 -0.000 6.957) 8.348 18.530 ( 1.979 -0.000 1.120) 2.274 ======================= Grid point 221 (98/337) ======================= q-point: ( 0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 8.224 -1.573 11.433) 14.172 2.270 ( 10.483 -2.366 17.903) 20.881 2.770 ( -8.196 3.213 -11.804) 14.725 3.027 ( 10.298 -2.165 -1.351) 10.609 3.143 ( 3.718 12.655 3.691) 13.696 3.355 ( 0.844 -3.792 3.566) 5.273 3.440 ( -5.439 4.227 -8.189) 10.701 3.678 ( -2.210 -10.775 -1.215) 11.066 4.326 ( 13.236 -1.111 -2.550) 13.525 4.538 ( -1.029 -0.010 0.574) 1.178 5.211 ( -7.525 5.721 -0.091) 9.454 5.345 ( -7.854 -5.098 -5.496) 10.857 5.769 ( -9.238 1.918 6.017) 11.190 6.049 ( -0.931 0.501 14.740) 14.778 6.925 ( -12.979 -1.721 15.436) 20.241 7.958 ( -4.119 4.631 -6.456) 8.949 8.114 ( -13.679 2.669 27.921) 31.206 8.280 ( -1.695 -3.465 1.566) 4.163 9.067 ( -6.665 -0.027 -4.284) 7.923 9.299 ( -1.743 4.178 -0.271) 4.535 9.603 ( 6.172 -7.555 11.795) 15.306 10.606 ( 0.217 1.968 3.131) 3.705 10.902 ( -2.295 5.792 2.006) 6.545 11.133 ( 3.492 -9.114 -3.839) 10.488 11.818 ( 15.561 0.049 12.471) 19.942 12.085 ( -9.579 -0.121 -3.577) 10.225 12.462 ( -8.396 0.241 5.447) 10.011 13.851 ( 0.319 3.228 -8.662) 9.250 14.820 ( -9.039 -3.048 -10.509) 14.193 15.910 ( 5.130 3.651 -3.402) 7.156 16.152 ( 1.010 0.900 -9.513) 9.609 16.604 ( 11.932 -0.480 -8.458) 14.633 16.734 ( -7.393 1.190 6.892) 10.177 17.577 ( -4.247 -2.684 1.721) 5.311 18.133 ( 4.922 -1.163 6.576) 8.296 18.561 ( 2.502 1.507 0.080) 2.922 ======================= Grid point 222 (99/337) ======================= q-point: ( 0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 6.992 0.106 2.745) 7.512 2.506 ( -9.600 -0.424 -9.438) 13.469 2.602 ( 8.797 0.129 11.886) 14.788 2.975 ( -4.032 10.823 -0.352) 11.555 3.082 ( -5.662 4.119 -3.266) 7.726 3.274 ( 8.179 4.145 0.947) 9.218 3.533 ( -0.542 -7.216 -1.736) 7.442 3.784 ( 1.108 -11.992 5.260) 13.142 4.461 ( 6.583 -3.252 -2.737) 7.836 4.495 ( 0.368 1.383 -6.394) 6.553 5.043 ( -7.167 6.123 -0.431) 9.436 5.245 ( -10.000 -4.412 0.642) 10.949 5.704 ( -4.804 4.199 5.019) 8.119 6.183 ( 1.725 3.215 9.736) 10.397 6.954 ( -10.685 -3.893 13.876) 17.941 7.790 ( -3.722 5.638 -4.173) 7.941 8.194 ( -13.042 0.650 18.863) 22.941 8.270 ( -11.280 -4.343 7.614) 14.286 8.897 ( -7.008 -2.291 -8.984) 11.622 9.220 ( -1.825 5.683 -2.461) 6.456 9.886 ( 4.729 -9.468 10.540) 14.937 10.486 ( -5.816 16.192 0.160) 17.206 10.958 ( 5.283 -5.715 2.240) 8.099 11.243 ( 2.336 -9.552 -1.677) 9.975 11.882 ( -6.580 2.016 -2.442) 7.302 12.082 ( -1.561 -0.048 7.578) 7.738 12.528 ( 4.766 -0.832 12.538) 13.439 13.742 ( 0.448 3.166 -5.892) 6.704 14.611 ( -7.320 -4.654 -12.913) 15.556 15.870 ( 0.905 4.121 -4.198) 5.952 16.121 ( 6.630 0.530 -4.314) 7.928 16.542 ( -9.093 3.620 4.697) 10.856 16.824 ( 14.533 -2.189 -8.612) 17.034 17.547 ( -6.426 -2.972 1.457) 7.228 18.277 ( 3.374 -1.780 6.162) 7.248 18.570 ( 2.311 3.084 -0.762) 3.928 ======================= Grid point 223 (100/337) ======================= q-point: (-0.60 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 1.891 7.793 -7.492) 10.974 2.279 ( -12.823 0.005 -6.161) 14.226 2.683 ( 0.448 8.684 4.240) 9.674 2.904 ( -3.994 2.450 0.459) 4.707 3.033 ( 3.539 -1.772 7.856) 8.797 3.391 ( 2.612 -5.339 -2.848) 6.591 3.532 ( -2.024 -2.379 3.716) 4.854 3.917 ( -3.681 -2.454 5.151) 6.790 4.321 ( -4.692 1.786 -9.798) 11.010 4.573 ( 5.769 -8.425 -4.647) 11.219 4.939 ( -3.863 0.881 1.910) 4.399 5.139 ( -10.920 -0.112 1.680) 11.049 5.684 ( 1.756 6.845 3.471) 7.873 6.249 ( 2.747 5.448 3.585) 7.077 7.011 ( -9.251 -3.545 13.542) 16.779 7.681 ( -2.412 3.488 -0.145) 4.243 8.149 ( -6.375 -6.892 -6.744) 11.559 8.253 ( -24.015 -0.277 27.556) 36.553 8.741 ( -5.458 -4.964 -8.476) 11.238 9.102 ( -2.072 4.042 -4.876) 6.664 10.119 ( 1.685 -9.114 7.840) 12.140 10.240 ( -4.996 22.309 0.849) 22.877 11.130 ( 5.699 -8.478 -0.274) 10.219 11.245 ( -7.028 -2.927 -1.271) 7.719 11.840 ( 2.533 -5.887 -1.128) 6.508 12.067 ( -7.756 1.990 6.235) 10.148 12.812 ( 8.091 2.059 18.591) 20.380 13.693 ( 2.609 -1.772 -4.665) 5.631 14.401 ( -5.056 -3.812 -16.149) 17.346 15.803 ( 1.205 3.695 -3.064) 4.949 16.193 ( 7.332 0.619 0.079) 7.359 16.442 ( -6.209 3.590 1.706) 7.373 16.933 ( 13.680 -1.851 -9.065) 16.515 17.491 ( -8.446 -4.002 1.305) 9.437 18.390 ( 1.018 -1.504 5.507) 5.799 18.554 ( 1.752 4.371 -1.043) 4.824 ======================= Grid point 224 (101/337) ======================= q-point: (-0.50 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -6.648 14.277 -7.439) 17.417 1.979 ( -16.271 7.844 -4.986) 18.739 2.692 ( 0.268 1.253 1.888) 2.282 2.910 ( -3.381 -2.896 7.511) 8.732 3.129 ( -1.988 1.164 1.839) 2.948 3.382 ( -4.531 -7.946 -1.263) 9.234 3.596 ( -0.758 2.994 6.118) 6.853 3.822 ( -6.541 6.631 0.033) 9.315 4.209 ( 0.606 -5.166 -7.345) 9.000 4.667 ( 2.318 -8.906 -1.675) 9.354 4.933 ( -10.939 -3.349 3.684) 12.019 5.029 ( 0.161 -1.153 0.054) 1.165 5.700 ( 6.808 9.536 1.446) 11.805 6.260 ( 3.525 5.073 -0.446) 6.194 7.044 ( -11.566 0.303 14.025) 18.182 7.663 ( 0.549 -0.146 1.519) 1.622 8.022 ( -11.570 -6.565 -3.419) 13.735 8.240 ( -19.686 -4.730 19.219) 27.916 8.646 ( -4.049 -4.152 -4.366) 7.259 9.012 ( -0.622 -1.921 -4.913) 5.312 9.989 ( -3.909 24.636 2.380) 25.057 10.270 ( -1.088 -7.743 5.236) 9.410 11.004 ( -16.872 -2.456 -4.318) 17.588 11.347 ( 9.906 -2.359 0.456) 10.193 11.935 ( -2.078 -5.425 1.270) 5.947 12.073 ( 1.701 -5.011 5.827) 7.871 13.081 ( 4.428 7.498 20.206) 22.002 13.728 ( 2.948 -8.732 -7.593) 11.941 14.182 ( -1.427 -1.201 -15.721) 15.832 15.775 ( 2.910 3.804 -1.149) 4.926 16.285 ( 0.631 2.491 4.599) 5.268 16.357 ( 2.303 1.309 -4.317) 5.065 17.027 ( 12.865 -0.624 -8.361) 15.356 17.424 ( -10.180 -6.517 1.593) 12.192 18.442 ( -0.684 0.874 1.765) 2.085 18.535 ( 0.701 3.050 2.007) 3.717 ======================= Grid point 225 (102/337) ======================= q-point: (-0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -11.636 15.597 -0.767) 19.475 1.611 ( -17.535 12.978 -1.887) 21.897 2.584 ( -19.038 4.364 1.084) 19.562 2.956 ( -0.806 7.017 9.488) 11.828 3.089 ( -3.899 -3.345 0.084) 5.138 3.358 ( -6.548 -6.073 -0.118) 8.932 3.625 ( -2.039 0.846 8.976) 9.243 3.752 ( 6.000 3.669 -4.860) 8.548 4.203 ( 0.623 -6.062 -5.834) 8.436 4.736 ( -10.917 -6.007 3.643) 12.982 4.827 ( 1.552 -4.414 -2.311) 5.218 5.152 ( 3.438 -7.423 4.972) 9.573 5.727 ( 9.309 10.950 -0.281) 14.375 6.250 ( 3.645 3.843 -3.035) 6.105 7.013 ( -14.444 2.778 15.040) 21.037 7.712 ( 1.636 -1.639 1.119) 2.572 7.910 ( -12.707 -7.984 4.199) 15.584 8.238 ( -14.256 -8.900 10.435) 19.782 8.604 ( -2.494 -0.994 1.206) 2.943 9.020 ( 1.505 -9.010 -3.487) 9.778 9.755 ( -3.350 24.504 3.568) 24.988 10.352 ( -2.811 -5.463 3.731) 7.188 10.745 ( -17.470 -3.562 -2.699) 18.033 11.448 ( 5.661 4.295 -1.185) 7.204 11.976 ( 1.286 -4.711 2.975) 5.719 12.267 ( 4.495 -10.977 4.225) 12.592 13.198 ( 3.508 11.014 -4.726) 12.488 13.652 ( -8.317 -2.405 1.445) 8.778 14.157 ( 7.946 -6.844 -3.227) 10.973 15.778 ( 3.695 4.808 -0.120) 6.065 16.206 ( -3.035 4.163 -3.824) 6.416 16.441 ( 7.112 -0.587 1.480) 7.288 17.093 ( 8.661 0.570 -6.697) 10.963 17.385 ( -8.091 -9.796 1.986) 12.859 18.406 ( 0.231 3.977 -2.221) 4.561 18.562 ( -1.820 -0.454 4.726) 5.085 ======================= Grid point 226 (103/337) ======================= q-point: (-0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -16.032 13.582 6.472) 21.986 1.268 ( -13.537 17.489 6.781) 23.132 2.208 ( -27.755 14.725 10.557) 33.145 2.987 ( -9.684 0.503 6.525) 11.688 3.049 ( 5.232 2.559 -1.582) 6.035 3.370 ( -0.777 -5.964 0.855) 6.075 3.706 ( -5.491 -4.511 8.661) 11.203 3.785 ( 11.256 1.859 -4.991) 12.453 4.198 ( -0.157 -4.429 -2.058) 4.886 4.605 ( -11.069 -2.297 -1.181) 11.367 4.960 ( 5.722 -8.220 -0.196) 10.018 5.337 ( 1.921 -7.832 9.162) 12.206 5.752 ( 8.848 9.940 -0.917) 13.339 6.220 ( 3.675 3.214 -5.591) 7.422 6.963 ( -15.684 2.380 17.083) 23.312 7.723 ( -1.589 -1.558 -0.035) 2.225 7.965 ( -8.254 -12.859 13.084) 20.117 8.235 ( -11.060 -11.080 3.475) 16.036 8.631 ( -0.841 -0.537 6.417) 6.494 9.119 ( 3.302 -11.155 -1.431) 11.722 9.549 ( -3.112 21.882 4.086) 22.477 10.343 ( -7.292 -0.531 -0.249) 7.316 10.594 ( -11.082 -8.400 4.543) 14.629 11.413 ( 1.946 9.508 -1.730) 9.858 12.086 ( 8.130 -0.231 -6.190) 10.221 12.421 ( -0.983 -6.944 -1.498) 7.171 12.777 ( -7.194 13.107 -26.226) 30.189 13.842 ( 3.004 -4.475 27.041) 27.573 14.332 ( 7.893 -7.997 1.410) 11.325 15.765 ( 1.498 7.133 -0.428) 7.301 16.086 ( 1.322 3.902 -7.778) 8.801 16.549 ( 5.058 -0.292 1.282) 5.227 17.101 ( -1.513 -3.715 -1.705) 4.359 17.433 ( -0.131 -8.773 1.277) 8.867 18.343 ( 1.493 4.568 -4.437) 6.541 18.577 ( -4.849 -2.194 2.917) 6.070 ======================= Grid point 227 (104/337) ======================= q-point: (-0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -9.128 13.953 16.463) 23.431 1.114 ( -8.199 15.867 16.557) 24.354 1.918 ( -20.574 14.742 22.782) 34.053 2.875 ( -8.679 -1.760 -0.653) 8.880 3.139 ( 8.110 3.945 3.086) 9.532 3.437 ( 1.093 -4.216 2.493) 5.019 3.706 ( -6.423 -7.241 -2.968) 10.124 3.881 ( 9.022 -0.643 -5.859) 10.776 4.274 ( -2.041 -7.425 3.216) 8.345 4.497 ( -1.146 1.522 3.959) 4.393 5.067 ( 3.797 -4.708 -2.993) 6.749 5.542 ( -1.654 -8.913 12.290) 15.272 5.774 ( 5.931 6.318 -0.176) 8.667 6.161 ( 3.402 4.362 -7.897) 9.641 6.942 ( -15.573 0.468 19.132) 24.673 7.744 ( 1.322 -2.093 2.164) 3.288 8.118 ( -25.648 -21.978 18.334) 38.431 8.217 ( 0.551 -8.376 -4.467) 9.508 8.724 ( -0.526 -0.703 9.765) 9.804 9.245 ( 4.015 -1.483 1.458) 4.522 9.391 ( -3.006 11.095 3.992) 12.169 10.223 ( -4.370 1.846 -0.039) 4.744 10.661 ( -5.468 -9.030 10.440) 14.847 11.298 ( 5.115 18.681 -8.362) 21.097 11.694 ( -8.655 29.777 -23.386) 38.839 12.373 ( -0.841 -4.309 1.133) 4.535 12.660 ( -1.483 -6.446 2.321) 7.010 14.210 ( 5.672 -16.554 -2.273) 17.645 14.651 ( 18.768 -6.856 20.897) 28.912 15.662 ( -3.712 8.306 -2.825) 9.526 16.018 ( 7.899 4.923 -8.516) 12.616 16.596 ( 2.718 0.769 -2.403) 3.708 17.108 ( -9.023 -11.642 4.138) 15.300 17.543 ( 4.526 -4.758 1.556) 6.749 18.235 ( -1.052 7.310 -8.962) 11.613 18.521 ( -8.851 -1.721 1.903) 9.216 ======================= Grid point 228 (105/337) ======================= q-point: (-0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -1.408 11.144 20.579) 23.445 1.193 ( 6.532 8.459 22.077) 24.528 1.941 ( -4.890 8.799 30.258) 31.888 2.798 ( -1.888 -1.250 -1.929) 2.975 3.256 ( 5.492 0.874 4.728) 7.299 3.523 ( 0.420 -1.707 3.598) 4.004 3.608 ( -7.753 -8.166 -6.560) 13.032 3.908 ( 11.245 4.225 -9.274) 15.176 4.169 ( -10.616 -5.948 -8.891) 15.071 4.680 ( 5.631 -0.997 5.532) 7.957 5.127 ( 5.134 -3.907 0.371) 6.463 5.684 ( -7.120 -6.979 9.234) 13.589 5.802 ( 1.382 1.189 2.336) 2.963 6.047 ( -1.130 6.955 -6.326) 9.469 6.949 ( -16.113 -0.408 19.126) 25.012 7.852 ( 4.581 -3.847 4.950) 7.765 8.003 ( -31.998 -11.266 14.550) 36.912 8.289 ( -1.142 -9.329 -3.404) 9.996 8.853 ( 0.356 1.749 14.860) 14.967 9.205 ( -0.858 15.105 6.833) 16.601 9.429 ( 1.126 -5.817 0.471) 5.944 10.288 ( 9.108 -2.675 4.532) 10.519 10.802 ( -2.707 -5.691 11.710) 13.298 10.962 ( 9.494 31.645 -13.447) 35.670 11.357 ( -6.040 8.623 3.156) 10.990 12.398 ( -1.899 -1.852 0.266) 2.666 12.699 ( -4.868 -4.895 2.185) 7.241 14.244 ( -0.047 -11.113 -14.729) 18.451 15.305 ( 27.761 -13.755 7.442) 31.863 15.487 ( -5.894 1.953 -3.633) 7.194 16.013 ( 14.200 8.549 -8.224) 18.503 16.555 ( 0.769 2.030 -6.507) 6.859 17.140 ( -17.171 -18.279 7.750) 26.249 17.654 ( 7.210 3.014 0.464) 7.828 17.959 ( -10.945 12.246 -4.206) 16.954 18.470 ( -3.909 -1.254 3.008) 5.089 ======================= Grid point 231 (106/337) ======================= q-point: ( 0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 7.424 -0.000 4.902) 8.897 2.496 ( -8.741 0.000 -8.300) 12.054 2.606 ( 9.435 -0.000 11.675) 15.011 3.086 ( -4.690 0.000 -3.767) 6.016 3.127 ( -3.199 0.000 -1.550) 3.554 3.394 ( -1.161 0.000 2.252) 2.534 3.407 ( 1.579 -0.000 -9.020) 9.157 3.637 ( 6.720 -0.000 9.344) 11.509 4.422 ( 6.952 -0.000 -4.207) 8.125 4.515 ( -1.936 0.000 -4.408) 4.815 5.130 ( -9.689 0.000 -3.996) 10.480 5.175 ( -7.752 0.000 5.251) 9.363 5.745 ( -4.267 0.000 5.235) 6.754 6.210 ( 1.525 -0.000 11.191) 11.295 6.916 ( -10.703 0.000 13.466) 17.201 7.855 ( -2.768 0.000 -6.101) 6.700 8.180 ( -8.552 0.000 -2.190) 8.828 8.232 ( -20.209 0.000 30.211) 36.347 8.875 ( -8.040 0.000 -9.722) 12.616 9.284 ( -2.376 0.000 -2.917) 3.762 9.793 ( 7.058 -0.000 10.736) 12.849 10.679 ( 4.298 -0.000 1.790) 4.656 10.900 ( -7.786 0.000 4.995) 9.250 11.114 ( 8.123 -0.000 -5.779) 9.969 11.906 ( -8.623 0.000 -4.212) 9.597 12.081 ( 0.653 -0.000 9.008) 9.031 12.518 ( 4.663 -0.000 12.814) 13.636 13.774 ( -0.831 0.000 -7.011) 7.060 14.566 ( -7.909 0.000 -11.194) 13.706 15.907 ( 0.100 -0.000 -5.406) 5.407 16.125 ( 6.897 -0.000 -4.781) 8.392 16.578 ( -8.381 0.000 3.658) 9.145 16.803 ( 14.137 -0.000 -7.662) 16.079 17.520 ( -5.943 0.000 1.716) 6.186 18.260 ( 3.207 -0.000 6.802) 7.520 18.598 ( 2.327 -0.000 -0.753) 2.445 ======================= Grid point 232 (107/337) ======================= q-point: (-0.70 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 5.707 2.244 -3.133) 6.886 2.263 ( -8.364 -0.771 -9.119) 12.398 2.845 ( 4.674 7.369 6.469) 10.862 2.960 ( -4.832 2.076 -2.200) 5.700 3.007 ( -7.900 -0.388 5.385) 9.568 3.285 ( -5.666 -5.610 -5.968) 9.959 3.509 ( 6.849 -0.188 5.404) 8.726 3.868 ( 6.097 -2.011 8.647) 10.770 4.358 ( -7.120 1.846 -9.547) 12.052 4.439 ( 1.124 -5.193 -5.189) 7.427 4.959 ( -10.906 0.834 1.187) 11.002 5.140 ( -6.969 0.078 3.647) 7.866 5.776 ( 3.052 2.976 3.562) 5.555 6.315 ( 1.026 1.907 4.999) 5.448 6.956 ( -6.279 -2.021 12.723) 14.332 7.757 ( -2.519 3.980 -1.549) 4.958 8.027 ( -9.647 -5.442 -5.687) 12.451 8.244 ( -26.763 -0.387 28.234) 38.904 8.666 ( -6.565 -2.573 -10.122) 12.336 9.170 ( -4.390 2.449 -5.827) 7.696 10.004 ( 4.662 -3.462 8.460) 10.261 10.642 ( 0.363 21.919 2.617) 22.078 10.970 ( 3.535 -12.547 3.435) 13.480 11.126 ( -3.583 -6.342 -5.665) 9.228 11.792 ( -0.304 -0.488 -3.441) 3.489 12.090 ( -8.112 0.625 6.186) 10.221 12.830 ( 10.714 0.323 19.266) 22.047 13.677 ( -1.475 -0.296 -6.780) 6.945 14.352 ( -5.251 -1.544 -12.254) 13.421 15.843 ( 1.073 1.054 -4.896) 5.122 16.199 ( 8.015 0.108 -1.108) 8.092 16.497 ( -6.981 1.920 2.099) 7.539 16.909 ( 14.211 -0.758 -8.459) 16.555 17.444 ( -8.318 -1.288 1.025) 8.479 18.369 ( 0.920 -0.653 6.663) 6.758 18.606 ( 1.666 1.506 -1.477) 2.688 ======================= Grid point 233 (108/337) ======================= q-point: (-0.60 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -6.195 6.589 -8.066) 12.118 2.105 ( -1.556 6.746 -7.300) 10.061 2.749 ( -8.201 4.786 3.548) 10.137 2.876 ( -3.819 0.102 3.370) 5.095 3.087 ( -3.986 -6.776 -1.164) 7.947 3.259 ( -0.852 -4.555 4.503) 6.462 3.656 ( 5.849 2.900 5.571) 8.583 3.959 ( -4.518 8.304 6.456) 11.447 4.137 ( -3.303 -2.285 -10.750) 11.476 4.475 ( -0.152 -11.866 -1.967) 12.029 4.865 ( -11.318 -3.048 6.896) 13.600 5.047 ( -6.088 1.637 -1.509) 6.483 5.842 ( 8.011 6.015 1.046) 10.072 6.328 ( 0.160 2.548 0.371) 2.580 7.046 ( -4.529 -0.127 12.433) 13.233 7.683 ( -2.545 2.661 0.646) 3.738 7.897 ( -9.896 -7.305 -4.340) 13.043 8.169 ( -27.117 -2.763 22.595) 35.405 8.537 ( -3.718 -6.109 -6.487) 9.655 9.020 ( -4.348 1.350 -5.987) 7.522 10.162 ( 1.261 -4.289 6.158) 7.610 10.445 ( -1.929 25.843 3.230) 26.115 10.947 ( -13.511 -3.027 -6.182) 15.163 11.243 ( 10.215 -11.403 2.698) 15.546 11.823 ( 4.303 -4.220 -2.267) 6.439 12.042 ( -6.805 -0.367 5.505) 8.761 13.180 ( 6.976 3.816 22.098) 23.485 13.603 ( -0.406 -5.149 -7.747) 9.311 14.165 ( -1.890 -0.674 -13.297) 13.447 15.818 ( 3.709 1.336 -3.476) 5.256 16.305 ( 6.744 0.195 1.879) 7.004 16.401 ( -4.182 2.787 -1.663) 5.293 17.017 ( 14.045 -0.426 -7.322) 15.845 17.340 ( -10.799 -3.031 0.519) 11.229 18.442 ( -1.575 -0.356 5.749) 5.972 18.587 ( 0.895 2.247 -1.723) 2.970 ======================= Grid point 234 (109/337) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -9.588 11.637 -4.083) 15.621 1.870 ( -6.257 15.800 -4.979) 17.708 2.639 ( -10.803 2.602 1.525) 11.216 2.912 ( -6.313 -7.294 7.018) 11.929 3.038 ( -4.879 -7.919 -2.634) 9.668 3.332 ( 0.316 3.226 3.815) 5.006 3.715 ( -1.711 8.381 8.558) 12.100 3.831 ( 0.600 6.420 -2.850) 7.049 4.095 ( 0.371 -6.001 -4.532) 7.529 4.584 ( -1.058 -11.157 3.180) 11.649 4.779 ( -12.194 -0.901 1.835) 12.365 5.022 ( -0.756 -6.957 3.922) 8.022 5.899 ( 9.547 8.081 -1.532) 12.602 6.300 ( 0.193 1.849 -2.038) 2.759 7.080 ( -8.283 4.583 12.194) 15.437 7.676 ( -0.423 -2.467 0.980) 2.688 7.777 ( -14.496 -6.951 3.113) 16.375 8.101 ( -18.399 -5.944 13.574) 23.624 8.524 ( -0.924 -6.855 -0.667) 6.949 8.915 ( -2.582 -2.883 -4.355) 5.826 10.217 ( -2.854 25.276 3.470) 25.672 10.264 ( -0.576 -3.022 4.816) 5.715 10.694 ( -16.106 -2.055 -4.743) 16.915 11.492 ( 12.526 -1.626 0.883) 12.662 11.872 ( -1.630 -5.920 1.059) 6.231 12.092 ( 1.037 -7.699 4.113) 8.790 13.341 ( 1.540 5.562 -5.278) 7.821 13.605 ( -4.149 -2.602 10.869) 11.921 14.067 ( 5.533 -3.385 -7.500) 9.916 15.836 ( 5.811 1.844 -2.883) 6.744 16.282 ( -3.496 4.050 -3.215) 6.242 16.432 ( 6.828 -0.487 2.077) 7.154 17.106 ( 5.717 0.932 -4.988) 7.644 17.248 ( -4.553 -5.816 -0.249) 7.390 18.454 ( -2.576 1.595 2.332) 3.824 18.564 ( -0.634 0.602 -0.000) 0.874 ======================= Grid point 235 (110/337) ======================= q-point: (-0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -10.127 15.048 2.657) 18.332 1.594 ( -8.445 18.681 2.603) 20.666 2.418 ( -14.718 9.105 1.579) 17.378 2.895 ( -12.041 -8.479 1.169) 14.773 3.109 ( 1.466 -5.647 5.700) 8.156 3.315 ( 0.681 5.519 1.588) 5.783 3.694 ( -6.055 4.612 7.388) 10.607 3.825 ( 8.499 2.384 -4.635) 9.970 4.114 ( -0.335 -5.373 -1.082) 5.491 4.581 ( -9.836 0.108 1.942) 10.026 4.786 ( 2.927 -11.307 1.697) 11.802 5.175 ( -1.332 -10.490 9.626) 14.299 5.919 ( 8.146 8.511 -3.385) 12.258 6.257 ( 0.852 1.121 -4.284) 4.509 7.034 ( -12.335 5.575 13.598) 19.187 7.652 ( -13.002 -6.749 6.757) 16.132 7.792 ( -1.433 -6.940 4.638) 8.469 8.067 ( -12.219 -7.289 6.485) 15.636 8.601 ( 0.874 -3.093 5.731) 6.571 8.920 ( 0.926 -9.622 -1.892) 9.850 9.988 ( -2.367 25.886 3.140) 26.183 10.324 ( -3.135 -2.200 3.187) 4.982 10.481 ( -11.832 -3.365 0.390) 12.307 11.579 ( 4.428 8.836 0.645) 9.905 11.988 ( 6.636 -9.609 0.687) 11.698 12.241 ( 0.175 -11.352 3.047) 11.755 13.018 ( -5.053 12.186 -27.017) 30.066 13.752 ( -3.128 -5.449 15.028) 16.288 14.214 ( 9.096 -5.062 6.403) 12.222 15.862 ( 5.682 3.594 -3.233) 7.460 16.159 ( -0.532 4.246 -6.303) 7.618 16.546 ( 5.407 -0.090 2.219) 5.845 17.020 ( -12.605 -4.732 0.578) 13.477 17.346 ( 11.467 -2.133 -2.110) 11.853 18.409 ( -1.044 3.016 -1.656) 3.595 18.547 ( -3.899 -1.322 0.939) 4.223 ======================= Grid point 236 (111/337) ======================= q-point: (-0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -6.361 16.390 11.679) 21.107 1.405 ( -6.446 16.945 11.122) 21.270 2.186 ( -9.819 13.957 8.117) 18.898 2.812 ( -9.019 -5.477 -0.064) 10.552 3.240 ( 5.291 3.308 4.741) 7.837 3.326 ( -0.490 -5.498 1.834) 5.817 3.624 ( -8.833 0.212 2.058) 9.072 3.881 ( 9.181 0.184 -5.907) 10.919 4.149 ( -4.030 -6.381 0.826) 7.592 4.525 ( -0.610 1.804 5.854) 6.156 4.946 ( 3.562 -9.134 0.426) 9.813 5.364 ( -4.054 -11.219 12.665) 17.398 5.896 ( 4.722 7.069 -3.667) 9.258 6.208 ( 2.528 1.185 -6.770) 7.323 6.978 ( -14.433 3.489 16.495) 22.194 7.652 ( -10.661 -9.252 8.922) 16.699 7.870 ( -9.082 -6.052 9.329) 14.358 8.056 ( -3.422 -9.024 -0.621) 9.671 8.720 ( 1.041 -0.039 10.449) 10.501 9.065 ( 4.779 -12.402 2.184) 13.469 9.771 ( -2.277 24.996 3.971) 25.411 10.255 ( -3.247 1.945 -0.811) 3.870 10.505 ( -4.548 -7.913 9.154) 12.927 11.534 ( 0.816 10.796 2.112) 11.031 12.092 ( 5.831 7.768 -18.286) 20.705 12.289 ( -3.990 -5.003 0.213) 6.403 12.590 ( -4.268 3.616 -7.898) 9.679 13.921 ( 1.296 -15.628 -1.628) 15.766 14.531 ( 10.212 -6.135 18.443) 21.956 15.810 ( -0.470 7.633 -5.023) 9.150 16.085 ( 7.127 2.791 -7.961) 11.044 16.616 ( 4.124 1.398 -0.805) 4.428 16.914 ( -16.190 -9.353 5.293) 19.433 17.510 ( 12.378 -0.278 0.057) 12.382 18.332 ( -0.103 4.071 -6.513) 7.682 18.492 ( -7.364 -1.477 1.393) 7.639 ======================= Grid point 237 (112/337) ======================= q-point: (-0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.931 13.448 17.854) 22.371 1.389 ( 1.757 12.849 16.674) 21.124 2.139 ( 0.898 11.965 15.602) 19.682 2.763 ( -3.050 -2.808 0.011) 4.146 3.283 ( 4.382 1.531 -2.306) 5.183 3.440 ( -2.667 -9.913 2.388) 10.540 3.518 ( -6.583 1.832 4.683) 8.284 3.927 ( 6.671 -3.569 -7.898) 10.937 4.081 ( -6.432 -1.613 -4.984) 8.295 4.669 ( 5.838 0.017 8.431) 10.256 5.043 ( 2.802 -5.900 -0.855) 6.588 5.532 ( -8.185 -10.194 14.156) 19.270 5.848 ( 0.732 3.748 -2.580) 4.608 6.138 ( 1.533 3.220 -8.016) 8.773 6.957 ( -14.844 1.422 18.340) 23.638 7.712 ( -12.881 -11.570 13.158) 21.746 7.872 ( -8.108 -2.141 8.923) 12.245 8.116 ( 1.334 -10.400 -3.518) 11.060 8.868 ( 1.018 -0.192 12.692) 12.734 9.272 ( 4.386 -8.658 4.407) 10.660 9.576 ( -2.828 23.213 5.799) 24.093 10.277 ( 6.973 0.597 3.077) 7.645 10.638 ( -4.381 -9.518 10.725) 14.993 11.472 ( 2.439 13.278 1.431) 13.576 11.607 ( -3.966 26.502 -20.046) 33.465 12.351 ( 0.776 -3.315 0.435) 3.433 12.578 ( -5.167 -8.105 2.893) 10.037 13.996 ( 0.971 -15.983 -12.313) 20.199 15.006 ( 14.471 -15.943 15.423) 26.484 15.622 ( -4.401 9.585 -7.077) 12.701 16.108 ( 12.529 2.476 -8.606) 15.400 16.610 ( 3.478 3.910 -5.105) 7.310 16.866 ( -17.898 -12.452 9.766) 23.891 17.683 ( 10.949 0.951 2.697) 11.317 18.146 ( -5.816 8.391 -9.200) 13.743 18.444 ( -4.257 -1.649 2.550) 5.229 ======================= Grid point 238 (113/337) ======================= q-point: (-0.10 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 2.998 11.125 17.906) 21.293 1.617 ( 11.862 7.025 18.414) 23.003 2.349 ( 12.068 3.932 16.699) 20.975 2.785 ( 2.800 -1.310 1.096) 3.280 3.300 ( -0.187 -8.060 -8.615) 11.799 3.333 ( -9.161 0.532 0.597) 9.196 3.636 ( 2.190 -0.716 9.887) 10.152 3.855 ( -10.368 -6.312 -9.690) 15.532 4.034 ( 12.785 4.834 -4.852) 14.504 4.723 ( -1.196 3.598 -2.351) 4.461 5.159 ( 3.359 -7.706 1.681) 8.572 5.622 ( -8.936 -4.347 9.520) 13.762 5.809 ( -3.157 -1.443 1.710) 3.870 6.004 ( -4.831 5.574 -3.294) 8.079 6.951 ( -14.882 1.403 18.385) 23.695 7.800 ( -15.686 -8.205 22.026) 28.258 7.941 ( 1.537 -4.871 4.295) 6.673 8.176 ( 3.143 -7.459 -4.784) 9.402 9.023 ( -0.273 -0.770 11.863) 11.891 9.387 ( -2.782 -2.496 1.110) 3.899 9.445 ( 1.335 17.538 9.589) 20.033 10.453 ( 8.421 0.464 5.136) 9.875 10.788 ( -3.939 -11.000 8.848) 14.656 11.226 ( 7.798 21.285 -9.473) 24.568 11.426 ( 0.857 10.519 4.175) 11.350 12.341 ( -4.092 -1.072 -1.351) 4.441 12.588 ( -7.839 -5.920 2.911) 10.245 13.971 ( 0.191 -11.939 -14.097) 18.475 15.347 ( -7.061 0.588 -6.673) 9.733 15.510 ( 13.987 -10.962 2.480) 17.943 16.176 ( 14.006 0.186 -9.614) 16.989 16.543 ( 6.092 7.185 -8.242) 12.517 16.844 ( -20.033 -12.132 11.849) 26.247 17.845 ( 11.437 6.218 0.042) 13.018 17.875 ( -10.152 7.083 -0.130) 12.380 18.457 ( -0.303 -2.387 1.761) 2.982 ======================= Grid point 242 (114/337) ======================= q-point: ( 0.30 -0.70 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 335 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -5.548 0.000 -7.677) 9.472 2.172 ( 5.010 -0.000 -6.598) 8.285 2.834 ( -15.592 0.000 4.041) 16.107 2.892 ( -5.926 0.000 1.483) 6.109 2.965 ( -2.888 0.000 -7.123) 7.686 3.224 ( 2.162 -0.000 9.993) 10.224 3.682 ( 7.492 -0.000 5.718) 9.425 4.042 ( 5.212 -0.000 5.327) 7.453 4.151 ( -7.848 0.000 -6.483) 10.180 4.323 ( -4.686 0.000 -4.471) 6.477 4.838 ( -12.914 0.000 7.568) 14.968 5.064 ( -7.402 0.000 -1.712) 7.598 5.897 ( 8.286 -0.000 0.826) 8.327 6.350 ( -1.329 0.000 0.790) 1.546 7.044 ( -1.129 0.000 12.170) 12.222 7.740 ( -5.009 0.000 2.299) 5.512 7.796 ( -8.570 0.000 -6.540) 10.780 8.146 ( -29.833 0.000 24.401) 38.542 8.477 ( -3.053 0.000 -8.181) 8.732 9.034 ( -5.788 0.000 -6.456) 8.671 10.123 ( 2.045 -0.000 6.543) 6.855 10.803 ( -7.745 0.000 5.830) 9.694 10.906 ( -11.051 0.000 -8.710) 14.071 11.022 ( 14.953 -0.000 3.186) 15.289 11.795 ( 5.988 -0.000 -3.651) 7.013 12.038 ( -8.834 0.000 5.382) 10.344 13.215 ( 8.703 -0.000 23.484) 25.045 13.555 ( -2.485 0.000 -8.672) 9.021 14.159 ( -1.957 0.000 -12.297) 12.452 15.829 ( 3.923 -0.000 -4.203) 5.749 16.306 ( 7.475 -0.000 1.077) 7.552 16.429 ( -5.018 0.000 -1.185) 5.156 17.013 ( 14.479 -0.000 -6.794) 15.993 17.314 ( -10.965 0.000 0.050) 10.965 18.438 ( -1.674 0.000 6.624) 6.832 18.607 ( 0.717 -0.000 -2.365) 2.471 ======================= Grid point 244 (115/337) ======================= q-point: (-0.60 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -4.944 5.199 -4.838) 8.653 2.105 ( 1.236 8.490 -7.516) 11.406 2.678 ( -11.631 2.256 5.199) 12.938 2.817 ( -10.376 -3.158 0.536) 10.859 2.860 ( -6.542 -8.580 -1.257) 10.863 3.378 ( 4.498 1.295 5.842) 7.486 3.819 ( 5.493 3.123 3.796) 7.371 3.961 ( -1.367 -0.443 -7.096) 7.240 4.081 ( -3.739 12.146 3.318) 13.134 4.349 ( -1.164 -15.054 4.416) 15.731 4.785 ( -13.111 0.962 11.260) 17.309 4.923 ( -6.408 -3.618 -3.722) 8.247 6.000 ( 9.477 3.075 -2.308) 10.227 6.319 ( -1.923 0.491 -1.254) 2.348 7.155 ( -2.451 2.915 11.433) 12.050 7.639 ( -5.559 -0.968 -0.547) 5.669 7.673 ( -14.846 -4.198 3.341) 15.785 8.037 ( -19.558 -1.503 16.289) 25.498 8.421 ( 1.853 -3.565 -2.625) 4.799 8.891 ( -5.321 -0.436 -4.777) 7.164 10.207 ( -0.474 -1.608 5.488) 5.738 10.604 ( -9.782 8.979 -5.725) 14.459 10.709 ( -9.147 8.560 3.641) 13.046 11.343 ( 15.098 -11.695 3.312) 19.383 11.836 ( 4.161 0.969 -2.824) 5.121 11.997 ( -5.876 -3.203 4.748) 8.206 13.405 ( -1.186 1.801 -9.844) 10.077 13.569 ( -0.311 -1.271 20.898) 20.939 14.031 ( 4.161 -0.884 -10.317) 11.160 15.853 ( 6.636 0.382 -4.193) 7.859 16.335 ( -3.533 1.647 -3.562) 5.280 16.425 ( 6.632 -0.193 2.685) 7.158 17.128 ( -0.691 1.609 -3.016) 3.487 17.171 ( 2.484 -3.101 -2.549) 4.721 18.470 ( -3.876 0.324 5.676) 6.881 18.575 ( -0.270 0.431 -3.127) 3.168 ======================= Grid point 245 (116/337) ======================= q-point: (-0.50 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -4.913 11.874 -0.061) 12.851 1.905 ( -5.088 15.610 -1.778) 16.514 2.543 ( -8.564 5.139 -0.453) 9.997 2.726 ( -10.779 -9.729 -0.059) 14.521 2.921 ( -3.318 -11.371 6.851) 13.684 3.423 ( 2.106 3.545 -1.514) 4.393 3.858 ( 6.086 4.772 -1.012) 7.799 3.898 ( -5.196 13.573 6.253) 15.822 4.011 ( 0.331 -5.763 -1.846) 6.061 4.540 ( 0.278 -12.229 7.571) 14.385 4.645 ( -8.726 3.163 -0.032) 9.282 4.976 ( -5.109 -11.435 10.443) 16.307 6.041 ( 7.701 5.003 -5.027) 10.469 6.268 ( -1.369 0.252 -3.052) 3.355 7.147 ( -11.682 6.567 12.339) 18.217 7.538 ( -19.058 -4.664 10.928) 22.459 7.661 ( 2.759 -8.216 -2.233) 8.950 7.993 ( -11.245 -1.489 9.289) 14.661 8.528 ( 5.849 -4.336 5.317) 9.015 8.805 ( -3.284 -3.552 -2.237) 5.330 10.273 ( -1.531 -2.352 5.807) 6.449 10.343 ( -7.048 7.364 -6.246) 11.955 10.546 ( -7.505 14.898 6.244) 17.812 11.670 ( 13.965 -5.073 2.837) 15.126 11.815 ( -2.506 -2.025 0.757) 3.309 12.062 ( -0.360 -8.647 3.091) 9.189 13.190 ( -1.905 7.103 -18.851) 20.235 13.660 ( -8.028 -4.490 5.076) 10.506 14.152 ( 9.825 -2.121 9.289) 13.686 15.899 ( 8.054 0.920 -5.064) 9.559 16.226 ( -1.743 2.967 -5.406) 6.408 16.545 ( 5.542 -0.012 3.191) 6.395 16.953 ( -15.235 -2.590 -0.156) 15.454 17.328 ( 15.279 -0.338 -2.778) 15.533 18.452 ( -3.674 1.769 1.983) 4.534 18.528 ( -2.505 -0.834 -2.122) 3.387 ======================= Grid point 246 (117/337) ======================= q-point: (-0.40 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -2.962 15.395 7.065) 17.196 1.702 ( -5.340 16.093 5.146) 17.720 2.380 ( -4.961 7.671 0.099) 9.136 2.688 ( -6.166 -8.135 -0.107) 10.208 3.084 ( -1.516 -11.969 8.148) 14.558 3.369 ( 0.453 2.055 -5.692) 6.069 3.754 ( -6.834 12.691 5.673) 15.490 3.890 ( 3.053 2.034 -2.058) 4.206 4.055 ( 0.664 -4.239 -0.683) 4.344 4.571 ( 0.185 3.477 5.112) 6.185 4.744 ( 1.310 -13.276 4.667) 14.134 5.152 ( -5.384 -12.444 13.140) 18.881 6.010 ( 4.255 5.494 -6.295) 9.377 6.215 ( 0.669 -0.042 -4.909) 4.955 7.051 ( -16.935 4.100 15.515) 23.330 7.495 ( -13.591 -6.304 11.554) 18.919 7.768 ( 3.868 -8.469 -1.448) 9.422 7.954 ( -8.990 -1.523 6.004) 10.918 8.719 ( 1.741 -0.159 10.550) 10.694 8.862 ( 5.465 -9.841 3.057) 11.664 10.151 ( -0.862 11.826 -3.363) 12.326 10.322 ( -1.600 5.087 5.062) 7.352 10.423 ( -6.279 4.315 8.698) 11.563 11.707 ( -1.724 8.796 3.060) 9.471 11.994 ( 7.507 -12.941 -0.191) 14.962 12.166 ( -0.992 -8.059 2.559) 8.514 12.809 ( -3.504 15.798 -20.542) 26.150 13.662 ( -3.349 -13.637 -4.232) 14.666 14.444 ( 6.705 -3.676 16.518) 18.202 15.913 ( 4.690 3.763 -6.536) 8.881 16.129 ( 2.916 2.447 -7.220) 8.162 16.639 ( 4.250 0.917 1.851) 4.725 16.787 ( -15.221 -4.975 2.512) 16.209 17.512 ( 13.964 0.309 -0.156) 13.969 18.388 ( -0.932 2.484 -4.564) 5.279 18.469 ( -6.220 -1.203 0.679) 6.371 ======================= Grid point 247 (118/337) ======================= q-point: (-0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 1.801 14.539 13.476) 19.906 1.626 ( 1.374 13.598 10.315) 17.123 2.309 ( 1.566 6.382 3.189) 7.304 2.699 ( -1.005 -4.386 0.897) 4.588 3.245 ( -1.884 -9.878 3.486) 10.643 3.288 ( -1.077 -2.679 -5.608) 6.308 3.639 ( -5.339 10.747 8.252) 14.564 3.841 ( -5.034 -3.225 -4.253) 7.337 4.093 ( 5.667 1.511 -2.333) 6.312 4.683 ( 5.673 1.447 8.357) 10.204 4.899 ( 1.020 -10.773 0.619) 10.839 5.333 ( -6.959 -11.897 14.439) 19.961 5.924 ( 0.029 4.530 -5.869) 7.414 6.169 ( 1.849 0.733 -6.630) 6.922 6.989 ( -16.014 1.669 17.793) 23.996 7.529 ( -11.080 -7.892 13.152) 18.922 7.860 ( 1.054 -2.021 2.251) 3.204 7.934 ( -4.430 -8.014 1.214) 9.237 8.838 ( 0.006 -3.368 8.494) 9.137 9.130 ( 7.244 -6.297 10.663) 14.347 10.001 ( 0.140 21.919 2.635) 22.077 10.312 ( 4.520 4.787 4.129) 7.771 10.492 ( -4.657 -6.665 9.890) 12.803 11.630 ( -4.823 6.987 3.263) 9.096 11.980 ( -3.541 9.046 -12.660) 15.958 12.283 ( 5.403 -5.041 1.685) 7.579 12.493 ( -4.169 3.821 -5.245) 7.713 13.700 ( 0.594 -17.144 -10.584) 20.157 14.775 ( 6.025 -10.118 15.901) 19.787 15.786 ( -1.771 8.531 -7.926) 11.778 16.119 ( 8.762 -0.638 -8.658) 12.334 16.681 ( 4.742 3.395 -2.134) 6.210 16.693 ( -14.142 -7.028 6.999) 17.274 17.695 ( 10.531 0.427 3.205) 11.016 18.259 ( -1.960 4.634 -9.541) 10.787 18.416 ( -4.902 -1.356 2.223) 5.551 ======================= Grid point 248 (119/337) ======================= q-point: (-0.20 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 2.773 12.730 14.840) 19.748 1.766 ( 12.982 9.273 13.474) 20.882 2.388 ( 8.101 0.182 3.951) 9.015 2.755 ( 2.023 -2.402 2.311) 3.899 3.188 ( -4.803 -4.936 -5.685) 8.930 3.312 ( -3.017 -4.264 -2.697) 5.878 3.652 ( -1.523 4.772 14.449) 15.292 3.738 ( -5.685 -5.156 -6.271) 9.911 4.136 ( 9.492 5.604 -2.233) 11.247 4.783 ( 1.594 2.970 -0.110) 3.373 5.007 ( 1.960 -9.776 0.502) 9.984 5.497 ( -7.577 -9.407 15.188) 19.405 5.811 ( -3.698 1.666 -3.980) 5.682 6.079 ( -2.180 2.895 -6.396) 7.351 6.979 ( -13.979 1.416 18.474) 23.210 7.641 ( -7.723 -8.715 16.280) 20.016 7.885 ( -5.268 -1.670 6.165) 8.279 8.015 ( 4.858 -10.123 -2.897) 11.596 8.974 ( 0.538 -4.816 7.456) 8.892 9.335 ( 0.761 -1.898 7.463) 7.739 9.839 ( -1.205 24.661 8.243) 26.030 10.465 ( 8.804 0.964 6.622) 11.059 10.609 ( -2.470 -8.791 8.523) 12.491 11.487 ( -7.871 7.621 -3.614) 11.537 11.702 ( 4.207 18.605 -5.267) 19.789 12.334 ( -0.337 1.321 -2.828) 3.139 12.458 ( -6.791 -8.293 4.444) 11.603 13.730 ( 2.064 -15.035 -12.572) 19.707 15.118 ( 4.103 -16.039 8.136) 18.447 15.587 ( -0.559 9.580 -6.969) 11.860 16.149 ( 7.714 -2.820 -9.432) 12.507 16.668 ( 5.388 5.452 -4.807) 9.048 16.670 ( -11.407 -6.530 8.465) 15.634 17.853 ( 2.876 -0.225 7.115) 7.678 18.062 ( 0.415 9.029 -9.792) 13.326 18.411 ( -1.286 -2.681 1.089) 3.166 ======================= Grid point 249 (120/337) ======================= q-point: (-0.10 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 5.060 9.508 12.748) 16.689 2.052 ( 14.884 7.088 14.097) 21.691 2.581 ( 10.421 -7.771 -1.216) 13.056 2.846 ( 1.342 -4.120 3.917) 5.841 3.102 ( -6.007 -3.397 -2.664) 7.397 3.244 ( -3.062 -3.388 -5.374) 7.052 3.627 ( -1.981 1.413 -4.069) 4.741 3.796 ( 0.504 1.884 11.800) 11.960 4.219 ( 12.639 4.512 -1.286) 13.482 4.687 ( -2.469 5.237 -6.358) 8.599 5.099 ( -1.708 -8.755 -0.948) 8.970 5.582 ( -6.493 0.180 4.329) 7.806 5.738 ( -6.905 -4.849 3.273) 9.050 5.957 ( -5.175 1.733 1.942) 5.792 6.988 ( -12.667 2.786 17.735) 21.972 7.820 ( -3.896 -9.084 12.613) 16.025 7.895 ( -9.614 -4.342 10.291) 14.737 8.171 ( 8.706 -7.462 -0.622) 11.483 9.079 ( -0.976 -3.688 3.535) 5.201 9.338 ( -5.966 1.989 0.794) 6.339 9.763 ( 1.482 19.471 12.998) 23.458 10.548 ( -7.621 -3.808 5.141) 9.950 10.797 ( 8.319 -1.041 4.497) 9.514 11.308 ( 0.261 6.775 -2.832) 7.347 11.657 ( 7.441 10.091 4.296) 13.254 12.239 ( -6.300 0.954 -2.801) 6.961 12.472 ( -7.390 -4.647 4.232) 9.701 13.743 ( 2.297 -11.106 -10.391) 15.381 15.168 ( -6.696 0.510 -8.599) 10.910 15.605 ( 8.834 -6.927 1.546) 11.332 16.154 ( 3.697 -4.209 -9.153) 10.732 16.625 ( -4.935 -0.265 1.529) 5.173 16.691 ( 3.919 1.301 -0.248) 4.137 17.804 ( -8.539 6.013 0.231) 10.447 18.050 ( 9.678 4.161 1.913) 10.707 18.449 ( 1.201 -3.864 0.313) 4.059 ======================= Grid point 254 (121/337) ======================= q-point: ( 0.40 -0.60 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -2.329 0.000 -1.364) 2.699 2.071 ( -3.038 0.000 -4.406) 5.352 2.591 ( -7.785 0.000 -0.759) 7.822 2.615 ( -10.747 0.000 -0.880) 10.783 2.802 ( -4.732 0.000 9.665) 10.762 3.450 ( 1.363 -0.000 -2.399) 2.759 3.915 ( 6.310 -0.000 -3.906) 7.421 3.925 ( 1.264 -0.000 -0.269) 1.292 4.121 ( -2.885 0.000 2.573) 3.865 4.347 ( -3.441 0.000 12.129) 12.608 4.737 ( -3.058 0.000 -7.356) 7.967 4.819 ( -11.791 0.000 19.357) 22.665 6.087 ( 7.585 -0.000 -5.671) 9.471 6.269 ( -2.135 0.000 -2.605) 3.368 7.220 ( -14.950 0.000 14.216) 20.630 7.511 ( -14.611 0.000 10.736) 18.131 7.554 ( 0.086 -0.000 -4.318) 4.319 7.985 ( -9.888 0.000 9.499) 13.711 8.484 ( 7.850 -0.000 4.878) 9.242 8.777 ( -4.778 0.000 -2.162) 5.244 10.250 ( -1.405 0.000 5.894) 6.059 10.376 ( -9.302 0.000 -7.695) 12.073 10.756 ( -6.787 0.000 7.537) 10.143 11.532 ( 13.532 -0.000 3.668) 14.020 11.888 ( 5.963 -0.000 -2.739) 6.562 11.944 ( -6.770 0.000 5.891) 8.975 13.257 ( 0.286 -0.000 -14.206) 14.208 13.615 ( -10.765 0.000 0.410) 10.773 14.134 ( 10.014 -0.000 10.041) 14.181 15.905 ( 8.635 -0.000 -5.623) 10.305 16.254 ( -1.950 0.000 -5.177) 5.533 16.545 ( 5.541 -0.000 3.587) 6.601 16.930 ( -15.456 0.000 -0.722) 15.473 17.326 ( 15.992 -0.000 -2.784) 16.232 18.469 ( -5.538 0.000 5.148) 7.561 18.520 ( -1.111 0.000 -5.062) 5.183 ======================= Grid point 256 (122/337) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -0.216 7.742 3.741) 8.601 1.940 ( -4.822 8.977 0.354) 10.197 2.456 ( -6.500 2.015 -2.062) 7.111 2.544 ( -3.839 -7.269 -0.316) 8.226 2.924 ( -0.500 -4.771 11.359) 12.331 3.380 ( -2.799 -0.043 -6.864) 7.413 3.852 ( -3.162 0.427 -6.221) 6.991 4.001 ( 7.546 -1.656 -1.915) 7.959 4.093 ( -2.126 16.300 9.221) 18.848 4.461 ( -3.591 -15.066 4.682) 16.180 4.680 ( 2.599 5.540 4.096) 7.363 4.947 ( -7.957 -9.241 17.569) 21.386 6.080 ( 4.196 2.112 -7.791) 9.098 6.213 ( -0.530 -0.137 -3.765) 3.804 7.098 ( -24.590 1.089 18.237) 30.634 7.470 ( -4.667 3.668 6.073) 8.493 7.598 ( 1.869 -9.408 -0.381) 9.600 7.956 ( -7.602 0.555 6.514) 10.026 8.716 ( 0.957 -0.145 9.459) 9.508 8.738 ( 7.193 -3.696 4.344) 9.180 10.220 ( -1.266 0.709 -5.940) 6.114 10.309 ( -1.677 -1.414 7.266) 7.590 10.693 ( -6.136 13.357 8.313) 16.886 11.730 ( 0.890 -8.982 1.301) 9.119 11.881 ( 1.415 6.475 5.221) 8.438 12.026 ( 3.186 -7.595 2.645) 8.651 13.056 ( 1.577 10.384 -17.681) 20.565 13.448 ( -9.230 -9.327 -7.532) 15.130 14.401 ( 5.428 -1.183 15.375) 16.348 15.949 ( 8.228 0.747 -7.421) 11.105 16.166 ( -0.054 1.354 -6.633) 6.770 16.645 ( 0.557 -0.086 4.788) 4.821 16.735 ( -10.502 -1.187 -0.765) 10.597 17.517 ( 14.193 0.140 -0.150) 14.195 18.423 ( -2.205 1.560 -3.669) 4.556 18.448 ( -5.113 -1.159 0.375) 5.256 ======================= Grid point 257 (123/337) ======================= q-point: (-0.40 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 2.447 11.849 9.087) 15.132 1.850 ( 1.941 10.789 4.257) 11.760 2.366 ( -1.980 1.025 -0.789) 2.365 2.601 ( 2.117 -6.950 0.071) 7.266 3.086 ( -0.247 -6.486 8.251) 10.498 3.244 ( -6.388 -2.389 -7.101) 9.845 3.736 ( -2.991 -0.074 -5.439) 6.207 3.952 ( -5.770 13.597 4.933) 15.573 4.125 ( 8.315 3.315 1.674) 9.106 4.629 ( 1.666 -14.474 3.266) 14.931 4.758 ( 2.647 2.151 6.679) 7.500 5.131 ( -5.890 -10.271 15.538) 19.535 5.994 ( -0.051 3.030 -8.012) 8.566 6.174 ( 1.458 -0.036 -5.001) 5.210 7.000 ( -20.304 -0.423 19.362) 28.059 7.464 ( -3.983 0.860 7.331) 8.388 7.710 ( 1.989 -10.318 -0.364) 10.514 7.916 ( -7.113 1.301 5.841) 9.296 8.763 ( -0.607 -4.216 4.658) 6.312 9.061 ( 9.529 -1.967 15.624) 18.406 10.202 ( 8.092 2.816 -2.868) 9.035 10.391 ( -2.746 -2.884 8.736) 9.601 10.566 ( -5.175 18.511 9.199) 21.309 11.703 ( -7.703 -0.484 -0.226) 7.721 11.950 ( -3.813 -5.152 3.933) 7.520 12.184 ( 4.950 -4.951 4.314) 8.223 12.734 ( 0.800 18.222 -16.108) 24.334 13.395 ( -1.438 -17.315 -10.670) 20.390 14.645 ( 2.121 -4.735 14.483) 15.384 15.910 ( 2.062 5.209 -8.360) 10.064 16.101 ( 4.272 -1.117 -8.671) 9.730 16.596 ( -12.652 -3.604 6.921) 14.864 16.735 ( 6.595 2.172 -2.211) 7.287 17.699 ( 9.861 0.123 3.333) 10.410 18.317 ( 0.021 2.067 -9.223) 9.451 18.397 ( -5.592 -0.741 2.114) 6.024 ======================= Grid point 258 (124/337) ======================= q-point: (-0.30 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 3.997 12.613 11.056) 17.242 1.926 ( 12.473 8.297 8.321) 17.136 2.368 ( 3.157 -1.826 -1.011) 3.784 2.697 ( 3.414 -4.105 0.506) 5.364 3.102 ( -8.669 -5.132 -4.524) 11.043 3.197 ( -0.746 -6.989 0.328) 7.036 3.666 ( -1.802 -1.918 -2.195) 3.427 3.838 ( -3.023 13.331 8.622) 16.161 4.221 ( 8.437 4.152 0.745) 9.433 4.794 ( -1.430 -11.698 -0.322) 11.789 4.838 ( 5.238 0.599 2.827) 5.982 5.319 ( -4.853 -9.917 14.972) 18.603 5.853 ( -4.562 2.575 -6.312) 8.203 6.113 ( -0.980 1.153 -6.537) 6.710 6.987 ( -15.119 -0.645 19.646) 24.798 7.529 ( -2.047 -3.181 9.918) 10.615 7.815 ( -2.294 -9.308 1.723) 9.740 7.892 ( -1.833 -0.597 4.287) 4.701 8.873 ( 1.228 -5.751 5.421) 7.998 9.321 ( 2.903 -0.100 11.529) 11.889 10.247 ( 3.660 17.831 5.447) 19.000 10.468 ( -5.445 -3.838 8.495) 10.796 10.532 ( 7.426 5.887 8.413) 12.672 11.563 ( -9.773 0.946 -2.631) 10.165 11.908 ( -5.534 3.046 -0.243) 6.322 12.314 ( -2.404 -6.484 5.358) 8.748 12.465 ( 2.567 13.972 -8.565) 16.588 13.447 ( 4.504 -16.833 -11.578) 20.921 14.880 ( 0.914 -10.441 11.109) 15.273 15.753 ( -0.481 8.783 -8.192) 12.020 16.087 ( 4.410 -4.071 -9.428) 11.177 16.570 ( -9.461 -3.946 8.085) 13.055 16.765 ( 8.131 4.265 -4.988) 10.450 17.849 ( 2.343 -0.224 7.379) 7.745 18.187 ( 2.859 5.268 -10.335) 11.948 18.367 ( -2.568 -2.299 0.284) 3.459 ======================= Grid point 259 (125/337) ======================= q-point: (-0.20 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 4.316 11.294 9.320) 15.266 2.175 ( 16.663 6.270 9.092) 19.990 2.451 ( 5.733 -6.539 -2.477) 9.043 2.768 ( -1.283 -3.989 2.736) 5.004 3.003 ( -7.276 -6.916 -2.310) 10.300 3.193 ( -0.049 -3.019 -6.512) 7.178 3.661 ( 1.697 0.455 -0.565) 1.846 3.859 ( 0.195 6.886 13.453) 15.115 4.305 ( 9.412 4.770 0.018) 10.551 4.758 ( -1.571 1.292 -7.188) 7.471 4.944 ( 0.357 -7.522 0.005) 7.530 5.509 ( -3.173 -8.036 12.711) 15.369 5.697 ( -7.743 0.353 -3.478) 8.495 5.984 ( -5.510 1.316 -4.300) 7.113 7.024 ( -12.393 0.932 19.019) 22.720 7.674 ( 1.101 -6.627 6.613) 9.427 7.830 ( -11.440 -3.316 13.032) 17.656 8.018 ( 7.968 -8.710 -0.154) 11.806 8.995 ( 1.196 -5.156 3.380) 6.280 9.382 ( -3.928 2.641 2.827) 5.513 10.145 ( -3.195 21.709 11.596) 24.818 10.472 ( -10.228 -2.680 5.338) 11.844 10.800 ( 15.808 0.528 8.534) 17.973 11.392 ( -6.313 2.043 -3.317) 7.419 11.810 ( -1.606 5.847 1.260) 6.193 12.285 ( -6.980 2.202 -0.437) 7.332 12.402 ( -0.105 0.038 2.097) 2.100 13.534 ( 6.253 -12.325 -9.322) 16.671 15.063 ( -1.667 -10.243 1.666) 10.511 15.609 ( 2.622 5.667 -4.916) 7.947 16.073 ( 2.386 -4.966 -8.091) 9.789 16.564 ( -9.904 -3.105 7.810) 12.989 16.783 ( 11.699 5.291 -7.657) 14.950 17.880 ( -7.887 2.980 4.950) 9.777 18.132 ( 9.512 4.620 -4.051) 11.324 18.377 ( 0.514 -4.078 -0.968) 4.222 ======================= Grid point 260 (126/337) ======================= q-point: (-0.10 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 4.253 6.260 3.616) 8.387 2.411 ( 8.129 2.464 6.627) 10.773 2.581 ( 11.258 -4.608 -2.408) 12.401 2.745 ( -15.994 -8.109 3.875) 18.346 3.000 ( -1.576 -7.639 -1.720) 7.987 3.166 ( 8.090 3.103 -3.804) 9.463 3.675 ( 2.764 3.736 -0.233) 4.653 3.963 ( -0.532 4.189 10.839) 11.633 4.406 ( 9.161 2.484 1.029) 9.547 4.605 ( 0.171 3.774 -11.521) 12.125 4.970 ( -3.584 -6.006 -1.444) 7.141 5.515 ( -8.763 3.505 -2.001) 9.648 5.629 ( -7.494 -5.648 4.015) 10.207 5.940 ( -1.862 -5.140 5.900) 8.043 7.046 ( -12.149 3.073 17.263) 21.331 7.730 ( -2.117 -5.024 -3.009) 6.227 7.959 ( -10.092 -5.586 26.057) 28.496 8.215 ( 8.364 -8.696 -0.497) 12.075 9.040 ( -1.759 -1.970 -1.816) 3.205 9.267 ( -7.009 3.640 -2.126) 8.179 10.080 ( -2.376 15.352 12.555) 19.974 10.362 ( -13.649 -3.639 0.347) 14.130 11.025 ( 10.002 7.419 3.648) 12.976 11.333 ( 0.384 -0.509 1.489) 1.620 11.817 ( 1.050 0.797 5.110) 5.277 12.162 ( -6.084 3.786 0.115) 7.167 12.428 ( -2.015 -1.006 5.380) 5.833 13.618 ( 5.635 -7.619 -5.940) 11.184 14.985 ( -5.012 1.924 -11.519) 12.708 15.657 ( 4.661 -6.255 0.564) 7.821 16.066 ( 2.823 -3.739 -5.588) 7.292 16.527 ( -10.178 -2.137 6.162) 12.089 16.821 ( 13.798 4.459 -8.848) 16.986 17.756 ( -7.363 5.919 1.102) 9.511 18.219 ( 6.660 2.519 3.031) 7.739 18.426 ( 2.025 -5.355 -1.216) 5.853 ======================= Grid point 266 (127/337) ======================= q-point: (-0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 335 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 3.675 0.000 6.796) 7.726 1.952 ( 0.874 -0.000 1.285) 1.554 2.385 ( -3.490 -0.000 -1.367) 3.748 2.502 ( 3.405 -0.000 1.222) 3.617 3.031 ( -0.084 -0.000 9.439) 9.440 3.219 ( -8.158 -0.000 -7.155) 10.851 3.732 ( -3.079 -0.000 -6.057) 6.794 4.067 ( 6.998 -0.000 -3.827) 7.976 4.315 ( 1.638 0.000 9.173) 9.318 4.339 ( -4.411 -0.000 5.017) 6.680 4.810 ( 5.403 -0.000 2.334) 5.886 5.016 ( -6.899 -0.000 19.762) 20.932 6.022 ( 0.002 -0.000 -8.790) 8.790 6.173 ( 1.213 -0.000 -4.326) 4.493 6.991 ( -22.268 -0.000 20.389) 30.193 7.530 ( 4.250 -0.000 -4.115) 5.916 7.562 ( -4.334 0.000 9.501) 10.442 7.930 ( -6.904 -0.000 5.590) 8.883 8.721 ( -0.427 -0.000 3.804) 3.828 9.045 ( 10.024 -0.000 16.788) 19.553 10.220 ( 8.658 -0.000 -2.932) 9.141 10.363 ( -3.239 -0.000 8.788) 9.366 10.771 ( -5.311 -0.000 8.758) 10.242 11.651 ( -7.366 -0.000 -0.582) 7.389 11.922 ( -5.741 -0.000 5.741) 8.119 12.133 ( 6.536 0.000 5.158) 8.326 13.008 ( 10.991 0.000 -17.744) 20.872 13.134 ( -11.697 -0.000 -9.506) 15.073 14.604 ( 1.012 -0.000 13.780) 13.817 15.959 ( 5.608 -0.000 -8.521) 10.201 16.089 ( 0.516 0.000 -8.665) 8.681 16.564 ( -11.727 -0.000 6.373) 13.347 16.755 ( 6.827 -0.000 -1.691) 7.033 17.700 ( 9.598 -0.000 3.354) 10.167 18.335 ( 0.676 -0.000 -9.071) 9.096 18.391 ( -5.932 -0.000 2.091) 6.290 ======================= Grid point 268 (128/337) ======================= q-point: (-0.40 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 10.587 3.593 2.306) 11.415 2.060 ( 5.867 6.549 9.418) 12.884 2.344 ( -1.283 -0.531 0.295) 1.420 2.620 ( 8.011 -3.617 -0.378) 8.798 3.025 ( -9.952 -2.590 -5.680) 11.748 3.107 ( -2.421 -2.844 4.355) 5.737 3.648 ( -1.832 -0.314 -2.518) 3.130 4.062 ( 2.139 9.075 -0.318) 9.329 4.305 ( 3.843 6.850 5.180) 9.409 4.538 ( 0.433 -14.574 4.951) 15.398 4.877 ( 3.965 1.948 0.296) 4.428 5.178 ( -3.407 -5.011 15.913) 17.028 5.888 ( -4.816 1.149 -7.599) 9.070 6.125 ( -0.548 0.280 -6.079) 6.110 6.968 ( -16.260 -0.976 20.817) 26.433 7.532 ( 2.819 2.939 1.686) 4.407 7.658 ( -1.623 -7.294 5.904) 9.523 7.897 ( -6.416 0.377 5.491) 8.453 8.796 ( 1.907 -2.460 5.192) 6.053 9.322 ( 4.058 0.132 12.951) 13.573 10.385 ( 5.777 1.755 5.481) 8.155 10.410 ( 3.343 -1.819 6.625) 7.641 10.760 ( -2.621 12.159 9.529) 15.669 11.517 ( -12.271 -4.493 -2.376) 13.282 11.900 ( -6.363 -1.039 3.977) 7.575 12.236 ( -2.013 -2.184 4.986) 5.804 12.771 ( -0.511 17.935 -9.812) 20.450 13.140 ( 9.564 -17.183 -12.042) 23.060 14.756 ( -1.350 -3.530 11.378) 11.989 15.889 ( 1.256 6.241 -7.820) 10.083 16.009 ( 1.636 -4.569 -10.220) 11.314 16.525 ( -6.842 -1.215 6.925) 9.810 16.816 ( 7.883 1.471 -4.086) 9.001 17.846 ( 2.366 -0.087 7.547) 7.910 18.253 ( 4.989 2.219 -10.387) 11.735 18.333 ( -4.523 -1.385 -0.086) 4.731 ======================= Grid point 269 (129/337) ======================= q-point: (-0.30 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 4.456 9.391 5.856) 11.931 2.261 ( 16.236 3.346 5.726) 17.538 2.363 ( 1.681 -2.787 0.189) 3.260 2.692 ( -5.637 -5.661 0.257) 7.993 2.919 ( 0.738 -0.804 -2.776) 2.983 3.127 ( 0.784 -4.501 -2.964) 5.446 3.643 ( 0.060 -1.429 2.490) 2.871 4.015 ( -0.048 8.891 4.748) 10.080 4.379 ( 6.421 3.578 2.090) 7.642 4.677 ( 0.557 -8.521 -1.199) 8.623 4.895 ( 2.314 0.640 -2.178) 3.242 5.363 ( -0.748 -7.052 12.086) 14.013 5.715 ( -8.883 1.084 -3.839) 9.738 6.002 ( -5.674 0.659 -6.797) 8.878 7.019 ( -12.761 -1.027 20.474) 24.147 7.603 ( 5.017 -1.381 1.606) 5.445 7.760 ( -6.775 -4.821 11.651) 14.315 7.903 ( 0.319 -3.610 2.872) 4.624 8.915 ( 2.848 -3.458 4.453) 6.317 9.422 ( -2.186 1.660 3.690) 4.598 10.337 ( -13.827 0.004 6.060) 15.096 10.615 ( 3.497 16.500 9.997) 19.606 10.816 ( 13.053 2.298 10.181) 16.713 11.365 ( -10.672 -5.111 -2.913) 12.186 11.857 ( -5.201 0.425 2.637) 5.847 12.241 ( -7.600 -3.735 3.801) 9.282 12.550 ( -0.640 11.968 -4.277) 12.726 13.318 ( 13.555 -11.481 -8.517) 19.700 14.894 ( -1.592 -7.459 7.233) 10.512 15.732 ( 0.326 7.114 -9.584) 11.940 15.981 ( 1.984 -5.281 -6.925) 8.932 16.527 ( -6.279 -1.219 6.342) 9.008 16.856 ( 10.061 2.863 -6.807) 12.480 17.920 ( -5.092 1.603 8.486) 10.025 18.202 ( 6.037 3.283 -6.190) 9.248 18.310 ( 1.257 -3.440 -3.449) 5.031 ======================= Grid point 270 (130/337) ======================= q-point: (-0.20 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -1.902 5.791 -1.305) 6.233 2.432 ( 3.922 0.908 3.957) 5.645 2.501 ( 3.674 -5.732 1.657) 7.007 2.642 ( -4.227 -3.362 4.189) 6.835 2.930 ( 1.910 0.206 -1.685) 2.555 3.198 ( 13.160 0.091 -3.271) 13.560 3.703 ( 0.952 -0.297 3.035) 3.194 4.011 ( -3.428 1.594 6.176) 7.241 4.447 ( 4.400 2.094 0.901) 4.956 4.655 ( 2.483 1.372 -10.452) 10.830 4.903 ( 1.250 -1.389 -0.872) 2.062 5.508 ( -5.311 -6.743 2.010) 8.815 5.568 ( -6.753 1.835 2.967) 7.601 5.859 ( -6.184 -3.638 -1.025) 7.248 7.076 ( -13.009 0.300 19.130) 23.136 7.671 ( 2.671 -1.565 -3.072) 4.361 7.866 ( -10.136 -4.568 23.174) 25.703 8.046 ( 8.367 -9.383 -0.569) 12.584 9.004 ( 0.758 -1.887 0.830) 2.197 9.335 ( -5.952 3.517 -3.300) 7.661 10.176 ( -16.699 -1.868 2.007) 16.922 10.530 ( -4.886 19.188 9.723) 22.059 11.131 ( 13.757 4.095 8.016) 16.440 11.276 ( -5.681 -5.541 1.106) 8.013 11.841 ( -0.575 1.722 4.343) 4.708 12.191 ( -8.907 -1.280 3.089) 9.514 12.447 ( -1.221 3.479 1.264) 3.898 13.497 ( 12.498 -5.651 -4.897) 14.564 14.958 ( -1.957 -4.257 -4.091) 6.220 15.604 ( 0.614 0.032 -5.880) 5.912 16.000 ( 3.570 -3.404 -3.074) 5.813 16.506 ( -7.239 -0.459 4.731) 8.661 16.891 ( 11.971 3.221 -8.666) 15.125 17.862 ( -6.753 6.105 3.128) 9.626 18.241 ( 3.303 -1.060 2.564) 4.314 18.339 ( 4.626 -3.365 -4.381) 7.205 ======================= Grid point 271 (131/337) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -5.298 -2.569 -6.253) 8.589 2.424 ( -21.375 -11.095 2.025) 24.168 2.513 ( 4.599 2.748 3.229) 6.255 2.804 ( 13.689 1.937 0.819) 13.850 2.946 ( 2.128 0.235 2.174) 3.051 3.369 ( 14.567 4.564 0.822) 15.287 3.693 ( -4.396 2.487 0.115) 5.053 4.003 ( -8.815 -3.705 3.775) 10.280 4.434 ( -4.917 0.927 -2.307) 5.510 4.602 ( 13.512 2.006 -10.570) 17.272 4.930 ( 3.022 1.540 0.571) 3.439 5.363 ( -12.750 1.803 -1.685) 12.986 5.530 ( -6.570 -3.757 2.138) 7.865 5.945 ( 2.814 -9.246 5.200) 10.975 7.087 ( -14.091 1.744 17.218) 22.317 7.661 ( -0.821 -0.265 -0.969) 1.297 8.066 ( -9.813 -6.266 25.503) 28.035 8.228 ( 6.929 -7.998 -2.420) 10.855 8.943 ( -6.128 0.448 -5.940) 8.546 9.191 ( -2.654 4.204 -3.740) 6.222 9.987 ( -16.280 -8.001 -1.594) 18.210 10.407 ( -4.160 17.063 8.506) 19.514 11.192 ( 0.887 1.328 0.214) 1.611 11.363 ( 0.574 2.255 5.449) 5.925 11.906 ( 3.115 2.553 6.036) 7.256 12.097 ( -8.319 1.127 2.214) 8.682 12.507 ( 1.281 -3.156 9.772) 10.348 13.645 ( 10.831 -0.626 -2.061) 11.043 14.795 ( -3.035 3.507 -17.390) 17.998 15.626 ( 0.459 -7.836 0.113) 7.850 16.069 ( 5.568 -1.842 -0.009) 5.865 16.451 ( -6.662 -0.336 2.279) 7.049 16.928 ( 12.522 2.808 -9.559) 16.002 17.733 ( -6.778 7.336 1.543) 10.106 18.341 ( 1.791 -1.599 5.911) 6.380 18.386 ( 3.765 -4.210 -3.568) 6.681 ======================= Grid point 278 (132/337) ======================= q-point: (-0.40 0.60 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 9.962 -0.000 -1.687) 10.104 2.280 ( 6.837 -0.000 8.645) 11.022 2.366 ( 3.534 -0.000 6.841) 7.700 2.611 ( -8.115 0.000 -5.398) 9.746 2.941 ( 10.435 -0.000 -2.018) 10.628 3.066 ( -3.954 0.000 -0.427) 3.977 3.629 ( -0.844 0.000 2.697) 2.826 4.108 ( -0.573 0.000 -1.812) 1.901 4.423 ( 2.406 -0.000 3.565) 4.301 4.572 ( 5.551 -0.000 3.630) 6.632 4.905 ( 2.185 -0.000 -3.106) 3.797 5.295 ( -0.107 0.000 11.926) 11.927 5.725 ( -9.199 0.000 -4.105) 10.073 6.007 ( -5.732 0.000 -7.416) 9.373 7.007 ( -12.818 0.000 20.952) 24.562 7.603 ( 8.089 -0.000 -4.482) 9.248 7.701 ( -4.724 0.000 14.422) 15.176 7.876 ( -4.761 0.000 4.812) 6.769 8.883 ( 3.511 -0.000 4.986) 6.098 9.437 ( -1.559 0.000 3.905) 4.204 10.328 ( -14.096 0.000 5.808) 15.246 10.748 ( 19.897 -0.000 10.556) 22.524 10.906 ( -1.459 0.000 10.608) 10.708 11.276 ( -13.855 0.000 -2.802) 14.136 11.857 ( -4.875 0.000 3.632) 6.079 12.205 ( -6.871 0.000 3.123) 7.547 12.688 ( -8.560 0.000 -5.072) 9.950 13.190 ( 21.875 -0.000 -8.177) 23.354 14.825 ( -2.234 0.000 8.540) 8.827 15.822 ( -1.369 0.000 -14.428) 14.493 15.909 ( 3.242 -0.000 -3.004) 4.419 16.517 ( -5.059 0.000 5.845) 7.731 16.881 ( 9.485 -0.000 -6.436) 11.462 17.935 ( -3.614 0.000 9.831) 10.474 18.247 ( -4.888 0.000 -1.518) 5.119 18.263 ( 10.751 -0.000 -9.740) 14.507 ======================= Grid point 280 (133/337) ======================= q-point: (-0.30 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -7.613 4.125 -0.831) 8.698 2.384 ( -13.629 -5.490 -3.331) 15.066 2.459 ( 5.338 1.157 7.391) 9.190 2.606 ( 14.039 -1.001 4.667) 14.829 2.990 ( 2.555 4.824 -2.191) 5.882 3.163 ( 17.603 -3.371 -2.907) 18.157 3.683 ( -0.020 -1.128 6.239) 6.340 4.029 ( -6.871 0.488 -1.612) 7.075 4.475 ( 1.150 0.922 0.632) 1.604 4.662 ( 6.382 -0.041 -4.694) 7.922 4.902 ( 3.791 0.422 -2.343) 4.477 5.408 ( -1.849 -3.469 3.563) 5.306 5.593 ( -7.439 0.774 5.201) 9.110 5.816 ( -9.721 -1.227 -6.580) 11.803 7.069 ( -13.333 -0.520 20.222) 24.228 7.665 ( 7.692 0.302 -4.341) 8.837 7.809 ( -10.972 -1.691 21.030) 23.781 7.918 ( 5.666 -4.242 0.227) 7.081 8.980 ( 2.401 -0.742 2.550) 3.580 9.379 ( -4.962 1.323 -3.820) 6.400 10.146 ( -18.377 -0.971 0.999) 18.430 10.870 ( -5.932 17.618 8.608) 20.486 11.125 ( -2.633 -9.988 7.313) 12.656 11.181 ( 9.483 -0.099 6.074) 11.262 11.867 ( -0.277 0.955 5.592) 5.679 12.149 ( -7.484 -2.037 3.658) 8.576 12.513 ( -7.850 2.589 -2.281) 8.575 13.427 ( 19.778 -2.110 -4.073) 20.303 14.884 ( -1.142 -2.825 2.099) 3.701 15.623 ( -2.044 1.110 -12.988) 13.194 15.955 ( 4.805 -1.450 -0.644) 5.061 16.503 ( -5.471 -0.004 3.965) 6.756 16.930 ( 10.737 1.149 -8.279) 13.606 17.961 ( -4.782 4.276 6.833) 9.373 18.180 ( -3.322 -3.799 -0.869) 5.120 18.320 ( 9.349 0.054 -5.305) 10.750 ======================= Grid point 281 (134/337) ======================= q-point: (-0.20 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -14.076 1.376 -4.217) 14.758 2.220 ( -21.307 -11.130 1.805) 24.107 2.582 ( 6.106 3.955 4.199) 8.400 2.833 ( 13.653 0.956 0.283) 13.689 3.002 ( 7.042 5.778 1.360) 9.210 3.405 ( 16.813 -1.313 -1.411) 16.923 3.733 ( -3.338 2.092 2.450) 4.639 3.901 ( -11.798 -5.767 0.022) 13.132 4.437 ( -5.218 -0.531 -1.061) 5.352 4.650 ( 10.374 3.048 -11.881) 16.064 4.966 ( 7.573 1.769 0.520) 7.794 5.358 ( -10.739 -2.079 2.039) 11.127 5.519 ( -8.353 2.820 -2.170) 9.080 5.781 ( 1.651 -8.741 5.084) 10.246 7.098 ( -15.700 -0.172 19.004) 24.651 7.685 ( 2.718 2.695 -1.634) 4.161 7.946 ( -9.530 -6.841 21.798) 24.755 8.085 ( 9.905 -6.664 -0.467) 11.947 8.955 ( -6.294 0.674 -4.819) 7.956 9.259 ( -0.531 2.997 -4.122) 5.124 9.890 ( -19.122 -3.173 -2.569) 19.553 10.704 ( -7.059 15.478 6.011) 18.043 11.135 ( -7.195 -5.750 2.959) 9.674 11.434 ( 6.375 3.533 9.223) 11.755 11.953 ( 3.476 2.940 7.701) 8.946 12.116 ( -5.483 0.682 3.436) 6.506 12.431 ( -4.971 -4.800 5.084) 8.579 13.655 ( 17.213 1.299 -1.010) 17.292 14.827 ( -0.744 0.367 -14.252) 14.276 15.513 ( -1.538 -4.487 -2.864) 5.541 16.044 ( 5.795 -0.925 1.520) 6.062 16.455 ( -5.188 0.447 0.881) 5.281 16.968 ( 11.189 1.565 -9.319) 14.646 17.877 ( -5.207 8.886 2.207) 10.533 18.217 ( -1.133 -8.852 1.392) 9.032 18.387 ( 5.446 0.878 -0.251) 5.522 ======================= Grid point 282 (135/337) ======================= q-point: (-0.10 -0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -15.156 -5.479 -4.290) 16.677 2.032 ( -23.826 -11.743 1.586) 26.610 2.657 ( 6.647 4.777 1.150) 8.266 2.960 ( 6.507 3.742 1.196) 7.601 3.073 ( 2.572 2.194 2.356) 4.120 3.543 ( -3.199 -4.150 0.168) 5.242 3.617 ( 1.590 6.109 -3.686) 7.310 3.818 ( -11.049 -4.072 1.850) 11.920 4.360 ( -2.297 0.895 -1.757) 3.028 4.681 ( 13.781 0.026 -9.409) 16.687 5.052 ( 5.427 3.919 1.362) 6.831 5.199 ( -11.056 4.300 -0.389) 11.869 5.426 ( -4.927 -6.091 1.445) 7.967 5.976 ( 6.439 -8.711 3.115) 11.271 7.079 ( -17.360 0.195 17.864) 24.910 7.676 ( 0.939 3.041 0.794) 3.280 8.132 ( -10.613 -8.339 20.264) 24.348 8.241 ( 5.821 -2.170 -0.255) 6.218 8.751 ( -8.480 -1.257 -8.097) 11.792 9.195 ( 1.750 6.440 -3.593) 7.580 9.667 ( -15.127 -8.486 -2.369) 17.506 10.552 ( -5.686 13.123 4.639) 15.035 11.108 ( -8.081 -5.549 1.425) 9.906 11.475 ( -1.964 7.891 3.546) 8.871 12.010 ( -6.463 1.911 6.139) 9.117 12.116 ( 7.155 5.938 4.388) 10.281 12.594 ( -0.033 -10.894 14.758) 18.343 13.845 ( 14.901 5.954 0.583) 16.057 14.545 ( -2.498 3.232 -26.280) 26.595 15.571 ( -0.251 -7.836 3.193) 8.465 16.156 ( 4.411 -0.804 3.988) 6.001 16.383 ( -2.286 0.140 -3.370) 4.075 16.999 ( 11.251 1.390 -9.645) 14.885 17.737 ( -6.408 9.790 1.930) 11.858 18.307 ( 1.395 -9.177 -0.951) 9.331 18.447 ( 0.958 1.217 5.027) 5.260 ======================= Grid point 290 (136/337) ======================= q-point: (-0.30 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 335 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -18.438 0.000 1.131) 18.472 2.055 ( -20.342 0.000 -2.406) 20.483 2.622 ( 6.313 -0.000 4.809) 7.936 2.840 ( 13.678 -0.000 -0.011) 13.678 3.082 ( 10.006 -0.000 1.244) 10.083 3.365 ( 15.025 -0.000 -3.444) 15.415 3.755 ( -1.876 0.000 8.165) 8.378 3.847 ( -11.298 0.000 -5.630) 12.623 4.430 ( -5.615 0.000 -1.907) 5.930 4.681 ( 9.171 -0.000 -11.510) 14.717 4.982 ( 8.659 -0.000 0.320) 8.665 5.332 ( -9.442 0.000 3.501) 10.070 5.577 ( -11.449 0.000 -6.721) 13.276 5.674 ( 3.041 -0.000 8.724) 9.239 7.094 ( -16.029 0.000 19.621) 25.336 7.726 ( 7.632 -0.000 -4.620) 8.921 7.866 ( -12.605 0.000 20.664) 24.205 8.023 ( 9.599 -0.000 2.366) 9.887 8.961 ( -5.995 0.000 -4.326) 7.393 9.287 ( 0.347 -0.000 -4.235) 4.249 9.864 ( -19.905 0.000 -2.642) 20.080 10.884 ( -9.161 0.000 -0.737) 9.190 11.047 ( -7.262 0.000 9.845) 12.234 11.463 ( 6.047 -0.000 10.521) 12.135 11.990 ( 4.625 -0.000 9.046) 10.160 12.120 ( -2.065 0.000 5.622) 5.989 12.378 ( -10.258 0.000 0.719) 10.283 13.671 ( 19.912 -0.000 -0.714) 19.925 14.826 ( 0.018 -0.000 -11.442) 11.442 15.474 ( -2.395 0.000 -5.599) 6.089 16.036 ( 5.987 -0.000 1.999) 6.311 16.460 ( -4.704 0.000 0.481) 4.728 16.982 ( 10.652 -0.000 -9.182) 14.063 18.016 ( -2.462 0.000 5.679) 6.190 18.079 ( -3.755 0.000 -2.291) 4.399 18.395 ( 5.530 -0.000 -0.153) 5.532 ======================= Grid point 291 (137/337) ======================= q-point: (-0.20 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -21.724 2.995 -0.018) 21.929 1.834 ( -24.409 -9.777 2.253) 26.390 2.731 ( 6.393 2.724 1.301) 7.070 2.987 ( 9.114 -0.075 -0.287) 9.118 3.185 ( -1.206 9.941 -0.712) 10.039 3.387 ( -6.472 -11.621 -2.932) 13.621 3.717 ( 5.105 4.348 -4.327) 7.980 3.786 ( -6.343 -0.939 4.690) 7.944 4.352 ( -2.733 -0.944 0.435) 2.924 4.689 ( 14.218 0.484 -12.772) 19.119 5.100 ( 5.286 1.700 2.001) 5.903 5.255 ( -8.536 0.594 4.548) 9.691 5.365 ( -7.275 -0.332 -5.359) 9.042 5.847 ( 6.438 -4.687 5.291) 9.561 7.077 ( -18.713 -0.170 19.292) 26.877 7.747 ( 3.759 4.075 -1.620) 5.776 7.980 ( -8.503 -7.029 18.799) 21.797 8.197 ( 8.635 -1.810 3.425) 9.464 8.744 ( -11.155 0.060 -9.143) 14.423 9.283 ( 4.327 2.899 -2.836) 5.930 9.573 ( -17.870 -2.555 -3.472) 18.383 10.740 ( -6.591 6.712 0.584) 9.425 11.030 ( -9.980 -2.794 4.936) 11.479 11.553 ( -5.080 1.313 6.759) 8.556 12.124 ( -2.013 10.383 8.643) 13.658 12.187 ( 7.557 2.156 5.046) 9.339 12.372 ( -4.258 -13.280 10.834) 17.660 13.931 ( 18.502 2.984 1.782) 18.825 14.585 ( -1.194 1.159 -28.404) 28.453 15.462 ( -1.400 -3.605 4.288) 5.775 16.147 ( 4.295 -0.189 4.379) 6.137 16.388 ( -1.818 0.235 -4.484) 4.845 17.016 ( 10.381 0.476 -9.569) 14.127 17.925 ( -3.787 11.119 1.168) 11.804 18.128 ( -0.345 -10.742 0.848) 10.781 18.463 ( 1.132 0.495 4.559) 4.723 ======================= Grid point 292 (138/337) ======================= q-point: (-0.10 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -21.758 -3.870 1.816) 22.174 1.621 ( -25.096 -10.696 3.461) 27.499 2.783 ( -0.357 -0.206 -0.708) 0.820 2.833 ( -26.589 0.633 -1.207) 26.624 3.093 ( 4.297 -0.793 1.671) 4.679 3.500 ( 8.934 -4.318 -1.146) 9.989 3.637 ( -7.046 5.666 0.080) 9.042 3.736 ( -2.799 1.773 -0.726) 3.392 4.377 ( 4.540 2.996 -1.210) 5.572 4.776 ( 13.211 -1.049 -6.549) 14.782 5.028 ( -11.793 5.408 2.481) 13.209 5.247 ( 7.936 5.802 -3.309) 10.373 5.338 ( -0.323 -9.503 2.980) 9.964 6.030 ( 7.229 -6.236 1.164) 9.617 7.032 ( -19.866 -0.234 19.141) 27.588 7.741 ( 1.611 3.952 0.992) 4.381 8.123 ( -7.425 -3.041 11.869) 14.326 8.333 ( 1.385 0.799 7.480) 7.649 8.547 ( -4.796 -4.717 -5.619) 8.765 9.235 ( -0.191 5.492 -3.862) 6.717 9.403 ( -8.646 -6.991 -0.465) 11.129 10.595 ( -6.086 8.730 1.054) 10.694 10.950 ( -10.834 -3.451 1.406) 11.457 11.492 ( -8.001 3.391 3.051) 9.210 12.063 ( -2.097 9.360 5.756) 11.186 12.340 ( 8.363 4.528 5.210) 10.844 12.649 ( 0.109 -16.588 16.280) 23.242 14.077 ( 3.901 8.530 -17.724) 20.053 14.223 ( 5.201 0.470 -14.239) 15.166 15.557 ( -0.466 -6.190 5.667) 8.405 16.210 ( -4.192 -0.775 2.414) 4.899 16.354 ( 7.842 0.144 -4.874) 9.234 17.045 ( 10.434 0.280 -9.526) 14.131 17.777 ( -5.698 12.483 2.300) 13.914 18.233 ( 2.593 -9.641 -1.794) 10.144 18.524 ( -2.050 0.840 8.465) 8.750 ======================= Grid point 301 (139/337) ======================= q-point: (-0.20 -0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -26.893 0.000 2.529) 27.012 1.489 ( -24.405 0.000 7.119) 25.422 2.749 ( -25.358 0.000 -3.138) 25.551 2.882 ( -7.356 0.000 -1.047) 7.430 3.078 ( 3.874 -0.000 0.731) 3.943 3.452 ( 12.820 -0.000 -2.500) 13.062 3.700 ( -9.507 0.000 1.869) 9.689 3.750 ( -0.288 0.000 -2.402) 2.420 4.404 ( 7.061 -0.000 2.147) 7.380 4.762 ( 13.187 -0.000 -9.668) 16.352 5.110 ( -7.855 0.000 0.861) 7.902 5.220 ( -4.202 0.000 6.011) 7.334 5.303 ( 8.907 -0.000 -5.942) 10.707 5.967 ( 6.714 -0.000 2.798) 7.273 7.029 ( -20.603 0.000 20.093) 28.778 7.791 ( 2.435 -0.000 -2.055) 3.186 8.071 ( -4.980 0.000 19.997) 20.608 8.343 ( 6.531 -0.000 4.567) 7.969 8.500 ( -9.005 0.000 -7.134) 11.488 9.296 ( -14.962 0.000 -2.371) 15.149 9.335 ( 5.231 -0.000 -2.954) 6.008 10.689 ( -4.630 0.000 -0.739) 4.689 10.909 ( -11.954 0.000 2.741) 12.264 11.518 ( -9.639 0.000 5.453) 11.075 12.270 ( -2.643 0.000 5.316) 5.937 12.328 ( 3.507 -0.000 4.319) 5.564 12.430 ( 4.014 -0.000 16.689) 17.165 14.166 ( -6.118 0.000 -36.440) 36.950 14.221 ( 17.023 -0.000 2.551) 17.213 15.496 ( -1.448 0.000 6.942) 7.092 16.204 ( -4.409 0.000 1.948) 4.820 16.355 ( 8.030 -0.000 -5.003) 9.461 17.047 ( 10.078 -0.000 -9.625) 13.936 17.953 ( -4.078 0.000 0.482) 4.106 18.085 ( 2.677 -0.000 0.692) 2.765 18.532 ( -2.184 0.000 8.783) 9.050 ======================= Grid point 302 (140/337) ======================= q-point: (-0.10 -0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -25.368 -3.445 7.037) 26.551 1.262 ( -25.838 -4.917 6.731) 27.149 2.244 ( -45.518 -6.586 9.916) 47.049 2.902 ( 6.557 2.994 -2.291) 7.563 3.105 ( -3.080 -2.158 0.799) 3.845 3.509 ( -2.027 0.753 -2.730) 3.483 3.654 ( 8.905 0.426 -3.997) 9.770 3.726 ( -4.707 1.046 8.143) 9.463 4.448 ( 1.316 6.025 -5.103) 8.004 4.780 ( -0.976 -2.514 -5.917) 6.502 5.031 ( 2.208 4.862 1.515) 5.551 5.333 ( 8.573 -2.768 1.411) 9.119 5.378 ( 6.894 -1.220 1.507) 7.161 6.078 ( 5.324 -3.332 -0.829) 6.335 6.979 ( -20.400 0.016 20.611) 29.000 7.775 ( -0.919 1.317 -0.927) 1.855 8.212 ( 0.533 8.592 8.943) 12.414 8.426 ( 0.407 -8.465 2.809) 8.928 8.468 ( 0.446 2.085 10.738) 10.948 9.127 ( -8.920 -3.431 0.498) 9.571 9.368 ( 4.235 1.182 -1.886) 4.784 10.585 ( -5.372 7.223 -0.763) 9.033 10.800 ( -9.823 -3.230 2.609) 10.665 11.423 ( -9.923 2.922 2.942) 10.754 12.165 ( -1.666 8.354 -8.928) 12.340 12.456 ( 2.689 -7.280 -1.760) 7.958 12.671 ( 2.615 -7.926 4.335) 9.404 13.704 ( -12.580 0.487 -7.904) 14.865 14.424 ( 12.530 4.384 -0.165) 13.276 15.564 ( -1.807 -3.788 5.619) 7.014 16.113 ( -3.061 -0.918 -6.476) 7.221 16.457 ( 7.629 0.177 1.194) 7.724 17.081 ( 10.641 -0.115 -8.942) 13.899 17.844 ( -5.211 11.945 2.417) 13.255 18.174 ( 4.949 -7.963 -3.668) 10.068 18.605 ( -2.931 1.000 10.297) 10.752 ======================= Grid point 312 (141/337) ======================= q-point: (-0.10 -0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 335 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -22.600 0.000 13.731) 26.445 0.950 ( -27.374 0.000 7.289) 28.327 1.814 ( -43.684 0.000 30.109) 53.055 2.987 ( 7.280 -0.000 -0.815) 7.326 3.010 ( -7.815 0.000 -1.089) 7.891 3.472 ( -0.102 0.000 -1.065) 1.070 3.735 ( 12.797 -0.000 -8.621) 15.430 3.868 ( 0.690 -0.000 20.290) 20.301 4.345 ( -6.445 0.000 -7.534) 9.915 4.642 ( -6.651 0.000 -6.499) 9.299 5.117 ( 6.311 -0.000 -3.273) 7.109 5.504 ( 10.946 -0.000 4.159) 11.710 5.509 ( 8.261 -0.000 5.853) 10.125 6.090 ( 1.828 -0.000 -3.170) 3.660 6.950 ( -18.543 0.000 21.272) 28.220 7.749 ( -1.180 0.000 -0.006) 1.180 8.382 ( 6.313 -0.000 -5.893) 8.636 8.430 ( 1.551 -0.000 9.572) 9.697 8.734 ( 9.545 -0.000 18.129) 20.489 9.041 ( -4.505 0.000 5.189) 6.871 9.419 ( 4.694 -0.000 -1.426) 4.906 10.563 ( -2.728 0.000 -2.029) 3.399 10.665 ( -11.759 0.000 -0.657) 11.777 11.358 ( -8.589 0.000 4.127) 9.529 11.462 ( -39.941 0.000 -51.127) 64.879 12.430 ( 0.265 -0.000 1.101) 1.132 12.714 ( 2.109 -0.000 2.292) 3.114 13.929 ( 12.862 -0.000 42.113) 44.033 14.549 ( 7.217 -0.000 -5.866) 9.300 15.563 ( -3.580 0.000 3.687) 5.139 15.995 ( 0.022 -0.000 -9.118) 9.118 16.558 ( 4.632 -0.000 0.774) 4.697 17.147 ( 12.308 -0.000 -6.480) 13.909 17.865 ( -5.773 0.000 3.492) 6.747 18.136 ( 4.432 -0.000 -9.395) 10.388 18.657 ( -5.083 0.000 4.102) 6.531 ======================= Grid point 313 (142/337) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 0.628 -0.000 17.734) 17.745 1.577 ( 7.856 -0.000 20.608) 22.055 2.416 ( -0.815 0.000 16.412) 16.432 2.757 ( -0.868 0.000 -1.798) 1.996 3.413 ( 5.570 -0.000 7.301) 9.183 3.496 ( -12.450 0.000 -7.874) 14.731 3.520 ( 4.083 -0.000 -7.907) 8.899 3.751 ( 11.361 -0.000 2.993) 11.748 4.019 ( -11.157 0.000 -8.876) 14.257 4.681 ( -2.433 0.000 -3.272) 4.077 5.256 ( 7.394 -0.000 6.457) 9.817 5.632 ( -2.103 0.000 -6.386) 6.723 5.996 ( -1.791 0.000 3.583) 4.005 6.051 ( -4.837 0.000 12.663) 13.555 7.301 ( -11.793 0.000 13.396) 17.847 7.986 ( 8.913 -0.000 3.716) 9.656 8.192 ( -3.553 0.000 1.004) 3.692 8.471 ( -24.422 0.000 9.475) 26.195 9.163 ( -0.619 0.000 13.365) 13.379 9.278 ( -1.433 0.000 14.023) 14.096 9.436 ( 0.967 -0.000 -3.464) 3.597 10.416 ( 1.201 -0.000 -0.468) 1.289 10.571 ( 20.708 -0.000 8.170) 22.261 11.215 ( -3.588 0.000 15.286) 15.701 11.299 ( -7.881 0.000 0.534) 7.900 12.426 ( -4.657 0.000 0.946) 4.752 12.801 ( -7.051 0.000 4.064) 8.138 13.984 ( 2.129 -0.000 -19.334) 19.451 15.275 ( -3.629 0.000 -3.314) 4.914 15.671 ( 19.343 -0.000 2.196) 19.467 15.704 ( 7.725 -0.000 -8.477) 11.469 16.350 ( -0.395 0.000 -10.708) 10.716 17.443 ( 10.426 -0.000 1.182) 10.493 17.509 ( -18.526 0.000 -0.491) 18.533 17.949 ( -3.276 0.000 6.745) 7.499 18.527 ( -3.093 0.000 0.848) 3.207 ======================= Grid point 314 (143/337) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 4.648 -3.704 14.009) 15.217 1.926 ( 10.516 -1.018 17.154) 20.147 2.614 ( 10.692 4.237 3.902) 12.145 2.789 ( 5.566 -2.250 0.627) 6.036 3.232 ( -10.125 0.988 -4.501) 11.124 3.411 ( 0.270 8.412 -2.532) 8.789 3.617 ( -0.505 -8.661 -0.159) 8.677 3.746 ( -5.765 -0.801 -9.627) 11.249 3.970 ( 9.354 0.448 6.362) 11.322 4.607 ( -2.882 -1.349 -3.557) 4.772 5.338 ( -0.676 6.408 4.105) 7.640 5.537 ( -5.062 -4.958 -3.618) 7.956 5.981 ( -5.408 1.790 3.515) 6.694 6.116 ( -5.291 0.750 12.143) 13.267 7.290 ( -13.026 -0.411 14.259) 19.318 8.087 ( -2.772 5.625 0.152) 6.273 8.161 ( 4.596 -0.790 0.937) 4.757 8.378 ( -11.695 3.729 20.633) 24.008 9.219 ( -3.880 1.651 2.173) 4.744 9.383 ( -2.809 0.770 -1.085) 3.108 9.480 ( 0.824 -7.909 15.027) 17.001 10.496 ( 5.016 -4.005 3.769) 7.443 10.920 ( 11.709 -2.303 4.401) 12.719 11.134 ( -5.643 5.718 -1.205) 8.124 11.424 ( 2.742 -6.294 15.212) 16.689 12.337 ( -7.845 0.554 -1.235) 7.961 12.724 ( -9.771 1.492 4.441) 10.836 13.810 ( 4.215 3.847 -15.123) 16.163 15.118 ( -10.643 -2.505 -6.451) 12.695 15.699 ( 10.029 6.732 -5.006) 13.075 15.980 ( 20.535 -1.622 -5.245) 21.256 16.230 ( 0.265 -4.236 -10.935) 11.730 17.226 ( -18.644 7.875 5.561) 20.989 17.597 ( 3.655 -6.778 -0.106) 7.702 18.011 ( 0.828 0.039 7.271) 7.318 18.509 ( 0.448 1.129 -0.333) 1.259 ======================= Grid point 315 (144/337) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 5.365 -3.119 6.980) 9.340 2.267 ( 12.257 -1.638 13.334) 18.185 2.618 ( 3.852 6.700 -11.148) 13.565 2.912 ( 9.285 -0.541 1.614) 9.440 3.130 ( -5.840 4.592 1.457) 7.570 3.344 ( -3.459 9.057 0.773) 9.726 3.453 ( -2.626 -5.806 -5.026) 8.116 3.803 ( 0.855 -12.950 -1.178) 13.032 4.164 ( 10.575 0.447 3.764) 11.234 4.545 ( -2.044 -0.659 -3.667) 4.249 5.246 ( -6.126 8.337 1.878) 10.514 5.497 ( -7.997 -5.941 2.253) 10.214 5.896 ( -7.416 3.821 1.681) 8.511 6.169 ( -2.471 3.348 9.111) 10.016 7.279 ( -12.947 -2.578 13.047) 18.560 7.949 ( -8.470 4.966 1.672) 9.960 8.243 ( 5.409 2.673 -0.373) 6.045 8.485 ( -6.142 5.104 23.935) 25.233 9.103 ( -6.130 1.018 -6.191) 8.772 9.313 ( -4.424 1.904 -1.015) 4.922 9.772 ( 1.424 -13.372 15.741) 20.703 10.661 ( 0.859 -4.468 5.917) 7.464 10.845 ( -4.933 7.841 -4.860) 10.461 11.180 ( 3.397 -7.573 1.582) 8.449 11.766 ( 11.933 -2.708 16.653) 20.665 12.184 ( -9.332 0.187 -3.256) 9.886 12.628 ( -9.526 1.813 5.495) 11.146 13.690 ( 4.941 5.798 -9.893) 12.486 14.903 ( -11.734 -3.290 -8.698) 14.972 15.737 ( 9.253 5.482 -2.653) 11.077 16.024 ( 3.585 2.900 -9.052) 10.159 16.306 ( 15.549 -7.948 -9.394) 19.829 16.992 ( -16.802 6.969 7.623) 19.722 17.658 ( -1.285 -5.023 -0.574) 5.217 18.136 ( 4.665 -0.653 7.001) 8.438 18.503 ( 2.188 2.605 -1.361) 3.664 ======================= Grid point 316 (145/337) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 3.788 -0.065 -1.413) 4.044 2.471 ( -0.130 0.568 -9.410) 9.428 2.574 ( 11.082 -1.940 7.677) 13.620 2.957 ( -8.124 10.246 0.815) 13.101 3.113 ( 11.385 1.504 2.381) 11.728 3.117 ( -6.458 5.382 -0.741) 8.439 3.596 ( 2.781 -7.554 3.088) 8.622 3.912 ( 1.622 -13.085 -2.001) 13.336 4.323 ( 9.039 0.902 -0.825) 9.121 4.468 ( -2.346 -0.064 -3.331) 4.075 5.102 ( -8.086 8.035 3.786) 12.011 5.452 ( -11.058 -3.998 4.267) 12.509 5.765 ( -6.254 5.361 -0.473) 8.250 6.183 ( 0.519 6.755 3.485) 7.619 7.285 ( -11.150 -5.466 11.135) 16.679 7.834 ( -9.671 4.329 7.350) 12.895 8.243 ( 1.537 1.922 -4.045) 4.735 8.623 ( -6.736 6.267 23.550) 25.283 8.931 ( -6.919 -1.860 -8.074) 10.795 9.201 ( -4.895 3.387 -3.151) 6.735 10.080 ( -0.389 -15.032 13.821) 20.424 10.483 ( -13.128 12.049 -2.511) 17.995 10.913 ( 8.677 -7.111 -0.232) 11.221 11.311 ( 1.548 -8.151 2.823) 8.763 11.948 ( -6.806 1.928 0.441) 7.087 12.166 ( 2.752 -2.447 10.869) 11.476 12.603 ( -0.884 0.705 8.892) 8.963 13.613 ( 4.727 5.225 -6.606) 9.659 14.664 ( -11.450 -3.158 -10.578) 15.905 15.764 ( 4.086 4.605 -2.279) 6.565 15.981 ( 6.577 0.355 -5.510) 8.587 16.451 ( 12.530 -4.233 -10.093) 16.636 16.823 ( -11.194 5.082 6.347) 13.836 17.655 ( -3.681 -4.012 -0.474) 5.465 18.288 ( 5.043 -0.974 6.031) 7.922 18.489 ( 2.765 3.988 -1.741) 5.156 ======================= Grid point 317 (146/337) ======================= q-point: (-0.60 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -1.283 2.900 -4.663) 5.639 2.368 ( -6.014 -4.745 -9.304) 12.052 2.660 ( -3.867 6.939 3.225) 8.574 2.886 ( 4.515 4.640 4.858) 8.094 3.030 ( 4.165 2.748 2.047) 5.393 3.345 ( 8.853 -3.636 5.366) 10.972 3.655 ( -5.106 -5.444 1.316) 7.579 4.021 ( 1.486 -8.050 -1.039) 8.252 4.232 ( -3.077 6.391 -10.823) 12.940 4.540 ( 5.359 -4.459 2.992) 7.587 5.003 ( -4.850 5.207 6.113) 9.381 5.344 ( -14.297 -1.141 2.679) 14.591 5.638 ( -1.900 6.284 -2.360) 6.976 6.152 ( 3.210 8.185 -0.872) 8.835 7.328 ( -9.398 -6.936 11.190) 16.175 7.771 ( -10.185 3.238 10.796) 15.191 8.174 ( -0.998 -0.885 -7.215) 7.337 8.696 ( -12.009 6.006 19.350) 23.553 8.782 ( -4.909 -2.715 -5.896) 8.139 9.069 ( -3.512 2.046 -4.212) 5.853 10.170 ( -10.322 15.608 -1.853) 18.804 10.317 ( -3.420 -12.998 9.988) 16.745 11.092 ( 8.322 -8.775 -1.225) 12.156 11.363 ( -6.533 -3.103 -0.192) 7.235 11.889 ( -0.950 -6.772 0.689) 6.873 12.225 ( -8.552 2.368 8.346) 12.181 12.833 ( 10.368 1.640 16.056) 19.183 13.589 ( 6.513 0.612 -5.570) 8.592 14.406 ( -11.289 -1.838 -11.335) 16.103 15.731 ( 0.995 3.063 -1.992) 3.787 16.064 ( 10.134 -0.062 -1.649) 10.268 16.462 ( 0.388 0.762 -6.266) 6.324 16.767 ( 1.965 1.109 -0.350) 2.284 17.629 ( -4.880 -4.714 -0.305) 6.792 18.396 ( 3.643 2.455 0.734) 4.453 18.488 ( 2.444 2.012 2.701) 4.161 ======================= Grid point 318 (147/337) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -9.206 4.832 -0.217) 10.399 2.118 ( -16.897 1.587 -7.262) 18.459 2.640 ( 3.780 3.431 1.267) 5.260 3.004 ( 4.844 -2.231 7.185) 8.948 3.130 ( 4.372 1.932 1.886) 5.138 3.487 ( -2.493 -6.853 0.600) 7.318 3.650 ( -1.285 -0.339 6.098) 6.242 3.908 ( -15.051 8.531 -1.833) 17.398 4.123 ( 6.622 -5.664 -10.103) 13.342 4.674 ( 4.660 -1.731 3.598) 6.136 5.026 ( 1.735 -0.257 2.887) 3.377 5.163 ( -14.651 -0.475 2.525) 14.875 5.552 ( 2.760 7.524 -3.091) 8.590 6.124 ( 5.077 7.110 -2.025) 8.968 7.388 ( -11.681 -5.921 13.486) 18.798 7.738 ( -7.523 1.006 8.492) 11.390 8.085 ( -2.305 -3.113 -6.980) 7.983 8.615 ( -10.857 -2.001 1.840) 11.192 8.729 ( -6.594 6.477 9.844) 13.504 9.005 ( -0.395 -3.823 -3.399) 5.131 9.893 ( -7.632 18.216 1.082) 19.780 10.446 ( -5.126 -10.065 5.668) 12.637 11.196 ( -10.526 3.338 -1.439) 11.136 11.263 ( 3.604 -12.596 -4.242) 13.772 12.020 ( 1.536 -8.908 2.292) 9.326 12.186 ( -4.913 -0.037 8.452) 9.776 13.071 ( 6.295 9.429 8.910) 14.420 13.683 ( 9.181 -7.588 -1.378) 11.991 14.151 ( -10.269 -0.053 -6.710) 12.267 15.710 ( 1.242 2.005 -0.323) 2.381 16.190 ( 10.435 0.268 -2.720) 10.787 16.351 ( -5.077 2.857 -1.962) 6.147 16.811 ( 8.756 -0.000 -5.333) 10.253 17.605 ( -5.690 -6.900 0.090) 8.944 18.368 ( 2.854 6.536 -3.753) 8.059 18.574 ( 0.629 -1.219 6.599) 6.740 ======================= Grid point 319 (148/337) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -15.245 5.629 6.931) 17.667 1.771 ( -19.656 5.531 -2.933) 20.629 2.684 ( 2.879 -1.244 -2.002) 3.721 3.061 ( -13.008 7.036 4.784) 15.544 3.182 ( 1.854 -1.977 9.612) 9.986 3.490 ( -0.743 -5.949 -2.198) 6.386 3.599 ( -9.641 9.597 -4.011) 14.182 3.774 ( -0.092 -3.404 10.229) 10.781 4.149 ( 4.794 -5.587 -8.078) 10.930 4.775 ( 5.010 1.261 -0.259) 5.172 4.934 ( -8.635 -4.463 -5.243) 11.044 5.210 ( 2.915 -1.774 10.882) 11.405 5.514 ( 6.699 8.342 -2.266) 10.936 6.113 ( 4.994 5.531 -2.673) 7.917 7.398 ( -17.122 -3.911 15.364) 23.335 7.751 ( -2.274 -1.507 4.218) 5.024 8.025 ( -1.518 -4.717 -3.508) 6.071 8.529 ( -7.221 -1.491 2.868) 7.911 8.707 ( -6.035 4.045 10.661) 12.901 9.039 ( 2.580 -7.640 -2.812) 8.540 9.662 ( -6.108 18.391 3.086) 19.623 10.495 ( -5.397 -6.350 3.120) 8.899 10.991 ( -14.624 -2.546 -0.207) 14.846 11.338 ( 2.786 -5.421 -7.290) 9.502 12.057 ( -4.016 -1.992 3.336) 5.588 12.338 ( 4.470 -7.832 6.188) 10.937 12.960 ( -1.431 13.513 -15.662) 20.735 13.895 ( -4.054 -3.487 19.985) 20.688 14.074 ( 6.286 -5.565 -2.825) 8.858 15.716 ( 1.245 1.677 0.695) 2.201 16.142 ( -1.220 4.506 -9.794) 10.849 16.373 ( 5.846 -0.403 3.533) 6.843 16.872 ( 10.558 0.980 -6.383) 12.377 17.605 ( -5.886 -10.137 0.849) 11.752 18.296 ( 2.691 7.263 -4.511) 8.964 18.657 ( -1.648 -2.205 6.274) 6.851 ======================= Grid point 320 (149/337) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -17.370 8.666 6.826) 20.577 1.460 ( -19.234 6.277 9.004) 22.145 2.606 ( -20.004 -1.801 4.913) 20.677 2.941 ( -0.712 6.798 7.410) 10.081 3.210 ( -13.002 5.309 7.213) 15.789 3.420 ( -1.292 -2.953 -2.210) 3.908 3.534 ( 10.194 2.033 -8.054) 13.150 3.934 ( -4.110 -8.104 11.200) 14.422 4.183 ( 5.203 -3.891 -2.789) 7.070 4.684 ( -5.260 1.416 -8.331) 9.954 4.929 ( 4.669 -4.372 -3.086) 7.102 5.426 ( 6.142 -1.570 13.068) 14.524 5.542 ( 8.567 6.458 0.418) 10.736 6.091 ( 3.466 4.244 -4.012) 6.791 7.360 ( -17.612 -3.170 15.159) 23.453 7.755 ( -2.564 -0.533 0.799) 2.738 8.086 ( 4.352 -7.725 0.243) 8.870 8.520 ( -5.627 -2.685 8.474) 10.521 8.750 ( -3.062 -0.985 10.514) 10.995 9.131 ( 4.280 -6.687 -1.219) 8.033 9.475 ( -4.403 15.131 3.444) 16.130 10.470 ( -7.980 -3.313 0.151) 8.642 10.879 ( -11.367 -6.802 5.642) 14.398 11.250 ( -1.055 2.547 -13.420) 13.701 11.976 ( -7.989 9.244 -6.523) 13.850 12.449 ( -1.925 0.151 -2.766) 3.373 12.663 ( -0.625 0.480 -3.024) 3.125 14.099 ( -2.509 -5.672 17.055) 18.148 14.281 ( 11.157 -4.394 6.933) 13.851 15.718 ( -0.401 2.480 1.165) 2.769 15.960 ( -0.959 4.912 -11.067) 12.146 16.484 ( 5.672 -0.539 -0.166) 5.700 16.948 ( 11.628 1.580 -4.179) 12.456 17.645 ( -5.390 -13.038 1.542) 14.192 18.212 ( 2.404 7.375 -5.061) 9.262 18.701 ( -4.244 -2.906 4.131) 6.597 ======================= Grid point 321 (150/337) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -13.053 7.388 13.570) 20.226 1.300 ( -14.826 10.237 15.292) 23.632 2.404 ( -26.631 -1.367 17.156) 31.708 2.988 ( -5.130 -0.187 -3.445) 6.182 3.062 ( -0.549 5.415 9.533) 10.977 3.464 ( 1.963 -1.330 3.276) 4.045 3.556 ( 11.088 3.283 -9.482) 14.954 3.944 ( -9.243 -9.440 -6.726) 14.826 4.381 ( 4.490 -3.784 12.449) 13.765 4.503 ( -2.668 2.166 -5.560) 6.536 4.983 ( 6.535 -1.808 -6.035) 9.077 5.623 ( 9.347 4.001 1.243) 10.243 5.693 ( 3.979 -3.355 14.853) 15.738 6.041 ( 1.766 3.517 -4.638) 6.083 7.327 ( -15.127 -2.193 14.260) 20.904 7.752 ( 0.880 -1.093 1.056) 1.756 8.203 ( 3.669 -5.023 -2.354) 6.651 8.640 ( -4.945 -10.328 14.668) 18.608 8.861 ( -2.311 -4.585 8.855) 10.236 9.210 ( 0.921 3.680 4.049) 5.548 9.381 ( 0.682 3.350 0.801) 3.512 10.343 ( -12.607 -3.360 -1.637) 13.149 10.855 ( -3.457 18.867 -4.806) 19.774 10.980 ( -8.211 -5.653 -2.345) 10.240 11.609 ( -12.411 14.624 -0.361) 19.184 12.427 ( -0.653 -2.626 1.170) 2.948 12.746 ( 0.676 -4.368 4.708) 6.457 14.226 ( 3.081 -10.823 -10.173) 15.169 14.641 ( 13.594 -0.239 22.735) 26.491 15.666 ( -5.789 3.565 1.056) 6.880 15.809 ( 4.294 3.565 -11.578) 12.853 16.516 ( 3.395 0.148 -5.364) 6.350 17.077 ( 12.228 0.340 -0.326) 12.237 17.710 ( -5.149 -13.525 0.984) 14.505 18.107 ( -0.111 8.061 -4.755) 9.360 18.673 ( -7.836 -2.195 1.458) 8.267 ======================= Grid point 322 (151/337) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -7.102 6.748 17.782) 20.302 1.292 ( -0.806 3.962 21.128) 21.512 2.324 ( -17.228 -1.113 20.119) 26.510 2.838 ( -6.486 0.668 -2.744) 7.074 3.217 ( 5.952 -1.213 8.805) 10.697 3.545 ( 3.352 1.904 -0.977) 3.976 3.585 ( 11.425 0.946 -3.231) 11.911 3.758 ( -10.627 -3.048 -10.383) 15.166 4.260 ( -9.527 -1.344 -9.372) 13.431 4.680 ( 3.686 -0.393 6.886) 7.820 5.056 ( 9.806 -1.907 0.692) 10.013 5.690 ( 3.346 1.555 -2.279) 4.337 5.916 ( 0.319 -3.527 12.050) 12.560 5.997 ( 0.796 3.145 0.663) 3.311 7.309 ( -12.132 -0.907 12.956) 17.773 7.834 ( 5.666 -1.762 2.975) 6.638 8.220 ( -0.862 -1.520 -1.625) 2.386 8.722 ( -23.521 -14.001 3.060) 27.543 8.976 ( 1.029 1.209 16.335) 16.412 9.203 ( -2.860 7.577 10.261) 13.072 9.424 ( 3.883 -1.933 -1.832) 4.709 10.267 ( 2.224 -1.008 5.847) 6.336 10.532 ( 0.840 18.791 -4.501) 19.341 11.074 ( -5.155 -7.853 12.457) 15.602 11.415 ( -7.824 7.352 3.807) 11.392 12.448 ( -1.787 -1.250 1.569) 2.686 12.813 ( -3.031 -2.221 4.394) 5.781 14.159 ( 1.557 -5.565 -18.568) 19.446 15.101 ( 20.288 -1.494 11.649) 23.442 15.555 ( -6.751 -1.002 -0.027) 6.825 15.739 ( 7.148 4.685 -9.398) 12.703 16.461 ( 1.325 0.645 -8.907) 9.028 17.256 ( 11.624 -1.923 1.379) 11.862 17.718 ( -8.583 -7.358 -3.350) 11.791 17.972 ( -5.195 6.455 2.126) 8.555 18.585 ( -7.769 -0.803 1.242) 7.908 ======================= Grid point 324 (152/337) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 6.678 -0.000 8.381) 10.716 2.252 ( 11.525 -0.000 14.266) 18.339 2.691 ( 2.854 -0.000 -15.826) 16.081 2.895 ( 8.299 -0.000 4.078) 9.247 3.191 ( 2.920 -0.000 8.084) 8.595 3.357 ( -6.449 0.000 -5.322) 8.362 3.527 ( -4.746 0.000 -9.517) 10.635 3.607 ( -0.561 0.000 1.798) 1.884 4.169 ( 9.508 -0.000 4.502) 10.520 4.541 ( -0.726 0.000 -3.270) 3.350 5.379 ( -8.047 0.000 -1.605) 8.206 5.386 ( -6.568 0.000 6.481) 9.227 5.931 ( -7.557 0.000 2.178) 7.864 6.197 ( -2.622 0.000 10.545) 10.866 7.256 ( -13.743 0.000 12.621) 18.659 7.999 ( -8.160 0.000 -0.282) 8.165 8.260 ( 3.994 -0.000 0.023) 3.994 8.532 ( -7.682 0.000 24.894) 26.052 9.110 ( -7.097 0.000 -7.527) 10.346 9.348 ( -2.529 0.000 -0.512) 2.580 9.637 ( 1.659 -0.000 16.048) 16.133 10.609 ( 5.270 -0.000 5.382) 7.533 10.988 ( -4.276 0.000 -9.059) 10.018 11.051 ( -0.895 0.000 5.736) 5.806 11.741 ( 14.263 -0.000 18.518) 23.374 12.187 ( -9.868 0.000 -3.761) 10.561 12.644 ( -10.224 0.000 5.339) 11.535 13.744 ( 4.630 -0.000 -10.750) 11.705 14.871 ( -12.164 0.000 -7.581) 14.333 15.792 ( 9.033 -0.000 -4.832) 10.244 16.066 ( -0.966 0.000 -10.635) 10.679 16.213 ( 21.303 -0.000 -7.416) 22.557 17.063 ( -18.601 0.000 6.620) 19.744 17.607 ( -0.085 0.000 1.208) 1.211 18.129 ( 4.031 -0.000 7.223) 8.272 18.527 ( 2.483 -0.000 -1.434) 2.868 ======================= Grid point 325 (153/337) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 6.224 0.302 0.802) 6.283 2.469 ( -2.785 -0.495 -15.765) 16.017 2.560 ( 10.767 0.054 10.282) 14.888 3.076 ( 5.867 -1.214 7.139) 9.320 3.143 ( -5.751 9.511 -1.246) 11.184 3.283 ( -1.294 7.187 -6.896) 10.044 3.442 ( 2.287 -8.101 0.421) 8.429 3.699 ( 2.465 -9.179 4.264) 10.417 4.320 ( 6.884 -0.484 1.986) 7.181 4.480 ( -0.984 0.749 -6.113) 6.237 5.232 ( -9.659 5.769 3.840) 11.888 5.377 ( -9.888 -4.062 6.516) 12.519 5.835 ( -6.418 2.264 0.160) 6.807 6.267 ( 0.378 2.409 5.383) 5.910 7.213 ( -12.092 -2.243 10.082) 15.903 7.897 ( -8.904 2.261 5.194) 10.553 8.244 ( -3.047 -0.830 -4.244) 5.290 8.694 ( -10.009 1.913 25.198) 27.180 8.902 ( -8.251 -1.071 -10.092) 13.079 9.279 ( -3.046 3.767 -2.418) 5.414 9.874 ( 2.158 -7.047 14.261) 16.053 10.660 ( -4.670 4.753 0.922) 6.727 10.879 ( 8.131 5.086 -4.419) 10.560 11.127 ( -2.654 -11.154 3.796) 12.077 11.988 ( -9.406 1.819 -3.935) 10.357 12.131 ( 8.015 -1.300 15.382) 17.394 12.609 ( -3.039 0.087 8.628) 9.147 13.681 ( 3.000 2.122 -8.089) 8.884 14.620 ( -12.074 -1.456 -8.415) 14.788 15.826 ( 3.695 2.038 -5.122) 6.636 15.983 ( 5.857 0.013 -6.360) 8.646 16.391 ( 16.621 -2.027 -9.496) 19.249 16.897 ( -14.194 2.519 6.344) 15.750 17.603 ( -3.420 -1.619 0.879) 3.884 18.274 ( 4.472 -0.478 7.112) 8.415 18.539 ( 3.158 1.462 -2.208) 4.122 ======================= Grid point 326 (154/337) ======================= q-point: (-0.70 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 3.889 3.494 -6.039) 7.987 2.281 ( -4.416 -4.571 -12.109) 13.676 2.764 ( 5.287 4.441 4.427) 8.202 2.993 ( -3.873 6.203 2.424) 7.704 3.094 ( -2.346 4.456 1.956) 5.402 3.298 ( 5.436 -1.573 3.649) 6.733 3.521 ( 0.119 -8.666 -0.813) 8.705 3.895 ( 5.834 -5.636 4.888) 9.471 4.329 ( -3.922 3.967 -8.713) 10.346 4.437 ( 2.634 -5.547 1.102) 6.239 5.111 ( -9.583 5.866 7.880) 13.724 5.320 ( -12.301 -1.649 4.575) 13.227 5.738 ( -1.269 4.541 -2.062) 5.146 6.276 ( 2.545 5.293 -1.005) 5.958 7.216 ( -8.694 -5.145 10.036) 14.240 7.832 ( -9.903 3.524 9.911) 14.447 8.124 ( -6.394 -3.888 -7.425) 10.542 8.697 ( -8.796 -3.346 -8.238) 12.508 8.780 ( -14.369 1.387 21.431) 25.840 9.148 ( -4.107 5.178 -4.257) 7.862 10.109 ( 0.311 -8.613 10.763) 13.789 10.491 ( -2.939 18.044 0.137) 18.282 10.962 ( 7.711 -4.640 -2.803) 9.426 11.240 ( -2.934 -11.562 1.706) 12.050 11.818 ( -6.055 -1.220 -3.425) 7.063 12.258 ( -7.779 1.289 9.007) 11.970 12.841 ( 12.482 -0.185 17.247) 21.291 13.608 ( 1.707 1.087 -7.522) 7.790 14.377 ( -11.144 -1.273 -8.610) 14.140 15.768 ( 1.130 1.285 -5.537) 5.795 16.062 ( 10.072 -0.058 -1.681) 10.211 16.466 ( 7.199 -0.174 -8.720) 11.309 16.798 ( -4.112 1.979 3.058) 5.493 17.564 ( -5.718 -2.481 0.350) 6.243 18.408 ( 3.055 -0.140 6.287) 6.992 18.536 ( 2.930 2.453 -2.195) 4.407 ======================= Grid point 327 (155/337) ======================= q-point: (-0.60 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -1.068 6.318 -5.755) 8.612 2.107 ( -8.321 -2.105 -10.267) 13.382 2.748 ( -0.009 7.615 2.080) 7.894 2.976 ( -1.315 -0.467 6.174) 6.329 3.152 ( 3.309 -0.037 3.185) 4.593 3.355 ( -3.879 -7.523 -0.850) 8.507 3.626 ( 3.616 -1.233 5.709) 6.869 4.020 ( 1.164 -0.785 2.929) 3.248 4.089 ( -7.529 5.779 -9.621) 13.514 4.560 ( 2.229 -9.572 2.236) 10.079 5.066 ( -4.938 3.492 8.581) 10.498 5.165 ( -15.209 0.540 2.123) 15.366 5.681 ( 5.072 6.621 -3.930) 9.219 6.240 ( 3.997 5.738 -3.614) 7.872 7.283 ( -7.171 -5.524 11.206) 14.405 7.768 ( -9.615 2.412 6.768) 12.003 8.008 ( -6.064 -5.187 -4.042) 8.945 8.545 ( -8.049 -4.990 -4.435) 10.457 8.772 ( -17.339 -1.121 16.385) 23.882 9.005 ( -3.371 3.076 -4.331) 6.291 10.237 ( -0.636 9.108 3.545) 9.794 10.319 ( -3.598 6.922 6.317) 10.038 11.051 ( -0.429 -9.235 -7.053) 11.628 11.244 ( -2.066 -1.509 0.506) 2.607 11.833 ( 2.485 -10.003 0.565) 10.322 12.206 ( -9.214 1.378 7.208) 11.779 13.199 ( 10.151 5.165 14.346) 18.317 13.571 ( 4.067 -4.990 -4.342) 7.765 14.149 ( -10.105 -0.161 -6.352) 11.937 15.731 ( 2.544 0.463 -4.137) 4.879 16.192 ( 10.200 0.045 -0.665) 10.221 16.401 ( -2.253 2.495 -4.931) 5.968 16.817 ( 6.858 0.669 -2.388) 7.293 17.505 ( -7.629 -4.335 0.183) 8.777 18.462 ( 1.905 4.042 -0.901) 4.558 18.559 ( 1.086 -0.435 4.010) 4.177 ======================= Grid point 328 (156/337) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -7.418 8.236 0.791) 11.113 1.860 ( -11.522 4.534 -6.301) 13.893 2.709 ( -1.651 3.761 0.449) 4.132 3.101 ( -0.010 -6.266 8.541) 10.593 3.138 ( -6.479 -0.219 0.483) 6.500 3.376 ( -1.058 -4.488 0.427) 4.631 3.703 ( -1.385 0.278 -2.087) 2.520 3.837 ( -7.814 11.506 7.624) 15.861 4.069 ( 3.734 -3.913 -4.588) 7.093 4.701 ( 1.990 -8.953 2.605) 9.535 4.909 ( -11.093 1.529 -6.727) 13.063 5.177 ( -2.947 -1.937 15.365) 15.765 5.664 ( 9.254 8.161 -4.885) 13.270 6.207 ( 3.960 4.795 -3.955) 7.369 7.335 ( -10.809 -2.954 11.656) 16.169 7.718 ( -3.061 -2.290 1.607) 4.147 7.950 ( -6.557 -3.551 1.601) 7.627 8.467 ( -8.601 -4.561 3.000) 10.188 8.724 ( -14.017 -3.757 10.501) 17.913 8.927 ( -1.016 -2.940 -3.245) 4.495 10.053 ( -2.629 24.885 3.436) 25.258 10.385 ( -3.039 -5.836 5.738) 8.731 10.901 ( -15.406 -6.155 -5.713) 17.546 11.318 ( 10.543 1.103 -3.221) 11.079 11.971 ( -0.670 -8.805 2.509) 9.180 12.211 ( -2.051 -4.849 7.354) 9.044 13.167 ( -1.279 9.620 -14.857) 17.746 13.819 ( 6.748 -4.716 20.346) 21.949 13.998 ( -4.780 -2.999 -2.852) 6.323 15.731 ( 3.835 0.151 -3.347) 5.093 16.226 ( 0.105 4.613 -7.748) 9.018 16.366 ( 5.149 -0.461 2.528) 5.754 16.893 ( 10.810 1.387 -4.458) 11.775 17.447 ( -8.902 -7.524 0.829) 11.686 18.410 ( 1.573 5.624 -3.817) 6.976 18.623 ( -1.723 -1.583 5.469) 5.949 ======================= Grid point 329 (157/337) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -13.461 7.833 6.299) 16.800 1.608 ( -9.400 11.070 3.820) 15.017 2.600 ( -12.824 1.525 0.878) 12.944 3.028 ( -3.609 0.119 -2.586) 4.442 3.260 ( -8.624 -0.694 15.581) 17.822 3.351 ( -4.473 -2.836 -0.730) 5.347 3.605 ( 8.642 4.960 -8.639) 13.188 3.832 ( -6.388 -0.495 6.725) 9.289 4.134 ( 4.698 -2.728 2.830) 6.126 4.685 ( -8.481 -0.718 -7.995) 11.677 4.829 ( 3.818 -6.798 0.624) 7.822 5.370 ( -0.013 -4.491 16.232) 16.842 5.676 ( 10.680 7.956 -4.470) 14.048 6.166 ( 2.658 3.912 -4.605) 6.601 7.315 ( -12.655 -1.413 11.267) 17.003 7.737 ( -1.373 -1.987 0.777) 2.538 7.956 ( -2.267 -6.463 4.394) 8.137 8.438 ( -13.213 -5.408 9.532) 17.166 8.726 ( -5.700 -3.219 8.835) 10.996 8.963 ( 2.471 -9.866 -2.115) 10.389 9.837 ( -3.224 23.981 3.989) 24.523 10.427 ( -5.293 -2.247 2.520) 6.278 10.716 ( -13.382 -8.600 0.701) 15.923 11.368 ( 9.877 7.846 -6.624) 14.247 12.024 ( -2.399 -2.698 1.889) 4.075 12.362 ( 0.819 -8.992 4.406) 10.047 12.789 ( -7.167 11.716 -17.914) 22.573 13.974 ( -4.882 -7.856 2.748) 9.649 14.214 ( 9.934 -3.164 19.537) 22.144 15.747 ( 4.062 0.748 -3.176) 5.210 16.062 ( -1.981 6.164 -8.709) 10.852 16.475 ( 6.259 -0.423 0.058) 6.274 16.981 ( 10.887 2.131 -3.446) 11.617 17.429 ( -7.801 -11.009 2.290) 13.686 18.329 ( 1.337 5.813 -4.990) 7.776 18.655 ( -4.459 -2.253 4.215) 6.536 ======================= Grid point 330 (158/337) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -9.714 11.609 11.203) 18.832 1.500 ( -9.692 11.574 14.222) 20.740 2.401 ( -18.598 1.402 7.739) 20.193 2.953 ( -5.787 -3.799 -4.850) 8.453 3.193 ( -4.467 8.016 7.196) 11.662 3.428 ( -0.093 -3.566 7.202) 8.037 3.630 ( 10.992 4.831 -6.097) 13.466 3.777 ( -6.910 -6.767 -4.986) 10.882 4.295 ( -1.947 -5.758 8.561) 10.500 4.532 ( -0.203 1.014 -3.287) 3.445 4.930 ( 5.466 -4.279 -3.037) 7.577 5.606 ( -0.228 -6.545 16.072) 17.355 5.711 ( 9.123 5.599 -2.958) 11.105 6.107 ( 1.703 3.525 -4.845) 6.229 7.291 ( -11.905 -1.253 12.155) 17.060 7.736 ( -0.369 -0.895 0.877) 1.306 8.079 ( 1.449 -8.645 3.178) 9.324 8.418 ( -18.241 -11.976 11.722) 24.770 8.822 ( -0.605 -0.956 11.808) 11.862 9.109 ( 5.794 -11.034 0.592) 12.477 9.642 ( -3.032 21.512 5.086) 22.312 10.319 ( -8.930 0.056 -1.457) 9.048 10.747 ( -5.913 -10.648 9.490) 15.440 11.284 ( 8.722 19.022 -10.764) 23.533 11.877 ( -10.029 13.354 -7.164) 18.172 12.374 ( -3.106 -2.804 -0.007) 4.185 12.645 ( -0.572 -6.020 3.677) 7.077 14.009 ( -0.720 -12.908 -7.540) 14.967 14.609 ( 10.042 -3.070 21.609) 24.025 15.734 ( -0.486 3.304 -2.507) 4.176 15.891 ( 2.729 5.629 -10.711) 12.405 16.524 ( 4.374 0.759 -4.306) 6.184 17.076 ( 6.687 -0.810 0.125) 6.737 17.486 ( -3.088 -11.008 3.281) 11.894 18.228 ( 0.276 5.814 -5.869) 8.266 18.632 ( -7.309 -2.262 2.318) 7.995 ======================= Grid point 331 (159/337) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -3.593 9.305 18.317) 20.856 1.460 ( -4.317 12.881 16.308) 21.225 2.304 ( -11.954 -0.410 14.008) 18.420 2.836 ( -6.267 -1.685 -3.287) 7.275 3.210 ( 3.223 1.165 2.717) 4.374 3.551 ( 1.469 -2.613 7.920) 8.469 3.626 ( -4.974 0.877 -1.375) 5.234 3.696 ( 8.021 0.639 -10.823) 13.487 4.209 ( -11.672 -4.463 -7.391) 14.518 4.671 ( 5.145 -0.537 8.389) 9.855 5.003 ( 7.198 -3.709 -2.126) 8.372 5.734 ( 3.095 2.934 -2.031) 4.724 5.825 ( -1.223 -6.851 12.127) 13.982 6.057 ( 1.208 3.234 -1.197) 3.653 7.288 ( -10.817 -1.034 12.740) 16.744 7.791 ( 4.021 -2.589 2.205) 5.266 8.164 ( -1.380 -4.973 0.859) 5.232 8.408 ( -22.788 -18.001 10.861) 31.005 8.981 ( 0.863 -0.617 14.004) 14.044 9.292 ( 5.866 -4.705 3.151) 8.153 9.497 ( -2.822 16.557 6.511) 18.013 10.254 ( 0.203 -0.251 3.705) 3.719 10.896 ( -4.489 -10.711 11.281) 16.191 11.015 ( 6.473 30.923 -11.977) 33.787 11.581 ( -9.866 10.300 2.449) 14.471 12.406 ( -1.206 -3.528 2.131) 4.294 12.737 ( -3.243 -6.307 5.015) 8.686 13.990 ( 0.491 -12.482 -15.489) 19.898 15.031 ( 14.845 -6.357 14.617) 21.782 15.586 ( -7.905 4.833 -4.322) 10.223 15.833 ( 10.345 4.786 -9.354) 14.746 16.486 ( 2.418 2.188 -7.945) 8.589 17.178 ( 0.108 -7.073 3.200) 7.764 17.590 ( 2.025 -5.367 2.168) 6.132 18.093 ( -3.853 6.256 -4.002) 8.366 18.562 ( -7.532 -1.593 1.516) 7.847 ======================= Grid point 332 (160/337) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -0.238 9.349 16.647) 19.094 1.616 ( 6.715 4.268 19.093) 20.685 2.396 ( 0.402 -1.869 13.328) 13.464 2.767 ( -0.438 0.512 -1.199) 1.376 3.294 ( 2.649 -6.811 -0.807) 7.353 3.465 ( -10.373 -3.279 -6.219) 12.531 3.661 ( 2.794 8.659 4.505) 10.153 3.755 ( 13.187 1.234 -0.970) 13.280 3.984 ( -12.190 -3.608 -8.258) 15.160 4.703 ( -1.902 2.226 -2.531) 3.870 5.184 ( 6.678 -6.943 4.679) 10.710 5.673 ( -1.658 3.763 -4.639) 6.199 5.955 ( -2.952 -4.693 6.648) 8.657 6.063 ( -3.423 1.064 7.722) 8.513 7.296 ( -11.123 -0.323 13.575) 17.553 7.937 ( 7.309 -4.687 3.289) 9.285 8.174 ( -3.550 -2.459 1.760) 4.663 8.355 ( -21.117 -11.326 12.065) 26.829 9.148 ( -0.418 -2.016 11.160) 11.348 9.397 ( 1.741 8.166 10.042) 13.060 9.426 ( -1.815 3.738 1.652) 4.471 10.400 ( 6.508 -0.921 6.495) 9.240 10.790 ( 13.002 21.566 -3.242) 25.390 11.055 ( -5.514 -10.764 10.786) 16.206 11.441 ( -6.110 9.082 5.296) 12.159 12.412 ( -4.285 -1.562 1.075) 4.686 12.766 ( -6.929 -3.906 4.472) 9.125 13.904 ( 2.012 -8.499 -17.961) 19.972 15.333 ( -1.419 5.789 -3.491) 6.908 15.469 ( 7.904 -12.611 1.515) 14.960 15.852 ( 14.383 6.725 -7.348) 17.495 16.379 ( 0.811 3.287 -10.124) 10.675 17.260 ( -8.708 -12.579 4.779) 16.028 17.637 ( 3.871 6.585 -1.836) 7.856 17.973 ( -5.183 2.586 4.251) 7.185 18.512 ( -3.402 -1.489 0.844) 3.808 ======================= Grid point 335 (161/337) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 5.644 -0.000 -5.300) 7.742 2.233 ( -4.216 0.000 -14.077) 14.694 2.805 ( 10.012 -0.000 5.502) 11.424 3.052 ( -7.170 0.000 0.857) 7.221 3.169 ( -6.901 0.000 3.999) 7.976 3.267 ( -1.838 0.000 -4.036) 4.435 3.428 ( 9.604 -0.000 2.011) 9.812 3.838 ( 7.528 -0.000 8.860) 11.626 4.365 ( -4.224 0.000 -8.573) 9.557 4.383 ( 1.107 -0.000 0.378) 1.170 5.173 ( -12.204 0.000 8.193) 14.699 5.298 ( -10.352 0.000 5.451) 11.699 5.781 ( -0.927 0.000 -2.000) 2.204 6.325 ( 2.131 -0.000 -0.660) 2.231 7.167 ( -8.568 0.000 9.642) 12.899 7.873 ( -8.735 0.000 9.821) 13.144 8.078 ( -8.990 0.000 -7.674) 11.820 8.663 ( -8.066 0.000 -10.385) 13.150 8.791 ( -17.695 0.000 23.231) 29.203 9.201 ( -5.045 0.000 -4.766) 6.940 10.028 ( 2.591 -0.000 11.777) 12.058 10.697 ( 5.545 -0.000 -0.146) 5.547 10.977 ( 8.574 -0.000 -8.170) 11.843 11.031 ( -9.232 0.000 7.770) 12.066 11.814 ( -7.340 0.000 -4.811) 8.777 12.270 ( -7.532 0.000 9.167) 11.865 12.838 ( 13.017 -0.000 17.635) 21.919 13.618 ( 0.128 -0.000 -8.278) 8.279 14.365 ( -11.057 0.000 -7.423) 13.318 15.779 ( 1.034 -0.000 -6.839) 6.917 16.062 ( 10.024 -0.000 -1.648) 10.159 16.463 ( 9.693 -0.000 -9.302) 13.434 16.819 ( -6.242 0.000 3.793) 7.304 17.542 ( -5.904 0.000 0.574) 5.932 18.406 ( 2.876 -0.000 7.395) 7.935 18.559 ( 3.029 -0.000 -2.930) 4.214 ======================= Grid point 336 (162/337) ======================= q-point: (-0.70 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 3.414 4.221 -8.863) 10.394 2.063 ( -2.318 -2.640 -10.451) 11.026 2.876 ( 0.764 6.070 -1.875) 6.399 2.987 ( -6.017 0.917 5.047) 7.907 3.098 ( -7.363 -5.267 1.408) 9.162 3.269 ( 1.172 -1.642 3.458) 4.004 3.620 ( 8.605 0.253 6.422) 10.740 3.990 ( 3.866 -1.196 -2.127) 4.572 4.201 ( -6.495 5.167 -0.452) 8.312 4.396 ( -1.972 -7.245 0.570) 7.530 5.114 ( -12.100 1.457 13.182) 17.953 5.176 ( -12.368 0.504 -0.198) 12.380 5.769 ( 6.043 2.791 -4.442) 8.003 6.314 ( 2.741 2.245 -4.500) 5.727 7.209 ( -4.375 -2.360 10.831) 11.917 7.824 ( -9.709 3.792 0.525) 10.436 7.914 ( -8.326 -5.096 2.782) 10.151 8.472 ( -5.622 -2.429 -7.623) 9.779 8.744 ( -24.269 -1.132 19.080) 30.892 9.055 ( -5.826 1.763 -5.062) 7.917 10.184 ( 0.870 -2.605 8.780) 9.200 10.695 ( 3.379 21.591 1.673) 21.918 10.939 ( 1.534 -3.228 -8.132) 8.883 11.095 ( -3.986 -14.538 4.736) 15.801 11.725 ( 0.590 -2.249 -3.053) 3.837 12.223 ( -10.258 0.477 6.686) 12.253 13.258 ( 14.493 1.642 20.333) 25.023 13.510 ( -1.151 -1.747 -8.811) 9.056 14.147 ( -9.950 -0.062 -6.088) 11.665 15.733 ( 3.123 0.003 -5.977) 6.743 16.192 ( 9.900 -0.014 0.226) 9.903 16.431 ( 0.285 0.881 -6.922) 6.984 16.829 ( 5.044 0.466 -0.519) 5.092 17.453 ( -8.447 -1.470 -0.049) 8.574 18.508 ( 0.592 1.148 5.741) 5.885 18.558 ( 2.017 0.139 -2.138) 2.943 ======================= Grid point 337 (163/337) ======================= q-point: (-0.60 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -3.199 5.286 -4.672) 7.747 1.939 ( 0.204 4.714 -8.227) 9.484 2.789 ( -4.481 4.376 0.530) 6.286 3.000 ( -5.840 -4.064 6.879) 9.896 3.039 ( -8.097 -8.641 -1.149) 11.897 3.362 ( 3.096 1.306 4.225) 5.398 3.735 ( 2.238 3.645 -0.709) 4.336 3.950 ( 1.255 -3.824 -3.510) 5.340 4.089 ( -6.459 10.409 5.561) 13.453 4.511 ( 0.869 -11.685 4.198) 12.447 4.948 ( -12.177 2.286 -6.447) 13.966 5.143 ( -9.780 -1.725 17.981) 20.541 5.786 ( 10.340 5.133 -6.526) 13.261 6.274 ( 2.456 2.619 -4.832) 6.020 7.300 ( -4.092 -0.992 10.561) 11.369 7.672 ( -4.573 -2.613 -4.845) 7.157 7.905 ( -9.996 -1.580 9.308) 13.749 8.393 ( -3.613 -3.405 -0.219) 4.969 8.617 ( -23.715 -5.865 13.130) 27.734 8.922 ( -4.509 0.684 -3.406) 5.692 10.297 ( -0.861 -3.287 6.866) 7.661 10.499 ( -2.564 22.816 0.006) 22.959 10.822 ( -9.813 -1.087 -4.443) 10.827 11.285 ( 9.849 -7.467 1.336) 12.432 11.793 ( 3.652 -8.335 -0.354) 9.107 12.167 ( -8.171 -1.058 6.637) 10.580 13.297 ( -2.328 5.020 -12.740) 13.890 13.746 ( 12.829 -3.110 20.272) 24.191 13.962 ( -9.919 -1.281 -2.956) 10.429 15.728 ( 5.173 -0.346 -5.534) 7.583 16.296 ( 2.444 3.135 -5.339) 6.657 16.356 ( 3.781 -0.684 0.226) 3.849 16.917 ( 11.000 1.134 -2.846) 11.419 17.344 ( -10.655 -4.032 0.023) 11.393 18.493 ( 0.744 3.770 -3.153) 4.970 18.598 ( -1.921 -1.422 5.187) 5.711 ======================= Grid point 338 (164/337) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -6.860 7.850 2.129) 10.640 1.806 ( -1.404 10.893 -0.835) 11.015 2.655 ( -11.261 4.245 0.882) 12.067 2.936 ( -8.593 -8.489 -3.513) 12.580 3.140 ( -3.382 -9.793 10.118) 14.482 3.378 ( -2.007 2.932 0.171) 3.557 3.681 ( 7.178 4.187 -6.859) 10.776 3.944 ( -8.230 10.777 5.768) 14.736 4.066 ( 2.473 -4.949 5.666) 7.919 4.656 ( -1.705 -5.024 -1.886) 5.631 4.717 ( -4.873 -2.919 -2.069) 6.045 5.277 ( -6.607 -5.668 18.649) 20.581 5.804 ( 11.112 6.082 -7.526) 14.735 6.222 ( 1.207 2.371 -4.834) 5.518 7.321 ( -6.953 2.240 8.378) 11.115 7.666 ( 1.856 -6.113 -1.934) 6.675 7.875 ( -11.817 -2.630 10.053) 15.736 8.360 ( -16.812 -2.955 10.679) 20.135 8.598 ( -2.762 -9.888 6.788) 12.308 8.856 ( -2.194 -2.624 -1.224) 3.633 10.252 ( -4.000 19.598 -1.756) 20.079 10.378 ( -2.356 -3.074 5.649) 6.849 10.642 ( -11.034 2.639 1.563) 11.452 11.474 ( 14.481 2.736 -2.453) 14.939 11.910 ( -0.964 -9.198 2.785) 9.658 12.204 ( -2.602 -7.328 6.476) 10.120 12.995 ( -5.780 10.354 -17.926) 21.493 13.841 ( -6.935 -6.745 -3.983) 10.462 14.168 ( 8.749 -1.953 23.295) 24.960 15.748 ( 6.460 -0.387 -5.761) 8.664 16.163 ( -2.307 4.884 -7.231) 9.025 16.469 ( 7.238 -0.289 0.410) 7.255 17.022 ( 9.631 2.431 -2.792) 10.318 17.263 ( -7.891 -7.730 1.408) 11.136 18.417 ( 0.179 4.167 -4.919) 6.449 18.622 ( -4.736 -1.534 4.579) 6.764 ======================= Grid point 339 (165/337) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -6.223 10.957 9.489) 15.774 1.706 ( -4.504 11.809 8.468) 15.214 2.457 ( -12.884 4.673 2.449) 13.922 2.851 ( -8.138 -7.502 -3.895) 11.734 3.293 ( -3.777 -9.552 8.557) 13.369 3.303 ( -0.830 2.392 -2.593) 3.625 3.711 ( 10.474 4.018 -6.078) 12.759 3.800 ( -6.283 8.861 4.069) 11.600 4.184 ( -6.098 -6.390 6.127) 10.750 4.546 ( 2.010 0.877 -2.902) 3.638 4.830 ( 3.250 -7.021 1.289) 7.844 5.466 ( -5.346 -8.829 17.094) 19.969 5.810 ( 9.054 5.242 -6.864) 12.512 6.158 ( 0.543 2.232 -4.570) 5.115 7.297 ( -7.772 2.096 9.169) 12.201 7.708 ( -0.371 -2.601 0.092) 2.629 7.910 ( -7.268 -9.991 9.365) 15.503 8.260 ( -19.498 -5.681 10.279) 22.762 8.802 ( 2.703 -1.954 13.304) 13.716 8.904 ( 4.344 -10.679 0.382) 11.535 10.022 ( -2.694 17.836 -0.939) 18.063 10.354 ( -5.966 4.920 1.870) 7.956 10.600 ( -5.261 -4.401 9.912) 12.054 11.555 ( 11.905 12.042 -3.378) 17.267 11.978 ( -1.335 -2.948 -1.483) 3.560 12.305 ( -3.727 -6.924 2.587) 8.278 12.634 ( -5.735 7.486 -8.543) 12.724 13.786 ( -4.726 -12.098 -7.268) 14.883 14.549 ( 6.953 -3.304 21.118) 22.478 15.768 ( 5.451 0.638 -6.005) 8.135 15.999 ( -0.559 6.114 -8.690) 10.640 16.542 ( 5.795 1.213 -2.952) 6.616 17.038 ( -5.040 -3.401 1.554) 6.276 17.344 ( 7.513 -4.938 1.615) 9.134 18.316 ( -0.494 4.059 -6.278) 7.492 18.598 ( -7.042 -1.508 3.101) 7.841 ======================= Grid point 340 (166/337) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -2.715 11.636 14.544) 18.823 1.672 ( -5.033 10.580 14.425) 18.583 2.328 ( -6.613 3.134 5.955) 9.435 2.773 ( -4.618 -5.202 -3.590) 7.827 3.244 ( -0.068 1.790 -2.076) 2.742 3.410 ( -3.218 -11.078 0.941) 11.574 3.669 ( -0.694 4.270 0.667) 4.377 3.797 ( 6.661 8.850 3.356) 11.574 4.111 ( -11.030 -6.160 -5.053) 13.607 4.663 ( 6.643 -0.435 7.330) 9.902 4.924 ( 4.221 -5.525 -2.717) 7.464 5.660 ( -5.608 -10.620 14.335) 18.701 5.799 ( 4.954 3.493 -5.369) 8.097 6.105 ( 0.715 2.151 -2.511) 3.383 7.287 ( -8.584 1.130 11.435) 14.343 7.742 ( 0.774 -3.353 1.948) 3.955 8.014 ( -6.311 -12.692 5.743) 15.294 8.179 ( -17.607 -6.341 11.268) 21.845 8.947 ( 0.122 -3.690 8.704) 9.454 9.170 ( 8.918 -6.774 9.442) 14.648 9.846 ( -0.801 19.183 2.844) 19.410 10.281 ( -0.627 4.803 4.597) 6.678 10.723 ( -4.441 -8.314 11.520) 14.885 11.508 ( 10.821 22.558 -7.716) 26.182 11.770 ( -10.859 11.065 -5.782) 16.546 12.329 ( -1.102 -4.943 2.921) 5.847 12.605 ( -3.705 -7.560 4.947) 9.765 13.747 ( -1.795 -14.458 -12.665) 19.304 14.904 ( 7.500 -7.163 16.252) 19.279 15.691 ( -3.740 5.799 -6.315) 9.354 15.900 ( 8.981 3.117 -9.898) 13.724 16.536 ( 4.316 3.304 -6.536) 8.501 17.027 ( -10.093 -8.972 5.607) 14.622 17.535 ( 12.320 -1.444 1.824) 12.538 18.186 ( -2.781 4.233 -6.350) 8.122 18.535 ( -7.471 -1.301 1.909) 7.820 ======================= Grid point 341 (167/337) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.341 10.944 15.843) 19.258 1.719 ( 2.567 7.052 14.874) 16.660 2.365 ( 1.576 -1.404 7.070) 7.379 2.750 ( 1.316 -2.675 -2.286) 3.757 3.222 ( -0.854 -1.589 -0.344) 1.836 3.381 ( -5.683 -6.212 -6.959) 10.923 3.731 ( 3.214 0.896 8.430) 9.066 3.835 ( 0.445 4.201 2.896) 5.122 3.935 ( -3.417 1.088 -8.862) 9.560 4.749 ( -0.366 2.641 -0.612) 2.735 5.043 ( 5.597 -8.650 1.435) 10.403 5.738 ( -2.452 2.968 -1.173) 4.025 5.826 ( -2.940 -9.444 6.825) 12.017 6.083 ( -2.080 1.079 2.361) 3.326 7.299 ( -9.509 0.834 13.564) 16.586 7.841 ( 3.190 -6.205 3.070) 7.622 8.076 ( -5.619 -10.289 1.831) 11.865 8.166 ( -14.176 -6.492 15.661) 22.099 9.080 ( 0.026 -5.729 6.295) 8.511 9.383 ( 3.086 -1.338 5.017) 6.040 9.729 ( -0.442 20.967 10.033) 23.248 10.394 ( 8.292 0.716 8.937) 12.212 10.857 ( -6.287 -9.768 9.659) 15.107 11.254 ( 6.485 27.089 -10.526) 29.777 11.589 ( -5.421 7.713 5.295) 10.813 12.372 ( -3.004 -2.882 1.505) 4.427 12.666 ( -6.635 -7.296 5.476) 11.280 13.707 ( 1.572 -13.210 -15.317) 20.288 15.239 ( 7.387 -11.964 7.880) 16.118 15.474 ( -5.306 8.476 -6.844) 12.118 15.924 ( 12.418 1.709 -9.156) 15.523 16.462 ( 3.808 5.675 -8.924) 11.240 17.042 ( -12.578 -11.549 7.622) 18.699 17.717 ( 12.579 2.767 -0.541) 12.892 18.033 ( -6.492 3.844 -1.134) 7.630 18.481 ( -4.337 -1.903 0.831) 4.809 ======================= Grid point 342 (168/337) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 2.334 8.423 11.831) 14.709 1.960 ( 11.065 2.751 15.022) 18.859 2.517 ( 6.927 -5.799 1.658) 9.185 2.802 ( 6.473 -1.785 -1.743) 6.937 3.211 ( -6.429 -0.976 0.123) 6.504 3.292 ( -1.920 -4.995 -1.891) 5.676 3.659 ( -9.879 -2.115 -9.409) 13.805 3.859 ( 1.071 9.335 6.879) 11.645 3.965 ( 12.857 0.871 1.176) 12.940 4.651 ( -3.381 3.452 -4.374) 6.518 5.192 ( 0.098 -9.341 1.902) 9.533 5.633 ( -4.944 5.155 -1.316) 7.263 5.911 ( -4.683 -6.532 3.480) 8.758 6.091 ( -5.149 -1.796 8.503) 10.101 7.308 ( -11.521 1.702 14.673) 18.733 7.963 ( -2.933 -8.154 2.480) 9.013 8.121 ( 3.440 -5.350 0.068) 6.361 8.274 ( -9.076 -6.816 20.641) 23.556 9.162 ( -2.243 -4.773 1.150) 5.398 9.389 ( -3.408 1.218 -1.197) 3.812 9.711 ( 0.834 17.772 15.967) 23.905 10.589 ( 6.044 4.953 7.789) 11.033 10.903 ( -7.968 -7.157 1.661) 10.838 11.134 ( 9.558 9.862 -0.275) 13.736 11.564 ( 1.599 8.640 9.990) 13.304 12.320 ( -7.372 -1.210 -1.022) 7.540 12.671 ( -8.917 -4.485 5.109) 11.213 13.686 ( 4.427 -9.760 -13.394) 17.154 15.185 ( -10.563 3.689 -8.125) 13.828 15.548 ( 10.988 -8.105 1.008) 13.691 15.989 ( 11.784 -0.795 -8.421) 14.505 16.353 ( 6.227 8.492 -10.051) 14.557 17.044 ( -15.438 -11.008 8.173) 20.648 17.743 ( 3.156 8.362 -4.488) 10.001 18.010 ( 0.847 -0.048 7.328) 7.377 18.473 ( -0.343 -2.763 -0.349) 2.806 ======================= Grid point 346 (169/337) ======================= q-point: ( 0.30 -0.70 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -1.698 0.000 -6.293) 6.518 1.993 ( 6.260 -0.000 -9.235) 11.157 2.847 ( -3.299 0.000 -3.905) 5.112 2.922 ( -12.348 0.000 1.886) 12.491 2.973 ( -7.828 0.000 7.594) 10.906 3.378 ( 3.707 -0.000 4.993) 6.218 3.806 ( 5.958 -0.000 6.978) 9.175 3.867 ( -1.854 0.000 -11.492) 11.641 4.273 ( -6.690 0.000 -0.912) 6.752 4.324 ( 1.958 -0.000 11.795) 11.956 4.972 ( -11.863 0.000 -6.825) 13.686 5.125 ( -13.444 0.000 19.281) 23.505 5.833 ( 10.567 -0.000 -7.163) 12.766 6.297 ( 1.748 -0.000 -5.175) 5.462 7.293 ( -0.740 0.000 10.901) 10.926 7.645 ( -5.943 0.000 -8.201) 10.128 7.891 ( -11.106 0.000 12.807) 16.952 8.360 ( 0.288 -0.000 -2.820) 2.835 8.561 ( -28.830 0.000 15.446) 32.707 8.929 ( -5.798 0.000 -3.678) 6.866 10.266 ( -0.612 0.000 7.180) 7.206 10.690 ( -8.597 0.000 -12.642) 15.288 10.964 ( -9.681 0.000 9.761) 13.748 11.075 ( 16.737 -0.000 2.209) 16.882 11.725 ( 5.548 -0.000 -2.918) 6.268 12.158 ( -9.743 0.000 6.294) 11.599 13.342 ( -3.306 0.000 -11.885) 12.336 13.717 ( 14.987 -0.000 20.585) 25.462 13.951 ( -11.159 0.000 -3.289) 11.633 15.724 ( 5.568 -0.000 -6.215) 8.344 16.332 ( 9.188 -0.000 1.181) 9.264 16.342 ( -2.509 0.000 -6.332) 6.811 16.928 ( 11.153 -0.000 -2.202) 11.368 17.308 ( -11.320 0.000 -0.454) 11.329 18.534 ( 1.058 -0.000 -4.672) 4.790 18.578 ( -2.641 0.000 6.931) 7.417 ======================= Grid point 348 (170/337) ======================= q-point: (-0.60 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -1.519 3.823 -1.154) 4.273 1.964 ( 4.485 5.642 -5.087) 8.822 2.725 ( -10.406 3.105 0.854) 10.893 2.793 ( -10.729 -6.133 -1.034) 12.402 2.996 ( -6.112 -4.993 9.872) 12.639 3.412 ( -0.453 0.837 -2.554) 2.725 3.765 ( 5.980 4.745 -4.899) 9.070 3.951 ( 0.547 -5.605 2.377) 6.112 4.149 ( -4.828 8.654 4.898) 11.054 4.523 ( 1.787 -6.888 9.813) 12.121 4.722 ( -9.238 1.028 -9.318) 13.161 5.193 ( -12.144 -2.980 21.072) 24.503 5.880 ( 11.154 2.285 -9.254) 14.673 6.250 ( 0.255 0.743 -4.843) 4.906 7.387 ( -1.600 4.517 8.271) 9.558 7.546 ( 0.253 -6.222 -4.061) 7.435 7.849 ( -16.997 -0.603 12.704) 21.229 8.339 ( -20.963 0.385 11.575) 23.949 8.448 ( 3.530 -5.675 5.234) 8.489 8.831 ( -4.596 -0.588 -0.850) 4.711 10.335 ( -1.494 -1.426 6.665) 6.977 10.413 ( -8.958 1.685 -11.614) 14.764 10.865 ( -7.085 16.296 10.085) 20.432 11.402 ( 16.031 -9.840 2.466) 18.971 11.790 ( 4.618 -2.502 -1.145) 5.376 12.120 ( -7.588 -2.337 6.972) 10.566 13.129 ( -3.652 4.243 -14.704) 15.734 13.751 ( -9.021 -2.945 -7.647) 12.187 14.145 ( 8.338 -0.670 23.942) 25.361 15.741 ( 7.385 -0.304 -6.884) 10.100 16.224 ( -2.593 1.883 -6.496) 7.244 16.465 ( 8.193 -0.152 0.672) 8.222 17.067 ( 10.693 2.590 -2.240) 11.228 17.155 ( -9.343 -4.329 0.225) 10.299 18.471 ( -0.300 1.741 -5.667) 5.936 18.601 ( -5.203 -0.753 5.675) 7.736 ======================= Grid point 349 (171/337) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -1.673 7.977 5.925) 10.076 1.901 ( -0.829 9.335 1.654) 9.517 2.544 ( -11.016 4.342 0.915) 11.876 2.708 ( -9.495 -7.660 -0.822) 12.227 3.103 ( -3.212 -8.973 8.016) 12.453 3.341 ( -0.680 1.063 -5.371) 5.518 3.782 ( 6.275 4.040 -4.417) 8.672 3.936 ( -1.679 0.550 -0.455) 1.825 4.136 ( -6.075 5.118 9.416) 12.319 4.557 ( 0.850 -0.791 -5.428) 5.551 4.698 ( 1.292 -6.410 6.699) 9.361 5.316 ( -9.917 -7.252 18.701) 22.376 5.886 ( 9.053 3.170 -9.498) 13.499 6.187 ( -0.520 1.041 -4.057) 4.221 7.364 ( -3.679 5.347 4.862) 8.109 7.633 ( 2.953 -6.165 0.485) 6.853 7.756 ( -20.389 -6.244 13.594) 25.288 8.206 ( -16.507 -1.064 10.197) 19.432 8.707 ( 11.197 -6.694 8.818) 15.746 8.809 ( -2.299 -1.446 5.326) 5.979 10.179 ( -4.361 2.420 -9.405) 10.646 10.408 ( -1.139 -1.232 6.985) 7.183 10.734 ( -7.305 18.068 11.866) 22.817 11.699 ( 17.484 1.043 0.002) 17.515 11.847 ( -2.347 -6.406 2.534) 7.277 12.163 ( -4.157 -7.318 6.339) 10.536 12.827 ( -4.732 11.053 -15.354) 19.501 13.591 ( -9.015 -9.390 -7.999) 15.279 14.501 ( 5.219 -1.921 20.536) 21.276 15.768 ( 7.945 -0.342 -7.762) 11.112 16.091 ( -1.759 3.839 -7.358) 8.484 16.562 ( 7.011 0.892 -1.781) 7.288 16.975 ( -13.091 -3.048 2.418) 13.657 17.295 ( 15.532 -1.247 -0.685) 15.597 18.371 ( -1.332 2.166 -6.861) 7.317 18.578 ( -7.072 -0.743 4.059) 8.188 ======================= Grid point 350 (172/337) ======================= q-point: (-0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.949 10.485 10.953) 15.192 1.836 ( -3.842 8.150 8.602) 12.457 2.400 ( -6.073 4.228 1.545) 7.560 2.663 ( -3.667 -6.786 -1.871) 7.937 3.218 ( -1.417 -9.395 2.250) 9.764 3.263 ( -2.118 0.423 -3.572) 4.174 3.732 ( -0.694 2.427 -2.031) 3.240 3.977 ( 7.267 2.564 -0.182) 7.708 4.029 ( -11.149 5.582 4.062) 13.113 4.643 ( 7.689 -2.889 3.414) 8.895 4.813 ( 0.791 -5.838 1.168) 6.006 5.465 ( -7.797 -10.565 14.531) 19.584 5.860 ( 5.129 3.032 -7.428) 9.522 6.134 ( -0.163 1.194 -2.458) 2.737 7.328 ( -6.473 3.449 8.338) 11.105 7.666 ( -7.002 -5.197 4.640) 9.877 7.787 ( -6.586 -11.382 7.371) 15.075 8.132 ( -12.602 -0.315 10.516) 16.417 8.848 ( 0.209 -6.620 2.771) 7.180 9.089 ( 10.802 -2.561 16.769) 20.110 10.056 ( 3.392 4.567 -4.955) 7.544 10.457 ( -0.522 8.926 7.900) 11.932 10.656 ( -7.647 5.909 13.552) 16.645 11.778 ( 0.391 8.575 3.873) 9.417 11.914 ( 5.329 2.384 -8.184) 10.053 12.235 ( -2.491 -5.997 4.062) 7.660 12.551 ( -4.493 4.327 -3.984) 7.402 13.491 ( -5.349 -14.291 -10.951) 18.782 14.795 ( 2.917 -4.969 16.537) 17.512 15.763 ( 3.714 2.176 -7.995) 9.080 15.958 ( 2.626 3.564 -9.042) 10.068 16.593 ( 5.844 2.812 -5.281) 8.364 16.888 ( -12.920 -6.416 6.191) 15.698 17.522 ( 16.292 -0.363 0.608) 16.307 18.244 ( -2.479 2.351 -7.430) 8.178 18.518 ( -7.655 -0.659 2.402) 8.050 ======================= Grid point 351 (173/337) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 3.453 6.826 9.950) 12.551 1.871 ( -1.140 10.068 14.582) 17.757 2.351 ( -0.281 -0.109 1.457) 1.488 2.683 ( 2.281 -4.585 -2.699) 5.789 3.205 ( -3.654 -1.299 0.423) 3.901 3.257 ( -1.823 -6.984 -4.855) 8.699 3.717 ( -2.710 -2.168 1.201) 3.673 3.880 ( -5.781 3.390 1.772) 6.932 4.046 ( 7.777 8.861 1.840) 11.932 4.788 ( 2.032 1.742 1.586) 3.111 4.878 ( 3.309 -10.121 -1.299) 10.727 5.614 ( -5.811 -12.056 10.300) 16.888 5.804 ( 0.337 2.844 -4.330) 5.192 6.100 ( -1.701 0.857 -0.324) 1.932 7.323 ( -8.096 1.763 12.363) 14.883 7.705 ( -4.608 -9.179 5.274) 11.545 7.882 ( -2.404 -9.595 3.825) 10.605 8.110 ( -10.801 -1.025 13.156) 17.053 8.958 ( 0.871 -7.458 3.524) 8.295 9.370 ( 4.450 -0.266 9.240) 10.259 10.069 ( 7.516 14.157 5.936) 17.093 10.467 ( 3.308 9.539 10.877) 14.841 10.712 ( -7.450 -5.901 11.093) 14.608 11.636 ( -9.541 9.423 -8.215) 15.726 11.772 ( 5.837 17.841 -0.127) 18.772 12.317 ( 0.544 -3.003 2.193) 3.758 12.526 ( -6.506 -7.394 5.396) 11.230 13.452 ( 0.423 -15.418 -12.936) 20.130 15.048 ( 1.868 -9.248 10.788) 14.332 15.622 ( -2.443 7.860 -7.757) 11.310 15.928 ( 8.819 -0.789 -9.636) 13.086 16.562 ( 6.076 5.172 -7.765) 11.133 16.865 ( -12.453 -8.221 8.190) 17.022 17.747 ( 15.375 0.819 0.555) 15.407 18.096 ( -4.862 3.098 -5.050) 7.664 18.450 ( -5.751 -1.479 0.831) 5.996 ======================= Grid point 352 (174/337) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.224 9.491 9.468) 13.408 2.019 ( 11.958 3.983 11.045) 16.758 2.423 ( 3.578 -4.613 1.478) 6.022 2.739 ( 6.138 -4.235 -3.326) 8.165 3.191 ( -5.704 -1.579 -0.332) 5.928 3.201 ( -4.507 -6.325 -1.498) 7.910 3.634 ( -4.589 0.009 -4.826) 6.659 3.938 ( 2.735 1.651 11.422) 11.860 4.077 ( 9.720 9.690 -2.607) 13.970 4.714 ( -3.292 3.178 -5.370) 7.055 5.018 ( 1.261 -10.003 0.969) 10.129 5.709 ( -5.852 2.037 2.273) 6.600 5.753 ( -2.176 -9.465 1.660) 9.852 6.064 ( -5.354 -1.082 3.358) 6.412 7.345 ( -9.500 2.210 14.842) 17.760 7.799 ( -4.097 -10.244 4.504) 11.917 7.991 ( 3.452 -8.394 1.034) 9.135 8.173 ( -8.489 -4.090 18.332) 20.612 9.059 ( 0.021 -6.466 1.122) 6.563 9.418 ( -2.154 1.843 -0.592) 2.896 10.079 ( 0.982 22.702 15.033) 27.246 10.652 ( 5.987 2.353 11.314) 13.014 10.763 ( -6.270 -7.008 5.511) 10.899 11.356 ( -1.416 11.635 -6.460) 13.384 11.736 ( 2.795 11.286 6.376) 13.260 12.306 ( -4.903 0.242 -0.476) 4.932 12.567 ( -7.435 -7.100 6.052) 11.929 13.481 ( 5.156 -13.126 -11.313) 18.079 15.175 ( -5.908 -5.646 -2.703) 8.608 15.496 ( 4.669 3.086 -0.874) 5.665 15.957 ( 7.893 -2.663 -8.873) 12.171 16.502 ( 8.400 7.834 -9.604) 14.972 16.865 ( -13.178 -8.884 8.819) 18.176 17.872 ( 6.899 6.039 -7.990) 12.162 18.011 ( -0.227 0.252 7.276) 7.283 18.419 ( -1.983 -3.253 -0.503) 3.843 ======================= Grid point 353 (175/337) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 2.570 5.474 3.856) 7.172 2.304 ( 14.220 2.281 10.638) 17.905 2.500 ( 3.039 -5.699 -5.061) 8.205 2.878 ( 9.578 -4.230 1.367) 10.559 3.078 ( -7.263 -1.090 -2.838) 7.873 3.180 ( -9.754 -9.296 -0.193) 13.476 3.570 ( 4.202 6.211 -0.033) 7.499 4.017 ( -0.619 10.460 4.473) 11.393 4.160 ( 14.208 0.595 -1.222) 14.272 4.568 ( -4.534 1.927 -4.999) 7.019 5.091 ( -4.382 -9.007 1.067) 10.073 5.592 ( -8.317 4.829 1.758) 9.776 5.798 ( -5.631 -7.348 0.456) 9.269 6.085 ( -3.359 -5.485 6.234) 8.957 7.342 ( -11.179 4.129 13.908) 18.315 7.842 ( -7.980 -6.942 4.602) 11.535 8.150 ( 7.260 -7.665 -0.442) 10.567 8.369 ( -4.943 -7.343 22.151) 23.854 9.070 ( -3.178 -2.671 -3.669) 5.540 9.311 ( -5.955 1.462 -3.560) 7.091 10.068 ( -0.578 19.509 15.968) 25.217 10.629 ( -16.015 -6.589 1.301) 17.366 10.861 ( 8.281 7.489 2.078) 11.357 11.290 ( 4.422 4.840 1.374) 6.699 11.829 ( 5.834 4.151 12.100) 14.060 12.197 ( -6.490 2.245 -1.576) 7.046 12.577 ( -7.614 -3.940 5.872) 10.391 13.553 ( 6.301 -9.362 -8.175) 13.935 14.965 ( -10.489 2.959 -10.228) 14.947 15.633 ( 7.988 -5.412 1.140) 9.715 15.976 ( 4.979 -2.740 -7.807) 9.656 16.452 ( 11.946 8.112 -10.472) 17.838 16.854 ( -13.527 -7.827 8.253) 17.674 17.759 ( -2.122 5.898 -3.388) 7.125 18.150 ( 6.122 0.880 6.338) 8.856 18.439 ( 1.214 -4.385 -1.256) 4.720 ======================= Grid point 358 (176/337) ======================= q-point: ( 0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.891 -0.000 3.496) 3.608 1.993 ( 1.076 -0.000 -2.099) 2.359 2.585 ( -11.786 0.000 0.701) 11.806 2.628 ( -10.509 0.000 1.917) 10.682 3.018 ( -2.403 0.000 8.829) 9.151 3.350 ( -0.549 0.000 -5.969) 5.995 3.851 ( 7.966 -0.000 -3.359) 8.645 3.875 ( -6.092 0.000 -2.234) 6.489 4.247 ( 1.664 -0.000 8.139) 8.308 4.507 ( -8.465 0.000 -2.508) 8.828 4.655 ( 5.097 -0.000 4.970) 7.119 5.245 ( -12.228 0.000 20.063) 23.496 5.915 ( 9.075 -0.000 -10.438) 13.832 6.196 ( -0.916 0.000 -3.809) 3.918 7.454 ( 1.978 -0.000 -5.295) 5.652 7.530 ( -2.164 0.000 11.663) 11.862 7.704 ( -23.041 0.000 12.422) 26.176 8.201 ( -15.326 0.000 10.381) 18.511 8.643 ( 11.315 -0.000 7.465) 13.556 8.797 ( -1.581 0.000 6.724) 6.907 10.193 ( -4.493 0.000 -10.128) 11.080 10.390 ( -1.060 0.000 7.426) 7.501 10.957 ( -9.149 0.000 12.087) 15.159 11.607 ( 13.735 -0.000 3.610) 14.201 11.851 ( 7.257 -0.000 -0.697) 7.291 12.087 ( -7.430 0.000 7.914) 10.855 12.942 ( -1.825 0.000 -15.742) 15.848 13.495 ( -12.202 0.000 -8.511) 14.877 14.484 ( 4.691 -0.000 20.265) 20.800 15.763 ( 8.559 -0.000 -8.243) 11.883 16.126 ( -1.979 0.000 -6.920) 7.197 16.570 ( 7.475 -0.000 -1.301) 7.587 16.947 ( -14.940 0.000 2.445) 15.139 17.285 ( 17.450 -0.000 -1.444) 17.510 18.390 ( -1.654 0.000 -7.278) 7.464 18.572 ( -7.142 0.000 4.624) 8.509 ======================= Grid point 360 (177/337) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 1.939 4.799 8.097) 9.610 1.951 ( -2.325 4.053 1.234) 4.832 2.456 ( -8.081 2.063 1.800) 8.532 2.552 ( -4.908 -4.831 0.729) 6.925 3.106 ( 0.900 -2.994 4.415) 5.410 3.265 ( -4.243 -0.117 -3.629) 5.584 3.757 ( -5.730 0.614 -1.340) 5.917 3.917 ( 6.999 -2.606 -6.371) 9.817 4.266 ( -1.695 14.324 6.815) 15.953 4.509 ( 1.945 -11.643 1.635) 11.917 4.769 ( 3.069 0.046 3.965) 5.014 5.320 ( -9.413 -4.805 15.522) 18.778 5.898 ( 5.431 1.196 -8.789) 10.401 6.148 ( -0.803 0.386 -2.103) 2.284 7.405 ( -2.375 4.868 1.544) 5.633 7.556 ( -20.285 -6.567 12.916) 24.929 7.652 ( 0.786 -3.399 5.467) 6.485 8.139 ( -11.518 0.530 10.609) 15.668 8.754 ( 1.228 -3.114 1.705) 3.756 9.063 ( 11.101 -0.594 18.418) 21.513 10.089 ( 4.208 0.503 -6.227) 7.532 10.476 ( -0.505 -1.096 8.710) 8.793 10.911 ( -9.039 12.900 12.859) 20.334 11.758 ( -3.414 -6.810 1.305) 7.729 11.979 ( 11.572 6.267 3.973) 13.747 12.119 ( -2.816 -6.485 6.264) 9.446 12.711 ( -0.088 9.015 -14.814) 17.341 13.266 ( -10.958 -9.318 -9.384) 17.174 14.735 ( 0.857 -1.739 16.351) 16.465 15.780 ( 7.912 0.239 -9.001) 11.986 16.010 ( -1.152 1.781 -8.175) 8.446 16.628 ( 6.196 1.006 -4.610) 7.788 16.810 ( -12.958 -2.222 6.117) 14.500 17.518 ( 17.576 -0.103 -0.171) 17.577 18.270 ( -2.447 0.733 -7.946) 8.346 18.511 ( -7.877 -0.169 2.781) 8.355 ======================= Grid point 361 (178/337) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 2.361 4.343 3.950) 6.328 2.031 ( 2.865 7.075 12.042) 14.258 2.366 ( -3.649 2.182 0.303) 4.262 2.590 ( 2.440 -5.877 -0.976) 6.438 3.148 ( -5.493 -3.376 -1.924) 6.729 3.180 ( -2.519 -2.725 0.040) 3.711 3.686 ( -5.201 -0.987 1.111) 5.409 3.935 ( 5.773 2.056 -5.139) 7.998 4.226 ( 2.259 11.355 6.487) 13.271 4.675 ( 2.268 -12.245 1.073) 12.500 4.820 ( 2.080 1.516 0.572) 2.637 5.424 ( -5.547 -8.506 10.194) 14.389 5.847 ( 0.421 1.808 -4.891) 5.232 6.112 ( -1.834 0.486 -1.158) 2.223 7.360 ( -8.205 2.547 10.334) 13.439 7.543 ( -7.100 -8.311 5.526) 12.248 7.753 ( -0.675 -5.014 5.428) 7.421 8.112 ( -10.636 0.694 12.330) 16.298 8.840 ( 1.915 -5.218 2.999) 6.316 9.369 ( 5.529 0.063 11.183) 12.475 10.191 ( 14.910 2.147 3.874) 15.554 10.582 ( -1.764 -1.620 9.604) 9.898 10.798 ( -8.887 16.593 13.077) 22.920 11.682 ( -10.973 -1.850 -2.465) 11.397 12.024 ( -2.992 6.031 3.070) 7.400 12.276 ( 7.902 -2.146 4.351) 9.272 12.499 ( -1.290 7.732 -5.547) 9.603 13.170 ( -2.646 -16.149 -10.806) 19.610 14.921 ( -1.422 -5.022 12.161) 13.234 15.739 ( 2.172 4.992 -8.313) 9.936 15.908 ( 3.379 -1.218 -9.651) 10.298 16.628 ( 5.569 1.959 -6.002) 8.419 16.761 ( -9.729 -3.246 6.933) 12.380 17.754 ( 16.132 0.115 0.752) 16.150 18.138 ( -2.902 1.613 -6.883) 7.642 18.430 ( -7.187 -0.784 0.837) 7.278 ======================= Grid point 362 (179/337) ======================= q-point: (-0.30 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 7.637 3.546 4.946) 9.766 2.133 ( 4.645 9.459 9.832) 14.413 2.359 ( 1.973 -2.430 1.660) 3.543 2.673 ( 6.581 -3.399 -2.266) 7.746 3.066 ( -9.658 -7.988 -0.838) 12.561 3.157 ( -4.200 -2.063 -1.869) 5.039 3.647 ( -0.595 0.847 -0.666) 1.231 3.977 ( 5.568 2.607 3.720) 7.186 4.244 ( 5.296 9.006 1.954) 10.629 4.727 ( -2.943 -3.836 -5.441) 7.278 4.870 ( 2.642 -4.640 1.183) 5.469 5.544 ( -2.240 -10.515 5.127) 11.911 5.770 ( -4.477 2.355 -0.403) 5.075 6.052 ( -5.538 -0.383 -0.199) 5.555 7.376 ( -8.081 1.263 14.292) 16.467 7.618 ( -2.660 -9.548 4.531) 10.898 7.854 ( 1.601 -6.431 3.130) 7.329 8.129 ( -9.670 -1.205 15.674) 18.456 8.949 ( 2.159 -5.486 1.974) 6.217 9.449 ( -0.820 1.508 -0.098) 1.719 10.444 ( 8.725 15.147 14.002) 22.397 10.636 ( -9.777 -3.881 7.393) 12.858 10.753 ( 4.137 8.244 12.395) 15.451 11.480 ( -9.287 2.291 -5.327) 10.948 11.933 ( -3.567 8.498 3.382) 9.817 12.372 ( 2.678 8.892 -1.268) 9.373 12.432 ( -5.667 -7.561 6.038) 11.214 13.228 ( 6.523 -15.453 -9.429) 19.242 15.048 ( -3.595 -7.035 4.846) 9.269 15.597 ( 0.109 6.803 -6.081) 9.125 15.899 ( 5.687 -3.844 -8.474) 10.906 16.617 ( 8.885 4.764 -8.625) 13.268 16.741 ( -10.675 -4.809 7.751) 14.041 17.950 ( 14.094 2.524 -7.227) 16.039 18.025 ( -4.029 1.586 4.296) 6.099 18.364 ( -4.344 -2.849 -0.784) 5.254 ======================= Grid point 363 (180/337) ======================= q-point: (-0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 0.197 7.576 0.873) 7.629 2.333 ( 16.008 0.872 5.886) 17.078 2.439 ( 1.138 -1.176 2.518) 3.003 2.803 ( 7.592 -3.354 1.277) 8.398 3.003 ( -12.552 -10.007 0.646) 16.066 3.074 ( -1.161 -0.518 -3.984) 4.182 3.656 ( 4.751 3.400 0.404) 5.856 4.103 ( 1.209 -0.291 9.343) 9.426 4.247 ( 10.681 8.481 -6.321) 15.032 4.602 ( -5.358 1.293 -6.367) 8.421 4.944 ( -1.567 -6.977 0.721) 7.187 5.640 ( -2.526 -9.447 -0.462) 9.790 5.669 ( -7.827 3.392 2.355) 8.849 5.996 ( -6.171 -4.347 2.893) 8.084 7.410 ( -9.214 3.240 14.632) 17.592 7.709 ( -4.948 -7.851 5.943) 11.020 7.996 ( 6.561 -8.836 0.115) 11.006 8.247 ( -6.645 -5.932 19.712) 21.632 9.016 ( 0.380 -3.118 -1.209) 3.366 9.350 ( -5.319 2.484 -5.472) 8.025 10.410 ( -9.699 13.394 11.596) 20.198 10.559 ( -10.826 4.258 4.077) 12.327 10.986 ( 11.498 5.757 8.382) 15.349 11.345 ( -0.922 1.062 -0.421) 1.468 11.901 ( -1.869 3.674 7.673) 8.710 12.278 ( -3.492 6.580 0.322) 7.456 12.494 ( -3.868 -4.817 5.790) 8.467 13.371 ( 9.560 -10.890 -6.533) 15.895 14.987 ( -8.144 -0.709 -7.984) 11.427 15.570 ( 3.600 -1.451 1.175) 4.056 15.923 ( 5.511 -3.187 -6.313) 8.966 16.582 ( 8.795 6.307 -10.181) 14.858 16.735 ( -8.994 -5.311 7.010) 12.579 17.860 ( -1.172 5.548 -5.492) 7.894 18.164 ( 7.491 0.697 5.558) 9.354 18.354 ( -0.577 -5.166 -1.230) 5.342 ======================= Grid point 364 (181/337) ======================= q-point: (-0.10 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -0.741 2.451 -2.603) 3.652 2.466 ( 2.417 0.646 -1.948) 3.171 2.613 ( 14.095 1.691 5.122) 15.091 2.791 ( -15.687 -8.454 0.887) 17.842 2.970 ( -0.717 -6.401 -1.559) 6.627 3.160 ( 12.246 1.896 3.611) 12.907 3.695 ( 1.778 3.934 2.573) 5.025 4.122 ( -2.272 8.793 1.592) 9.220 4.282 ( 9.685 -2.217 -10.867) 14.725 4.486 ( -1.694 1.295 0.977) 2.345 4.973 ( -4.549 -5.944 2.464) 7.880 5.516 ( -12.246 3.156 2.498) 12.891 5.656 ( -4.419 -6.609 -1.745) 8.139 6.045 ( -0.491 -8.355 2.557) 8.751 7.389 ( -10.216 5.800 12.444) 17.113 7.753 ( -8.680 -4.700 9.007) 13.362 8.158 ( 6.641 -7.419 -2.963) 10.389 8.479 ( -5.076 -9.395 21.402) 23.918 8.959 ( -4.739 1.249 -5.503) 7.369 9.182 ( -5.696 1.032 -5.627) 8.073 10.272 ( -15.203 -5.478 1.033) 16.193 10.407 ( -6.599 15.544 8.262) 18.800 11.070 ( 6.980 9.603 0.919) 11.908 11.397 ( 1.521 1.772 4.119) 4.735 11.940 ( -3.489 1.054 4.716) 5.960 12.214 ( -3.745 2.728 6.228) 7.762 12.581 ( 2.158 -1.815 9.295) 9.713 13.510 ( 8.770 -5.975 -4.830) 11.660 14.719 ( -10.374 2.787 -12.722) 16.651 15.674 ( 2.686 -5.398 1.177) 6.143 15.969 ( 7.509 -0.986 -3.953) 8.543 16.522 ( 4.614 3.335 -8.462) 10.199 16.745 ( -3.640 -3.071 3.250) 5.766 17.739 ( -3.027 5.412 -2.175) 6.571 18.301 ( 5.757 0.101 3.139) 6.558 18.406 ( 1.902 -4.992 0.464) 5.362 ======================= Grid point 370 (182/337) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 2.467 -0.000 1.140) 2.717 2.095 ( 4.261 0.000 8.805) 9.782 2.414 ( -4.858 -0.000 3.599) 6.046 2.507 ( 2.534 -0.000 -0.870) 2.679 3.128 ( -10.759 0.000 -1.728) 10.897 3.143 ( 0.820 -0.000 0.667) 1.057 3.679 ( -5.048 -0.000 1.485) 5.262 3.951 ( 10.056 -0.000 -6.973) 12.237 4.412 ( -0.418 0.000 2.265) 2.303 4.480 ( 1.394 -0.000 6.091) 6.248 4.837 ( 2.794 -0.000 0.191) 2.801 5.343 ( -5.536 -0.000 10.597) 11.956 5.863 ( 0.562 -0.000 -5.339) 5.368 6.116 ( -1.957 -0.000 -1.262) 2.329 7.413 ( -19.683 -0.000 18.305) 26.879 7.436 ( 4.687 0.000 -4.509) 6.504 7.708 ( -1.256 -0.000 7.178) 7.287 8.120 ( -10.782 -0.000 12.053) 16.172 8.792 ( 2.436 -0.000 2.991) 3.857 9.369 ( 5.933 -0.000 11.743) 13.157 10.205 ( 15.735 -0.000 3.763) 16.178 10.560 ( -2.992 -0.000 10.075) 10.510 10.989 ( -8.412 -0.000 12.062) 14.705 11.637 ( -10.229 -0.000 -1.240) 10.304 12.054 ( -8.830 -0.000 7.256) 11.429 12.250 ( 7.775 -0.000 6.112) 9.889 12.663 ( 12.433 0.000 -14.734) 19.279 12.960 ( -11.120 -0.000 -7.527) 13.428 14.876 ( -2.545 -0.000 12.484) 12.741 15.786 ( 7.263 -0.000 -8.412) 11.114 15.895 ( -2.040 0.000 -9.705) 9.917 16.639 ( 2.286 -0.000 -3.247) 3.971 16.740 ( -5.575 -0.000 4.297) 7.039 17.754 ( 16.322 -0.000 0.723) 16.338 18.152 ( -2.077 -0.000 -7.400) 7.686 18.423 ( -7.842 -0.000 0.839) 7.886 ======================= Grid point 372 (183/337) ======================= q-point: (-0.40 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 9.554 0.856 1.767) 9.754 2.260 ( 5.843 2.074 9.744) 11.549 2.381 ( -0.920 6.161 2.612) 6.755 2.593 ( 6.981 -5.760 -1.896) 9.247 2.962 ( -11.577 -2.966 -1.181) 12.009 3.127 ( -3.574 -1.100 -1.282) 3.953 3.656 ( -1.064 0.266 1.992) 2.274 4.014 ( 8.212 1.167 -3.380) 8.956 4.393 ( 1.718 7.578 2.875) 8.285 4.593 ( 0.311 -8.276 -0.023) 8.282 4.853 ( 1.622 0.410 -1.644) 2.346 5.407 ( -1.521 -4.304 5.339) 7.024 5.799 ( -4.545 0.827 -0.192) 4.624 6.048 ( -5.727 -0.070 -1.895) 6.033 7.395 ( -10.751 0.980 16.449) 19.675 7.486 ( 2.880 -4.715 -0.332) 5.535 7.777 ( -0.708 -2.180 5.808) 6.244 8.120 ( -10.807 -0.099 14.279) 17.908 8.879 ( 3.586 -2.155 2.777) 5.021 9.468 ( -0.059 0.575 0.150) 0.597 10.568 ( 12.483 1.871 13.528) 18.502 10.586 ( -3.564 -1.470 9.223) 9.996 10.979 ( -3.677 11.542 11.166) 16.475 11.457 ( -12.843 -3.418 -3.871) 13.842 12.004 ( -9.127 0.985 6.681) 11.354 12.329 ( -4.726 -3.349 4.008) 7.044 12.620 ( 5.935 17.213 -4.760) 18.820 12.937 ( 9.291 -17.315 -7.597) 21.068 14.958 ( -4.269 -2.779 7.804) 9.319 15.710 ( -1.405 5.490 -8.781) 10.451 15.825 ( 5.077 -4.285 -7.377) 9.928 16.647 ( 1.198 -0.603 0.298) 1.374 16.712 ( -1.197 0.732 -1.392) 1.977 17.970 ( 15.736 0.340 -2.452) 15.930 18.056 ( -2.713 1.272 -1.554) 3.376 18.325 ( -6.713 -1.300 -0.956) 6.904 ======================= Grid point 373 (184/337) ======================= q-point: (-0.30 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 2.411 5.715 0.333) 6.212 2.368 ( 9.241 4.701 3.418) 10.917 2.434 ( 3.675 0.064 6.422) 7.399 2.720 ( -0.698 -8.864 1.952) 9.103 2.878 ( 0.083 -1.387 -1.558) 2.088 3.056 ( -2.261 -1.581 -2.720) 3.874 3.692 ( 3.802 0.832 1.405) 4.137 4.075 ( 1.687 -2.012 1.264) 2.914 4.388 ( 5.245 6.931 -1.705) 8.858 4.595 ( -2.394 -2.130 -5.220) 6.125 4.862 ( 0.833 -2.242 -0.384) 2.423 5.484 ( 0.104 -6.953 0.321) 6.961 5.724 ( -7.619 2.517 3.662) 8.820 5.934 ( -8.855 -2.678 -0.804) 9.286 7.449 ( -8.406 1.219 16.139) 18.238 7.581 ( 0.625 -6.022 3.563) 7.025 7.868 ( 3.417 -5.074 1.928) 6.414 8.169 ( -9.312 -2.844 17.328) 19.876 8.969 ( 3.048 -1.963 0.774) 3.707 9.387 ( -4.338 1.606 -6.358) 7.863 10.436 ( -19.635 -1.549 2.684) 19.878 10.854 ( -0.847 18.784 11.685) 22.138 11.058 ( 13.307 2.749 12.670) 18.579 11.317 ( -6.481 -4.506 -0.952) 7.951 11.958 ( -5.809 2.810 7.377) 9.801 12.319 ( -8.246 -3.936 3.837) 9.910 12.509 ( 0.512 7.976 0.133) 7.993 13.180 ( 16.203 -10.067 -4.911) 19.698 14.953 ( -6.179 -2.348 -2.472) 7.057 15.572 ( -1.881 1.112 -3.306) 3.963 15.870 ( 6.703 -2.519 -4.484) 8.449 16.650 ( -7.088 -0.399 1.832) 7.332 16.687 ( 8.509 1.458 -5.931) 10.474 17.952 ( 1.815 4.554 -7.299) 8.792 18.174 ( 7.863 0.477 5.382) 9.540 18.264 ( -3.256 -4.706 -1.090) 5.825 ======================= Grid point 374 (185/337) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -6.790 6.132 -1.087) 9.213 2.503 ( 4.874 3.291 0.717) 5.925 2.569 ( 0.117 -8.028 5.522) 9.744 2.697 ( -5.517 -1.415 0.775) 5.748 2.909 ( 3.931 -0.050 -0.359) 3.948 3.166 ( 16.099 -1.562 0.601) 16.186 3.747 ( 1.941 2.314 2.000) 3.622 4.106 ( -6.698 -6.993 2.218) 9.934 4.357 ( 9.183 7.427 -12.136) 16.934 4.500 ( -3.917 0.302 -0.133) 3.931 4.903 ( 1.265 -2.186 1.281) 2.832 5.510 ( -5.076 -5.394 -1.202) 7.504 5.602 ( -8.989 2.775 0.172) 9.409 5.903 ( -3.256 -7.428 2.924) 8.621 7.477 ( -10.072 3.943 14.631) 18.195 7.670 ( -4.451 -4.536 8.017) 10.230 8.010 ( 8.061 -8.211 -1.812) 11.648 8.320 ( -6.321 -7.869 19.254) 21.739 8.976 ( -2.626 0.727 -3.379) 4.341 9.215 ( -4.353 2.104 -7.598) 9.006 10.175 ( -20.714 -3.812 -2.209) 21.177 10.720 ( -7.021 17.022 7.456) 19.866 11.211 ( 1.697 5.017 1.992) 5.659 11.410 ( 4.756 1.058 9.370) 10.561 11.976 ( -0.989 2.789 7.452) 8.018 12.248 ( -8.740 0.581 3.053) 9.276 12.544 ( 1.895 -2.155 7.958) 8.460 13.417 ( 15.555 -4.273 -3.227) 16.450 14.756 ( -9.089 1.345 -12.964) 15.890 15.582 ( -0.601 -4.723 3.151) 5.709 15.950 ( 8.430 -0.996 -2.326) 8.801 16.556 ( -5.304 0.534 -2.809) 6.026 16.727 ( 6.929 0.790 -4.259) 8.171 17.843 ( -0.937 6.311 -3.991) 7.526 18.254 ( 2.593 -5.682 -3.881) 7.353 18.353 ( 3.944 -0.479 7.395) 8.395 ======================= Grid point 375 (186/337) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -9.241 0.455 -0.807) 9.287 2.411 ( -17.524 -2.701 -4.439) 18.278 2.558 ( 1.680 -1.472 1.742) 2.832 2.845 ( 10.338 -0.263 4.334) 11.213 3.001 ( 7.826 -0.196 1.904) 8.057 3.402 ( 13.019 1.870 3.268) 13.553 3.716 ( -7.409 2.036 2.448) 8.064 4.050 ( -12.431 -6.606 0.072) 14.077 4.227 ( 7.094 7.543 -14.738) 18.012 4.549 ( 3.802 -3.275 3.949) 6.386 4.961 ( 2.534 0.325 2.749) 3.753 5.366 ( -14.640 1.431 0.685) 14.726 5.530 ( -2.673 -5.463 -2.636) 6.628 6.003 ( 2.988 -8.311 0.825) 8.871 7.445 ( -11.284 5.936 13.691) 18.709 7.720 ( -7.727 -2.485 10.222) 13.052 8.138 ( 5.595 -4.774 -5.504) 9.186 8.541 ( -6.271 -10.170 18.716) 22.205 8.812 ( -8.869 0.763 -6.098) 10.790 9.094 ( -0.295 3.804 -5.372) 6.589 9.942 ( -15.957 -9.536 -2.537) 18.762 10.566 ( -6.511 13.982 6.301) 16.661 11.203 ( 0.810 2.263 0.670) 2.495 11.443 ( -3.760 8.276 1.804) 9.267 12.020 ( 3.459 7.005 4.018) 8.785 12.182 ( -9.263 -2.062 6.768) 11.656 12.767 ( 5.990 -6.160 13.809) 16.264 13.597 ( 13.787 1.639 -2.937) 14.192 14.438 ( -11.367 1.629 -14.110) 18.192 15.660 ( -0.149 -4.799 2.680) 5.499 16.063 ( 10.208 -0.094 -1.242) 10.284 16.443 ( -5.593 -1.046 -3.734) 6.806 16.765 ( 7.511 0.747 -5.092) 9.105 17.729 ( -2.972 6.578 -1.498) 7.372 18.308 ( 3.364 -6.872 -4.004) 8.636 18.481 ( 2.486 0.682 7.339) 7.778 ======================= Grid point 382 (187/337) ======================= q-point: (-0.40 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 8.093 -0.000 2.188) 8.384 2.430 ( 3.468 -0.000 5.626) 6.609 2.511 ( 4.533 -0.000 6.660) 8.056 2.539 ( -6.138 0.000 -2.025) 6.464 2.890 ( 9.099 -0.000 -2.723) 9.498 3.034 ( -5.815 0.000 -1.511) 6.008 3.697 ( 3.020 -0.000 2.420) 3.870 4.054 ( 1.005 -0.000 -2.538) 2.730 4.467 ( 1.627 -0.000 0.596) 1.733 4.556 ( 2.151 -0.000 -4.672) 5.143 4.847 ( 1.133 -0.000 -1.632) 1.987 5.420 ( 0.649 -0.000 0.837) 1.059 5.749 ( -6.859 0.000 5.321) 8.681 5.907 ( -10.290 0.000 -3.215) 10.780 7.460 ( -12.058 0.000 21.225) 24.411 7.521 ( 7.415 -0.000 -2.844) 7.942 7.823 ( 1.420 -0.000 3.299) 3.591 8.145 ( -10.458 0.000 16.410) 19.459 8.951 ( 4.028 -0.000 1.562) 4.321 9.402 ( -3.954 0.000 -6.611) 7.703 10.421 ( -19.643 0.000 2.681) 19.825 11.046 ( 18.502 -0.000 17.401) 25.399 11.138 ( -1.105 0.000 11.364) 11.418 11.203 ( -12.498 0.000 -4.445) 13.265 11.989 ( -6.628 0.000 9.212) 11.349 12.265 ( -6.760 0.000 3.002) 7.396 12.613 ( -6.973 0.000 -2.411) 7.378 13.070 ( 23.949 -0.000 -3.621) 24.221 14.928 ( -5.718 0.000 0.085) 5.718 15.586 ( -4.534 0.000 -6.003) 7.523 15.846 ( 7.827 -0.000 -3.323) 8.503 16.637 ( -8.130 0.000 5.513) 9.823 16.711 ( 10.211 -0.000 -9.946) 14.254 18.000 ( 5.152 -0.000 -8.838) 10.230 18.182 ( 7.540 -0.000 7.231) 10.447 18.211 ( -5.969 0.000 -2.040) 6.308 ======================= Grid point 383 (188/337) ======================= q-point: (-0.30 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -11.332 9.385 1.882) 14.834 2.389 ( -12.340 -10.787 3.190) 16.698 2.569 ( 5.182 2.903 2.554) 6.465 2.677 ( 8.790 -1.185 1.972) 9.086 2.962 ( 5.068 4.923 -0.353) 7.074 3.103 ( 17.720 -4.867 -2.202) 18.508 3.783 ( 4.354 1.513 3.122) 5.567 3.991 ( -8.801 -4.438 -1.092) 9.917 4.456 ( 2.735 3.393 -5.160) 6.754 4.499 ( -1.726 -0.449 -6.172) 6.425 4.881 ( 4.961 -0.548 0.391) 5.006 5.429 ( -1.051 -2.678 -1.385) 3.193 5.674 ( -11.172 4.589 -0.761) 12.102 5.785 ( -5.291 -5.753 4.418) 8.978 7.524 ( -13.591 1.340 20.884) 24.953 7.606 ( 4.155 -2.195 1.283) 4.871 7.902 ( 6.252 -3.369 -0.651) 7.131 8.222 ( -8.149 -2.872 17.893) 19.870 8.985 ( -1.168 0.258 -2.129) 2.442 9.244 ( -3.341 0.888 -8.493) 9.169 10.135 ( -22.001 -0.992 -2.276) 22.141 10.957 ( -9.346 8.275 -0.797) 12.509 11.235 ( -4.556 -0.913 7.832) 9.107 11.445 ( 11.363 1.811 14.307) 18.360 12.029 ( -0.696 2.632 8.669) 9.086 12.229 ( -6.430 -1.949 3.997) 7.818 12.516 ( -5.298 -0.784 3.197) 6.237 13.367 ( 22.112 -1.364 -1.941) 22.239 14.769 ( -8.157 0.258 -11.792) 14.341 15.520 ( -3.411 -1.931 3.250) 5.092 15.938 ( 9.047 -0.371 -1.424) 9.166 16.557 ( -7.810 -0.107 -0.135) 7.811 16.747 ( 10.063 0.841 -8.038) 12.907 17.953 ( 3.266 5.346 -6.346) 8.917 18.144 ( -2.194 -5.511 -2.989) 6.642 18.355 ( 5.322 0.197 7.801) 9.445 ======================= Grid point 384 (189/337) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -16.515 5.286 2.966) 17.592 2.274 ( -22.568 -10.115 2.582) 24.866 2.613 ( 5.993 4.808 -1.363) 7.803 2.847 ( 11.880 -0.269 1.953) 12.043 3.036 ( 9.411 4.312 0.991) 10.399 3.379 ( 16.345 -4.743 -0.471) 17.026 3.746 ( -11.916 1.764 1.203) 12.106 3.941 ( -6.981 -4.455 2.609) 8.682 4.350 ( 4.521 5.171 -13.268) 14.940 4.469 ( 0.330 -4.441 1.719) 4.773 4.980 ( 7.929 1.175 0.753) 8.051 5.385 ( -8.326 -0.018 -0.941) 8.379 5.466 ( -8.583 -1.118 -3.142) 9.208 5.873 ( 1.884 -5.904 3.828) 7.284 7.529 ( -15.851 3.401 19.375) 25.263 7.685 ( -0.738 -1.323 5.448) 5.655 8.033 ( 8.753 -5.939 -3.265) 11.070 8.379 ( -5.238 -7.155 17.447) 19.571 8.823 ( -10.989 0.521 -7.216) 13.156 9.163 ( 3.471 3.280 -5.275) 7.116 9.828 ( -19.504 -3.803 -3.515) 20.180 10.772 ( -7.153 8.323 0.614) 10.991 11.215 ( -7.940 0.568 4.270) 9.034 11.608 ( 0.638 7.841 6.984) 10.520 12.118 ( 5.131 3.898 5.463) 8.448 12.178 ( -6.833 2.365 4.799) 8.678 12.618 ( 0.188 -10.033 11.042) 14.920 13.639 ( 20.243 2.522 -0.730) 20.412 14.461 ( -11.415 0.924 -16.033) 19.703 15.576 ( -1.979 -4.085 6.689) 8.084 16.061 ( 10.300 -0.129 -0.770) 10.330 16.431 ( -7.596 -0.367 -3.285) 8.284 16.783 ( 9.462 0.970 -7.777) 12.286 17.858 ( 0.038 7.865 -3.346) 8.548 18.171 ( 1.989 -8.328 -4.040) 9.467 18.497 ( 2.687 0.858 8.318) 8.783 ======================= Grid point 385 (190/337) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -17.387 -0.185 5.098) 18.120 2.041 ( -22.733 -6.606 -1.190) 23.703 2.642 ( 6.982 3.140 -2.110) 7.941 3.031 ( 8.642 -0.263 4.523) 9.757 3.110 ( 0.113 0.964 2.128) 2.339 3.559 ( -11.066 -9.294 0.971) 14.484 3.599 ( 5.665 4.174 2.362) 7.423 3.838 ( -12.104 0.943 0.718) 12.162 4.235 ( 5.502 6.549 -9.835) 13.034 4.620 ( 7.983 -6.424 3.014) 10.681 5.069 ( 7.069 3.186 -1.728) 7.944 5.189 ( -13.301 2.438 1.293) 13.584 5.427 ( -0.467 -6.329 -1.917) 6.629 6.002 ( 5.090 -6.230 0.293) 8.050 7.481 ( -17.359 4.348 18.332) 25.619 7.732 ( -2.846 0.304 6.502) 7.104 8.108 ( 3.807 -0.660 -6.555) 7.609 8.572 ( -5.553 -7.654 15.806) 18.419 8.623 ( -7.671 -2.732 -3.932) 9.043 9.106 ( 2.915 6.515 -4.841) 8.624 9.641 ( -12.555 -10.370 -0.343) 16.288 10.619 ( -6.514 8.633 1.882) 10.977 11.131 ( -9.288 -2.513 0.805) 9.655 11.511 ( -3.944 13.467 -1.007) 14.068 12.099 ( -4.953 2.270 3.058) 6.248 12.248 ( 5.465 5.438 7.588) 10.817 12.865 ( 3.146 -13.643 5.877) 15.185 13.828 ( 13.427 8.258 -0.526) 15.772 14.147 ( -10.694 -0.635 -7.225) 12.921 15.660 ( -0.801 -3.432 4.773) 5.933 16.183 ( 10.009 -0.399 -5.706) 11.528 16.310 ( -6.026 -1.595 0.368) 6.244 16.816 ( 9.507 0.451 -7.702) 12.243 17.744 ( -2.532 8.756 -0.925) 9.161 18.235 ( 3.182 -8.321 -4.350) 9.914 18.600 ( 0.466 1.627 7.886) 8.066 ======================= Grid point 393 (191/337) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -19.358 0.000 3.694) 19.707 2.114 ( -22.532 0.000 4.955) 23.070 2.667 ( 5.657 -0.000 -0.806) 5.714 2.839 ( 12.055 -0.000 0.512) 12.066 3.107 ( 10.925 -0.000 -0.037) 10.926 3.299 ( 14.781 -0.000 -2.112) 14.931 3.770 ( -15.766 0.000 -0.430) 15.772 3.899 ( 0.303 -0.000 6.162) 6.169 4.401 ( 7.466 -0.000 -14.464) 16.278 4.421 ( -5.323 0.000 1.435) 5.512 4.992 ( 9.760 -0.000 0.270) 9.764 5.376 ( -3.008 0.000 -1.233) 3.251 5.469 ( -13.695 0.000 -4.489) 14.412 5.816 ( 1.321 -0.000 5.989) 6.133 7.559 ( -20.429 0.000 24.887) 32.198 7.675 ( 5.743 -0.000 -0.039) 5.743 7.972 ( 8.700 -0.000 -2.192) 8.972 8.313 ( -5.380 0.000 16.994) 17.825 8.828 ( -11.472 0.000 -7.872) 13.913 9.194 ( 5.052 -0.000 -4.925) 7.056 9.796 ( -20.723 0.000 -4.022) 21.109 10.845 ( -6.764 0.000 -2.919) 7.367 11.226 ( -10.500 0.000 6.998) 12.618 11.677 ( -0.083 0.000 9.622) 9.622 12.152 ( 4.714 -0.000 4.369) 6.427 12.237 ( 0.075 -0.000 5.577) 5.578 12.488 ( -5.697 0.000 9.469) 11.051 13.665 ( 22.742 -0.000 0.049) 22.742 14.469 ( -11.446 0.000 -16.730) 20.271 15.536 ( -2.911 0.000 8.268) 8.765 16.060 ( 10.346 -0.000 -0.610) 10.364 16.428 ( -7.875 0.000 -3.409) 8.581 16.792 ( 9.747 -0.000 -8.498) 12.931 17.978 ( 6.069 -0.000 -7.227) 9.437 18.046 ( -3.278 0.000 -0.843) 3.385 18.506 ( 2.760 -0.000 8.671) 9.099 ======================= Grid point 394 (192/337) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -23.217 4.648 6.650) 24.594 1.911 ( -23.427 -7.372 4.338) 24.940 2.709 ( 6.641 2.961 -3.342) 8.003 3.004 ( 8.653 -1.497 1.425) 8.897 3.181 ( -2.101 6.851 1.075) 7.246 3.351 ( -8.564 -11.646 -0.193) 14.457 3.677 ( 4.913 3.055 1.657) 6.018 3.865 ( -11.301 0.952 2.258) 11.563 4.350 ( 4.156 6.553 -4.125) 8.789 4.490 ( 11.786 -7.458 -2.557) 14.180 5.113 ( 9.612 1.489 -4.363) 10.660 5.237 ( -11.615 2.475 -0.034) 11.876 5.336 ( -3.139 -3.694 -0.836) 4.919 5.920 ( 4.379 -2.628 2.609) 5.734 7.534 ( -22.380 1.559 23.633) 32.585 7.745 ( 2.561 0.733 2.281) 3.507 8.076 ( 8.702 -1.825 -3.574) 9.583 8.461 ( -2.491 -3.674 15.120) 15.758 8.587 ( -10.592 -1.153 -5.428) 11.958 9.205 ( 5.464 3.787 -4.599) 8.084 9.514 ( -16.126 -4.031 -2.234) 16.772 10.725 ( -5.094 3.028 -1.825) 6.201 11.114 ( -12.748 0.050 3.031) 13.103 11.678 ( -7.716 4.434 4.883) 10.151 12.193 ( 0.370 7.891 -0.303) 7.906 12.316 ( 5.380 1.696 5.674) 8.001 12.619 ( 0.033 -11.953 6.552) 13.631 13.950 ( 18.924 4.603 0.070) 19.476 14.128 ( -13.757 -1.243 -8.425) 16.180 15.607 ( -2.641 -1.876 8.555) 9.148 16.178 ( 9.377 -0.175 -7.789) 12.191 16.293 ( -5.769 -0.402 1.384) 5.946 16.823 ( 9.526 0.251 -8.798) 12.970 17.908 ( 1.211 9.491 -2.974) 10.020 18.078 ( 2.110 -9.287 -3.396) 10.111 18.624 ( 0.486 0.825 8.758) 8.810 ======================= Grid point 395 (193/337) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -22.587 -2.020 9.159) 24.457 1.678 ( -23.131 -4.398 1.817) 23.616 2.741 ( 7.502 4.000 -3.924) 9.363 2.945 ( -27.487 -4.344 11.150) 29.979 3.163 ( -0.418 -4.067 6.561) 7.731 3.413 ( 7.960 -6.687 -7.108) 12.594 3.631 ( -9.496 5.808 -1.613) 11.247 3.825 ( 1.400 1.353 9.585) 9.781 4.284 ( 4.187 9.520 -6.804) 12.428 4.697 ( 8.840 -6.858 -2.942) 11.568 5.008 ( -3.885 2.932 -6.628) 8.223 5.243 ( 4.655 2.320 6.436) 8.275 5.385 ( 3.592 -5.990 1.532) 7.150 6.025 ( 4.950 -3.970 -1.044) 6.431 7.461 ( -21.730 2.826 20.100) 29.735 7.775 ( -0.952 1.173 2.282) 2.737 8.109 ( 4.689 4.442 -4.537) 7.893 8.498 ( -3.232 -4.300 1.658) 5.629 8.634 ( -2.023 -3.650 13.588) 14.214 9.158 ( 2.607 6.116 -3.342) 7.441 9.417 ( -7.386 -9.934 1.349) 12.452 10.602 ( -5.771 5.315 -0.435) 7.858 10.988 ( -10.496 -1.749 2.352) 10.897 11.503 ( -8.998 11.007 -3.462) 14.632 12.086 ( -4.278 2.182 -3.677) 6.049 12.431 ( 4.583 1.246 2.980) 5.607 12.719 ( -0.756 -11.789 -9.485) 15.150 13.937 ( -11.175 1.423 18.198) 21.402 14.177 ( 14.523 5.188 -2.175) 15.574 15.676 ( -2.122 -2.386 5.591) 6.439 16.078 ( -1.547 -2.515 -12.275) 12.625 16.379 ( 6.276 0.254 4.055) 7.477 16.860 ( 10.177 -0.425 -7.844) 12.856 17.795 ( -1.784 11.064 -0.518) 11.219 18.154 ( 3.217 -8.785 -4.333) 10.310 18.697 ( -1.401 2.089 7.127) 7.558 ======================= Grid point 404 (194/337) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -26.350 0.000 7.715) 27.457 1.635 ( -23.117 0.000 5.494) 23.761 2.773 ( 5.398 -0.000 -1.214) 5.533 2.936 ( -35.596 0.000 13.685) 38.136 3.091 ( 3.728 -0.000 -0.262) 3.737 3.356 ( 12.066 -0.000 -5.944) 13.451 3.692 ( -11.788 0.000 -2.667) 12.086 3.829 ( 4.433 -0.000 9.249) 10.257 4.419 ( 0.908 -0.000 -1.449) 1.710 4.588 ( 13.996 -0.000 -7.099) 15.694 5.032 ( -1.155 0.000 -8.809) 8.885 5.297 ( 1.309 -0.000 1.471) 1.969 5.301 ( 4.879 -0.000 7.156) 8.661 5.987 ( 4.615 -0.000 -0.119) 4.617 7.487 ( -23.564 0.000 22.399) 32.511 7.787 ( -0.071 0.000 0.525) 0.529 8.157 ( 9.687 -0.000 -4.312) 10.603 8.444 ( -4.884 0.000 2.452) 5.465 8.595 ( 0.673 -0.000 13.555) 13.572 9.266 ( 6.680 -0.000 -3.677) 7.625 9.280 ( -12.669 0.000 0.770) 12.693 10.657 ( -3.592 0.000 -2.340) 4.286 10.965 ( -12.488 0.000 2.603) 12.756 11.623 ( -10.541 0.000 4.548) 11.480 12.127 ( -7.885 0.000 -20.243) 21.725 12.393 ( 2.131 -0.000 2.189) 3.055 12.622 ( 3.479 -0.000 1.145) 3.662 13.950 ( -12.864 0.000 17.494) 21.714 14.228 ( 16.938 -0.000 -2.226) 17.084 15.651 ( -3.840 0.000 7.881) 8.767 16.056 ( -1.535 0.000 -13.420) 13.507 16.382 ( 6.435 -0.000 4.235) 7.704 16.856 ( 9.977 -0.000 -8.360) 13.017 17.981 ( -3.270 0.000 2.284) 3.989 17.989 ( 6.901 -0.000 -7.812) 10.424 18.718 ( -1.153 0.000 7.511) 7.599 ======================= Grid point 405 (195/337) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -22.207 -3.348 10.714) 24.883 1.375 ( -23.682 -2.857 6.390) 24.695 2.634 ( -35.252 0.738 19.428) 40.258 2.869 ( 6.241 -0.837 4.223) 7.582 3.107 ( -4.740 -4.714 -0.978) 6.756 3.438 ( 6.445 -0.137 -3.677) 7.421 3.534 ( 0.168 0.867 -6.506) 6.566 4.030 ( 1.378 2.189 18.663) 18.841 4.293 ( -1.229 6.661 -9.699) 11.829 4.628 ( -0.008 -3.956 -8.547) 9.418 4.980 ( 5.801 1.411 -6.195) 8.604 5.415 ( 9.570 -1.796 4.724) 10.823 5.485 ( 6.025 -0.479 10.536) 12.147 6.032 ( 3.204 -1.983 -3.233) 4.965 7.406 ( -20.575 1.584 18.223) 27.530 7.764 ( -1.737 0.436 -0.397) 1.835 8.205 ( 7.718 4.578 -4.243) 9.926 8.519 ( 0.647 -1.585 11.097) 11.229 8.771 ( 2.864 0.680 11.699) 12.064 9.170 ( -4.985 -0.205 3.092) 5.869 9.334 ( 4.172 -2.626 -1.532) 5.162 10.555 ( -5.569 5.279 -2.098) 7.955 10.860 ( -9.274 -5.678 1.302) 10.952 11.386 ( -16.396 15.842 -11.505) 25.538 11.711 ( -17.821 -18.664 -14.036) 29.376 12.434 ( 0.373 -0.360 0.407) 0.659 12.695 ( 3.352 1.690 3.534) 5.156 14.164 ( 0.657 1.721 30.558) 30.614 14.351 ( 10.876 2.594 -6.213) 12.791 15.674 ( -4.663 -1.725 5.033) 7.075 15.900 ( 0.150 -1.735 -12.943) 13.059 16.492 ( 5.471 0.267 -0.188) 5.481 16.928 ( 11.842 -0.591 -4.738) 12.768 17.872 ( -1.487 12.098 -0.675) 12.208 18.065 ( 2.373 -9.470 -4.424) 10.719 18.746 ( -3.817 1.631 3.883) 5.684 ======================= Grid point 415 (196/337) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -16.412 0.000 14.665) 22.010 1.188 ( -15.971 0.000 15.460) 22.228 2.423 ( -31.268 0.000 23.049) 38.845 2.971 ( -8.139 0.000 -2.808) 8.610 3.027 ( 6.757 -0.000 8.178) 10.608 3.477 ( 2.144 -0.000 2.158) 3.042 3.525 ( 11.237 -0.000 -11.244) 15.896 4.040 ( -11.570 0.000 -7.817) 13.963 4.419 ( 10.486 -0.000 16.976) 19.954 4.474 ( -5.430 0.000 -9.264) 10.738 4.998 ( 6.955 -0.000 -7.119) 9.953 5.585 ( 9.169 -0.000 3.204) 9.713 5.724 ( 6.090 -0.000 14.253) 15.500 6.005 ( 1.077 -0.000 -4.435) 4.564 7.349 ( -16.209 0.000 14.976) 22.068 7.765 ( 1.579 -0.000 1.223) 1.997 8.248 ( 3.814 -0.000 -4.888) 6.200 8.721 ( 3.165 -0.000 17.671) 17.952 8.935 ( 1.304 -0.000 5.783) 5.928 9.144 ( -4.841 0.000 4.948) 6.923 9.386 ( 6.135 -0.000 -2.031) 6.463 10.472 ( -26.913 0.000 -11.193) 29.148 10.509 ( -2.854 0.000 -3.007) 4.146 11.104 ( -13.172 0.000 5.132) 14.136 11.444 ( -8.675 0.000 4.010) 9.557 12.452 ( -0.182 0.000 1.213) 1.227 12.786 ( 0.952 -0.000 4.583) 4.680 14.339 ( 4.825 -0.000 -14.609) 15.385 14.632 ( 15.281 -0.000 25.863) 30.040 15.632 ( -6.832 0.000 3.010) 7.466 15.775 ( 3.388 -0.000 -11.809) 12.285 16.516 ( 3.081 -0.000 -5.756) 6.528 17.073 ( 13.520 -0.000 -0.381) 13.525 17.923 ( 0.377 -0.000 -9.892) 9.900 17.948 ( -5.021 0.000 4.719) 6.891 18.696 ( -8.113 0.000 0.875) 8.160 ======================= Grid point 416 (197/337) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 2.621 -0.000 9.689) 10.038 1.942 ( 8.512 -0.000 14.418) 16.743 2.543 ( 2.074 -0.000 -1.213) 2.402 2.772 ( -1.116 0.000 4.156) 4.303 3.315 ( -7.384 0.000 -5.361) 9.125 3.322 ( 8.757 -0.000 -9.878) 13.201 3.616 ( -1.731 0.000 6.731) 6.950 3.730 ( -5.293 0.000 -7.409) 9.106 4.002 ( -0.694 0.000 7.701) 7.732 4.580 ( -0.896 0.000 -6.224) 6.288 5.420 ( 3.465 -0.000 9.682) 10.283 5.567 ( -5.621 0.000 0.915) 5.695 6.041 ( 0.626 -0.000 0.421) 0.754 6.256 ( -1.616 0.000 5.445) 5.680 7.485 ( -4.487 0.000 5.977) 7.474 8.025 ( 10.961 -0.000 -0.225) 10.963 8.285 ( -9.299 0.000 9.183) 13.069 8.705 ( -12.364 0.000 12.308) 17.446 9.258 ( -1.230 0.000 -5.126) 5.272 9.397 ( -0.716 0.000 0.209) 0.745 9.614 ( -2.588 0.000 18.133) 18.317 10.442 ( 3.583 -0.000 2.190) 4.199 10.755 ( 16.910 -0.000 9.672) 19.481 11.276 ( -11.496 0.000 -2.745) 11.819 11.534 ( -0.178 0.000 15.851) 15.852 12.442 ( -8.078 0.000 -0.054) 8.078 12.905 ( -8.844 0.000 5.910) 10.637 13.596 ( 7.443 -0.000 -17.810) 19.303 15.217 ( -10.746 0.000 -2.202) 10.969 15.525 ( 11.052 -0.000 -8.923) 14.204 15.710 ( 13.245 -0.000 1.769) 13.363 16.131 ( -1.385 0.000 -10.235) 10.328 17.473 ( 9.462 -0.000 1.655) 9.606 17.513 ( -12.667 0.000 0.720) 12.688 18.086 ( -2.310 0.000 6.579) 6.973 18.513 ( -2.027 0.000 -2.186) 2.982 ======================= Grid point 417 (198/337) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 4.287 -2.115 4.534) 6.589 2.211 ( 11.173 0.406 8.273) 13.909 2.515 ( 1.207 1.203 -7.535) 7.725 2.860 ( 4.814 1.237 7.340) 8.865 3.216 ( -1.821 3.492 -0.903) 4.040 3.334 ( 5.250 -3.379 -2.908) 6.888 3.500 ( -10.020 2.754 -8.437) 13.385 3.668 ( 0.733 -5.248 -0.765) 5.354 4.141 ( 3.990 -0.079 8.955) 9.804 4.508 ( -0.546 -1.238 -6.085) 6.233 5.441 ( -5.499 8.763 6.717) 12.335 5.580 ( -5.689 -6.662 7.098) 11.275 6.003 ( -3.696 2.526 -1.542) 4.734 6.273 ( -0.523 2.203 1.666) 2.811 7.469 ( -7.359 -0.999 4.885) 8.889 8.140 ( 8.247 3.245 -1.301) 8.957 8.236 ( -14.057 0.239 12.278) 18.665 8.766 ( -2.268 3.989 17.005) 17.613 9.124 ( -5.584 0.046 -8.588) 10.244 9.355 ( -1.648 1.680 -3.016) 3.826 9.827 ( -1.058 -7.384 17.561) 19.079 10.565 ( 7.492 -4.406 1.173) 8.771 11.005 ( -6.706 5.179 -0.299) 8.479 11.086 ( 2.849 -4.153 1.853) 5.366 11.780 ( 6.776 -1.710 18.688) 19.952 12.285 ( -10.092 0.259 -4.476) 11.043 12.829 ( -10.450 1.245 5.388) 11.823 13.536 ( 8.993 2.732 -11.381) 14.760 15.009 ( -14.566 -1.191 -3.880) 15.121 15.589 ( 11.825 1.802 -5.640) 13.225 15.901 ( 11.849 2.818 -2.813) 12.500 16.022 ( 2.169 -5.585 -8.953) 10.773 17.317 ( -14.747 4.843 3.471) 15.906 17.601 ( 4.105 -2.885 0.454) 5.038 18.155 ( 1.453 0.013 6.931) 7.082 18.475 ( 1.173 1.011 -2.907) 3.294 ======================= Grid point 418 (199/337) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 3.091 -0.883 -1.053) 3.382 2.316 ( 5.664 -0.745 -13.247) 14.426 2.533 ( 5.263 -0.425 9.603) 10.959 3.023 ( 9.349 4.834 4.193) 11.330 3.121 ( -3.105 5.958 0.951) 6.786 3.257 ( -9.300 4.133 -2.974) 10.603 3.479 ( 5.229 -10.463 -0.256) 11.700 3.730 ( 5.084 -5.777 -2.642) 8.136 4.283 ( 3.461 0.325 5.934) 6.878 4.443 ( -0.969 -1.856 -5.458) 5.846 5.354 ( -8.570 8.798 9.116) 15.295 5.611 ( -9.284 -4.053 7.392) 12.541 5.869 ( -5.488 5.086 -4.418) 8.689 6.235 ( 0.855 4.963 -3.107) 5.918 7.430 ( -8.087 -3.426 4.519) 9.877 8.142 ( -5.920 4.040 6.181) 9.464 8.208 ( -5.617 0.690 5.512) 7.900 8.874 ( -1.745 4.504 5.023) 6.969 8.970 ( -5.537 0.405 2.830) 6.232 9.261 ( -2.838 3.718 -3.760) 6.001 10.094 ( -0.828 -12.689 14.948) 19.625 10.678 ( 0.628 4.056 -10.541) 11.312 10.758 ( -5.170 -2.624 2.374) 6.265 11.256 ( 2.571 -6.338 5.269) 8.634 12.059 ( -6.991 1.680 -1.306) 7.308 12.176 ( 8.593 -2.936 15.170) 17.680 12.738 ( -8.011 1.707 4.486) 9.338 13.511 ( 7.148 4.199 -7.876) 11.435 14.768 ( -15.662 -1.380 -3.708) 16.154 15.679 ( 9.642 1.626 -3.121) 10.264 15.865 ( 2.073 0.762 -6.565) 6.926 16.142 ( 13.477 -4.571 -6.390) 15.600 17.113 ( -14.875 5.111 4.312) 16.309 17.648 ( 0.051 -1.914 -0.446) 1.966 18.277 ( 4.305 0.041 6.693) 7.958 18.456 ( 2.884 2.093 -3.001) 4.658 ======================= Grid point 419 (200/337) ======================= q-point: (-0.70 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 0.782 -0.912 -3.011) 3.241 2.243 ( 0.824 -6.230 -11.949) 13.501 2.720 ( 4.653 0.569 5.962) 7.585 2.981 ( 0.700 8.364 0.755) 8.428 3.036 ( -1.950 7.112 -1.814) 7.594 3.312 ( 5.285 0.128 12.368) 13.450 3.582 ( 1.622 -12.751 -7.268) 14.766 3.848 ( 8.326 -1.515 -0.880) 8.508 4.282 ( -3.456 2.673 -3.307) 5.479 4.473 ( 2.680 -5.116 3.394) 6.699 5.263 ( -9.750 9.597 11.487) 17.864 5.558 ( -12.873 -1.536 5.066) 13.919 5.680 ( -3.530 6.715 -7.915) 10.963 6.154 ( 2.374 5.986 -5.304) 8.343 7.429 ( -6.014 -5.671 5.433) 9.892 8.061 ( -5.413 2.469 -2.455) 6.436 8.186 ( -11.001 0.506 12.655) 16.776 8.754 ( -6.098 -4.574 -8.125) 11.141 9.008 ( -2.550 8.973 10.482) 14.032 9.141 ( -5.113 4.369 0.316) 6.733 10.330 ( -4.744 -12.469 9.206) 16.209 10.401 ( -5.900 11.957 -4.356) 14.027 10.877 ( 7.330 -9.070 -3.618) 12.210 11.379 ( -1.424 -6.444 3.120) 7.300 11.895 ( -6.847 -2.756 -3.659) 8.238 12.441 ( -5.803 1.467 13.150) 14.448 12.792 ( 11.911 0.238 9.060) 14.967 13.473 ( 5.224 3.415 -7.312) 9.614 14.532 ( -16.170 -0.983 -0.954) 16.228 15.702 ( 1.281 -0.213 -3.964) 4.172 15.898 ( 10.543 0.222 -2.852) 10.924 16.264 ( 11.051 -2.559 -7.616) 13.664 16.928 ( -12.231 4.666 3.898) 13.659 17.640 ( -2.203 -2.030 -0.831) 3.109 18.376 ( 3.937 3.730 0.275) 5.430 18.477 ( 3.962 -0.137 2.836) 4.875 ======================= Grid point 420 (201/337) ======================= q-point: (-0.60 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -3.374 -2.699 1.219) 4.489 2.140 ( -5.378 -6.785 -12.163) 14.929 2.721 ( -3.156 6.371 3.063) 7.741 3.003 ( 3.105 3.083 5.453) 6.992 3.051 ( 10.021 3.480 1.019) 10.657 3.473 ( -1.770 -5.965 3.064) 6.935 3.648 ( 6.043 -4.909 -0.264) 7.790 3.905 ( 4.473 0.647 -7.073) 8.394 4.154 ( -8.285 4.159 2.541) 9.612 4.609 ( 3.994 -5.773 2.685) 7.516 5.173 ( -9.067 8.439 7.352) 14.404 5.396 ( -13.459 3.072 2.684) 14.064 5.525 ( 1.287 4.873 -6.456) 8.190 6.096 ( 3.671 5.031 -3.378) 7.085 7.486 ( -3.543 -6.801 5.882) 9.664 7.911 ( -5.686 -0.892 -8.072) 9.913 8.182 ( -13.209 1.139 16.204) 20.936 8.642 ( -5.997 -6.876 -5.532) 10.670 8.936 ( -2.081 7.824 -0.690) 8.125 9.078 ( -7.425 4.692 8.305) 12.088 10.134 ( -4.839 16.436 -1.700) 17.218 10.482 ( -4.551 -9.507 5.907) 12.082 11.019 ( 7.107 -12.369 -6.233) 15.568 11.335 ( -9.226 -0.252 -2.554) 9.577 11.917 ( 1.595 -10.579 2.221) 10.927 12.389 ( -10.349 2.609 7.050) 12.791 13.075 ( 11.089 6.456 3.801) 13.382 13.482 ( 10.006 -3.189 -2.393) 10.771 14.341 ( -16.277 -0.679 6.299) 17.467 15.678 ( 0.668 -2.131 -3.662) 4.290 16.021 ( 11.478 1.374 -2.772) 11.887 16.311 ( 5.714 -0.743 -6.589) 8.753 16.799 ( -5.989 3.556 2.358) 7.354 17.615 ( -3.349 -3.470 -0.828) 4.893 18.349 ( 3.218 6.263 -3.781) 7.992 18.595 ( 2.880 -1.463 6.105) 6.907 ======================= Grid point 421 (202/337) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -9.660 -2.146 4.354) 10.812 1.948 ( -11.371 -2.366 -6.108) 13.123 2.677 ( 0.104 6.076 2.874) 6.722 3.131 ( 6.079 2.839 -1.828) 6.954 3.151 ( 6.949 -1.656 5.880) 9.252 3.463 ( -6.003 -8.849 -3.558) 11.269 3.786 ( -2.727 3.739 -8.369) 9.563 3.821 ( 3.955 -1.219 10.278) 11.080 4.072 ( -6.276 2.660 4.830) 8.354 4.723 ( 4.095 -2.706 0.340) 4.920 4.974 ( -11.241 3.204 -6.361) 13.307 5.325 ( 2.014 5.430 4.309) 7.219 5.479 ( 0.379 3.490 3.566) 5.004 6.078 ( 3.528 4.206 -1.935) 5.821 7.559 ( -4.765 -7.018 3.881) 9.329 7.778 ( -2.138 -3.989 -7.263) 8.558 8.157 ( -13.912 2.116 14.252) 20.029 8.598 ( -4.013 -5.349 0.707) 6.724 8.861 ( -0.141 3.759 0.233) 3.769 9.023 ( -7.065 1.378 5.242) 8.905 9.920 ( -3.441 19.279 1.292) 19.626 10.540 ( -4.673 -6.501 3.672) 8.808 11.094 ( -5.508 -15.423 -10.370) 19.385 11.177 ( -1.382 3.689 -2.165) 4.495 12.079 ( 1.000 -8.932 3.508) 9.648 12.348 ( -4.114 -1.063 6.934) 8.132 12.966 ( -1.949 11.865 -12.887) 17.626 13.760 ( 16.558 -6.239 2.843) 17.921 14.275 ( -13.915 -1.579 18.247) 23.001 15.675 ( 1.497 -3.139 -3.995) 5.296 16.071 ( 5.687 4.519 -6.726) 9.900 16.322 ( 4.066 -0.732 -1.764) 4.492 16.761 ( 2.046 2.523 0.175) 3.253 17.599 ( -3.733 -5.905 -0.405) 6.997 18.283 ( 2.624 6.889 -4.301) 8.535 18.701 ( 0.449 -1.893 5.607) 5.935 ======================= Grid point 422 (203/337) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -11.694 1.806 -3.038) 12.217 1.832 ( -14.998 2.282 11.879) 19.268 2.671 ( 0.298 2.514 1.602) 2.996 3.095 ( -4.967 0.620 -0.372) 5.020 3.302 ( 10.011 1.264 -5.419) 11.453 3.430 ( -2.301 -4.010 -1.595) 4.891 3.605 ( -15.939 0.807 7.826) 17.775 3.992 ( -8.051 -3.573 2.662) 9.201 4.070 ( 11.691 1.039 8.028) 14.220 4.702 ( -6.414 3.837 -6.359) 9.813 4.808 ( 2.645 -3.558 -5.433) 7.012 5.388 ( 12.335 4.960 -3.260) 13.689 5.573 ( -0.402 0.981 15.993) 16.028 6.061 ( 2.119 3.853 -2.104) 4.875 7.538 ( -7.011 -6.778 -1.589) 9.880 7.770 ( 0.646 -3.916 -2.680) 4.789 8.118 ( -9.071 1.238 11.752) 14.897 8.643 ( -2.652 -2.425 8.632) 9.350 8.868 ( -0.548 0.591 4.611) 4.681 9.014 ( -0.991 -5.787 0.912) 5.942 9.727 ( -3.791 19.277 3.803) 20.011 10.546 ( -5.624 -2.457 1.508) 6.320 10.987 ( -11.886 -13.868 -2.138) 18.389 11.129 ( 3.853 4.250 -9.756) 11.317 12.115 ( -6.403 1.452 2.202) 6.925 12.438 ( 0.656 -2.980 1.781) 3.533 12.675 ( -3.396 6.206 -6.408) 9.545 13.975 ( 8.398 -6.753 -6.196) 12.431 14.430 ( -3.892 -1.869 26.353) 26.705 15.673 ( 2.723 -2.622 -6.398) 7.431 15.961 ( -2.228 6.231 -5.978) 8.918 16.385 ( 6.090 -0.610 -2.736) 6.705 16.809 ( 7.568 2.151 0.207) 7.871 17.614 ( -3.208 -8.464 0.194) 9.053 18.207 ( 1.695 6.348 -3.756) 7.568 18.761 ( -2.394 -2.243 3.841) 5.051 ======================= Grid point 423 (204/337) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -8.554 4.897 5.416) 11.247 1.715 ( -15.090 8.313 12.415) 21.235 2.657 ( -5.842 -1.569 2.676) 6.614 3.017 ( -6.611 -2.640 -1.216) 7.221 3.247 ( 0.233 3.385 -6.575) 7.399 3.422 ( 0.492 -0.635 -1.023) 1.300 3.579 ( -7.600 4.678 16.929) 19.137 3.888 ( -7.827 -8.250 -8.523) 14.211 4.387 ( 13.017 -1.660 13.728) 18.991 4.500 ( -8.035 0.578 -6.866) 10.584 4.826 ( 6.072 -0.139 -6.366) 8.799 5.502 ( 12.921 2.253 -1.689) 13.224 5.777 ( 1.907 -1.439 15.943) 16.121 6.021 ( 0.845 3.895 -1.818) 4.381 7.494 ( -5.260 -5.770 -1.147) 7.891 7.752 ( -0.981 -0.583 -1.758) 2.096 8.172 ( -1.542 -1.149 8.491) 8.706 8.751 ( -4.213 -6.188 11.301) 13.555 8.942 ( 0.234 -0.841 9.054) 9.096 9.119 ( 5.334 -8.230 0.049) 9.807 9.572 ( -4.247 16.982 7.269) 18.954 10.455 ( -9.857 -2.581 -1.503) 10.300 10.935 ( -0.722 6.912 -13.830) 15.478 11.025 ( -5.737 -6.200 7.865) 11.542 11.896 ( -12.287 12.981 -1.590) 17.944 12.423 ( -0.596 -1.980 0.829) 2.228 12.734 ( 2.158 -5.434 6.554) 8.783 14.003 ( 2.392 -7.845 -12.283) 14.770 14.727 ( 3.620 -0.977 21.954) 22.272 15.639 ( 5.588 0.922 -11.171) 12.524 15.806 ( -7.065 3.699 -1.356) 8.089 16.408 ( 4.593 0.419 -6.421) 7.906 16.932 ( 10.824 1.375 1.685) 11.040 17.660 ( -2.174 -9.353 -0.051) 9.602 18.136 ( -0.101 4.862 -1.789) 5.182 18.756 ( -5.401 -2.047 1.312) 5.923 ======================= Grid point 424 (205/337) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -2.087 5.153 12.776) 13.933 1.590 ( -10.310 9.910 12.574) 19.042 2.600 ( -10.908 -2.479 5.007) 12.256 2.905 ( -7.053 -1.196 -4.096) 8.243 3.220 ( 2.476 -3.258 -1.654) 4.414 3.448 ( 3.070 3.148 3.269) 5.479 3.640 ( -1.430 5.813 12.643) 13.988 3.738 ( -8.124 -6.993 -10.594) 15.071 4.293 ( -8.095 -0.224 -8.648) 11.848 4.693 ( 3.015 -0.522 6.925) 7.571 4.882 ( 12.893 -2.620 0.780) 13.180 5.629 ( 6.987 0.611 -0.283) 7.020 5.932 ( 2.408 -0.739 0.834) 2.653 6.046 ( 1.910 0.857 10.858) 11.058 7.466 ( -3.996 -2.644 1.102) 4.916 7.766 ( 3.854 -1.470 0.007) 4.125 8.244 ( -1.387 -0.325 5.932) 6.101 8.851 ( -9.870 -12.798 5.493) 17.070 9.092 ( 2.299 -0.789 12.130) 12.371 9.271 ( 6.473 -4.386 1.234) 7.916 9.484 ( -4.669 12.428 11.007) 17.245 10.344 ( -7.211 -2.348 2.195) 7.895 10.658 ( -0.898 19.236 -6.968) 20.479 11.155 ( -3.841 -10.514 10.408) 15.284 11.645 ( -9.026 10.726 2.514) 14.242 12.468 ( -0.377 -2.367 3.001) 3.841 12.866 ( -1.069 -3.997 6.981) 8.115 13.909 ( 1.004 -6.591 -19.043) 20.176 15.026 ( 8.343 -0.826 14.554) 16.796 15.562 ( 6.661 4.221 -12.398) 14.693 15.682 ( -8.139 -0.213 0.461) 8.155 16.361 ( 2.429 1.187 -8.781) 9.188 17.105 ( 11.823 0.070 2.268) 12.039 17.697 ( -2.264 -6.788 -1.884) 7.399 18.083 ( -2.895 2.686 2.104) 4.475 18.684 ( -7.387 -1.231 -0.567) 7.510 ======================= Grid point 425 (206/337) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -2.415 5.674 12.083) 13.566 1.681 ( 4.145 1.913 16.248) 16.877 2.543 ( -6.291 -0.937 4.099) 7.567 2.796 ( -5.564 -0.630 -0.271) 5.606 3.284 ( 8.211 -4.205 -7.560) 11.927 3.480 ( -2.420 1.264 -2.725) 3.858 3.583 ( -5.521 -0.387 1.304) 5.686 3.728 ( 2.263 2.993 8.038) 8.870 4.088 ( -9.674 -1.056 -6.201) 11.539 4.669 ( -0.492 1.569 -5.624) 5.859 5.185 ( 10.488 -4.555 10.228) 15.341 5.638 ( -1.760 2.060 -1.048) 2.905 5.990 ( 4.454 -0.800 0.572) 4.561 6.186 ( -0.390 -1.045 9.134) 9.201 7.467 ( -2.833 -0.610 4.559) 5.402 7.874 ( 8.506 -2.036 0.608) 8.767 8.279 ( -3.600 0.250 6.640) 7.557 8.801 ( -17.899 -7.264 5.376) 20.051 9.246 ( 1.808 -2.114 5.166) 5.867 9.373 ( 3.587 -0.304 0.202) 3.606 9.489 ( -4.466 6.159 16.483) 18.154 10.407 ( 2.378 -0.802 6.246) 6.731 10.494 ( 6.903 11.372 2.015) 13.455 11.311 ( -4.539 -10.293 9.117) 14.480 11.496 ( -6.354 9.678 5.130) 12.663 12.497 ( -3.467 -0.947 3.137) 4.770 12.925 ( -5.302 -1.854 6.477) 8.573 13.740 ( 3.086 -3.398 -21.819) 22.297 15.266 ( 6.292 0.553 5.300) 8.245 15.489 ( 4.047 -1.775 -8.780) 9.830 15.610 ( 0.904 2.427 -0.812) 2.714 16.261 ( 0.306 1.195 -9.937) 10.013 17.295 ( 11.208 -1.359 2.181) 11.499 17.654 ( -6.266 -1.602 -2.284) 6.859 18.064 ( -4.201 0.534 5.661) 7.070 18.585 ( -5.921 -0.578 -1.393) 6.110 ======================= Grid point 427 (207/337) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 335 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 4.546 -0.000 -0.369) 4.561 2.308 ( 3.849 -0.000 -16.146) 16.599 2.530 ( 5.624 -0.000 9.496) 11.037 3.061 ( 8.780 -0.000 9.705) 13.088 3.261 ( -4.699 0.000 -3.649) 5.950 3.270 ( 1.513 -0.000 -0.389) 1.562 3.333 ( -1.965 0.000 -7.371) 7.629 3.669 ( 2.741 -0.000 3.766) 4.658 4.287 ( 4.149 -0.000 6.210) 7.469 4.426 ( -0.164 0.000 -7.224) 7.226 5.456 ( -10.121 0.000 8.897) 13.475 5.552 ( -8.015 0.000 8.945) 12.010 5.915 ( -6.026 0.000 -3.830) 7.140 6.283 ( 1.371 -0.000 -3.197) 3.479 7.397 ( -8.980 0.000 4.257) 9.938 8.192 ( -16.000 0.000 16.949) 23.308 8.198 ( 3.135 -0.000 -6.283) 7.022 8.911 ( -7.816 0.000 -10.916) 13.426 8.975 ( -1.059 0.000 18.430) 18.460 9.304 ( -1.744 0.000 -3.678) 4.071 9.971 ( -0.783 0.000 15.764) 15.783 10.668 ( 10.879 -0.000 -3.113) 11.316 10.798 ( -10.627 0.000 -6.803) 12.618 11.182 ( -0.715 0.000 7.022) 7.059 12.081 ( -9.845 0.000 -6.778) 11.952 12.144 ( 12.336 -0.000 20.694) 24.092 12.752 ( -8.727 0.000 4.546) 9.840 13.549 ( 6.775 -0.000 -8.496) 10.867 14.755 ( -15.762 0.000 -3.032) 16.051 15.695 ( 10.248 -0.000 -4.702) 11.275 15.873 ( 0.614 -0.000 -7.993) 8.016 16.097 ( 14.894 -0.000 -4.078) 15.442 17.161 ( -15.492 0.000 3.216) 15.823 17.629 ( -0.114 0.000 0.939) 0.946 18.277 ( 4.196 -0.000 7.217) 8.348 18.475 ( 3.146 -0.000 -3.451) 4.670 ======================= Grid point 428 (208/337) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 2.922 1.045 -5.148) 6.011 2.149 ( -0.515 -3.577 -14.599) 15.040 2.730 ( 7.412 0.387 6.455) 9.836 3.136 ( -4.897 5.429 1.636) 7.492 3.151 ( 1.717 8.666 -6.209) 10.798 3.313 ( 2.107 -0.105 13.678) 13.840 3.355 ( 4.117 -12.131 -6.372) 14.308 3.814 ( 7.273 -1.789 4.879) 8.939 4.322 ( -1.357 1.596 -6.273) 6.614 4.399 ( 1.544 -2.692 3.246) 4.491 5.405 ( -11.108 5.674 12.491) 17.652 5.521 ( -12.022 -2.444 6.669) 13.963 5.766 ( -4.473 2.670 -6.981) 8.711 6.236 ( 3.256 2.710 -7.732) 8.816 7.350 ( -7.472 -2.628 6.036) 9.958 8.089 ( -4.829 0.792 -8.503) 9.810 8.185 ( -14.494 -0.285 17.496) 22.722 8.690 ( -7.775 -2.120 -10.025) 12.862 9.118 ( -5.547 2.997 15.460) 16.696 9.210 ( -4.115 2.855 -3.390) 6.048 10.152 ( -0.725 -5.918 12.205) 13.583 10.609 ( -0.549 8.284 -6.005) 10.247 10.769 ( 8.868 -2.777 -5.938) 11.028 11.247 ( -4.802 -6.442 7.113) 10.731 11.876 ( -8.510 -0.106 -6.419) 10.660 12.457 ( -3.952 0.434 14.722) 15.249 12.792 ( 10.709 -0.065 8.960) 13.963 13.517 ( 3.214 1.325 -8.177) 8.885 14.519 ( -15.943 -0.386 -0.275) 15.950 15.698 ( 1.501 -0.165 -7.216) 7.373 15.901 ( 10.654 0.105 -2.075) 10.855 16.232 ( 12.132 -0.978 -6.067) 13.600 16.989 ( -13.029 1.873 2.855) 13.469 17.615 ( -3.373 -0.771 0.321) 3.475 18.417 ( 4.455 1.002 6.261) 7.749 18.480 ( 3.710 0.333 -2.768) 4.641 ======================= Grid point 429 (209/337) ======================= q-point: (-0.70 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 1.345 -0.019 -4.716) 4.904 2.028 ( -2.175 -5.429 -11.945) 13.300 2.809 ( 0.913 3.529 0.604) 3.695 3.077 ( -1.503 4.195 4.047) 6.020 3.115 ( 4.815 3.878 1.797) 6.438 3.336 ( -3.494 -8.047 -3.309) 9.376 3.589 ( 8.402 -1.661 10.502) 13.552 3.915 ( 3.301 0.080 -4.550) 5.622 4.227 ( -3.132 3.583 0.571) 4.793 4.484 ( 0.713 -6.906 2.525) 7.387 5.307 ( -13.056 5.951 5.046) 15.210 5.435 ( -13.886 1.268 11.671) 18.184 5.613 ( 2.186 4.439 -10.019) 11.174 6.175 ( 4.833 3.455 -7.112) 9.267 7.379 ( -4.419 -4.758 7.108) 9.628 7.890 ( -7.335 -1.178 -10.694) 13.021 8.195 ( -14.133 0.372 18.229) 23.069 8.525 ( -6.428 -5.434 -7.204) 11.079 9.057 ( -4.460 5.244 -3.193) 7.589 9.137 ( -12.678 1.932 11.277) 17.077 10.299 ( -1.637 -4.331 7.487) 8.803 10.484 ( 2.909 15.463 -1.346) 15.792 10.837 ( 7.144 -7.447 -8.728) 13.516 11.300 ( -6.401 -5.274 3.409) 8.967 11.758 ( -2.739 -5.931 -2.033) 6.842 12.424 ( -11.289 1.313 6.689) 13.187 13.153 ( 17.315 2.566 10.614) 20.471 13.445 ( 2.527 -1.102 -7.143) 7.656 14.332 ( -15.963 -0.398 5.667) 16.943 15.645 ( 1.947 -1.438 -6.744) 7.165 16.040 ( 11.488 0.794 -0.774) 11.542 16.299 ( 7.321 -0.495 -6.738) 9.962 16.854 ( -7.354 2.355 1.992) 7.975 17.565 ( -5.551 -2.037 -0.126) 5.914 18.443 ( 3.275 4.137 -3.516) 6.341 18.572 ( 2.876 -1.188 6.205) 6.941 ======================= Grid point 430 (210/337) ======================= q-point: (-0.60 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -1.587 -0.790 -2.852) 3.358 1.905 ( -5.062 -2.134 -5.082) 7.483 2.779 ( -0.441 4.394 1.351) 4.618 3.129 ( 1.627 0.316 8.030) 8.199 3.138 ( -0.863 -3.652 -4.838) 6.123 3.347 ( 1.095 -2.348 0.671) 2.677 3.746 ( -6.398 -1.265 -0.182) 6.524 3.878 ( 9.251 0.968 -0.008) 9.302 4.162 ( -6.846 6.851 6.078) 11.434 4.604 ( 2.487 -9.286 1.162) 9.683 5.051 ( -15.291 4.498 -5.051) 16.720 5.422 ( -5.122 4.791 12.949) 14.726 5.542 ( 5.146 3.628 -4.910) 7.984 6.147 ( 4.602 3.197 -4.650) 7.281 7.450 ( -3.547 -4.923 5.458) 8.162 7.707 ( -4.373 -3.810 -9.011) 10.716 8.190 ( -14.419 1.606 16.139) 21.702 8.468 ( -2.476 -7.737 -1.464) 8.254 8.933 ( -3.070 3.542 -1.721) 4.994 9.030 ( -16.523 -0.529 7.334) 18.085 10.289 ( 1.462 19.957 0.797) 20.027 10.433 ( -2.866 -3.745 4.613) 6.597 10.872 ( 0.175 -9.050 -9.544) 13.154 11.247 ( -1.770 2.848 -0.332) 3.370 11.868 ( 2.492 -13.446 2.948) 13.989 12.345 ( -8.534 0.258 5.935) 10.398 13.151 ( -1.795 8.884 -11.763) 14.850 13.656 ( 16.063 -5.336 4.477) 17.508 14.249 ( -14.378 -1.332 17.013) 22.315 15.625 ( 3.456 -2.395 -6.557) 7.789 16.145 ( 7.890 3.625 -4.047) 9.580 16.307 ( 3.638 -1.012 -3.262) 4.990 16.805 ( 1.152 2.198 0.409) 2.515 17.506 ( -7.046 -4.468 0.119) 8.345 18.392 ( 2.411 5.197 -4.699) 7.410 18.674 ( 0.292 -1.093 5.953) 6.060 ======================= Grid point 431 (211/337) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -3.068 3.038 -4.657) 6.351 1.860 ( -8.614 1.056 9.767) 13.066 2.741 ( -3.871 4.620 3.120) 6.787 3.054 ( -6.742 -5.573 -5.484) 10.324 3.284 ( 5.530 -3.895 3.591) 7.658 3.393 ( 2.975 1.005 1.089) 3.324 3.575 ( -9.139 -1.809 -5.786) 10.966 4.041 ( -9.982 5.133 3.469) 11.748 4.084 ( 8.619 1.775 11.406) 14.406 4.697 ( -2.996 -6.749 -6.383) 9.761 4.773 ( -6.154 2.645 -1.803) 6.937 5.478 ( 10.492 4.549 -3.593) 11.987 5.587 ( -2.312 0.699 13.054) 13.276 6.125 ( 2.755 3.119 -3.546) 5.467 7.444 ( -5.116 -3.543 -1.170) 6.332 7.681 ( 1.434 -5.851 -1.867) 6.307 8.150 ( -12.631 2.231 14.064) 19.035 8.553 ( 0.036 -6.885 6.011) 9.139 8.884 ( -0.640 0.394 0.892) 1.167 8.900 ( -14.778 -6.192 4.534) 16.652 10.101 ( -1.738 21.063 0.424) 21.139 10.492 ( -3.342 -3.548 4.318) 6.511 10.783 ( -7.606 -6.668 -4.824) 11.206 11.237 ( 7.998 6.119 -3.801) 10.764 12.041 ( -0.877 -9.532 4.274) 10.483 12.353 ( -2.502 -4.535 5.947) 7.886 12.847 ( -6.687 10.965 -12.998) 18.273 13.854 ( 5.276 -6.633 -5.479) 10.092 14.396 ( -3.591 -1.917 26.627) 26.936 15.626 ( 4.814 -2.566 -7.291) 9.105 16.072 ( -0.932 6.100 -6.557) 9.004 16.372 ( 6.629 -0.869 -1.902) 6.951 16.848 ( 7.697 2.239 -0.280) 8.021 17.466 ( -7.403 -7.829 1.311) 10.855 18.314 ( 1.502 5.504 -5.166) 7.696 18.729 ( -2.683 -1.296 4.532) 5.424 ======================= Grid point 432 (212/337) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -1.908 7.468 3.467) 8.452 1.840 ( -10.237 5.452 13.721) 17.966 2.654 ( -11.467 1.156 5.079) 12.595 2.951 ( -6.402 -4.368 -4.571) 8.997 3.291 ( -1.570 0.432 -7.073) 7.258 3.460 ( 9.234 5.220 -3.069) 11.042 3.515 ( -5.582 -10.414 4.680) 12.709 3.883 ( -10.591 6.520 4.978) 13.396 4.353 ( 7.749 -2.417 14.400) 16.530 4.488 ( -8.022 -1.393 -10.086) 12.962 4.809 ( 4.263 -1.729 -2.340) 5.161 5.549 ( 13.411 2.730 -6.470) 15.138 5.737 ( -2.469 -3.093 15.560) 16.056 6.085 ( 0.948 3.200 -2.468) 4.151 7.409 ( -2.513 -3.471 -0.605) 4.327 7.721 ( 0.391 -2.951 -1.316) 3.255 8.158 ( -7.362 -0.246 13.186) 15.104 8.634 ( -10.927 -6.382 8.230) 15.095 8.928 ( 0.117 -1.409 6.654) 6.803 8.934 ( 2.841 -11.676 3.893) 12.631 9.904 ( -3.183 18.295 2.143) 18.693 10.433 ( -8.519 0.977 -0.659) 8.600 10.788 ( -2.213 -8.466 5.407) 10.286 11.221 ( 9.140 13.326 -6.021) 17.244 12.053 ( -8.277 2.932 0.792) 8.817 12.399 ( -3.114 -1.287 -0.464) 3.401 12.645 ( -1.207 -2.385 2.571) 3.709 13.850 ( -1.789 -8.993 -9.794) 13.417 14.701 ( 2.947 -1.826 22.446) 22.712 15.631 ( 6.367 -1.565 -8.601) 10.815 15.904 ( -4.540 6.739 -5.875) 10.027 16.418 ( 5.462 0.722 -5.121) 7.522 16.959 ( 10.345 1.715 0.686) 10.508 17.480 ( -5.732 -10.478 2.734) 12.252 18.224 ( 0.370 4.825 -4.697) 6.744 18.724 ( -5.525 -1.416 2.386) 6.183 ======================= Grid point 433 (213/337) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.140 8.379 10.506) 13.439 1.789 ( -8.293 11.179 12.872) 18.959 2.555 ( -14.152 -2.495 8.551) 16.722 2.844 ( -6.410 -4.460 -5.518) 9.562 3.213 ( 1.403 1.036 -3.505) 3.915 3.505 ( 8.294 3.476 -4.523) 10.066 3.543 ( -4.399 -10.729 -4.827) 12.560 3.804 ( -5.188 9.147 13.218) 16.890 4.266 ( -11.175 -2.965 -7.961) 14.038 4.663 ( 7.177 -3.002 11.950) 14.260 4.842 ( 6.901 -1.679 -4.898) 8.627 5.641 ( 9.438 0.642 -3.333) 10.030 5.888 ( -1.079 -4.627 7.234) 8.655 6.067 ( 0.873 1.585 2.923) 3.438 7.417 ( -1.709 -2.445 2.161) 3.683 7.740 ( 2.204 -1.538 -0.237) 2.698 8.225 ( -4.827 -1.812 10.156) 11.389 8.615 ( -15.626 -12.671 7.490) 21.466 9.044 ( 2.087 -5.160 5.349) 7.719 9.182 ( 8.158 -4.861 8.830) 12.967 9.750 ( -3.222 15.631 5.359) 16.835 10.326 ( -4.807 1.820 3.448) 6.189 10.915 ( 1.612 -3.503 3.499) 5.207 11.107 ( 3.186 17.239 -1.753) 17.618 11.831 ( -11.156 9.670 0.597) 14.776 12.412 ( -0.880 -3.708 3.355) 5.077 12.764 ( -1.173 -7.324 7.236) 10.363 13.759 ( -2.306 -9.817 -15.449) 18.449 14.996 ( 5.920 -2.500 15.346) 16.637 15.634 ( 9.033 1.019 -9.675) 13.275 15.705 ( -7.869 5.266 -4.505) 10.486 16.391 ( 3.483 2.225 -7.843) 8.865 17.102 ( 8.756 -0.538 1.933) 8.983 17.547 ( -2.336 -9.390 2.366) 9.961 18.139 ( -1.473 3.369 -2.375) 4.377 18.661 ( -7.351 -1.184 0.334) 7.454 ======================= Grid point 434 (214/337) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -3.764 10.680 11.880) 16.412 1.747 ( 3.668 6.354 12.453) 14.454 2.515 ( -8.851 -2.204 8.212) 12.273 2.756 ( -3.461 -3.944 -3.483) 6.298 3.227 ( 3.617 -1.226 -1.168) 3.993 3.426 ( -3.834 -6.712 -11.907) 14.196 3.606 ( 7.486 2.431 1.244) 7.969 3.830 ( -2.133 7.782 10.186) 12.995 4.052 ( -11.325 -2.816 -5.367) 12.845 4.715 ( -0.476 3.228 -3.862) 5.056 5.056 ( 8.952 -9.069 7.451) 14.762 5.685 ( 1.731 2.495 -0.639) 3.103 5.955 ( 1.429 -3.619 0.312) 3.904 6.149 ( -0.126 -2.731 6.818) 7.346 7.451 ( -1.937 -1.013 5.327) 5.758 7.822 ( 6.397 -3.312 0.614) 7.229 8.273 ( -6.071 -1.406 8.841) 10.816 8.602 ( -16.704 -13.156 8.938) 23.065 9.172 ( 1.580 -6.167 2.740) 6.931 9.367 ( 4.464 -0.350 2.659) 5.208 9.682 ( -1.696 14.338 12.766) 19.272 10.393 ( 4.192 0.073 9.849) 10.704 10.820 ( 6.340 21.796 -6.080) 23.500 11.141 ( -4.726 -7.352 10.368) 13.560 11.657 ( -7.177 8.346 4.506) 11.894 12.464 ( -2.945 -2.736 3.577) 5.381 12.860 ( -5.170 -5.463 6.930) 10.227 13.630 ( 1.315 -8.582 -19.154) 21.030 15.251 ( 8.891 -3.068 6.839) 11.629 15.493 ( -9.408 3.129 -4.810) 11.020 15.655 ( 10.390 2.312 -6.953) 12.714 16.302 ( 1.591 3.340 -9.457) 10.155 17.244 ( 4.124 -4.543 3.257) 6.946 17.607 ( 0.346 -3.287 -0.575) 3.354 18.081 ( -3.429 1.364 2.410) 4.408 18.569 ( -6.348 -1.084 -1.008) 6.518 ======================= Grid point 435 (215/337) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 1.413 7.280 8.408) 11.211 1.951 ( 8.002 0.916 12.923) 15.227 2.526 ( -0.673 -1.515 1.321) 2.120 2.754 ( 0.648 -2.629 1.657) 3.175 3.284 ( -0.573 -1.520 -0.106) 1.628 3.296 ( 0.542 -3.296 -8.871) 9.479 3.676 ( 4.187 5.201 -0.104) 6.678 3.729 ( -7.889 -0.370 -7.616) 10.972 4.005 ( -1.029 0.918 10.157) 10.250 4.610 ( -1.359 3.111 -5.986) 6.881 5.303 ( 2.010 -9.877 7.173) 12.371 5.644 ( -3.291 5.599 2.809) 7.076 6.006 ( 0.158 -4.133 -0.381) 4.153 6.229 ( -1.483 -3.003 4.581) 5.674 7.487 ( -3.974 0.266 6.522) 7.642 7.978 ( 9.643 -4.692 0.358) 10.729 8.279 ( -10.500 -1.301 9.584) 14.275 8.624 ( -10.662 -8.063 13.150) 18.751 9.224 ( -1.125 -3.893 -3.293) 5.222 9.389 ( -0.307 -0.383 -1.878) 1.941 9.728 ( -0.932 12.093 17.577) 21.356 10.527 ( 3.112 7.196 4.537) 9.058 10.808 ( 15.584 7.198 4.927) 17.859 11.195 ( -9.897 -6.791 2.436) 12.247 11.607 ( -1.739 6.391 11.428) 13.209 12.431 ( -7.865 -1.139 0.212) 7.950 12.877 ( -8.617 -3.201 6.114) 11.040 13.542 ( 6.936 -5.889 -16.734) 19.047 15.253 ( -11.423 3.577 -3.496) 12.470 15.462 ( 9.899 -5.547 -3.258) 11.805 15.740 ( 13.285 2.092 -2.631) 13.704 16.168 ( 0.185 4.058 -10.102) 10.889 17.350 ( -4.914 -8.791 4.264) 10.936 17.597 ( 2.385 4.495 -1.929) 5.442 18.085 ( -2.251 -0.054 6.157) 6.556 18.500 ( -2.494 -1.333 -2.048) 3.492 ======================= Grid point 438 (216/337) ======================= q-point: ( 0.20 -0.80 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 2.996 -0.000 -8.322) 8.845 1.972 ( -0.766 0.000 -10.654) 10.681 2.843 ( 2.958 -0.000 -0.870) 3.084 3.117 ( -4.025 0.000 2.560) 4.770 3.170 ( -4.120 0.000 -1.459) 4.370 3.240 ( 4.490 -0.000 0.784) 4.557 3.579 ( 8.113 -0.000 12.865) 15.210 3.912 ( 2.932 -0.000 -3.421) 4.505 4.263 ( 0.387 -0.000 0.561) 0.682 4.413 ( -2.537 0.000 1.797) 3.109 5.363 ( -15.184 0.000 0.657) 15.198 5.444 ( -12.502 0.000 17.435) 21.454 5.657 ( 1.740 -0.000 -10.207) 10.354 6.207 ( 5.166 -0.000 -8.907) 10.297 7.335 ( -4.542 0.000 7.844) 9.065 7.878 ( -7.802 0.000 -11.671) 14.039 8.198 ( -14.558 0.000 19.226) 24.116 8.474 ( -6.643 0.000 -7.747) 10.205 9.105 ( -5.955 0.000 -4.332) 7.364 9.152 ( -14.514 0.000 12.108) 18.901 10.248 ( 0.115 -0.000 9.305) 9.306 10.671 ( 9.373 -0.000 -3.688) 10.073 10.770 ( 7.102 -0.000 -10.803) 12.928 11.210 ( -8.941 0.000 9.547) 13.080 11.713 ( -4.673 0.000 -5.041) 6.873 12.436 ( -11.576 0.000 6.556) 13.303 13.174 ( 20.187 -0.000 13.807) 24.457 13.437 ( -0.811 0.000 -9.545) 9.580 14.328 ( -15.863 0.000 5.437) 16.769 15.632 ( 2.386 -0.000 -7.734) 8.094 16.047 ( 11.425 -0.000 -0.019) 11.425 16.295 ( 7.892 -0.000 -6.777) 10.402 16.876 ( -7.753 0.000 1.685) 7.934 17.547 ( -6.270 0.000 -0.002) 6.270 18.484 ( 3.246 -0.000 -4.362) 5.438 18.557 ( 2.867 -0.000 7.321) 7.862 ======================= Grid point 440 (217/337) ======================= q-point: (-0.70 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 3.964 -0.003 -6.907) 7.964 1.879 ( -0.656 -0.784 -5.047) 5.149 2.822 ( 0.402 0.947 -2.750) 2.936 3.049 ( -4.785 -3.945 -5.467) 8.268 3.153 ( -6.068 1.353 10.124) 11.881 3.353 ( 5.836 1.026 4.157) 7.239 3.769 ( -2.452 3.645 -1.246) 4.566 3.848 ( 4.038 -3.897 2.141) 6.006 4.291 ( -2.447 7.528 4.105) 8.917 4.436 ( 0.673 -9.054 2.520) 9.422 5.111 ( -16.613 1.908 -4.272) 17.260 5.478 ( -11.746 1.513 18.903) 22.307 5.596 ( 8.878 1.937 -11.377) 14.560 6.185 ( 5.191 1.060 -6.834) 8.647 7.393 ( -1.661 -1.539 7.626) 7.955 7.654 ( -6.249 -1.777 -10.512) 12.358 8.212 ( -14.369 0.787 17.907) 22.973 8.362 ( -2.121 -3.480 -2.695) 4.886 8.975 ( -5.629 1.219 -2.595) 6.318 9.017 ( -20.914 -0.598 7.638) 22.273 10.347 ( -0.464 -1.822 6.977) 7.226 10.596 ( 0.716 6.287 -13.523) 14.930 10.831 ( 9.934 6.126 0.273) 11.674 11.227 ( -6.328 -5.116 7.394) 10.995 11.675 ( 1.916 -6.138 -1.492) 6.601 12.349 ( -10.008 0.124 5.273) 11.313 13.269 ( -3.131 3.922 -11.157) 12.234 13.581 ( 17.436 -2.690 5.707) 18.542 14.232 ( -14.741 -0.511 16.337) 22.011 15.595 ( 4.430 -0.904 -7.789) 9.007 16.194 ( 10.114 1.711 -0.623) 10.276 16.289 ( 2.428 -0.777 -5.820) 6.354 16.833 ( 0.771 0.881 0.275) 1.203 17.450 ( -8.678 -1.684 -0.080) 8.840 18.458 ( 2.156 2.028 -5.081) 5.880 18.661 ( 0.126 -0.428 6.638) 6.653 ======================= Grid point 441 (218/337) ======================= q-point: (-0.60 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 2.776 3.715 -3.935) 6.082 1.872 ( -1.382 0.186 4.295) 4.516 2.802 ( -2.220 1.454 1.112) 2.877 2.938 ( -7.021 -5.756 -5.997) 10.880 3.203 ( -4.177 -3.809 8.923) 10.563 3.419 ( -1.546 0.605 0.607) 1.767 3.606 ( 0.304 5.091 -7.137) 8.772 4.027 ( 1.875 -3.668 7.195) 8.291 4.198 ( -4.896 7.045 5.383) 10.128 4.566 ( 2.807 -6.875 -1.572) 7.591 4.824 ( -13.613 2.458 -2.598) 14.075 5.527 ( -1.705 0.906 7.404) 7.651 5.607 ( 5.214 1.630 -0.897) 5.536 6.166 ( 3.237 1.477 -5.052) 6.179 7.421 ( -2.705 1.042 -0.386) 2.924 7.573 ( 0.543 -6.139 -0.810) 6.216 8.191 ( -14.317 2.144 15.782) 21.416 8.430 ( 3.722 -6.159 4.344) 8.406 8.801 ( -21.703 -3.908 4.247) 22.458 8.893 ( -4.084 0.016 1.103) 4.231 10.359 ( -4.064 5.892 -12.701) 14.579 10.431 ( -1.221 -2.923 5.669) 6.494 10.841 ( 0.424 14.241 5.567) 15.297 11.303 ( 7.077 -0.272 0.757) 7.123 11.820 ( 2.980 -13.101 3.205) 13.813 12.300 ( -6.934 -1.702 6.040) 9.352 13.017 ( -5.895 7.524 -13.100) 16.216 13.752 ( 3.032 -4.583 -5.649) 7.881 14.367 ( -3.572 -1.193 26.961) 27.222 15.588 ( 6.119 -1.633 -8.321) 10.457 16.167 ( -0.972 4.324 -6.038) 7.490 16.353 ( 8.047 -1.152 -1.234) 8.222 16.884 ( 8.275 1.608 -0.823) 8.469 17.351 ( -10.096 -4.877 0.935) 11.251 18.393 ( 0.903 3.184 -5.887) 6.753 18.714 ( -2.973 -0.478 5.324) 6.116 ======================= Grid point 442 (219/337) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 2.560 7.220 2.685) 8.117 1.910 ( -4.254 2.718 11.045) 12.144 2.692 ( -12.432 2.783 2.161) 12.922 2.863 ( -5.859 -5.225 -2.689) 8.298 3.271 ( -0.603 -4.353 -1.782) 4.742 3.332 ( -7.008 -6.738 -2.072) 9.940 3.580 ( 8.811 7.646 -2.297) 11.890 4.000 ( -7.739 4.564 4.369) 9.990 4.300 ( -0.831 -2.856 12.630) 12.976 4.475 ( -2.582 0.262 -10.220) 10.544 4.771 ( 0.755 -2.369 2.624) 3.615 5.578 ( 8.640 -0.339 -6.096) 10.580 5.684 ( -2.582 -1.771 10.514) 10.970 6.131 ( 1.219 1.941 -3.486) 4.172 7.377 ( -0.546 -0.252 -1.092) 1.247 7.654 ( 1.575 -4.275 1.302) 4.738 8.160 ( -13.909 0.272 15.676) 20.959 8.543 ( -13.683 -3.518 6.706) 15.639 8.722 ( 3.901 -10.882 3.657) 12.125 8.905 ( -1.366 -1.563 7.635) 7.912 10.116 ( -4.302 4.825 -10.455) 12.292 10.484 ( -2.313 1.185 4.977) 5.615 10.782 ( -3.034 11.602 10.731) 16.093 11.412 ( 14.193 7.547 -2.963) 16.345 11.986 ( -2.274 -9.353 4.517) 10.633 12.332 ( -3.525 -5.162 5.301) 8.196 12.713 ( -6.676 8.225 -8.919) 13.848 13.697 ( -5.613 -7.943 -8.180) 12.709 14.669 ( 1.758 -1.634 23.251) 23.375 15.597 ( 7.390 -1.909 -9.072) 11.856 16.020 ( -3.432 5.878 -6.207) 9.212 16.431 ( 6.884 0.690 -3.980) 7.981 16.993 ( 10.023 2.119 -0.382) 10.252 17.306 ( -7.352 -8.854 2.873) 11.862 18.298 ( -0.276 3.363 -6.180) 7.041 18.708 ( -5.753 -0.481 3.420) 6.710 ======================= Grid point 443 (220/337) ======================= q-point: (-0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 1.320 8.641 7.607) 11.588 1.949 ( -5.578 6.370 14.162) 16.500 2.529 ( -13.263 0.287 4.491) 14.005 2.771 ( -7.669 -3.832 -3.196) 9.149 3.230 ( 1.633 0.847 -3.924) 4.334 3.330 ( -3.643 -11.448 -5.723) 13.307 3.605 ( 8.101 6.036 -2.646) 10.444 3.955 ( -3.316 6.401 9.520) 11.942 4.205 ( -13.443 -2.468 -3.991) 14.238 4.599 ( 9.397 -3.938 8.200) 13.079 4.816 ( 2.409 -1.492 -2.523) 3.794 5.637 ( 8.969 -1.998 -6.394) 11.195 5.787 ( -3.705 -5.239 8.753) 10.853 6.099 ( 0.774 1.880 -0.774) 2.176 7.386 ( 0.045 -1.172 1.728) 2.089 7.707 ( 1.303 -2.165 0.446) 2.565 8.173 ( -12.207 -4.375 14.453) 19.418 8.440 ( -16.053 -6.342 7.396) 18.778 8.912 ( 3.610 -8.745 1.002) 9.514 9.118 ( 8.654 -2.548 14.849) 17.375 9.944 ( -0.424 5.159 -5.232) 7.360 10.455 ( -2.602 11.008 7.629) 13.644 10.830 ( -2.628 -0.385 11.875) 12.169 11.454 ( 13.545 17.515 -5.386) 22.787 11.956 ( -10.191 3.101 -0.152) 10.653 12.351 ( -3.026 -2.879 2.903) 5.087 12.631 ( -2.119 -6.232 5.181) 8.377 13.578 ( -6.300 -10.333 -12.136) 17.139 14.946 ( 2.483 -2.831 16.940) 17.354 15.615 ( 7.457 -1.849 -8.931) 11.781 15.834 ( -3.792 7.640 -6.820) 10.920 16.435 ( 5.111 2.592 -7.005) 9.050 17.082 ( 1.560 -1.725 2.512) 3.423 17.390 ( 3.725 -7.768 2.435) 8.952 18.194 ( -1.538 2.675 -5.004) 5.879 18.647 ( -7.522 -0.425 1.327) 7.649 ======================= Grid point 444 (221/337) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 1.239 6.020 9.735) 11.513 1.949 ( -4.243 11.230 11.007) 16.287 2.461 ( -9.139 -3.625 8.222) 12.817 2.685 ( -2.622 -3.348 -4.229) 5.998 3.229 ( 1.752 0.672 0.803) 2.041 3.286 ( -2.011 -8.212 -9.732) 12.892 3.660 ( 9.420 3.653 -1.052) 10.159 3.933 ( -7.310 -0.569 -4.539) 8.624 4.039 ( -6.719 5.419 8.423) 12.060 4.768 ( -0.154 2.499 -1.061) 2.719 4.887 ( 7.639 -9.701 3.487) 12.830 5.705 ( 5.463 -1.339 -2.471) 6.144 5.854 ( -3.750 -6.592 2.756) 8.070 6.116 ( 0.728 -0.698 2.646) 2.831 7.431 ( -0.524 -1.339 4.754) 4.966 7.763 ( 3.312 -3.415 0.416) 4.776 8.211 ( -12.455 -6.372 12.560) 18.802 8.405 ( -12.631 -7.245 10.704) 18.072 9.038 ( 1.638 -8.520 1.510) 8.807 9.362 ( 5.842 -0.233 4.339) 7.281 9.924 ( 5.675 10.549 7.334) 14.046 10.458 ( 1.681 8.569 11.878) 14.742 10.939 ( -3.326 -4.753 8.309) 10.134 11.324 ( 5.679 23.871 -6.376) 25.352 11.785 ( -8.022 6.048 3.644) 10.687 12.403 ( -2.248 -4.021 4.316) 6.313 12.736 ( -4.857 -8.261 7.416) 12.118 13.452 ( -1.754 -11.093 -15.687) 19.293 15.173 ( 3.626 -4.953 9.755) 11.526 15.565 ( -6.257 3.303 -5.846) 9.177 15.702 ( 9.601 3.721 -8.467) 13.331 16.373 ( 3.798 4.394 -9.064) 10.765 17.139 ( -5.016 -6.879 5.393) 10.078 17.551 ( 9.944 -2.820 -0.879) 10.374 18.107 ( -2.906 1.447 -0.978) 3.391 18.552 ( -7.147 -0.675 -0.426) 7.192 ======================= Grid point 445 (222/337) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -1.291 10.363 6.023) 12.055 1.971 ( 6.600 1.437 9.570) 11.713 2.496 ( -4.458 -2.257 6.642) 8.312 2.679 ( 2.900 -4.967 -2.357) 6.216 3.213 ( -2.314 -5.076 -7.777) 9.571 3.287 ( 2.448 0.628 5.120) 5.710 3.708 ( -11.512 -1.994 -8.002) 14.161 3.756 ( 11.935 3.598 -5.878) 13.782 4.064 ( -2.138 6.028 12.368) 13.924 4.675 ( -1.996 3.749 -5.600) 7.028 5.113 ( 2.493 -11.297 5.525) 12.821 5.729 ( -1.206 3.527 2.746) 4.630 5.889 ( -1.526 -8.947 -1.769) 9.247 6.167 ( -1.264 -3.361 2.943) 4.643 7.490 ( -2.228 -0.266 6.534) 6.908 7.878 ( 6.581 -6.291 0.452) 9.115 8.222 ( -13.951 -5.315 12.153) 19.250 8.473 ( -7.316 -7.472 14.078) 17.537 9.124 ( -0.285 -7.121 -1.339) 7.251 9.391 ( 0.966 0.551 -4.367) 4.507 10.005 ( 3.232 17.928 15.867) 24.158 10.621 ( 6.673 4.013 11.773) 14.115 10.958 ( -1.516 1.478 -0.729) 2.239 11.161 ( -0.889 10.080 1.320) 10.205 11.726 ( -1.912 6.972 8.576) 11.217 12.403 ( -6.941 -1.920 1.053) 7.278 12.793 ( -8.028 -6.280 6.675) 12.184 13.399 ( 5.594 -10.038 -14.309) 18.352 15.290 ( -9.679 -2.528 -3.284) 10.529 15.403 ( 5.691 2.112 0.303) 6.078 15.762 ( 11.464 0.311 -5.558) 12.744 16.263 ( 3.533 6.280 -10.198) 12.487 17.186 ( -9.301 -9.517 6.636) 14.870 17.656 ( 8.902 2.172 -4.613) 10.258 18.085 ( -2.093 0.128 5.004) 5.425 18.472 ( -3.887 -1.714 -1.753) 4.596 ======================= Grid point 446 (223/337) ======================= q-point: (-0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 1.777 5.311 2.501) 6.134 2.196 ( 12.167 -1.122 5.579) 13.432 2.492 ( -1.839 -0.812 -1.183) 2.332 2.809 ( 6.964 -4.554 4.650) 9.532 3.145 ( -3.232 -3.868 -3.964) 6.413 3.374 ( -2.774 -1.851 4.780) 5.828 3.481 ( -3.870 2.820 -6.682) 8.220 3.783 ( 8.481 6.732 -7.958) 13.438 4.155 ( 1.392 1.877 10.519) 10.776 4.548 ( -2.208 2.986 -5.663) 6.772 5.267 ( -3.778 -10.686 6.348) 12.991 5.684 ( -6.240 5.078 5.810) 9.923 5.912 ( -2.743 -7.781 -3.123) 8.821 6.205 ( -1.398 -4.871 0.960) 5.157 7.499 ( -5.774 1.992 5.456) 8.190 8.045 ( 6.321 -7.202 0.909) 9.626 8.210 ( -12.893 -2.883 12.289) 18.043 8.654 ( -1.773 -7.647 16.248) 18.045 9.103 ( -3.840 -2.814 -5.768) 7.479 9.325 ( -1.925 -1.023 -5.157) 5.599 10.053 ( 0.140 17.120 16.550) 23.812 10.699 ( 5.647 9.448 0.024) 11.007 10.907 ( -13.728 -5.422 0.857) 14.785 11.164 ( 8.891 5.134 2.965) 10.687 11.836 ( 5.490 4.345 15.998) 17.463 12.279 ( -9.481 -0.211 -3.593) 10.142 12.784 ( -9.637 -3.826 5.541) 11.757 13.445 ( 8.843 -7.405 -9.974) 15.248 15.043 ( -14.317 2.201 -5.247) 15.406 15.543 ( 10.572 -2.628 -1.715) 11.028 15.855 ( 7.515 -2.279 -4.175) 8.894 16.148 ( 6.854 7.945 -9.751) 14.324 17.188 ( -13.276 -8.756 6.034) 17.010 17.666 ( 4.075 3.634 -3.288) 6.373 18.155 ( 1.833 0.037 6.902) 7.142 18.442 ( 0.293 -2.577 -2.609) 3.679 ======================= Grid point 450 (224/337) ======================= q-point: ( 0.30 -0.70 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 335 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.402 -0.000 0.384) 0.556 1.863 ( 6.704 -0.000 -2.455) 7.140 2.802 ( -0.185 0.000 -0.832) 0.852 2.889 ( -7.268 0.000 -4.602) 8.603 3.170 ( -9.262 0.000 10.418) 13.940 3.420 ( -3.381 0.000 -1.754) 3.809 3.676 ( 3.969 -0.000 -5.706) 6.951 3.976 ( -0.318 0.000 9.374) 9.379 4.273 ( -5.321 0.000 0.896) 5.396 4.493 ( 5.823 -0.000 2.165) 6.212 4.847 ( -15.548 0.000 -2.593) 15.763 5.530 ( -8.211 0.000 12.699) 15.122 5.626 ( 9.552 -0.000 -7.454) 12.116 6.178 ( 3.527 -0.000 -5.671) 6.679 7.474 ( -2.778 0.000 -7.752) 8.235 7.475 ( 1.113 -0.000 7.431) 7.514 8.214 ( -15.648 0.000 17.166) 23.228 8.367 ( 5.429 -0.000 3.129) 6.266 8.766 ( -24.008 0.000 4.855) 24.494 8.892 ( -4.717 0.000 0.309) 4.727 10.390 ( -4.732 0.000 -16.661) 17.320 10.403 ( -0.849 0.000 6.017) 6.077 11.119 ( 17.671 -0.000 2.321) 17.823 11.190 ( -9.742 0.000 12.195) 15.609 11.686 ( 5.859 -0.000 -0.682) 5.898 12.286 ( -8.240 0.000 5.896) 10.132 13.088 ( -5.277 0.000 -12.637) 13.695 13.708 ( 2.134 -0.000 -5.948) 6.319 14.356 ( -3.592 0.000 27.111) 27.347 15.573 ( 6.543 -0.000 -8.714) 10.897 16.210 ( -2.068 0.000 -5.898) 6.250 16.340 ( 9.658 -0.000 -0.781) 9.689 16.899 ( 8.783 -0.000 -1.033) 8.843 17.306 ( -11.228 0.000 0.564) 11.242 18.422 ( 0.636 -0.000 -6.211) 6.244 18.710 ( -3.113 0.000 5.750) 6.539 ======================= Grid point 452 (225/337) ======================= q-point: (-0.60 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 1.955 3.255 4.642) 5.998 1.942 ( 2.867 0.999 4.031) 5.047 2.732 ( -9.473 1.308 -1.628) 9.700 2.791 ( -6.162 -2.370 2.085) 6.924 3.158 ( -7.137 -4.381 4.730) 9.618 3.295 ( -2.050 -0.545 -8.052) 8.327 3.708 ( 6.148 5.574 -1.056) 8.366 4.003 ( -7.912 -2.810 3.972) 9.288 4.287 ( 0.511 0.776 7.583) 7.640 4.488 ( -0.387 0.730 -9.543) 9.578 4.736 ( -4.048 -1.233 7.247) 8.392 5.546 ( -3.026 -1.771 2.770) 4.468 5.681 ( 5.882 0.412 -1.308) 6.039 6.154 ( 1.514 0.663 -3.905) 4.241 7.387 ( 0.171 0.855 -3.584) 3.689 7.588 ( 2.003 -2.454 5.253) 6.134 8.163 ( -19.505 0.001 16.246) 25.384 8.513 ( -15.016 0.006 5.755) 16.080 8.576 ( 6.816 -5.152 5.613) 10.223 8.881 ( -1.386 -0.861 6.522) 6.723 10.145 ( -4.190 0.121 -14.366) 14.965 10.467 ( -0.436 -1.162 6.004) 6.131 11.101 ( -4.857 18.609 12.693) 23.043 11.444 ( 15.454 -5.383 1.848) 16.469 11.806 ( 3.617 -7.179 2.935) 8.558 12.266 ( -6.385 -1.943 6.908) 9.606 12.844 ( -5.892 4.743 -12.707) 14.788 13.587 ( -8.682 -3.730 -7.233) 11.900 14.648 ( 0.966 -0.638 23.773) 23.802 15.572 ( 8.059 -0.804 -9.697) 12.634 16.096 ( -3.409 2.320 -5.628) 6.977 16.440 ( 8.140 0.279 -3.229) 8.762 17.034 ( 12.423 2.232 -1.296) 12.688 17.180 ( -10.400 -4.778 2.387) 11.691 18.339 ( -0.870 1.166 -6.936) 7.087 18.704 ( -5.963 -0.041 4.138) 7.258 ======================= Grid point 453 (226/337) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 1.735 6.030 5.516) 8.355 2.011 ( -2.921 1.090 10.960) 11.395 2.570 ( -9.956 3.674 0.812) 10.643 2.708 ( -10.648 -3.099 1.184) 11.153 3.157 ( -2.383 -7.428 -3.319) 8.478 3.242 ( 3.022 0.396 -3.720) 4.809 3.705 ( 4.988 4.903 -3.238) 7.708 3.962 ( -8.200 -4.274 2.823) 9.668 4.257 ( -5.687 7.571 1.948) 9.667 4.521 ( 7.511 -5.289 2.717) 9.580 4.792 ( 0.233 -0.989 2.529) 2.725 5.557 ( -0.432 -5.428 -1.606) 5.677 5.744 ( 3.465 -0.367 1.023) 3.631 6.127 ( 0.626 1.222 -1.539) 2.062 7.371 ( 0.905 -0.573 -0.794) 1.333 7.670 ( 0.681 -1.754 2.139) 2.849 8.083 ( -20.621 -4.736 16.448) 26.799 8.389 ( -12.490 -0.384 8.039) 14.859 8.771 ( 4.575 -6.325 1.338) 7.920 9.084 ( 9.649 -1.376 15.608) 18.401 9.979 ( 1.274 0.331 -9.169) 9.263 10.548 ( 0.800 -0.091 6.761) 6.808 11.012 ( -6.844 17.875 14.704) 24.137 11.679 ( 18.499 6.505 -1.769) 19.689 11.913 ( -4.719 -6.107 3.720) 8.567 12.294 ( -5.116 -3.840 5.774) 8.617 12.605 ( -4.658 3.171 -5.718) 8.028 13.409 ( -10.673 -8.126 -9.283) 16.313 14.904 ( -0.124 -1.777 18.248) 18.335 15.585 ( 8.731 -1.365 -10.129) 13.442 15.948 ( -3.777 4.803 -6.057) 8.603 16.476 ( 6.485 1.832 -6.376) 9.277 17.047 ( -8.264 -1.995 4.313) 9.533 17.286 ( 13.727 -3.877 -0.498) 14.273 18.229 ( -2.032 1.345 -6.397) 6.846 18.644 ( -7.826 0.072 2.118) 8.108 ======================= Grid point 454 (227/337) ======================= q-point: (-0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -1.036 4.494 5.219) 6.965 2.098 ( -2.864 4.898 14.135) 15.231 2.427 ( -7.644 1.090 0.706) 7.753 2.634 ( -4.438 -2.886 -0.272) 5.301 3.150 ( 1.208 -6.014 -6.835) 9.184 3.245 ( -0.624 0.463 1.645) 1.819 3.723 ( 7.865 2.808 -2.416) 8.694 3.867 ( -10.098 -4.236 -4.976) 12.028 4.190 ( -1.149 9.446 7.918) 12.379 4.717 ( 5.974 -9.406 1.712) 11.274 4.802 ( -0.002 1.294 0.030) 1.294 5.600 ( 0.528 -8.741 -2.107) 9.007 5.796 ( 0.887 -0.532 1.621) 1.923 6.118 ( 0.149 0.673 0.438) 0.817 7.400 ( 0.769 -2.154 1.719) 2.862 7.700 ( -0.495 -3.634 0.272) 3.677 8.074 ( -16.961 -7.211 17.078) 25.126 8.351 ( -9.284 -0.256 10.665) 14.142 8.890 ( 2.216 -7.691 1.312) 8.111 9.359 ( 7.240 -0.086 5.559) 9.128 10.024 ( 12.218 2.077 4.703) 13.255 10.633 ( 1.814 5.838 9.103) 10.965 10.945 ( -8.705 9.376 13.893) 18.887 11.707 ( 4.706 15.686 -9.951) 19.163 11.872 ( -2.540 5.330 4.874) 7.656 12.328 ( -2.434 -4.171 5.139) 7.052 12.588 ( -4.247 -7.538 5.531) 10.268 13.251 ( -6.139 -11.285 -12.201) 17.717 15.093 ( -1.126 -3.854 12.348) 12.984 15.589 ( 5.297 0.039 -9.036) 10.474 15.789 ( -0.481 5.223 -6.588) 8.421 16.447 ( 5.660 3.683 -8.788) 11.083 17.021 ( -9.897 -5.934 6.854) 13.421 17.509 ( 16.362 -1.955 -2.539) 16.673 18.129 ( -2.699 0.915 -3.170) 4.263 18.546 ( -8.103 -0.125 0.121) 8.105 ======================= Grid point 455 (228/337) ======================= q-point: (-0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 3.301 1.107 4.884) 5.997 2.105 ( -1.845 11.249 6.437) 13.091 2.428 ( -2.545 -5.199 7.739) 9.664 2.616 ( 1.341 -2.040 -2.664) 3.614 3.131 ( -0.344 -3.832 -5.758) 6.925 3.272 ( -2.170 -2.901 4.782) 5.999 3.681 ( -9.041 -0.230 -5.878) 10.786 3.809 ( 12.943 2.331 -4.840) 14.014 4.196 ( -1.390 8.127 8.929) 12.154 4.722 ( -1.944 0.592 -5.935) 6.273 4.922 ( 2.810 -9.273 4.776) 10.803 5.671 ( 0.451 -10.900 -2.305) 11.150 5.806 ( -2.310 1.430 2.328) 3.578 6.122 ( -1.813 -1.619 1.120) 2.677 7.465 ( 0.418 -2.684 3.948) 4.792 7.758 ( 2.253 -7.164 0.259) 7.514 8.111 ( -15.133 -6.086 16.834) 23.440 8.387 ( -6.673 -2.470 13.192) 14.988 8.990 ( 1.307 -7.437 -0.336) 7.559 9.404 ( 2.222 0.874 -5.378) 5.884 10.291 ( 13.128 12.075 14.546) 23.016 10.722 ( 3.860 7.916 13.316) 15.965 10.908 ( -10.658 -1.567 6.980) 12.837 11.437 ( -3.355 14.563 -8.458) 17.172 11.869 ( 1.482 10.112 7.103) 12.446 12.370 ( -4.185 -1.633 2.521) 5.152 12.659 ( -7.312 -8.544 7.094) 13.297 13.197 ( 3.402 -12.506 -11.635) 17.417 15.203 ( -4.932 -5.348 3.869) 8.239 15.492 ( 0.334 5.802 -4.640) 7.437 15.757 ( 7.518 -0.668 -5.911) 9.587 16.374 ( 6.171 5.854 -10.409) 13.443 17.027 ( -10.884 -8.015 7.822) 15.617 17.677 ( 13.716 0.357 -6.706) 15.271 18.090 ( -1.648 0.346 3.575) 3.952 18.444 ( -5.942 -1.339 -1.486) 6.269 ======================= Grid point 456 (229/337) ======================= q-point: (-0.20 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -0.581 6.490 0.073) 6.517 2.184 ( 11.616 0.393 3.826) 12.236 2.490 ( -3.317 0.219 4.604) 5.678 2.716 ( 8.932 -5.133 2.695) 10.648 3.087 ( -2.456 -2.833 -2.896) 4.738 3.280 ( -11.828 -7.372 0.740) 13.957 3.560 ( 3.272 4.515 -0.763) 5.628 3.889 ( 14.270 5.101 -10.205) 18.270 4.216 ( -2.134 4.887 10.010) 11.342 4.600 ( -3.587 2.431 -5.405) 6.928 5.074 ( -2.022 -10.651 5.282) 12.059 5.735 ( -0.787 -11.642 -4.699) 12.579 5.762 ( -5.971 3.825 4.497) 8.397 6.122 ( -3.260 -4.287 0.561) 5.415 7.520 ( -2.210 -0.128 4.427) 4.949 7.894 ( 5.202 -9.516 0.938) 10.885 8.144 ( -13.808 -4.089 15.936) 21.479 8.524 ( -2.762 -6.489 15.421) 16.957 9.031 ( -0.704 -4.791 -3.597) 6.032 9.323 ( -1.316 0.668 -7.798) 7.936 10.399 ( 1.479 21.095 14.988) 25.920 10.792 ( -12.366 -2.601 -2.610) 12.903 10.887 ( 2.758 6.209 10.033) 12.117 11.273 ( 4.791 6.732 -1.335) 8.369 11.932 ( 3.399 6.527 12.461) 14.472 12.289 ( -6.673 1.826 -1.818) 7.153 12.693 ( -8.323 -6.513 5.826) 12.067 13.283 ( 8.869 -10.669 -7.946) 15.988 15.070 ( -13.084 0.551 -5.386) 14.160 15.518 ( 7.659 0.177 1.187) 7.753 15.814 ( 6.022 -2.574 -4.317) 7.844 16.288 ( 8.389 7.571 -11.074) 15.822 17.031 ( -12.519 -8.535 7.541) 16.925 17.718 ( 6.589 2.275 -7.073) 9.931 18.158 ( 2.235 0.330 6.917) 7.276 18.390 ( -1.492 -3.217 -2.237) 4.193 ======================= Grid point 457 (230/337) ======================= q-point: (-0.10 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 0.532 3.547 -1.450) 3.869 2.332 ( 8.690 1.132 -7.373) 11.452 2.546 ( 4.531 0.877 9.146) 10.244 2.910 ( 5.997 -6.367 -0.565) 8.764 3.061 ( -4.979 -2.030 1.481) 5.577 3.165 ( -6.588 -6.348 1.393) 9.254 3.631 ( 6.014 5.851 4.558) 9.549 3.851 ( 9.947 7.897 -13.584) 18.597 4.281 ( -0.316 0.162 6.194) 6.204 4.488 ( -1.719 2.932 -2.360) 4.138 5.179 ( -6.927 -10.399 8.045) 14.861 5.674 ( -9.199 2.805 4.228) 10.506 5.742 ( -3.878 -8.761 -5.126) 10.866 6.130 ( -1.119 -6.278 -1.895) 6.652 7.499 ( -5.326 3.681 4.273) 7.758 8.044 ( 0.285 -7.320 2.938) 7.893 8.173 ( -9.500 -2.873 11.899) 15.495 8.755 ( 0.295 -8.468 14.374) 16.686 8.963 ( -4.525 -0.456 -5.604) 7.217 9.207 ( -3.924 -1.938 -5.877) 7.328 10.370 ( -2.156 16.963 12.510) 21.187 10.567 ( -15.621 -5.023 -6.407) 17.616 10.897 ( 4.282 10.548 0.967) 11.425 11.356 ( 5.637 4.367 4.400) 8.379 12.041 ( -6.376 -0.113 1.939) 6.665 12.241 ( 6.089 4.511 11.617) 13.870 12.690 ( -5.940 -3.684 4.443) 8.282 13.407 ( 8.415 -7.312 -6.408) 12.858 14.798 ( -15.338 1.779 -4.974) 16.222 15.649 ( 7.771 -1.527 0.260) 7.924 15.847 ( 4.106 -1.281 -4.797) 6.443 16.241 ( 11.502 6.232 -9.715) 16.294 16.999 ( -13.591 -7.164 6.001) 16.495 17.688 ( 1.365 2.418 -3.379) 4.374 18.272 ( 3.988 -0.646 4.713) 6.208 18.408 ( 2.483 -2.980 -1.007) 4.008 ======================= Grid point 462 (231/337) ======================= q-point: ( 0.40 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 1.645 -0.000 9.291) 9.436 2.004 ( -1.169 0.000 3.020) 3.238 2.617 ( -8.904 0.000 2.139) 9.157 2.673 ( -12.353 0.000 1.871) 12.493 3.087 ( -0.990 0.000 -2.344) 2.544 3.245 ( 3.899 -0.000 -3.728) 5.394 3.758 ( 3.125 -0.000 -5.811) 6.598 3.905 ( -10.770 0.000 5.447) 12.069 4.399 ( 0.958 -0.000 -4.774) 4.869 4.406 ( 3.109 -0.000 6.628) 7.321 4.784 ( -0.070 0.000 4.795) 4.796 5.502 ( -3.487 0.000 0.104) 3.488 5.744 ( 5.763 -0.000 -1.894) 6.066 6.139 ( 0.539 -0.000 -1.602) 1.691 7.366 ( 1.147 -0.000 -2.428) 2.685 7.653 ( 0.424 -0.000 3.062) 3.091 8.037 ( -23.164 0.000 17.047) 28.761 8.391 ( -11.607 0.000 8.653) 14.478 8.712 ( 4.827 -0.000 1.477) 5.048 9.071 ( 10.253 -0.000 15.710) 18.760 9.980 ( 1.790 -0.000 -9.818) 9.980 10.539 ( 1.035 -0.000 7.093) 7.168 11.237 ( -10.263 0.000 14.771) 17.987 11.669 ( 14.943 -0.000 2.104) 15.091 11.870 ( 5.964 -0.000 2.721) 6.555 12.251 ( -6.619 0.000 7.737) 10.182 12.654 ( -4.261 0.000 -11.610) 12.367 13.327 ( -13.423 0.000 -7.582) 15.416 14.888 ( -1.066 0.000 18.720) 18.751 15.572 ( 9.265 -0.000 -10.555) 14.045 15.993 ( -3.946 0.000 -5.625) 6.871 16.494 ( 6.963 -0.000 -6.100) 9.257 17.026 ( -12.576 0.000 5.258) 13.630 17.253 ( 18.311 -0.000 -2.177) 18.440 18.241 ( -2.258 0.000 -6.843) 7.206 18.646 ( -7.984 0.000 2.418) 8.342 ======================= Grid point 464 (232/337) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -3.040 1.319 2.927) 4.421 2.135 ( 1.334 0.513 11.061) 11.153 2.493 ( -8.339 4.973 0.409) 9.717 2.574 ( -6.570 -3.981 1.992) 7.936 3.082 ( 4.569 -1.735 -5.186) 7.126 3.247 ( -4.145 -0.118 1.774) 4.510 3.738 ( 8.868 -0.692 -8.896) 12.580 3.826 ( -10.738 -0.367 4.550) 11.668 4.353 ( 1.622 8.541 2.270) 8.985 4.554 ( 3.272 -8.583 1.651) 9.333 4.819 ( 0.363 0.651 1.511) 1.684 5.475 ( -2.170 -4.157 -0.955) 4.786 5.795 ( 3.812 0.097 -0.548) 3.853 6.130 ( -0.481 0.425 -0.068) 0.645 7.367 ( 1.469 -1.198 -1.183) 2.234 7.647 ( -3.780 -1.813 0.090) 4.193 7.988 ( -16.668 -2.378 19.958) 26.112 8.361 ( -9.288 0.678 10.815) 14.272 8.788 ( 2.941 -3.281 1.283) 4.589 9.358 ( 8.104 -0.013 6.285) 10.256 10.039 ( 13.946 0.167 4.446) 14.639 10.653 ( 1.921 -0.565 8.534) 8.766 11.191 ( -11.065 12.019 13.571) 21.238 11.760 ( -5.774 -3.827 -2.162) 7.257 12.044 ( 16.384 8.498 2.893) 18.682 12.261 ( -5.734 -3.189 7.219) 9.755 12.508 ( -2.522 -1.296 -4.154) 5.029 13.083 ( -11.674 -6.192 -8.520) 15.723 15.045 ( -3.604 -1.440 13.727) 14.265 15.585 ( 9.480 -0.250 -10.127) 13.874 15.859 ( -4.301 2.235 -5.849) 7.596 16.493 ( 6.352 1.402 -8.504) 10.707 16.946 ( -11.152 -2.265 7.217) 13.475 17.484 ( 19.199 -0.763 -3.783) 19.583 18.139 ( -2.596 0.286 -4.179) 4.928 18.545 ( -8.792 0.036 0.438) 8.803 ======================= Grid point 465 (233/337) ======================= q-point: (-0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 2.119 0.934 3.380) 4.097 2.279 ( 1.165 4.839 11.236) 12.289 2.360 ( -2.330 1.396 -0.834) 2.842 2.578 ( -0.219 -3.151 0.269) 3.170 3.088 ( -0.009 -0.760 -3.536) 3.617 3.193 ( -7.264 -5.226 1.369) 9.053 3.707 ( -5.823 2.760 -1.333) 6.580 3.828 ( 11.710 -0.371 -3.612) 12.260 4.336 ( 0.372 7.559 4.175) 8.643 4.651 ( 0.319 -7.807 -3.488) 8.557 4.838 ( 0.714 -0.728 2.310) 2.525 5.493 ( -0.573 -7.895 -2.355) 8.258 5.829 ( 0.157 0.874 2.140) 2.317 6.106 ( -2.969 -0.342 -0.138) 2.992 7.407 ( 2.296 -3.177 0.521) 3.954 7.640 ( -1.437 -5.530 0.603) 5.745 8.034 ( -14.189 -2.555 19.924) 24.593 8.369 ( -7.931 0.001 12.286) 14.624 8.878 ( 3.056 -4.838 0.473) 5.741 9.418 ( 3.078 0.613 -5.731) 6.534 10.411 ( 20.476 2.859 16.077) 26.190 10.775 ( -1.390 -1.261 9.300) 9.487 11.052 ( -10.979 14.531 10.431) 20.988 11.582 ( -10.624 2.095 -7.037) 12.914 12.091 ( 1.547 13.111 4.452) 13.932 12.359 ( 4.839 0.825 4.104) 6.398 12.510 ( -5.934 -7.320 4.785) 10.568 12.968 ( -1.139 -12.710 -8.876) 15.545 15.125 ( -5.980 -3.256 7.314) 9.993 15.580 ( 5.062 3.722 -7.235) 9.583 15.744 ( 0.283 -0.620 -5.018) 5.065 16.458 ( 7.344 3.350 -10.258) 13.053 16.915 ( -10.717 -4.418 7.895) 14.025 17.675 ( 16.758 -0.321 -8.126) 18.627 18.096 ( -0.909 0.305 2.497) 2.674 18.426 ( -7.917 -0.714 -1.320) 8.058 ======================= Grid point 466 (234/337) ======================= q-point: (-0.30 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 4.462 3.294 1.018) 5.639 2.244 ( 4.653 6.996 1.387) 8.515 2.478 ( 0.128 -1.876 7.856) 8.078 2.649 ( 8.624 -2.669 1.054) 9.089 3.026 ( -5.793 -4.832 -1.766) 7.748 3.155 ( -9.503 -5.307 -0.008) 10.885 3.627 ( 1.870 3.147 -0.940) 3.779 3.954 ( 13.787 1.783 -5.723) 15.034 4.314 ( -2.248 5.872 4.682) 7.839 4.613 ( -3.165 -1.462 -5.036) 6.125 4.916 ( -0.558 -6.490 4.185) 7.742 5.533 ( 0.641 -10.113 -5.145) 11.365 5.821 ( -4.831 2.778 4.185) 6.969 6.057 ( -5.299 -2.990 -0.357) 6.095 7.487 ( 2.141 -3.286 1.984) 4.395 7.727 ( 3.554 -8.706 0.827) 9.440 8.084 ( -14.483 -2.303 19.567) 24.453 8.436 ( -5.471 -3.323 13.820) 15.231 8.951 ( 2.467 -3.903 -1.854) 4.975 9.340 ( -0.429 1.016 -9.373) 9.437 10.739 ( -17.883 -2.182 2.074) 18.135 10.754 ( 8.740 16.852 14.127) 23.663 11.001 ( 5.199 6.920 11.391) 14.306 11.368 ( -3.638 2.986 -4.825) 6.740 12.058 ( -2.607 7.249 8.567) 11.521 12.367 ( 0.171 7.752 -0.024) 7.754 12.558 ( -6.610 -8.483 5.898) 12.265 13.073 ( 9.462 -12.985 -5.760) 17.068 15.061 ( -11.041 -1.231 -2.512) 11.390 15.550 ( 3.542 3.132 0.757) 4.789 15.762 ( 5.052 -3.343 -4.077) 7.302 16.405 ( 9.000 5.427 -11.697) 15.725 16.901 ( -11.412 -5.877 7.786) 15.013 17.747 ( 10.025 0.985 -10.179) 14.321 18.168 ( 2.677 0.812 7.042) 7.577 18.334 ( -4.030 -2.975 -1.987) 5.389 ======================= Grid point 467 (235/337) ======================= q-point: (-0.20 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -0.832 7.662 -0.399) 7.717 2.358 ( 10.730 1.876 -2.551) 11.188 2.558 ( 3.420 0.333 7.373) 8.134 2.826 ( 6.252 -2.837 0.382) 6.876 2.993 ( -15.274 -8.382 -1.940) 17.530 3.065 ( 4.025 -2.373 4.038) 6.176 3.685 ( 6.836 0.952 1.820) 7.138 3.992 ( 11.846 6.771 -13.613) 19.274 4.289 ( -5.428 1.078 5.500) 7.802 4.530 ( -1.974 1.306 -1.028) 2.580 5.009 ( -4.271 -8.230 6.286) 11.202 5.560 ( 0.505 -10.062 -7.782) 12.730 5.734 ( -10.541 3.056 3.681) 11.576 6.027 ( -3.753 -5.293 -0.050) 6.489 7.540 ( -0.649 0.645 2.936) 3.076 7.887 ( 5.414 -9.731 0.425) 11.144 8.124 ( -13.983 -2.283 18.299) 23.143 8.599 ( -2.090 -8.411 14.275) 16.700 8.954 ( -0.181 -0.491 -4.623) 4.652 9.193 ( -3.883 0.093 -9.098) 9.892 10.462 ( -20.231 -2.616 -4.169) 20.821 10.721 ( -4.868 17.502 8.493) 20.054 11.095 ( 4.987 11.106 2.500) 12.429 11.404 ( 6.211 1.306 5.606) 8.468 12.058 ( -5.515 2.049 4.381) 7.336 12.335 ( 1.266 5.692 7.431) 9.446 12.610 ( -1.984 -5.080 4.755) 7.235 13.261 ( 11.218 -8.849 -4.619) 15.016 14.826 ( -14.750 1.280 -5.545) 15.810 15.629 ( 4.066 -0.688 3.642) 5.502 15.818 ( 6.169 -1.942 -3.800) 7.501 16.350 ( 10.065 5.790 -11.837) 16.582 16.878 ( -11.932 -6.193 6.680) 15.012 17.729 ( 4.310 2.173 -6.761) 8.307 18.245 ( 1.036 -2.525 0.214) 2.738 18.366 ( 3.709 -1.437 4.029) 5.662 ======================= Grid point 468 (236/337) ======================= q-point: (-0.10 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -2.432 5.274 0.710) 5.851 2.352 ( 2.552 5.876 -8.451) 10.604 2.716 ( -0.512 0.112 3.908) 3.943 2.836 ( -2.607 -8.376 4.261) 9.752 2.930 ( 3.577 -4.120 -1.923) 5.785 3.294 ( 10.350 -2.450 8.356) 13.526 3.765 ( -0.747 5.800 2.508) 6.363 3.887 ( 11.469 4.815 -15.413) 19.806 4.237 ( -8.169 -2.114 0.569) 8.457 4.547 ( 3.363 2.307 3.817) 5.586 5.093 ( -7.019 -8.803 9.262) 14.579 5.541 ( -2.741 -8.175 -8.235) 11.923 5.581 ( -11.895 0.931 1.730) 12.056 6.046 ( 0.275 -5.813 -1.405) 5.987 7.528 ( -3.027 4.967 4.388) 7.286 7.996 ( -0.583 -5.117 -1.367) 5.329 8.161 ( -11.555 -2.188 15.062) 19.110 8.805 ( -1.528 -5.786 4.872) 7.717 8.853 ( -4.740 -1.583 -0.317) 5.008 9.072 ( -3.631 -2.805 -3.517) 5.781 10.202 ( -14.839 -8.632 -5.468) 18.017 10.587 ( -5.834 14.178 6.853) 16.794 11.070 ( 6.013 12.005 -0.997) 13.464 11.461 ( -2.147 3.873 1.186) 4.584 11.976 ( -2.460 5.785 0.230) 6.291 12.404 ( -8.301 -2.703 10.222) 13.442 12.776 ( 11.824 -1.882 8.601) 14.742 13.407 ( 9.842 -3.717 -5.507) 11.875 14.552 ( -16.513 1.186 -1.755) 16.648 15.702 ( 0.303 -0.351 1.231) 1.316 15.893 ( 10.617 -0.341 -3.820) 11.288 16.317 ( 9.070 3.335 -9.713) 13.702 16.837 ( -10.537 -5.223 4.657) 12.649 17.683 ( 0.312 2.726 -3.044) 4.098 18.290 ( 2.709 -5.761 -2.832) 6.968 18.487 ( 4.385 0.968 5.937) 7.444 ======================= Grid point 474 (237/337) ======================= q-point: (-0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 335 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 1.770 0.000 3.196) 3.653 2.276 ( 3.279 -0.000 8.267) 8.893 2.469 ( 0.728 -0.000 -2.384) 2.493 2.501 ( -4.065 0.000 4.339) 5.945 3.100 ( 4.506 0.000 -3.199) 5.526 3.124 ( -13.550 -0.000 0.149) 13.551 3.748 ( -8.601 -0.000 3.510) 9.289 3.810 ( 14.411 0.000 -6.010) 15.614 4.439 ( 1.655 0.000 0.586) 1.756 4.538 ( 0.611 -0.000 -0.419) 0.741 4.838 ( 0.014 -0.000 0.813) 0.813 5.420 ( -0.610 -0.000 -2.036) 2.125 5.836 ( 0.942 0.000 1.850) 2.076 6.104 ( -3.539 -0.000 -0.520) 3.578 7.376 ( 2.878 -0.000 -0.894) 3.014 7.587 ( -2.770 -0.000 0.873) 2.904 8.013 ( -13.690 -0.000 20.750) 24.859 8.372 ( -8.675 -0.000 11.979) 14.790 8.833 ( 3.947 -0.000 0.823) 4.032 9.424 ( 3.378 -0.000 -5.819) 6.728 10.432 ( 21.625 -0.000 17.005) 27.510 10.760 ( -2.628 -0.000 9.304) 9.668 11.218 ( -10.403 -0.000 9.051) 13.789 11.576 ( -11.937 -0.000 -5.125) 12.991 12.223 ( -9.721 -0.000 9.326) 13.471 12.376 ( 8.322 -0.000 6.028) 10.276 12.454 ( 10.785 0.000 -5.121) 11.939 12.821 ( -9.024 -0.000 -6.432) 11.082 15.095 ( -6.607 -0.000 8.450) 10.726 15.614 ( 10.308 -0.000 -8.517) 13.372 15.738 ( -5.743 -0.000 -4.186) 7.107 16.488 ( 7.528 -0.000 -10.005) 12.521 16.876 ( -10.303 -0.000 7.660) 12.839 17.672 ( 17.821 -0.000 -8.658) 19.813 18.099 ( -0.510 -0.000 2.111) 2.172 18.419 ( -8.765 -0.000 -1.263) 8.856 ======================= Grid point 476 (238/337) ======================= q-point: (-0.40 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 8.091 0.959 3.689) 8.944 2.395 ( 4.091 7.181 -1.772) 8.453 2.450 ( 3.198 1.005 7.945) 8.623 2.581 ( 4.613 -6.064 1.548) 7.775 2.940 ( -12.026 -3.138 -1.608) 12.532 3.106 ( -3.008 -1.010 -0.052) 3.173 3.673 ( -1.517 1.761 -1.076) 2.561 3.955 ( 11.329 -0.869 -2.122) 11.559 4.419 ( -0.159 5.800 0.088) 5.802 4.547 ( -1.010 -5.140 -3.504) 6.303 4.852 ( -0.715 -1.281 2.421) 2.831 5.406 ( 1.335 -3.798 -4.584) 6.101 5.858 ( -3.037 1.197 4.710) 5.731 6.018 ( -7.481 -1.256 -1.712) 7.776 7.432 ( 4.472 -2.016 0.330) 4.916 7.612 ( 2.605 -3.626 0.937) 4.562 8.061 ( -14.636 -0.515 21.040) 25.635 8.401 ( -7.560 -0.881 12.635) 14.750 8.902 ( 4.477 -1.448 -0.640) 4.748 9.354 ( 0.136 0.438 -10.045) 10.056 10.712 ( -17.306 -0.719 3.812) 17.735 10.925 ( 20.287 3.217 18.152) 27.412 11.174 ( -2.843 10.551 7.035) 12.996 11.359 ( -9.562 -3.718 -4.897) 11.368 12.171 ( -8.858 4.994 8.770) 13.428 12.408 ( -6.376 -6.464 4.169) 9.991 12.567 ( 5.388 13.256 -1.193) 14.358 12.830 ( 11.930 -14.199 -3.109) 18.804 15.041 ( -9.980 -0.776 0.264) 10.014 15.615 ( -0.874 3.806 0.056) 3.905 15.698 ( 6.235 -3.647 -4.406) 8.461 16.472 ( 9.200 1.939 -11.689) 15.001 16.830 ( -10.426 -2.002 7.410) 12.947 17.757 ( 12.561 0.231 -11.999) 17.372 18.184 ( 3.921 0.694 7.480) 8.474 18.292 ( -6.939 -1.488 -2.187) 7.426 ======================= Grid point 477 (239/337) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 0.688 9.926 2.019) 10.152 2.399 ( 10.457 2.876 -0.498) 10.857 2.556 ( 1.385 -0.425 5.104) 5.306 2.766 ( 2.586 -8.987 2.324) 9.636 2.844 ( -1.515 -2.665 -1.882) 3.596 3.045 ( -3.873 -0.795 1.940) 4.404 3.689 ( 7.620 -0.041 -2.026) 7.885 4.050 ( 5.160 -0.107 -3.564) 6.272 4.343 ( -3.190 5.185 -0.865) 6.149 4.521 ( -1.635 -2.456 -2.214) 3.689 4.901 ( -1.656 -3.874 4.727) 6.332 5.411 ( 2.501 -6.129 -7.352) 9.893 5.791 ( -10.249 3.481 1.549) 10.934 5.941 ( -5.596 -4.477 1.804) 7.389 7.525 ( 4.095 -1.761 1.708) 4.774 7.733 ( 6.828 -6.888 -0.188) 9.701 8.097 ( -16.135 -0.832 21.362) 26.783 8.481 ( -5.033 -4.535 12.871) 14.545 8.947 ( 2.948 -0.297 -2.946) 4.178 9.201 ( -3.430 0.548 -11.151) 11.680 10.430 ( -23.019 -1.048 -3.211) 23.265 10.989 ( -8.003 11.363 0.479) 13.907 11.267 ( 5.318 7.778 7.125) 11.813 11.412 ( 8.828 -0.307 10.372) 13.624 12.112 ( -5.724 3.989 5.556) 8.919 12.390 ( -8.128 -1.853 3.547) 9.060 12.557 ( 3.389 1.307 4.066) 5.452 13.109 ( 17.021 -7.675 -2.441) 18.831 14.842 ( -14.075 0.552 -5.153) 14.999 15.623 ( -1.465 -0.101 6.514) 6.677 15.784 ( 9.257 -1.687 -3.934) 10.198 16.435 ( 9.205 3.543 -12.776) 16.140 16.791 ( -10.313 -3.386 6.439) 12.621 17.762 ( 8.194 1.492 -9.995) 13.010 18.193 ( -3.465 -2.764 -2.210) 4.952 18.356 ( 5.538 -0.039 7.594) 9.399 ======================= Grid point 478 (240/337) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -6.503 9.212 3.636) 11.848 2.453 ( 4.279 5.740 -5.462) 9.005 2.665 ( -16.795 -8.937 2.653) 19.209 2.729 ( 9.194 -1.166 4.067) 10.120 2.900 ( 6.944 0.926 -0.465) 7.021 3.216 ( 14.208 -6.261 3.253) 15.863 3.800 ( 6.235 0.575 2.531) 6.754 3.988 ( 1.568 3.539 -11.644) 12.270 4.229 ( -8.386 1.930 0.465) 8.618 4.538 ( 1.155 -2.966 2.421) 3.999 4.974 ( -2.295 -4.531 6.062) 7.908 5.406 ( 1.606 -6.449 -8.836) 11.056 5.601 ( -13.496 1.205 -0.714) 13.569 5.957 ( -2.148 -4.073 2.759) 5.368 7.592 ( 1.408 2.099 3.204) 4.081 7.883 ( 6.385 -6.961 -2.300) 9.722 8.124 ( -15.999 -1.605 20.355) 25.940 8.633 ( -2.440 -9.098 11.284) 14.699 8.879 ( -5.471 1.059 -5.575) 7.882 9.055 ( 0.174 0.632 -7.532) 7.560 10.094 ( -19.919 -3.886 -5.439) 21.010 10.798 ( -7.015 8.879 0.505) 11.327 11.267 ( -0.087 9.430 2.970) 9.887 11.561 ( 1.602 7.883 4.267) 9.106 12.075 ( 0.468 4.850 2.069) 5.294 12.350 ( -9.181 -3.063 6.694) 11.768 12.715 ( 7.259 -5.175 6.386) 10.966 13.356 ( 17.159 -1.727 -2.686) 17.453 14.571 ( -16.858 0.956 -2.273) 17.037 15.689 ( -1.802 -0.988 6.558) 6.873 15.886 ( 11.216 -0.447 -4.397) 12.055 16.375 ( 6.539 2.923 -11.189) 13.285 16.757 ( -8.005 -3.643 4.194) 9.744 17.734 ( 4.158 2.916 -6.267) 8.066 18.183 ( 0.485 -5.969 -3.053) 6.722 18.508 ( 4.801 1.285 7.304) 8.835 ======================= Grid point 479 (241/337) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -9.710 5.432 6.206) 12.739 2.252 ( -10.649 5.239 -10.235) 15.672 2.605 ( -3.756 -5.792 3.076) 7.558 2.964 ( 9.505 -2.677 6.416) 11.776 3.008 ( 9.990 -0.313 -1.106) 10.056 3.498 ( 11.809 -3.543 4.928) 13.278 3.745 ( -7.559 5.282 -4.518) 10.269 3.918 ( 5.331 2.690 -5.576) 8.170 4.104 ( -9.522 -0.904 2.291) 9.836 4.642 ( 4.087 -2.752 3.173) 5.861 5.046 ( -3.505 -5.109 4.465) 7.637 5.337 ( -6.398 -3.226 -5.594) 9.090 5.455 ( -4.659 -2.919 -0.706) 5.543 6.011 ( 1.579 -4.354 0.498) 4.658 7.602 ( -1.171 5.889 4.825) 7.703 7.914 ( -1.424 -0.659 -5.540) 5.758 8.151 ( -13.523 -2.317 16.396) 21.379 8.710 ( -6.435 -1.078 -2.846) 7.119 8.808 ( -2.397 -6.224 5.583) 8.698 9.006 ( 0.230 -1.120 -1.179) 1.642 9.889 ( -11.370 -10.781 -2.699) 15.899 10.649 ( -6.004 8.215 2.009) 10.371 11.201 ( 0.305 5.874 -1.508) 6.073 11.418 ( -7.430 11.949 -4.363) 14.732 12.084 ( 3.471 7.517 2.916) 8.778 12.339 ( -7.942 -2.707 7.461) 11.228 12.924 ( 5.807 -10.449 -1.347) 12.030 13.554 ( 16.815 4.659 0.176) 17.449 14.354 ( -16.871 0.644 7.149) 18.334 15.713 ( -1.264 1.669 1.644) 2.662 15.994 ( 11.122 -1.521 -5.504) 12.502 16.324 ( 3.348 0.670 -6.237) 7.110 16.739 ( -3.516 -3.043 1.664) 4.939 17.683 ( 0.326 4.107 -2.781) 4.971 18.228 ( 2.568 -7.191 -3.670) 8.472 18.625 ( 2.945 1.968 6.534) 7.432 ======================= Grid point 486 (242/337) ======================= q-point: (-0.40 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 9.480 -0.000 5.990) 11.214 2.459 ( -1.747 0.000 -3.372) 3.798 2.551 ( 0.743 -0.000 3.551) 3.628 2.614 ( 2.656 -0.000 2.945) 3.966 2.842 ( 6.868 -0.000 -1.745) 7.086 3.036 ( -7.514 0.000 2.033) 7.784 3.689 ( 7.720 -0.000 -3.430) 8.448 4.038 ( 0.943 -0.000 1.446) 1.726 4.437 ( -3.186 0.000 -5.556) 6.405 4.454 ( 1.495 -0.000 -1.535) 2.143 4.868 ( -0.948 0.000 4.106) 4.214 5.356 ( 3.069 -0.000 -6.901) 7.553 5.844 ( -11.857 0.000 -3.509) 12.366 5.880 ( -4.449 0.000 6.789) 8.116 7.505 ( 5.888 -0.000 1.315) 6.034 7.668 ( 7.042 -0.000 -0.255) 7.046 8.091 ( -16.719 0.000 22.070) 27.688 8.442 ( -6.241 0.000 12.311) 13.803 8.944 ( 4.020 -0.000 -2.326) 4.644 9.206 ( -3.221 0.000 -11.788) 12.220 10.421 ( -23.637 0.000 -2.744) 23.796 11.092 ( -10.742 0.000 -6.154) 12.380 11.347 ( 0.753 -0.000 9.034) 9.066 11.401 ( 16.382 -0.000 15.953) 22.867 12.168 ( -7.287 0.000 5.819) 9.326 12.335 ( -6.051 0.000 3.906) 7.203 12.596 ( -2.874 0.000 0.767) 2.974 13.030 ( 22.883 -0.000 -0.690) 22.893 14.846 ( -13.765 0.000 -4.779) 14.571 15.622 ( -4.872 0.000 7.935) 9.312 15.768 ( 11.477 -0.000 -4.470) 12.316 16.467 ( 8.927 -0.000 -12.995) 15.766 16.761 ( -9.634 0.000 6.197) 11.455 17.777 ( 10.365 -0.000 -11.550) 15.519 18.166 ( -5.672 0.000 -2.278) 6.112 18.356 ( 6.088 -0.000 8.427) 10.396 ======================= Grid point 487 (243/337) ======================= q-point: (-0.30 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -11.166 10.421 4.408) 15.897 2.489 ( -12.514 -10.138 6.007) 17.190 2.551 ( 4.083 4.561 -4.026) 7.327 2.696 ( 8.833 -2.537 0.200) 9.192 2.961 ( 7.215 5.474 -0.015) 9.056 3.087 ( 14.109 -7.617 0.098) 16.035 3.813 ( 12.821 0.691 -0.389) 12.846 4.001 ( -9.822 -0.644 2.586) 10.177 4.285 ( -5.873 2.849 -6.286) 9.062 4.477 ( 0.823 -2.792 -0.328) 2.929 4.925 ( 1.125 -1.262 4.256) 4.579 5.326 ( 3.524 -2.330 -8.355) 9.362 5.619 ( -13.748 0.636 -3.523) 14.206 5.907 ( -3.603 -1.515 6.194) 7.324 7.608 ( 5.236 0.152 2.650) 5.870 7.784 ( 9.258 -3.295 -2.378) 10.111 8.106 ( -18.616 -0.479 22.892) 29.510 8.520 ( -3.945 -3.330 11.423) 12.535 8.889 ( -6.552 0.223 -7.164) 9.711 9.071 ( 3.386 0.659 -7.825) 8.551 10.053 ( -22.374 -1.013 -5.582) 23.082 10.894 ( -7.328 2.381 -4.401) 8.873 11.389 ( -5.749 3.957 6.244) 9.364 11.695 ( 6.844 5.083 9.126) 12.488 12.137 ( 0.029 1.973 1.349) 2.390 12.313 ( -5.596 -0.736 4.562) 7.258 12.615 ( 0.077 -4.540 3.520) 5.745 13.343 ( 22.934 -0.133 -0.467) 22.939 14.583 ( -17.092 0.366 -2.491) 17.277 15.673 ( -3.798 -0.596 10.131) 10.836 15.880 ( 11.887 -0.218 -4.704) 12.786 16.412 ( 4.439 1.156 -11.592) 12.467 16.713 ( -5.738 -1.202 3.171) 6.666 17.778 ( 8.515 1.694 -9.796) 13.089 18.098 ( -2.729 -3.006 -1.520) 4.336 18.526 ( 5.114 0.614 8.009) 9.522 ======================= Grid point 488 (244/337) ======================= q-point: (-0.20 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -15.600 6.747 8.062) 18.811 2.290 ( -20.643 -1.794 -2.185) 20.836 2.558 ( 4.381 1.120 -2.386) 5.112 2.903 ( 11.623 -3.642 2.325) 12.400 3.031 ( 9.654 2.223 -1.039) 9.961 3.384 ( 16.474 -7.535 0.638) 18.126 3.821 ( -16.045 3.526 4.881) 17.137 3.985 ( 5.476 3.682 1.525) 6.773 4.113 ( -3.247 1.139 -6.485) 7.341 4.542 ( 1.110 -6.684 3.178) 7.484 4.991 ( 1.856 -1.517 -0.210) 2.406 5.291 ( 1.066 -1.953 -7.988) 8.292 5.420 ( -10.187 -1.135 0.670) 10.272 5.951 ( -0.680 -2.316 3.708) 4.425 7.685 ( 2.477 3.345 3.747) 5.601 7.887 ( 5.754 -2.139 -4.710) 7.737 8.111 ( -17.589 -1.795 20.087) 26.760 8.638 ( -3.004 -4.955 5.723) 8.144 8.709 ( -7.914 -4.046 -0.237) 8.892 9.047 ( 5.234 3.626 -5.920) 8.694 9.750 ( -16.182 -5.145 -4.027) 17.451 10.749 ( -5.183 3.071 -2.444) 6.501 11.278 ( -9.905 3.993 1.532) 10.789 11.680 ( -2.393 14.394 -0.710) 14.609 12.162 ( 1.547 1.463 1.179) 2.434 12.317 ( -1.933 0.626 6.649) 6.953 12.721 ( 1.856 -11.694 -3.132) 12.248 13.632 ( 21.490 3.649 0.277) 21.799 14.362 ( -17.698 0.312 7.939) 19.400 15.733 ( -3.279 0.629 7.866) 8.545 15.971 ( 10.607 -1.011 -8.301) 13.507 16.333 ( 1.023 0.351 -5.769) 5.869 16.698 ( -0.788 -1.465 -0.065) 1.665 17.755 ( 5.187 3.791 -6.434) 9.092 18.107 ( 0.481 -5.994 -1.789) 6.273 18.659 ( 3.143 1.633 7.037) 7.879 ======================= Grid point 489 (245/337) ======================= q-point: (-0.10 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -17.441 2.456 8.942) 19.753 1.977 ( -18.002 0.690 -4.113) 18.479 2.605 ( 4.520 -1.376 -0.484) 4.749 3.064 ( 6.112 -4.275 -1.997) 7.721 3.173 ( 10.320 0.379 2.523) 10.631 3.590 ( -13.788 -0.270 1.193) 13.842 3.655 ( 5.965 -1.150 2.084) 6.422 3.900 ( -8.746 2.384 6.372) 11.080 4.090 ( 3.271 5.774 -1.798) 6.875 4.676 ( 3.658 -7.027 0.737) 7.956 4.946 ( -3.112 -1.040 -8.785) 9.378 5.256 ( 3.498 -2.009 -1.345) 4.252 5.422 ( -1.365 -2.784 8.075) 8.650 6.009 ( 1.846 -3.341 0.460) 3.845 7.683 ( -3.496 6.539 3.023) 8.008 7.842 ( -0.509 3.125 -5.380) 6.242 8.116 ( -12.671 -2.417 13.143) 18.416 8.608 ( -4.041 -3.350 2.923) 6.008 8.805 ( -1.705 -4.424 7.296) 8.701 9.022 ( 3.708 3.106 -2.226) 5.325 9.640 ( -8.185 -12.260 0.141) 14.742 10.634 ( -5.031 3.740 -0.146) 6.270 11.138 ( -7.784 -0.244 -0.424) 7.800 11.404 ( -6.346 18.706 -9.301) 21.833 12.155 ( -4.076 -0.018 2.371) 4.715 12.390 ( 2.796 2.728 5.733) 6.938 12.746 ( -1.809 -12.122 -11.249) 16.636 13.868 ( 18.095 5.552 0.256) 18.929 14.300 ( -13.628 1.130 19.893) 24.140 15.731 ( -1.227 3.182 0.192) 3.416 15.990 ( 3.592 -4.585 -9.031) 10.746 16.332 ( 4.369 0.421 -0.988) 4.499 16.722 ( 3.207 -1.826 -0.828) 3.782 17.705 ( 1.174 5.812 -2.827) 6.569 18.159 ( 1.910 -6.893 -2.720) 7.653 18.739 ( 0.661 2.335 5.566) 6.072 ======================= Grid point 497 (246/337) ======================= q-point: (-0.30 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 335 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -17.437 0.000 5.668) 18.336 2.230 ( -24.075 0.000 5.645) 24.728 2.589 ( 6.796 -0.000 -6.334) 9.289 2.861 ( 12.268 -0.000 0.945) 12.304 3.060 ( 8.751 -0.000 -3.982) 9.615 3.301 ( 17.094 -0.000 2.372) 17.258 3.860 ( -18.529 0.000 9.258) 20.714 4.017 ( 2.973 -0.000 5.703) 6.431 4.127 ( 4.805 -0.000 -11.989) 12.916 4.471 ( -1.593 0.000 2.258) 2.763 4.980 ( 3.595 -0.000 -2.042) 4.135 5.272 ( 3.463 -0.000 -7.960) 8.680 5.411 ( -11.702 0.000 0.311) 11.706 5.930 ( -1.686 0.000 5.024) 5.299 7.716 ( 4.540 -0.000 3.302) 5.614 7.862 ( 9.278 -0.000 -4.623) 10.366 8.095 ( -20.323 0.000 22.255) 30.138 8.587 ( -1.975 0.000 10.610) 10.792 8.676 ( -9.956 0.000 -6.249) 11.754 9.085 ( 7.141 -0.000 -5.788) 9.192 9.705 ( -18.293 0.000 -4.780) 18.907 10.773 ( -4.673 0.000 -4.065) 6.193 11.321 ( -12.674 0.000 2.316) 12.884 11.827 ( -2.744 0.000 4.549) 5.313 12.172 ( 3.250 -0.000 -2.193) 3.920 12.335 ( 0.160 -0.000 3.884) 3.887 12.587 ( -0.585 0.000 -1.911) 1.999 13.667 ( 23.301 -0.000 -0.075) 23.301 14.365 ( -18.168 0.000 8.293) 19.971 15.738 ( -4.208 0.000 10.860) 11.647 15.962 ( 10.386 -0.000 -9.606) 14.148 16.336 ( 0.050 -0.000 -5.552) 5.552 16.686 ( 0.404 -0.000 -1.019) 1.096 17.796 ( 8.900 -0.000 -9.749) 13.201 18.045 ( -2.094 0.000 0.776) 2.234 18.675 ( 3.281 -0.000 7.258) 7.965 ======================= Grid point 498 (247/337) ======================= q-point: (-0.20 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -23.457 1.239 7.603) 24.690 1.976 ( -21.011 -0.502 1.585) 21.076 2.619 ( 8.071 1.722 -4.443) 9.373 2.993 ( 8.157 -3.002 -4.917) 9.986 3.168 ( 10.514 -0.423 -0.153) 10.524 3.491 ( -10.310 -3.917 12.998) 17.046 3.759 ( -2.592 6.558 3.369) 7.815 3.875 ( -10.654 -4.040 0.986) 11.437 4.255 ( 12.199 10.326 -1.967) 16.103 4.518 ( 0.743 -9.531 1.640) 9.700 4.925 ( 0.655 -0.861 -11.504) 11.555 5.244 ( 4.141 0.021 -4.733) 6.289 5.386 ( -2.249 -1.186 10.672) 10.970 5.968 ( 0.351 -1.213 2.003) 2.368 7.773 ( 0.302 3.014 1.522) 3.390 7.882 ( -0.699 1.238 -3.475) 3.755 8.079 ( -11.506 -1.404 13.786) 18.012 8.549 ( -4.764 -2.118 2.688) 5.865 8.714 ( -0.263 -3.814 10.717) 11.379 9.106 ( 7.082 4.109 -4.987) 9.587 9.482 ( -12.000 -5.349 -0.804) 13.163 10.673 ( -3.568 0.935 -3.104) 4.820 11.150 ( -12.169 0.824 0.311) 12.201 11.714 ( -7.735 13.882 -2.539) 16.093 12.101 ( -6.568 -5.210 -8.717) 12.094 12.395 ( 2.242 -1.909 2.000) 3.560 12.596 ( 2.228 -3.522 -1.592) 4.461 13.941 ( 19.522 2.341 -2.243) 19.790 14.313 ( -13.624 0.358 21.416) 25.385 15.782 ( -4.277 2.126 7.009) 8.481 15.920 ( 3.087 -2.781 -13.715) 14.331 16.337 ( 4.663 0.127 -0.661) 4.711 16.700 ( 4.010 -0.619 -1.925) 4.491 17.792 ( 6.909 3.338 -7.598) 10.799 18.056 ( -0.877 -3.856 1.234) 4.142 18.773 ( 0.952 1.148 5.584) 5.780 ======================= Grid point 499 (248/337) ======================= q-point: (-0.10 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -19.046 0.125 0.739) 19.061 1.776 ( -20.010 -3.931 9.653) 22.562 2.666 ( 5.639 1.758 -2.309) 6.342 3.053 ( 3.086 -3.950 -3.400) 6.057 3.281 ( 3.368 0.217 -2.088) 3.969 3.449 ( -14.959 -3.366 14.925) 21.398 3.584 ( -14.573 0.966 1.415) 14.673 4.049 ( 14.144 -1.051 6.279) 15.511 4.161 ( -4.162 12.963 -0.510) 13.625 4.605 ( -0.565 -7.582 -5.492) 9.380 4.836 ( 4.169 -0.049 -8.931) 9.856 5.321 ( 10.629 -2.346 -0.995) 10.930 5.555 ( 2.065 -0.920 16.005) 16.164 6.000 ( 1.087 -2.665 -1.252) 3.139 7.666 ( -7.618 7.090 -1.383) 10.498 7.808 ( -2.928 0.064 -2.262) 3.701 8.111 ( -2.707 0.400 7.900) 8.361 8.636 ( 0.162 -2.180 11.420) 11.628 8.856 ( -0.068 -1.450 8.686) 8.807 9.107 ( 5.856 5.394 -1.551) 8.112 9.453 ( -6.182 -11.687 3.080) 13.576 10.582 ( -4.708 1.651 -1.396) 5.181 11.017 ( -7.364 -3.410 -1.657) 8.283 11.328 ( -12.251 19.208 -10.213) 24.967 11.978 ( -12.131 -13.687 -4.603) 18.860 12.434 ( 0.272 -1.175 -0.868) 1.486 12.662 ( 3.821 2.167 4.190) 6.071 14.079 ( 11.763 4.527 -7.524) 14.679 14.457 ( -4.673 1.084 26.287) 26.721 15.717 ( 0.818 2.342 -8.165) 8.534 15.861 ( -4.196 -4.831 -2.019) 6.710 16.394 ( 6.114 0.389 -3.556) 7.084 16.777 ( 7.646 -1.351 0.333) 7.771 17.750 ( 2.613 6.479 -3.788) 7.947 18.101 ( 0.118 -5.287 -0.258) 5.295 18.802 ( -2.049 2.102 3.248) 4.378 ======================= Grid point 508 (249/337) ======================= q-point: (-0.20 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -22.593 0.000 7.953) 23.952 1.712 ( -21.300 0.000 2.606) 21.459 2.696 ( 7.775 -0.000 -3.835) 8.669 2.999 ( 7.609 -0.000 -9.065) 11.835 3.306 ( 7.414 -0.000 2.458) 7.811 3.388 ( -29.853 0.000 25.906) 39.526 3.603 ( -12.027 0.000 -5.639) 13.283 4.038 ( 15.834 -0.000 7.446) 17.497 4.355 ( -10.735 0.000 -1.926) 10.906 4.466 ( 8.681 -0.000 -5.171) 10.105 4.831 ( 5.578 -0.000 -10.171) 11.600 5.302 ( 9.394 -0.000 -0.319) 9.400 5.546 ( 2.939 -0.000 15.879) 16.148 5.975 ( 0.488 -0.000 -0.968) 1.085 7.765 ( -11.590 0.000 -0.783) 11.616 7.775 ( -1.158 0.000 -1.913) 2.236 8.119 ( 0.915 -0.000 5.159) 5.240 8.609 ( 1.547 -0.000 12.957) 13.049 8.834 ( 1.663 -0.000 10.819) 10.946 9.185 ( 8.651 -0.000 -4.354) 9.685 9.325 ( -9.370 0.000 4.307) 10.312 10.598 ( -2.894 0.000 -3.203) 4.317 10.984 ( -11.809 0.000 -2.042) 11.984 11.663 ( -19.511 0.000 -17.955) 26.515 11.688 ( -8.756 0.000 1.474) 8.879 12.426 ( 1.550 -0.000 1.304) 2.025 12.686 ( 5.016 -0.000 5.400) 7.371 14.121 ( 13.442 -0.000 -8.254) 15.774 14.467 ( -5.251 0.000 26.326) 26.844 15.747 ( 1.566 -0.000 -16.325) 16.400 15.808 ( -6.728 0.000 7.277) 9.910 16.397 ( 6.223 -0.000 -3.909) 7.348 16.764 ( 7.696 -0.000 0.292) 7.701 17.817 ( 7.253 -0.000 -8.404) 11.101 18.045 ( -2.699 0.000 4.009) 4.833 18.823 ( -1.826 0.000 2.958) 3.476 ======================= Grid point 509 (250/337) ======================= q-point: (-0.10 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -14.495 0.619 7.536) 16.349 1.572 ( -17.336 -6.797 10.388) 21.323 2.701 ( -1.366 2.561 -1.812) 3.422 3.000 ( 1.769 -3.327 -6.695) 7.682 3.273 ( -12.407 6.285 12.011) 18.377 3.414 ( -10.160 -5.208 4.297) 12.199 3.475 ( 1.416 -2.369 6.833) 7.370 4.044 ( -6.551 6.323 -12.863) 15.760 4.417 ( 10.112 1.917 10.225) 14.508 4.464 ( -1.643 -3.079 -0.008) 3.490 4.821 ( 7.670 -0.402 -8.916) 11.768 5.475 ( 12.006 -0.748 1.948) 12.186 5.792 ( 4.454 0.437 16.982) 17.562 5.963 ( 0.418 -2.053 -2.919) 3.593 7.584 ( -8.621 3.380 -1.459) 9.374 7.751 ( 0.237 -0.330 -1.344) 1.404 8.188 ( 1.700 0.480 3.996) 4.370 8.825 ( 3.161 1.836 16.698) 17.094 8.964 ( 1.559 1.203 7.035) 7.305 9.225 ( 5.628 4.687 -0.020) 7.324 9.345 ( -4.375 -8.643 6.927) 11.910 10.508 ( -5.817 2.875 -2.236) 6.863 10.741 ( -15.809 -8.011 -10.557) 20.629 11.253 ( -10.883 12.163 2.986) 16.592 11.655 ( -10.024 -12.127 0.811) 15.755 12.454 ( 0.829 1.086 1.591) 2.097 12.803 ( 2.717 2.024 6.704) 7.511 14.107 ( 5.945 3.390 -14.838) 16.341 14.735 ( 3.151 0.063 22.244) 22.466 15.611 ( 4.231 -1.349 -14.482) 15.148 15.773 ( -8.318 -0.547 3.913) 9.209 16.404 ( 4.318 -0.104 -7.402) 8.570 16.914 ( 11.071 -0.562 2.266) 11.315 17.788 ( 3.192 4.374 -5.896) 8.005 18.065 ( -2.858 -2.650 3.501) 5.239 18.787 ( -5.315 1.091 0.449) 5.444 ======================= Grid point 519 (251/337) ======================= q-point: (-0.10 -0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 335 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -9.631 0.000 12.171) 15.521 1.489 ( -4.847 0.000 14.510) 15.298 2.628 ( -9.416 0.000 1.945) 9.614 2.901 ( -5.372 0.000 -3.304) 6.306 3.299 ( 7.180 -0.000 -10.373) 12.616 3.383 ( -9.698 0.000 20.843) 22.989 3.579 ( 3.454 -0.000 7.413) 8.178 3.812 ( -8.975 0.000 -12.302) 15.228 4.291 ( -6.531 0.000 -8.163) 10.454 4.695 ( 1.788 -0.000 2.957) 3.456 4.911 ( 15.312 -0.000 4.683) 16.012 5.623 ( 5.437 -0.000 0.795) 5.495 5.935 ( 3.122 -0.000 -2.146) 3.789 6.037 ( 3.077 -0.000 14.516) 14.839 7.492 ( -5.149 0.000 0.590) 5.183 7.783 ( 5.014 -0.000 0.127) 5.016 8.244 ( -0.244 0.000 4.003) 4.010 8.996 ( -6.674 0.000 1.046) 6.756 9.085 ( 3.605 -0.000 15.978) 16.380 9.327 ( 7.289 -0.000 -3.603) 8.131 9.351 ( -6.598 0.000 15.867) 17.184 10.380 ( -12.255 0.000 0.913) 12.289 10.453 ( -2.726 0.000 -2.253) 3.537 11.292 ( -4.605 0.000 10.830) 11.769 11.510 ( -7.434 0.000 2.144) 7.737 12.489 ( -0.354 0.000 2.759) 2.781 12.902 ( -1.057 0.000 6.806) 6.887 13.971 ( 2.459 -0.000 -20.893) 21.037 15.031 ( 8.777 -0.000 14.616) 17.049 15.523 ( 7.032 -0.000 -12.932) 14.721 15.684 ( -9.404 0.000 2.091) 9.633 16.350 ( 2.127 -0.000 -9.239) 9.480 17.104 ( 12.613 -0.000 2.500) 12.858 17.762 ( -0.466 0.000 -5.833) 5.852 18.056 ( -4.610 0.000 5.756) 7.374 18.697 ( -7.446 0.000 -0.977) 7.509 ======================= Grid point 520 (252/337) ======================= q-point: ( 0.00 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 1.339 -0.000 5.223) 5.392 2.078 ( 10.716 -0.000 -2.832) 11.084 2.555 ( -6.880 0.000 6.427) 9.415 2.881 ( 1.935 -0.000 1.992) 2.777 3.171 ( 7.058 -0.000 -1.978) 7.330 3.257 ( -1.142 0.000 -0.769) 1.377 3.575 ( -9.682 0.000 -6.262) 11.531 3.651 ( -0.576 0.000 -3.488) 3.535 4.180 ( 1.928 -0.000 8.323) 8.543 4.449 ( -0.566 0.000 -6.233) 6.258 5.636 ( 0.700 -0.000 10.832) 10.854 5.679 ( -7.758 0.000 9.596) 12.340 6.006 ( 1.589 -0.000 -3.730) 4.055 6.223 ( 4.714 -0.000 -8.324) 9.566 7.625 ( -8.140 0.000 8.639) 11.869 7.969 ( 12.224 -0.000 -5.269) 13.311 8.534 ( -7.282 0.000 14.030) 15.808 8.953 ( -4.491 0.000 11.838) 12.661 9.079 ( 0.310 -0.000 -11.138) 11.143 9.342 ( -2.065 0.000 -5.845) 6.199 9.981 ( -3.054 0.000 17.182) 17.452 10.445 ( 5.100 -0.000 -3.264) 6.055 10.948 ( 14.496 -0.000 8.731) 16.922 11.199 ( -13.995 0.000 -4.414) 14.675 11.857 ( 4.801 -0.000 15.825) 16.537 12.383 ( -11.673 0.000 -6.655) 13.437 13.028 ( -10.347 0.000 5.810) 11.867 13.297 ( 12.517 -0.000 -10.901) 16.599 15.194 ( -15.226 0.000 0.178) 15.227 15.353 ( 14.447 -0.000 -7.537) 16.294 15.752 ( 9.315 -0.000 2.559) 9.660 15.948 ( -3.390 0.000 -7.568) 8.292 17.507 ( 8.923 -0.000 1.528) 9.053 17.529 ( -9.995 0.000 0.554) 10.010 18.216 ( -1.396 0.000 6.167) 6.323 18.443 ( -0.882 0.000 -4.521) 4.606 ======================= Grid point 521 (253/337) ======================= q-point: ( 0.10 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 0.266 -0.939 2.190) 2.398 2.106 ( 6.399 -0.670 -12.110) 13.713 2.595 ( -1.554 -0.297 10.692) 10.809 2.941 ( 9.323 2.787 -4.438) 10.695 3.203 ( -0.374 3.892 2.668) 4.734 3.294 ( 2.051 -5.436 -3.615) 6.843 3.409 ( -7.515 -0.102 2.203) 7.832 3.636 ( 4.575 -0.082 -1.451) 4.800 4.302 ( 2.175 -0.528 6.292) 6.678 4.377 ( -0.472 -2.101 -6.125) 6.493 5.636 ( -7.202 7.883 11.761) 15.885 5.753 ( -5.972 -3.822 7.660) 10.437 5.924 ( -3.636 3.166 -4.814) 6.814 6.169 ( 3.950 1.421 -10.635) 11.433 7.586 ( -10.531 -1.030 7.304) 12.857 8.038 ( 9.097 1.466 -8.065) 12.245 8.560 ( -13.511 0.800 17.018) 21.744 8.902 ( -4.832 1.049 -10.249) 11.379 9.088 ( 1.987 2.128 11.990) 12.338 9.255 ( 1.063 2.085 -6.114) 6.547 10.156 ( -1.728 -6.341 14.049) 15.510 10.480 ( 7.432 -2.945 -9.688) 12.560 10.935 ( -15.268 1.023 -3.970) 15.808 11.203 ( 8.497 -1.834 6.491) 10.849 12.136 ( -7.148 0.657 -5.454) 9.015 12.170 ( 8.827 -1.547 14.475) 17.024 12.924 ( -11.673 1.308 3.826) 12.354 13.348 ( 10.355 2.025 -7.442) 12.912 14.979 ( -17.202 -0.499 1.396) 17.265 15.484 ( 14.086 -0.003 -4.403) 14.758 15.817 ( -2.282 0.334 -6.096) 6.518 15.919 ( 9.986 -2.026 -0.335) 10.195 17.366 ( -13.078 2.406 1.270) 13.358 17.611 ( 4.288 0.004 0.481) 4.315 18.293 ( 2.203 0.227 6.515) 6.881 18.398 ( 2.176 0.678 -4.416) 4.970 ======================= Grid point 522 (254/337) ======================= q-point: ( 0.20 0.00 -0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -1.213 -1.286 -1.227) 2.152 2.056 ( 2.597 -5.619 -11.119) 12.725 2.729 ( 3.043 0.014 9.092) 9.588 2.946 ( 6.747 5.896 -6.939) 11.333 3.161 ( -3.761 4.824 1.648) 6.335 3.303 ( 5.979 -5.918 -7.171) 11.054 3.440 ( -1.724 -0.302 9.112) 9.278 3.751 ( 8.069 -0.416 2.991) 8.616 4.290 ( -1.822 -1.200 -4.413) 4.923 4.433 ( 2.381 -3.610 3.988) 5.883 5.595 ( -9.139 8.939 12.926) 18.180 5.671 ( -3.952 5.273 -8.620) 10.850 5.802 ( -11.498 0.700 4.713) 12.446 6.081 ( 3.331 1.372 -9.694) 10.342 7.544 ( -8.872 -2.497 6.501) 11.279 7.995 ( 2.797 1.704 -11.304) 11.769 8.555 ( -14.071 1.192 17.101) 22.178 8.727 ( -6.213 -3.370 -7.989) 10.667 9.123 ( 0.591 8.079 -2.316) 8.425 9.258 ( 0.853 3.720 7.945) 8.814 10.350 ( -1.125 -10.395 9.122) 13.876 10.433 ( 2.059 1.633 -12.581) 12.853 10.745 ( -4.844 -3.343 -3.829) 7.021 11.366 ( 2.425 -3.576 4.893) 6.528 11.927 ( -7.314 -1.438 -7.951) 10.899 12.573 ( 14.017 -0.510 19.656) 24.148 12.782 ( -9.340 2.095 0.080) 9.573 13.358 ( 6.666 3.233 -7.367) 10.448 14.782 ( -17.561 -0.697 5.367) 18.376 15.604 ( 7.009 -1.738 -4.625) 8.576 15.755 ( 4.825 0.100 -4.053) 6.302 16.060 ( 9.371 -1.366 -1.401) 9.573 17.171 ( -13.763 3.008 1.491) 14.167 17.640 ( 0.542 0.456 -0.267) 0.758 18.353 ( 3.128 3.431 -2.522) 5.283 18.440 ( 4.984 -1.122 4.758) 6.981 ======================= Grid point 523 (255/337) ======================= q-point: (-0.70 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.850 -5.835 -0.150) 5.898 2.010 ( -0.986 -8.016 -9.697) 12.620 2.822 ( -2.883 0.701 4.191) 5.135 2.932 ( 9.323 4.486 -3.097) 10.800 3.115 ( -0.730 7.932 7.295) 10.801 3.346 ( 6.412 -9.743 -13.345) 17.723 3.566 ( 5.861 5.154 10.459) 13.050 3.859 ( 2.194 -0.735 1.402) 2.706 4.247 ( -1.551 -0.541 0.114) 1.646 4.541 ( 2.040 -5.157 2.705) 6.170 5.423 ( -3.226 9.140 -9.902) 13.856 5.497 ( -11.820 6.680 0.333) 13.581 5.688 ( -10.630 3.857 9.996) 15.093 6.042 ( 2.886 0.449 -3.622) 4.653 7.544 ( -5.265 -3.966 5.610) 8.656 7.846 ( -1.788 0.290 -13.307) 13.430 8.547 ( -10.639 -0.528 12.093) 16.116 8.613 ( -9.185 -5.095 -0.941) 10.546 9.007 ( -1.060 8.244 -3.335) 8.956 9.282 ( -3.298 6.622 6.549) 9.880 10.257 ( 0.406 11.123 -7.780) 13.580 10.494 ( -3.405 -10.026 4.377) 11.457 10.764 ( 4.700 -11.345 -6.826) 14.049 11.404 ( -3.968 0.061 -1.328) 4.185 11.842 ( -1.445 -7.994 -1.019) 8.187 12.612 ( -11.290 2.624 2.251) 11.808 12.980 ( 15.426 3.094 9.688) 18.477 13.327 ( 6.137 1.056 -5.790) 8.503 14.649 ( -16.727 -0.993 11.731) 20.455 15.593 ( 0.192 -4.375 -6.908) 8.179 15.854 ( 12.169 2.048 -1.663) 12.452 16.163 ( 7.009 -0.990 -2.050) 7.369 16.984 ( -11.969 2.931 1.614) 12.428 17.626 ( -1.541 -0.276 -0.476) 1.636 18.319 ( 3.307 4.922 -4.219) 7.278 18.583 ( 4.877 -1.050 5.896) 7.723 ======================= Grid point 524 (256/337) ======================= q-point: (-0.60 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -3.930 -6.740 -9.633) 12.396 2.023 ( -3.326 -8.075 5.365) 10.250 2.790 ( -3.832 2.725 3.520) 5.874 3.007 ( 9.766 3.878 -2.072) 10.710 3.152 ( 2.298 3.553 3.880) 5.741 3.368 ( 2.602 -7.872 -6.289) 10.407 3.674 ( 9.173 7.409 -2.708) 12.098 3.901 ( -3.477 -3.748 8.270) 9.722 4.244 ( -3.151 2.069 4.530) 5.893 4.634 ( 2.605 -4.903 0.026) 5.552 5.190 ( -15.335 7.124 -3.440) 17.255 5.237 ( 2.916 5.925 -13.235) 14.792 5.687 ( -5.843 4.831 14.691) 16.532 6.051 ( 2.110 1.023 -0.354) 2.372 7.581 ( -3.988 -5.118 1.608) 6.684 7.679 ( -0.797 -1.869 -10.349) 10.546 8.521 ( -14.423 -0.823 7.991) 16.509 8.563 ( -3.369 -5.579 3.556) 7.424 8.901 ( -0.367 6.636 -0.812) 6.696 9.210 ( -6.892 5.297 3.258) 9.283 10.091 ( 1.646 16.152 -2.792) 16.474 10.557 ( -2.318 -7.456 1.376) 7.928 10.850 ( 2.574 -13.679 -9.087) 16.623 11.268 ( -6.616 2.851 -3.813) 8.151 11.977 ( 3.519 -11.892 3.593) 12.912 12.484 ( -7.187 1.692 1.728) 7.583 12.992 ( -1.224 10.550 -7.696) 13.116 13.523 ( 15.315 -4.022 4.639) 16.499 14.621 ( -13.853 -1.613 18.480) 23.153 15.559 ( 1.333 -4.966 -8.340) 9.798 15.961 ( 9.507 3.446 -2.527) 10.423 16.227 ( 4.740 -0.848 -1.655) 5.092 16.843 ( -7.421 2.437 1.670) 7.987 17.602 ( -2.360 -1.895 -0.299) 3.041 18.264 ( 2.745 5.627 -4.292) 7.591 18.712 ( 3.033 -1.120 5.069) 6.012 ======================= Grid point 525 (257/337) ======================= q-point: (-0.50 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -4.752 -3.439 -7.449) 9.482 2.096 ( -8.451 -3.687 10.182) 13.736 2.764 ( -2.072 5.278 5.360) 7.803 3.057 ( 7.238 3.770 -4.792) 9.464 3.172 ( 1.795 -2.897 -4.701) 5.806 3.406 ( -0.403 -3.520 -0.119) 3.545 3.665 ( 1.088 -2.040 -3.044) 3.822 4.038 ( 5.114 -0.015 10.017) 11.247 4.200 ( -9.105 2.122 5.131) 10.665 4.693 ( 3.538 -2.283 -2.860) 5.090 4.869 ( -16.251 5.933 -1.574) 17.371 5.177 ( 12.822 2.755 -10.979) 17.103 5.760 ( -2.209 3.008 13.544) 14.048 6.063 ( 0.661 2.052 1.310) 2.522 7.493 ( -3.164 -4.764 -9.139) 10.782 7.694 ( 1.572 -3.569 0.325) 3.913 8.415 ( -13.117 2.705 8.763) 16.006 8.648 ( 1.869 -7.535 2.892) 8.285 8.876 ( 1.681 3.690 2.901) 4.985 9.103 ( -7.526 0.799 1.435) 7.703 9.951 ( 0.022 16.968 2.184) 17.108 10.599 ( -2.546 -3.238 2.093) 4.620 10.844 ( -1.295 -12.621 -12.351) 17.706 11.144 ( -3.462 2.284 -1.117) 4.295 12.160 ( 0.990 -7.496 4.226) 8.661 12.439 ( -1.516 -0.578 1.133) 1.979 12.748 ( -5.188 9.583 -6.541) 12.710 13.762 ( 9.806 -3.866 -1.151) 10.603 14.717 ( -8.028 -1.751 21.555) 23.068 15.520 ( 3.214 -3.394 -10.983) 11.936 15.979 ( 1.724 3.628 -2.122) 4.543 16.277 ( 4.731 -0.382 -2.196) 5.230 16.788 ( -0.367 1.711 1.666) 2.416 17.595 ( -1.961 -3.719 -0.021) 4.205 18.204 ( 1.590 4.715 -3.151) 5.890 18.793 ( 0.222 -1.221 3.265) 3.493 ======================= Grid point 526 (258/337) ======================= q-point: (-0.40 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -2.643 0.866 -0.818) 2.899 2.062 ( -11.767 4.843 8.908) 15.533 2.761 ( -1.596 5.559 6.749) 8.889 3.019 ( 2.533 3.910 -7.124) 8.512 3.155 ( -1.989 -7.072 -5.334) 9.079 3.416 ( -0.393 -1.450 0.651) 1.638 3.675 ( -2.991 -8.256 -3.243) 9.361 4.075 ( -14.050 3.280 7.111) 16.085 4.259 ( 12.097 -0.752 3.957) 12.750 4.635 ( -10.747 0.192 2.756) 11.096 4.721 ( 3.046 3.271 -1.854) 4.840 5.274 ( 16.255 -0.450 -5.925) 17.307 5.863 ( 0.843 -0.055 7.085) 7.135 6.066 ( -0.884 2.812 4.085) 5.038 7.429 ( 0.144 -4.726 -5.700) 7.406 7.722 ( 0.390 -1.293 -1.953) 2.375 8.341 ( -7.060 3.957 8.609) 11.816 8.794 ( 3.343 -7.107 3.116) 8.449 8.933 ( 2.474 -1.574 2.367) 3.769 9.070 ( -1.267 -2.504 4.793) 5.554 9.847 ( -3.586 14.021 8.133) 16.601 10.544 ( -8.021 -1.153 -1.637) 8.267 10.820 ( 2.975 -4.257 -8.358) 9.840 11.105 ( -2.498 -0.982 3.257) 4.221 12.124 ( -8.609 8.411 -1.813) 12.171 12.423 ( -0.337 -0.629 0.192) 0.739 12.712 ( 2.668 -4.733 5.977) 8.077 13.820 ( 1.852 -4.163 -8.564) 9.700 14.895 ( -1.898 -1.037 18.071) 18.200 15.454 ( 5.555 0.575 -13.028) 14.174 15.913 ( -5.642 1.334 -0.030) 5.798 16.300 ( 4.019 0.689 -4.407) 6.004 16.840 ( 6.427 0.964 1.789) 6.741 17.614 ( -0.618 -4.685 -0.248) 4.733 18.160 ( -0.200 2.257 -0.557) 2.334 18.809 ( -2.899 -1.156 0.773) 3.215 ======================= Grid point 527 (259/337) ======================= q-point: (-0.30 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 1.160 3.697 5.577) 6.791 1.915 ( -10.339 10.911 6.283) 16.291 2.761 ( -5.004 4.201 7.312) 9.806 2.927 ( -0.886 1.225 -5.078) 5.298 3.121 ( -3.067 -6.210 -5.099) 8.601 3.453 ( 0.294 -3.845 0.657) 3.912 3.635 ( -4.276 -8.473 -6.616) 11.569 3.952 ( -10.456 6.812 9.460) 15.660 4.304 ( -3.338 -0.493 -6.582) 7.397 4.691 ( 5.122 3.324 -6.318) 8.787 4.754 ( 4.784 -4.129 17.392) 18.505 5.468 ( 14.580 -2.662 -1.080) 14.860 5.907 ( 0.598 0.151 -0.821) 1.027 6.111 ( 1.183 0.027 5.684) 5.806 7.445 ( 1.606 -2.835 0.061) 3.259 7.709 ( 1.913 0.018 -2.349) 3.030 8.343 ( -1.718 3.434 7.218) 8.176 8.892 ( -3.597 -8.267 3.325) 9.609 9.030 ( 7.886 -5.255 -3.245) 10.017 9.213 ( 4.745 -1.541 9.294) 10.549 9.791 ( -7.366 9.335 13.398) 17.913 10.432 ( -7.148 -2.115 0.349) 7.462 10.738 ( 1.348 11.670 -5.692) 13.054 11.188 ( -1.146 -7.940 7.656) 11.089 11.875 ( -8.471 11.813 -1.022) 14.572 12.473 ( 0.952 -2.513 3.835) 4.683 12.888 ( 1.852 -6.063 8.133) 10.312 13.706 ( -2.602 -3.947 -16.000) 16.684 15.071 ( 2.707 -1.084 9.796) 10.221 15.381 ( 7.701 4.793 -10.598) 13.950 15.811 ( -9.863 -1.346 0.749) 9.982 16.271 ( 2.023 1.477 -6.174) 6.663 16.974 ( 10.451 0.268 1.839) 10.615 17.645 ( 0.282 -4.130 -1.154) 4.297 18.148 ( -2.227 -0.424 2.692) 3.519 18.753 ( -5.550 -0.826 -1.641) 5.846 ======================= Grid point 528 (260/337) ======================= q-point: (-0.20 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 2.938 5.120 7.783) 9.769 1.789 ( -2.760 7.764 6.478) 10.482 2.695 ( -9.074 2.474 4.606) 10.473 2.881 ( -6.437 -2.100 3.716) 7.724 3.086 ( 5.687 -0.718 -8.171) 9.981 3.435 ( -3.399 -7.040 -9.388) 12.216 3.635 ( -2.251 -5.595 3.850) 7.155 3.873 ( -4.201 7.833 4.463) 9.946 4.163 ( -8.173 -0.322 -2.255) 8.484 4.625 ( 1.687 3.675 -6.588) 7.730 5.104 ( 9.176 -6.875 14.765) 18.694 5.647 ( 5.533 -1.186 3.104) 6.454 5.906 ( 3.801 0.126 -1.950) 4.274 6.191 ( 3.442 -2.405 -0.340) 4.213 7.515 ( 0.485 -0.793 6.453) 6.520 7.745 ( 6.663 -1.111 -2.251) 7.120 8.384 ( -0.340 2.691 7.165) 7.662 8.938 ( -7.617 -9.303 4.055) 12.689 9.127 ( 8.663 -2.775 -7.027) 11.495 9.369 ( 2.084 -2.025 5.478) 6.201 9.790 ( -8.128 5.945 17.221) 19.949 10.442 ( 1.297 -0.949 7.124) 7.303 10.567 ( -0.134 14.656 -2.711) 14.905 11.343 ( -1.518 -8.963 7.349) 11.689 11.695 ( -4.861 9.875 2.562) 11.301 12.555 ( -0.804 -1.921 5.507) 5.887 13.023 ( -2.518 -3.930 8.055) 9.310 13.488 ( -1.042 -3.075 -21.593) 21.836 15.197 ( 8.167 -2.215 -3.803) 9.278 15.361 ( 6.333 6.826 -0.416) 9.320 15.690 ( -10.584 -2.484 0.381) 10.878 16.193 ( -0.181 1.674 -7.134) 7.329 17.150 ( 11.830 -0.446 1.930) 11.994 17.658 ( -0.962 -2.802 -1.514) 3.327 18.162 ( -3.597 -1.405 4.940) 6.270 18.645 ( -6.476 -0.456 -3.250) 7.260 ======================= Grid point 529 (261/337) ======================= q-point: (-0.10 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -0.088 4.142 6.487) 7.698 1.915 ( 9.003 0.787 5.829) 10.754 2.608 ( -8.629 0.917 4.534) 9.790 2.860 ( -6.094 -1.964 5.264) 8.289 3.109 ( 10.169 1.286 -7.130) 12.486 3.327 ( -3.963 -2.877 -6.672) 8.276 3.681 ( -2.270 -2.872 0.932) 3.777 3.764 ( -6.189 2.115 -4.714) 8.063 4.096 ( -2.704 1.527 6.358) 7.076 4.534 ( -0.002 2.138 -6.438) 6.784 5.422 ( 5.417 -6.485 12.528) 15.111 5.694 ( -4.110 3.065 6.894) 8.592 5.972 ( 6.443 -1.910 -2.630) 7.217 6.231 ( 4.349 -1.753 -5.212) 7.010 7.598 ( -3.093 0.036 9.478) 9.970 7.848 ( 10.807 -1.405 -3.283) 11.382 8.453 ( -1.316 1.074 9.867) 10.012 8.936 ( -10.925 -5.353 7.493) 14.288 9.148 ( 6.352 -0.634 -9.934) 11.808 9.412 ( -2.402 -2.055 -0.771) 3.253 9.856 ( -5.315 4.319 18.305) 19.544 10.449 ( 1.129 7.271 -0.574) 7.381 10.647 ( 12.479 0.501 9.777) 15.860 11.383 ( -8.656 -3.643 -1.048) 9.449 11.674 ( 0.875 3.874 11.387) 12.060 12.559 ( -8.297 -0.613 1.834) 8.519 13.068 ( -7.147 -1.704 7.207) 10.292 13.307 ( 7.808 -1.948 -19.411) 21.013 15.265 ( 12.734 -0.851 -10.032) 16.233 15.357 ( -6.532 2.669 2.204) 7.393 15.634 ( 0.837 -0.825 2.331) 2.610 16.080 ( -2.197 1.230 -7.523) 7.933 17.339 ( 11.317 -0.939 1.970) 11.526 17.626 ( -4.816 -1.207 -0.638) 5.006 18.182 ( -3.584 -0.669 5.782) 6.835 18.528 ( -4.563 -0.309 -4.119) 6.155 ======================= Grid point 531 (262/337) ======================= q-point: ( 0.10 0.10 -0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -1.143 0.000 -1.702) 2.050 1.997 ( 1.519 -0.000 -12.935) 13.024 2.728 ( 2.865 -0.000 9.354) 9.783 3.024 ( 11.678 -0.000 -10.058) 15.412 3.193 ( -0.401 0.000 -6.762) 6.774 3.229 ( -1.997 0.000 1.138) 2.298 3.450 ( -1.635 0.000 14.322) 14.415 3.742 ( 7.808 -0.000 3.243) 8.455 4.280 ( -0.603 0.000 -6.523) 6.550 4.398 ( 2.118 -0.000 4.516) 4.988 5.679 ( -7.342 0.000 5.347) 9.083 5.719 ( -9.965 0.000 6.881) 12.110 5.808 ( -8.797 0.000 -0.015) 8.797 6.094 ( 4.746 -0.000 -13.140) 13.971 7.519 ( -10.127 0.000 7.429) 12.560 8.008 ( 2.150 -0.000 -12.016) 12.207 8.570 ( -14.912 0.000 18.466) 23.735 8.690 ( -6.932 0.000 -10.363) 12.468 9.212 ( 0.058 -0.000 -5.054) 5.055 9.281 ( 1.571 -0.000 11.475) 11.582 10.243 ( -1.509 0.000 10.383) 10.493 10.450 ( 9.886 -0.000 -14.425) 17.488 10.727 ( -7.873 0.000 -4.030) 8.845 11.328 ( 0.579 -0.000 6.980) 7.004 11.916 ( -7.584 0.000 -9.202) 11.924 12.569 ( 14.744 -0.000 20.067) 24.901 12.801 ( -10.255 0.000 0.464) 10.266 13.387 ( 6.255 -0.000 -7.656) 9.886 14.776 ( -17.506 0.000 5.434) 18.330 15.587 ( 6.295 -0.000 -6.271) 8.885 15.757 ( 5.885 -0.000 -3.211) 6.704 16.048 ( 9.432 -0.000 -0.714) 9.459 17.198 ( -13.757 0.000 0.567) 13.769 17.644 ( -0.424 0.000 0.526) 0.676 18.392 ( 3.773 -0.000 -4.571) 5.927 18.422 ( 4.733 -0.000 6.948) 8.406 ======================= Grid point 532 (263/337) ======================= q-point: ( 0.20 0.10 -0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -1.259 -1.685 -4.124) 4.629 1.900 ( 0.311 -3.728 -9.283) 10.008 2.830 ( -0.656 0.217 3.151) 3.226 3.014 ( 7.585 4.257 -7.416) 11.430 3.186 ( 5.370 -5.524 -4.599) 8.973 3.236 ( -1.236 2.962 5.271) 6.171 3.630 ( 4.013 1.875 14.893) 15.538 3.848 ( 3.018 -0.475 -1.595) 3.446 4.238 ( 2.073 -0.400 -1.249) 2.453 4.464 ( 0.023 -2.612 2.547) 3.649 5.534 ( -2.952 3.060 -13.278) 13.942 5.578 ( -15.301 2.347 1.339) 15.537 5.760 ( -11.273 3.242 15.543) 19.472 6.039 ( 5.955 -0.552 -8.759) 10.606 7.491 ( -7.078 -1.683 7.223) 10.252 7.844 ( -3.571 -0.241 -13.817) 14.273 8.506 ( -6.201 -2.323 -6.651) 9.385 8.577 ( -14.860 -0.165 17.478) 22.942 9.120 ( -3.150 3.711 -3.921) 6.250 9.357 ( -4.886 1.980 6.572) 8.426 10.347 ( -1.253 -4.207 6.660) 7.976 10.419 ( 10.985 4.227 -12.842) 17.419 10.643 ( 2.206 -2.287 -5.715) 6.539 11.391 ( -3.861 -1.270 6.380) 7.565 11.742 ( -5.055 -2.769 -6.287) 8.529 12.643 ( -12.030 0.853 2.011) 12.226 13.012 ( 18.743 0.725 13.977) 23.392 13.345 ( 2.163 0.671 -8.604) 8.897 14.637 ( -16.708 -0.340 11.503) 20.288 15.539 ( 1.180 -1.599 -8.363) 8.596 15.881 ( 12.134 0.836 -0.349) 12.168 16.149 ( 7.181 -0.451 -1.935) 7.451 17.020 ( -11.935 1.079 0.384) 11.990 17.619 ( -3.625 -0.269 0.266) 3.645 18.384 ( 3.865 2.071 -4.713) 6.437 18.570 ( 4.806 -0.449 6.623) 8.196 ======================= Grid point 533 (264/337) ======================= q-point: ( 0.30 0.10 -0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -0.681 -3.191 -7.076) 7.792 1.890 ( 0.523 -6.291 0.721) 6.354 2.803 ( -1.756 -0.252 -0.972) 2.023 3.017 ( 4.351 -2.592 -7.543) 9.086 3.240 ( 1.622 5.310 3.380) 6.500 3.303 ( 3.986 0.327 6.246) 7.417 3.764 ( -0.319 1.854 -7.119) 7.363 3.863 ( 2.579 0.109 13.111) 13.363 4.284 ( 1.331 2.502 2.769) 3.962 4.517 ( -0.303 -7.158 0.675) 7.196 5.296 ( -17.377 4.477 -3.162) 18.221 5.332 ( 3.003 4.075 -16.240) 17.011 5.772 ( -8.185 4.530 15.872) 18.424 6.054 ( 4.546 -0.735 -3.333) 5.685 7.511 ( -4.277 -2.547 4.821) 6.929 7.644 ( -3.950 -1.891 -11.160) 11.989 8.414 ( -3.736 -5.942 -3.680) 7.925 8.567 ( -14.431 1.228 16.634) 22.055 8.999 ( -3.601 4.008 -1.818) 5.687 9.270 ( -11.085 1.823 1.483) 11.331 10.341 ( 7.221 9.268 -10.602) 15.826 10.439 ( -0.276 -4.909 2.508) 5.520 10.687 ( 6.577 -3.094 -3.507) 8.071 11.345 ( -5.637 4.862 0.484) 7.460 11.753 ( 0.621 -12.404 1.731) 12.540 12.507 ( -8.722 0.871 1.185) 8.845 13.154 ( -0.825 7.483 -7.887) 10.904 13.450 ( 14.225 -4.104 6.902) 16.335 14.599 ( -14.167 -0.885 18.475) 23.299 15.486 ( 2.576 -2.989 -8.985) 9.813 16.020 ( 10.917 2.847 -1.377) 11.366 16.209 ( 4.307 -1.115 -2.094) 4.917 16.877 ( -7.396 1.404 0.344) 7.536 17.567 ( -5.618 -1.752 0.491) 5.906 18.350 ( 3.074 3.673 -5.181) 7.055 18.699 ( 2.972 -0.357 5.762) 6.493 ======================= Grid point 534 (265/337) ======================= q-point: (-0.60 0.10 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.960 0.391 -4.727) 4.839 2.002 ( -2.439 -6.483 8.890) 11.270 2.803 ( 1.058 -0.755 0.715) 1.483 2.984 ( -1.451 -7.339 -9.120) 11.796 3.256 ( 3.356 8.776 3.341) 9.972 3.398 ( 1.766 1.603 3.727) 4.425 3.625 ( -7.404 -2.273 -4.420) 8.917 4.060 ( 6.229 1.725 10.896) 12.669 4.249 ( -5.303 3.534 1.567) 6.563 4.593 ( 0.917 -7.857 -1.751) 8.101 4.978 ( -16.928 5.757 -0.749) 17.896 5.228 ( 12.840 2.624 -15.812) 20.537 5.811 ( -5.125 2.702 12.396) 13.683 6.083 ( 2.126 0.026 -0.660) 2.226 7.437 ( -3.677 -1.284 -6.323) 7.426 7.624 ( 0.189 -4.254 2.551) 4.964 8.418 ( -3.095 -3.541 3.311) 5.751 8.553 ( -8.363 -1.301 10.724) 13.662 8.931 ( -2.061 2.239 1.614) 3.445 9.092 ( -13.474 -1.560 -0.845) 13.590 10.200 ( 1.910 8.090 -10.626) 13.491 10.519 ( -0.014 -4.569 3.899) 6.006 10.739 ( 4.148 2.757 -1.468) 5.192 11.234 ( -0.975 6.802 -0.803) 6.918 11.954 ( 2.950 -14.736 5.390) 15.966 12.429 ( -4.742 -0.345 2.056) 5.181 12.921 ( -5.934 8.932 -9.772) 14.508 13.692 ( 7.378 -3.820 1.203) 8.395 14.692 ( -8.149 -1.104 22.822) 24.258 15.455 ( 4.331 -3.457 -10.098) 11.519 16.061 ( 3.814 5.216 -3.395) 7.299 16.260 ( 4.858 -1.591 -1.778) 5.413 16.815 ( -0.246 1.231 0.260) 1.283 17.519 ( -6.497 -4.296 1.381) 7.911 18.288 ( 1.937 4.313 -5.284) 7.090 18.780 ( 0.076 -0.260 4.159) 4.168 ======================= Grid point 535 (266/337) ======================= q-point: (-0.50 0.10 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 3.247 4.442 1.109) 5.613 2.099 ( -6.434 -0.700 11.957) 13.597 2.829 ( -3.060 0.926 4.457) 5.485 2.925 ( -3.303 -8.016 -6.306) 10.721 3.200 ( 1.649 5.747 -7.989) 9.979 3.423 ( 1.760 2.436 1.252) 3.256 3.536 ( -8.293 -6.113 -0.156) 10.303 4.132 ( -8.886 2.835 4.952) 10.560 4.269 ( 10.671 1.642 3.433) 11.329 4.580 ( -9.140 -5.840 -0.904) 10.884 4.790 ( -4.135 4.364 2.533) 6.524 5.271 ( 16.903 -0.173 -11.277) 20.320 5.860 ( -2.007 -0.429 6.243) 6.572 6.093 ( -0.361 0.392 0.843) 0.997 7.374 ( -0.090 -1.403 -1.962) 2.413 7.686 ( 0.284 -2.597 1.290) 2.913 8.413 ( -8.229 3.921 10.732) 14.081 8.660 ( 4.770 -7.595 3.216) 9.528 8.880 ( -8.253 -4.214 -1.507) 9.388 9.019 ( -2.386 -2.956 7.291) 8.222 10.033 ( -2.324 4.737 -7.443) 9.123 10.552 ( -4.652 1.352 2.701) 5.547 10.771 ( 5.384 3.578 3.923) 7.562 11.191 ( 4.430 7.847 -0.526) 9.026 12.138 ( -2.347 -6.976 4.721) 8.744 12.420 ( -1.494 -0.856 0.367) 1.761 12.689 ( -4.147 3.467 -2.384) 5.908 13.740 ( -1.842 -4.694 -5.351) 7.353 14.882 ( -1.964 -0.371 19.873) 19.974 15.434 ( 6.130 -2.496 -10.722) 12.600 15.975 ( -3.374 5.187 -3.070) 6.908 16.307 ( 4.916 -0.009 -3.871) 6.258 16.856 ( 6.760 0.818 0.352) 6.818 17.505 ( -5.912 -7.017 2.459) 9.499 18.215 ( 0.629 3.481 -4.230) 5.514 18.797 ( -3.082 -0.195 1.890) 3.621 ======================= Grid point 536 (267/337) ======================= q-point: (-0.40 0.10 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 4.590 6.972 6.090) 10.333 2.091 ( -7.657 8.152 9.219) 14.494 2.803 ( -11.931 -6.129 6.645) 14.969 2.868 ( -6.584 0.643 -0.174) 6.618 3.099 ( 5.886 1.527 -9.802) 11.534 3.399 ( -3.320 -5.116 -7.871) 9.958 3.507 ( -0.701 -1.966 1.707) 2.696 4.062 ( -6.294 5.107 7.068) 10.754 4.291 ( -4.167 -0.754 -6.930) 8.121 4.647 ( 4.416 -6.248 10.235) 12.778 4.762 ( -0.074 3.083 1.124) 3.283 5.419 ( 15.799 -2.853 -5.207) 16.878 5.895 ( 0.181 -1.977 -0.203) 1.995 6.099 ( -0.629 -0.955 1.572) 1.944 7.407 ( 1.486 -1.395 3.293) 3.873 7.705 ( 0.774 -0.417 -0.580) 1.053 8.404 ( -5.521 3.258 10.199) 12.047 8.744 ( -8.800 -8.026 3.165) 12.324 8.907 ( 7.310 -8.312 -1.857) 11.224 9.170 ( 4.168 -3.103 9.498) 10.827 9.905 ( -3.901 1.925 -1.206) 4.514 10.480 ( -4.404 7.957 5.965) 10.876 10.880 ( 6.286 3.244 2.876) 7.636 11.182 ( 3.464 8.692 2.614) 9.715 12.050 ( -9.788 7.117 -0.945) 12.139 12.425 ( -0.422 -2.527 3.462) 4.307 12.758 ( 1.691 -8.118 6.598) 10.597 13.624 ( -6.525 -5.181 -11.798) 14.444 15.062 ( 2.205 0.059 10.420) 10.651 15.431 ( 7.738 0.136 -7.687) 10.908 15.826 ( -7.958 3.643 -2.202) 9.024 16.298 ( 3.057 1.479 -6.009) 6.902 16.978 ( 10.507 0.286 0.636) 10.530 17.534 ( -4.100 -8.164 2.364) 9.437 18.157 ( -0.828 1.348 -1.548) 2.214 18.744 ( -5.700 -0.103 -0.538) 5.726 ======================= Grid point 537 (268/337) ======================= q-point: (-0.30 0.10 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 4.682 6.169 7.662) 10.894 1.980 ( -5.490 12.478 5.255) 14.610 2.744 ( -8.429 0.829 -0.337) 8.477 2.781 ( -13.993 -7.015 10.281) 18.727 3.108 ( 9.686 2.766 -5.835) 11.641 3.298 ( -2.981 -8.330 -10.550) 13.768 3.562 ( 2.149 -1.680 2.232) 3.525 3.985 ( -5.606 3.750 -2.340) 7.139 4.165 ( -7.337 1.460 3.244) 8.154 4.696 ( 1.598 3.558 -5.789) 6.980 4.954 ( 5.839 -9.140 13.225) 17.104 5.608 ( 10.496 -3.380 0.665) 11.047 5.897 ( 0.966 -1.787 -3.103) 3.709 6.133 ( 2.028 -3.270 -0.815) 3.933 7.497 ( 0.329 -1.409 7.436) 7.575 7.728 ( 4.025 -0.745 -1.182) 4.261 8.430 ( -3.657 2.089 9.321) 10.229 8.746 ( -10.453 -11.240 5.898) 16.443 9.049 ( 7.262 -6.029 -3.461) 10.053 9.324 ( 3.460 -2.732 1.445) 4.640 9.894 ( -0.793 4.210 9.978) 10.859 10.477 ( 0.912 6.276 10.247) 12.051 10.865 ( 4.624 15.850 -4.163) 17.028 11.232 ( -0.902 -1.204 8.952) 9.077 11.856 ( -7.270 8.106 1.497) 10.991 12.506 ( -0.839 -3.444 5.829) 6.822 12.920 ( -1.337 -7.641 7.470) 10.769 13.414 ( -4.903 -5.072 -17.686) 19.041 15.174 ( 7.136 -0.456 -1.634) 7.335 15.477 ( 8.146 4.429 -0.363) 9.280 15.652 ( -11.488 -0.041 -1.497) 11.585 16.232 ( 1.040 2.499 -7.386) 7.867 17.139 ( 10.649 -0.829 1.326) 10.763 17.575 ( -2.555 -6.679 0.545) 7.172 18.139 ( -2.010 -0.903 2.149) 3.078 18.640 ( -6.807 -0.082 -2.462) 7.239 ======================= Grid point 538 (269/337) ======================= q-point: (-0.20 0.10 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -1.512 9.961 4.317) 10.961 1.941 ( 6.108 2.109 5.066) 8.211 2.634 ( -8.114 1.678 3.039) 8.826 2.786 ( -7.840 -6.198 7.030) 12.219 3.149 ( 7.771 2.038 -5.864) 9.946 3.251 ( 0.929 -4.006 -3.765) 5.575 3.624 ( 2.254 -2.890 -1.328) 3.898 3.793 ( -9.633 0.493 -7.668) 12.322 4.149 ( -2.469 4.394 8.831) 10.168 4.598 ( -0.285 4.401 -6.308) 7.697 5.253 ( 3.248 -11.432 11.334) 16.423 5.746 ( 1.395 1.502 6.541) 6.855 5.905 ( 3.313 -5.436 -5.312) 8.290 6.179 ( 3.849 -3.491 -4.098) 6.617 7.594 ( -2.468 -0.886 9.372) 9.732 7.809 ( 8.156 -2.743 -2.084) 8.853 8.476 ( -4.049 1.007 10.420) 11.224 8.785 ( -10.155 -10.320 8.913) 17.002 9.117 ( 5.341 -3.290 -7.278) 9.609 9.351 ( -0.879 -4.101 -3.719) 5.605 9.991 ( 0.541 9.952 16.011) 18.859 10.611 ( 2.625 5.762 8.731) 10.786 10.733 ( 9.851 13.242 -1.807) 16.603 11.302 ( -7.135 -3.973 4.783) 9.464 11.771 ( -1.675 6.217 7.191) 9.652 12.537 ( -7.585 -1.845 2.639) 8.240 13.007 ( -6.423 -5.095 7.143) 10.873 13.242 ( 5.357 -5.211 -17.743) 19.253 15.250 ( 11.522 -0.561 -7.120) 13.556 15.426 ( -10.888 4.338 -0.663) 11.739 15.612 ( 5.266 -0.991 2.872) 6.080 16.120 ( -0.748 3.101 -8.120) 8.724 17.306 ( 7.935 -2.775 2.579) 8.793 17.583 ( -2.485 -3.662 -1.261) 4.601 18.162 ( -2.218 -1.411 4.910) 5.570 18.520 ( -5.312 -0.442 -3.678) 6.476 ======================= Grid point 539 (270/337) ======================= q-point: (-0.10 0.10 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 0.300 4.680 4.018) 6.175 2.070 ( 9.611 -0.682 -2.233) 9.891 2.566 ( -6.830 1.181 6.074) 9.216 2.843 ( 1.335 -4.180 2.598) 5.100 3.156 ( 1.580 -1.896 -1.804) 3.058 3.293 ( 6.113 4.350 0.332) 7.510 3.561 ( -10.343 -2.055 -6.559) 12.419 3.642 ( 1.347 -0.488 -4.611) 4.828 4.207 ( 0.834 2.937 8.688) 9.209 4.481 ( -0.872 3.383 -6.255) 7.165 5.487 ( -2.163 -10.924 11.026) 15.671 5.773 ( -4.160 4.938 8.184) 10.424 5.946 ( 1.809 -6.735 -5.121) 8.652 6.197 ( 3.871 -2.589 -6.969) 8.382 7.632 ( -7.280 0.531 8.367) 11.103 7.939 ( 11.192 -3.344 -4.241) 12.427 8.530 ( -8.506 -0.580 13.860) 16.273 8.870 ( -3.889 -7.450 9.902) 12.987 9.088 ( 0.716 -0.378 -7.914) 7.956 9.306 ( -1.507 -3.600 -6.437) 7.527 10.079 ( -0.980 10.477 16.241) 19.352 10.536 ( 3.181 9.541 -4.044) 10.840 10.958 ( 14.219 1.189 8.280) 16.497 11.184 ( -13.451 -1.248 -2.583) 13.754 11.881 ( 4.485 2.575 14.674) 15.558 12.381 ( -11.551 -0.216 -6.145) 13.086 13.001 ( -10.073 -3.004 5.770) 11.990 13.259 ( 12.054 -4.166 -10.366) 16.435 15.209 ( -15.486 1.420 -0.493) 15.559 15.350 ( 13.902 -0.237 -6.456) 15.329 15.749 ( 8.185 -0.225 2.806) 8.655 15.980 ( -1.477 3.386 -8.217) 9.009 17.434 ( -3.073 -5.766 3.891) 7.604 17.557 ( 2.084 0.859 -2.133) 3.104 18.211 ( -0.886 -0.492 6.089) 6.173 18.433 ( -1.414 -0.986 -4.347) 4.676 ======================= Grid point 542 (271/337) ======================= q-point: ( 0.20 0.20 -0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 1.272 -0.000 -4.163) 4.353 1.827 ( 1.565 -0.000 -3.237) 3.595 2.800 ( -1.809 0.000 -2.888) 3.408 2.984 ( 1.698 -0.000 -9.445) 9.597 3.279 ( 10.242 -0.000 2.835) 10.627 3.332 ( -3.211 0.000 11.831) 12.260 3.768 ( -4.216 0.000 -8.504) 9.492 3.875 ( 5.084 -0.000 14.648) 15.505 4.318 ( 6.424 -0.000 2.530) 6.905 4.435 ( -4.519 0.000 0.167) 4.522 5.337 ( -18.688 0.000 -2.287) 18.827 5.368 ( 3.684 -0.000 -17.786) 18.164 5.821 ( -10.737 0.000 17.396) 20.443 6.041 ( 6.907 -0.000 -6.337) 9.374 7.490 ( -3.951 0.000 7.159) 8.177 7.624 ( -5.359 0.000 -12.138) 13.269 8.358 ( -3.741 0.000 -3.649) 5.225 8.578 ( -14.457 0.000 17.138) 22.422 9.035 ( -5.164 0.000 -2.337) 5.668 9.284 ( -12.714 0.000 0.904) 12.747 10.396 ( 8.071 -0.000 -19.329) 20.946 10.397 ( 0.297 -0.000 5.283) 5.291 10.701 ( 11.658 -0.000 0.536) 11.671 11.404 ( -6.791 0.000 9.157) 11.401 11.613 ( -1.060 0.000 -4.626) 4.745 12.515 ( -9.226 0.000 1.043) 9.285 13.232 ( -2.402 0.000 -10.374) 10.648 13.401 ( 15.624 -0.000 10.125) 18.617 14.591 ( -14.322 0.000 18.536) 23.425 15.459 ( 3.088 -0.000 -9.378) 9.873 16.048 ( 11.739 -0.000 -0.312) 11.743 16.196 ( 3.784 -0.000 -2.701) 4.649 16.890 ( -7.357 0.000 -0.174) 7.359 17.550 ( -6.693 0.000 0.555) 6.716 18.384 ( 3.074 -0.000 -5.448) 6.256 18.696 ( 2.951 -0.000 6.138) 6.810 ======================= Grid point 543 (272/337) ======================= q-point: ( 0.30 0.20 -0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 4.742 3.539 -0.594) 5.947 1.885 ( 1.810 -5.891 4.742) 7.776 2.770 ( 1.973 -1.703 -2.331) 3.497 2.890 ( -1.483 -2.777 -9.260) 9.781 3.383 ( -6.543 4.163 11.066) 13.513 3.434 ( 4.483 1.499 3.458) 5.857 3.597 ( -4.821 -0.608 -7.397) 8.850 4.080 ( 2.005 0.376 12.519) 12.684 4.322 ( -3.552 4.352 -0.598) 5.649 4.454 ( 2.339 -6.772 -1.207) 7.266 5.054 ( -17.462 2.368 -0.496) 17.629 5.261 ( 12.546 0.975 -19.131) 22.899 5.850 ( -9.109 1.393 12.746) 15.729 6.071 ( 4.839 -0.849 -3.796) 6.208 7.445 ( -3.550 1.495 -5.387) 6.622 7.553 ( -0.859 -3.204 5.377) 6.318 8.344 ( 2.374 -2.888 0.960) 3.859 8.564 ( -13.940 0.908 15.152) 20.609 8.955 ( -4.037 0.645 0.637) 4.138 9.064 ( -16.971 -1.111 -2.611) 17.206 10.239 ( 2.429 -0.582 -20.086) 20.240 10.463 ( 0.176 -1.711 4.406) 4.729 10.881 ( 13.683 7.879 3.947) 16.275 11.369 ( -4.629 8.155 5.840) 11.047 11.682 ( 3.130 -13.865 2.676) 14.463 12.426 ( -6.292 -0.082 2.184) 6.660 13.038 ( -5.409 3.693 -11.089) 12.879 13.639 ( 5.999 -1.825 2.854) 6.889 14.679 ( -8.390 -0.351 23.949) 25.379 15.410 ( 5.224 -1.387 -10.506) 11.815 16.150 ( 4.566 4.590 -2.777) 7.044 16.219 ( 5.216 -3.078 -1.977) 6.371 16.830 ( -0.034 0.464 -0.688) 0.830 17.461 ( -8.773 -1.865 1.469) 9.089 18.343 ( 1.699 1.663 -6.098) 6.545 18.780 ( -0.026 0.066 4.798) 4.799 ======================= Grid point 544 (273/337) ======================= q-point: (-0.60 0.20 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 6.170 6.759 3.859) 9.932 2.043 ( -0.991 -5.191 11.397) 12.563 2.784 ( -4.010 -3.657 -7.473) 9.236 2.834 ( 4.618 -3.320 0.317) 5.696 3.270 ( -8.310 2.525 -5.406) 10.230 3.401 ( -11.756 -4.048 2.040) 12.599 3.573 ( 4.706 7.785 2.796) 9.516 4.162 ( -6.124 0.332 5.414) 8.181 4.307 ( 6.102 2.099 3.399) 7.293 4.463 ( -5.445 -6.113 -3.855) 9.048 4.861 ( -8.727 3.206 3.860) 10.067 5.264 ( 17.205 -0.578 -16.160) 23.611 5.846 ( -6.253 -0.997 5.860) 8.627 6.091 ( 2.159 -0.339 -2.138) 3.057 7.373 ( -1.244 0.878 0.271) 1.547 7.638 ( 0.439 -2.486 4.566) 5.218 8.464 ( -0.856 0.826 9.025) 9.103 8.551 ( -3.184 -3.386 7.739) 9.028 8.808 ( -15.519 -3.225 -2.689) 16.077 8.969 ( -1.547 -2.453 5.744) 6.435 10.042 ( -0.857 -1.520 -17.050) 17.139 10.531 ( -0.098 -2.267 4.178) 4.755 10.994 ( 8.079 16.807 8.750) 20.599 11.330 ( 3.910 7.674 2.263) 8.905 11.924 ( 2.335 -15.510 6.774) 17.085 12.396 ( -3.431 -1.216 3.031) 4.736 12.787 ( -6.859 5.587 -9.298) 12.834 13.665 ( -4.854 -3.464 -2.697) 6.545 14.880 ( -2.760 0.069 22.555) 22.724 15.386 ( 7.008 -2.381 -11.268) 13.481 16.072 ( -3.004 4.968 -3.161) 6.610 16.299 ( 6.991 -0.788 -3.977) 8.081 16.868 ( 7.485 0.553 -1.070) 7.581 17.391 ( -9.370 -5.193 3.150) 11.166 18.268 ( 0.320 2.257 -6.065) 6.480 18.799 ( -3.277 0.333 2.807) 4.328 ======================= Grid point 545 (274/337) ======================= q-point: (-0.50 0.20 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 5.217 7.776 6.731) 11.532 2.176 ( -3.860 0.801 13.258) 13.831 2.676 ( -7.539 -4.442 -3.655) 9.483 2.893 ( -7.652 -0.340 5.411) 9.378 3.113 ( 4.454 -0.032 -9.657) 10.634 3.269 ( -10.453 -7.159 -5.884) 13.969 3.583 ( 3.058 7.642 1.966) 8.463 4.122 ( -6.483 1.549 4.453) 8.016 4.289 ( -4.235 0.749 -5.583) 7.047 4.529 ( 3.804 -6.755 7.769) 10.976 4.812 ( -1.982 2.596 2.651) 4.207 5.365 ( 16.193 -3.262 -9.736) 19.174 5.838 ( -2.842 -3.828 0.071) 4.768 6.093 ( 1.034 0.330 -0.839) 1.372 7.390 ( -0.408 -0.726 4.244) 4.325 7.695 ( 0.230 -0.680 2.016) 2.140 8.450 ( -11.206 1.472 12.040) 16.514 8.628 ( -11.176 -4.464 2.418) 12.275 8.757 ( 7.795 -7.849 0.651) 11.081 9.111 ( 5.439 -3.316 8.815) 10.875 9.888 ( 0.051 -2.196 -9.817) 10.059 10.588 ( -0.001 1.436 5.259) 5.452 11.025 ( 1.694 15.972 12.139) 20.132 11.378 ( 10.903 10.515 0.042) 15.147 12.077 ( -5.771 -5.161 3.671) 8.568 12.398 ( -2.384 -0.683 1.948) 3.153 12.640 ( -1.718 -3.705 0.750) 4.152 13.532 ( -10.423 -4.854 -7.678) 13.826 15.072 ( 0.074 0.968 14.042) 14.076 15.396 ( 7.647 -3.237 -8.401) 11.812 15.924 ( -5.847 6.333 -3.135) 9.171 16.321 ( 4.990 0.992 -6.441) 8.208 16.986 ( 11.239 0.590 -0.843) 11.286 17.379 ( -7.338 -8.635 4.224) 12.093 18.185 ( -0.769 1.533 -4.494) 4.810 18.750 ( -5.975 0.589 0.503) 6.025 ======================= Grid point 546 (275/337) ======================= q-point: (-0.40 0.20 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 2.056 6.262 6.422) 9.203 2.194 ( -4.302 10.535 7.602) 13.685 2.601 ( -9.360 -8.745 2.086) 12.978 2.782 ( -13.347 0.033 5.311) 14.365 3.145 ( -1.365 -6.701 -10.034) 12.143 3.163 ( 8.648 1.267 -2.287) 9.035 3.582 ( 3.173 3.045 -0.866) 4.482 3.999 ( -9.717 -0.762 -5.671) 11.276 4.226 ( -2.751 4.497 6.716) 8.538 4.704 ( 4.724 -4.797 -3.603) 7.636 4.833 ( 0.166 -2.182 9.451) 9.701 5.526 ( 11.821 -5.832 -3.520) 13.643 5.836 ( -0.350 -4.372 -3.106) 5.374 6.103 ( 1.745 -0.144 -0.458) 1.810 7.459 ( -0.902 -2.827 6.381) 7.037 7.715 ( 1.015 -0.882 -0.087) 1.348 8.445 ( -9.276 -1.198 11.771) 15.034 8.580 ( -9.774 -6.031 6.907) 13.401 8.922 ( 5.257 -7.899 -0.521) 9.503 9.282 ( 6.613 -1.906 -1.639) 7.075 9.921 ( 7.831 -0.477 5.452) 9.554 10.630 ( 1.186 7.657 8.755) 11.691 11.046 ( -0.386 8.904 8.040) 12.003 11.389 ( 6.748 15.795 0.087) 17.177 11.970 ( -8.804 4.258 1.202) 9.853 12.439 ( -1.311 -3.791 5.668) 6.944 12.760 ( -0.230 -10.050 6.167) 11.793 13.317 ( -9.686 -5.622 -12.843) 17.040 15.179 ( 4.656 0.988 1.622) 5.029 15.465 ( 4.701 -4.126 -1.061) 6.345 15.738 ( -6.938 7.805 -2.517) 10.742 16.277 ( 3.100 2.443 -8.158) 9.062 17.124 ( 8.383 -0.666 0.988) 8.467 17.432 ( -1.977 -8.924 1.893) 9.334 18.131 ( -1.255 -0.084 -0.931) 1.565 18.644 ( -7.359 0.605 -1.584) 7.551 ======================= Grid point 547 (276/337) ======================= q-point: (-0.30 0.20 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 1.915 2.597 4.154) 5.260 2.078 ( -3.468 12.057 1.889) 12.688 2.620 ( -2.672 -6.386 1.445) 7.071 2.687 ( -12.872 -1.825 9.407) 16.046 3.104 ( 1.451 -5.326 -6.653) 8.645 3.266 ( 8.814 3.701 2.472) 9.874 3.588 ( 4.164 -1.439 -6.834) 8.131 3.789 ( -10.451 0.156 -5.768) 11.938 4.242 ( -1.470 5.620 8.423) 10.232 4.665 ( -0.053 2.406 -6.255) 6.702 5.047 ( 2.027 -11.075 10.155) 15.162 5.688 ( 6.176 -8.818 -2.120) 10.973 5.833 ( -0.134 -1.400 -1.175) 1.833 6.130 ( 2.650 -1.729 -2.024) 3.756 7.553 ( -1.700 -3.874 7.500) 8.611 7.756 ( 3.742 -3.371 -1.257) 5.191 8.473 ( -8.862 -1.698 12.438) 15.366 8.620 ( -7.595 -6.993 10.466) 14.701 9.023 ( 2.822 -7.013 -3.210) 8.213 9.293 ( 3.326 -2.089 -8.859) 9.691 10.159 ( 11.102 7.738 13.677) 19.240 10.715 ( 4.424 7.527 12.245) 15.039 10.985 ( 0.272 10.940 -3.499) 11.489 11.316 ( -4.322 8.195 3.993) 10.089 11.879 ( -2.557 5.814 5.609) 8.473 12.495 ( -6.004 -2.880 3.988) 7.762 12.888 ( -4.699 -8.383 6.768) 11.754 13.132 ( 0.455 -6.976 -14.766) 16.337 15.247 ( 8.615 0.160 -3.856) 9.440 15.465 ( -10.241 -0.808 -2.907) 10.676 15.637 ( 4.984 4.460 3.353) 7.482 16.182 ( 1.805 3.784 -9.265) 10.169 17.243 ( 1.215 -4.260 4.354) 6.211 17.503 ( 3.585 -5.152 -3.098) 7.000 18.138 ( -0.710 -1.232 3.373) 3.660 18.516 ( -6.589 0.022 -3.084) 7.275 ======================= Grid point 548 (277/337) ======================= q-point: (-0.20 0.20 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -2.395 6.918 1.356) 7.445 2.064 ( 7.648 0.534 -0.707) 7.699 2.592 ( -5.971 1.483 4.688) 7.734 2.743 ( 0.357 -6.802 4.570) 8.203 3.112 ( 0.014 -2.709 -0.076) 2.710 3.393 ( 9.332 5.116 4.262) 11.464 3.495 ( -7.671 -4.230 -10.444) 13.631 3.650 ( 1.600 1.575 -6.007) 6.413 4.278 ( -0.566 4.763 8.631) 9.874 4.552 ( -1.445 3.966 -6.141) 7.452 5.276 ( -1.518 -12.557 10.599) 16.502 5.771 ( 1.492 -11.564 -9.452) 15.010 5.847 ( -2.273 2.488 7.851) 8.544 6.147 ( 1.976 -2.804 -4.485) 5.646 7.625 ( -4.791 -1.935 7.089) 8.772 7.855 ( 7.949 -5.975 -2.793) 10.329 8.509 ( -10.921 -1.819 14.689) 18.394 8.734 ( -2.777 -7.190 10.983) 13.417 9.045 ( 0.206 -4.552 -5.725) 7.317 9.242 ( 1.577 -2.928 -9.341) 9.915 10.320 ( 4.330 15.728 14.406) 21.764 10.741 ( -1.036 12.365 -3.204) 12.815 10.983 ( 9.091 1.055 6.643) 11.309 11.189 ( -9.131 3.094 -0.398) 9.649 11.945 ( 4.061 4.588 12.508) 13.929 12.378 ( -10.840 -0.074 -4.634) 11.789 12.922 ( -9.375 -5.885 5.726) 12.462 13.154 ( 10.771 -7.568 -9.043) 15.971 15.231 ( -14.674 0.626 -1.185) 14.735 15.356 ( 11.986 1.295 -5.010) 13.055 15.747 ( 5.425 0.056 3.829) 6.640 16.058 ( 2.105 5.086 -9.782) 11.225 17.316 ( -7.628 -7.316 6.227) 12.267 17.553 ( 7.181 -1.259 -5.352) 9.044 18.200 ( 0.478 -0.648 5.864) 5.919 18.412 ( -3.026 -1.295 -3.978) 5.163 ======================= Grid point 549 (278/337) ======================= q-point: (-0.10 0.20 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -1.237 3.133 0.898) 3.486 2.128 ( 8.232 1.835 -7.899) 11.556 2.604 ( -1.642 0.560 9.332) 9.492 2.863 ( 6.701 -5.362 -2.740) 9.009 3.153 ( -2.184 -1.824 5.434) 6.134 3.317 ( -6.522 -3.586 -4.984) 8.957 3.481 ( 4.765 8.378 -0.517) 9.652 3.629 ( 6.670 -1.109 -3.596) 7.659 4.330 ( -0.484 2.606 5.962) 6.525 4.437 ( -0.129 4.163 -4.319) 6.000 5.461 ( -5.894 -11.502 12.230) 17.794 5.747 ( -1.850 -7.079 -7.746) 10.655 5.864 ( -6.477 -0.521 5.771) 8.691 6.128 ( 1.620 -2.818 -7.370) 8.055 7.611 ( -8.156 1.157 6.090) 10.244 7.981 ( 8.615 -5.265 -6.233) 11.865 8.537 ( -13.390 -1.514 16.913) 21.625 8.864 ( -0.238 -3.385 -1.540) 3.726 9.021 ( -1.914 -5.034 3.441) 6.392 9.197 ( 1.511 -3.933 -6.228) 7.520 10.354 ( -0.556 14.896 12.306) 19.329 10.573 ( 1.256 6.880 -10.158) 12.333 10.926 ( -14.215 1.032 -0.908) 14.282 11.252 ( 10.711 3.207 4.949) 12.227 12.131 ( -6.329 0.237 -1.630) 6.540 12.210 ( 7.702 2.924 10.596) 13.422 12.878 ( -10.907 -3.926 3.529) 12.118 13.279 ( 10.283 -5.688 -6.643) 13.499 14.995 ( -17.166 1.157 0.972) 17.232 15.486 ( 13.620 0.369 -3.203) 13.997 15.811 ( -1.154 -0.309 -1.753) 2.121 15.980 ( 8.808 4.525 -5.363) 11.261 17.289 ( -12.960 -5.862 3.803) 14.723 17.606 ( 5.473 -0.723 -2.470) 6.048 18.285 ( 1.589 -0.623 5.220) 5.492 18.377 ( 2.137 -1.574 -3.030) 4.028 ======================= Grid point 553 (279/337) ======================= q-point: ( 0.30 0.30 -0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 6.818 -0.000 6.362) 9.325 1.948 ( 1.520 -0.000 8.819) 8.949 2.754 ( -1.757 0.000 -8.132) 8.319 2.796 ( 5.155 -0.000 -0.136) 5.157 3.299 ( -10.405 0.000 -8.406) 13.376 3.356 ( -15.089 0.000 6.877) 16.582 3.662 ( 6.877 -0.000 2.906) 7.466 4.157 ( -6.838 0.000 7.419) 10.090 4.324 ( 0.370 -0.000 4.691) 4.706 4.407 ( 0.541 -0.000 -7.411) 7.431 4.891 ( -10.242 0.000 4.292) 11.105 5.257 ( 17.312 -0.000 -18.429) 25.285 5.835 ( -8.244 0.000 5.610) 9.971 6.087 ( 3.712 -0.000 -3.038) 4.797 7.385 ( -2.300 0.000 0.521) 2.359 7.613 ( 0.839 -0.000 6.284) 6.339 8.452 ( 10.011 -0.000 4.164) 10.842 8.539 ( -15.052 0.000 14.001) 20.557 8.779 ( -16.986 0.000 -2.894) 17.231 8.944 ( -1.206 0.000 4.435) 4.596 10.024 ( 0.142 -0.000 -18.609) 18.609 10.508 ( 0.435 -0.000 4.427) 4.449 11.177 ( 16.546 -0.000 3.455) 16.903 11.450 ( -7.565 0.000 12.945) 14.993 11.708 ( 7.572 -0.000 3.091) 8.178 12.385 ( -4.464 0.000 3.537) 5.696 12.842 ( -6.665 0.000 -11.187) 13.022 13.631 ( -6.145 0.000 -1.515) 6.329 14.881 ( -3.265 0.000 23.938) 24.160 15.363 ( 7.517 -0.000 -12.042) 14.195 16.122 ( -4.162 0.000 -2.373) 4.791 16.288 ( 9.047 -0.000 -4.445) 10.080 16.873 ( 8.010 -0.000 -1.754) 8.199 17.342 ( -10.754 0.000 3.210) 11.223 18.289 ( 0.059 -0.000 -6.614) 6.614 18.803 ( -3.370 0.000 3.170) 4.627 ======================= Grid point 554 (280/337) ======================= q-point: (-0.60 0.30 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 2.826 6.929 8.085) 11.017 2.126 ( -0.894 -5.363 12.336) 13.481 2.661 ( -0.774 1.310 -4.881) 5.113 2.860 ( -5.910 -2.380 3.685) 7.360 3.108 ( 3.322 -0.255 -9.476) 10.045 3.180 ( -14.326 -2.602 -2.211) 14.728 3.707 ( -0.503 4.767 0.773) 4.855 4.125 ( -10.150 -0.596 6.970) 12.327 4.314 ( 0.241 1.682 -5.823) 6.066 4.426 ( 4.044 -4.032 4.005) 6.975 4.849 ( -3.803 1.258 4.260) 5.848 5.314 ( 15.941 -1.890 -13.060) 20.694 5.785 ( -3.954 -1.698 0.012) 4.303 6.101 ( 2.358 0.359 -1.462) 2.797 7.380 ( -2.443 -0.344 3.687) 4.436 7.685 ( -0.031 -0.332 3.878) 3.892 8.449 ( -17.483 -0.818 10.372) 20.344 8.598 ( -9.370 0.329 4.447) 10.377 8.652 ( 8.136 -3.538 2.222) 9.146 9.065 ( 7.373 -1.541 8.323) 11.225 9.858 ( 2.184 -0.965 -12.081) 12.315 10.579 ( 1.559 -0.833 5.234) 5.525 11.350 ( 4.291 16.783 10.086) 20.046 11.501 ( 7.317 2.200 4.999) 9.131 11.907 ( 1.666 -10.590 6.536) 12.555 12.382 ( -3.200 -0.861 4.059) 5.240 12.630 ( -5.666 0.942 -7.847) 9.724 13.466 ( -13.248 -2.175 -4.721) 14.231 15.089 ( -2.638 0.735 18.957) 19.154 15.345 ( 9.188 -1.838 -12.145) 15.340 16.014 ( -5.896 3.016 -2.052) 6.933 16.332 ( 7.088 0.298 -7.288) 10.171 16.999 ( 13.574 0.710 -2.549) 13.830 17.258 ( -10.594 -4.164 5.280) 12.548 18.205 ( -1.131 0.578 -5.840) 5.977 18.760 ( -6.229 0.378 1.134) 6.343 ======================= Grid point 555 (281/337) ======================= q-point: (-0.50 0.30 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -1.571 5.105 5.686) 7.801 2.279 ( -3.276 -2.239 13.580) 14.147 2.550 ( -6.696 4.543 -2.754) 8.547 2.754 ( -12.065 -3.072 2.620) 12.722 3.024 ( -2.970 -5.248 -7.930) 9.962 3.197 ( 12.320 1.194 -0.769) 12.402 3.625 ( -2.538 0.917 -4.709) 5.427 4.011 ( -11.312 2.688 1.149) 11.684 4.297 ( 1.461 3.336 3.344) 4.944 4.570 ( 5.046 -8.084 -0.526) 9.544 4.843 ( -1.855 1.439 4.105) 4.729 5.417 ( 10.101 -5.593 -6.909) 13.455 5.772 ( 1.240 -2.512 -1.982) 3.432 6.113 ( 1.707 0.809 -0.590) 1.979 7.406 ( -2.465 -2.706 4.539) 5.831 7.695 ( -1.974 -1.202 -0.014) 2.311 8.386 ( -13.592 -3.642 13.261) 19.336 8.552 ( -7.386 1.124 8.152) 11.058 8.792 ( 4.166 -6.169 0.506) 7.461 9.258 ( 9.328 -0.871 -2.468) 9.688 9.905 ( 12.030 -0.886 4.784) 12.976 10.685 ( 3.332 -0.038 6.628) 7.418 11.297 ( -5.606 17.490 12.143) 22.017 11.638 ( 12.147 9.692 -1.885) 15.653 11.989 ( -5.783 -1.984 3.631) 7.111 12.390 ( -2.784 -1.326 4.318) 5.306 12.587 ( -0.816 -8.546 2.380) 8.908 13.227 ( -14.075 -4.114 -8.302) 16.851 15.207 ( 0.238 2.045 7.201) 7.490 15.383 ( 6.411 -4.445 -5.384) 9.479 15.866 ( -6.535 5.836 -1.468) 8.884 16.313 ( 5.374 1.553 -9.347) 10.893 17.123 ( 4.475 0.911 1.535) 4.818 17.280 ( 1.732 -7.786 1.245) 8.072 18.132 ( -1.241 0.055 -2.882) 3.138 18.657 ( -7.965 0.679 -0.932) 8.048 ======================= Grid point 556 (282/337) ======================= q-point: (-0.40 0.30 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -1.858 2.643 3.715) 4.923 2.289 ( -5.001 11.409 1.036) 12.500 2.474 ( -4.046 -8.278 6.758) 11.427 2.668 ( -8.899 -1.552 3.232) 9.594 3.017 ( 4.943 -4.074 -5.037) 8.149 3.316 ( 1.829 1.304 4.944) 5.431 3.557 ( 6.136 -2.013 -11.430) 13.128 3.833 ( -9.237 4.785 -0.628) 10.422 4.330 ( 0.087 4.132 5.794) 7.117 4.649 ( 1.914 -4.830 -5.601) 7.639 4.902 ( -0.342 -4.321 7.918) 9.027 5.507 ( 3.963 -9.856 -6.788) 12.606 5.819 ( 3.647 -0.740 1.230) 3.919 6.117 ( 0.865 0.072 -1.214) 1.492 7.467 ( -1.772 -5.281 4.994) 7.481 7.685 ( -0.543 -4.363 -1.725) 4.723 8.419 ( -11.791 -3.367 16.235) 20.345 8.561 ( -5.611 -0.378 9.939) 11.420 8.892 ( 2.346 -7.119 -1.296) 7.606 9.273 ( 6.108 -0.464 -11.376) 12.921 10.250 ( 19.173 2.947 14.264) 24.078 10.818 ( 4.892 2.298 8.697) 10.240 11.170 ( -9.370 13.249 6.662) 17.541 11.541 ( -2.895 12.686 -5.703) 14.207 11.983 ( 1.439 6.675 6.060) 9.130 12.440 ( -3.631 -3.130 5.411) 7.229 12.715 ( -2.396 -10.908 5.617) 12.500 13.008 ( -6.396 -6.594 -10.874) 14.235 15.256 ( 2.936 0.877 0.808) 3.169 15.423 ( 0.172 -3.075 -4.447) 5.409 15.737 ( -3.253 5.685 2.381) 6.969 16.246 ( 4.603 3.156 -10.626) 12.002 17.164 ( -6.371 -4.306 6.880) 10.319 17.415 ( 11.683 -4.411 -6.020) 13.863 18.120 ( 0.253 -0.760 1.914) 2.075 18.520 ( -7.990 0.369 -2.607) 8.413 ======================= Grid point 557 (283/337) ======================= q-point: (-0.30 0.30 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 0.568 2.080 1.606) 2.688 2.139 ( 0.608 7.967 -1.762) 8.182 2.611 ( -3.834 0.505 2.717) 4.726 2.616 ( 0.525 -7.150 7.104) 10.093 3.069 ( 1.300 -2.073 0.832) 2.585 3.332 ( -6.850 -8.324 -1.688) 10.912 3.548 ( 6.943 6.671 -3.619) 10.286 3.701 ( 2.583 4.095 -5.934) 7.659 4.358 ( -1.143 3.873 6.903) 7.997 4.598 ( -1.253 0.677 -5.831) 6.002 5.066 ( -1.089 -10.392 9.541) 14.149 5.548 ( 1.938 -12.347 -9.979) 15.994 5.884 ( -0.562 1.469 5.648) 5.863 6.104 ( -0.374 -1.897 -3.029) 3.594 7.555 ( -1.726 -5.683 5.115) 7.839 7.734 ( 3.754 -7.440 -2.504) 8.701 8.472 ( -12.053 -2.053 17.213) 21.113 8.637 ( -3.366 -3.541 11.318) 12.327 8.944 ( 0.967 -6.015 -3.977) 7.275 9.211 ( 4.214 -0.763 -12.389) 13.108 10.585 ( 13.566 12.616 13.165) 22.727 10.948 ( -11.526 9.359 -2.478) 15.053 10.986 ( 5.595 1.774 11.197) 12.642 11.307 ( -5.740 8.745 -4.964) 11.578 12.049 ( 4.455 7.545 10.368) 13.574 12.384 ( -8.510 1.055 -2.190) 8.850 12.795 ( -8.423 -8.494 5.771) 13.281 12.998 ( 8.571 -9.984 -7.464) 15.128 15.228 ( -12.345 -0.684 0.496) 12.374 15.393 ( 10.283 2.401 -6.056) 12.173 15.752 ( 0.752 0.551 5.473) 5.552 16.149 ( 5.270 4.980 -11.399) 13.510 17.187 ( -10.273 -6.991 7.889) 14.719 17.518 ( 11.143 -2.389 -8.266) 14.078 18.190 ( 2.273 -0.452 5.547) 6.012 18.391 ( -5.412 -1.031 -3.640) 6.603 ======================= Grid point 558 (284/337) ======================= q-point: (-0.20 0.30 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -1.510 5.829 0.291) 6.029 2.169 ( 9.288 2.772 -3.567) 10.329 2.609 ( -1.639 -0.126 6.279) 6.491 2.772 ( 6.336 -4.509 0.383) 7.786 3.127 ( -1.209 -2.275 7.307) 7.748 3.217 ( -11.317 -6.282 -5.330) 13.998 3.596 ( 6.766 -1.098 -0.550) 6.876 3.657 ( 9.720 9.625 -8.081) 15.888 4.382 ( -3.007 2.706 5.628) 6.931 4.506 ( -0.207 3.173 -3.171) 4.490 5.247 ( -4.729 -12.074 11.345) 17.230 5.557 ( 1.334 -12.324 -11.707) 17.051 5.882 ( -7.602 1.486 5.836) 9.699 6.077 ( -0.530 -2.849 -4.043) 4.974 7.607 ( -3.940 -1.906 4.488) 6.269 7.852 ( 7.287 -8.889 -4.312) 12.276 8.513 ( -13.125 -1.086 17.864) 22.194 8.781 ( 0.596 -5.719 8.108) 9.940 8.934 ( -1.570 -4.228 -4.157) 6.133 9.135 ( 1.786 -2.666 -9.640) 10.160 10.621 ( -8.744 10.837 -1.162) 13.973 10.707 ( -2.727 10.901 2.896) 11.604 11.003 ( -6.241 7.834 0.480) 10.028 11.306 ( 11.611 2.762 3.925) 12.564 12.148 ( -6.862 1.848 -0.072) 7.107 12.278 ( 8.209 4.983 8.539) 12.850 12.786 ( -9.671 -6.499 3.154) 12.071 13.152 ( 10.354 -8.532 -5.321) 14.433 15.016 ( -16.905 1.156 0.851) 16.966 15.499 ( 13.043 1.106 -2.639) 13.353 15.805 ( -1.649 -0.389 2.453) 2.982 16.069 ( 8.625 5.296 -9.469) 13.860 17.173 ( -12.940 -6.918 6.336) 15.982 17.584 ( 7.887 -1.824 -6.108) 10.140 18.270 ( -0.707 -1.100 1.955) 2.352 18.350 ( 3.242 -1.274 0.542) 3.525 ======================= Grid point 559 (285/337) ======================= q-point: (-0.10 -0.70 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -0.742 5.404 1.058) 5.556 2.166 ( 4.744 6.433 -8.204) 11.454 2.720 ( 4.598 -1.297 6.905) 8.397 2.861 ( 3.469 -3.298 -2.235) 5.283 3.063 ( -9.180 -5.660 0.520) 10.797 3.295 ( 6.940 -5.355 5.301) 10.244 3.542 ( 4.771 8.769 -10.798) 14.706 3.749 ( 7.466 0.028 4.145) 8.539 4.320 ( -4.569 1.973 -1.425) 5.177 4.507 ( 2.748 3.992 3.491) 5.973 5.398 ( -8.005 -12.367 10.635) 18.170 5.535 ( -0.443 -9.734 -10.217) 14.119 5.788 ( -12.508 -0.858 2.984) 12.888 6.052 ( 0.544 -1.669 -3.749) 4.140 7.590 ( -5.452 2.189 4.697) 7.522 7.935 ( 4.644 -5.352 -9.078) 11.516 8.538 ( -13.660 -0.610 17.459) 22.176 8.787 ( -2.791 3.009 -5.997) 7.267 8.969 ( -0.295 -8.702 -1.110) 8.777 9.150 ( 0.626 -7.680 3.733) 8.562 10.363 ( -9.232 -3.230 -10.290) 14.197 10.603 ( -5.812 14.449 7.438) 17.259 10.874 ( 2.183 11.195 -3.498) 11.930 11.429 ( 3.961 3.382 1.632) 5.458 11.973 ( -5.549 3.803 -4.973) 8.365 12.583 ( 10.628 0.445 18.213) 21.092 12.727 ( -5.878 -4.009 -0.965) 7.180 13.278 ( 8.089 -5.672 -6.465) 11.807 14.799 ( -17.701 1.213 5.334) 18.527 15.639 ( 9.752 1.869 -1.083) 9.988 15.759 ( 1.105 0.833 -4.996) 5.184 16.093 ( 9.239 2.278 -3.580) 10.167 17.098 ( -13.710 -4.988 3.656) 15.041 17.626 ( 3.224 -1.266 -2.609) 4.337 18.282 ( 1.458 -4.387 -2.945) 5.481 18.458 ( 5.492 1.057 5.163) 7.611 ======================= Grid point 564 (286/337) ======================= q-point: ( 0.40 0.40 -0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -5.677 0.000 5.963) 8.234 2.226 ( -0.215 0.000 12.091) 12.093 2.659 ( -1.759 0.000 1.572) 2.358 2.678 ( -14.502 0.000 -1.776) 14.610 2.976 ( -3.379 0.000 -6.825) 7.615 3.206 ( 13.796 -0.000 -0.375) 13.801 3.626 ( -6.791 0.000 -6.541) 9.429 4.052 ( -12.830 0.000 7.547) 14.885 4.335 ( 5.626 -0.000 -1.631) 5.858 4.478 ( 4.009 -0.000 -0.345) 4.024 4.859 ( -2.358 0.000 3.654) 4.349 5.362 ( 9.246 -0.000 -7.918) 12.173 5.750 ( 2.244 -0.000 -1.718) 2.826 6.121 ( 1.704 -0.000 -0.662) 1.828 7.380 ( -3.169 0.000 3.710) 4.879 7.683 ( -3.307 0.000 -0.275) 3.319 8.352 ( -13.649 0.000 13.976) 19.535 8.571 ( -7.974 0.000 9.145) 12.134 8.730 ( 4.270 -0.000 0.140) 4.272 9.250 ( 10.336 -0.000 -2.495) 10.633 9.896 ( 13.184 -0.000 4.797) 14.030 10.679 ( 3.611 -0.000 6.748) 7.653 11.523 ( -10.631 0.000 12.227) 16.202 11.681 ( 11.929 -0.000 -1.106) 11.980 11.959 ( 3.739 -0.000 5.639) 6.766 12.387 ( -3.369 0.000 5.213) 6.207 12.499 ( -3.043 0.000 -3.109) 4.351 13.187 ( -16.077 0.000 -6.157) 17.215 15.234 ( -5.527 0.000 15.098) 16.077 15.334 ( 11.554 -0.000 -12.766) 17.218 15.921 ( -7.213 0.000 -0.729) 7.250 16.327 ( 6.486 -0.000 -10.046) 11.958 17.158 ( -11.365 0.000 7.587) 13.665 17.181 ( 17.750 -0.000 -5.062) 18.457 18.132 ( -1.303 0.000 -3.515) 3.749 18.664 ( -8.240 0.000 -0.697) 8.270 ======================= Grid point 565 (287/337) ======================= q-point: (-0.50 0.40 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -4.672 1.733 4.745) 6.881 2.355 ( -1.866 -4.028 8.542) 9.626 2.463 ( -6.867 6.928 -1.562) 9.878 2.627 ( -7.355 -2.773 2.408) 8.221 2.967 ( 8.477 -1.514 -5.053) 9.985 3.312 ( -8.903 -0.958 3.303) 9.544 3.535 ( 13.963 -0.430 -9.284) 16.774 3.922 ( -12.394 3.771 3.447) 13.405 4.388 ( 3.013 2.516 1.600) 4.239 4.535 ( 3.022 -5.768 -3.295) 7.298 4.874 ( -1.844 -0.121 4.748) 5.095 5.378 ( 3.261 -4.037 -7.250) 8.916 5.808 ( 5.426 -0.397 1.263) 5.585 6.123 ( -0.142 0.290 -1.149) 1.194 7.392 ( -2.135 -2.507 3.455) 4.773 7.622 ( -3.062 -2.161 -2.426) 4.464 8.379 ( -11.358 -1.098 18.172) 21.458 8.573 ( -6.799 0.961 9.975) 12.109 8.794 ( 3.523 -3.378 -0.956) 4.973 9.270 ( 7.143 -0.040 -12.119) 14.067 10.280 ( 22.018 0.742 15.564) 26.974 10.824 ( 4.345 -0.325 8.318) 9.390 11.411 ( -12.825 10.734 6.738) 18.030 11.659 ( -6.868 0.495 -6.786) 9.668 12.126 ( 12.516 7.804 5.374) 15.698 12.400 ( -3.114 -0.525 6.336) 7.079 12.523 ( -1.828 -9.515 3.656) 10.356 12.919 ( -12.405 -2.913 -7.481) 14.776 15.274 ( -5.848 0.895 7.369) 9.450 15.375 ( 10.261 -1.829 -9.151) 13.870 15.813 ( -7.346 2.405 2.224) 8.043 16.286 ( 6.470 1.248 -11.598) 13.339 17.106 ( -10.660 -1.873 8.473) 13.746 17.358 ( 16.878 -1.738 -8.119) 18.810 18.111 ( 0.723 -0.260 1.102) 1.343 18.526 ( -8.937 0.210 -2.357) 9.245 ======================= Grid point 566 (288/337) ======================= q-point: (-0.40 0.40 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 1.363 2.198 4.134) 4.876 2.281 ( -1.579 6.652 -4.652) 8.269 2.511 ( 1.411 -3.841 8.742) 9.652 2.604 ( -2.053 -1.473 1.746) 3.071 3.044 ( 2.978 -0.581 -0.273) 3.047 3.183 ( -9.364 -7.662 -3.128) 12.497 3.664 ( 6.975 6.161 -0.711) 9.334 3.770 ( 0.328 2.704 -3.385) 4.345 4.409 ( -0.695 2.141 3.302) 3.996 4.563 ( 0.301 -4.377 -4.518) 6.298 4.936 ( -1.657 -4.027 7.613) 8.771 5.368 ( 2.147 -7.348 -9.519) 12.215 5.900 ( 1.892 0.428 4.641) 5.030 6.081 ( -2.905 -0.732 -2.583) 3.955 7.451 ( -0.111 -5.093 3.642) 6.262 7.612 ( 1.189 -5.682 -2.805) 6.447 8.445 ( -11.800 -0.960 19.098) 22.470 8.603 ( -5.642 -0.680 10.834) 12.234 8.853 ( 3.275 -3.935 -2.966) 5.917 9.206 ( 5.287 -0.008 -13.802) 14.780 10.741 ( 21.016 5.435 14.448) 26.076 10.949 ( -4.794 -1.534 6.705) 8.384 11.187 ( -7.866 12.340 3.295) 15.000 11.427 ( -9.210 3.586 -7.558) 12.442 12.218 ( 4.170 11.307 7.564) 14.229 12.423 ( -2.071 3.443 1.032) 4.148 12.627 ( -6.635 -10.329 5.633) 13.507 12.812 ( 3.603 -10.467 -6.211) 12.694 15.215 ( -12.059 -0.641 2.678) 12.369 15.429 ( 12.231 1.482 -7.630) 14.492 15.764 ( -4.802 0.686 6.840) 8.385 16.223 ( 7.298 3.127 -12.447) 14.764 17.083 ( -11.296 -4.319 8.701) 14.898 17.478 ( 13.819 -1.913 -10.351) 17.372 18.185 ( 3.898 -0.177 5.264) 6.552 18.377 ( -7.665 -0.549 -3.415) 8.409 ======================= Grid point 567 (289/337) ======================= q-point: (-0.30 -0.60 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 1.385 7.748 1.280) 7.974 2.225 ( 8.241 3.632 -1.937) 9.211 2.597 ( -0.936 -1.146 3.460) 3.763 2.706 ( 7.926 -3.440 2.592) 9.020 3.016 ( -8.136 -8.634 -0.321) 11.868 3.160 ( -4.760 -1.219 2.799) 5.655 3.585 ( 1.286 0.414 -4.796) 4.982 3.825 ( 12.219 8.562 -4.088) 15.470 4.411 ( -4.215 0.552 4.290) 6.040 4.530 ( -0.490 -0.894 -3.118) 3.280 5.061 ( -3.468 -8.254 9.974) 13.403 5.356 ( 2.751 -9.415 -11.340) 14.993 5.910 ( -7.236 1.661 3.041) 8.023 6.029 ( -1.890 -2.597 -1.285) 3.459 7.545 ( 0.494 -4.607 3.640) 5.892 7.690 ( 5.825 -8.684 -3.629) 11.069 8.500 ( -12.807 -0.433 19.033) 22.945 8.685 ( -3.560 -4.524 10.720) 12.168 8.877 ( 2.624 -2.322 -5.113) 6.198 9.105 ( 2.033 -0.854 -12.898) 13.085 10.700 ( -21.438 1.786 -5.777) 22.275 10.963 ( 1.095 13.746 5.724) 14.930 11.165 ( 1.436 9.098 2.774) 9.619 11.347 ( 10.356 1.870 4.552) 11.466 12.200 ( -7.576 4.205 1.310) 8.763 12.392 ( 7.794 7.894 5.144) 12.228 12.651 ( -8.088 -8.569 2.944) 12.145 12.983 ( 11.132 -10.437 -3.570) 15.671 15.033 ( -16.389 0.733 1.400) 16.465 15.523 ( 12.864 1.477 -3.812) 13.498 15.796 ( -3.595 -0.646 6.772) 7.694 16.157 ( 8.860 4.375 -12.025) 15.564 17.060 ( -12.694 -5.500 7.847) 15.905 17.547 ( 10.513 -2.118 -9.343) 14.223 18.248 ( -4.307 -1.339 -1.715) 4.826 18.336 ( 5.535 -0.316 4.692) 7.263 ======================= Grid point 568 (290/337) ======================= q-point: (-0.20 -0.60 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 0.676 8.808 1.946) 9.046 2.278 ( 6.671 6.219 -4.330) 10.096 2.681 ( 5.926 -2.857 3.193) 7.313 2.829 ( 4.080 -0.750 1.470) 4.401 2.956 ( -12.618 -7.282 -1.062) 14.607 3.185 ( 3.421 -5.609 5.190) 8.373 3.625 ( 11.522 -0.266 -9.003) 14.624 3.824 ( 4.511 9.105 0.360) 10.168 4.352 ( -6.876 1.385 0.916) 7.073 4.544 ( 2.105 -0.535 2.061) 2.994 5.191 ( -6.266 -10.246 9.016) 15.018 5.354 ( 2.114 -9.824 -9.794) 14.032 5.774 ( -12.304 -0.658 -0.434) 12.330 6.026 ( -1.669 -1.192 0.979) 2.272 7.607 ( -0.740 -0.437 3.351) 3.459 7.809 ( 6.785 -8.381 -6.230) 12.454 8.533 ( -13.797 -0.022 18.350) 22.958 8.801 ( -0.425 -4.680 2.027) 5.118 8.848 ( -0.596 -1.644 -3.403) 3.826 9.025 ( -0.047 -5.442 -4.666) 7.168 10.322 ( -18.662 -1.269 -8.929) 20.727 10.821 ( -7.404 9.297 1.176) 11.943 11.125 ( 4.786 16.171 0.867) 16.887 11.498 ( 4.831 4.839 1.896) 7.095 12.052 ( -3.437 4.791 -2.769) 6.514 12.573 ( -2.707 -2.611 13.001) 13.534 12.654 ( 5.739 -3.441 -0.515) 6.711 13.168 ( 11.438 -6.373 -4.578) 13.871 14.823 ( -17.868 1.334 5.563) 18.762 15.659 ( 12.448 0.403 -1.637) 12.561 15.788 ( -3.041 2.195 0.135) 3.753 16.137 ( 9.158 2.619 -7.255) 11.973 17.006 ( -13.470 -5.160 5.787) 15.542 17.596 ( 6.831 -2.009 -6.132) 9.397 18.205 ( -0.898 -4.109 -2.910) 5.114 18.479 ( 6.183 1.293 5.829) 8.596 ======================= Grid point 569 (291/337) ======================= q-point: (-0.10 -0.60 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -0.863 8.520 2.072) 8.810 2.165 ( -2.138 9.161 -7.534) 12.052 2.792 ( -6.093 -3.440 4.032) 8.076 2.868 ( 7.694 -2.343 -1.788) 8.239 2.980 ( 2.458 -6.650 7.110) 10.040 3.403 ( 15.391 -7.593 -4.623) 17.773 3.567 ( 1.302 9.277 -5.918) 11.080 3.878 ( 2.696 1.635 5.138) 6.028 4.258 ( -6.030 0.768 1.645) 6.297 4.607 ( 3.277 1.330 2.033) 4.079 5.245 ( -2.840 -9.899 -4.386) 11.193 5.355 ( -7.389 -8.750 -1.798) 11.593 5.632 ( -10.661 -2.615 4.920) 12.030 6.028 ( -0.051 -0.894 0.231) 0.925 7.614 ( -1.831 3.489 3.929) 5.564 7.823 ( 1.823 -2.503 -11.438) 11.850 8.542 ( -14.164 -0.499 16.845) 22.014 8.716 ( -3.653 5.293 -5.206) 8.274 8.860 ( 0.025 -7.320 -3.471) 8.101 9.126 ( -1.224 -10.438 6.259) 12.232 10.075 ( -8.895 -8.569 -6.880) 14.138 10.667 ( -5.243 8.436 1.047) 9.988 11.020 ( 3.750 16.529 -4.027) 17.420 11.421 ( -5.558 3.299 -4.946) 8.139 11.990 ( 2.648 7.932 1.337) 8.468 12.551 ( -9.849 -4.264 2.793) 11.089 12.893 ( 9.388 -6.969 2.545) 11.966 13.318 ( 13.186 0.184 -1.390) 13.260 14.671 ( -16.857 1.423 12.236) 20.878 15.685 ( -1.463 5.626 -4.726) 7.492 15.815 ( 12.074 -1.999 -2.641) 12.520 16.180 ( 6.862 0.868 -2.895) 7.498 16.922 ( -11.933 -3.902 3.477) 13.027 17.623 ( 2.364 -0.691 -2.694) 3.650 18.223 ( 1.949 -5.577 -3.421) 6.827 18.608 ( 5.070 1.680 5.553) 7.705 ======================= Grid point 575 (292/337) ======================= q-point: (-0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 0.840 0.000 5.431) 5.495 2.334 ( 1.029 -0.000 -3.655) 3.797 2.498 ( 0.283 -0.000 5.853) 5.860 2.575 ( -2.077 -0.000 2.575) 3.308 3.049 ( 8.509 0.000 -1.543) 8.647 3.098 ( -14.948 -0.000 -2.747) 15.199 3.737 ( 17.585 -0.000 -1.004) 17.614 3.783 ( -12.761 -0.000 -0.267) 12.763 4.444 ( 1.404 0.000 0.084) 1.406 4.494 ( 0.225 -0.000 -2.765) 2.775 4.906 ( -2.167 -0.000 6.320) 6.681 5.302 ( 2.346 -0.000 -9.015) 9.315 5.903 ( 3.017 0.000 4.385) 5.323 6.076 ( -4.052 -0.000 -2.552) 4.789 7.402 ( 0.311 -0.000 3.125) 3.141 7.558 ( 0.400 -0.000 -2.972) 2.998 8.437 ( -11.588 -0.000 19.574) 22.747 8.599 ( -7.098 -0.000 10.700) 12.840 8.816 ( 4.735 -0.000 -2.629) 5.416 9.206 ( 5.596 -0.000 -14.189) 15.252 10.789 ( 23.949 -0.000 15.855) 28.721 10.932 ( -6.132 -0.000 7.185) 9.446 11.324 ( -8.234 -0.000 1.352) 8.344 11.440 ( -11.731 -0.000 -7.330) 13.833 12.411 ( -7.852 -0.000 8.044) 11.241 12.442 ( 11.582 0.000 3.120) 11.995 12.483 ( 3.060 -0.000 4.046) 5.073 12.688 ( -6.309 -0.000 -6.751) 9.240 15.209 ( -12.264 -0.000 3.574) 12.774 15.442 ( 13.680 -0.000 -8.188) 15.944 15.771 ( -7.397 -0.000 7.302) 10.394 16.252 ( 7.972 -0.000 -12.772) 15.056 17.044 ( -11.455 -0.000 8.885) 14.497 17.459 ( 14.784 -0.000 -11.120) 18.499 18.183 ( 4.582 -0.000 5.150) 6.893 18.372 ( -8.613 -0.000 -3.331) 9.234 ======================= Grid point 577 (293/337) ======================= q-point: (-0.40 -0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 7.556 3.053 5.477) 9.819 2.307 ( 5.998 5.068 -5.646) 9.671 2.581 ( 1.088 -0.224 3.594) 3.762 2.629 ( 5.172 -4.880 2.219) 7.449 2.899 ( -11.745 -3.495 -1.807) 12.386 3.142 ( 0.697 -0.740 3.905) 4.035 3.604 ( -4.891 1.078 -5.435) 7.391 3.936 ( 12.914 3.414 0.369) 13.363 4.422 ( -2.922 1.649 0.687) 3.425 4.479 ( -1.228 -4.063 -2.968) 5.179 4.967 ( -2.917 -2.462 8.747) 9.543 5.244 ( 3.365 -3.140 -10.430) 11.400 5.941 ( -7.227 1.768 -0.676) 7.471 5.987 ( -2.199 -2.082 2.326) 3.819 7.475 ( 2.909 -2.487 3.444) 5.148 7.575 ( 5.098 -3.624 -3.588) 7.211 8.496 ( -12.363 -0.110 19.323) 22.940 8.632 ( -6.630 -1.431 10.973) 12.900 8.850 ( 5.143 -0.752 -4.531) 6.895 9.098 ( 2.226 -0.115 -14.373) 14.545 10.718 ( -23.693 0.491 -3.530) 23.960 11.134 ( -2.556 4.990 -4.226) 7.021 11.288 ( 10.448 3.997 10.142) 15.099 11.371 ( 6.810 0.710 6.348) 9.337 12.297 ( -9.760 6.062 1.881) 11.642 12.491 ( -7.345 -6.954 3.606) 10.738 12.554 ( 5.493 7.915 -0.057) 9.635 12.796 ( 14.935 -9.713 -0.648) 17.827 15.042 ( -15.959 0.236 2.048) 16.091 15.545 ( 13.338 0.753 -5.787) 14.559 15.786 ( -5.842 -0.398 10.321) 11.867 16.213 ( 9.084 1.730 -13.152) 16.078 16.990 ( -12.340 -2.087 8.367) 15.054 17.518 ( 12.203 -0.966 -11.317) 16.671 18.229 ( -6.493 -0.592 -3.133) 7.234 18.335 ( 6.874 0.019 6.484) 9.449 ======================= Grid point 578 (294/337) ======================= q-point: (-0.30 -0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 3.213 10.320 -0.702) 10.831 2.385 ( 8.725 5.634 0.954) 10.430 2.627 ( 3.704 -3.010 0.806) 4.841 2.786 ( -7.184 -11.351 -0.517) 13.444 2.824 ( 7.568 0.088 0.948) 7.627 3.124 ( -8.391 -1.625 4.831) 9.818 3.599 ( 12.778 -1.548 -5.639) 14.052 4.001 ( 4.430 9.678 -0.296) 10.647 4.365 ( -7.335 0.064 2.345) 7.701 4.482 ( 0.867 -5.738 -1.728) 6.055 5.055 ( -4.768 -4.901 9.065) 11.354 5.215 ( 4.056 -5.426 -10.092) 12.155 5.765 ( -11.992 -0.366 -3.129) 12.399 6.012 ( -2.870 -0.488 4.196) 5.107 7.582 ( 3.477 -1.824 3.117) 5.013 7.669 ( 8.041 -6.586 -4.606) 11.368 8.535 ( -13.540 0.111 18.413) 22.855 8.700 ( -4.593 -4.411 9.578) 11.501 8.849 ( 2.484 0.117 -6.575) 7.029 8.967 ( 0.525 -1.591 -10.619) 10.751 10.312 ( -23.306 -0.118 -8.151) 24.691 10.930 ( -7.922 3.465 -4.828) 9.903 11.391 ( 3.194 12.267 4.932) 13.601 11.596 ( 9.113 5.406 5.616) 11.992 12.134 ( -4.154 4.355 -2.475) 6.508 12.484 ( -8.366 -6.082 4.432) 11.253 12.616 ( 6.429 -1.519 0.924) 6.670 13.070 ( 17.616 -4.137 -1.182) 18.133 14.843 ( -18.005 0.893 5.962) 18.988 15.660 ( 12.711 -0.126 -4.969) 13.649 15.824 ( -4.774 1.585 8.541) 9.912 16.180 ( 9.158 1.948 -11.095) 14.518 16.928 ( -13.080 -3.288 6.970) 15.181 17.561 ( 9.973 -1.672 -9.568) 13.921 18.145 ( -3.108 -2.489 -2.249) 4.573 18.500 ( 6.897 1.005 6.336) 9.420 ======================= Grid point 579 (295/337) ======================= q-point: (-0.20 -0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -0.104 9.658 1.107) 9.722 2.323 ( -4.542 8.493 -3.979) 10.421 2.701 ( -8.143 -6.524 0.146) 10.435 2.813 ( 6.336 -4.931 3.247) 8.661 2.920 ( 4.974 0.441 3.722) 6.228 3.237 ( 13.794 -9.761 -2.539) 17.088 3.720 ( 10.365 6.026 -6.709) 13.739 3.939 ( -0.894 6.296 4.764) 7.946 4.273 ( -9.437 0.644 3.142) 9.967 4.565 ( 3.450 -6.081 0.279) 6.997 5.100 ( -3.971 -6.026 0.553) 7.238 5.215 ( -1.122 -6.527 -5.158) 8.394 5.593 ( -10.804 -1.695 1.971) 11.112 6.017 ( -2.304 -0.340 2.814) 3.653 7.656 ( 2.617 1.193 2.149) 3.590 7.760 ( 5.938 -4.327 -7.552) 10.536 8.536 ( -15.302 -0.231 16.268) 22.335 8.726 ( -2.906 -3.251 -3.628) 5.672 8.814 ( 0.187 0.184 -0.999) 1.033 8.956 ( 0.815 -6.806 1.427) 7.001 9.962 ( -15.805 -4.344 -7.329) 17.955 10.769 ( -5.223 3.071 -2.886) 6.711 11.300 ( -2.322 13.733 -0.295) 13.931 11.555 ( -2.817 11.921 -4.602) 13.085 12.100 ( 4.497 4.041 1.001) 6.129 12.468 ( -7.495 -4.785 3.521) 9.564 12.740 ( 3.930 -9.710 -3.012) 10.900 13.332 ( 19.274 1.149 0.930) 19.330 14.696 ( -17.142 1.310 12.926) 21.509 15.746 ( 6.392 -0.258 -9.045) 11.078 15.824 ( 1.823 4.151 4.988) 6.740 16.190 ( 7.148 0.209 -5.252) 8.873 16.854 ( -11.715 -3.463 5.003) 13.201 17.601 ( 6.947 -1.603 -6.486) 9.638 18.134 ( -0.017 -4.155 -1.593) 4.450 18.640 ( 5.449 1.864 5.518) 7.976 ======================= Grid point 580 (296/337) ======================= q-point: (-0.10 -0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -6.739 8.699 -10.515) 15.220 2.157 ( -8.768 6.683 7.532) 13.352 2.693 ( -5.991 -7.315 5.617) 10.998 2.941 ( 9.642 -3.478 -4.422) 11.163 3.097 ( 7.665 -2.833 4.986) 9.573 3.492 ( 16.257 -2.568 -7.948) 18.277 3.594 ( -1.420 6.853 -2.178) 7.330 3.978 ( -1.897 4.895 6.880) 8.654 4.211 ( -7.131 -1.764 6.573) 9.857 4.657 ( 4.173 -2.760 -1.080) 5.118 5.057 ( -12.018 -7.546 -3.121) 14.530 5.150 ( 2.941 -3.452 -10.125) 11.095 5.607 ( -4.641 -3.988 13.139) 14.494 6.029 ( -0.192 -1.212 1.336) 1.814 7.675 ( -2.037 4.987 0.017) 5.387 7.704 ( 3.356 0.877 -9.993) 10.578 8.492 ( -17.023 -2.116 12.692) 21.339 8.678 ( -1.194 2.860 -0.629) 3.163 8.800 ( 3.068 -2.090 -2.386) 4.413 9.083 ( -2.342 -8.468 5.941) 10.606 9.835 ( -5.218 -12.016 -2.062) 13.262 10.661 ( -3.482 3.516 -0.659) 4.992 11.113 ( -0.803 13.445 -7.837) 15.583 11.299 ( -8.875 8.627 -5.744) 13.644 12.145 ( 4.272 6.386 2.957) 8.232 12.450 ( -4.404 -1.986 2.573) 5.474 12.789 ( -1.908 -12.047 -7.771) 14.462 13.589 ( 17.586 3.347 2.330) 18.053 14.653 ( -13.652 1.822 18.830) 23.330 15.646 ( 1.033 4.275 -9.662) 10.616 15.914 ( 6.338 -1.267 -0.485) 6.481 16.235 ( 5.158 -0.061 -2.147) 5.587 16.795 ( -7.265 -2.780 3.163) 8.398 17.623 ( 2.785 0.233 -3.046) 4.134 18.167 ( 1.494 -4.885 -2.018) 5.493 18.739 ( 3.180 1.946 4.489) 5.835 ======================= Grid point 587 (297/337) ======================= q-point: (-0.40 -0.40 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 6.998 -0.000 -5.841) 9.115 2.450 ( 12.588 -0.000 6.793) 14.304 2.615 ( 0.675 -0.000 -3.006) 3.081 2.619 ( -8.747 0.000 2.795) 9.183 2.827 ( 9.107 -0.000 0.359) 9.114 3.111 ( -12.941 0.000 4.784) 13.797 3.585 ( 12.849 -0.000 -5.344) 13.916 4.111 ( 4.435 -0.000 4.980) 6.668 4.355 ( -6.632 0.000 -2.564) 7.110 4.412 ( -0.157 0.000 -2.230) 2.236 5.014 ( -4.289 0.000 9.571) 10.488 5.167 ( 4.656 -0.000 -10.511) 11.496 5.762 ( -11.875 0.000 -4.185) 12.591 6.008 ( -3.221 0.000 5.402) 6.289 7.563 ( 5.090 -0.000 3.922) 6.426 7.605 ( 8.399 -0.000 -4.867) 9.707 8.536 ( -13.049 0.000 17.873) 22.130 8.661 ( -6.391 0.000 11.689) 13.323 8.850 ( 2.788 -0.000 -7.539) 8.038 8.955 ( 1.278 -0.000 -11.795) 11.865 10.312 ( -24.685 0.000 -7.909) 25.921 10.958 ( -8.232 0.000 -6.847) 10.708 11.508 ( 0.782 -0.000 6.799) 6.844 11.651 ( 14.003 -0.000 7.659) 15.960 12.184 ( -6.801 0.000 -3.249) 7.537 12.414 ( -5.342 0.000 3.401) 6.333 12.599 ( 0.750 -0.000 -2.026) 2.160 13.033 ( 21.595 -0.000 1.052) 21.621 14.851 ( -18.060 0.000 6.167) 19.084 15.658 ( 12.623 -0.000 -6.428) 14.166 15.839 ( -5.338 0.000 12.262) 13.374 16.198 ( 9.165 -0.000 -12.718) 15.676 16.898 ( -12.869 0.000 7.261) 14.776 17.545 ( 11.223 -0.000 -11.031) 15.737 18.122 ( -4.022 0.000 -1.849) 4.427 18.510 ( 7.215 -0.000 6.523) 9.726 ======================= Grid point 588 (298/337) ======================= q-point: (-0.30 -0.40 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 1.776 9.108 -0.682) 9.305 2.448 ( -9.680 4.790 -2.183) 11.018 2.566 ( -8.222 -8.016 -1.941) 11.646 2.725 ( 10.983 -3.853 5.223) 12.757 2.961 ( 0.013 3.270 -0.084) 3.271 3.088 ( 15.086 -6.290 0.234) 16.346 3.774 ( 17.932 1.035 -2.403) 18.121 4.096 ( -7.381 10.055 4.900) 13.402 4.253 ( -11.971 -4.274 3.819) 13.273 4.439 ( 6.194 -5.409 -3.568) 8.964 5.037 ( -6.684 -1.443 4.585) 8.233 5.133 ( 4.458 -2.579 -8.867) 10.254 5.573 ( -10.867 -0.622 0.621) 10.903 6.015 ( -3.470 0.019 4.160) 5.417 7.665 ( 7.489 0.173 -2.438) 7.877 7.693 ( 6.827 -2.516 -0.942) 7.337 8.532 ( -14.835 -0.166 14.433) 20.698 8.701 ( -4.514 0.873 -1.486) 4.832 8.754 ( -4.648 -4.610 5.822) 8.760 8.923 ( 6.760 0.508 -7.020) 9.759 9.914 ( -19.513 -1.291 -7.891) 21.088 10.794 ( -5.254 0.426 -5.238) 7.431 11.472 ( -9.151 5.281 1.768) 10.713 11.781 ( 4.000 10.272 -1.108) 11.079 12.121 ( 2.638 -1.321 -2.194) 3.677 12.401 ( -4.065 -2.167 3.428) 5.742 12.588 ( 0.285 -5.800 -4.694) 7.467 13.349 ( 22.414 0.633 1.168) 22.453 14.713 ( -17.422 0.540 13.466) 22.026 15.730 ( 10.330 -0.678 -10.248) 14.567 15.895 ( -4.552 2.608 10.927) 12.121 16.189 ( 8.073 -0.215 -8.942) 12.049 16.809 ( -11.410 -1.415 5.628) 12.801 17.576 ( 10.046 -0.904 -9.702) 13.995 18.083 ( -1.473 -1.491 0.223) 2.108 18.666 ( 5.822 0.845 5.554) 8.090 ======================= Grid point 589 (299/337) ======================= q-point: (-0.20 -0.40 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -10.673 8.577 -9.709) 16.785 2.250 ( -13.774 3.838 6.921) 15.886 2.563 ( -2.226 -7.054 2.094) 7.687 2.870 ( 5.771 -4.189 -4.559) 8.464 3.053 ( 10.586 -2.107 3.236) 11.269 3.405 ( 20.662 -3.647 1.471) 21.033 3.787 ( -2.835 11.088 -6.529) 13.176 4.071 ( 3.769 5.317 6.704) 9.350 4.169 ( -12.968 -3.321 8.506) 15.860 4.557 ( 5.578 -7.042 -1.348) 9.084 4.942 ( -11.345 -4.906 -3.853) 12.947 5.112 ( 5.221 -1.169 -8.306) 9.880 5.551 ( -4.242 -2.243 11.536) 12.494 6.014 ( -2.194 -0.474 2.364) 3.260 7.710 ( 7.447 -0.058 -9.857) 12.354 7.744 ( 1.112 2.628 0.360) 2.876 8.459 ( -17.196 -1.476 10.488) 20.196 8.637 ( -1.371 -3.395 1.094) 3.822 8.837 ( 0.961 0.962 2.762) 3.079 8.959 ( 3.355 -3.272 1.670) 4.975 9.674 ( -10.529 -6.222 -2.589) 12.501 10.686 ( -3.272 0.064 -3.528) 4.812 11.270 ( -10.381 5.734 -2.474) 12.115 11.577 ( -4.053 19.277 -8.335) 21.390 12.169 ( 0.768 -4.725 -1.428) 4.995 12.417 ( -1.133 -1.769 2.297) 3.113 12.602 ( -0.009 -7.433 -3.598) 8.258 13.638 ( 19.674 2.015 0.022) 19.777 14.681 ( -13.662 1.233 19.435) 23.789 15.690 ( 4.459 0.707 -14.282) 14.979 15.929 ( -1.329 2.515 6.562) 7.152 16.225 ( 6.514 -1.007 -3.980) 7.699 16.751 ( -6.879 -1.970 4.090) 8.242 17.613 ( 7.798 -1.009 -7.100) 10.594 18.102 ( -0.141 -2.409 1.297) 2.740 18.774 ( 3.452 1.682 4.095) 5.613 ======================= Grid point 590 (300/337) ======================= q-point: (-0.10 -0.40 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -10.975 5.991 -7.739) 14.705 2.123 ( -14.363 -0.734 7.735) 16.330 2.651 ( -0.130 -6.102 4.942) 7.853 2.946 ( 8.718 -7.296 -7.995) 13.898 3.221 ( 5.384 1.393 2.798) 6.226 3.532 ( -6.062 9.365 -5.356) 12.375 3.693 ( 11.943 1.115 0.147) 11.996 4.071 ( -2.597 2.275 8.732) 9.390 4.179 ( -8.004 1.065 7.680) 11.144 4.658 ( 3.662 -5.080 -1.715) 6.493 4.777 ( -10.534 -5.253 -5.125) 12.839 5.146 ( 11.405 -0.687 -6.438) 13.114 5.708 ( -0.241 -2.670 14.984) 15.222 6.023 ( -0.917 -2.141 1.336) 2.685 7.590 ( -0.619 5.710 -10.999) 12.409 7.745 ( 2.213 2.013 -1.957) 3.575 8.359 ( -13.881 -3.149 7.784) 16.223 8.735 ( 1.968 -0.456 7.969) 8.222 8.847 ( 5.676 2.946 -1.484) 6.565 9.061 ( -0.776 -3.526 3.609) 5.104 9.680 ( -4.320 -12.631 5.687) 14.510 10.619 ( -2.955 -0.495 -1.245) 3.244 11.052 ( -5.257 6.300 -10.241) 13.123 11.234 ( -8.250 15.351 -3.497) 17.775 12.172 ( -5.292 -7.308 -1.767) 9.194 12.432 ( 0.028 -1.215 -1.181) 1.695 12.645 ( 1.599 -1.014 2.726) 3.319 13.823 ( 12.489 2.825 -3.775) 13.350 14.750 ( -8.183 1.781 21.028) 22.634 15.558 ( 3.028 0.772 -14.778) 15.105 15.948 ( -2.346 0.272 2.693) 3.582 16.274 ( 5.347 -0.581 -3.299) 6.309 16.757 ( -0.249 -1.670 2.928) 3.380 17.636 ( 4.078 0.883 -3.717) 5.588 18.138 ( 0.057 -2.508 0.815) 2.638 18.822 ( 0.419 1.830 2.404) 3.050 ======================= Grid point 598 (301/337) ======================= q-point: (-0.30 -0.30 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -16.784 0.000 -2.057) 16.910 2.297 ( -18.103 0.000 -0.776) 18.119 2.477 ( 7.546 -0.000 -0.879) 7.597 2.825 ( 2.693 -0.000 -3.845) 4.695 3.032 ( 11.900 -0.000 2.584) 12.177 3.375 ( 21.645 -0.000 4.009) 22.013 3.915 ( 0.716 -0.000 -9.015) 9.044 4.111 ( -16.634 0.000 13.264) 21.275 4.136 ( 4.354 -0.000 6.009) 7.421 4.477 ( 6.332 -0.000 -1.490) 6.505 4.897 ( -11.939 0.000 -4.813) 12.872 5.102 ( 6.544 -0.000 -7.669) 10.081 5.531 ( -4.197 0.000 10.889) 11.670 6.010 ( -2.983 0.000 2.719) 4.036 7.708 ( 9.372 -0.000 -9.454) 13.312 7.767 ( 2.683 -0.000 0.642) 2.759 8.445 ( -16.969 0.000 9.058) 19.235 8.607 ( -2.084 0.000 0.124) 2.088 8.819 ( -3.413 0.000 13.437) 13.863 8.956 ( 8.837 -0.000 -7.018) 11.284 9.617 ( -12.836 0.000 -2.698) 13.116 10.684 ( -3.095 0.000 -4.503) 5.464 11.324 ( -13.287 0.000 -1.899) 13.422 11.841 ( -0.641 0.000 -3.486) 3.544 12.034 ( -4.492 0.000 -10.769) 11.668 12.398 ( -0.657 0.000 2.325) 2.416 12.545 ( 3.138 -0.000 1.227) 3.370 13.656 ( 20.524 -0.000 -0.989) 20.548 14.692 ( -13.716 0.000 19.758) 24.052 15.692 ( 6.278 -0.000 -16.020) 17.206 15.961 ( -6.043 0.000 10.640) 12.236 16.212 ( 8.155 -0.000 -5.942) 10.091 16.733 ( -6.624 0.000 4.315) 7.905 17.601 ( 9.790 -0.000 -9.026) 13.316 18.081 ( -0.793 0.000 2.867) 2.975 18.790 ( 3.617 -0.000 3.946) 5.353 ======================= Grid point 599 (302/337) ======================= q-point: (-0.20 -0.30 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -16.206 6.341 -4.808) 18.054 2.071 ( -18.373 -4.678 2.576) 19.133 2.584 ( 5.275 -1.283 2.081) 5.814 2.828 ( 6.336 -4.642 -8.065) 11.258 3.235 ( 9.152 0.387 5.616) 10.744 3.679 ( -3.231 5.359 -3.172) 7.016 3.708 ( 8.284 0.832 0.116) 8.326 4.054 ( -13.479 -2.456 12.473) 18.529 4.276 ( 5.568 7.109 3.246) 9.596 4.554 ( -2.440 -5.881 4.052) 7.547 4.688 ( -3.621 -3.401 -10.684) 11.783 5.144 ( 10.255 0.141 -4.139) 11.060 5.673 ( 0.867 -1.125 15.564) 15.629 5.996 ( -2.409 -0.787 0.889) 2.686 7.675 ( 3.955 3.230 -11.886) 12.937 7.762 ( 0.664 0.002 -3.451) 3.514 8.316 ( -13.436 -1.433 6.194) 14.865 8.693 ( 3.625 -1.913 10.494) 11.266 8.913 ( 1.167 1.992 5.017) 5.523 9.011 ( 7.527 -1.147 -2.865) 8.135 9.523 ( -7.947 -4.734 7.253) 11.755 10.605 ( -2.340 -0.617 -3.423) 4.192 11.111 ( -11.427 1.548 -4.464) 12.365 11.579 ( -8.419 20.936 -8.031) 23.952 11.931 ( -8.384 -18.033 -7.232) 21.161 12.421 ( 0.700 -0.124 1.190) 1.386 12.660 ( 5.688 1.057 6.485) 8.691 13.858 ( 14.275 1.043 -5.636) 15.383 14.774 ( -8.409 0.787 21.170) 22.792 15.557 ( 3.397 -0.401 -18.082) 18.402 15.970 ( -6.765 1.284 7.488) 10.173 16.261 ( 6.894 -0.613 -4.920) 8.492 16.735 ( -0.016 -0.734 3.600) 3.674 17.636 ( 8.266 -0.338 -7.076) 10.886 18.113 ( -1.158 -0.501 4.143) 4.331 18.848 ( 0.635 0.931 1.823) 2.143 ======================= Grid point 600 (303/337) ======================= q-point: (-0.10 -0.30 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -9.321 3.344 -1.051) 9.958 1.940 ( -15.261 -8.322 4.973) 18.080 2.683 ( 1.670 -2.303 4.215) 5.085 2.895 ( 7.698 -7.444 -8.104) 13.429 3.328 ( -4.891 9.203 2.578) 10.736 3.452 ( -2.363 2.153 -1.737) 3.639 3.783 ( -1.579 2.717 -1.222) 3.372 4.034 ( -14.648 -0.813 5.687) 15.734 4.304 ( 8.500 4.470 2.843) 10.016 4.586 ( -5.751 -4.735 7.374) 10.482 4.665 ( 5.840 -2.955 -6.010) 8.886 5.288 ( 15.272 0.948 -1.614) 15.386 5.869 ( 2.277 0.871 9.787) 10.086 6.001 ( -1.141 -4.013 3.889) 5.704 7.526 ( 0.278 5.604 -8.929) 10.546 7.728 ( 0.468 -0.595 -3.980) 4.051 8.279 ( -4.965 -2.892 5.967) 8.284 8.893 ( 2.696 3.153 10.057) 10.879 8.954 ( 6.643 2.103 1.445) 7.116 9.091 ( 5.104 -0.226 0.072) 5.109 9.624 ( -6.633 -9.722 14.914) 18.999 10.548 ( -3.621 -0.986 -1.878) 4.197 10.857 ( -10.599 1.097 -10.535) 14.984 11.264 ( -5.778 14.586 2.092) 15.828 11.900 ( -8.844 -15.304 -3.752) 18.069 12.444 ( 1.123 1.230 1.685) 2.369 12.795 ( 4.517 3.749 8.022) 9.940 13.880 ( 5.173 2.443 -11.460) 12.808 14.915 ( -2.697 1.132 18.055) 18.290 15.422 ( 4.994 -2.373 -16.579) 17.477 15.921 ( -8.095 1.490 3.809) 9.070 16.286 ( 4.195 -0.851 -5.409) 6.898 16.824 ( 6.382 -0.738 2.869) 7.036 17.662 ( 4.906 1.027 -4.236) 6.563 18.142 ( -1.909 -0.048 3.833) 4.282 18.832 ( -2.741 1.285 -0.222) 3.035 ======================= Grid point 609 (304/337) ======================= q-point: (-0.20 -0.20 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -13.170 0.000 -0.298) 13.174 1.822 ( -15.571 0.000 2.826) 15.825 2.674 ( 3.381 -0.000 2.429) 4.163 2.813 ( 7.683 -0.000 -7.075) 10.444 3.417 ( 3.098 -0.000 6.956) 7.615 3.480 ( -8.893 0.000 -5.553) 10.484 3.789 ( -7.950 0.000 4.221) 9.001 4.035 ( -7.462 0.000 1.728) 7.659 4.380 ( 1.473 -0.000 -3.008) 3.349 4.508 ( 0.706 -0.000 11.921) 11.942 4.637 ( 6.047 -0.000 -5.344) 8.070 5.298 ( 14.846 -0.000 0.015) 14.846 5.885 ( 4.260 -0.000 15.157) 15.744 5.954 ( -2.999 0.000 -0.831) 3.113 7.589 ( 0.326 -0.000 -10.903) 10.908 7.714 ( 0.677 -0.000 -3.863) 3.921 8.251 ( -4.059 0.000 4.652) 6.174 8.910 ( 6.369 -0.000 14.307) 15.661 8.992 ( 1.413 -0.000 3.278) 3.569 9.080 ( 11.105 -0.000 -5.742) 12.502 9.534 ( -8.477 0.000 17.332) 19.294 10.534 ( -2.352 0.000 -3.008) 3.819 10.869 ( -15.627 0.000 -7.463) 17.318 11.490 ( -11.619 0.000 -1.013) 11.664 11.673 ( -3.791 0.000 -3.028) 4.852 12.456 ( 1.658 -0.000 1.814) 2.458 12.829 ( 4.708 -0.000 8.458) 9.680 13.902 ( 6.565 -0.000 -12.675) 14.274 14.927 ( -3.294 0.000 18.617) 18.906 15.396 ( 4.796 -0.000 -18.213) 18.833 15.939 ( -9.337 0.000 5.408) 10.790 16.277 ( 4.637 -0.000 -6.080) 7.646 16.817 ( 6.410 -0.000 3.278) 7.199 17.668 ( 7.063 -0.000 -5.909) 9.209 18.144 ( -2.532 0.000 5.577) 6.125 18.845 ( -2.657 0.000 -0.650) 2.736 ======================= Grid point 610 (305/337) ======================= q-point: (-0.10 -0.20 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -3.602 1.787 5.280) 6.637 1.737 ( -10.046 -8.116 5.280) 13.952 2.715 ( -2.917 -0.915 3.817) 4.890 2.866 ( 6.034 -3.064 -4.269) 8.002 3.230 ( -9.175 3.758 -5.521) 11.349 3.554 ( 1.379 6.868 6.036) 9.247 3.708 ( -3.344 -2.411 -4.275) 5.939 3.867 ( -15.710 -1.007 5.260) 16.597 4.307 ( -4.451 -0.022 -5.102) 6.770 4.634 ( 6.054 -2.173 -8.287) 10.491 4.811 ( 9.721 1.784 18.571) 21.037 5.506 ( 13.486 1.330 1.450) 13.629 5.903 ( -1.404 -0.139 -1.292) 1.913 6.099 ( 4.386 -0.882 8.669) 9.755 7.493 ( 0.449 1.896 -2.907) 3.500 7.707 ( 3.717 -0.049 -2.959) 4.751 8.292 ( 0.318 -1.843 4.849) 5.197 9.015 ( 0.418 4.555 1.859) 4.937 9.089 ( 8.629 1.586 -2.452) 9.109 9.222 ( 6.964 -0.327 8.473) 10.972 9.656 ( -9.342 -4.504 20.275) 22.773 10.471 ( -4.018 0.336 -1.386) 4.263 10.583 ( -12.625 -3.713 -4.226) 13.822 11.369 ( -2.676 10.537 6.431) 12.631 11.659 ( -5.227 -11.276 -0.636) 12.445 12.505 ( 1.638 0.986 3.532) 4.016 12.962 ( 1.426 2.119 8.699) 9.066 13.756 ( 0.095 1.502 -18.888) 18.947 15.094 ( 1.511 1.160 12.993) 13.132 15.302 ( 7.941 -3.100 -15.124) 17.361 15.840 ( -10.688 1.230 2.467) 11.037 16.251 ( 1.832 -0.686 -6.604) 6.888 16.970 ( 10.497 -0.136 2.587) 10.812 17.685 ( 3.691 0.800 -3.834) 5.382 18.163 ( -3.607 0.741 5.563) 6.671 18.767 ( -5.498 0.524 -2.404) 6.023 ======================= Grid point 620 (306/337) ======================= q-point: (-0.10 -0.10 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -3.881 0.000 6.928) 7.941 1.727 ( 4.376 -0.000 8.259) 9.347 2.673 ( -8.266 0.000 4.181) 9.263 2.888 ( -1.942 0.000 2.978) 3.556 3.102 ( 2.243 -0.000 -9.170) 9.440 3.513 ( -5.369 0.000 -10.367) 11.675 3.737 ( 2.703 -0.000 6.478) 7.020 3.742 ( -10.034 0.000 6.174) 11.782 4.165 ( -7.796 0.000 -3.445) 8.523 4.589 ( 2.062 -0.000 -7.156) 7.447 5.169 ( 11.008 -0.000 15.609) 19.100 5.656 ( 2.029 -0.000 3.697) 4.218 5.904 ( 5.414 -0.000 -1.492) 5.616 6.211 ( 4.365 -0.000 0.390) 4.382 7.523 ( 0.248 -0.000 5.589) 5.594 7.758 ( 7.976 -0.000 -2.807) 8.456 8.356 ( 0.816 -0.000 6.303) 6.355 9.030 ( -5.725 0.000 2.783) 6.365 9.151 ( 8.962 -0.000 -8.476) 12.335 9.388 ( 2.087 -0.000 7.209) 7.505 9.732 ( -10.162 0.000 19.988) 22.423 10.422 ( -1.421 0.000 -0.976) 1.723 10.461 ( -1.162 0.000 6.203) 6.311 11.511 ( 0.062 -0.000 10.491) 10.491 11.520 ( -5.411 0.000 -1.342) 5.575 12.572 ( -0.845 0.000 5.330) 5.396 13.057 ( -2.987 0.000 8.256) 8.779 13.516 ( 0.488 -0.000 -23.149) 23.154 15.246 ( 11.150 -0.000 -14.161) 18.024 15.269 ( 3.172 -0.000 9.567) 10.079 15.715 ( -10.620 0.000 0.861) 10.655 16.178 ( -0.528 0.000 -7.131) 7.150 17.154 ( 12.187 -0.000 2.221) 12.388 17.681 ( 0.037 -0.000 -2.326) 2.327 18.176 ( -4.413 0.000 5.898) 7.366 18.650 ( -6.367 0.000 -3.578) 7.304 ======================= Grid point 621 (307/337) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 3.879 -0.000 -7.768) 8.682 1.937 ( -3.879 0.000 7.768) 8.682 2.756 ( 7.269 -0.000 -10.655) 12.898 2.756 ( -7.269 0.000 10.655) 12.898 3.240 ( -1.065 0.000 -2.918) 3.107 3.240 ( 1.065 -0.000 2.918) 3.107 3.539 ( 6.228 -0.000 -4.026) 7.416 3.539 ( -6.228 0.000 4.026) 7.416 4.326 ( -1.767 0.000 -6.194) 6.441 4.326 ( 1.767 -0.000 6.194) 6.441 5.819 ( -1.599 0.000 -4.306) 4.594 5.819 ( 1.599 -0.000 4.306) 4.594 5.995 ( 5.302 -0.000 -9.913) 11.242 5.995 ( -5.302 0.000 9.913) 11.242 7.817 ( 11.759 -0.000 -9.236) 14.952 7.817 ( -11.759 0.000 9.236) 14.952 8.822 ( 2.980 -0.000 -13.735) 14.055 8.822 ( -2.980 0.000 13.735) 14.055 9.177 ( -0.118 0.000 -9.912) 9.912 9.177 ( 0.118 -0.000 9.912) 9.912 10.286 ( 4.113 -0.000 -12.050) 12.732 10.286 ( -4.113 0.000 12.050) 12.732 11.097 ( -14.002 0.000 -5.932) 15.207 11.097 ( 14.002 -0.000 5.932) 15.207 12.166 ( -9.867 0.000 -13.841) 16.998 12.166 ( 9.867 -0.000 13.841) 16.998 13.140 ( 12.336 -0.000 -5.637) 13.563 13.140 ( -12.336 0.000 5.637) 13.563 15.234 ( -16.403 0.000 3.914) 16.863 15.234 ( 16.403 -0.000 -3.914) 16.863 15.824 ( -6.116 0.000 -4.702) 7.715 15.824 ( 6.116 -0.000 4.702) 7.715 17.529 ( -8.982 0.000 -0.576) 9.000 17.529 ( 8.982 -0.000 0.576) 9.000 18.337 ( 0.304 -0.000 -5.683) 5.691 18.337 ( -0.304 0.000 5.683) 5.691 ======================= Grid point 623 (308/337) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 0.544 -1.499 -7.243) 7.416 1.935 ( -5.092 -1.838 1.352) 5.580 2.760 ( 9.748 1.530 -8.519) 13.037 2.815 ( 0.043 -0.451 8.018) 8.030 3.149 ( -2.206 -1.815 -8.502) 8.970 3.246 ( -0.681 1.844 1.432) 2.432 3.575 ( -1.000 2.220 9.932) 10.226 3.660 ( 8.887 -0.563 3.855) 9.704 4.239 ( -0.978 -1.972 -6.780) 7.128 4.422 ( 1.623 -1.827 4.997) 5.563 5.674 ( -2.724 5.827 -11.202) 12.917 5.847 ( -0.759 2.892 3.683) 4.744 5.924 ( -1.202 0.739 -8.190) 8.311 6.031 ( -7.976 -0.908 11.583) 14.092 7.741 ( -11.887 0.163 7.002) 13.797 7.829 ( 7.052 0.327 -11.843) 13.787 8.670 ( -3.018 -0.439 -11.132) 11.542 8.891 ( -9.042 0.457 14.335) 16.955 9.099 ( 4.527 4.074 -7.562) 9.709 9.315 ( 4.301 2.086 8.118) 9.421 10.208 ( 5.678 -2.888 -15.819) 17.054 10.377 ( -2.160 -6.320 7.071) 9.727 10.827 ( -13.491 -0.159 -7.225) 15.305 11.319 ( 8.946 -0.268 4.673) 10.097 11.916 ( -5.888 -1.010 -11.932) 13.344 12.486 ( 14.905 -0.105 10.773) 18.391 13.018 ( -14.136 1.563 7.728) 16.186 13.210 ( 8.966 1.680 -6.646) 11.286 15.073 ( -16.522 -0.291 7.586) 18.182 15.411 ( 13.308 -0.902 -2.898) 13.650 15.703 ( -2.930 -0.273 -4.602) 5.462 15.961 ( 5.908 -0.736 4.054) 7.203 17.369 ( -12.048 1.071 -0.826) 12.124 17.619 ( 4.352 1.297 0.272) 4.550 18.295 ( 2.819 1.012 -5.235) 6.031 18.424 ( 3.476 -0.052 5.833) 6.790 ======================= Grid point 624 (309/337) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -0.714 -5.473 -1.535) 5.728 1.873 ( -3.125 -5.358 -6.820) 9.219 2.797 ( 9.826 2.016 -5.720) 11.547 2.917 ( -1.925 -0.460 8.083) 8.322 3.061 ( 5.173 -3.718 -12.050) 13.630 3.253 ( 0.449 6.408 6.925) 9.446 3.646 ( 2.137 5.757 5.710) 8.385 3.822 ( 5.247 -2.233 4.656) 7.362 4.204 ( 2.156 -3.110 -3.878) 5.419 4.515 ( 0.531 -3.816 4.248) 5.735 5.409 ( -4.439 8.021 -14.755) 17.371 5.745 ( -11.491 4.351 -2.727) 12.586 5.858 ( 0.815 2.057 1.151) 2.494 6.055 ( -6.198 0.123 9.339) 11.210 7.669 ( -8.445 -0.408 5.213) 9.933 7.734 ( 0.989 0.351 -13.324) 13.365 8.535 ( -3.057 -3.458 -7.798) 9.062 8.906 ( -11.692 0.572 13.928) 18.195 9.031 ( 3.377 7.893 -4.921) 9.896 9.391 ( 0.982 4.759 3.275) 5.860 10.132 ( 7.111 -0.691 -15.765) 17.309 10.496 ( -3.299 -11.281 4.211) 12.486 10.616 ( -3.384 -2.612 -8.016) 9.085 11.424 ( 2.152 2.708 -0.143) 3.462 11.776 ( -1.865 -5.762 -5.991) 8.519 12.676 ( 3.460 1.513 -5.515) 6.684 13.026 ( -0.753 2.861 19.503) 19.726 13.209 ( 5.767 1.960 -6.280) 8.748 14.971 ( -15.155 -0.541 12.159) 19.437 15.482 ( 0.997 -4.388 -7.034) 8.350 15.704 ( 9.911 2.311 -1.229) 10.251 16.083 ( 4.291 -1.178 3.478) 5.648 17.178 ( -12.681 1.344 -0.666) 12.769 17.640 ( 0.653 1.725 0.338) 1.875 18.265 ( 3.491 2.726 -4.995) 6.676 18.555 ( 5.661 -0.248 5.420) 7.842 ======================= Grid point 625 (310/337) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -4.226 -5.419 -7.667) 10.296 1.959 ( 3.647 -11.105 1.090) 11.739 2.854 ( 3.387 -1.048 -0.784) 3.631 2.912 ( -2.530 -2.288 -0.678) 3.478 3.098 ( 10.572 2.813 -6.560) 12.756 3.313 ( 2.808 6.553 10.239) 12.476 3.640 ( 3.319 7.087 -2.417) 8.190 3.959 ( 1.635 -3.998 6.807) 8.062 4.254 ( 4.450 -0.684 -0.101) 4.503 4.593 ( -1.170 -4.917 3.142) 5.952 5.110 ( -1.786 6.521 -17.141) 18.427 5.478 ( -16.471 5.510 -2.007) 17.484 5.869 ( -0.574 2.719 3.966) 4.843 6.077 ( -3.032 0.755 6.464) 7.179 7.573 ( -2.954 -0.391 -11.296) 11.682 7.647 ( -3.329 -1.484 3.591) 5.117 8.469 ( -1.652 -5.985 -5.657) 8.399 8.869 ( -12.842 2.509 10.974) 17.078 8.949 ( 1.504 7.754 -1.873) 8.118 9.335 ( -3.940 4.401 -1.638) 6.130 10.060 ( 7.811 4.323 -11.794) 14.792 10.491 ( -0.448 -4.787 -4.199) 6.383 10.678 ( 0.691 -12.204 0.031) 12.224 11.327 ( -2.798 5.803 -5.727) 8.619 11.850 ( 3.703 -11.005 1.242) 11.677 12.567 ( -3.897 2.238 -4.754) 6.542 13.041 ( -1.324 7.918 -5.475) 9.718 13.391 ( 10.603 -1.006 13.107) 16.888 14.946 ( -12.342 -0.682 15.384) 19.735 15.425 ( -0.771 -5.255 -9.065) 10.506 15.828 ( 11.571 2.919 -0.967) 11.972 16.175 ( 2.195 -1.315 2.968) 3.919 16.996 ( -11.121 1.097 -0.310) 11.179 17.626 ( -1.203 1.267 0.554) 1.832 18.227 ( 3.059 3.729 -4.555) 6.634 18.691 ( 5.270 -0.227 4.372) 6.851 ======================= Grid point 626 (311/337) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -2.738 -3.756 -5.462) 7.172 2.133 ( 3.726 -9.153 2.412) 10.173 2.852 ( -4.826 -2.906 1.800) 5.914 2.951 ( 4.944 -4.493 -3.548) 7.564 3.104 ( 5.733 9.456 -1.734) 11.193 3.404 ( 1.497 1.934 4.133) 4.802 3.611 ( 4.587 4.564 -0.577) 6.496 4.087 ( 1.878 -1.258 7.038) 7.392 4.285 ( -1.040 0.264 -0.770) 1.321 4.636 ( -0.914 -3.196 0.868) 3.436 4.916 ( 7.793 1.448 -15.791) 17.669 5.183 ( -18.517 5.340 2.185) 19.395 5.881 ( -0.740 2.060 3.304) 3.964 6.103 ( -0.708 0.617 3.254) 3.386 7.429 ( -2.783 -0.524 -6.760) 7.329 7.678 ( -0.307 -1.832 2.590) 3.187 8.467 ( 1.380 -6.805 -4.348) 8.192 8.762 ( -10.894 5.073 5.974) 13.420 8.919 ( 1.999 5.009 2.250) 5.844 9.195 ( -6.039 1.667 -4.751) 7.862 10.008 ( 5.339 4.708 -6.024) 9.326 10.534 ( 5.297 -4.549 -2.018) 7.268 10.740 ( -4.474 -6.428 -0.419) 7.843 11.185 ( -1.927 3.745 -4.192) 5.942 12.057 ( 6.206 -11.510 4.040) 13.686 12.465 ( -1.999 1.660 -2.718) 3.760 12.844 ( -4.783 8.690 -6.769) 12.009 13.649 ( 7.410 -0.235 7.655) 10.657 14.983 ( -7.548 -0.375 13.412) 15.395 15.361 ( 0.383 -3.926 -8.558) 9.424 15.926 ( 7.467 2.152 -1.062) 7.843 16.232 ( 0.544 -0.972 1.958) 2.253 16.860 ( -6.923 0.623 -0.068) 6.952 17.605 ( -1.297 0.575 0.474) 1.496 18.187 ( 1.838 2.775 -2.931) 4.435 18.791 ( 3.069 -0.116 2.503) 3.962 ======================= Grid point 627 (312/337) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 302 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 0.000 -0.000 -0.000) 0.000 2.222 ( 0.000 -0.000 0.000) 0.000 2.842 ( 0.000 -0.000 0.000) 0.000 2.998 ( 0.000 0.000 -0.000) 0.000 3.077 ( 0.000 -0.000 -0.000) 0.000 3.416 ( 0.000 -0.000 -0.000) 0.000 3.641 ( 0.000 -0.000 -0.000) 0.000 4.174 ( -0.000 -0.000 -0.000) 0.000 4.229 ( 0.000 -0.000 -0.000) 0.000 4.651 ( 0.000 0.000 -0.000) 0.000 4.928 ( -0.000 -0.000 -0.000) 0.000 4.988 ( 0.000 -0.000 -0.000) 0.000 5.885 ( 0.000 -0.000 -0.000) 0.000 6.115 ( 0.000 -0.000 -0.000) 0.000 7.371 ( 0.000 -0.000 -0.000) 0.000 7.703 ( 0.000 -0.000 -0.000) 0.000 8.501 ( 0.000 -0.000 -0.000) 0.000 8.676 ( 0.000 -0.000 0.000) 0.000 8.941 ( 0.000 -0.000 0.000) 0.000 9.095 ( -0.000 -0.000 -0.000) 0.000 9.989 ( 0.000 -0.000 -0.000) 0.000 10.621 ( 0.000 -0.000 -0.000) 0.000 10.692 ( -0.000 -0.000 -0.000) 0.000 11.132 ( 0.000 -0.000 -0.000) 0.000 12.218 ( 0.000 -0.000 -0.000) 0.000 12.423 ( 0.000 -0.000 -0.000) 0.000 12.696 ( 0.000 -0.000 -0.000) 0.000 13.747 ( 0.000 -0.000 -0.000) 0.000 15.018 ( 0.000 -0.000 -0.000) 0.000 15.327 ( 0.000 -0.000 -0.000) 0.000 15.963 ( 0.000 -0.000 -0.000) 0.000 16.251 ( 0.000 -0.000 -0.000) 0.000 16.808 ( 0.000 -0.000 -0.000) 0.000 17.596 ( 0.000 -0.000 -0.000) 0.000 18.169 ( 0.000 -0.000 -0.000) 0.000 18.827 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 634 (313/337) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 335 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 1.212 -0.000 -7.046) 7.150 1.831 ( -6.574 0.000 -2.649) 7.087 2.815 ( 11.261 -0.000 -9.375) 14.653 2.912 ( -3.145 0.000 8.533) 9.094 3.025 ( 4.054 -0.000 -8.338) 9.271 3.317 ( 1.679 -0.000 7.459) 7.646 3.711 ( 3.344 -0.000 9.025) 9.624 3.792 ( 4.003 -0.000 0.925) 4.109 4.172 ( 3.098 -0.000 -3.689) 4.817 4.478 ( 0.243 -0.000 3.913) 3.921 5.486 ( -6.523 0.000 -14.622) 16.011 5.783 ( -9.404 0.000 -5.262) 10.776 5.876 ( 3.162 -0.000 -1.940) 3.710 6.057 ( -8.943 0.000 13.442) 16.144 7.665 ( -9.856 0.000 6.225) 11.658 7.736 ( 0.847 -0.000 -13.580) 13.607 8.501 ( -4.285 0.000 -8.141) 9.200 8.911 ( -11.861 0.000 14.581) 18.796 9.109 ( 2.652 -0.000 -4.757) 5.447 9.432 ( 0.743 -0.000 2.995) 3.086 10.122 ( 11.207 -0.000 -17.785) 21.022 10.384 ( -0.668 0.000 3.695) 3.755 10.606 ( -5.255 0.000 -7.310) 9.003 11.453 ( 2.997 -0.000 5.020) 5.847 11.719 ( -4.060 0.000 -9.955) 10.751 12.690 ( 4.033 -0.000 -5.172) 6.559 13.051 ( -0.979 0.000 21.922) 21.944 13.227 ( 4.693 -0.000 -8.180) 9.430 14.966 ( -15.337 0.000 12.481) 19.774 15.442 ( 1.242 -0.000 -7.749) 7.848 15.725 ( 9.960 -0.000 -0.527) 9.974 16.072 ( 4.592 -0.000 3.177) 5.584 17.190 ( -12.658 0.000 -1.225) 12.717 17.654 ( -0.461 0.000 0.655) 0.800 18.291 ( 4.199 -0.000 -5.326) 6.782 18.553 ( 5.457 -0.000 5.797) 7.962 ======================= Grid point 635 (314/337) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -2.611 -0.490 -4.846) 5.526 1.797 ( 3.293 -6.286 -1.882) 7.341 2.836 ( 0.761 -0.282 -3.972) 4.054 2.857 ( -0.850 -2.661 -5.324) 6.012 3.140 ( 11.710 1.364 2.094) 11.974 3.431 ( 1.214 4.926 11.678) 12.732 3.741 ( -1.063 3.021 -5.416) 6.293 3.895 ( 6.946 -2.195 6.382) 9.685 4.245 ( 6.564 -0.336 1.380) 6.715 4.513 ( -3.008 -3.018 3.232) 5.348 5.197 ( -4.789 2.737 -18.610) 19.410 5.550 ( -15.934 2.292 -2.812) 16.342 5.903 ( 4.151 1.172 -1.459) 4.553 6.080 ( -7.121 -0.295 9.573) 11.934 7.573 ( -3.217 0.450 -9.968) 10.484 7.625 ( -5.633 -0.961 4.740) 7.425 8.386 ( -3.352 -2.820 -4.820) 6.513 8.899 ( -12.569 0.851 13.116) 18.186 9.053 ( -1.699 3.354 -2.398) 4.460 9.386 ( -5.546 1.357 -3.886) 6.907 10.078 ( 11.650 -0.759 -19.721) 22.917 10.438 ( 0.216 -2.874 2.439) 3.776 10.562 ( 7.085 -0.647 -1.870) 7.356 11.461 ( -1.848 8.775 -0.953) 9.018 11.652 ( 0.116 -10.765 -1.445) 10.863 12.594 ( -4.644 0.784 -4.672) 6.634 13.144 ( -0.088 3.335 -8.518) 9.148 13.371 ( 8.303 -0.979 17.854) 19.714 14.940 ( -12.867 -0.069 16.772) 21.139 15.354 ( 0.388 -2.269 -9.974) 10.236 15.872 ( 11.983 1.567 -0.771) 12.110 16.155 ( 2.347 -0.727 2.571) 3.557 17.010 ( -10.959 0.391 -1.293) 11.042 17.634 ( -3.775 0.006 1.379) 4.019 18.278 ( 3.820 1.676 -5.564) 6.954 18.691 ( 5.186 0.070 5.007) 7.209 ======================= Grid point 636 (315/337) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 1.663 1.481 -2.040) 3.020 1.953 ( 6.339 -10.431 3.018) 12.573 2.786 ( -3.648 -3.564 -0.767) 5.158 2.840 ( 1.527 -5.155 -7.258) 9.032 3.291 ( 10.380 8.078 3.414) 13.589 3.473 ( -2.774 6.005 3.479) 7.474 3.660 ( -2.326 -0.124 1.265) 2.651 4.086 ( 8.806 0.930 5.964) 10.676 4.303 ( -0.268 2.109 -0.397) 2.163 4.538 ( -3.485 -6.887 2.621) 8.152 4.943 ( 4.795 1.281 -20.082) 20.686 5.268 ( -17.951 3.816 -0.009) 18.352 5.922 ( 1.379 2.692 0.316) 3.041 6.085 ( -3.248 -2.515 1.800) 4.485 7.442 ( -3.269 1.725 -2.772) 4.620 7.642 ( -1.783 -2.019 4.552) 5.289 8.357 ( 0.545 -5.085 -2.542) 5.711 8.840 ( -12.251 3.514 9.625) 15.971 8.987 ( -1.540 2.686 0.391) 3.121 9.203 ( -9.373 -0.489 -7.441) 11.978 10.000 ( 7.439 -3.433 -19.691) 21.328 10.502 ( 2.288 -1.843 2.727) 4.008 10.700 ( 9.286 2.775 4.272) 10.592 11.320 ( -0.993 10.706 -2.524) 11.044 11.818 ( 3.878 -14.941 4.101) 15.971 12.489 ( -3.474 0.967 -2.217) 4.233 12.972 ( -4.243 5.330 -9.143) 11.402 13.641 ( 4.684 -0.579 11.244) 12.194 14.990 ( -8.226 0.893 17.080) 18.978 15.282 ( 1.847 -4.210 -9.853) 10.872 15.984 ( 9.516 3.510 -2.275) 10.395 16.208 ( 0.261 -1.588 1.934) 2.516 16.868 ( -6.742 0.262 -1.315) 6.874 17.594 ( -5.539 -1.212 2.314) 6.123 18.240 ( 2.650 2.644 -5.418) 6.585 18.795 ( 2.985 0.406 3.408) 4.549 ======================= Grid point 637 (316/337) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 5.126 4.686 3.484) 7.770 2.165 ( 5.247 -6.271 4.497) 9.331 2.784 ( 2.165 -6.243 -6.315) 9.140 2.837 ( -3.372 -7.294 0.218) 8.039 3.273 ( -2.426 10.587 -1.465) 10.960 3.443 ( 2.327 3.661 2.324) 4.921 3.645 ( -8.044 0.296 4.058) 9.015 4.213 ( -2.251 2.824 -4.337) 5.643 4.231 ( 5.444 1.470 3.655) 6.720 4.588 ( -3.355 -6.308 2.565) 7.591 4.892 ( 14.324 -2.894 -13.879) 20.155 5.032 ( -13.170 3.420 3.979) 14.177 5.894 ( -0.895 0.966 -2.471) 2.800 6.083 ( -0.061 -3.217 -2.673) 4.183 7.401 ( -1.398 2.990 4.846) 5.863 7.693 ( -0.470 -1.133 3.259) 3.482 8.439 ( 7.335 -5.141 -0.897) 9.002 8.736 ( -9.679 5.071 6.157) 12.543 8.928 ( -5.384 -1.158 -5.268) 7.621 9.068 ( -2.909 -2.977 1.250) 4.346 9.910 ( 2.637 -6.582 -15.305) 16.868 10.583 ( 1.134 -3.198 2.370) 4.140 10.826 ( 7.427 11.628 9.151) 16.556 11.219 ( 2.471 9.477 -0.473) 9.805 12.078 ( 4.503 -13.721 6.290) 15.751 12.434 ( -1.027 0.646 -0.965) 1.550 12.755 ( -5.465 5.002 -6.832) 10.078 13.741 ( -3.288 -0.543 3.610) 4.913 15.041 ( 0.504 2.512 1.537) 2.988 15.285 ( 0.122 -4.293 2.732) 5.090 16.006 ( 2.782 4.407 -2.502) 5.781 16.237 ( 0.251 -1.614 0.062) 1.634 16.805 ( 0.119 -0.288 -1.417) 1.450 17.565 ( -5.668 -2.922 3.049) 7.068 18.189 ( 1.160 1.875 -4.030) 4.593 18.835 ( -0.135 0.788 1.075) 1.340 ======================= Grid point 638 (317/337) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 6.162 7.419 8.127) 12.612 2.255 ( 1.077 4.169 1.088) 4.441 2.808 ( -1.498 -11.669 -4.406) 12.563 2.880 ( 2.695 -1.753 -0.094) 3.217 3.121 ( -8.391 3.304 1.139) 9.090 3.415 ( -7.551 2.543 -1.010) 8.031 3.553 ( -4.677 0.182 2.049) 5.110 4.127 ( 1.108 3.169 -6.144) 7.002 4.286 ( 0.633 0.229 0.063) 0.676 4.624 ( -1.440 -4.487 2.184) 5.194 4.908 ( -7.617 0.721 9.056) 11.855 5.090 ( 18.060 -5.132 -4.733) 19.363 5.841 ( 0.489 -2.573 -6.975) 7.451 6.076 ( 0.598 -1.796 -3.109) 3.640 7.455 ( 0.189 2.055 9.642) 9.860 7.705 ( -0.477 1.222 0.153) 1.321 8.574 ( 3.006 3.667 4.502) 6.538 8.679 ( 3.294 -2.771 -0.906) 4.399 8.817 ( -5.711 -5.988 -3.620) 9.032 9.142 ( 3.249 -4.212 2.229) 5.768 9.864 ( -0.546 -9.135 -6.201) 11.055 10.622 ( -0.955 1.838 3.199) 3.811 10.914 ( 6.502 14.341 9.663) 18.475 11.214 ( 5.119 6.786 2.682) 8.913 12.189 ( -4.859 1.754 -0.474) 5.187 12.434 ( 0.488 -1.456 2.332) 2.793 12.695 ( 2.451 -6.807 1.906) 7.481 13.647 ( -10.610 -0.423 -3.617) 11.217 15.005 ( 7.655 1.969 -12.265) 14.591 15.394 ( -0.891 -0.459 11.591) 11.634 15.933 ( -4.688 3.254 -1.453) 5.889 16.238 ( 0.151 -0.405 -2.254) 2.295 16.846 ( 7.243 -0.972 -1.515) 7.464 17.561 ( -4.486 -4.163 2.946) 6.792 18.157 ( -0.412 -0.517 -1.191) 1.362 18.801 ( -3.220 1.037 -1.459) 3.683 ======================= Grid point 639 (318/337) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 4.246 7.887 8.902) 12.629 2.164 ( -1.836 11.473 -1.769) 11.753 2.810 ( -9.131 -7.437 0.913) 11.812 2.924 ( 9.124 0.524 -6.954) 11.484 3.058 ( -7.299 -2.618 7.596) 10.855 3.234 ( -12.060 -3.117 -2.853) 12.779 3.556 ( -0.242 -0.376 1.439) 1.507 4.015 ( -2.540 2.357 -7.742) 8.483 4.273 ( -1.345 1.465 1.150) 2.297 4.648 ( 0.867 0.272 -2.447) 2.610 4.994 ( -2.149 -5.642 14.250) 15.476 5.366 ( 16.919 -6.998 -0.191) 18.310 5.804 ( 2.590 -4.485 -8.494) 9.948 6.064 ( 1.530 -0.444 -3.164) 3.542 7.573 ( -0.477 -0.751 11.564) 11.598 7.681 ( 1.829 2.252 -1.982) 3.513 8.576 ( -2.004 5.558 6.970) 9.138 8.791 ( -0.623 -7.617 0.887) 7.693 8.823 ( 9.035 -4.575 -6.295) 11.925 9.234 ( 2.853 -6.734 -2.960) 7.890 9.940 ( 1.536 -7.668 5.296) 9.445 10.621 ( 0.604 7.464 5.727) 9.427 10.933 ( 3.252 15.812 3.437) 16.505 11.291 ( 4.214 2.967 6.849) 8.571 12.023 ( -6.648 8.069 -1.614) 10.579 12.517 ( 2.517 -3.258 4.583) 6.161 12.874 ( 2.589 -10.728 4.073) 11.764 13.401 ( -13.797 0.099 -8.924) 16.432 14.967 ( 11.959 1.660 -14.412) 18.801 15.508 ( 0.539 2.862 10.544) 10.938 15.801 ( -9.971 1.118 -0.432) 10.043 16.195 ( -1.383 0.738 -3.604) 3.930 16.972 ( 11.535 -1.574 -1.385) 11.724 17.576 ( -3.333 -4.479 1.981) 5.924 18.164 ( -1.542 -2.964 1.985) 3.887 18.702 ( -5.477 1.064 -3.519) 6.596 ======================= Grid point 640 (319/337) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 1.897 5.686 2.328) 6.430 2.029 ( -1.839 11.000 3.190) 11.600 2.745 ( -8.172 -3.858 1.838) 9.222 2.922 ( -1.730 -0.309 -4.718) 5.035 3.098 ( -2.106 -5.144 3.538) 6.589 3.153 ( -0.666 0.483 3.856) 3.943 3.556 ( -0.504 -3.184 -3.941) 5.092 3.851 ( -7.031 1.026 -6.482) 9.618 4.267 ( 0.144 3.854 3.851) 5.450 4.588 ( -0.668 3.628 -4.503) 5.821 5.234 ( 1.450 -10.857 13.996) 17.773 5.625 ( 11.270 -9.115 -3.143) 14.831 5.810 ( 3.973 -3.032 -2.815) 5.736 6.056 ( 3.248 0.359 -3.995) 5.161 7.668 ( 2.924 -1.214 -0.445) 3.197 7.722 ( 0.030 -0.788 8.882) 8.917 8.602 ( -0.136 3.569 7.464) 8.274 8.861 ( -2.710 -8.268 2.545) 9.066 8.899 ( 9.680 -2.301 -8.312) 12.965 9.268 ( -0.910 -8.661 -5.312) 10.201 10.131 ( 4.631 -0.810 12.065) 12.948 10.663 ( 7.007 7.412 4.763) 11.257 10.803 ( -1.754 17.277 -0.264) 17.368 11.390 ( -1.034 -0.022 5.524) 5.620 11.893 ( -1.573 6.818 2.548) 7.447 12.635 ( -1.996 -3.192 6.097) 7.166 12.946 ( 0.781 -6.315 -12.559) 14.079 13.166 ( -9.170 -2.635 1.124) 9.607 14.987 ( 14.842 1.307 -11.679) 18.931 15.590 ( 0.201 7.463 6.082) 9.630 15.650 ( -10.777 -3.535 2.424) 11.598 16.108 ( -3.361 1.451 -4.221) 5.588 17.145 ( 12.833 -2.280 -0.904) 13.065 17.587 ( -3.555 -4.357 1.088) 5.728 18.206 ( -1.738 -3.598 3.959) 5.625 18.564 ( -6.163 0.812 -4.749) 7.822 ======================= Grid point 641 (320/337) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 2.929 4.136 -0.162) 5.071 1.993 ( -1.970 4.592 3.893) 6.334 2.717 ( -4.812 -2.972 3.721) 6.770 2.817 ( -4.413 -0.565 -4.283) 6.176 3.172 ( -1.329 -2.402 7.294) 7.793 3.226 ( 6.514 2.789 1.006) 7.157 3.514 ( 0.261 -3.947 -7.226) 8.238 3.671 ( -8.878 0.554 -4.470) 9.955 4.298 ( 1.375 4.239 5.871) 7.371 4.479 ( -1.661 4.183 -5.370) 7.006 5.507 ( 0.323 -11.885 13.141) 17.721 5.724 ( 5.344 -10.261 -11.897) 16.594 5.917 ( 2.419 -0.464 7.967) 8.339 6.048 ( 4.306 0.775 -6.211) 7.598 7.730 ( 8.929 -1.389 -4.758) 10.212 7.809 ( -6.104 -2.257 9.857) 11.811 8.682 ( 1.093 0.787 8.943) 9.044 8.867 ( 3.776 -2.629 -9.682) 10.719 8.996 ( 1.020 -6.021 5.027) 7.909 9.234 ( -3.856 -6.951 -7.259) 10.764 10.301 ( 1.456 6.974 14.005) 15.713 10.577 ( 0.067 15.222 -7.366) 16.911 10.844 ( 12.772 2.297 6.950) 14.721 11.329 ( -9.983 0.955 -1.813) 10.191 11.952 ( 5.270 2.975 10.016) 11.702 12.490 ( -14.646 0.253 -9.379) 17.394 12.964 ( 13.156 -4.525 -7.279) 15.701 13.152 ( -8.978 -4.758 6.216) 11.912 15.083 ( 16.318 0.934 -7.284) 17.894 15.436 ( -14.561 1.517 1.485) 14.715 15.718 ( 3.996 1.714 6.269) 7.629 15.985 ( -5.143 1.767 -4.637) 7.147 17.333 ( 12.043 -2.889 -0.301) 12.388 17.573 ( -5.643 -3.900 0.567) 6.883 18.264 ( -0.987 -2.338 4.717) 5.356 18.426 ( -4.557 0.210 -5.230) 6.940 ======================= Grid point 642 (321/337) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 3.586 1.962 -6.311) 7.519 1.955 ( -3.586 1.962 6.311) 7.519 2.746 ( 5.642 -1.172 -9.266) 10.912 2.746 ( -5.642 -1.172 9.266) 10.912 3.246 ( 2.268 0.616 -5.962) 6.409 3.246 ( -2.268 0.616 5.962) 6.409 3.529 ( -0.016 -1.037 -3.443) 3.595 3.529 ( 0.016 -1.037 3.443) 3.595 4.356 ( -1.497 3.214 -6.292) 7.222 4.356 ( 1.497 3.214 6.292) 7.222 5.729 ( 2.340 -9.099 -11.318) 14.710 5.729 ( -2.340 -9.099 11.318) 14.710 6.008 ( 4.414 0.820 -9.997) 10.959 6.008 ( -4.414 0.820 9.997) 10.959 7.809 ( 10.679 -1.142 -8.166) 13.492 7.809 ( -10.679 -1.142 8.166) 13.492 8.806 ( 2.823 -1.622 -12.326) 12.748 8.806 ( -2.823 -1.622 12.326) 12.748 9.139 ( -1.383 -4.127 -9.178) 10.158 9.139 ( 1.383 -4.127 9.178) 10.158 10.369 ( 1.869 9.047 -11.757) 14.952 10.369 ( -1.869 9.047 11.757) 14.952 11.103 ( -14.490 0.711 -5.438) 15.493 11.103 ( 14.490 0.711 5.438) 15.493 12.175 ( -9.856 0.994 -13.291) 16.576 12.175 ( 9.856 0.994 13.291) 16.576 13.110 ( 11.897 -3.336 -5.339) 13.460 13.110 ( -11.897 -3.336 5.339) 13.460 15.241 ( -16.010 0.693 3.497) 16.402 15.241 ( 16.010 0.693 -3.497) 16.402 15.837 ( -5.094 1.494 -5.602) 7.718 15.837 ( 5.094 1.494 5.602) 7.718 17.505 ( -6.101 -2.661 -1.790) 6.892 17.505 ( 6.101 -2.661 1.790) 6.892 18.330 ( -0.420 -0.674 -5.543) 5.599 18.330 ( 0.420 -0.674 5.543) 5.599 ======================= Grid point 646 (322/337) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 4.352 -0.000 0.807) 4.426 1.823 ( 6.503 -0.000 1.524) 6.679 2.752 ( -3.913 0.000 -0.742) 3.983 2.793 ( 1.191 -0.000 -8.490) 8.573 3.358 ( 11.999 -0.000 4.932) 12.974 3.593 ( -6.647 0.000 -8.636) 10.898 3.601 ( -2.737 0.000 13.792) 14.061 4.099 ( 11.419 -0.000 4.239) 12.181 4.345 ( 4.592 -0.000 0.753) 4.653 4.447 ( -8.744 0.000 3.147) 9.293 4.955 ( 3.279 -0.000 -21.799) 22.044 5.304 ( -17.786 0.000 -0.753) 17.802 5.959 ( 5.471 -0.000 -1.814) 5.764 6.045 ( -7.407 0.000 1.925) 7.653 7.465 ( -2.938 0.000 -1.136) 3.150 7.619 ( -2.872 0.000 5.491) 6.196 8.309 ( 0.210 -0.000 -1.855) 1.867 8.874 ( -12.364 0.000 11.587) 16.945 9.012 ( -3.203 0.000 -0.229) 3.211 9.194 ( -10.889 0.000 -9.296) 14.317 9.961 ( 8.138 -0.000 -22.461) 23.890 10.475 ( 1.534 -0.000 2.939) 3.315 10.747 ( 15.105 -0.000 4.087) 15.648 11.528 ( 3.829 -0.000 -3.550) 5.221 11.570 ( -2.308 0.000 6.847) 7.226 12.497 ( -4.033 0.000 -1.984) 4.495 13.021 ( -3.771 0.000 -10.146) 10.824 13.634 ( 3.562 -0.000 12.828) 13.313 15.001 ( -9.117 0.000 20.431) 22.373 15.239 ( 3.187 -0.000 -12.583) 12.980 16.021 ( 11.060 -0.000 -2.580) 11.357 16.190 ( -0.725 0.000 2.077) 2.199 16.870 ( -6.683 0.000 -1.809) 6.923 17.581 ( -6.937 0.000 2.708) 7.447 18.265 ( 2.737 -0.000 -6.078) 6.666 18.799 ( 2.952 -0.000 3.784) 4.799 ======================= Grid point 647 (323/337) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 8.654 7.481 5.962) 12.900 2.021 ( 7.914 -8.667 6.615) 13.473 2.699 ( -0.893 -2.077 -8.093) 8.403 2.744 ( 0.366 -3.444 0.030) 3.464 3.371 ( -9.812 1.697 -7.197) 12.286 3.551 ( 8.363 6.033 6.222) 12.044 3.642 ( -11.470 -0.914 7.567) 13.772 4.217 ( 3.217 -0.284 -2.603) 4.148 4.322 ( -0.032 6.095 0.612) 6.125 4.463 ( -4.748 -6.935 6.194) 10.440 4.845 ( 15.606 -1.814 -19.832) 25.301 5.080 ( -13.989 1.549 2.318) 14.264 5.917 ( -4.065 1.325 -5.600) 7.045 6.023 ( 2.875 -2.696 -2.151) 4.490 7.455 ( -3.183 2.277 7.335) 8.314 7.669 ( -0.330 -1.116 5.392) 5.516 8.364 ( 7.690 -2.542 0.220) 8.102 8.817 ( -11.503 3.185 9.510) 15.262 8.915 ( -10.232 0.115 -9.285) 13.818 9.004 ( -2.638 -3.433 1.140) 4.477 9.820 ( 5.157 -2.838 -19.746) 20.605 10.537 ( 1.281 -1.504 3.279) 3.828 10.988 ( 13.655 4.965 6.401) 15.877 11.461 ( 2.765 17.257 4.036) 17.937 11.786 ( 4.199 -18.371 6.838) 20.048 12.441 ( -2.095 0.227 -0.433) 2.151 12.826 ( -6.206 2.318 -9.510) 11.590 13.732 ( -5.382 -0.346 6.010) 8.075 15.104 ( 0.732 4.531 2.618) 5.284 15.194 ( 0.390 -5.474 3.687) 6.611 16.093 ( 6.423 4.466 -4.022) 8.797 16.195 ( -1.543 -2.877 0.766) 3.353 16.800 ( 0.170 -0.191 -2.397) 2.410 17.519 ( -8.633 -1.653 4.320) 9.794 18.218 ( 1.266 0.983 -5.903) 6.116 18.848 ( -0.251 0.500 1.780) 1.866 ======================= Grid point 648 (324/337) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 7.542 9.459 9.795) 15.566 2.263 ( 5.360 -3.700 7.364) 9.831 2.631 ( -1.940 -6.585 -5.968) 9.097 2.830 ( 7.443 -3.591 -0.663) 8.291 3.139 ( -12.087 -0.245 -5.454) 13.263 3.429 ( -19.779 -0.328 -0.222) 19.783 3.660 ( 3.250 8.971 5.423) 10.974 4.195 ( 0.444 4.196 -4.255) 5.992 4.285 ( 0.148 -0.639 -1.518) 1.654 4.510 ( -4.125 -7.048 3.822) 9.017 4.925 ( 2.528 0.565 -0.331) 2.611 5.008 ( 9.841 -3.613 -2.916) 10.881 5.794 ( -1.166 -2.356 -9.489) 9.847 6.053 ( 2.507 -0.723 -1.830) 3.187 7.489 ( -3.925 1.514 9.989) 10.839 7.720 ( -0.432 0.565 3.021) 3.104 8.545 ( 12.481 -3.699 0.291) 13.021 8.698 ( -9.738 -0.951 -0.819) 9.819 8.749 ( -7.664 1.598 3.774) 8.692 9.058 ( 2.827 -4.723 -0.020) 5.505 9.734 ( 3.931 -5.088 -10.488) 12.302 10.610 ( 1.501 -1.576 3.802) 4.381 11.169 ( 10.914 10.684 7.477) 17.004 11.413 ( 3.674 16.117 6.310) 17.694 12.075 ( 1.370 -13.550 7.192) 15.401 12.424 ( -0.306 -0.107 0.248) 0.409 12.639 ( -4.191 -0.130 -5.287) 6.748 13.637 ( -13.229 -0.548 -0.280) 13.243 15.047 ( 8.520 2.420 -14.020) 16.583 15.358 ( -2.853 -2.839 16.311) 16.800 16.027 ( -2.365 6.485 -2.329) 7.285 16.213 ( 1.487 -2.571 -3.176) 4.349 16.828 ( 7.622 -0.890 -2.985) 8.234 17.481 ( -8.733 -4.110 5.605) 11.162 18.160 ( 0.055 0.457 -4.283) 4.308 18.822 ( -3.437 1.115 -0.612) 3.665 ======================= Grid point 649 (325/337) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 2.043 8.536 9.237) 12.742 2.345 ( 2.438 8.353 0.708) 8.730 2.643 ( -5.297 -9.818 2.778) 11.497 2.924 ( 2.049 -1.153 -7.705) 8.056 2.995 ( 0.397 -3.723 0.395) 3.765 3.167 ( -17.148 -3.978 -0.413) 17.608 3.634 ( -2.624 7.118 2.853) 8.105 4.060 ( -4.423 3.572 -6.599) 8.711 4.302 ( 1.600 1.560 1.704) 2.810 4.579 ( 1.151 -7.772 -1.199) 7.948 4.938 ( -4.075 -0.685 9.283) 10.161 5.238 ( 16.157 -7.128 -2.824) 17.884 5.725 ( 2.835 -3.902 -8.930) 10.149 6.065 ( 2.340 0.472 -1.916) 3.061 7.546 ( -4.469 -2.030 9.609) 10.790 7.715 ( -0.663 1.329 -0.257) 1.507 8.631 ( -5.742 -1.948 5.387) 8.111 8.686 ( -2.925 -1.559 2.862) 4.379 8.753 ( 8.473 -2.691 -0.325) 8.896 9.119 ( 5.169 -5.624 -8.373) 11.333 9.825 ( 8.758 -4.927 4.165) 10.877 10.691 ( 2.758 0.738 4.598) 5.412 11.233 ( 3.827 17.393 7.015) 19.141 11.431 ( 6.321 11.436 5.444) 14.156 12.113 ( -7.342 1.293 0.084) 7.456 12.459 ( 0.946 -2.989 3.522) 4.715 12.678 ( 2.536 -10.646 2.260) 11.175 13.397 ( -16.875 -0.422 -5.250) 17.678 15.001 ( 12.102 2.098 -14.692) 19.149 15.505 ( -3.738 -2.286 13.325) 14.027 15.885 ( -5.754 7.394 -1.364) 9.467 16.195 ( 0.211 -0.889 -4.798) 4.885 16.944 ( 12.368 -1.572 -3.396) 12.921 17.478 ( -7.745 -5.966 5.507) 11.221 18.127 ( -0.466 -1.287 -1.132) 1.776 18.726 ( -5.846 1.487 -2.774) 6.639 ======================= Grid point 650 (326/337) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 604 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -1.775 5.871 3.878) 7.256 2.238 ( -2.546 12.155 -0.702) 12.438 2.662 ( -7.383 -5.620 3.481) 9.911 2.889 ( -8.347 -3.667 0.959) 9.167 2.969 ( 2.046 -7.123 -5.195) 9.051 3.179 ( 7.138 0.915 3.942) 8.205 3.547 ( -5.534 0.902 -1.732) 5.868 3.884 ( -6.998 3.901 -4.523) 9.200 4.332 ( 2.154 3.233 3.021) 4.921 4.609 ( 0.638 -2.247 -4.343) 4.931 5.061 ( -1.370 -7.674 12.105) 14.398 5.443 ( 8.979 -10.661 -7.262) 15.717 5.760 ( 7.276 -2.560 -1.447) 7.848 6.068 ( 2.502 0.844 -2.440) 3.595 7.614 ( -3.306 -4.513 6.271) 8.404 7.703 ( -0.329 -1.645 0.325) 1.709 8.649 ( -3.582 1.407 7.828) 8.722 8.726 ( -3.377 -5.501 6.703) 9.305 8.862 ( 8.095 -2.822 -5.865) 10.387 9.117 ( 2.687 -7.349 -10.392) 13.008 10.115 ( 14.885 -0.771 11.038) 18.547 10.778 ( 5.609 4.469 5.084) 8.791 11.128 ( -2.114 18.728 0.956) 18.871 11.459 ( 0.281 8.086 4.815) 9.415 12.001 ( -3.515 4.995 1.926) 6.404 12.565 ( -0.328 -4.588 5.963) 7.531 12.804 ( 1.363 -9.542 -5.009) 10.863 13.122 ( -13.957 -2.145 -3.122) 14.462 15.016 ( 14.761 1.883 -11.712) 18.937 15.579 ( -8.611 -3.889 6.458) 11.445 15.742 ( -2.574 9.058 3.071) 9.905 16.128 ( -1.758 0.588 -5.361) 5.673 17.102 ( 13.404 -2.436 -3.242) 14.004 17.489 ( -6.950 -6.395 4.072) 10.285 18.149 ( 0.037 -2.741 2.240) 3.540 18.584 ( -6.886 1.333 -4.243) 8.197 ======================= Grid point 651 (327/337) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 1.771 4.649 -1.313) 5.145 2.098 ( -5.866 7.219 2.427) 9.614 2.661 ( -2.125 -3.339 1.966) 4.419 2.787 ( -7.716 -2.842 -1.434) 8.347 3.094 ( 3.224 -5.815 5.671) 8.739 3.296 ( 10.042 3.721 -3.972) 11.422 3.454 ( -5.187 -2.660 0.359) 5.840 3.700 ( -8.069 3.679 -3.885) 9.682 4.374 ( 2.166 3.952 4.734) 6.536 4.545 ( -1.268 2.446 -5.322) 5.993 5.285 ( -0.564 -12.372 12.760) 17.782 5.514 ( 4.315 -12.644 -12.364) 18.203 5.902 ( 5.929 -1.179 4.900) 7.782 6.058 ( 1.773 0.466 -3.683) 4.114 7.680 ( 2.778 -4.422 -0.188) 5.226 7.741 ( -3.680 -5.374 4.222) 7.762 8.693 ( -1.473 0.427 7.765) 7.915 8.796 ( -1.945 -4.520 1.526) 5.152 8.919 ( 5.519 -3.088 -2.252) 6.713 9.094 ( -0.703 -7.936 -8.361) 11.549 10.427 ( 12.741 6.582 12.169) 18.808 10.862 ( 3.491 13.104 -6.657) 15.107 10.927 ( 2.708 9.620 6.783) 12.078 11.365 ( -10.366 3.651 -0.487) 11.001 12.020 ( 4.530 4.633 7.930) 10.240 12.495 ( -13.510 0.417 -6.343) 14.930 12.860 ( 11.380 -7.134 -6.477) 14.911 13.046 ( -9.372 -7.029 5.159) 12.801 15.105 ( 16.082 1.501 -7.194) 17.682 15.452 ( -14.742 0.173 1.233) 14.794 15.772 ( 3.302 4.327 7.249) 9.065 16.018 ( -3.590 1.821 -5.590) 6.888 17.273 ( 12.202 -3.756 -2.470) 13.003 17.485 ( -7.522 -5.867 2.636) 9.897 18.220 ( 1.332 -2.444 4.174) 5.017 18.432 ( -5.979 0.503 -4.877) 7.732 ======================= Grid point 652 (328/337) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 307 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 4.051 3.719 -3.048) 6.288 2.005 ( -4.051 3.719 3.048) 6.288 2.714 ( 1.674 -2.348 -5.618) 6.315 2.714 ( -1.674 -2.348 5.618) 6.315 3.247 ( 1.025 -1.225 -10.918) 11.034 3.247 ( -1.025 -1.225 10.918) 11.034 3.520 ( -4.865 1.045 -6.053) 7.836 3.520 ( 4.865 1.045 6.053) 7.836 4.427 ( -1.208 4.196 -6.292) 7.658 4.427 ( 1.208 4.196 6.292) 7.658 5.528 ( 2.712 -12.909 -13.255) 18.700 5.528 ( -2.712 -12.909 13.255) 18.700 6.014 ( 2.151 -0.078 -7.809) 8.100 6.014 ( -2.151 -0.078 7.809) 8.100 7.764 ( 7.060 -4.248 -5.926) 10.149 7.764 ( -7.060 -4.248 5.926) 10.149 8.774 ( 3.073 -1.788 -9.487) 10.131 8.774 ( -3.073 -1.788 9.487) 10.131 9.044 ( -0.360 -6.034 -8.392) 10.342 9.044 ( 0.360 -6.034 8.392) 10.342 10.580 ( -3.981 13.759 -10.815) 17.948 10.580 ( 3.981 13.759 10.815) 17.948 11.127 ( -14.040 2.207 -5.163) 15.121 11.127 ( 14.040 2.207 5.163) 15.121 12.203 ( -9.663 2.282 -11.734) 15.371 12.203 ( 9.663 2.282 11.734) 15.371 13.024 ( 9.582 -6.313 -4.291) 12.251 13.024 ( -9.582 -6.313 4.291) 12.251 15.257 ( -13.704 1.067 2.238) 13.927 15.257 ( 13.704 1.067 -2.238) 13.927 15.874 ( -2.284 2.580 -7.717) 8.451 15.874 ( 2.284 2.580 7.717) 8.451 17.439 ( 0.469 -4.641 -4.569) 6.530 17.439 ( -0.469 -4.641 4.569) 6.530 18.316 ( -2.330 -0.920 -5.258) 5.825 18.316 ( 2.330 -0.920 5.258) 5.825 ======================= Grid point 658 (329/337) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 335 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 8.049 -0.000 10.228) 13.015 2.165 ( 5.583 -0.000 10.741) 12.105 2.581 ( 0.139 -0.000 -8.197) 8.198 2.789 ( 8.322 -0.000 -0.187) 8.324 3.135 ( -13.252 0.000 -6.975) 14.976 3.426 ( -21.626 0.000 -0.048) 21.626 3.758 ( 3.416 -0.000 6.313) 7.177 4.253 ( 3.820 -0.000 1.006) 3.950 4.263 ( -2.941 0.000 -6.522) 7.154 4.433 ( -6.929 0.000 3.863) 7.933 4.924 ( 21.836 -0.000 -10.806) 24.364 4.978 ( -7.921 0.000 4.646) 9.183 5.771 ( -1.857 0.000 -10.061) 10.231 6.047 ( 3.483 -0.000 -1.367) 3.741 7.503 ( -6.122 0.000 9.589) 11.376 7.725 ( -0.200 0.000 4.349) 4.353 8.508 ( 12.214 -0.000 0.802) 12.240 8.672 ( -9.911 0.000 -4.784) 11.005 8.790 ( -10.312 0.000 9.179) 13.805 9.006 ( 4.288 -0.000 -1.521) 4.550 9.689 ( 5.588 -0.000 -11.659) 12.929 10.594 ( 1.830 -0.000 4.245) 4.622 11.257 ( 14.311 -0.000 4.098) 14.887 11.694 ( -3.676 0.000 10.320) 10.955 11.823 ( 8.942 -0.000 8.377) 12.253 12.423 ( -0.652 0.000 0.145) 0.668 12.645 ( -6.380 0.000 -7.800) 10.076 13.632 ( -14.271 0.000 1.072) 14.311 15.073 ( 9.530 -0.000 -16.669) 19.200 15.326 ( -4.261 0.000 19.824) 20.277 16.122 ( -7.192 0.000 2.399) 7.581 16.157 ( 7.761 -0.000 -8.298) 11.362 16.820 ( 7.795 -0.000 -3.633) 8.600 17.441 ( -10.229 0.000 6.496) 12.118 18.165 ( 0.003 -0.000 -5.277) 5.277 18.833 ( -3.557 0.000 -0.282) 3.568 ======================= Grid point 659 (330/337) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -1.812 8.090 9.733) 12.785 2.384 ( 0.617 -5.581 11.418) 12.724 2.548 ( 6.329 0.837 -5.475) 8.411 2.877 ( -13.383 -2.806 -6.218) 15.021 2.955 ( 15.207 -0.881 -1.248) 15.283 3.118 ( -19.224 -1.305 -2.840) 19.476 3.733 ( -10.425 2.985 1.660) 10.970 4.169 ( -0.145 8.506 -2.917) 8.994 4.313 ( -0.553 -1.349 4.563) 4.790 4.414 ( 2.458 -8.552 -4.838) 10.128 4.949 ( -4.665 1.118 6.386) 7.987 5.133 ( 16.098 -3.888 -4.377) 17.130 5.677 ( 3.143 -1.418 -8.035) 8.744 6.074 ( 3.096 0.349 -1.775) 3.585 7.514 ( -7.097 -1.137 8.224) 10.922 7.727 ( -3.045 0.194 -0.146) 3.054 8.578 ( -5.187 -1.809 5.106) 7.499 8.657 ( 7.100 -1.721 -1.137) 7.393 8.756 ( -7.013 1.204 8.345) 10.967 9.049 ( 9.283 -2.098 -11.373) 14.830 9.768 ( 12.344 -1.606 4.116) 13.111 10.686 ( 3.453 -0.489 5.305) 6.349 11.464 ( 12.634 6.667 2.430) 14.491 11.667 ( -2.502 13.460 8.889) 16.324 12.043 ( -1.890 -8.107 5.823) 10.159 12.427 ( 0.469 -0.541 0.746) 1.034 12.537 ( -1.485 -4.327 -1.168) 4.722 13.390 ( -18.859 -0.253 -2.833) 19.072 15.032 ( 12.714 1.074 -15.891) 20.379 15.465 ( -6.298 -1.548 15.393) 16.703 16.015 ( -6.369 6.019 1.323) 8.862 16.160 ( 3.799 -2.743 -8.182) 9.429 16.922 ( 13.321 -0.727 -4.972) 14.237 17.394 ( -10.445 -2.790 7.990) 13.444 18.114 ( -0.227 -0.331 -2.937) 2.964 18.747 ( -6.192 0.713 -2.341) 6.659 ======================= Grid point 660 (331/337) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -5.528 5.968 5.452) 9.793 2.447 ( -3.088 11.200 -2.734) 11.936 2.544 ( -6.453 -7.318 7.411) 12.252 2.788 ( -3.443 -7.447 0.342) 8.212 2.882 ( -5.129 -2.523 -5.249) 7.760 3.190 ( 17.392 0.367 -1.023) 17.426 3.546 ( -13.703 -0.986 -1.525) 13.823 4.013 ( -6.551 10.153 -0.649) 12.100 4.372 ( 2.202 0.892 2.869) 3.725 4.500 ( 3.906 -8.970 -4.297) 10.685 4.981 ( -3.386 -1.753 9.044) 9.815 5.278 ( 7.690 -7.237 -8.305) 13.435 5.723 ( 8.598 -1.483 -0.421) 8.735 6.083 ( 2.456 0.778 -2.518) 3.603 7.530 ( -6.080 -4.244 6.613) 9.935 7.665 ( -3.508 -2.212 -2.664) 4.929 8.638 ( -4.277 -1.531 11.622) 12.478 8.693 ( -1.068 0.569 2.797) 3.048 8.798 ( 0.879 -3.793 1.937) 4.348 9.030 ( 8.677 -2.625 -16.026) 18.413 10.107 ( 20.243 -0.204 11.570) 23.317 10.816 ( 5.860 0.496 6.161) 8.517 11.444 ( -2.981 16.000 1.134) 16.315 11.627 ( -0.804 8.533 0.945) 8.623 12.063 ( -1.277 2.121 3.745) 4.489 12.484 ( 0.909 -3.952 4.129) 5.787 12.626 ( 1.277 -9.682 0.267) 9.769 13.093 ( -17.969 -1.179 -4.081) 18.464 15.048 ( 15.115 1.570 -12.464) 19.653 15.519 ( -9.419 -2.699 8.919) 13.250 15.897 ( -4.415 7.924 3.278) 9.645 16.122 ( 1.044 -1.368 -7.583) 7.776 17.065 ( 14.675 -1.583 -5.921) 15.903 17.382 ( -9.825 -5.049 7.706) 13.469 18.112 ( 1.057 -1.399 0.677) 1.880 18.607 ( -7.643 1.076 -3.956) 8.673 ======================= Grid point 661 (332/337) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -2.321 5.001 2.808) 6.187 2.236 ( -6.741 7.731 -3.243) 10.758 2.601 ( -1.387 -3.392 3.404) 5.002 2.724 ( -8.809 -3.991 0.981) 9.721 2.980 ( 8.342 -6.391 1.492) 10.614 3.317 ( 0.744 -2.225 -11.010) 11.257 3.442 ( 3.587 2.149 7.293) 8.407 3.811 ( -9.499 8.263 -1.175) 12.645 4.425 ( 2.232 1.599 3.320) 4.309 4.540 ( 0.725 -3.309 -4.479) 5.616 5.102 ( -1.906 -7.537 11.329) 13.740 5.307 ( 3.479 -9.960 -11.765) 15.802 5.880 ( 7.577 -1.160 4.117) 8.701 6.066 ( 0.631 0.438 -3.422) 3.508 7.578 ( -3.142 -6.555 4.489) 8.544 7.635 ( -1.765 -5.900 -2.275) 6.565 8.697 ( -3.696 0.055 8.152) 8.951 8.737 ( -0.805 -1.975 3.928) 4.470 8.861 ( 0.488 -3.655 2.244) 4.316 8.987 ( 6.122 -3.650 -13.930) 15.648 10.520 ( 21.396 3.889 11.470) 24.586 10.965 ( 7.739 2.768 4.896) 9.567 11.201 ( -8.806 15.963 -1.886) 18.328 11.458 ( -10.498 5.930 -4.167) 12.756 12.117 ( 5.908 6.551 6.646) 11.045 12.505 ( -9.900 0.694 -1.116) 9.987 12.715 ( 8.581 -9.055 -5.050) 13.458 12.914 ( -11.157 -7.501 2.489) 13.673 15.134 ( 16.033 1.574 -7.718) 17.864 15.444 ( -13.540 -0.909 3.333) 13.974 15.863 ( -0.210 5.548 6.762) 8.750 16.042 ( -1.010 0.729 -6.983) 7.093 17.209 ( 12.931 -3.170 -5.546) 14.422 17.378 ( -9.479 -5.714 5.993) 12.587 18.182 ( 3.260 -1.730 3.633) 5.179 18.443 ( -7.395 0.625 -4.809) 8.843 ======================= Grid point 662 (333/337) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -1.085 5.077 -2.294) 5.676 2.084 ( 1.085 5.077 2.294) 5.676 2.667 ( -2.977 -2.883 -1.382) 4.369 2.667 ( 2.977 -2.883 1.382) 4.369 3.186 ( -4.205 -5.293 -9.027) 11.278 3.186 ( 4.205 -5.293 9.027) 11.278 3.584 ( -8.800 5.790 -4.762) 11.560 3.584 ( 8.800 5.790 4.762) 11.560 4.484 ( -0.640 1.690 -5.546) 5.833 4.484 ( 0.640 1.690 5.546) 5.833 5.302 ( 2.551 -11.781 -12.906) 17.659 5.302 ( -2.551 -11.781 12.906) 17.659 6.009 ( -0.759 -0.419 -5.779) 5.844 6.009 ( 0.759 -0.419 5.779) 5.844 7.659 ( 3.081 -7.179 -4.611) 9.072 7.659 ( -3.081 -7.179 4.611) 9.072 8.746 ( 3.531 -1.364 -7.087) 8.034 8.746 ( -3.531 -1.364 7.087) 8.034 8.948 ( 4.452 -4.431 -10.723) 12.428 8.948 ( -4.452 -4.431 10.723) 12.428 10.814 ( -12.346 11.517 -9.288) 19.270 10.814 ( 12.346 11.517 9.288) 19.270 11.186 ( -10.728 4.607 -7.300) 13.770 11.186 ( 10.728 4.607 7.300) 13.770 12.261 ( -9.093 4.484 -9.231) 13.711 12.261 ( 9.093 4.484 9.231) 13.711 12.890 ( 2.614 -8.784 -2.198) 9.424 12.890 ( -2.614 -8.784 2.198) 9.424 15.276 ( -8.568 1.006 0.488) 8.641 15.276 ( 8.568 1.006 -0.488) 8.641 15.924 ( 1.832 2.865 -10.083) 10.641 15.924 ( -1.832 2.865 10.083) 10.641 17.350 ( 7.225 -5.111 -7.529) 11.619 17.350 ( -7.225 -5.111 7.529) 11.619 18.301 ( -4.677 -0.732 -5.017) 6.898 18.301 ( 4.677 -0.732 5.017) 6.898 ======================= Grid point 670 (334/337) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 337 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -8.653 0.000 6.593) 10.878 2.455 ( -3.937 0.000 9.039) 9.859 2.605 ( -11.573 0.000 -4.733) 12.504 2.664 ( 7.713 -0.000 -1.285) 7.820 2.863 ( -8.553 0.000 -3.572) 9.269 3.192 ( 20.683 -0.000 -2.193) 20.799 3.533 ( -16.475 0.000 -1.310) 16.526 4.164 ( -13.587 0.000 1.989) 13.732 4.325 ( 7.348 -0.000 0.515) 7.366 4.414 ( 6.408 -0.000 -3.545) 7.323 4.972 ( -4.186 0.000 7.844) 8.891 5.210 ( 7.720 -0.000 -8.427) 11.429 5.710 ( 8.924 -0.000 -0.097) 8.924 6.091 ( 2.473 -0.000 -2.669) 3.639 7.489 ( -6.968 0.000 6.145) 9.291 7.643 ( -4.907 0.000 -3.378) 5.957 8.625 ( -4.083 0.000 13.016) 13.641 8.704 ( 4.620 -0.000 -3.104) 5.566 8.756 ( -6.664 0.000 8.846) 11.075 9.010 ( 10.751 -0.000 -17.576) 20.603 10.105 ( 21.883 -0.000 11.919) 24.918 10.818 ( 5.929 -0.000 6.876) 9.079 11.623 ( 3.784 -0.000 -4.418) 5.817 11.692 ( -11.866 0.000 3.593) 12.398 12.082 ( 4.539 -0.000 6.039) 7.555 12.449 ( 2.047 -0.000 0.586) 2.129 12.520 ( -0.595 0.000 4.090) 4.133 13.082 ( -19.518 0.000 -3.920) 19.908 15.064 ( 15.459 -0.000 -13.075) 20.246 15.493 ( -9.864 0.000 10.214) 14.199 15.985 ( -9.151 0.000 7.242) 11.670 16.095 ( 6.010 -0.000 -12.422) 13.800 17.050 ( 15.622 -0.000 -7.381) 17.277 17.333 ( -11.216 0.000 9.611) 14.770 18.100 ( 1.358 -0.000 0.082) 1.360 18.617 ( -7.981 0.000 -3.863) 8.866 ======================= Grid point 671 (335/337) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 600 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -5.562 3.632 5.951) 8.918 2.337 ( -8.204 2.677 -5.332) 10.145 2.558 ( -1.325 -0.594 5.377) 5.570 2.655 ( -6.339 -3.338 0.116) 7.165 2.895 ( 11.267 -2.585 -1.777) 11.696 3.265 ( -9.109 -2.186 -7.299) 11.875 3.488 ( 13.702 1.795 4.590) 14.561 3.951 ( -13.481 5.895 -0.334) 14.717 4.426 ( 2.058 -1.876 2.220) 3.561 4.460 ( 3.955 -2.903 -3.128) 5.818 5.025 ( -3.304 -1.726 9.725) 10.415 5.184 ( 3.639 -3.662 -11.115) 12.256 5.865 ( 8.176 -0.475 4.179) 9.194 6.073 ( 0.164 0.225 -3.753) 3.763 7.484 ( -4.535 -3.177 4.901) 7.395 7.555 ( -2.712 -2.610 -3.899) 5.419 8.699 ( -5.847 0.117 10.259) 11.808 8.720 ( 3.176 -0.266 -2.307) 3.934 8.806 ( -4.438 -1.957 11.063) 12.079 8.953 ( 9.949 -0.714 -17.651) 20.275 10.566 ( 25.103 1.294 11.307) 27.562 10.991 ( 6.223 0.525 7.982) 10.135 11.434 ( -12.424 9.467 -4.017) 16.128 11.523 ( -10.975 0.120 -6.682) 12.849 12.244 ( 10.808 6.629 5.429) 13.793 12.508 ( -0.175 -1.757 3.513) 3.932 12.568 ( 0.853 -5.107 -0.730) 5.229 12.806 ( -15.431 -3.841 -2.646) 16.121 15.155 ( 16.256 0.727 -8.611) 18.410 15.429 ( -12.928 -0.563 5.591) 14.097 15.949 ( -6.100 3.491 8.705) 11.188 16.040 ( 4.048 -0.797 -10.608) 11.382 17.169 ( 14.347 -1.209 -8.766) 16.857 17.301 ( -11.408 -2.487 9.567) 15.095 18.161 ( 4.348 -0.618 3.268) 5.475 18.452 ( -8.334 0.289 -4.822) 9.633 ======================= Grid point 672 (336/337) ======================= q-point: (-0.40 -0.60 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 307 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -1.214 4.784 -5.218) 7.182 2.176 ( 1.214 4.784 5.218) 7.182 2.616 ( -2.468 -2.681 -1.403) 3.905 2.616 ( 2.468 -2.681 1.403) 3.905 3.090 ( -9.543 -4.671 -4.084) 11.382 3.090 ( 9.543 -4.671 4.084) 11.382 3.695 ( -13.235 5.768 -2.640) 14.676 3.695 ( 13.235 5.768 2.640) 14.676 4.479 ( 0.730 -1.851 -3.672) 4.176 4.479 ( -0.730 -1.851 3.672) 4.176 5.140 ( 2.849 -6.087 -11.643) 13.444 5.140 ( -2.849 -6.087 11.643) 13.444 6.003 ( -3.146 -0.281 -4.831) 5.772 6.003 ( 3.146 -0.281 4.831) 5.772 7.537 ( 1.368 -5.787 -4.280) 7.327 7.537 ( -1.368 -5.787 4.280) 7.327 8.726 ( 4.818 -0.882 -7.053) 8.587 8.726 ( -4.818 -0.882 7.053) 8.587 8.894 ( 7.482 -1.737 -15.195) 17.026 8.894 ( -7.482 -1.737 15.195) 17.026 10.959 ( -18.016 4.888 -6.084) 19.634 10.959 ( 18.016 4.888 6.084) 19.634 11.280 ( -7.068 5.053 -6.596) 10.908 11.280 ( 7.068 5.053 6.596) 10.908 12.368 ( -8.087 7.675 -5.766) 12.552 12.368 ( 8.087 7.675 5.766) 12.552 12.719 ( -2.368 -10.366 -1.862) 10.795 12.719 ( 2.368 -10.366 1.862) 10.795 15.290 ( -0.027 0.595 -1.595) 1.702 15.290 ( 0.027 0.595 1.595) 1.702 15.969 ( 5.972 1.973 -11.931) 13.488 15.969 ( -5.972 1.973 11.931) 13.488 17.271 ( 11.571 -3.442 -9.590) 15.417 17.271 ( -11.571 -3.442 9.590) 15.417 18.291 ( -6.581 -0.368 -4.863) 8.191 18.291 ( 6.581 -0.368 4.863) 8.191 ======================= Grid point 683 (337/337) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -0.216 0.000 -6.131) 6.135 2.225 ( 0.216 -0.000 6.131) 6.135 2.588 ( -0.700 0.000 -1.867) 1.994 2.588 ( 0.700 -0.000 1.867) 1.994 3.045 ( -12.591 0.000 -1.444) 12.674 3.045 ( 12.592 -0.000 1.444) 12.674 3.753 ( -16.508 0.000 -1.891) 16.616 3.753 ( 16.508 -0.000 1.891) 16.616 4.453 ( -0.308 0.000 -1.090) 1.133 4.453 ( 0.308 -0.000 1.090) 1.133 5.088 ( 3.193 -0.000 -10.812) 11.274 5.088 ( -3.193 0.000 10.812) 11.274 6.000 ( -3.987 0.000 -4.659) 6.132 6.000 ( 3.987 -0.000 4.659) 6.132 7.482 ( 0.841 -0.000 -4.197) 4.280 7.482 ( -0.841 0.000 4.197) 4.280 8.718 ( 5.768 -0.000 -7.548) 9.500 8.718 ( -5.768 0.000 7.548) 9.500 8.880 ( 8.331 -0.000 -16.987) 18.920 8.880 ( -8.331 0.000 16.987) 18.920 11.000 ( -20.191 0.000 -2.963) 20.407 11.000 ( 20.191 -0.000 2.963) 20.407 11.330 ( -5.951 0.000 -1.997) 6.277 11.330 ( 5.951 -0.000 1.997) 6.277 12.510 ( -10.853 0.000 0.989) 10.898 12.510 ( 10.853 -0.000 -0.989) 10.898 12.552 ( -1.003 0.000 -5.941) 6.025 12.552 ( 1.003 -0.000 5.941) 6.025 15.296 ( 15.246 -0.000 -5.741) 16.291 15.296 ( -15.246 0.000 5.741) 16.291 15.987 ( 7.820 -0.000 -12.644) 14.867 15.987 ( -7.820 0.000 12.644) 14.867 17.239 ( 12.944 -0.000 -10.292) 16.537 17.239 ( -12.944 0.000 10.292) 16.537 18.288 ( -7.316 0.000 -4.807) 8.754 18.288 ( 7.316 -0.000 4.807) 8.754 =================== 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 3/43200 10.0 2884.583 3256.185 2272.427 -0.000 -109.328 -0.000 3/43200 20.0 655.028 518.091 499.829 -0.000 -32.586 -0.000 3/43200 30.0 244.562 172.561 174.585 -0.000 -6.835 -0.000 3/43200 40.0 132.226 86.836 90.830 -0.000 -2.507 -0.000 3/43200 50.0 85.547 53.951 57.682 -0.000 -1.297 -0.000 3/43200 60.0 61.215 37.764 41.000 -0.000 -0.853 -0.000 3/43200 70.0 46.682 28.459 31.251 -0.000 -0.663 -0.000 3/43200 80.0 37.217 22.547 24.978 -0.000 -0.569 -0.000 3/43200 90.0 30.675 18.524 20.668 -0.000 -0.514 -0.000 3/43200 100.0 25.949 15.648 17.560 -0.000 -0.476 -0.000 3/43200 110.0 22.413 13.509 15.235 -0.000 -0.446 -0.000 3/43200 120.0 19.690 11.869 13.442 -0.000 -0.421 -0.000 3/43200 130.0 17.541 10.578 12.024 -0.000 -0.399 -0.000 3/43200 140.0 15.811 9.538 10.879 -0.000 -0.379 -0.000 3/43200 150.0 14.391 8.686 9.937 -0.000 -0.362 -0.000 3/43200 160.0 13.208 7.976 9.150 -0.000 -0.346 -0.000 3/43200 170.0 12.209 7.375 8.483 -0.000 -0.332 -0.000 3/43200 180.0 11.354 6.861 7.911 -0.000 -0.319 -0.000 3/43200 190.0 10.616 6.416 7.414 -0.000 -0.307 -0.000 3/43200 200.0 9.971 6.028 6.980 -0.000 -0.297 -0.000 3/43200 210.0 9.403 5.685 6.596 -0.000 -0.287 -0.000 3/43200 220.0 8.900 5.381 6.254 -0.000 -0.278 -0.000 3/43200 230.0 8.450 5.109 5.948 -0.000 -0.269 -0.000 3/43200 240.0 8.045 4.864 5.672 -0.000 -0.261 -0.000 3/43200 250.0 7.679 4.642 5.422 -0.000 -0.254 -0.000 3/43200 260.0 7.347 4.441 5.194 -0.000 -0.247 -0.000 3/43200 270.0 7.043 4.257 4.985 -0.000 -0.241 -0.000 3/43200 280.0 6.765 4.088 4.793 -0.000 -0.234 -0.000 3/43200 290.0 6.508 3.933 4.616 -0.000 -0.228 -0.000 3/43200 300.0 6.271 3.789 4.452 -0.000 -0.223 -0.000 3/43200 310.0 6.052 3.656 4.300 -0.000 -0.217 -0.000 3/43200 320.0 5.848 3.532 4.159 -0.000 -0.212 -0.000 3/43200 330.0 5.658 3.417 4.026 -0.000 -0.207 -0.000 3/43200 340.0 5.480 3.309 3.902 -0.000 -0.203 -0.000 3/43200 350.0 5.313 3.208 3.786 -0.000 -0.198 -0.000 3/43200 360.0 5.157 3.113 3.677 -0.000 -0.194 -0.000 3/43200 370.0 5.010 3.024 3.573 -0.000 -0.190 -0.000 3/43200 380.0 4.871 2.939 3.476 -0.000 -0.186 -0.000 3/43200 390.0 4.740 2.860 3.384 -0.000 -0.182 -0.000 3/43200 400.0 4.616 2.785 3.297 -0.000 -0.178 -0.000 3/43200 410.0 4.498 2.713 3.214 -0.000 -0.175 -0.000 3/43200 420.0 4.387 2.646 3.136 -0.000 -0.172 -0.000 3/43200 430.0 4.281 2.581 3.061 -0.000 -0.168 -0.000 3/43200 440.0 4.180 2.520 2.990 -0.000 -0.165 -0.000 3/43200 450.0 4.084 2.462 2.922 -0.000 -0.162 -0.000 3/43200 460.0 3.992 2.406 2.857 -0.000 -0.159 -0.000 3/43200 470.0 3.904 2.353 2.795 -0.000 -0.156 -0.000 3/43200 480.0 3.820 2.303 2.736 -0.000 -0.153 -0.000 3/43200 490.0 3.740 2.254 2.679 -0.000 -0.151 -0.000 3/43200 500.0 3.663 2.208 2.625 -0.000 -0.148 -0.000 3/43200 510.0 3.590 2.163 2.572 -0.000 -0.146 -0.000 3/43200 520.0 3.519 2.120 2.522 -0.000 -0.143 -0.000 3/43200 530.0 3.451 2.079 2.474 -0.000 -0.141 -0.000 3/43200 540.0 3.385 2.039 2.427 -0.000 -0.139 -0.000 3/43200 550.0 3.323 2.001 2.383 -0.000 -0.136 -0.000 3/43200 560.0 3.262 1.965 2.340 -0.000 -0.134 -0.000 3/43200 570.0 3.204 1.929 2.298 -0.000 -0.132 -0.000 3/43200 580.0 3.147 1.895 2.258 -0.000 -0.130 -0.000 3/43200 590.0 3.093 1.863 2.219 -0.000 -0.128 -0.000 3/43200 600.0 3.041 1.831 2.182 -0.000 -0.126 -0.000 3/43200 610.0 2.990 1.800 2.146 -0.000 -0.124 -0.000 3/43200 620.0 2.941 1.771 2.111 -0.000 -0.123 -0.000 3/43200 630.0 2.893 1.742 2.077 -0.000 -0.121 -0.000 3/43200 640.0 2.847 1.714 2.045 -0.000 -0.119 -0.000 3/43200 650.0 2.803 1.687 2.013 -0.000 -0.118 -0.000 3/43200 660.0 2.760 1.661 1.982 -0.000 -0.116 -0.000 3/43200 670.0 2.718 1.636 1.952 -0.000 -0.114 -0.000 3/43200 680.0 2.678 1.612 1.923 -0.000 -0.113 -0.000 3/43200 690.0 2.638 1.588 1.895 -0.000 -0.111 -0.000 3/43200 700.0 2.600 1.565 1.868 -0.000 -0.110 -0.000 3/43200 710.0 2.563 1.543 1.842 -0.000 -0.108 -0.000 3/43200 720.0 2.527 1.521 1.816 -0.000 -0.107 -0.000 3/43200 730.0 2.492 1.500 1.791 -0.000 -0.106 -0.000 3/43200 740.0 2.458 1.479 1.767 -0.000 -0.104 -0.000 3/43200 750.0 2.425 1.459 1.743 -0.000 -0.103 -0.000 3/43200 760.0 2.393 1.440 1.720 -0.000 -0.102 -0.000 3/43200 770.0 2.361 1.421 1.697 -0.000 -0.101 -0.000 3/43200 780.0 2.331 1.402 1.676 -0.000 -0.099 -0.000 3/43200 790.0 2.301 1.384 1.654 -0.000 -0.098 -0.000 3/43200 800.0 2.272 1.367 1.633 -0.000 -0.097 -0.000 3/43200 810.0 2.244 1.350 1.613 -0.000 -0.096 -0.000 3/43200 820.0 2.216 1.333 1.593 -0.000 -0.095 -0.000 3/43200 830.0 2.189 1.317 1.574 -0.000 -0.094 -0.000 3/43200 840.0 2.163 1.301 1.555 -0.000 -0.093 -0.000 3/43200 850.0 2.137 1.286 1.537 -0.000 -0.092 -0.000 3/43200 860.0 2.112 1.271 1.519 -0.000 -0.091 -0.000 3/43200 870.0 2.088 1.256 1.502 -0.000 -0.090 -0.000 3/43200 880.0 2.064 1.241 1.484 -0.000 -0.089 -0.000 3/43200 890.0 2.041 1.227 1.468 -0.000 -0.088 -0.000 3/43200 900.0 2.018 1.214 1.451 -0.000 -0.087 -0.000 3/43200 910.0 1.995 1.200 1.435 -0.000 -0.086 -0.000 3/43200 920.0 1.974 1.187 1.420 -0.000 -0.085 -0.000 3/43200 930.0 1.952 1.174 1.404 -0.000 -0.084 -0.000 3/43200 940.0 1.931 1.162 1.389 -0.000 -0.083 -0.000 3/43200 950.0 1.911 1.149 1.375 -0.000 -0.083 -0.000 3/43200 960.0 1.891 1.137 1.360 -0.000 -0.082 -0.000 3/43200 970.0 1.871 1.125 1.346 -0.000 -0.081 -0.000 3/43200 980.0 1.852 1.114 1.333 -0.000 -0.080 -0.000 3/43200 990.0 1.833 1.102 1.319 -0.000 -0.079 -0.000 3/43200 1000.0 1.815 1.091 1.306 -0.000 -0.079 -0.000 3/43200 Thermal conductivity related properties were written into "kappa-m101012.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:00:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|