----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:30:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.786121526860295 0.000000000000000 0.000000000000000 b -2.893060763430148 5.010928231645019 0.000000000000000 c 0.000000000000000 0.000000000000000 10.594288069999999 Atomic positions (fractional): *1 Li 0.94044634703728 0.63079268887064 0.93526162476916 6.941 2 Li 0.69034634183336 0.05955365296272 0.93526162476916 6.941 3 Li 0.94044634703728 0.30965365816664 0.56473837523084 6.941 4 Li 0.05955365296272 0.36920731112936 0.06473837523084 6.941 5 Li 0.36920731112936 0.05955365296272 0.56473837523084 6.941 6 Li 0.30965365816664 0.94044634703728 0.06473837523084 6.941 7 Li 0.69034634183336 0.63079268887064 0.56473837523084 6.941 8 Li 0.30965365816664 0.36920731112936 0.43526162476916 6.941 9 Li 0.63079268887064 0.94044634703728 0.43526162476916 6.941 10 Li 0.05955365296272 0.69034634183336 0.43526162476916 6.941 11 Li 0.36920731112936 0.30965365816664 0.93526162476916 6.941 12 Li 0.63079268887064 0.69034634183336 0.06473837523084 6.941 *13 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 14 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 *15 Ce 0.66666666666667 0.33333333333333 0.25000000000000 140.116 16 Ce 0.33333333333333 0.66666666666667 0.75000000000000 140.116 *17 O 0.95749979267841 0.65421990235537 0.11887350727415 15.999 18 O 0.69672010967696 0.04250020732159 0.11887350727415 15.999 19 O 0.30327989032304 0.34578009764463 0.61887350727415 15.999 20 O 0.34578009764463 0.04250020732159 0.38112649272585 15.999 21 O 0.04250020732159 0.34578009764463 0.88112649272585 15.999 22 O 0.69672010967696 0.65421990235537 0.38112649272585 15.999 23 O 0.95749979267841 0.30327989032304 0.38112649272585 15.999 24 O 0.30327989032304 0.95749979267841 0.88112649272585 15.999 25 O 0.04250020732159 0.69672010967696 0.61887350727415 15.999 26 O 0.65421990235537 0.95749979267841 0.61887350727415 15.999 27 O 0.65421990235537 0.69672010967696 0.88112649272585 15.999 28 O 0.34578009764463 0.30327989032304 0.11887350727415 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.786121526860295 0.000000000000000 0.000000000000000 b -2.893060763430148 5.010928231645019 0.000000000000000 c 0.000000000000000 0.000000000000000 10.594288069999999 Atomic positions (fractional): *1 Li 0.94044634703728 0.63079268887064 0.93526162476916 6.941 > 1 2 Li 0.69034634183336 0.05955365296272 0.93526162476916 6.941 > 2 3 Li 0.94044634703728 0.30965365816664 0.56473837523084 6.941 > 3 4 Li 0.05955365296272 0.36920731112936 0.06473837523084 6.941 > 4 5 Li 0.36920731112936 0.05955365296272 0.56473837523084 6.941 > 5 6 Li 0.30965365816664 0.94044634703728 0.06473837523084 6.941 > 6 7 Li 0.69034634183336 0.63079268887064 0.56473837523084 6.941 > 7 8 Li 0.30965365816664 0.36920731112936 0.43526162476916 6.941 > 8 9 Li 0.63079268887064 0.94044634703728 0.43526162476916 6.941 > 9 10 Li 0.05955365296272 0.69034634183336 0.43526162476916 6.941 > 10 11 Li 0.36920731112936 0.30965365816664 0.93526162476916 6.941 > 11 12 Li 0.63079268887064 0.69034634183336 0.06473837523084 6.941 > 12 *13 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 13 14 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 14 *15 Ce 0.66666666666667 0.33333333333333 0.25000000000000 140.116 > 15 16 Ce 0.33333333333333 0.66666666666667 0.75000000000000 140.116 > 16 *17 O 0.95749979267841 0.65421990235537 0.11887350727415 15.999 > 17 18 O 0.69672010967696 0.04250020732159 0.11887350727415 15.999 > 18 19 O 0.30327989032304 0.34578009764463 0.61887350727415 15.999 > 19 20 O 0.34578009764463 0.04250020732159 0.38112649272585 15.999 > 20 21 O 0.04250020732159 0.34578009764463 0.88112649272585 15.999 > 21 22 O 0.69672010967696 0.65421990235537 0.38112649272585 15.999 > 22 23 O 0.95749979267841 0.30327989032304 0.38112649272585 15.999 > 23 24 O 0.30327989032304 0.95749979267841 0.88112649272585 15.999 > 24 25 O 0.04250020732159 0.69672010967696 0.61887350727415 15.999 > 25 26 O 0.65421990235537 0.95749979267841 0.61887350727415 15.999 > 26 27 O 0.65421990235537 0.69672010967696 0.88112649272585 15.999 > 27 28 O 0.34578009764463 0.30327989032304 0.11887350727415 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.572243053720589 0.000000000000000 0.000000000000000 b -5.786121526860296 10.021856463290039 0.000000000000000 c 0.000000000000000 0.000000000000000 10.594288069999999 Atomic positions (fractional): *1 Li 0.47022317351864 0.31539634443532 0.93526162476916 6.941 > 1 2 Li 0.97022317351864 0.31539634443532 0.93526162476916 6.941 > 1 3 Li 0.47022317351864 0.81539634443532 0.93526162476916 6.941 > 1 4 Li 0.97022317351864 0.81539634443532 0.93526162476916 6.941 > 1 5 Li 0.34517317091668 0.02977682648136 0.93526162476916 6.941 > 2 6 Li 0.84517317091668 0.02977682648136 0.93526162476916 6.941 > 2 7 Li 0.34517317091668 0.52977682648136 0.93526162476916 6.941 > 2 8 Li 0.84517317091668 0.52977682648136 0.93526162476916 6.941 > 2 9 Li 0.47022317351864 0.15482682908332 0.56473837523084 6.941 > 3 10 Li 0.97022317351864 0.15482682908332 0.56473837523084 6.941 > 3 11 Li 0.47022317351864 0.65482682908332 0.56473837523084 6.941 > 3 12 Li 0.97022317351864 0.65482682908332 0.56473837523084 6.941 > 3 13 Li 0.02977682648136 0.18460365556468 0.06473837523084 6.941 > 4 14 Li 0.52977682648136 0.18460365556468 0.06473837523084 6.941 > 4 15 Li 0.02977682648136 0.68460365556468 0.06473837523084 6.941 > 4 16 Li 0.52977682648136 0.68460365556468 0.06473837523084 6.941 > 4 17 Li 0.18460365556468 0.02977682648136 0.56473837523084 6.941 > 5 18 Li 0.68460365556468 0.02977682648136 0.56473837523084 6.941 > 5 19 Li 0.18460365556468 0.52977682648136 0.56473837523084 6.941 > 5 20 Li 0.68460365556468 0.52977682648136 0.56473837523084 6.941 > 5 21 Li 0.15482682908332 0.47022317351864 0.06473837523084 6.941 > 6 22 Li 0.65482682908332 0.47022317351864 0.06473837523084 6.941 > 6 23 Li 0.15482682908332 0.97022317351864 0.06473837523084 6.941 > 6 24 Li 0.65482682908332 0.97022317351864 0.06473837523084 6.941 > 6 25 Li 0.34517317091668 0.31539634443532 0.56473837523084 6.941 > 7 26 Li 0.84517317091668 0.31539634443532 0.56473837523084 6.941 > 7 27 Li 0.34517317091668 0.81539634443532 0.56473837523084 6.941 > 7 28 Li 0.84517317091668 0.81539634443532 0.56473837523084 6.941 > 7 29 Li 0.15482682908332 0.18460365556468 0.43526162476916 6.941 > 8 30 Li 0.65482682908332 0.18460365556468 0.43526162476916 6.941 > 8 31 Li 0.15482682908332 0.68460365556468 0.43526162476916 6.941 > 8 32 Li 0.65482682908332 0.68460365556468 0.43526162476916 6.941 > 8 33 Li 0.31539634443532 0.47022317351864 0.43526162476916 6.941 > 9 34 Li 0.81539634443532 0.47022317351864 0.43526162476916 6.941 > 9 35 Li 0.31539634443532 0.97022317351864 0.43526162476916 6.941 > 9 36 Li 0.81539634443532 0.97022317351864 0.43526162476916 6.941 > 9 37 Li 0.02977682648136 0.34517317091668 0.43526162476916 6.941 > 10 38 Li 0.52977682648136 0.34517317091668 0.43526162476916 6.941 > 10 39 Li 0.02977682648136 0.84517317091668 0.43526162476916 6.941 > 10 40 Li 0.52977682648136 0.84517317091668 0.43526162476916 6.941 > 10 41 Li 0.18460365556468 0.15482682908332 0.93526162476916 6.941 > 11 42 Li 0.68460365556468 0.15482682908332 0.93526162476916 6.941 > 11 43 Li 0.18460365556468 0.65482682908332 0.93526162476916 6.941 > 11 44 Li 0.68460365556468 0.65482682908332 0.93526162476916 6.941 > 11 45 Li 0.31539634443532 0.34517317091668 0.06473837523084 6.941 > 12 46 Li 0.81539634443532 0.34517317091668 0.06473837523084 6.941 > 12 47 Li 0.31539634443532 0.84517317091668 0.06473837523084 6.941 > 12 48 Li 0.81539634443532 0.84517317091668 0.06473837523084 6.941 > 12 *49 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 13 50 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 13 51 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 13 52 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 13 53 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 14 54 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 14 55 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 14 56 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 14 *57 Ce 0.33333333333333 0.16666666666667 0.25000000000000 140.116 > 15 58 Ce 0.83333333333333 0.16666666666667 0.25000000000000 140.116 > 15 59 Ce 0.33333333333333 0.66666666666667 0.25000000000000 140.116 > 15 60 Ce 0.83333333333333 0.66666666666667 0.25000000000000 140.116 > 15 61 Ce 0.16666666666667 0.33333333333333 0.75000000000000 140.116 > 16 62 Ce 0.66666666666667 0.33333333333333 0.75000000000000 140.116 > 16 63 Ce 0.16666666666667 0.83333333333333 0.75000000000000 140.116 > 16 64 Ce 0.66666666666667 0.83333333333333 0.75000000000000 140.116 > 16 *65 O 0.47874989633921 0.32710995117768 0.11887350727415 15.999 > 17 66 O 0.97874989633921 0.32710995117768 0.11887350727415 15.999 > 17 67 O 0.47874989633921 0.82710995117768 0.11887350727415 15.999 > 17 68 O 0.97874989633921 0.82710995117768 0.11887350727415 15.999 > 17 69 O 0.34836005483848 0.02125010366079 0.11887350727415 15.999 > 18 70 O 0.84836005483848 0.02125010366079 0.11887350727415 15.999 > 18 71 O 0.34836005483848 0.52125010366079 0.11887350727415 15.999 > 18 72 O 0.84836005483848 0.52125010366079 0.11887350727415 15.999 > 18 73 O 0.15163994516152 0.17289004882232 0.61887350727415 15.999 > 19 74 O 0.65163994516152 0.17289004882232 0.61887350727415 15.999 > 19 75 O 0.15163994516152 0.67289004882232 0.61887350727415 15.999 > 19 76 O 0.65163994516152 0.67289004882232 0.61887350727415 15.999 > 19 77 O 0.17289004882232 0.02125010366079 0.38112649272585 15.999 > 20 78 O 0.67289004882232 0.02125010366079 0.38112649272585 15.999 > 20 79 O 0.17289004882232 0.52125010366079 0.38112649272585 15.999 > 20 80 O 0.67289004882232 0.52125010366079 0.38112649272585 15.999 > 20 81 O 0.02125010366079 0.17289004882232 0.88112649272585 15.999 > 21 82 O 0.52125010366079 0.17289004882232 0.88112649272585 15.999 > 21 83 O 0.02125010366079 0.67289004882232 0.88112649272585 15.999 > 21 84 O 0.52125010366079 0.67289004882232 0.88112649272585 15.999 > 21 85 O 0.34836005483848 0.32710995117768 0.38112649272585 15.999 > 22 86 O 0.84836005483848 0.32710995117768 0.38112649272585 15.999 > 22 87 O 0.34836005483848 0.82710995117768 0.38112649272585 15.999 > 22 88 O 0.84836005483848 0.82710995117768 0.38112649272585 15.999 > 22 89 O 0.47874989633921 0.15163994516152 0.38112649272585 15.999 > 23 90 O 0.97874989633921 0.15163994516152 0.38112649272585 15.999 > 23 91 O 0.47874989633921 0.65163994516152 0.38112649272585 15.999 > 23 92 O 0.97874989633921 0.65163994516152 0.38112649272585 15.999 > 23 93 O 0.15163994516152 0.47874989633921 0.88112649272585 15.999 > 24 94 O 0.65163994516152 0.47874989633921 0.88112649272585 15.999 > 24 95 O 0.15163994516152 0.97874989633921 0.88112649272585 15.999 > 24 96 O 0.65163994516152 0.97874989633921 0.88112649272585 15.999 > 24 97 O 0.02125010366079 0.34836005483848 0.61887350727415 15.999 > 25 98 O 0.52125010366079 0.34836005483848 0.61887350727415 15.999 > 25 99 O 0.02125010366079 0.84836005483848 0.61887350727415 15.999 > 25 100 O 0.52125010366079 0.84836005483848 0.61887350727415 15.999 > 25 101 O 0.32710995117768 0.47874989633921 0.61887350727415 15.999 > 26 102 O 0.82710995117768 0.47874989633921 0.61887350727415 15.999 > 26 103 O 0.32710995117768 0.97874989633921 0.61887350727415 15.999 > 26 104 O 0.82710995117768 0.97874989633921 0.61887350727415 15.999 > 26 105 O 0.32710995117768 0.34836005483848 0.88112649272585 15.999 > 27 106 O 0.82710995117768 0.34836005483848 0.88112649272585 15.999 > 27 107 O 0.32710995117768 0.84836005483848 0.88112649272585 15.999 > 27 108 O 0.82710995117768 0.84836005483848 0.88112649272585 15.999 > 27 109 O 0.17289004882232 0.15163994516152 0.11887350727415 15.999 > 28 110 O 0.67289004882232 0.15163994516152 0.11887350727415 15.999 > 28 111 O 0.17289004882232 0.65163994516152 0.11887350727415 15.999 > 28 112 O 0.67289004882232 0.65163994516152 0.11887350727415 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6596893 0.0000000 0.0000000 0.0000000 3.6596893 0.0000000 0.0000000 0.0000000 3.7238916 -------------------------- Born effective charges -------------------------- 1 Li 1.1407412 -0.0595217 -0.1281435 -0.0266659 0.7560486 -0.1456236 -0.0505634 -0.0568199 1.1411875 2 Li 0.8895421 0.1716957 -0.0620420 0.2045515 1.0072477 0.1837874 -0.0239257 0.0721991 1.1411875 3 Li 0.8149015 0.1614578 0.1901855 0.1286020 1.0818883 0.0381637 0.0744892 0.0153793 1.1411875 4 Li 1.1407412 -0.0595217 -0.1281435 -0.0266659 0.7560486 -0.1456236 -0.0505634 -0.0568199 1.1411875 5 Li 0.8895421 -0.1716957 -0.0620420 -0.2045515 1.0072477 -0.1837874 -0.0239257 -0.0721991 1.1411875 6 Li 0.8895421 0.1716957 -0.0620420 0.2045515 1.0072477 0.1837874 -0.0239257 0.0721991 1.1411875 7 Li 1.1407412 0.0595217 -0.1281435 0.0266659 0.7560486 0.1456236 -0.0505634 0.0568199 1.1411875 8 Li 1.1407412 0.0595217 -0.1281435 0.0266659 0.7560486 0.1456236 -0.0505634 0.0568199 1.1411875 9 Li 0.8895421 -0.1716957 -0.0620420 -0.2045515 1.0072477 -0.1837874 -0.0239257 -0.0721991 1.1411875 10 Li 0.8149015 0.1614578 0.1901855 0.1286020 1.0818883 0.0381637 0.0744892 0.0153793 1.1411875 11 Li 0.8149015 -0.1614578 0.1901855 -0.1286020 1.0818883 -0.0381637 0.0744892 -0.0153793 1.1411875 12 Li 0.8149015 -0.1614578 0.1901855 -0.1286020 1.0818883 -0.0381637 0.0744892 -0.0153793 1.1411875 13 Ca 2.4677172 0.0000000 0.0000000 -0.0000000 2.4677172 -0.0000000 0.0000000 -0.0000000 1.6673568 14 Ca 2.4677172 0.0000000 0.0000000 -0.0000000 2.4677172 -0.0000000 0.0000000 -0.0000000 1.6673568 15 Ce 4.1939258 0.0000000 0.0000000 -0.0000000 4.1939258 -0.0000000 0.0000000 -0.0000000 4.2895454 16 Ce 4.1939258 0.0000000 0.0000000 -0.0000000 4.1939258 -0.0000000 0.0000000 -0.0000000 4.2895454 17 O -1.6543751 -0.2015623 0.3841062 -0.2448170 -2.4629624 0.4551285 0.4141976 0.4543959 -2.1340046 18 O -2.0675276 0.4833507 0.2020997 0.4400960 -2.0498098 -0.5602100 0.1864196 -0.5859036 -2.1340046 19 O -1.6543751 0.2015623 0.3841062 0.2448170 -2.4629624 -0.4551285 0.4141976 -0.4543959 -2.1340046 20 O -2.0675276 -0.4833507 0.2020997 -0.4400960 -2.0498098 0.5602100 0.1864196 0.5859036 -2.1340046 21 O -1.6543751 -0.2015623 0.3841062 -0.2448170 -2.4629624 0.4551285 0.4141976 0.4543959 -2.1340046 22 O -1.6543751 0.2015623 0.3841062 0.2448170 -2.4629624 -0.4551285 0.4141976 -0.4543959 -2.1340046 23 O -2.4541035 0.2169064 -0.5862059 0.2601611 -1.6632340 -0.1050815 -0.6006172 -0.1315077 -2.1340046 24 O -2.0675276 0.4833507 0.2020997 0.4400960 -2.0498098 -0.5602100 0.1864196 -0.5859036 -2.1340046 25 O -2.4541035 0.2169064 -0.5862059 0.2601611 -1.6632340 -0.1050815 -0.6006172 -0.1315077 -2.1340046 26 O -2.0675276 -0.4833507 0.2020997 -0.4400960 -2.0498098 0.5602100 0.1864196 0.5859036 -2.1340046 27 O -2.4541035 -0.2169064 -0.5862059 -0.2601611 -1.6632340 0.1050815 -0.6006172 0.1315077 -2.1340046 28 O -2.4541035 -0.2169064 -0.5862059 -0.2601611 -1.6632340 0.1050815 -0.6006172 0.1315077 -2.1340046 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1250 Number of blocks in projector: 592 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 570 Use submatrix version of eigh solver. (1) Block: 570 / 570 (2) Block: 250 / 570 (2) 240 eigenvectors found. (2) Block: 500 / 570 (2) 240 eigenvectors found. (2) Block: 570 / 570 (2) 66 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 9 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 242 eigenvectors found. (2) Block: 520 / 520 (2) 262 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 512 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 160 Use standard eigh solver. Tree of FC basis block matrices: - (1250, 1228), data: False |-- (160, 156), data: True |-- (520, 512), data: False |-- (520, 512), data: False |-- (520, 8), data: (520, 16) @ (16, 8) |-- (270, 262), data: True |-- (250, 242), data: True |-- (570, 560), data: False |-- (570, 560), data: False |-- (570, 14), data: (570, 24) @ (24, 14) |-- (70, 66), data: True |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.014 Solver_block: 100 / 320 - Time: 1.507 Solver_block: 200 / 320 - Time: 1.550 Solver_block: 300 / 320 - Time: 1.545 Solver_block: 320 / 320 - Time: 0.375 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.012 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1250 Number of blocks in projector: 592 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 570 Use submatrix version of eigh solver. (1) Block: 570 / 570 (2) Block: 250 / 570 (2) 240 eigenvectors found. (2) Block: 500 / 570 (2) 240 eigenvectors found. (2) Block: 570 / 570 (2) 66 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 9 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 242 eigenvectors found. (2) Block: 520 / 520 (2) 262 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 512 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 160 Use standard eigh solver. Tree of FC basis block matrices: - (1250, 1228), data: False |-- (160, 156), data: True |-- (520, 512), data: False |-- (520, 512), data: False |-- (520, 8), data: (520, 16) @ (16, 8) |-- (270, 262), data: True |-- (250, 242), data: True |-- (570, 560), data: False |-- (570, 560), data: False |-- (570, 14), data: (570, 24) @ (24, 14) |-- (70, 66), data: True |-- (250, 240), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:30:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:30:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.786121526860295 0.000000000000000 0.000000000000000 b -2.893060763430148 5.010928231645019 0.000000000000000 c 0.000000000000000 0.000000000000000 10.594288069999999 Atomic positions (fractional): 1 Li 0.94044634703728 0.63079268887064 0.93526162476916 6.941 2 Li 0.69034634183336 0.05955365296272 0.93526162476916 6.941 3 Li 0.94044634703728 0.30965365816664 0.56473837523084 6.941 4 Li 0.05955365296272 0.36920731112936 0.06473837523084 6.941 5 Li 0.36920731112936 0.05955365296272 0.56473837523084 6.941 6 Li 0.30965365816664 0.94044634703728 0.06473837523084 6.941 7 Li 0.69034634183336 0.63079268887064 0.56473837523084 6.941 8 Li 0.30965365816664 0.36920731112936 0.43526162476916 6.941 9 Li 0.63079268887064 0.94044634703728 0.43526162476916 6.941 10 Li 0.05955365296272 0.69034634183336 0.43526162476916 6.941 11 Li 0.36920731112936 0.30965365816664 0.93526162476916 6.941 12 Li 0.63079268887064 0.69034634183336 0.06473837523084 6.941 13 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 14 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 15 Ce 0.66666666666667 0.33333333333333 0.25000000000000 140.116 16 Ce 0.33333333333333 0.66666666666667 0.75000000000000 140.116 17 O 0.95749979267841 0.65421990235537 0.11887350727415 15.999 18 O 0.69672010967696 0.04250020732159 0.11887350727415 15.999 19 O 0.30327989032304 0.34578009764463 0.61887350727415 15.999 20 O 0.34578009764463 0.04250020732159 0.38112649272585 15.999 21 O 0.04250020732159 0.34578009764463 0.88112649272585 15.999 22 O 0.69672010967696 0.65421990235537 0.38112649272585 15.999 23 O 0.95749979267841 0.30327989032304 0.38112649272585 15.999 24 O 0.30327989032304 0.95749979267841 0.88112649272585 15.999 25 O 0.04250020732159 0.69672010967696 0.61887350727415 15.999 26 O 0.65421990235537 0.95749979267841 0.61887350727415 15.999 27 O 0.65421990235537 0.69672010967696 0.88112649272585 15.999 28 O 0.34578009764463 0.30327989032304 0.11887350727415 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.572243053720589 0.000000000000000 0.000000000000000 b -5.786121526860296 10.021856463290039 0.000000000000000 c 0.000000000000000 0.000000000000000 10.594288069999999 Atomic positions (fractional): 1 Li 0.47022317351864 0.31539634443532 0.93526162476916 6.941 > 1 2 Li 0.97022317351864 0.31539634443532 0.93526162476916 6.941 > 1 3 Li 0.47022317351864 0.81539634443532 0.93526162476916 6.941 > 1 4 Li 0.97022317351864 0.81539634443532 0.93526162476916 6.941 > 1 5 Li 0.34517317091668 0.02977682648136 0.93526162476916 6.941 > 5 6 Li 0.84517317091668 0.02977682648136 0.93526162476916 6.941 > 5 7 Li 0.34517317091668 0.52977682648136 0.93526162476916 6.941 > 5 8 Li 0.84517317091668 0.52977682648136 0.93526162476916 6.941 > 5 9 Li 0.47022317351864 0.15482682908332 0.56473837523084 6.941 > 9 10 Li 0.97022317351864 0.15482682908332 0.56473837523084 6.941 > 9 11 Li 0.47022317351864 0.65482682908332 0.56473837523084 6.941 > 9 12 Li 0.97022317351864 0.65482682908332 0.56473837523084 6.941 > 9 13 Li 0.02977682648136 0.18460365556468 0.06473837523084 6.941 > 13 14 Li 0.52977682648136 0.18460365556468 0.06473837523084 6.941 > 13 15 Li 0.02977682648136 0.68460365556468 0.06473837523084 6.941 > 13 16 Li 0.52977682648136 0.68460365556468 0.06473837523084 6.941 > 13 17 Li 0.18460365556468 0.02977682648136 0.56473837523084 6.941 > 17 18 Li 0.68460365556468 0.02977682648136 0.56473837523084 6.941 > 17 19 Li 0.18460365556468 0.52977682648136 0.56473837523084 6.941 > 17 20 Li 0.68460365556468 0.52977682648136 0.56473837523084 6.941 > 17 21 Li 0.15482682908332 0.47022317351864 0.06473837523084 6.941 > 21 22 Li 0.65482682908332 0.47022317351864 0.06473837523084 6.941 > 21 23 Li 0.15482682908332 0.97022317351864 0.06473837523084 6.941 > 21 24 Li 0.65482682908332 0.97022317351864 0.06473837523084 6.941 > 21 25 Li 0.34517317091668 0.31539634443532 0.56473837523084 6.941 > 25 26 Li 0.84517317091668 0.31539634443532 0.56473837523084 6.941 > 25 27 Li 0.34517317091668 0.81539634443532 0.56473837523084 6.941 > 25 28 Li 0.84517317091668 0.81539634443532 0.56473837523084 6.941 > 25 29 Li 0.15482682908332 0.18460365556468 0.43526162476916 6.941 > 29 30 Li 0.65482682908332 0.18460365556468 0.43526162476916 6.941 > 29 31 Li 0.15482682908332 0.68460365556468 0.43526162476916 6.941 > 29 32 Li 0.65482682908332 0.68460365556468 0.43526162476916 6.941 > 29 33 Li 0.31539634443532 0.47022317351864 0.43526162476916 6.941 > 33 34 Li 0.81539634443532 0.47022317351864 0.43526162476916 6.941 > 33 35 Li 0.31539634443532 0.97022317351864 0.43526162476916 6.941 > 33 36 Li 0.81539634443532 0.97022317351864 0.43526162476916 6.941 > 33 37 Li 0.02977682648136 0.34517317091668 0.43526162476916 6.941 > 37 38 Li 0.52977682648136 0.34517317091668 0.43526162476916 6.941 > 37 39 Li 0.02977682648136 0.84517317091668 0.43526162476916 6.941 > 37 40 Li 0.52977682648136 0.84517317091668 0.43526162476916 6.941 > 37 41 Li 0.18460365556468 0.15482682908332 0.93526162476916 6.941 > 41 42 Li 0.68460365556468 0.15482682908332 0.93526162476916 6.941 > 41 43 Li 0.18460365556468 0.65482682908332 0.93526162476916 6.941 > 41 44 Li 0.68460365556468 0.65482682908332 0.93526162476916 6.941 > 41 45 Li 0.31539634443532 0.34517317091668 0.06473837523084 6.941 > 45 46 Li 0.81539634443532 0.34517317091668 0.06473837523084 6.941 > 45 47 Li 0.31539634443532 0.84517317091668 0.06473837523084 6.941 > 45 48 Li 0.81539634443532 0.84517317091668 0.06473837523084 6.941 > 45 49 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 49 50 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 49 51 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 49 52 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 49 53 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 53 54 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 53 55 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 53 56 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 53 57 Ce 0.33333333333333 0.16666666666667 0.25000000000000 140.116 > 57 58 Ce 0.83333333333333 0.16666666666667 0.25000000000000 140.116 > 57 59 Ce 0.33333333333333 0.66666666666667 0.25000000000000 140.116 > 57 60 Ce 0.83333333333333 0.66666666666667 0.25000000000000 140.116 > 57 61 Ce 0.16666666666667 0.33333333333333 0.75000000000000 140.116 > 61 62 Ce 0.66666666666667 0.33333333333333 0.75000000000000 140.116 > 61 63 Ce 0.16666666666667 0.83333333333333 0.75000000000000 140.116 > 61 64 Ce 0.66666666666667 0.83333333333333 0.75000000000000 140.116 > 61 65 O 0.47874989633921 0.32710995117768 0.11887350727415 15.999 > 65 66 O 0.97874989633921 0.32710995117768 0.11887350727415 15.999 > 65 67 O 0.47874989633921 0.82710995117768 0.11887350727415 15.999 > 65 68 O 0.97874989633921 0.82710995117768 0.11887350727415 15.999 > 65 69 O 0.34836005483848 0.02125010366079 0.11887350727415 15.999 > 69 70 O 0.84836005483848 0.02125010366079 0.11887350727415 15.999 > 69 71 O 0.34836005483848 0.52125010366079 0.11887350727415 15.999 > 69 72 O 0.84836005483848 0.52125010366079 0.11887350727415 15.999 > 69 73 O 0.15163994516152 0.17289004882232 0.61887350727415 15.999 > 73 74 O 0.65163994516152 0.17289004882232 0.61887350727415 15.999 > 73 75 O 0.15163994516152 0.67289004882232 0.61887350727415 15.999 > 73 76 O 0.65163994516152 0.67289004882232 0.61887350727415 15.999 > 73 77 O 0.17289004882232 0.02125010366079 0.38112649272585 15.999 > 77 78 O 0.67289004882232 0.02125010366079 0.38112649272585 15.999 > 77 79 O 0.17289004882232 0.52125010366079 0.38112649272585 15.999 > 77 80 O 0.67289004882232 0.52125010366079 0.38112649272585 15.999 > 77 81 O 0.02125010366079 0.17289004882232 0.88112649272585 15.999 > 81 82 O 0.52125010366079 0.17289004882232 0.88112649272585 15.999 > 81 83 O 0.02125010366079 0.67289004882232 0.88112649272585 15.999 > 81 84 O 0.52125010366079 0.67289004882232 0.88112649272585 15.999 > 81 85 O 0.34836005483848 0.32710995117768 0.38112649272585 15.999 > 85 86 O 0.84836005483848 0.32710995117768 0.38112649272585 15.999 > 85 87 O 0.34836005483848 0.82710995117768 0.38112649272585 15.999 > 85 88 O 0.84836005483848 0.82710995117768 0.38112649272585 15.999 > 85 89 O 0.47874989633921 0.15163994516152 0.38112649272585 15.999 > 89 90 O 0.97874989633921 0.15163994516152 0.38112649272585 15.999 > 89 91 O 0.47874989633921 0.65163994516152 0.38112649272585 15.999 > 89 92 O 0.97874989633921 0.65163994516152 0.38112649272585 15.999 > 89 93 O 0.15163994516152 0.47874989633921 0.88112649272585 15.999 > 93 94 O 0.65163994516152 0.47874989633921 0.88112649272585 15.999 > 93 95 O 0.15163994516152 0.97874989633921 0.88112649272585 15.999 > 93 96 O 0.65163994516152 0.97874989633921 0.88112649272585 15.999 > 93 97 O 0.02125010366079 0.34836005483848 0.61887350727415 15.999 > 97 98 O 0.52125010366079 0.34836005483848 0.61887350727415 15.999 > 97 99 O 0.02125010366079 0.84836005483848 0.61887350727415 15.999 > 97 100 O 0.52125010366079 0.84836005483848 0.61887350727415 15.999 > 97 101 O 0.32710995117768 0.47874989633921 0.61887350727415 15.999 > 101 102 O 0.82710995117768 0.47874989633921 0.61887350727415 15.999 > 101 103 O 0.32710995117768 0.97874989633921 0.61887350727415 15.999 > 101 104 O 0.82710995117768 0.97874989633921 0.61887350727415 15.999 > 101 105 O 0.32710995117768 0.34836005483848 0.88112649272585 15.999 > 105 106 O 0.82710995117768 0.34836005483848 0.88112649272585 15.999 > 105 107 O 0.32710995117768 0.84836005483848 0.88112649272585 15.999 > 105 108 O 0.82710995117768 0.84836005483848 0.88112649272585 15.999 > 105 109 O 0.17289004882232 0.15163994516152 0.11887350727415 15.999 > 109 110 O 0.67289004882232 0.15163994516152 0.11887350727415 15.999 > 109 111 O 0.17289004882232 0.65163994516152 0.11887350727415 15.999 > 109 112 O 0.67289004882232 0.65163994516152 0.11887350727415 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6596893 0.0000000 0.0000000 0.0000000 3.6596893 0.0000000 0.0000000 0.0000000 3.7238916 -------------------------- Born effective charges -------------------------- 1 Li 1.1407412 -0.0595217 -0.1281435 -0.0266659 0.7560486 -0.1456236 -0.0505634 -0.0568199 1.1411875 2 Li 0.8895421 0.1716957 -0.0620420 0.2045515 1.0072477 0.1837874 -0.0239257 0.0721991 1.1411875 3 Li 0.8149015 0.1614578 0.1901855 0.1286020 1.0818883 0.0381637 0.0744892 0.0153793 1.1411875 4 Li 1.1407412 -0.0595217 -0.1281435 -0.0266659 0.7560486 -0.1456236 -0.0505634 -0.0568199 1.1411875 5 Li 0.8895421 -0.1716957 -0.0620420 -0.2045515 1.0072477 -0.1837874 -0.0239257 -0.0721991 1.1411875 6 Li 0.8895421 0.1716957 -0.0620420 0.2045515 1.0072477 0.1837874 -0.0239257 0.0721991 1.1411875 7 Li 1.1407412 0.0595217 -0.1281435 0.0266659 0.7560486 0.1456236 -0.0505634 0.0568199 1.1411875 8 Li 1.1407412 0.0595217 -0.1281435 0.0266659 0.7560486 0.1456236 -0.0505634 0.0568199 1.1411875 9 Li 0.8895421 -0.1716957 -0.0620420 -0.2045515 1.0072477 -0.1837874 -0.0239257 -0.0721991 1.1411875 10 Li 0.8149015 0.1614578 0.1901855 0.1286020 1.0818883 0.0381637 0.0744892 0.0153793 1.1411875 11 Li 0.8149015 -0.1614578 0.1901855 -0.1286020 1.0818883 -0.0381637 0.0744892 -0.0153793 1.1411875 12 Li 0.8149015 -0.1614578 0.1901855 -0.1286020 1.0818883 -0.0381637 0.0744892 -0.0153793 1.1411875 13 Ca 2.4677172 0.0000000 0.0000000 -0.0000000 2.4677172 -0.0000000 0.0000000 -0.0000000 1.6673568 14 Ca 2.4677172 0.0000000 0.0000000 -0.0000000 2.4677172 -0.0000000 0.0000000 -0.0000000 1.6673568 15 Ce 4.1939258 0.0000000 0.0000000 -0.0000000 4.1939258 -0.0000000 0.0000000 -0.0000000 4.2895454 16 Ce 4.1939258 0.0000000 0.0000000 -0.0000000 4.1939258 -0.0000000 0.0000000 -0.0000000 4.2895454 17 O -1.6543751 -0.2015623 0.3841062 -0.2448170 -2.4629624 0.4551285 0.4141976 0.4543959 -2.1340046 18 O -2.0675276 0.4833507 0.2020997 0.4400960 -2.0498098 -0.5602100 0.1864196 -0.5859036 -2.1340046 19 O -1.6543751 0.2015623 0.3841062 0.2448170 -2.4629624 -0.4551285 0.4141976 -0.4543959 -2.1340046 20 O -2.0675276 -0.4833507 0.2020997 -0.4400960 -2.0498098 0.5602100 0.1864196 0.5859036 -2.1340046 21 O -1.6543751 -0.2015623 0.3841062 -0.2448170 -2.4629624 0.4551285 0.4141976 0.4543959 -2.1340046 22 O -1.6543751 0.2015623 0.3841062 0.2448170 -2.4629624 -0.4551285 0.4141976 -0.4543959 -2.1340046 23 O -2.4541035 0.2169064 -0.5862059 0.2601611 -1.6632340 -0.1050815 -0.6006172 -0.1315077 -2.1340046 24 O -2.0675276 0.4833507 0.2020997 0.4400960 -2.0498098 -0.5602100 0.1864196 -0.5859036 -2.1340046 25 O -2.4541035 0.2169064 -0.5862059 0.2601611 -1.6632340 -0.1050815 -0.6006172 -0.1315077 -2.1340046 26 O -2.0675276 -0.4833507 0.2020997 -0.4400960 -2.0498098 0.5602100 0.1864196 0.5859036 -2.1340046 27 O -2.4541035 -0.2169064 -0.5862059 -0.2601611 -1.6632340 0.1050815 -0.6006172 0.1315077 -2.1340046 28 O -2.4541035 -0.2169064 -0.5862059 -0.2601611 -1.6632340 0.1050815 -0.6006172 0.1315077 -2.1340046 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xyx) -0.00000003 (xyx) -0.00000003 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (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 12:30:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:30:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.786121526860295 0.000000000000000 0.000000000000000 b -2.893060763430148 5.010928231645019 0.000000000000000 c 0.000000000000000 0.000000000000000 10.594288069999999 Atomic positions (fractional): 1 Li 0.94044634703728 0.63079268887064 0.93526162476916 6.941 2 Li 0.69034634183336 0.05955365296272 0.93526162476916 6.941 3 Li 0.94044634703728 0.30965365816664 0.56473837523084 6.941 4 Li 0.05955365296272 0.36920731112936 0.06473837523084 6.941 5 Li 0.36920731112936 0.05955365296272 0.56473837523084 6.941 6 Li 0.30965365816664 0.94044634703728 0.06473837523084 6.941 7 Li 0.69034634183336 0.63079268887064 0.56473837523084 6.941 8 Li 0.30965365816664 0.36920731112936 0.43526162476916 6.941 9 Li 0.63079268887064 0.94044634703728 0.43526162476916 6.941 10 Li 0.05955365296272 0.69034634183336 0.43526162476916 6.941 11 Li 0.36920731112936 0.30965365816664 0.93526162476916 6.941 12 Li 0.63079268887064 0.69034634183336 0.06473837523084 6.941 13 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 14 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 15 Ce 0.66666666666667 0.33333333333333 0.25000000000000 140.116 16 Ce 0.33333333333333 0.66666666666667 0.75000000000000 140.116 17 O 0.95749979267841 0.65421990235537 0.11887350727415 15.999 18 O 0.69672010967696 0.04250020732159 0.11887350727415 15.999 19 O 0.30327989032304 0.34578009764463 0.61887350727415 15.999 20 O 0.34578009764463 0.04250020732159 0.38112649272585 15.999 21 O 0.04250020732159 0.34578009764463 0.88112649272585 15.999 22 O 0.69672010967696 0.65421990235537 0.38112649272585 15.999 23 O 0.95749979267841 0.30327989032304 0.38112649272585 15.999 24 O 0.30327989032304 0.95749979267841 0.88112649272585 15.999 25 O 0.04250020732159 0.69672010967696 0.61887350727415 15.999 26 O 0.65421990235537 0.95749979267841 0.61887350727415 15.999 27 O 0.65421990235537 0.69672010967696 0.88112649272585 15.999 28 O 0.34578009764463 0.30327989032304 0.11887350727415 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.572243053720589 0.000000000000000 0.000000000000000 b -5.786121526860296 10.021856463290039 0.000000000000000 c 0.000000000000000 0.000000000000000 10.594288069999999 Atomic positions (fractional): 1 Li 0.47022317351864 0.31539634443532 0.93526162476916 6.941 > 1 2 Li 0.97022317351864 0.31539634443532 0.93526162476916 6.941 > 1 3 Li 0.47022317351864 0.81539634443532 0.93526162476916 6.941 > 1 4 Li 0.97022317351864 0.81539634443532 0.93526162476916 6.941 > 1 5 Li 0.34517317091668 0.02977682648136 0.93526162476916 6.941 > 5 6 Li 0.84517317091668 0.02977682648136 0.93526162476916 6.941 > 5 7 Li 0.34517317091668 0.52977682648136 0.93526162476916 6.941 > 5 8 Li 0.84517317091668 0.52977682648136 0.93526162476916 6.941 > 5 9 Li 0.47022317351864 0.15482682908332 0.56473837523084 6.941 > 9 10 Li 0.97022317351864 0.15482682908332 0.56473837523084 6.941 > 9 11 Li 0.47022317351864 0.65482682908332 0.56473837523084 6.941 > 9 12 Li 0.97022317351864 0.65482682908332 0.56473837523084 6.941 > 9 13 Li 0.02977682648136 0.18460365556468 0.06473837523084 6.941 > 13 14 Li 0.52977682648136 0.18460365556468 0.06473837523084 6.941 > 13 15 Li 0.02977682648136 0.68460365556468 0.06473837523084 6.941 > 13 16 Li 0.52977682648136 0.68460365556468 0.06473837523084 6.941 > 13 17 Li 0.18460365556468 0.02977682648136 0.56473837523084 6.941 > 17 18 Li 0.68460365556468 0.02977682648136 0.56473837523084 6.941 > 17 19 Li 0.18460365556468 0.52977682648136 0.56473837523084 6.941 > 17 20 Li 0.68460365556468 0.52977682648136 0.56473837523084 6.941 > 17 21 Li 0.15482682908332 0.47022317351864 0.06473837523084 6.941 > 21 22 Li 0.65482682908332 0.47022317351864 0.06473837523084 6.941 > 21 23 Li 0.15482682908332 0.97022317351864 0.06473837523084 6.941 > 21 24 Li 0.65482682908332 0.97022317351864 0.06473837523084 6.941 > 21 25 Li 0.34517317091668 0.31539634443532 0.56473837523084 6.941 > 25 26 Li 0.84517317091668 0.31539634443532 0.56473837523084 6.941 > 25 27 Li 0.34517317091668 0.81539634443532 0.56473837523084 6.941 > 25 28 Li 0.84517317091668 0.81539634443532 0.56473837523084 6.941 > 25 29 Li 0.15482682908332 0.18460365556468 0.43526162476916 6.941 > 29 30 Li 0.65482682908332 0.18460365556468 0.43526162476916 6.941 > 29 31 Li 0.15482682908332 0.68460365556468 0.43526162476916 6.941 > 29 32 Li 0.65482682908332 0.68460365556468 0.43526162476916 6.941 > 29 33 Li 0.31539634443532 0.47022317351864 0.43526162476916 6.941 > 33 34 Li 0.81539634443532 0.47022317351864 0.43526162476916 6.941 > 33 35 Li 0.31539634443532 0.97022317351864 0.43526162476916 6.941 > 33 36 Li 0.81539634443532 0.97022317351864 0.43526162476916 6.941 > 33 37 Li 0.02977682648136 0.34517317091668 0.43526162476916 6.941 > 37 38 Li 0.52977682648136 0.34517317091668 0.43526162476916 6.941 > 37 39 Li 0.02977682648136 0.84517317091668 0.43526162476916 6.941 > 37 40 Li 0.52977682648136 0.84517317091668 0.43526162476916 6.941 > 37 41 Li 0.18460365556468 0.15482682908332 0.93526162476916 6.941 > 41 42 Li 0.68460365556468 0.15482682908332 0.93526162476916 6.941 > 41 43 Li 0.18460365556468 0.65482682908332 0.93526162476916 6.941 > 41 44 Li 0.68460365556468 0.65482682908332 0.93526162476916 6.941 > 41 45 Li 0.31539634443532 0.34517317091668 0.06473837523084 6.941 > 45 46 Li 0.81539634443532 0.34517317091668 0.06473837523084 6.941 > 45 47 Li 0.31539634443532 0.84517317091668 0.06473837523084 6.941 > 45 48 Li 0.81539634443532 0.84517317091668 0.06473837523084 6.941 > 45 49 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 49 50 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 49 51 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 49 52 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 49 53 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 53 54 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 53 55 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 53 56 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 53 57 Ce 0.33333333333333 0.16666666666667 0.25000000000000 140.116 > 57 58 Ce 0.83333333333333 0.16666666666667 0.25000000000000 140.116 > 57 59 Ce 0.33333333333333 0.66666666666667 0.25000000000000 140.116 > 57 60 Ce 0.83333333333333 0.66666666666667 0.25000000000000 140.116 > 57 61 Ce 0.16666666666667 0.33333333333333 0.75000000000000 140.116 > 61 62 Ce 0.66666666666667 0.33333333333333 0.75000000000000 140.116 > 61 63 Ce 0.16666666666667 0.83333333333333 0.75000000000000 140.116 > 61 64 Ce 0.66666666666667 0.83333333333333 0.75000000000000 140.116 > 61 65 O 0.47874989633921 0.32710995117768 0.11887350727415 15.999 > 65 66 O 0.97874989633921 0.32710995117768 0.11887350727415 15.999 > 65 67 O 0.47874989633921 0.82710995117768 0.11887350727415 15.999 > 65 68 O 0.97874989633921 0.82710995117768 0.11887350727415 15.999 > 65 69 O 0.34836005483848 0.02125010366079 0.11887350727415 15.999 > 69 70 O 0.84836005483848 0.02125010366079 0.11887350727415 15.999 > 69 71 O 0.34836005483848 0.52125010366079 0.11887350727415 15.999 > 69 72 O 0.84836005483848 0.52125010366079 0.11887350727415 15.999 > 69 73 O 0.15163994516152 0.17289004882232 0.61887350727415 15.999 > 73 74 O 0.65163994516152 0.17289004882232 0.61887350727415 15.999 > 73 75 O 0.15163994516152 0.67289004882232 0.61887350727415 15.999 > 73 76 O 0.65163994516152 0.67289004882232 0.61887350727415 15.999 > 73 77 O 0.17289004882232 0.02125010366079 0.38112649272585 15.999 > 77 78 O 0.67289004882232 0.02125010366079 0.38112649272585 15.999 > 77 79 O 0.17289004882232 0.52125010366079 0.38112649272585 15.999 > 77 80 O 0.67289004882232 0.52125010366079 0.38112649272585 15.999 > 77 81 O 0.02125010366079 0.17289004882232 0.88112649272585 15.999 > 81 82 O 0.52125010366079 0.17289004882232 0.88112649272585 15.999 > 81 83 O 0.02125010366079 0.67289004882232 0.88112649272585 15.999 > 81 84 O 0.52125010366079 0.67289004882232 0.88112649272585 15.999 > 81 85 O 0.34836005483848 0.32710995117768 0.38112649272585 15.999 > 85 86 O 0.84836005483848 0.32710995117768 0.38112649272585 15.999 > 85 87 O 0.34836005483848 0.82710995117768 0.38112649272585 15.999 > 85 88 O 0.84836005483848 0.82710995117768 0.38112649272585 15.999 > 85 89 O 0.47874989633921 0.15163994516152 0.38112649272585 15.999 > 89 90 O 0.97874989633921 0.15163994516152 0.38112649272585 15.999 > 89 91 O 0.47874989633921 0.65163994516152 0.38112649272585 15.999 > 89 92 O 0.97874989633921 0.65163994516152 0.38112649272585 15.999 > 89 93 O 0.15163994516152 0.47874989633921 0.88112649272585 15.999 > 93 94 O 0.65163994516152 0.47874989633921 0.88112649272585 15.999 > 93 95 O 0.15163994516152 0.97874989633921 0.88112649272585 15.999 > 93 96 O 0.65163994516152 0.97874989633921 0.88112649272585 15.999 > 93 97 O 0.02125010366079 0.34836005483848 0.61887350727415 15.999 > 97 98 O 0.52125010366079 0.34836005483848 0.61887350727415 15.999 > 97 99 O 0.02125010366079 0.84836005483848 0.61887350727415 15.999 > 97 100 O 0.52125010366079 0.84836005483848 0.61887350727415 15.999 > 97 101 O 0.32710995117768 0.47874989633921 0.61887350727415 15.999 > 101 102 O 0.82710995117768 0.47874989633921 0.61887350727415 15.999 > 101 103 O 0.32710995117768 0.97874989633921 0.61887350727415 15.999 > 101 104 O 0.82710995117768 0.97874989633921 0.61887350727415 15.999 > 101 105 O 0.32710995117768 0.34836005483848 0.88112649272585 15.999 > 105 106 O 0.82710995117768 0.34836005483848 0.88112649272585 15.999 > 105 107 O 0.32710995117768 0.84836005483848 0.88112649272585 15.999 > 105 108 O 0.82710995117768 0.84836005483848 0.88112649272585 15.999 > 105 109 O 0.17289004882232 0.15163994516152 0.11887350727415 15.999 > 109 110 O 0.67289004882232 0.15163994516152 0.11887350727415 15.999 > 109 111 O 0.17289004882232 0.65163994516152 0.11887350727415 15.999 > 109 112 O 0.67289004882232 0.65163994516152 0.11887350727415 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6596893 0.0000000 0.0000000 0.0000000 3.6596893 0.0000000 0.0000000 0.0000000 3.7238916 -------------------------- Born effective charges -------------------------- 1 Li 1.1407412 -0.0595217 -0.1281435 -0.0266659 0.7560486 -0.1456236 -0.0505634 -0.0568199 1.1411875 2 Li 0.8895421 0.1716957 -0.0620420 0.2045515 1.0072477 0.1837874 -0.0239257 0.0721991 1.1411875 3 Li 0.8149015 0.1614578 0.1901855 0.1286020 1.0818883 0.0381637 0.0744892 0.0153793 1.1411875 4 Li 1.1407412 -0.0595217 -0.1281435 -0.0266659 0.7560486 -0.1456236 -0.0505634 -0.0568199 1.1411875 5 Li 0.8895421 -0.1716957 -0.0620420 -0.2045515 1.0072477 -0.1837874 -0.0239257 -0.0721991 1.1411875 6 Li 0.8895421 0.1716957 -0.0620420 0.2045515 1.0072477 0.1837874 -0.0239257 0.0721991 1.1411875 7 Li 1.1407412 0.0595217 -0.1281435 0.0266659 0.7560486 0.1456236 -0.0505634 0.0568199 1.1411875 8 Li 1.1407412 0.0595217 -0.1281435 0.0266659 0.7560486 0.1456236 -0.0505634 0.0568199 1.1411875 9 Li 0.8895421 -0.1716957 -0.0620420 -0.2045515 1.0072477 -0.1837874 -0.0239257 -0.0721991 1.1411875 10 Li 0.8149015 0.1614578 0.1901855 0.1286020 1.0818883 0.0381637 0.0744892 0.0153793 1.1411875 11 Li 0.8149015 -0.1614578 0.1901855 -0.1286020 1.0818883 -0.0381637 0.0744892 -0.0153793 1.1411875 12 Li 0.8149015 -0.1614578 0.1901855 -0.1286020 1.0818883 -0.0381637 0.0744892 -0.0153793 1.1411875 13 Ca 2.4677172 0.0000000 0.0000000 -0.0000000 2.4677172 -0.0000000 0.0000000 -0.0000000 1.6673568 14 Ca 2.4677172 0.0000000 0.0000000 -0.0000000 2.4677172 -0.0000000 0.0000000 -0.0000000 1.6673568 15 Ce 4.1939258 0.0000000 0.0000000 -0.0000000 4.1939258 -0.0000000 0.0000000 -0.0000000 4.2895454 16 Ce 4.1939258 0.0000000 0.0000000 -0.0000000 4.1939258 -0.0000000 0.0000000 -0.0000000 4.2895454 17 O -1.6543751 -0.2015623 0.3841062 -0.2448170 -2.4629624 0.4551285 0.4141976 0.4543959 -2.1340046 18 O -2.0675276 0.4833507 0.2020997 0.4400960 -2.0498098 -0.5602100 0.1864196 -0.5859036 -2.1340046 19 O -1.6543751 0.2015623 0.3841062 0.2448170 -2.4629624 -0.4551285 0.4141976 -0.4543959 -2.1340046 20 O -2.0675276 -0.4833507 0.2020997 -0.4400960 -2.0498098 0.5602100 0.1864196 0.5859036 -2.1340046 21 O -1.6543751 -0.2015623 0.3841062 -0.2448170 -2.4629624 0.4551285 0.4141976 0.4543959 -2.1340046 22 O -1.6543751 0.2015623 0.3841062 0.2448170 -2.4629624 -0.4551285 0.4141976 -0.4543959 -2.1340046 23 O -2.4541035 0.2169064 -0.5862059 0.2601611 -1.6632340 -0.1050815 -0.6006172 -0.1315077 -2.1340046 24 O -2.0675276 0.4833507 0.2020997 0.4400960 -2.0498098 -0.5602100 0.1864196 -0.5859036 -2.1340046 25 O -2.4541035 0.2169064 -0.5862059 0.2601611 -1.6632340 -0.1050815 -0.6006172 -0.1315077 -2.1340046 26 O -2.0675276 -0.4833507 0.2020997 -0.4400960 -2.0498098 0.5602100 0.1864196 0.5859036 -2.1340046 27 O -2.4541035 -0.2169064 -0.5862059 -0.2601611 -1.6632340 0.1050815 -0.6006172 0.1315077 -2.1340046 28 O -2.4541035 -0.2169064 -0.5862059 -0.2601611 -1.6632340 0.1050815 -0.6006172 0.1315077 -2.1340046 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xyx) -0.00000003 (xyx) -0.00000003 (xxy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 5 ] 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: 0.62, Number of G-points: 313, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/58) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 58 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 2.970 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.654 ( 0.000 0.000 0.000) 0.000 6.228 ( 0.000 0.000 0.000) 0.000 6.228 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.876 ( 0.000 0.000 0.000) 0.000 7.108 ( 0.000 0.000 0.000) 0.000 7.108 ( 0.000 0.000 0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 7.254 ( 0.000 0.000 0.000) 0.000 7.691 ( 0.000 0.000 0.000) 0.000 7.898 ( 0.000 0.000 0.000) 0.000 7.898 ( 0.000 0.000 0.000) 0.000 8.398 ( 0.000 0.000 0.000) 0.000 8.398 ( 0.000 0.000 0.000) 0.000 8.468 ( 0.000 0.000 0.000) 0.000 8.468 ( 0.000 0.000 0.000) 0.000 8.473 ( 0.000 0.000 0.000) 0.000 8.774 ( 0.000 0.000 0.000) 0.000 8.774 ( 0.000 0.000 0.000) 0.000 9.263 ( 0.000 0.000 0.000) 0.000 9.635 ( 0.000 0.000 0.000) 0.000 9.635 ( 0.000 0.000 0.000) 0.000 9.756 ( 0.000 0.000 0.000) 0.000 9.929 ( 0.000 0.000 0.000) 0.000 9.929 ( 0.000 0.000 0.000) 0.000 9.981 ( 0.000 0.000 0.000) 0.000 9.981 ( 0.000 0.000 0.000) 0.000 10.280 ( 0.000 0.000 0.000) 0.000 10.340 ( 0.000 0.000 0.000) 0.000 10.340 ( 0.000 0.000 0.000) 0.000 10.422 ( 0.000 0.000 0.000) 0.000 10.644 ( 0.000 0.000 0.000) 0.000 10.751 ( 0.000 0.000 0.000) 0.000 11.940 ( 0.000 0.000 0.000) 0.000 12.329 ( 0.000 0.000 0.000) 0.000 12.329 ( 0.000 0.000 0.000) 0.000 12.514 ( 0.000 0.000 0.000) 0.000 12.514 ( 0.000 0.000 0.000) 0.000 12.550 ( 0.000 0.000 0.000) 0.000 12.550 ( 0.000 0.000 0.000) 0.000 12.656 ( 0.000 0.000 0.000) 0.000 12.656 ( 0.000 0.000 0.000) 0.000 13.027 ( 0.000 0.000 0.000) 0.000 13.123 ( 0.000 0.000 0.000) 0.000 13.681 ( 0.000 0.000 0.000) 0.000 13.681 ( 0.000 0.000 0.000) 0.000 13.863 ( 0.000 0.000 0.000) 0.000 13.863 ( 0.000 0.000 0.000) 0.000 14.045 ( 0.000 0.000 0.000) 0.000 14.045 ( 0.000 0.000 0.000) 0.000 14.143 ( 0.000 0.000 0.000) 0.000 14.143 ( 0.000 0.000 0.000) 0.000 14.275 ( 0.000 0.000 0.000) 0.000 14.332 ( 0.000 0.000 0.000) 0.000 14.529 ( 0.000 0.000 0.000) 0.000 15.094 ( 0.000 0.000 0.000) 0.000 15.094 ( 0.000 0.000 0.000) 0.000 15.432 ( 0.000 0.000 0.000) 0.000 15.534 ( 0.000 0.000 0.000) 0.000 15.534 ( 0.000 0.000 0.000) 0.000 15.676 ( 0.000 0.000 0.000) 0.000 15.927 ( 0.000 0.000 0.000) 0.000 16.003 ( 0.000 0.000 0.000) 0.000 16.138 ( 0.000 0.000 0.000) 0.000 16.809 ( 0.000 0.000 0.000) 0.000 16.809 ( 0.000 0.000 0.000) 0.000 17.121 ( 0.000 0.000 0.000) 0.000 17.121 ( 0.000 0.000 0.000) 0.000 17.414 ( 0.000 0.000 0.000) 0.000 17.617 ( 0.000 0.000 0.000) 0.000 20.792 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/58) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 29.828 17.221 0.000) 34.442 0.879 ( 37.799 21.823 0.000) 43.646 1.293 ( 54.866 31.677 0.000) 63.354 2.991 ( 1.834 1.059 0.000) 2.118 3.049 ( 6.623 3.824 0.000) 7.648 4.541 ( -8.384 -4.841 0.000) 9.681 4.674 ( 2.052 1.185 0.000) 2.369 5.291 ( -6.081 -3.511 0.000) 7.021 5.462 ( 4.635 2.676 0.000) 5.352 5.869 ( 12.060 6.963 0.000) 13.926 6.134 ( -3.985 -2.301 0.000) 4.601 6.157 ( -12.951 -7.477 0.000) 14.954 6.354 ( -3.228 -1.863 0.000) 3.727 6.407 ( -3.298 -1.904 0.000) 3.808 6.681 ( -2.423 -1.399 0.000) 2.798 6.712 ( 1.404 0.811 0.000) 1.622 6.932 ( 4.113 2.375 0.000) 4.749 7.001 ( -7.216 -4.166 0.000) 8.333 7.160 ( -1.556 -0.898 0.000) 1.797 7.243 ( 0.049 0.028 0.000) 0.057 7.250 ( 1.390 0.802 0.000) 1.605 7.284 ( 2.521 1.455 0.000) 2.911 7.727 ( 2.144 1.238 0.000) 2.476 7.895 ( -0.299 -0.173 0.000) 0.346 7.898 ( 1.012 0.584 0.000) 1.169 8.203 ( -15.032 -8.678 0.000) 17.357 8.438 ( 1.645 0.950 0.000) 1.900 8.472 ( 1.567 0.905 0.000) 1.810 8.493 ( 0.898 0.519 0.000) 1.037 8.544 ( 5.962 3.442 0.000) 6.884 8.802 ( 2.196 1.268 0.000) 2.535 9.199 ( -4.936 -2.850 0.000) 5.699 9.297 ( 9.451 5.457 0.000) 10.913 9.598 ( -3.052 -1.762 0.000) 3.524 9.696 ( -3.227 -1.863 0.000) 3.726 9.702 ( -3.047 -1.759 0.000) 3.519 9.841 ( -5.501 -3.176 0.000) 6.352 9.951 ( -2.890 -1.668 0.000) 3.337 10.020 ( 1.607 0.928 0.000) 1.856 10.184 ( -10.103 -5.833 0.000) 11.666 10.281 ( -0.879 -0.508 0.000) 1.016 10.323 ( -0.947 -0.547 0.000) 1.094 10.342 ( -8.542 -4.932 0.000) 9.863 10.581 ( 10.780 6.224 0.000) 12.447 10.699 ( -4.413 -2.548 0.000) 5.096 10.877 ( 10.513 6.070 0.000) 12.139 11.761 ( -11.753 -6.786 0.000) 13.571 12.339 ( 0.922 0.532 0.000) 1.064 12.428 ( 5.161 2.980 0.000) 5.960 12.471 ( -1.354 -0.781 0.000) 1.563 12.481 ( -1.354 -0.782 0.000) 1.564 12.557 ( 0.860 0.496 0.000) 0.993 12.699 ( 3.649 2.107 0.000) 4.213 12.848 ( 11.179 6.454 0.000) 12.909 13.068 ( -4.423 -2.553 0.000) 5.107 13.069 ( 3.357 1.938 0.000) 3.876 13.418 ( 0.063 0.036 0.000) 0.072 13.560 ( -8.888 -5.132 0.000) 10.263 13.765 ( -7.287 -4.207 0.000) 8.414 13.835 ( -1.628 -0.940 0.000) 1.880 13.925 ( -2.519 -1.454 0.000) 2.908 14.051 ( -3.147 -1.817 0.000) 3.634 14.115 ( 2.067 1.193 0.000) 2.386 14.154 ( 1.240 0.716 0.000) 1.432 14.328 ( 3.424 1.977 0.000) 3.953 14.417 ( 5.175 2.988 0.000) 5.976 14.622 ( 6.542 3.777 0.000) 7.554 14.998 ( -3.047 -1.759 0.000) 3.518 15.077 ( -1.427 -0.824 0.000) 1.648 15.405 ( -3.008 -1.737 0.000) 3.474 15.480 ( 2.865 1.654 0.000) 3.308 15.505 ( -1.797 -1.037 0.000) 2.074 15.615 ( -4.507 -2.602 0.000) 5.204 15.815 ( -9.004 -5.199 0.000) 10.397 16.099 ( 7.378 4.260 0.000) 8.519 16.271 ( 9.474 5.470 0.000) 10.940 16.780 ( -2.887 -1.667 0.000) 3.333 16.820 ( 0.631 0.364 0.000) 0.729 17.144 ( 1.803 1.041 0.000) 2.082 17.198 ( 6.209 3.585 0.000) 7.169 17.469 ( 4.228 2.441 0.000) 4.882 17.597 ( -1.539 -0.888 0.000) 1.777 19.234 ( 2.080 1.201 0.000) 2.402 20.704 ( -7.115 -4.108 0.000) 8.215 ======================= Grid point 2 (3/58) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 28.101 16.224 0.000) 32.448 1.734 ( 36.166 20.880 0.000) 41.761 2.494 ( 48.488 27.995 0.000) 55.989 3.052 ( 3.322 1.918 0.000) 3.835 3.253 ( 10.390 5.999 0.000) 11.998 4.325 ( -9.445 -5.453 0.000) 10.907 4.739 ( 3.325 1.919 0.000) 3.839 5.159 ( -5.546 -3.202 0.000) 6.404 5.608 ( 7.762 4.481 0.000) 8.963 5.845 ( -12.853 -7.420 0.000) 14.841 5.925 ( -4.266 -2.463 0.000) 4.926 6.138 ( -6.346 -3.664 0.000) 7.328 6.286 ( -6.342 -3.662 0.000) 7.323 6.323 ( 8.063 4.655 0.000) 9.310 6.582 ( -6.081 -3.511 0.000) 7.021 6.650 ( -7.889 -4.554 0.000) 9.109 6.906 ( -0.442 -0.255 0.000) 0.511 7.001 ( 0.488 0.282 0.000) 0.564 7.126 ( -0.480 -0.277 0.000) 0.554 7.211 ( -2.224 -1.284 0.000) 2.568 7.278 ( 0.674 0.389 0.000) 0.778 7.360 ( 3.882 2.241 0.000) 4.483 7.765 ( 1.141 0.659 0.000) 1.318 7.781 ( -14.764 -8.524 0.000) 17.048 7.957 ( 0.825 0.476 0.000) 0.952 7.979 ( 6.004 3.467 0.000) 6.933 8.464 ( 1.727 0.997 0.000) 1.994 8.477 ( -2.709 -1.564 0.000) 3.128 8.526 ( 1.817 1.049 0.000) 2.098 8.720 ( 8.311 4.799 0.000) 9.597 8.856 ( 1.767 1.020 0.000) 2.040 9.081 ( -3.972 -2.293 0.000) 4.586 9.436 ( -0.168 -0.097 0.000) 0.194 9.501 ( -5.395 -3.115 0.000) 6.229 9.560 ( -7.251 -4.186 0.000) 8.372 9.642 ( -4.024 -2.323 0.000) 4.646 9.715 ( -4.663 -2.692 0.000) 5.384 9.850 ( -4.883 -2.819 0.000) 5.638 9.984 ( -3.580 -2.067 0.000) 4.134 10.034 ( -0.608 -0.351 0.000) 0.702 10.220 ( -3.873 -2.236 0.000) 4.473 10.263 ( 1.672 0.966 0.000) 1.931 10.313 ( -0.161 -0.093 0.000) 0.186 10.556 ( -7.584 -4.378 0.000) 8.757 10.872 ( 13.271 7.662 0.000) 15.324 11.073 ( 6.259 3.614 0.000) 7.227 11.510 ( -9.383 -5.417 0.000) 10.835 12.341 ( -1.670 -0.964 0.000) 1.928 12.366 ( -4.203 -2.427 0.000) 4.854 12.471 ( 1.048 0.605 0.000) 1.210 12.585 ( 4.449 2.569 0.000) 5.138 12.602 ( 3.010 1.738 0.000) 3.476 12.747 ( -3.529 -2.037 0.000) 4.075 13.011 ( 3.568 2.060 0.000) 4.120 13.047 ( 5.056 2.919 0.000) 5.838 13.158 ( 3.533 2.040 0.000) 4.080 13.352 ( -7.315 -4.224 0.000) 8.447 13.415 ( -0.500 -0.288 0.000) 0.577 13.615 ( -4.462 -2.576 0.000) 5.152 13.822 ( 0.904 0.522 0.000) 1.044 13.843 ( -4.419 -2.551 0.000) 5.103 13.964 ( -2.842 -1.641 0.000) 3.282 14.203 ( 4.299 2.482 0.000) 4.964 14.208 ( 3.212 1.855 0.000) 3.709 14.392 ( 1.897 1.095 0.000) 2.190 14.507 ( 2.036 1.176 0.000) 2.351 14.779 ( 6.487 3.746 0.000) 7.491 14.884 ( -5.930 -3.424 0.000) 6.848 15.032 ( -2.473 -1.428 0.000) 2.856 15.352 ( -2.102 -1.214 0.000) 2.428 15.466 ( -4.835 -2.792 0.000) 5.583 15.477 ( -1.666 -0.962 0.000) 1.924 15.559 ( -11.108 -6.413 0.000) 12.826 15.638 ( 7.593 4.384 0.000) 8.767 16.302 ( 9.622 5.555 0.000) 11.111 16.492 ( 8.455 4.882 0.000) 9.763 16.666 ( -6.828 -3.942 0.000) 7.884 16.828 ( -0.002 -0.001 0.000) 0.003 17.182 ( 1.010 0.583 0.000) 1.166 17.372 ( 8.051 4.648 0.000) 9.296 17.566 ( -0.745 -0.430 0.000) 0.860 17.574 ( 4.141 2.391 0.000) 4.782 19.308 ( 4.306 2.486 0.000) 4.972 20.502 ( -9.508 -5.489 0.000) 10.979 ======================= Grid point 3 (4/58) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 24.909 14.381 0.000) 28.763 2.534 ( 32.957 19.028 0.000) 38.056 3.125 ( 2.357 1.361 0.000) 2.722 3.472 ( 34.891 20.144 0.000) 40.289 3.491 ( 9.459 5.461 0.000) 10.923 4.129 ( -7.323 -4.228 0.000) 8.456 4.804 ( 1.688 0.975 0.000) 1.949 5.035 ( -5.168 -2.984 0.000) 5.967 5.611 ( -6.379 -3.683 0.000) 7.366 5.811 ( 9.230 5.329 0.000) 10.658 5.831 ( -3.343 -1.930 0.000) 3.860 5.934 ( -8.726 -5.038 0.000) 10.076 6.171 ( -2.096 -1.210 0.000) 2.420 6.398 ( -9.741 -5.624 0.000) 11.248 6.436 ( -1.488 -0.859 0.000) 1.718 6.453 ( -7.685 -4.437 0.000) 8.874 6.879 ( -2.497 -1.442 0.000) 2.884 6.939 ( -4.829 -2.788 0.000) 5.576 7.151 ( 1.826 1.054 0.000) 2.108 7.205 ( 2.187 1.263 0.000) 2.525 7.257 ( -3.101 -1.791 0.000) 3.581 7.449 ( -11.992 -6.924 0.000) 13.847 7.451 ( 3.526 2.036 0.000) 4.072 7.794 ( 2.114 1.221 0.000) 2.441 8.059 ( 6.585 3.802 0.000) 7.603 8.145 ( 7.312 4.222 0.000) 8.443 8.361 ( -7.289 -4.208 0.000) 8.417 8.496 ( 0.198 0.114 0.000) 0.229 8.579 ( 3.826 2.209 0.000) 4.417 8.849 ( -1.777 -1.026 0.000) 2.051 8.884 ( 4.939 2.851 0.000) 5.703 9.068 ( 2.382 1.375 0.000) 2.751 9.315 ( -8.518 -4.918 0.000) 9.835 9.346 ( -10.279 -5.935 0.000) 11.869 9.353 ( -6.827 -3.941 0.000) 7.883 9.529 ( -2.193 -1.266 0.000) 2.533 9.645 ( -1.812 -1.046 0.000) 2.092 9.779 ( -3.396 -1.961 0.000) 3.922 9.982 ( -3.683 -2.126 0.000) 4.252 10.038 ( 6.083 3.512 0.000) 7.024 10.143 ( -2.253 -1.301 0.000) 2.602 10.281 ( -4.167 -2.406 0.000) 4.812 10.383 ( 7.584 4.379 0.000) 8.758 10.398 ( -4.013 -2.317 0.000) 4.634 11.078 ( 1.429 0.825 0.000) 1.650 11.227 ( 9.537 5.506 0.000) 11.012 11.320 ( -7.502 -4.332 0.000) 8.663 12.266 ( -4.120 -2.379 0.000) 4.757 12.276 ( -3.433 -1.982 0.000) 3.964 12.520 ( 2.587 1.493 0.000) 2.987 12.549 ( -9.071 -5.237 0.000) 10.474 12.682 ( 3.495 2.018 0.000) 4.036 12.684 ( 3.019 1.743 0.000) 3.486 13.075 ( -1.776 -1.026 0.000) 2.051 13.167 ( 6.461 3.730 0.000) 7.460 13.192 ( 0.726 0.419 0.000) 0.838 13.294 ( 0.831 0.480 0.000) 0.959 13.384 ( -1.999 -1.154 0.000) 2.308 13.586 ( 1.150 0.664 0.000) 1.327 13.755 ( -1.683 -0.972 0.000) 1.944 13.879 ( 3.573 2.063 0.000) 4.126 13.944 ( 1.533 0.885 0.000) 1.771 14.280 ( 2.475 1.429 0.000) 2.858 14.294 ( 3.256 1.880 0.000) 3.759 14.420 ( 0.843 0.487 0.000) 0.973 14.505 ( -1.600 -0.924 0.000) 1.847 14.767 ( -4.016 -2.319 0.000) 4.637 14.900 ( 3.517 2.030 0.000) 4.061 14.963 ( -3.335 -1.925 0.000) 3.851 15.217 ( -14.070 -8.123 0.000) 16.246 15.265 ( -5.043 -2.912 0.000) 5.824 15.401 ( -0.999 -0.577 0.000) 1.154 15.541 ( 3.116 1.799 0.000) 3.598 15.831 ( 8.196 4.732 0.000) 9.464 16.494 ( -7.056 -4.074 0.000) 8.148 16.519 ( 8.774 5.066 0.000) 10.131 16.616 ( 1.537 0.887 0.000) 1.775 16.822 ( -0.400 -0.231 0.000) 0.462 17.204 ( 1.884 1.088 0.000) 2.175 17.536 ( 5.383 3.108 0.000) 6.216 17.558 ( -0.426 -0.246 0.000) 0.492 17.644 ( 2.278 1.315 0.000) 2.631 19.430 ( 6.098 3.521 0.000) 7.041 20.296 ( -7.998 -4.618 0.000) 9.236 ======================= Grid point 4 (5/58) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 19.633 11.335 0.000) 22.670 3.111 ( -2.427 -1.401 0.000) 2.802 3.237 ( 25.328 14.623 0.000) 29.246 3.654 ( 4.541 2.622 0.000) 5.243 3.979 ( -6.493 -3.749 0.000) 7.497 4.054 ( 15.419 8.902 0.000) 17.805 4.798 ( -1.885 -1.088 0.000) 2.177 4.921 ( -4.586 -2.647 0.000) 5.295 5.548 ( 0.104 0.060 0.000) 0.120 5.766 ( -2.864 -1.654 0.000) 3.307 5.792 ( -2.872 -1.658 0.000) 3.317 6.020 ( 7.899 4.560 0.000) 9.121 6.163 ( -7.249 -4.185 0.000) 8.371 6.238 ( 5.090 2.939 0.000) 5.878 6.302 ( -5.844 -3.374 0.000) 6.748 6.341 ( -3.450 -1.992 0.000) 3.984 6.798 ( -3.955 -2.283 0.000) 4.566 6.830 ( -2.914 -1.682 0.000) 3.365 7.118 ( -7.660 -4.423 0.000) 8.846 7.189 ( 0.089 0.051 0.000) 0.103 7.260 ( -4.655 -2.688 0.000) 5.376 7.266 ( 2.119 1.223 0.000) 2.447 7.496 ( 0.396 0.228 0.000) 0.457 7.887 ( 5.234 3.022 0.000) 6.044 8.164 ( -7.353 -4.245 0.000) 8.490 8.238 ( 7.118 4.109 0.000) 8.219 8.269 ( 3.046 1.758 0.000) 3.517 8.501 ( 0.687 0.397 0.000) 0.794 8.670 ( 2.673 1.543 0.000) 3.087 8.823 ( 0.227 0.131 0.000) 0.262 8.879 ( -6.362 -3.673 0.000) 7.346 9.102 ( -4.912 -2.836 0.000) 5.671 9.128 ( 1.359 0.785 0.000) 1.569 9.235 ( -2.275 -1.314 0.000) 2.627 9.238 ( -1.619 -0.935 0.000) 1.870 9.523 ( 1.004 0.580 0.000) 1.160 9.603 ( -2.133 -1.231 0.000) 2.462 9.704 ( -2.525 -1.458 0.000) 2.916 9.898 ( -2.968 -1.714 0.000) 3.427 10.104 ( -1.368 -0.790 0.000) 1.579 10.159 ( -4.278 -2.470 0.000) 4.940 10.165 ( 4.102 2.368 0.000) 4.737 10.367 ( -0.290 -0.167 0.000) 0.334 10.559 ( 6.558 3.786 0.000) 7.572 11.030 ( -3.498 -2.020 0.000) 4.039 11.167 ( -5.335 -3.080 0.000) 6.161 11.423 ( 6.151 3.551 0.000) 7.103 12.179 ( -2.984 -1.723 0.000) 3.446 12.214 ( -1.837 -1.060 0.000) 2.121 12.363 ( -6.125 -3.536 0.000) 7.072 12.572 ( 1.758 1.015 0.000) 2.030 12.744 ( 1.698 0.981 0.000) 1.961 12.758 ( 2.893 1.670 0.000) 3.340 13.038 ( -0.909 -0.525 0.000) 1.050 13.225 ( 1.963 1.134 0.000) 2.267 13.245 ( 0.394 0.228 0.000) 0.455 13.305 ( -0.342 -0.197 0.000) 0.395 13.351 ( -0.502 -0.290 0.000) 0.580 13.584 ( -0.912 -0.526 0.000) 1.053 13.825 ( 5.984 3.455 0.000) 6.909 13.934 ( 1.258 0.726 0.000) 1.452 14.069 ( 8.634 4.985 0.000) 9.969 14.296 ( -0.967 -0.558 0.000) 1.117 14.340 ( 0.650 0.375 0.000) 0.750 14.436 ( 0.001 0.000 0.000) 0.001 14.492 ( 1.355 0.782 0.000) 1.565 14.678 ( -4.096 -2.365 0.000) 4.730 14.818 ( -9.117 -5.264 0.000) 10.527 14.927 ( -4.054 -2.341 0.000) 4.681 15.000 ( -0.432 -0.249 0.000) 0.498 15.161 ( -3.405 -1.966 0.000) 3.932 15.381 ( -0.940 -0.542 0.000) 1.085 15.618 ( 2.921 1.686 0.000) 3.373 15.982 ( 4.237 2.446 0.000) 4.892 16.389 ( -1.169 -0.675 0.000) 1.350 16.567 ( -4.865 -2.809 0.000) 5.617 16.690 ( 5.706 3.294 0.000) 6.588 16.811 ( -0.526 -0.304 0.000) 0.607 17.292 ( 5.338 3.082 0.000) 6.164 17.524 ( -2.809 -1.622 0.000) 3.243 17.587 ( -0.284 -0.164 0.000) 0.328 17.709 ( 2.945 1.700 0.000) 3.400 19.571 ( 5.541 3.199 0.000) 6.399 20.141 ( -5.286 -3.052 0.000) 6.103 ======================= Grid point 5 (6/58) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -0.000 -0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.765 ( 0.000 0.000 0.000) 0.000 4.856 ( 0.000 0.000 0.000) 0.000 5.562 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 6.194 ( -0.000 -0.000 0.000) 0.000 6.225 ( 0.000 0.000 0.000) 0.000 6.301 ( 0.000 0.000 0.000) 0.000 6.308 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 0.000) 0.000 6.891 ( -0.000 -0.000 0.000) 0.000 6.922 ( 0.000 0.000 0.000) 0.000 7.165 ( 0.000 0.000 0.000) 0.000 7.228 ( -0.000 -0.000 0.000) 0.000 7.290 ( -0.000 -0.000 0.000) 0.000 7.495 ( 0.000 0.000 0.000) 0.000 7.962 ( 0.000 0.000 0.000) 0.000 8.058 ( 0.000 0.000 0.000) 0.000 8.300 ( 0.000 0.000 0.000) 0.000 8.358 ( 0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 8.689 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 0.000) 0.000 8.843 ( 0.000 0.000 0.000) 0.000 9.057 ( 0.000 0.000 0.000) 0.000 9.126 ( 0.000 0.000 0.000) 0.000 9.229 ( 0.000 0.000 0.000) 0.000 9.231 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.569 ( 0.000 0.000 0.000) 0.000 9.674 ( 0.000 0.000 0.000) 0.000 9.863 ( 0.000 0.000 0.000) 0.000 10.087 ( 0.000 0.000 0.000) 0.000 10.110 ( -0.000 -0.000 0.000) 0.000 10.213 ( 0.000 0.000 0.000) 0.000 10.364 ( 0.000 0.000 0.000) 0.000 10.641 ( 0.000 0.000 0.000) 0.000 10.980 ( 0.000 0.000 0.000) 0.000 11.100 ( 0.000 0.000 0.000) 0.000 11.494 ( 0.000 0.000 0.000) 0.000 12.143 ( 0.000 0.000 0.000) 0.000 12.193 ( 0.000 0.000 0.000) 0.000 12.290 ( 0.000 0.000 0.000) 0.000 12.594 ( 0.000 0.000 0.000) 0.000 12.762 ( 0.000 0.000 0.000) 0.000 12.796 ( 0.000 0.000 0.000) 0.000 13.029 ( 0.000 0.000 0.000) 0.000 13.238 ( 0.000 0.000 0.000) 0.000 13.264 ( 0.000 0.000 0.000) 0.000 13.285 ( -0.000 -0.000 0.000) 0.000 13.347 ( 0.000 0.000 0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 13.912 ( 0.000 0.000 0.000) 0.000 13.948 ( 0.000 0.000 0.000) 0.000 14.272 ( -0.000 -0.000 0.000) 0.000 14.277 ( 0.000 0.000 0.000) 0.000 14.295 ( 0.000 0.000 0.000) 0.000 14.405 ( -0.000 -0.000 0.000) 0.000 14.542 ( 0.000 0.000 0.000) 0.000 14.597 ( 0.000 0.000 0.000) 0.000 14.682 ( 0.000 0.000 0.000) 0.000 14.875 ( 0.000 0.000 0.000) 0.000 15.010 ( 0.000 0.000 0.000) 0.000 15.121 ( 0.000 0.000 0.000) 0.000 15.367 ( 0.000 0.000 0.000) 0.000 15.654 ( 0.000 0.000 0.000) 0.000 16.025 ( 0.000 0.000 0.000) 0.000 16.436 ( 0.000 0.000 0.000) 0.000 16.449 ( -0.000 -0.000 0.000) 0.000 16.763 ( 0.000 0.000 0.000) 0.000 16.801 ( 0.000 0.000 0.000) 0.000 17.401 ( -0.000 -0.000 0.000) 0.000 17.448 ( 0.000 0.000 0.000) 0.000 17.576 ( 0.000 0.000 0.000) 0.000 17.746 ( 0.000 0.000 0.000) 0.000 19.645 ( 0.000 0.000 0.000) 0.000 20.073 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/58) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 17.404 30.144 -11.055) 36.521 1.473 ( 20.687 35.831 -7.639) 42.073 2.189 ( 29.202 50.580 10.116) 59.274 3.040 ( 2.145 3.714 7.041) 8.244 3.184 ( 5.316 9.208 -6.689) 12.562 4.385 ( -5.491 -9.511 2.020) 11.166 4.719 ( 1.884 3.263 -0.422) 3.792 5.193 ( -3.281 -5.683 2.992) 7.212 5.558 ( 3.859 6.685 -2.780) 8.204 5.869 ( -5.614 -9.724 5.630) 12.561 6.062 ( -5.044 -8.737 -6.928) 12.239 6.121 ( 2.029 3.515 6.235) 7.440 6.286 ( -4.297 -7.443 0.055) 8.595 6.291 ( 0.551 0.955 -7.060) 7.145 6.616 ( -2.462 -4.264 -0.699) 4.973 6.731 ( -1.154 -1.998 1.668) 2.848 6.880 ( -3.548 -6.146 -4.243) 8.268 7.016 ( 3.150 5.457 -1.695) 6.525 7.105 ( -2.310 -4.001 3.580) 5.845 7.248 ( -0.290 -0.502 0.980) 1.139 7.257 ( -0.258 -0.447 2.343) 2.399 7.345 ( 2.182 3.780 -1.390) 4.580 7.754 ( 0.607 1.051 2.137) 2.457 7.903 ( -4.294 -7.437 -4.739) 9.808 7.910 ( 1.377 2.385 0.642) 2.828 7.967 ( -2.717 -4.705 -0.171) 5.436 8.459 ( -0.176 -0.305 -3.827) 3.844 8.463 ( 0.331 0.574 6.552) 6.586 8.584 ( 2.133 3.695 9.185) 10.127 8.616 ( 3.580 6.200 -5.432) 8.987 8.839 ( 1.038 1.799 -5.456) 5.838 9.104 ( -3.352 -5.806 0.986) 6.776 9.437 ( 3.369 5.836 -0.262) 6.743 9.546 ( -1.988 -3.444 0.200) 3.982 9.624 ( -3.741 -6.479 1.759) 7.685 9.626 ( -2.259 -3.913 -5.126) 6.833 9.823 ( -1.994 -3.453 -0.180) 3.991 9.894 ( -3.094 -5.359 0.066) 6.189 9.910 ( -1.817 -3.147 3.881) 5.317 10.059 ( -3.329 -5.766 1.164) 6.759 10.230 ( -1.945 -3.370 -0.205) 3.896 10.268 ( -1.066 -1.846 -0.263) 2.148 10.318 ( 0.217 0.375 -3.405) 3.432 10.603 ( -3.989 -6.910 0.768) 8.016 10.799 ( 7.869 13.630 3.514) 16.126 11.023 ( 3.819 6.614 0.495) 7.654 11.569 ( -6.122 -10.603 -1.137) 12.296 12.310 ( -1.773 -3.071 -1.332) 3.788 12.442 ( -1.096 -1.898 1.368) 2.584 12.450 ( 0.705 1.221 -1.811) 2.295 12.581 ( 1.844 3.193 -1.587) 4.015 12.636 ( 5.462 9.460 6.473) 12.697 12.683 ( -0.599 -1.037 -2.298) 2.592 12.966 ( -3.353 -5.808 4.797) 8.246 13.046 ( 5.406 9.363 -1.645) 10.936 13.133 ( 2.013 3.486 -3.947) 5.638 13.404 ( -5.011 -8.680 0.701) 10.047 13.417 ( -0.136 -0.236 -1.065) 1.099 13.660 ( -3.355 -5.810 -1.452) 6.865 13.762 ( -1.836 -3.180 1.817) 4.097 13.908 ( -0.895 -1.550 -0.986) 2.043 14.054 ( -0.296 -0.513 2.613) 2.679 14.072 ( -0.403 -0.698 -2.489) 2.616 14.230 ( 3.024 5.239 -1.432) 6.216 14.381 ( 1.478 2.560 0.478) 2.994 14.487 ( 1.701 2.947 1.455) 3.700 14.729 ( 3.097 5.365 -4.974) 7.945 14.940 ( -1.763 -3.053 -2.591) 4.375 15.037 ( -1.723 -2.984 0.569) 3.493 15.373 ( -2.258 -3.910 -0.582) 4.553 15.475 ( -2.894 -5.013 -1.036) 5.880 15.487 ( 2.496 4.324 -0.961) 5.084 15.591 ( 1.000 1.733 1.618) 2.573 15.632 ( -6.820 -11.812 -0.902) 13.670 16.245 ( 5.475 9.483 -1.707) 11.082 16.435 ( 5.347 9.262 0.732) 10.720 16.718 ( -2.859 -4.952 1.663) 5.955 16.825 ( 0.030 0.051 -1.579) 1.580 17.226 ( 2.733 4.734 0.885) 5.538 17.263 ( 2.206 3.821 13.244) 13.960 17.546 ( 2.607 4.516 0.098) 5.216 17.578 ( -0.116 -0.200 -6.230) 6.234 19.284 ( 2.185 3.785 0.787) 4.441 20.561 ( -5.399 -9.352 -0.374) 10.805 ======================= Grid point 13 (8/58) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 17.674 27.010 -6.835) 32.994 2.224 ( 27.867 27.686 -6.371) 39.795 3.125 ( 4.273 7.370 5.486) 10.133 3.159 ( 28.558 32.897 5.805) 43.949 3.391 ( 8.233 7.182 -3.686) 11.530 4.199 ( -6.178 -6.408 2.527) 9.253 4.792 ( 2.149 3.130 -1.425) 4.055 5.076 ( -3.993 -4.829 3.308) 7.086 5.661 ( -6.084 -8.370 4.890) 11.445 5.715 ( 6.378 5.326 -1.943) 8.533 5.884 ( -5.606 -4.398 -3.420) 7.903 5.994 ( -6.381 -9.480 1.437) 11.518 6.158 ( -2.171 -5.680 -2.200) 6.467 6.441 ( 2.918 4.834 -3.146) 6.464 6.484 ( -6.189 -5.427 2.233) 8.529 6.595 ( -8.984 -3.826 0.401) 9.773 6.809 ( 0.021 -5.163 -4.721) 6.996 7.005 ( -0.372 -8.782 -0.843) 8.830 7.098 ( -2.555 6.110 -2.169) 6.969 7.212 ( -0.967 -4.920 1.775) 5.319 7.251 ( 2.053 -0.247 0.995) 2.295 7.422 ( 2.387 3.261 -0.281) 4.051 7.619 ( -11.800 -6.500 5.301) 14.477 7.772 ( 0.853 0.195 1.239) 1.517 8.005 ( 4.933 4.883 -0.832) 6.991 8.064 ( 6.249 5.116 -5.372) 9.699 8.428 ( -3.421 -1.618 0.439) 3.809 8.473 ( 1.928 -0.837 -0.894) 2.284 8.613 ( -2.404 5.238 6.698) 8.836 8.765 ( 6.174 -0.734 4.229) 7.519 8.865 ( 1.579 1.370 -8.561) 8.812 9.016 ( -0.008 -3.378 1.549) 3.716 9.400 ( -7.248 -5.753 -0.228) 9.257 9.451 ( -7.105 -3.278 1.638) 7.994 9.506 ( -1.919 0.608 -2.031) 2.860 9.565 ( -5.103 -3.063 -2.421) 6.425 9.658 ( -4.761 -3.311 -3.656) 6.855 9.816 ( -4.844 -1.785 3.738) 6.373 9.935 ( 5.349 -4.093 1.654) 6.935 9.999 ( 1.631 1.130 -2.417) 3.127 10.195 ( -3.507 0.502 2.676) 4.440 10.268 ( 4.242 -0.610 5.569) 7.027 10.330 ( -0.452 0.389 -4.016) 4.060 10.448 ( -4.589 -4.897 -2.652) 7.216 11.049 ( 4.134 6.703 5.308) 9.497 11.116 ( 5.712 0.729 2.305) 6.203 11.373 ( -5.568 -7.530 -2.869) 9.795 12.240 ( -1.596 -4.741 0.979) 5.097 12.364 ( -4.778 -0.893 -0.494) 4.886 12.510 ( 3.153 -0.699 -2.390) 4.018 12.610 ( -2.718 -2.571 -5.911) 6.995 12.649 ( 0.703 3.746 1.493) 4.093 12.752 ( -4.470 7.395 7.053) 11.154 12.977 ( 9.860 -2.278 4.470) 11.063 13.139 ( -0.265 1.184 -2.797) 3.049 13.191 ( 1.062 1.665 -3.049) 3.633 13.303 ( -0.456 0.531 1.442) 1.603 13.400 ( -1.193 -1.345 -0.848) 1.987 13.583 ( -0.815 -0.386 -0.297) 0.949 13.728 ( 1.092 -3.182 2.487) 4.184 13.887 ( -0.585 1.467 -3.353) 3.706 13.994 ( -4.369 4.147 -0.882) 6.088 14.141 ( 7.033 -3.652 0.094) 7.926 14.333 ( 1.649 5.717 0.023) 5.950 14.415 ( 0.479 1.234 -0.145) 1.332 14.514 ( 0.083 -0.756 -0.408) 0.863 14.764 ( -0.520 -2.560 -3.145) 4.089 14.937 ( -0.952 5.234 -4.861) 7.206 14.967 ( -1.504 -4.108 0.354) 4.389 15.305 ( -1.146 -6.025 -3.371) 6.998 15.336 ( -8.826 -7.911 -0.844) 11.882 15.366 ( -4.104 -6.254 -0.233) 7.484 15.582 ( -1.448 6.486 1.273) 6.766 15.705 ( 9.372 2.024 2.609) 9.937 16.440 ( 6.092 6.867 -4.291) 10.133 16.583 ( 2.013 2.404 3.459) 4.668 16.594 ( -4.260 -1.966 4.201) 6.298 16.822 ( -0.081 -0.524 -2.549) 2.604 17.246 ( -3.175 4.876 8.390) 10.210 17.394 ( 8.713 -1.124 8.674) 12.346 17.602 ( 0.291 3.471 -9.215) 9.851 17.622 ( 2.080 2.014 -1.205) 3.136 19.385 ( 4.235 5.253 0.599) 6.774 20.366 ( -6.630 -7.528 -0.515) 10.044 ======================= Grid point 14 (9/58) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 15.537 22.671 -2.984) 27.645 2.949 ( 26.148 21.925 -4.200) 34.381 3.192 ( -1.834 5.399 2.459) 6.209 3.578 ( 6.898 2.886 1.400) 7.608 3.863 ( 19.634 16.758 1.419) 25.853 4.053 ( -5.440 -3.021 0.344) 6.232 4.828 ( -1.119 1.111 -2.454) 2.917 4.965 ( -3.792 -3.692 3.066) 6.116 5.533 ( -0.983 -3.983 1.630) 4.415 5.753 ( -1.514 -5.040 2.243) 5.721 5.785 ( -3.147 -7.263 -3.443) 8.631 5.941 ( 8.120 1.927 2.200) 8.630 6.129 ( 1.073 0.934 -3.621) 3.890 6.250 ( -8.900 -8.580 0.558) 12.375 6.374 ( -6.961 -4.721 -2.597) 8.803 6.489 ( -5.674 3.962 5.169) 8.637 6.754 ( -0.433 -3.188 -3.629) 4.849 6.969 ( 5.993 -10.115 -3.793) 12.354 7.013 ( -10.058 2.900 0.167) 10.469 7.152 ( 0.534 -7.023 0.753) 7.084 7.272 ( -1.542 -3.940 -1.705) 4.562 7.428 ( -6.028 6.713 1.612) 9.165 7.490 ( 0.864 0.017 3.524) 3.628 7.803 ( 3.540 -0.700 0.591) 3.657 8.167 ( 5.782 6.632 -1.938) 9.009 8.208 ( 4.053 2.501 -1.112) 4.890 8.324 ( -6.621 1.142 0.878) 6.775 8.493 ( 0.925 -0.233 -1.308) 1.619 8.644 ( 1.491 3.003 1.934) 3.870 8.765 ( 1.332 -5.386 0.010) 5.548 8.920 ( -0.468 0.496 -1.855) 1.976 9.059 ( 5.683 0.611 3.442) 6.672 9.187 ( -8.226 -6.042 4.266) 11.062 9.311 ( -7.583 0.731 -1.394) 7.745 9.410 ( -9.638 5.671 -5.054) 12.272 9.499 ( 0.933 -1.305 -2.652) 3.099 9.623 ( 0.572 -1.623 -0.646) 1.838 9.704 ( -3.819 -4.001 -0.140) 5.533 9.930 ( -0.539 -2.151 0.025) 2.218 10.116 ( 3.134 2.910 2.132) 4.778 10.144 ( -2.055 1.473 -1.203) 2.801 10.224 ( -4.797 -2.163 3.473) 6.304 10.323 ( 2.873 -2.998 4.133) 5.859 10.485 ( 5.620 3.594 -4.709) 8.166 11.019 ( -2.123 -6.902 0.076) 7.222 11.140 ( -1.622 -11.561 3.049) 12.066 11.350 ( 5.408 3.592 3.171) 7.225 12.175 ( -0.552 -3.798 1.706) 4.200 12.273 ( -4.830 0.052 -0.346) 4.842 12.424 ( -5.386 -6.039 -6.314) 10.264 12.630 ( 2.206 3.845 -0.995) 4.543 12.691 ( -1.354 5.303 3.297) 6.389 12.780 ( 0.483 4.607 3.199) 5.629 13.041 ( 0.497 -1.388 0.685) 1.626 13.199 ( 4.636 1.141 -1.845) 5.119 13.215 ( 0.765 0.583 -2.518) 2.695 13.312 ( -0.607 0.009 2.205) 2.287 13.358 ( -1.321 -1.313 -0.360) 1.897 13.607 ( 0.569 2.156 0.470) 2.279 13.753 ( 4.082 1.709 3.113) 5.411 13.919 ( 1.718 1.751 -3.787) 4.512 14.025 ( 2.568 5.843 -2.227) 6.759 14.219 ( 6.004 -3.777 -1.373) 7.225 14.356 ( -2.600 0.499 0.785) 2.761 14.449 ( 0.425 3.538 -3.055) 4.694 14.503 ( 0.311 -0.064 1.905) 1.931 14.708 ( -3.015 -2.431 -1.754) 4.251 14.868 ( -2.906 -6.059 -0.293) 6.726 14.957 ( -4.008 -3.385 -5.801) 7.821 15.059 ( -7.078 -2.247 -2.513) 7.840 15.242 ( -5.188 -0.052 1.209) 5.327 15.343 ( 4.460 -3.085 -0.658) 5.463 15.605 ( -1.358 2.678 0.576) 3.057 15.886 ( 8.766 1.032 2.397) 9.147 16.436 ( -4.602 -1.099 -0.294) 4.741 16.582 ( -1.595 -2.581 8.382) 8.915 16.652 ( 4.554 5.013 0.402) 6.785 16.810 ( -0.244 -1.239 -2.739) 3.016 17.278 ( 1.317 5.566 4.034) 6.999 17.494 ( 3.612 -1.626 4.057) 5.670 17.619 ( -1.450 1.387 -3.612) 4.132 17.674 ( 2.288 1.534 -3.282) 4.285 19.526 ( 5.064 6.049 0.160) 7.891 20.196 ( -5.532 -5.206 -0.156) 7.598 ======================= Grid point 15 (10/58) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 9.463 16.669 -0.274) 19.170 3.117 ( -9.790 2.621 1.929) 10.316 3.545 ( 18.182 15.145 -2.701) 23.817 3.675 ( 3.032 -0.663 2.789) 4.173 3.912 ( -9.248 -2.949 -2.470) 10.016 4.173 ( 6.379 2.616 -0.669) 6.927 4.788 ( -2.463 -0.246 -3.242) 4.079 4.878 ( -2.702 -1.237 3.006) 4.226 5.526 ( 2.472 -2.321 2.257) 4.073 5.684 ( 1.321 -8.232 1.921) 8.556 5.722 ( 0.934 -0.903 -3.608) 3.835 5.990 ( -0.607 -10.350 3.266) 10.870 6.100 ( 2.200 -5.837 -5.186) 8.112 6.162 ( 2.053 -0.104 -1.824) 2.748 6.313 ( 0.402 3.863 2.009) 4.373 6.447 ( -5.354 4.946 4.538) 8.586 6.761 ( 0.829 3.149 -3.924) 5.099 6.893 ( -1.547 1.508 -1.339) 2.542 6.982 ( -0.064 -3.304 -1.853) 3.788 7.083 ( 1.061 -5.540 2.380) 6.122 7.150 ( -4.397 -5.546 0.776) 7.120 7.444 ( -3.295 8.011 -1.546) 8.799 7.480 ( 0.147 -2.370 0.589) 2.446 7.865 ( 5.580 -4.950 1.004) 7.526 8.146 ( -6.278 2.744 1.634) 7.044 8.312 ( -0.271 2.734 -0.797) 2.860 8.341 ( 3.635 4.547 2.337) 6.273 8.512 ( 0.671 0.608 -0.566) 1.068 8.685 ( 1.194 1.510 -4.449) 4.848 8.778 ( 4.090 -3.532 -0.618) 5.439 8.832 ( -7.244 -0.379 1.614) 7.431 9.060 ( -1.581 -1.684 8.208) 8.526 9.145 ( 0.721 1.341 -4.185) 4.453 9.240 ( -1.554 2.228 -0.154) 2.721 9.344 ( -6.572 8.177 -4.915) 11.585 9.510 ( 2.562 -2.711 -0.750) 3.805 9.577 ( -3.683 -0.809 -0.357) 3.788 9.669 ( 1.717 -0.920 -0.511) 2.014 9.890 ( -2.225 0.401 -0.570) 2.331 10.096 ( -0.212 0.652 1.095) 1.292 10.140 ( -3.091 0.466 1.224) 3.357 10.212 ( 0.561 1.166 4.880) 5.048 10.351 ( 1.425 0.494 -1.323) 2.006 10.598 ( 4.464 -0.875 -0.657) 4.596 10.917 ( 0.907 -8.391 -0.356) 8.448 11.009 ( 2.032 -11.892 0.890) 12.097 11.447 ( 3.801 -1.654 6.928) 8.073 12.151 ( 1.505 -3.139 3.041) 4.622 12.212 ( -3.870 3.402 -1.564) 5.385 12.302 ( -2.837 -2.504 -7.324) 8.244 12.688 ( -2.716 7.741 3.533) 8.932 12.715 ( 0.975 -0.070 -0.384) 1.050 12.828 ( 0.194 2.748 2.613) 3.797 13.037 ( -0.412 0.688 -0.348) 0.874 13.232 ( 1.414 -0.516 -0.330) 1.541 13.248 ( 0.115 -0.071 -0.849) 0.860 13.286 ( -0.423 -1.287 -0.735) 1.541 13.341 ( 0.214 -0.785 -0.274) 0.859 13.623 ( -2.042 4.336 0.063) 4.793 13.867 ( 4.785 0.964 3.307) 5.896 13.953 ( 0.193 0.812 -3.387) 3.488 14.184 ( 7.882 4.915 -4.334) 10.250 14.270 ( 3.379 -2.748 -1.181) 4.513 14.309 ( -2.050 0.000 -2.851) 3.512 14.452 ( -4.034 1.287 0.170) 4.238 14.524 ( 1.182 0.428 2.837) 3.103 14.618 ( -3.137 -2.798 -1.829) 4.584 14.701 ( -5.080 -5.523 0.214) 7.507 14.848 ( 0.130 -4.542 -2.115) 5.012 15.043 ( -1.345 3.934 -9.286) 10.174 15.168 ( -3.774 1.684 3.138) 5.189 15.397 ( 0.822 2.905 5.245) 6.052 15.589 ( 1.276 -4.665 -3.483) 5.960 16.003 ( 4.071 -0.744 0.611) 4.183 16.402 ( 0.767 1.686 5.382) 5.692 16.483 ( -4.136 -3.943 8.409) 10.167 16.758 ( 2.673 2.019 -1.568) 3.699 16.793 ( 0.035 -1.710 -2.343) 2.901 17.383 ( 3.681 5.181 0.819) 6.408 17.480 ( -3.112 -1.265 0.542) 3.403 17.598 ( -1.572 0.931 -2.776) 3.324 17.721 ( 2.078 -0.675 -0.264) 2.201 19.653 ( 2.064 4.866 -0.283) 5.293 20.080 ( -2.455 -3.103 0.390) 3.976 ======================= Grid point 23 (11/58) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 14.876 25.766 -5.025) 30.173 2.813 ( 17.552 30.401 -6.830) 35.762 3.252 ( 3.577 6.196 4.432) 8.416 3.517 ( 2.919 5.055 0.960) 5.916 3.768 ( 14.052 24.339 3.310) 28.298 4.088 ( -2.590 -4.486 0.963) 5.269 4.845 ( 0.887 1.537 -3.601) 4.014 4.978 ( -2.692 -4.663 4.917) 7.292 5.518 ( -3.112 -5.389 2.628) 6.755 5.743 ( -4.087 -7.078 2.842) 8.653 5.808 ( -4.550 -7.882 0.570) 9.119 5.825 ( 1.994 3.453 -6.493) 7.620 6.149 ( 2.460 4.261 0.316) 4.930 6.288 ( -6.922 -11.988 1.554) 13.930 6.423 ( -6.072 -10.518 -3.591) 12.665 6.543 ( 1.233 2.136 1.601) 2.941 6.792 ( 0.715 1.238 -6.779) 6.928 6.827 ( -3.681 -6.376 0.162) 7.364 7.081 ( -3.476 -6.020 0.449) 6.965 7.156 ( -2.806 -4.860 2.890) 6.312 7.238 ( 1.134 1.965 -6.200) 6.602 7.470 ( 0.072 0.125 4.966) 4.968 7.525 ( -1.164 -2.016 3.887) 4.531 7.775 ( -0.105 -0.182 0.506) 0.548 8.154 ( 5.411 9.372 1.039) 10.871 8.174 ( 2.955 5.118 -5.068) 7.785 8.409 ( -0.647 -1.121 -0.848) 1.548 8.455 ( 0.245 0.425 -2.520) 2.567 8.664 ( -0.128 -0.221 5.853) 5.859 8.727 ( -1.170 -2.027 -1.152) 2.609 8.939 ( 2.846 4.930 -1.687) 5.937 8.986 ( 0.525 0.910 1.624) 1.935 9.233 ( -5.126 -8.879 6.070) 11.915 9.443 ( -0.140 -0.243 -2.221) 2.239 9.452 ( -1.603 -2.776 -0.494) 3.243 9.546 ( -1.010 -1.750 -5.134) 5.518 9.562 ( -2.471 -4.279 -3.178) 5.875 9.789 ( -2.477 -4.291 -3.402) 6.010 9.867 ( 0.884 1.531 2.052) 2.709 10.097 ( 3.235 5.603 1.033) 6.552 10.215 ( 1.120 1.939 3.158) 3.871 10.221 ( -4.052 -7.019 -0.368) 8.113 10.279 ( 0.118 0.204 8.950) 8.953 10.451 ( 1.675 2.902 -6.726) 7.515 11.006 ( -4.188 -7.253 -0.957) 8.430 11.074 ( -5.331 -9.233 5.925) 12.197 11.320 ( 1.713 2.967 3.192) 4.683 12.159 ( -2.050 -3.550 4.338) 5.969 12.333 ( -1.036 -1.794 -3.769) 4.301 12.421 ( -3.632 -6.290 -3.988) 8.286 12.605 ( 1.760 3.048 -3.606) 5.039 12.740 ( 2.349 4.068 1.741) 5.010 12.907 ( 0.838 1.452 8.635) 8.796 12.952 ( 2.344 4.061 -0.350) 4.702 13.153 ( 1.274 2.206 -1.901) 3.178 13.218 ( 0.285 0.493 -4.339) 4.376 13.317 ( -0.324 -0.562 2.252) 2.344 13.364 ( -1.104 -1.913 -0.496) 2.263 13.609 ( 1.783 3.088 0.684) 3.631 13.725 ( 1.726 2.989 4.087) 5.349 13.922 ( 1.195 2.070 -6.621) 7.039 14.068 ( 0.381 0.660 -6.276) 6.322 14.103 ( 1.511 2.617 3.349) 4.511 14.393 ( 0.102 0.177 5.802) 5.805 14.471 ( 2.388 4.136 -4.228) 6.378 14.481 ( -1.040 -1.801 -3.186) 3.805 14.735 ( -0.600 -1.040 -3.979) 4.156 14.845 ( -3.766 -6.523 1.638) 7.708 14.984 ( -3.772 -6.532 -6.502) 9.959 15.153 ( -1.545 -2.677 -0.318) 3.107 15.219 ( -1.382 -2.393 -9.383) 9.781 15.308 ( -1.004 -1.739 2.304) 3.057 15.681 ( 0.296 0.512 7.547) 7.570 15.761 ( 3.283 5.686 0.467) 6.582 16.480 ( -1.215 -2.105 -3.744) 4.464 16.591 ( -1.381 -2.391 10.561) 10.916 16.628 ( 3.039 5.264 2.019) 6.405 16.802 ( -0.970 -1.680 -2.806) 3.411 17.319 ( 1.351 2.341 12.373) 12.665 17.427 ( 2.780 4.814 -1.154) 5.678 17.638 ( 0.005 0.008 -0.371) 0.371 17.666 ( 1.150 1.991 -7.825) 8.156 19.513 ( 4.253 7.367 0.437) 8.518 20.219 ( -4.022 -6.967 -0.379) 8.053 ======================= Grid point 24 (12/58) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 10.223 22.138 -1.477) 24.430 3.299 ( -2.201 8.203 2.582) 8.877 3.414 ( 15.261 20.301 -5.372) 25.960 3.592 ( 4.233 -1.601 5.910) 7.444 4.010 ( -4.071 -1.475 -2.713) 5.109 4.095 ( 6.630 6.267 -0.683) 9.149 4.827 ( -2.693 -1.969 -5.330) 6.288 4.904 ( -1.848 -1.961 5.813) 6.407 5.458 ( 1.047 -3.024 0.361) 3.220 5.610 ( -2.389 -7.601 3.372) 8.651 5.700 ( -0.688 -2.433 -0.409) 2.561 5.878 ( 2.315 -4.418 -3.752) 6.241 6.044 ( -4.926 -10.426 -0.074) 11.531 6.162 ( -3.684 -5.031 -3.061) 6.946 6.342 ( 1.737 4.223 0.350) 4.580 6.535 ( -2.474 -0.825 4.744) 5.414 6.784 ( 1.415 5.103 -2.062) 5.683 6.842 ( 2.359 -0.657 -7.675) 8.057 6.988 ( 0.778 -6.094 -0.883) 6.207 7.047 ( -4.364 -0.644 4.542) 6.331 7.218 ( -4.019 -1.492 -4.129) 5.952 7.437 ( 0.157 -4.339 9.817) 10.734 7.534 ( -0.579 3.121 -2.416) 3.989 7.761 ( 0.719 -3.363 -0.017) 3.439 8.230 ( -0.580 1.336 2.052) 2.516 8.329 ( 3.759 5.958 3.081) 7.689 8.392 ( -2.905 5.697 -1.533) 6.576 8.493 ( 2.544 0.207 -1.203) 2.822 8.667 ( 2.205 -1.029 -3.071) 3.918 8.707 ( 0.778 1.241 -4.326) 4.568 8.951 ( -5.562 2.709 0.505) 6.207 9.072 ( 2.254 -0.076 6.280) 6.673 9.089 ( 0.756 -3.960 2.904) 4.968 9.356 ( -7.202 2.963 -1.149) 7.872 9.444 ( -0.088 -4.889 -0.828) 4.959 9.500 ( -1.094 2.672 -5.167) 5.919 9.575 ( 4.673 -1.588 -2.279) 5.436 9.692 ( -6.412 2.565 -4.530) 8.260 9.906 ( 0.905 -0.414 -0.147) 1.006 10.112 ( -1.209 -0.437 1.380) 1.886 10.150 ( 1.368 -0.303 4.866) 5.064 10.262 ( -3.085 1.319 7.370) 8.098 10.339 ( 4.067 6.619 -0.079) 7.769 10.493 ( 2.880 -3.830 -2.154) 5.254 10.841 ( -3.475 -9.864 -0.464) 10.469 10.865 ( -2.401 -14.157 0.084) 14.359 11.367 ( 2.227 -1.712 9.315) 9.730 12.102 ( -0.342 -3.566 7.373) 8.197 12.294 ( -2.888 0.311 -6.029) 6.692 12.324 ( -1.662 -2.386 -7.931) 8.447 12.685 ( 2.267 3.915 -0.090) 4.525 12.808 ( 1.083 3.478 3.512) 5.060 12.878 ( -3.943 3.850 5.451) 7.752 13.044 ( 1.855 2.361 -2.395) 3.841 13.211 ( 0.578 -0.376 -2.052) 2.165 13.219 ( 2.364 0.184 -1.175) 2.646 13.281 ( -1.116 -2.278 0.340) 2.559 13.334 ( -0.625 -1.171 -0.925) 1.618 13.686 ( 1.308 5.240 2.261) 5.855 13.819 ( 3.152 4.041 5.038) 7.186 13.956 ( 0.270 1.979 -8.430) 8.664 14.103 ( 4.463 -0.683 -9.151) 10.204 14.184 ( 3.960 2.908 3.229) 5.879 14.369 ( -2.849 1.570 2.396) 4.040 14.473 ( 2.020 -1.899 -1.039) 2.961 14.538 ( -0.144 4.233 -3.803) 5.692 14.667 ( -5.735 -2.637 -1.895) 6.591 14.724 ( -4.407 -8.408 -0.348) 9.499 14.794 ( -1.617 -7.485 -1.388) 7.782 15.131 ( -3.449 4.987 -9.846) 11.563 15.225 ( 0.234 -1.478 -4.351) 4.601 15.331 ( 5.303 2.018 2.269) 6.111 15.628 ( -6.049 0.003 7.806) 9.875 15.871 ( 6.530 -3.168 3.124) 7.902 16.446 ( -1.886 1.890 0.059) 2.671 16.517 ( -3.136 -2.535 11.442) 12.131 16.715 ( 2.854 0.834 0.336) 2.992 16.761 ( -0.105 -3.725 -1.648) 4.075 17.384 ( 2.079 4.323 4.733) 6.739 17.511 ( 0.938 3.251 -2.608) 4.272 17.628 ( -0.807 0.145 -1.300) 1.537 17.686 ( 0.712 -0.565 -3.186) 3.313 19.665 ( 3.941 7.561 0.119) 8.527 20.090 ( -3.564 -5.442 0.235) 6.510 ======================= Grid point 25 (13/58) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( -6.732 11.659 0.468) 13.471 3.225 ( -5.117 8.863 2.815) 10.614 3.625 ( 2.532 -4.386 5.529) 7.498 3.781 ( -2.750 4.763 -2.633) 6.098 3.887 ( -1.945 3.369 -5.229) 6.518 4.173 ( 1.040 -1.801 -2.633) 3.355 4.773 ( 0.757 -1.311 -6.100) 6.285 4.877 ( -0.502 0.869 6.208) 6.288 5.472 ( 1.528 -2.647 3.066) 4.329 5.529 ( 3.252 -5.632 0.968) 6.575 5.754 ( 5.778 -10.007 2.339) 11.790 5.757 ( -1.987 3.442 -4.482) 5.990 6.018 ( 2.379 -4.120 -3.658) 6.001 6.062 ( 3.361 -5.821 -2.774) 7.272 6.425 ( -1.858 3.219 5.365) 6.527 6.458 ( 1.102 -1.909 0.090) 2.206 6.848 ( -2.051 3.553 -6.711) 7.866 6.862 ( 0.116 -0.201 -7.257) 7.260 6.963 ( 2.272 -3.935 1.143) 4.685 7.082 ( -2.592 4.489 -1.114) 5.302 7.108 ( -1.370 2.372 6.064) 6.654 7.403 ( 2.460 -4.261 8.383) 9.720 7.548 ( -1.584 2.743 -3.257) 4.543 7.747 ( 3.219 -5.575 -0.179) 6.440 8.218 ( -1.498 2.595 7.397) 7.981 8.389 ( -2.912 5.044 -2.433) 6.312 8.398 ( -0.928 1.607 4.283) 4.668 8.516 ( 0.279 -0.483 -1.094) 1.228 8.695 ( 1.949 -3.376 -6.412) 7.504 8.777 ( -3.228 5.591 -8.225) 10.456 8.855 ( -1.604 2.778 4.251) 5.326 9.045 ( 0.093 -0.161 10.085) 10.086 9.142 ( 1.043 -1.806 -4.558) 5.012 9.298 ( -2.499 4.328 -2.962) 5.809 9.399 ( 3.783 -6.553 -0.177) 7.569 9.530 ( -2.298 3.981 0.702) 4.650 9.607 ( -1.625 2.815 -6.066) 6.882 9.645 ( -1.329 2.303 -3.132) 4.109 9.906 ( -0.426 0.738 -0.354) 0.922 10.135 ( -1.023 1.771 4.405) 4.857 10.185 ( -2.730 4.729 1.198) 5.591 10.190 ( 0.816 -1.413 8.315) 8.474 10.422 ( -2.824 4.892 -0.643) 5.685 10.485 ( 5.717 -9.903 -0.035) 11.435 10.749 ( 7.155 -12.393 -0.662) 14.326 10.770 ( 3.054 -5.290 -0.528) 6.132 11.374 ( 2.613 -4.526 10.215) 11.474 12.080 ( 1.801 -3.120 8.785) 9.495 12.266 ( 0.529 -0.916 -12.512) 12.557 12.302 ( -2.158 3.737 -3.760) 5.724 12.729 ( -1.642 2.844 0.858) 3.394 12.839 ( -2.663 4.613 5.685) 7.790 12.861 ( -0.385 0.666 3.565) 3.647 13.069 ( -1.459 2.526 -2.579) 3.894 13.213 ( 0.705 -1.222 -0.994) 1.725 13.228 ( 0.749 -1.297 1.735) 2.292 13.274 ( 0.190 -0.330 -4.527) 4.543 13.319 ( 0.737 -1.276 -1.106) 1.843 13.729 ( -3.082 5.339 2.901) 6.813 13.867 ( 0.359 -0.622 4.041) 4.104 13.968 ( -0.566 0.981 -9.030) 9.101 14.151 ( 3.238 -5.608 -9.950) 11.871 14.271 ( -0.252 0.437 2.931) 2.974 14.359 ( -2.418 4.188 3.299) 5.854 14.478 ( -0.343 0.594 -3.907) 3.967 14.535 ( -1.417 2.455 0.750) 2.932 14.573 ( 1.041 -1.804 -1.575) 2.611 14.617 ( 1.562 -2.706 -1.173) 3.338 14.767 ( 2.180 -3.777 -2.098) 4.839 15.130 ( -2.401 4.159 -13.561) 14.386 15.210 ( -1.132 1.961 0.453) 2.310 15.470 ( 2.257 -3.909 -2.626) 5.222 15.499 ( -2.970 5.145 10.878) 12.395 15.911 ( 4.820 -8.348 5.583) 11.140 16.451 ( -1.748 3.027 8.595) 9.278 16.464 ( -1.155 2.000 3.087) 3.855 16.732 ( 2.091 -3.622 -1.428) 4.420 16.750 ( 1.688 -2.923 0.251) 3.385 17.439 ( -0.467 0.809 2.538) 2.705 17.524 ( -2.527 4.376 -3.703) 6.265 17.620 ( -0.661 1.144 -2.510) 2.836 17.690 ( 1.190 -2.062 -0.328) 2.404 19.754 ( -2.794 4.839 -0.161) 5.590 20.017 ( 1.779 -3.081 0.714) 3.628 ======================= Grid point 35 (14/58) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 8.644 14.972 0.566) 17.297 3.395 ( -0.275 -0.476 0.690) 0.882 3.529 ( -1.723 -2.984 8.802) 9.452 3.786 ( 8.370 14.498 -3.831) 17.173 3.969 ( -1.994 -3.454 -2.616) 4.770 4.144 ( -0.074 -0.128 -5.011) 5.013 4.754 ( -2.104 -3.644 -6.998) 8.166 4.891 ( 0.077 0.133 7.799) 7.800 5.433 ( 0.410 0.711 1.203) 1.456 5.488 ( -2.456 -4.254 3.357) 5.950 5.629 ( -2.296 -3.978 -0.013) 4.593 5.875 ( 1.365 2.364 -4.524) 5.284 5.888 ( -1.157 -2.004 -3.031) 3.813 6.020 ( -4.494 -7.783 -3.195) 9.538 6.404 ( 1.294 2.241 0.716) 2.685 6.472 ( -2.309 -3.999 3.900) 6.044 6.878 ( 1.171 2.029 -11.526) 11.762 6.884 ( 1.176 2.037 -4.737) 5.288 6.916 ( -0.705 -1.220 -3.192) 3.489 7.097 ( 3.389 5.871 8.079) 10.546 7.178 ( -1.411 -2.444 -0.284) 2.836 7.356 ( -1.827 -3.165 13.351) 13.842 7.580 ( 1.342 2.325 -2.696) 3.805 7.678 ( -2.518 -4.362 -0.787) 5.098 8.237 ( -0.209 -0.361 9.958) 9.967 8.411 ( 1.648 2.855 4.120) 5.276 8.476 ( 0.278 0.481 -1.249) 1.367 8.490 ( 0.053 0.091 -2.165) 2.167 8.662 ( 0.590 1.022 -7.625) 7.716 8.816 ( 4.855 8.409 -4.702) 10.788 8.980 ( -2.227 -3.857 3.558) 5.700 8.980 ( -1.811 -3.137 -3.081) 4.755 9.129 ( 3.256 5.639 4.541) 7.939 9.309 ( -4.151 -7.189 1.206) 8.389 9.397 ( -0.249 -0.431 -2.737) 2.782 9.454 ( -1.292 -2.237 -2.483) 3.583 9.633 ( 1.560 2.701 -7.794) 8.395 9.781 ( 3.240 5.612 -3.087) 7.178 9.898 ( -0.512 -0.886 0.373) 1.089 10.163 ( 2.179 3.774 6.710) 8.001 10.163 ( 1.309 2.267 5.468) 6.062 10.277 ( -0.032 -0.056 5.940) 5.940 10.349 ( -3.679 -6.373 -0.890) 7.412 10.457 ( -0.058 -0.101 3.709) 3.711 10.613 ( -2.603 -4.508 -4.288) 6.744 10.707 ( -3.108 -5.384 -1.487) 6.392 11.319 ( -1.116 -1.932 10.593) 10.825 12.046 ( -0.946 -1.639 10.597) 10.764 12.257 ( -0.710 -1.230 -14.226) 14.297 12.340 ( 0.492 0.852 -3.963) 4.083 12.781 ( 2.718 4.707 2.939) 6.179 12.850 ( 0.628 1.088 4.237) 4.419 12.885 ( -1.230 -2.130 5.136) 5.695 13.109 ( 1.355 2.347 -5.619) 6.238 13.199 ( -0.186 -0.322 -1.169) 1.227 13.209 ( -0.585 -1.014 2.735) 2.975 13.265 ( 0.553 0.957 -3.971) 4.122 13.305 ( -1.027 -1.780 -2.176) 2.993 13.791 ( 2.651 4.592 4.517) 6.966 13.863 ( -0.201 -0.347 4.437) 4.455 13.995 ( 0.937 1.622 -11.576) 11.727 14.060 ( -1.187 -2.055 -9.253) 9.553 14.270 ( 2.232 3.866 3.663) 5.774 14.430 ( 2.320 4.019 3.552) 5.844 14.458 ( 0.786 1.362 -4.117) 4.407 14.553 ( -3.971 -6.879 -1.576) 8.098 14.566 ( -3.120 -5.405 1.931) 6.533 14.624 ( 1.355 2.347 -2.967) 4.019 14.704 ( -1.444 -2.501 -3.085) 4.225 15.194 ( 0.348 0.602 -13.191) 13.209 15.212 ( 0.251 0.434 -8.997) 9.011 15.415 ( 3.145 5.448 5.952) 8.660 15.621 ( -0.270 -0.468 12.425) 12.436 15.759 ( -3.616 -6.263 7.221) 10.219 16.494 ( 1.260 2.183 0.763) 2.634 16.505 ( 0.430 0.745 6.614) 6.670 16.681 ( -1.799 -3.116 0.554) 3.640 16.701 ( -0.822 -1.424 1.028) 1.939 17.449 ( 1.169 2.025 2.050) 3.109 17.576 ( 1.183 2.049 -4.335) 4.939 17.635 ( 0.308 0.533 -0.995) 1.170 17.661 ( -0.781 -1.353 -1.543) 2.196 19.814 ( 3.976 6.886 0.308) 7.957 19.976 ( -3.345 -5.794 0.535) 6.712 ======================= Grid point 109 (15/58) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 0.000 0.000 42.293) 42.293 0.811 ( 0.000 -0.000 42.293) 42.293 1.331 ( -0.000 -0.000 69.424) 69.424 2.770 ( 0.000 -0.000 -20.094) 20.094 2.770 ( 0.000 -0.000 -20.094) 20.094 4.434 ( 0.000 -0.000 -24.659) 24.659 4.721 ( 0.000 0.000 4.880) 4.880 5.401 ( 0.000 -0.000 -20.285) 20.285 5.506 ( 0.000 0.000 9.550) 9.550 5.506 ( 0.000 -0.000 9.550) 9.550 6.110 ( 0.000 -0.000 -8.448) 8.448 6.110 ( 0.000 -0.000 -8.448) 8.448 6.512 ( 0.000 0.000 12.488) 12.488 6.512 ( 0.000 -0.000 12.488) 12.488 6.729 ( 0.000 -0.000 3.374) 3.374 6.729 ( 0.000 0.000 3.374) 3.374 7.006 ( 0.000 0.000 10.229) 10.229 7.026 ( 0.000 0.000 -6.023) 6.023 7.026 ( 0.000 0.000 -6.023) 6.023 7.280 ( 0.000 0.000 1.070) 1.070 7.280 ( 0.000 -0.000 1.070) 1.070 7.335 ( -0.000 -0.000 -1.753) 1.753 7.752 ( 0.000 0.000 6.310) 6.310 7.821 ( 0.000 -0.000 -5.505) 5.505 7.821 ( 0.000 0.000 -5.505) 5.505 8.224 ( 0.000 -0.000 -11.438) 11.438 8.224 ( 0.000 0.000 -11.438) 11.438 8.364 ( 0.000 0.000 -10.083) 10.083 8.609 ( 0.000 -0.000 7.750) 7.750 8.609 ( 0.000 0.000 7.750) 7.750 8.787 ( -0.000 0.000 0.973) 0.973 8.787 ( 0.000 0.000 0.973) 0.973 9.439 ( 0.000 0.000 12.030) 12.030 9.648 ( 0.000 -0.000 1.390) 1.390 9.648 ( 0.000 0.000 1.390) 1.390 9.859 ( 0.000 -0.000 -4.861) 4.861 9.859 ( 0.000 -0.000 -4.861) 4.861 9.913 ( 0.000 0.000 14.651) 14.651 10.061 ( 0.000 0.000 5.717) 5.717 10.061 ( 0.000 -0.000 5.717) 5.717 10.229 ( 0.000 0.000 -7.628) 7.628 10.322 ( 0.000 -0.000 -1.926) 1.926 10.322 ( 0.000 0.000 -1.926) 1.926 10.472 ( 0.000 -0.000 8.710) 8.710 10.586 ( 0.000 0.000 -5.936) 5.936 11.614 ( -0.000 -0.000 -11.629) 11.629 11.992 ( -0.000 -0.000 5.207) 5.207 12.337 ( 0.000 -0.000 0.862) 0.862 12.337 ( 0.000 0.000 0.862) 0.862 12.457 ( 0.000 0.000 -3.484) 3.484 12.457 ( 0.000 0.000 -3.484) 3.484 12.601 ( 0.000 0.000 2.806) 2.806 12.601 ( 0.000 0.000 2.806) 2.806 12.657 ( 0.000 -0.000 0.072) 0.072 12.657 ( 0.000 0.000 0.072) 0.072 12.722 ( 0.000 0.000 -25.018) 25.018 13.704 ( 0.000 0.000 2.431) 2.431 13.704 ( 0.000 0.000 2.431) 2.431 13.862 ( 0.000 -0.000 -0.466) 0.466 13.862 ( 0.000 0.000 -0.466) 0.466 13.967 ( 0.000 -0.000 29.939) 29.939 14.038 ( 0.000 -0.000 -0.403) 0.403 14.038 ( 0.000 -0.000 -0.403) 0.403 14.127 ( -0.000 0.000 -1.656) 1.656 14.127 ( 0.000 0.000 -1.656) 1.656 14.276 ( 0.000 0.000 0.186) 0.186 14.330 ( -0.000 0.000 0.194) 0.194 15.137 ( 0.000 -0.000 4.426) 4.426 15.137 ( 0.000 0.000 4.426) 4.426 15.424 ( 0.000 0.000 -6.686) 6.686 15.493 ( 0.000 -0.000 -4.240) 4.240 15.493 ( 0.000 -0.000 -4.240) 4.240 15.515 ( -0.000 -0.000 -8.280) 8.280 15.645 ( -0.000 0.000 -1.819) 1.819 16.074 ( 0.000 0.000 4.608) 4.608 16.143 ( -0.000 0.000 0.383) 0.383 16.841 ( 0.000 0.000 3.314) 3.314 16.841 ( 0.000 0.000 3.314) 3.314 17.094 ( -0.000 -0.000 -2.844) 2.844 17.094 ( 0.000 -0.000 -2.844) 2.844 17.440 ( -0.000 0.000 2.551) 2.551 17.603 ( 0.000 0.000 -1.499) 1.499 20.698 ( -0.000 0.000 1.005) 1.005 20.782 ( 0.000 0.000 -1.023) 1.023 ======================= Grid point 110 (16/58) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 26.008 9.892 21.290) 35.036 1.126 ( 24.593 0.143 34.649) 42.490 1.923 ( 34.699 29.817 48.659) 66.789 2.736 ( 0.178 3.247 -23.184) 23.411 2.910 ( 8.410 2.481 -16.454) 18.645 4.375 ( -4.746 -1.656 -18.888) 19.546 4.729 ( 1.447 0.621 5.306) 5.535 5.260 ( -7.753 -0.674 -5.903) 9.768 5.547 ( 6.343 -2.733 7.404) 10.125 5.760 ( 13.172 9.482 -4.411) 16.818 5.977 ( -11.135 2.326 -7.457) 13.602 6.214 ( 2.650 -6.368 -6.215) 9.284 6.428 ( -3.709 -5.913 13.158) 14.895 6.479 ( -4.749 -2.903 7.158) 9.067 6.704 ( -0.586 -0.888 2.265) 2.503 6.774 ( 0.066 1.779 4.786) 5.106 6.920 ( -3.099 -6.693 -4.240) 8.507 6.999 ( -1.264 0.367 2.545) 2.865 7.091 ( 0.750 4.627 -3.871) 6.079 7.233 ( -2.578 -0.401 -2.673) 3.735 7.287 ( 0.143 0.545 3.522) 3.567 7.346 ( 0.434 0.468 2.280) 2.367 7.666 ( -5.071 2.079 -6.089) 8.192 7.833 ( 7.032 -5.970 -0.728) 9.254 7.944 ( 4.142 3.602 2.325) 5.962 8.091 ( -11.310 -6.611 -10.612) 16.860 8.262 ( 3.090 2.632 -11.951) 12.622 8.338 ( -1.454 2.790 -6.973) 7.649 8.602 ( 0.079 1.458 6.060) 6.233 8.693 ( 4.613 1.869 7.886) 9.325 8.807 ( 4.505 -2.980 0.326) 5.412 9.108 ( 11.171 10.840 -12.673) 20.073 9.314 ( -4.905 -2.566 9.702) 11.170 9.598 ( -3.845 -1.614 0.849) 4.256 9.635 ( -2.185 -2.122 -1.655) 3.466 9.747 ( -1.830 -8.444 0.306) 8.645 9.873 ( -10.489 -3.429 0.239) 11.038 9.941 ( -1.948 6.534 -3.658) 7.737 10.027 ( 1.843 -0.149 2.828) 3.379 10.100 ( 2.364 -5.325 1.537) 6.025 10.198 ( -0.348 2.764 0.289) 2.801 10.329 ( 1.506 0.776 -0.230) 1.710 10.384 ( -4.744 -4.558 8.952) 11.109 10.537 ( 10.239 8.956 -3.695) 14.096 10.642 ( 2.648 1.535 -5.096) 5.945 11.174 ( -17.573 -8.306 8.137) 21.072 11.803 ( -11.487 -7.823 4.277) 14.542 12.326 ( 2.839 -3.705 -0.818) 4.739 12.418 ( -1.657 -0.866 -2.578) 3.184 12.456 ( 4.745 6.794 0.526) 8.303 12.465 ( -2.799 2.633 -2.320) 4.489 12.579 ( 0.686 -1.795 -2.565) 3.205 12.617 ( -1.171 -1.438 -14.427) 14.545 12.746 ( 1.657 6.517 -11.097) 12.976 12.850 ( 12.881 3.692 -0.513) 13.410 12.962 ( 13.134 4.105 -6.262) 15.119 13.556 ( -4.829 -4.547 10.183) 12.153 13.582 ( -9.187 -4.267 2.430) 10.417 13.751 ( -4.251 -6.644 -0.997) 7.950 13.867 ( -1.568 -1.077 2.977) 3.533 13.908 ( -6.987 5.719 -1.709) 9.189 14.041 ( -0.504 -4.025 1.896) 4.478 14.100 ( 2.089 1.208 -1.044) 2.629 14.131 ( 2.813 -1.739 -1.647) 3.695 14.351 ( 4.697 3.039 2.368) 6.075 14.370 ( 8.886 6.404 2.997) 11.356 14.545 ( 16.123 7.039 -2.090) 17.716 15.061 ( -4.789 -5.321 4.746) 8.589 15.097 ( -3.541 -1.223 1.778) 4.147 15.393 ( -2.842 -1.135 -2.503) 3.953 15.449 ( -1.638 -3.155 -8.484) 9.199 15.472 ( 2.364 3.753 -4.274) 6.159 15.510 ( -0.474 -1.819 -2.224) 2.911 15.661 ( -2.876 -1.242 -5.374) 6.220 16.160 ( 7.292 2.690 5.259) 9.385 16.369 ( 13.497 8.577 1.624) 16.074 16.801 ( -3.944 -0.098 2.057) 4.449 16.853 ( 1.459 -1.357 3.418) 3.956 17.084 ( -1.998 2.729 -6.407) 7.245 17.116 ( 1.332 2.938 -3.794) 4.980 17.508 ( 4.987 3.128 3.611) 6.906 17.625 ( 2.389 0.063 1.089) 2.627 19.989 ( -32.271 -17.150 38.293) 52.933 20.678 ( -8.167 -5.057 -2.739) 9.989 ======================= Grid point 111 (17/58) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 30.318 3.418 19.429) 36.172 1.694 ( 34.675 15.811 4.352) 38.358 2.839 ( 6.295 9.156 -18.014) 21.165 2.859 ( 34.936 27.643 28.480) 52.874 3.087 ( 8.576 2.564 -16.733) 18.977 4.277 ( -4.496 -0.619 -6.673) 8.070 4.780 ( 3.197 0.697 4.220) 5.340 5.134 ( -6.918 0.279 -3.060) 7.570 5.653 ( 7.287 -0.463 3.910) 8.283 5.791 ( -11.804 1.455 -3.099) 12.290 5.958 ( -0.564 -2.992 0.346) 3.064 6.154 ( -1.761 0.074 -4.027) 4.396 6.268 ( -4.706 -7.950 7.577) 11.948 6.391 ( 0.927 -2.650 6.616) 7.187 6.634 ( -5.820 -3.708 2.557) 7.359 6.687 ( -8.246 -2.912 4.011) 9.621 6.875 ( 3.856 -4.942 -2.241) 6.657 6.975 ( -2.787 0.981 -2.632) 3.957 7.104 ( 0.447 -3.748 -3.747) 5.318 7.208 ( -1.784 4.497 -1.485) 5.061 7.286 ( -1.602 1.209 2.792) 3.438 7.380 ( 2.729 0.996 1.402) 3.225 7.651 ( -0.395 2.959 -7.984) 8.524 7.752 ( -14.487 -6.166 -4.185) 16.291 7.954 ( 8.400 -3.863 -0.633) 9.267 8.047 ( 5.147 2.081 5.156) 7.577 8.327 ( -1.525 3.833 -7.266) 8.356 8.385 ( 4.116 3.442 -9.808) 11.180 8.606 ( -2.738 3.210 5.508) 6.938 8.745 ( 0.115 0.174 0.814) 0.840 8.895 ( 6.972 -3.300 2.915) 8.246 9.096 ( -5.746 -0.811 0.527) 5.827 9.399 ( 1.586 1.811 -3.570) 4.306 9.519 ( -3.531 -1.686 0.470) 3.941 9.541 ( -4.076 -3.842 -0.070) 5.601 9.611 ( -3.326 -6.587 -0.133) 7.380 9.683 ( -5.519 -3.617 -2.933) 7.221 9.934 ( -2.703 1.619 -4.656) 5.622 10.001 ( -4.456 -0.651 10.584) 11.502 10.055 ( 0.619 -2.761 3.760) 4.706 10.192 ( -3.066 3.186 -2.000) 4.853 10.236 ( -3.912 -5.483 2.307) 7.120 10.405 ( 4.262 -0.434 5.008) 6.590 10.528 ( -9.336 -4.602 -3.188) 10.887 10.840 ( 9.400 12.586 -2.854) 15.966 11.071 ( 3.180 1.799 -1.166) 3.835 11.556 ( -8.238 -6.383 4.586) 11.386 12.330 ( 0.548 -3.484 -1.794) 3.957 12.356 ( -3.086 -2.019 -0.980) 3.815 12.401 ( -4.761 -1.835 -12.513) 13.513 12.554 ( 1.739 -3.518 -4.918) 6.291 12.594 ( 1.253 3.702 -6.784) 7.829 12.641 ( 2.046 5.799 2.966) 6.827 12.891 ( 5.049 10.119 -6.390) 12.989 13.053 ( 7.938 -0.398 -0.684) 7.977 13.132 ( 5.583 -0.012 -2.789) 6.241 13.379 ( -7.455 -2.909 2.719) 8.452 13.473 ( -2.000 -2.934 5.008) 6.139 13.603 ( -4.456 -3.976 0.842) 6.031 13.827 ( -5.109 4.143 0.381) 6.588 13.870 ( 1.437 -3.405 2.786) 4.628 13.999 ( -0.028 -2.735 3.334) 4.312 14.148 ( 1.353 3.684 -4.753) 6.164 14.195 ( 5.148 -1.175 -1.355) 5.451 14.443 ( 2.279 2.309 4.186) 5.296 14.507 ( 3.060 2.142 0.775) 3.814 14.799 ( 7.916 1.515 1.369) 8.175 14.911 ( -3.149 -7.854 3.263) 9.069 15.021 ( -3.591 -0.667 -1.177) 3.837 15.354 ( -3.392 -0.379 -0.075) 3.413 15.389 ( 0.578 -5.024 -7.167) 8.772 15.447 ( -5.785 -2.812 -2.462) 6.888 15.541 ( -4.574 -1.471 -0.604) 4.843 15.618 ( 6.825 6.130 -2.386) 9.479 16.337 ( 9.756 1.401 4.643) 10.895 16.609 ( 5.767 3.565 7.040) 9.774 16.706 ( -5.971 -0.702 3.353) 6.884 16.864 ( 1.504 -1.661 4.026) 4.608 17.076 ( -4.309 8.198 -10.958) 14.347 17.227 ( 5.176 6.445 -8.366) 11.761 17.625 ( 4.124 2.417 4.945) 6.878 17.680 ( 4.405 -1.265 5.813) 7.402 19.574 ( -8.196 -3.243 22.845) 24.487 20.447 ( -10.254 -6.719 -5.788) 13.557 ======================= Grid point 112 (18/58) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 24.361 7.393 12.976) 28.574 2.470 ( 34.923 15.035 -3.380) 38.172 3.017 ( 4.315 7.228 -11.073) 13.910 3.252 ( 7.798 4.409 -20.556) 22.423 3.672 ( 27.469 19.207 17.401) 37.766 4.207 ( -3.557 -0.762 4.313) 5.642 4.829 ( 1.931 -1.448 2.490) 3.468 5.022 ( -6.479 0.347 -1.550) 6.671 5.636 ( -5.974 0.992 2.307) 6.481 5.761 ( 4.676 -1.098 -2.281) 5.317 5.846 ( -5.216 -2.078 1.512) 5.814 6.045 ( -6.238 1.809 4.917) 8.147 6.160 ( 1.689 -9.803 1.474) 10.056 6.399 ( -4.521 -2.272 2.285) 5.552 6.465 ( -7.460 -3.931 1.896) 8.643 6.514 ( -8.882 -0.009 5.615) 10.508 6.851 ( 3.491 -10.131 -2.615) 11.030 6.935 ( -5.722 3.358 -0.737) 6.675 7.117 ( 9.219 -9.039 -2.788) 13.208 7.229 ( -3.552 2.909 -2.556) 5.254 7.251 ( -2.316 3.038 3.590) 5.242 7.410 ( -6.454 -1.640 -1.204) 6.767 7.480 ( -5.335 1.788 0.036) 5.626 7.707 ( 3.184 3.184 -7.418) 8.678 8.084 ( 9.095 -2.195 1.097) 9.420 8.174 ( 5.952 2.708 2.970) 7.182 8.320 ( -3.479 2.500 -1.799) 4.647 8.454 ( 1.456 -1.015 -5.575) 5.851 8.602 ( -0.841 5.252 2.194) 5.753 8.733 ( -0.177 -1.630 -6.228) 6.440 8.909 ( 0.718 -3.840 -0.994) 4.031 9.037 ( -4.690 2.728 -3.860) 6.659 9.340 ( -7.453 -1.391 0.756) 7.619 9.352 ( -4.907 -7.088 2.768) 9.054 9.432 ( -3.801 -3.804 7.120) 8.923 9.578 ( 1.052 -2.113 3.662) 4.356 9.620 ( 0.723 -1.640 -1.571) 2.383 9.834 ( -6.084 -3.058 2.903) 7.402 9.998 ( 2.443 1.841 -1.239) 3.300 10.062 ( -0.911 -1.937 7.125) 7.440 10.122 ( -3.872 1.317 -1.756) 4.451 10.217 ( 0.995 3.048 -4.970) 5.914 10.315 ( -7.205 -2.944 -4.009) 8.755 10.484 ( 4.330 -1.283 4.354) 6.274 11.054 ( 1.531 5.076 -2.474) 5.851 11.158 ( 2.143 5.966 -4.510) 7.780 11.392 ( -3.818 -3.889 5.591) 7.808 12.261 ( -5.555 -4.092 -18.475) 19.721 12.272 ( -4.768 -1.054 -1.066) 4.998 12.284 ( -1.098 -5.916 -0.429) 6.032 12.574 ( 1.905 1.663 -0.253) 2.541 12.661 ( 2.619 2.092 -1.831) 3.819 12.730 ( 2.089 4.363 3.060) 5.724 13.018 ( -0.505 2.794 -5.246) 5.965 13.161 ( 5.895 1.124 -0.620) 6.034 13.184 ( 3.174 -1.513 -0.711) 3.587 13.310 ( -0.670 1.344 1.836) 2.372 13.410 ( -2.273 -1.907 1.524) 3.335 13.555 ( 0.589 -0.203 0.396) 0.738 13.764 ( -3.654 1.883 0.498) 4.141 13.919 ( 4.849 0.066 3.748) 6.129 13.998 ( 2.914 -1.485 4.045) 5.202 14.210 ( 1.509 2.866 -5.502) 6.385 14.265 ( 3.419 -0.460 -2.941) 4.534 14.453 ( -1.318 -2.301 2.834) 3.881 14.550 ( 1.057 1.584 2.852) 3.429 14.780 ( -3.135 -2.209 1.589) 4.151 14.933 ( 6.352 -4.444 2.658) 8.195 14.952 ( -3.025 -2.053 -0.267) 3.666 15.196 ( -11.210 -8.168 -1.484) 13.950 15.263 ( -6.399 -1.606 -0.361) 6.607 15.395 ( 3.300 -2.384 -3.505) 5.372 15.532 ( -0.213 3.125 1.753) 3.589 15.807 ( 6.784 6.255 -3.117) 9.740 16.460 ( 2.096 -2.977 1.339) 3.879 16.612 ( -3.142 2.999 4.684) 6.388 16.667 ( -1.002 2.648 3.876) 4.800 16.863 ( 0.145 -1.445 3.203) 3.517 17.139 ( 2.707 7.365 -4.871) 9.235 17.380 ( 4.207 6.023 -8.073) 10.916 17.678 ( 1.185 -0.942 5.994) 6.183 17.738 ( 3.198 -1.239 6.434) 7.291 19.524 ( 1.391 1.451 9.620) 9.828 20.226 ( -8.002 -5.217 -7.324) 12.037 ======================= Grid point 113 (19/58) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 17.778 8.050 5.883) 20.383 3.059 ( -2.894 1.315 -5.610) 6.448 3.159 ( 26.078 11.535 -5.796) 29.098 3.463 ( 9.092 6.551 -15.023) 18.743 4.060 ( -3.088 -1.921 7.881) 8.679 4.181 ( 8.036 4.677 7.358) 11.857 4.803 ( -1.081 -4.355 0.763) 4.551 4.916 ( -5.887 0.321 -0.661) 5.933 5.617 ( 0.490 2.292 6.171) 6.601 5.760 ( 0.515 -1.929 -0.521) 2.064 5.791 ( -2.090 1.378 0.223) 2.513 6.057 ( 0.589 4.391 2.373) 5.026 6.148 ( 5.880 -7.467 -5.136) 10.803 6.215 ( -7.352 -3.573 4.916) 9.539 6.318 ( -3.696 -4.824 1.376) 6.231 6.406 ( -7.933 6.360 4.166) 10.988 6.809 ( 0.980 -6.875 1.350) 7.074 6.862 ( -3.226 1.853 2.535) 4.502 7.080 ( -3.528 -9.350 -3.167) 10.484 7.191 ( -3.226 -0.650 -1.818) 3.760 7.269 ( -0.620 0.925 2.746) 2.963 7.286 ( 0.052 2.922 2.025) 3.556 7.491 ( 0.836 -0.990 -0.660) 1.455 7.819 ( 3.572 4.608 -7.149) 9.225 8.179 ( -0.298 -2.028 1.979) 2.850 8.249 ( 2.427 2.812 2.188) 4.311 8.298 ( 1.538 1.989 1.729) 3.051 8.486 ( 2.632 0.738 -1.478) 3.107 8.630 ( 1.248 -2.994 -3.904) 5.076 8.719 ( -2.285 1.042 -7.393) 7.808 8.859 ( -2.067 -1.061 -2.187) 3.191 9.013 ( -2.493 2.892 -8.108) 8.962 9.135 ( -5.549 -1.397 2.848) 6.392 9.283 ( -0.945 -6.840 1.105) 6.993 9.351 ( -2.319 -1.239 10.368) 10.696 9.596 ( 3.031 -1.266 5.894) 6.747 9.656 ( 2.276 2.139 4.648) 5.600 9.723 ( -2.205 -3.903 2.250) 5.016 9.940 ( -6.655 -2.843 3.602) 8.083 10.039 ( -0.869 1.724 -7.034) 7.294 10.131 ( 1.045 -0.118 1.847) 2.126 10.166 ( -3.555 0.544 -1.503) 3.898 10.344 ( 3.135 4.557 -3.837) 6.732 10.538 ( 2.938 -0.658 -1.723) 3.469 11.035 ( -2.520 -1.817 0.525) 3.151 11.146 ( -5.112 -0.463 -2.176) 5.575 11.412 ( 0.843 7.490 0.012) 7.538 12.123 ( -1.800 -7.625 -19.540) 21.053 12.199 ( -1.634 -3.078 1.654) 3.858 12.224 ( -2.972 1.111 0.851) 3.285 12.630 ( 1.085 3.496 2.006) 4.174 12.717 ( 2.787 -0.827 -1.591) 3.314 12.792 ( 0.170 3.928 2.134) 4.473 13.003 ( -0.946 -0.333 -3.530) 3.669 13.216 ( 1.481 -0.893 -0.279) 1.752 13.243 ( 2.573 0.150 0.342) 2.600 13.334 ( 0.599 1.550 1.796) 2.446 13.367 ( -0.974 -0.492 1.221) 1.637 13.561 ( -0.019 -1.062 -0.516) 1.181 13.793 ( 2.283 5.558 -2.581) 6.539 13.988 ( 3.462 -1.417 4.435) 5.802 14.099 ( 8.008 1.607 2.291) 8.483 14.241 ( 1.473 -2.665 -6.824) 7.473 14.283 ( -1.132 1.098 -2.523) 2.975 14.418 ( 1.780 -2.675 2.511) 4.077 14.575 ( -0.886 1.977 2.622) 3.401 14.711 ( -3.878 -1.260 3.197) 5.181 14.846 ( -5.939 -4.377 2.187) 7.695 14.894 ( -5.105 -6.490 -2.165) 8.536 15.026 ( 4.048 -6.030 2.534) 7.693 15.157 ( -5.231 0.723 -0.690) 5.326 15.448 ( 3.075 1.106 0.706) 3.343 15.551 ( -0.768 1.454 -0.968) 1.908 15.950 ( 4.350 2.301 -3.504) 6.041 16.413 ( -2.777 1.569 2.343) 3.958 16.538 ( -8.773 4.141 -1.886) 9.882 16.751 ( 5.306 1.425 4.738) 7.255 16.850 ( 0.304 -1.829 3.005) 3.531 17.283 ( 5.898 4.890 -0.115) 7.663 17.461 ( 0.220 1.553 -3.869) 4.175 17.661 ( -0.425 -2.577 5.522) 6.108 17.766 ( 1.113 -0.192 4.177) 4.327 19.598 ( 3.813 2.009 3.194) 5.364 20.072 ( -5.077 -2.780 -7.038) 9.113 ======================= Grid point 114 (20/58) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( -0.083 0.143 1.046) 1.059 2.964 ( -0.812 1.407 -2.780) 3.220 3.489 ( -0.248 0.429 -8.037) 8.052 3.644 ( 1.558 -2.699 -11.914) 12.315 3.913 ( -0.484 0.838 11.247) 11.288 4.290 ( 0.622 -1.078 2.615) 2.896 4.757 ( 2.054 -3.557 0.284) 4.117 4.858 ( -1.662 2.879 -0.052) 3.325 5.638 ( -2.258 3.911 5.825) 7.371 5.771 ( -1.431 2.478 0.931) 3.009 5.796 ( 3.427 -5.935 7.220) 9.955 6.001 ( -0.945 1.637 -1.107) 2.191 6.156 ( 0.828 -1.434 -3.494) 3.867 6.212 ( 6.207 -10.750 -0.340) 12.418 6.309 ( -2.600 4.504 -0.123) 5.202 6.322 ( -5.465 9.466 0.507) 10.943 6.774 ( 2.085 -3.611 3.403) 5.382 6.904 ( -0.968 1.677 1.108) 2.231 6.937 ( 2.383 -4.127 1.640) 5.040 7.134 ( -1.975 3.420 -3.135) 5.042 7.278 ( -3.624 6.278 4.081) 8.319 7.318 ( 4.029 -6.978 4.094) 9.038 7.487 ( 2.055 -3.560 -1.078) 4.250 7.870 ( -2.079 3.601 -7.949) 8.971 8.145 ( -0.510 0.884 6.831) 6.907 8.304 ( 0.395 -0.685 0.993) 1.269 8.343 ( -1.139 1.973 -1.179) 2.565 8.523 ( 0.127 -0.220 0.213) 0.332 8.617 ( 2.391 -4.142 -5.912) 7.605 8.662 ( -0.469 0.813 -6.619) 6.685 8.875 ( -0.806 1.395 0.642) 1.734 8.949 ( -2.084 3.610 -6.016) 7.320 9.167 ( 2.214 -3.834 -3.645) 5.735 9.193 ( 0.541 -0.937 -0.669) 1.272 9.327 ( 0.105 -0.181 11.785) 11.787 9.633 ( 1.366 -2.366 8.096) 8.545 9.662 ( 0.996 -1.726 3.411) 3.950 9.716 ( -1.243 2.154 8.033) 8.409 9.850 ( 0.587 -1.017 -1.259) 1.722 10.025 ( -1.405 2.433 -6.887) 7.438 10.140 ( 0.311 -0.539 3.650) 3.703 10.149 ( -1.402 2.428 -4.007) 4.890 10.399 ( -0.249 0.431 1.605) 1.680 10.563 ( 0.170 -0.294 -8.113) 8.120 10.995 ( 0.334 -0.578 1.551) 1.688 11.088 ( -0.657 1.138 -1.190) 1.773 11.463 ( -4.164 7.212 -2.084) 8.585 12.068 ( 3.676 -6.366 -18.438) 19.850 12.167 ( 1.234 -2.137 2.207) 3.310 12.204 ( -1.764 3.055 0.859) 3.631 12.662 ( -1.935 3.352 3.371) 5.133 12.735 ( 1.798 -3.115 -1.966) 4.099 12.814 ( -1.714 2.969 1.304) 3.668 12.993 ( 0.029 -0.050 -3.520) 3.521 13.218 ( 0.080 -0.138 0.032) 0.162 13.271 ( -0.198 0.343 0.346) 0.526 13.341 ( 0.556 -0.964 3.243) 3.429 13.362 ( 0.042 -0.073 1.324) 1.327 13.552 ( 0.755 -1.308 -0.708) 1.668 13.862 ( -2.074 3.592 -5.290) 6.723 14.013 ( 1.030 -1.785 5.462) 5.838 14.189 ( 5.543 -9.601 -5.899) 12.558 14.255 ( -0.874 1.514 -1.618) 2.382 14.282 ( -1.201 2.081 -0.783) 2.527 14.426 ( 1.539 -2.666 2.948) 4.262 14.585 ( -2.596 4.496 2.826) 5.911 14.603 ( 1.080 -1.871 0.397) 2.196 14.762 ( -0.304 0.526 6.954) 6.981 14.827 ( 1.454 -2.519 -4.715) 5.540 15.041 ( 5.006 -8.670 3.262) 10.529 15.111 ( -2.530 4.383 -1.404) 5.252 15.497 ( -2.495 4.322 11.716) 12.735 15.538 ( 1.497 -2.593 -10.864) 11.269 15.997 ( 1.028 -1.781 -3.150) 3.762 16.437 ( -1.170 2.026 0.046) 2.340 16.438 ( -5.906 10.230 -0.700) 11.834 16.818 ( 1.047 -1.814 4.306) 4.789 16.835 ( 0.947 -1.639 3.039) 3.580 17.411 ( 0.968 -1.676 1.064) 2.209 17.420 ( -1.190 2.061 -1.244) 2.686 17.640 ( 1.215 -2.105 5.087) 5.638 17.775 ( -0.301 0.522 2.245) 2.324 19.651 ( 0.298 -0.517 1.038) 1.197 20.009 ( -0.302 0.523 -6.468) 6.496 ======================= Grid point 121 (21/58) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 14.646 25.368 15.220) 33.011 1.466 ( 16.187 28.037 12.972) 34.876 2.686 ( 23.862 41.329 35.037) 59.203 2.859 ( 5.037 8.724 -25.259) 27.194 3.003 ( 3.803 6.587 -10.583) 13.033 4.320 ( -2.002 -3.468 -10.736) 11.458 4.757 ( 1.149 1.990 4.116) 4.715 5.215 ( -2.220 -3.846 -2.454) 5.074 5.559 ( 2.281 3.951 2.428) 5.168 5.937 ( 1.157 2.004 1.329) 2.669 5.959 ( -2.878 -4.986 -4.180) 7.115 6.126 ( -0.429 -0.743 -7.942) 7.988 6.272 ( -3.093 -5.358 11.522) 13.078 6.343 ( -4.707 -8.153 6.515) 11.449 6.673 ( -1.604 -2.779 4.443) 5.480 6.760 ( -2.729 -4.726 0.753) 5.509 6.787 ( -3.204 -5.550 -4.091) 7.603 7.026 ( 1.341 2.323 1.514) 3.080 7.096 ( -2.382 -4.125 -3.732) 6.051 7.268 ( 1.158 2.006 -1.718) 2.884 7.280 ( -0.587 -1.018 2.329) 2.609 7.362 ( 0.939 1.626 2.101) 2.817 7.699 ( -0.583 -1.010 -5.036) 5.169 7.782 ( 1.884 3.263 -4.116) 5.580 7.902 ( -5.914 -10.243 -8.158) 14.368 8.000 ( 1.776 3.076 5.558) 6.596 8.352 ( 2.841 4.922 -11.559) 12.881 8.381 ( 0.740 1.282 -3.246) 3.568 8.693 ( 3.143 5.445 7.235) 9.585 8.739 ( 1.789 3.098 5.773) 6.792 8.753 ( -1.488 -2.577 -2.862) 4.129 9.149 ( -3.396 -5.882 2.191) 7.137 9.389 ( 4.131 7.154 -3.574) 9.001 9.530 ( -2.130 -3.689 -1.239) 4.436 9.575 ( -1.979 -3.427 -2.914) 4.914 9.605 ( -3.944 -6.831 1.207) 7.980 9.748 ( -3.882 -6.723 -5.116) 9.297 9.965 ( -0.952 -1.650 3.851) 4.296 10.003 ( -2.121 -3.673 4.057) 5.869 10.074 ( 1.333 2.309 -8.055) 8.485 10.164 ( -4.887 -8.464 10.650) 14.455 10.293 ( -0.153 -0.265 2.992) 3.008 10.348 ( 0.731 1.267 1.863) 2.369 10.595 ( -4.322 -7.486 -2.532) 9.008 10.825 ( 9.647 16.709 -0.242) 19.295 11.058 ( -0.316 -0.548 0.492) 0.801 11.595 ( -6.371 -11.035 4.107) 13.388 12.276 ( -1.191 -2.062 -3.351) 4.111 12.417 ( 0.271 0.469 -1.852) 1.929 12.450 ( -1.980 -3.430 -0.630) 4.010 12.495 ( -3.340 -5.785 -19.445) 20.560 12.558 ( 2.596 4.497 -0.605) 5.228 12.750 ( 6.539 11.325 4.690) 13.893 12.826 ( 1.641 2.842 -9.383) 9.940 12.999 ( 4.272 7.399 -2.613) 8.934 13.057 ( 2.707 4.688 -3.600) 6.501 13.444 ( -4.405 -7.630 3.401) 9.444 13.469 ( -1.961 -3.397 5.647) 6.876 13.629 ( -3.353 -5.808 -0.527) 6.728 13.827 ( -1.153 -1.998 4.881) 5.399 13.916 ( -1.626 -2.817 3.041) 4.453 14.002 ( -0.812 -1.406 -4.825) 5.091 14.117 ( 1.040 1.801 3.399) 3.985 14.155 ( 2.323 4.024 -5.584) 7.265 14.436 ( 2.529 4.381 4.220) 6.588 14.491 ( 2.321 4.020 0.357) 4.655 14.705 ( 3.937 6.819 2.619) 8.298 14.915 ( -4.119 -7.134 0.300) 8.244 15.041 ( -2.301 -3.985 -0.188) 4.606 15.341 ( -3.163 -5.478 -4.422) 7.718 15.448 ( -1.649 -2.857 -0.437) 3.327 15.467 ( 1.717 2.974 -0.438) 3.462 15.556 ( 2.692 4.663 -4.507) 7.022 15.577 ( -2.938 -5.089 -2.976) 6.587 16.254 ( 3.563 6.171 2.968) 7.719 16.567 ( 5.105 8.842 7.236) 12.514 16.770 ( -2.002 -3.468 3.326) 5.206 16.827 ( -0.302 -0.524 2.062) 2.149 17.189 ( 2.362 4.090 -4.040) 6.215 17.205 ( 4.610 7.985 -14.057) 16.811 17.602 ( 2.965 5.135 4.853) 7.663 17.621 ( -0.226 -0.391 6.061) 6.078 19.651 ( -6.804 -11.785 28.549) 31.626 20.506 ( -6.310 -10.930 -5.431) 13.739 ======================= Grid point 122 (22/58) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 21.046 22.190 9.534) 32.035 2.115 ( 26.688 25.131 -0.779) 36.666 3.054 ( 3.560 12.523 -16.288) 20.852 3.160 ( 8.019 5.136 -13.438) 16.470 3.464 ( 23.107 28.738 21.954) 42.916 4.249 ( -2.788 -2.319 -0.198) 3.632 4.797 ( 1.349 0.758 1.834) 2.399 5.121 ( -4.967 -1.964 0.619) 5.376 5.659 ( 4.677 1.003 -2.914) 5.600 5.776 ( -9.896 -4.302 5.958) 12.326 5.878 ( -2.403 -3.719 2.214) 4.950 6.023 ( -0.414 -12.838 -1.234) 12.904 6.179 ( -6.771 0.591 6.386) 9.326 6.395 ( 6.066 4.171 0.062) 7.362 6.560 ( -7.458 -5.495 4.587) 10.337 6.594 ( -4.505 -8.556 -0.650) 9.692 6.728 ( 0.725 -5.268 -2.908) 6.060 6.969 ( -3.460 -6.282 -1.986) 7.442 7.067 ( -2.282 4.014 -1.833) 4.968 7.238 ( -0.871 -4.769 0.701) 4.899 7.278 ( 0.114 -0.655 1.678) 1.804 7.421 ( 1.937 2.875 0.593) 3.517 7.663 ( -9.223 -2.576 -2.801) 9.977 7.692 ( 0.158 0.214 -6.407) 6.412 7.939 ( 7.049 4.612 -4.163) 9.396 8.102 ( 5.977 4.048 6.331) 9.601 8.394 ( -1.213 2.060 -1.005) 2.593 8.415 ( 1.476 -0.578 -6.588) 6.776 8.687 ( -1.714 -2.763 -5.908) 6.743 8.727 ( -3.038 4.156 2.421) 5.688 8.844 ( 4.152 -0.663 2.096) 4.698 9.059 ( 0.275 -2.483 2.363) 3.439 9.389 ( -6.963 -0.514 -1.610) 7.165 9.473 ( -4.784 -3.430 1.600) 6.100 9.490 ( -0.982 -1.081 -0.251) 1.482 9.529 ( 0.442 -4.412 -0.150) 4.437 9.618 ( -5.390 -1.985 -0.412) 5.759 9.911 ( -6.361 -4.836 1.996) 8.236 9.978 ( 3.034 -1.375 2.315) 4.057 9.988 ( 0.423 -3.014 4.042) 5.060 10.165 ( 4.288 2.814 -6.673) 8.417 10.270 ( -4.659 2.836 2.661) 6.069 10.387 ( -2.327 -6.885 -1.427) 7.407 10.409 ( -1.158 -1.262 4.187) 4.524 11.064 ( 0.033 0.420 -2.231) 2.270 11.155 ( 8.069 12.642 -1.349) 15.058 11.391 ( -4.810 -9.532 6.270) 12.382 12.210 ( -2.584 -5.876 -10.292) 12.130 12.340 ( -5.048 -3.932 -7.013) 9.494 12.363 ( -3.728 -2.329 -5.212) 6.818 12.492 ( 4.763 -0.018 -2.788) 5.519 12.666 ( 3.597 5.051 0.803) 6.253 12.812 ( -4.359 7.750 -1.250) 8.979 13.025 ( 10.819 3.336 1.374) 11.405 13.058 ( -1.321 0.788 -4.460) 4.718 13.131 ( 2.403 0.166 -2.759) 3.663 13.345 ( -1.842 0.070 2.974) 3.499 13.416 ( -1.136 -2.568 1.902) 3.391 13.552 ( -0.740 -0.818 -0.072) 1.105 13.812 ( 0.228 -1.277 5.734) 5.879 13.873 ( -0.398 0.070 1.811) 1.856 13.962 ( -0.850 -1.460 -2.791) 3.262 14.169 ( 2.825 0.476 2.415) 3.747 14.252 ( 2.735 5.515 -6.054) 8.634 14.483 ( -2.419 0.882 4.098) 4.840 14.535 ( 2.359 0.568 2.445) 3.445 14.753 ( 0.920 -5.636 2.573) 6.263 14.860 ( 0.300 2.779 -1.985) 3.429 14.957 ( -2.209 -4.958 -1.304) 5.583 15.240 ( -1.344 -8.309 -3.426) 9.087 15.333 ( -6.795 -6.806 0.704) 9.643 15.371 ( -4.425 -1.436 0.357) 4.666 15.598 ( -1.204 7.415 0.305) 7.518 15.719 ( 9.419 3.879 -1.427) 10.286 16.374 ( 4.459 1.855 -1.165) 4.968 16.685 ( -0.958 2.545 4.980) 5.674 16.700 ( -0.695 0.941 3.648) 3.831 16.827 ( 1.281 -1.708 4.541) 5.018 17.242 ( -2.571 7.773 -5.422) 9.819 17.372 ( 4.692 6.812 -12.224) 14.759 17.624 ( 2.447 -2.315 10.630) 11.151 17.683 ( 2.220 1.320 5.401) 5.987 19.536 ( -0.991 0.027 14.071) 14.106 20.289 ( -6.771 -8.202 -7.506) 13.017 ======================= Grid point 123 (23/58) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 16.698 20.304 6.103) 26.987 2.829 ( 27.924 20.276 -5.708) 34.978 3.167 ( -2.550 7.499 -5.020) 9.378 3.385 ( 8.925 8.616 -16.705) 20.808 3.990 ( 12.906 10.969 9.767) 19.552 4.166 ( -3.406 -3.226 7.112) 8.520 4.795 ( -1.385 -2.098 -0.945) 2.686 5.015 ( -5.354 -0.932 1.876) 5.749 5.615 ( -1.642 -2.945 5.983) 6.868 5.705 ( 0.503 -3.835 -2.918) 4.845 5.808 ( -0.992 -3.937 2.705) 4.878 5.955 ( 5.299 -8.695 -3.328) 10.712 6.130 ( -3.141 5.160 4.043) 7.269 6.326 ( -9.948 -6.156 5.944) 13.122 6.356 ( -5.063 -4.406 2.634) 7.210 6.563 ( -1.454 2.813 2.489) 4.028 6.700 ( 1.831 -2.814 -1.556) 3.700 6.896 ( 4.403 -11.327 -3.699) 12.703 7.016 ( -7.395 3.884 -0.595) 8.374 7.151 ( -0.161 -7.121 -0.376) 7.132 7.263 ( -0.615 -4.855 0.850) 4.967 7.440 ( -3.429 4.673 0.907) 5.867 7.530 ( -5.438 2.404 -0.765) 5.994 7.755 ( 5.500 1.094 -5.046) 7.543 8.114 ( 6.614 5.814 -1.500) 8.933 8.257 ( 5.040 5.668 4.423) 8.780 8.344 ( -4.230 -0.643 1.680) 4.597 8.453 ( 2.708 1.595 -2.401) 3.955 8.620 ( -2.868 -2.772 -5.812) 7.049 8.711 ( 0.255 -2.625 -2.989) 3.986 8.870 ( -0.065 2.005 -2.883) 3.513 9.073 ( 0.378 -0.397 -3.058) 3.107 9.260 ( -7.916 -0.024 1.654) 8.087 9.312 ( -8.144 -1.264 1.783) 8.432 9.423 ( -5.528 0.927 6.448) 8.544 9.523 ( 3.077 -2.028 5.063) 6.263 9.603 ( 4.102 -0.770 -0.931) 4.276 9.745 ( -5.146 -4.580 3.364) 7.666 9.983 ( 0.241 -5.288 4.526) 6.964 10.059 ( 1.637 4.583 -4.986) 6.968 10.142 ( -4.112 -0.850 -0.966) 4.308 10.255 ( -4.659 1.139 1.031) 4.906 10.322 ( 4.465 3.926 -7.443) 9.526 10.460 ( 3.845 -0.951 4.460) 5.965 11.011 ( -1.346 -7.070 -1.010) 7.268 11.161 ( -4.020 -10.578 -0.833) 11.347 11.434 ( 5.250 8.591 5.891) 11.665 12.080 ( -3.480 -7.786 -19.340) 21.137 12.227 ( -3.770 -2.151 -3.761) 5.743 12.293 ( -2.824 -0.917 1.440) 3.300 12.591 ( 4.792 2.224 -2.119) 5.692 12.756 ( -0.575 6.318 1.621) 6.548 12.828 ( -0.639 4.764 1.166) 4.946 13.019 ( -1.425 -1.186 -3.015) 3.539 13.158 ( 3.006 -0.165 -1.759) 3.487 13.193 ( 4.205 0.716 0.591) 4.306 13.345 ( -0.090 1.052 1.188) 1.589 13.377 ( -1.082 -1.501 1.735) 2.536 13.570 ( 0.230 2.090 -2.101) 2.973 13.811 ( 0.948 3.564 1.651) 4.041 13.910 ( 3.432 -1.540 1.868) 4.200 13.975 ( 4.768 -2.058 -1.439) 5.389 14.211 ( 1.171 1.390 1.417) 2.304 14.339 ( 0.182 5.309 -4.835) 7.183 14.403 ( -3.443 -1.675 1.934) 4.289 14.586 ( 1.771 0.805 3.495) 4.000 14.707 ( 0.113 -5.510 2.655) 6.117 14.858 ( -2.700 -5.419 -2.223) 6.450 14.876 ( -0.309 -2.235 0.366) 2.285 15.035 ( -9.423 -6.469 -0.505) 11.441 15.252 ( -1.597 -2.658 -0.824) 3.209 15.335 ( 3.481 -0.825 -0.553) 3.620 15.633 ( -3.085 6.355 3.315) 7.804 15.898 ( 6.322 2.993 -2.191) 7.329 16.420 ( 1.325 -0.950 -0.376) 1.673 16.685 ( -1.788 3.323 0.502) 3.807 16.708 ( -0.213 0.983 2.869) 3.040 16.817 ( 0.107 -3.041 4.920) 5.785 17.290 ( 0.120 7.392 -1.624) 7.570 17.475 ( 1.435 2.511 -6.443) 7.062 17.639 ( 0.561 -1.552 7.163) 7.350 17.720 ( 2.774 -0.865 5.394) 6.127 19.576 ( 2.343 3.853 5.328) 6.980 20.123 ( -4.966 -4.786 -7.335) 10.068 ======================= Grid point 124 (24/58) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 8.834 16.218 2.282) 18.608 3.113 ( -9.946 4.625 -2.564) 11.265 3.412 ( 16.576 12.918 -7.228) 22.224 3.586 ( 4.793 5.489 -10.690) 12.937 3.978 ( -7.625 -5.117 8.953) 12.825 4.221 ( 5.074 -1.422 2.354) 5.772 4.721 ( -1.915 -3.618 -3.001) 5.076 4.930 ( -3.918 1.337 2.282) 4.727 5.647 ( 6.189 -3.768 8.030) 10.816 5.683 ( 1.137 0.837 0.984) 1.721 5.741 ( 0.123 -7.452 2.894) 7.996 5.993 ( 6.766 -7.765 -3.903) 11.014 6.068 ( -7.887 -6.504 3.219) 10.717 6.111 ( -0.137 -3.205 -2.917) 4.336 6.376 ( 1.732 7.966 4.210) 9.175 6.526 ( -6.810 4.553 2.683) 8.620 6.717 ( 1.849 -1.781 0.050) 2.568 6.831 ( 1.570 -9.354 -4.353) 10.436 6.974 ( -2.047 4.231 0.227) 4.706 7.111 ( 2.637 -7.166 0.120) 7.637 7.198 ( -0.548 -1.883 4.616) 5.015 7.441 ( -3.047 5.986 1.112) 6.808 7.464 ( -3.723 0.581 -2.364) 4.449 7.855 ( 4.979 -2.065 -2.034) 5.761 8.216 ( -3.313 5.409 5.366) 8.308 8.307 ( 0.460 3.470 0.718) 3.573 8.374 ( 1.225 4.764 0.823) 4.988 8.516 ( 1.373 1.789 0.612) 2.337 8.561 ( 0.277 -1.707 -7.285) 7.488 8.675 ( -0.150 -5.198 -6.532) 8.349 8.883 ( -0.118 1.472 0.286) 1.504 9.033 ( -4.111 -0.683 -5.573) 6.959 9.168 ( -2.074 4.662 -0.068) 5.103 9.220 ( -4.452 1.325 -3.214) 5.648 9.347 ( -2.958 -0.145 10.203) 10.624 9.572 ( 3.516 -0.657 5.632) 6.672 9.640 ( -1.188 -3.702 2.677) 4.720 9.702 ( 3.988 1.018 5.731) 7.056 9.881 ( -4.044 -2.436 -0.503) 4.748 10.090 ( -1.721 3.260 -3.773) 5.275 10.140 ( -0.162 1.665 0.493) 1.745 10.219 ( -2.897 4.706 -1.544) 5.738 10.386 ( 0.998 -0.374 3.033) 3.215 10.524 ( 3.728 -1.269 -6.575) 7.665 10.922 ( 1.507 -8.411 0.828) 8.585 11.019 ( 1.668 -11.237 0.069) 11.361 11.553 ( 0.994 4.141 4.727) 6.363 11.971 ( -0.274 -6.025 -22.174) 22.980 12.173 ( -1.924 0.977 -1.546) 2.654 12.250 ( -1.536 0.122 3.096) 3.458 12.678 ( 2.440 1.406 -1.419) 3.153 12.777 ( -3.788 6.768 1.935) 7.994 12.864 ( -0.518 3.191 1.182) 3.442 12.997 ( -0.396 -0.274 -3.491) 3.524 13.210 ( 2.199 0.114 -0.684) 2.306 13.238 ( 2.298 -0.666 1.127) 2.645 13.330 ( -1.238 -2.306 2.713) 3.770 13.354 ( 0.269 -0.947 1.568) 1.851 13.574 ( -2.104 3.219 -3.522) 5.214 13.912 ( 2.386 5.502 -2.391) 6.456 13.953 ( 4.453 -2.723 -0.572) 5.251 14.012 ( 2.832 -7.323 -1.686) 8.030 14.277 ( 2.545 5.970 1.258) 6.611 14.331 ( -2.211 1.924 2.425) 3.804 14.403 ( 0.107 1.420 -3.597) 3.868 14.571 ( -1.583 -2.314 -0.241) 2.814 14.639 ( -1.845 -6.709 5.512) 8.877 14.768 ( -1.900 -3.385 5.459) 6.699 14.791 ( -0.653 -3.482 -3.541) 5.009 14.936 ( -0.175 -0.902 -1.852) 2.067 15.203 ( -2.696 1.662 -0.246) 3.177 15.423 ( 6.123 -2.126 -5.091) 8.242 15.613 ( -5.012 4.673 9.193) 11.466 15.983 ( 1.350 1.175 -3.359) 3.806 16.454 ( 1.922 2.139 0.643) 2.947 16.615 ( -5.897 1.701 0.613) 6.168 16.756 ( 2.701 -0.499 2.788) 3.913 16.791 ( 1.046 -3.543 2.669) 4.557 17.382 ( 2.475 4.739 -0.023) 5.347 17.476 ( -2.270 0.150 -1.099) 2.526 17.616 ( -0.697 -1.109 4.322) 4.516 17.759 ( 2.021 -0.929 3.546) 4.186 19.655 ( 1.104 3.761 0.894) 4.020 20.024 ( -2.141 -2.175 -5.995) 6.727 ======================= Grid point 132 (25/58) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 15.403 26.679 5.269) 31.253 2.667 ( 17.103 29.624 -5.693) 34.677 3.251 ( 3.203 5.548 -4.569) 7.868 3.334 ( 7.282 12.613 -15.872) 21.542 3.926 ( 9.435 16.342 10.857) 21.770 4.181 ( -2.664 -4.615 5.345) 7.547 4.797 ( -0.702 -1.216 -1.452) 2.020 5.061 ( -2.026 -3.510 3.311) 5.233 5.620 ( -4.955 -8.583 7.581) 12.478 5.679 ( 0.276 0.478 -4.948) 4.978 5.810 ( -4.055 -7.023 -0.167) 8.111 5.831 ( -1.556 -2.696 2.035) 3.719 6.210 ( -0.195 -0.338 4.539) 4.556 6.378 ( -3.199 -5.541 1.347) 6.539 6.394 ( -6.376 -11.043 8.526) 15.339 6.526 ( 3.182 5.511 -3.107) 7.082 6.691 ( -0.095 -0.164 -3.258) 3.263 6.823 ( -4.008 -6.943 -1.584) 8.172 7.091 ( -4.777 -8.274 0.762) 9.584 7.134 ( 0.363 0.629 -4.641) 4.697 7.223 ( -1.875 -3.248 3.632) 5.220 7.480 ( 1.403 2.431 0.226) 2.816 7.618 ( -1.182 -2.048 1.299) 2.698 7.705 ( 0.857 1.485 -6.654) 6.871 8.091 ( 5.092 8.819 -2.406) 10.464 8.230 ( 5.071 8.784 6.140) 11.857 8.378 ( -0.818 -1.417 -2.298) 2.821 8.425 ( 0.587 1.016 0.133) 1.181 8.624 ( -1.374 -2.380 -8.188) 8.636 8.708 ( -2.695 -4.669 -1.287) 5.542 8.918 ( 2.348 4.066 -1.232) 4.854 9.023 ( -0.263 -0.456 1.525) 1.614 9.362 ( -3.263 -5.651 6.733) 9.377 9.420 ( -0.213 -0.369 -4.930) 4.948 9.460 ( 0.095 0.164 1.288) 1.302 9.481 ( 0.016 0.028 3.173) 3.173 9.557 ( -2.447 -4.238 2.172) 5.354 9.790 ( -3.882 -6.725 2.579) 8.182 9.905 ( -0.597 -1.033 2.301) 2.592 10.070 ( 3.761 6.515 -3.308) 8.218 10.187 ( -3.836 -6.644 -2.724) 8.142 10.292 ( 2.808 4.863 -9.590) 11.113 10.307 ( 0.122 0.212 6.202) 6.207 10.423 ( 0.713 1.236 5.974) 6.142 10.982 ( -4.057 -7.026 -1.955) 8.345 11.131 ( -7.467 -12.934 0.251) 14.937 11.426 ( 5.220 9.041 8.048) 13.181 12.081 ( -4.156 -7.198 -20.964) 22.551 12.255 ( -2.051 -3.552 -4.210) 5.878 12.296 ( -1.560 -2.702 0.983) 3.272 12.567 ( 3.341 5.786 -1.437) 6.834 12.775 ( 3.128 5.418 2.056) 6.586 12.901 ( 1.012 1.752 -4.668) 5.088 13.019 ( -1.152 -1.995 0.716) 2.412 13.135 ( 3.109 5.384 2.072) 6.554 13.137 ( 0.151 0.262 -3.428) 3.441 13.356 ( -0.054 -0.094 1.631) 1.634 13.373 ( -0.980 -1.698 1.303) 2.354 13.581 ( 2.056 3.560 -1.970) 4.559 13.833 ( 1.706 2.954 4.846) 5.926 13.856 ( -0.424 -0.734 0.510) 0.989 13.921 ( -1.170 -2.027 -5.723) 6.184 14.211 ( 1.876 3.250 6.083) 7.147 14.364 ( 2.992 5.183 -6.363) 8.735 14.469 ( -1.686 -2.919 2.140) 3.993 14.525 ( -0.238 -0.413 6.647) 6.664 14.682 ( -1.179 -2.042 -1.392) 2.739 14.854 ( -3.019 -5.230 -0.255) 6.044 14.883 ( -1.153 -1.997 -2.737) 3.579 15.103 ( -2.948 -5.106 -3.235) 6.725 15.169 ( -3.711 -6.428 1.731) 7.621 15.357 ( -0.111 -0.192 2.365) 2.376 15.752 ( 2.301 3.986 0.477) 4.627 15.794 ( 3.651 6.324 1.806) 7.522 16.397 ( 0.350 0.606 -3.834) 3.897 16.708 ( 0.797 1.380 4.745) 5.005 16.723 ( -0.274 -0.474 -2.614) 2.671 16.798 ( -1.001 -1.733 7.397) 7.663 17.365 ( 2.349 4.068 -4.280) 6.355 17.454 ( 1.006 1.742 -5.144) 5.523 17.621 ( 1.417 2.454 8.807) 9.252 17.688 ( -0.400 -0.693 4.632) 4.700 19.578 ( 2.308 3.997 6.511) 7.981 20.143 ( -3.657 -6.334 -7.512) 10.484 ======================= Grid point 133 (26/58) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 10.552 22.965 3.696) 25.542 3.256 ( 19.165 21.947 -7.646) 30.124 3.311 ( -3.912 6.547 -2.919) 8.166 3.565 ( 6.061 8.463 -7.510) 12.836 4.047 ( -5.981 -4.872 6.124) 9.849 4.123 ( 4.013 -1.020 2.318) 4.745 4.731 ( -3.274 -4.575 -4.285) 7.071 4.998 ( -2.694 -0.500 3.568) 4.499 5.517 ( 1.838 -5.273 4.730) 7.318 5.665 ( -0.521 -3.300 1.506) 3.664 5.698 ( -3.074 -3.127 1.560) 4.654 5.814 ( 5.319 -5.228 -3.194) 8.114 6.111 ( -4.876 -6.276 -0.268) 7.952 6.131 ( -7.952 -10.957 6.611) 15.066 6.403 ( 1.847 4.175 6.336) 7.809 6.597 ( -0.021 -0.724 1.668) 1.819 6.703 ( 1.243 0.431 -3.720) 3.946 6.741 ( -0.898 -0.801 -5.554) 5.682 6.951 ( 0.547 -9.159 -2.255) 9.448 7.107 ( -3.917 3.225 -0.777) 5.133 7.196 ( 1.177 -0.691 3.369) 3.635 7.510 ( -0.428 2.124 0.085) 2.168 7.568 ( -4.778 1.214 3.151) 5.851 7.741 ( 3.533 -2.560 -1.608) 4.650 8.273 ( 4.738 9.633 2.615) 11.049 8.360 ( -0.774 2.688 0.038) 2.798 8.404 ( 1.647 7.755 1.787) 8.127 8.484 ( 5.487 1.763 0.578) 5.792 8.577 ( -1.924 -1.143 -7.282) 7.618 8.606 ( -1.979 -6.201 -2.692) 7.044 8.929 ( -3.234 1.708 -3.180) 4.847 9.028 ( 1.409 -3.489 -4.116) 5.576 9.260 ( -3.798 -0.004 8.195) 9.032 9.369 ( -7.030 5.225 -2.863) 9.215 9.430 ( -5.184 -0.606 4.280) 6.750 9.515 ( 2.957 1.748 5.347) 6.355 9.565 ( 6.836 -3.660 1.296) 7.862 9.680 ( -3.186 -1.954 3.312) 4.994 9.880 ( 0.210 -3.674 -2.848) 4.654 10.126 ( 0.554 2.789 0.820) 2.960 10.176 ( 0.442 3.998 -3.701) 5.466 10.325 ( -1.151 5.999 1.634) 6.323 10.369 ( 1.336 0.326 -1.726) 2.207 10.443 ( 1.685 -1.578 0.936) 2.491 10.828 ( -2.325 -9.754 -0.718) 10.053 10.875 ( -3.262 -16.390 0.809) 16.731 11.533 ( 2.194 0.333 8.182) 8.477 11.944 ( -3.080 -6.098 -25.018) 25.934 12.221 ( -1.187 2.038 -3.285) 4.044 12.261 ( -0.476 -1.576 5.274) 5.525 12.684 ( 2.245 6.369 -0.921) 6.816 12.868 ( 1.487 4.514 2.530) 5.383 12.915 ( -2.010 3.878 -2.502) 5.033 12.991 ( 0.048 -1.652 -2.159) 2.719 13.153 ( 2.191 -0.313 -2.471) 3.317 13.212 ( 1.774 1.124 1.502) 2.583 13.325 ( -1.418 -3.195 2.595) 4.353 13.343 ( -0.580 -1.575 1.653) 2.355 13.656 ( -0.542 6.256 -5.032) 8.047 13.856 ( 1.549 -1.991 -1.590) 2.982 13.872 ( 2.718 -2.445 -10.072) 10.715 13.952 ( 3.295 3.508 7.322) 8.762 14.287 ( 2.452 4.787 5.591) 7.758 14.394 ( -3.708 0.837 1.988) 4.290 14.443 ( 0.373 4.539 -5.628) 7.240 14.533 ( 3.432 -5.773 5.178) 8.480 14.616 ( -4.897 -2.556 -1.807) 5.812 14.756 ( -1.487 -5.338 1.620) 5.773 14.790 ( -3.508 -5.218 1.431) 6.449 14.995 ( -4.874 1.159 -3.576) 6.155 15.149 ( 4.595 -5.623 -3.062) 7.880 15.385 ( 1.147 4.425 1.743) 4.893 15.759 ( -5.243 5.674 6.349) 9.999 15.931 ( 5.826 0.321 1.574) 6.043 16.424 ( 2.333 1.377 -2.172) 3.473 16.675 ( -3.362 -3.624 -0.021) 4.943 16.735 ( 0.779 0.515 1.444) 1.720 16.748 ( -0.545 -3.291 3.987) 5.198 17.419 ( -0.207 5.172 -2.143) 5.602 17.485 ( 1.213 -0.085 0.140) 1.224 17.642 ( -2.005 1.049 3.741) 4.372 17.699 ( 3.129 -1.155 4.100) 5.285 19.677 ( 2.498 6.026 1.491) 6.691 20.034 ( -2.791 -4.355 -5.928) 7.867 ======================= Grid point 134 (27/58) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( -6.853 11.870 1.699) 13.811 3.252 ( -5.456 9.450 -0.567) 10.927 3.617 ( -3.118 5.400 -2.445) 6.698 3.689 ( -2.949 5.108 -12.523) 13.842 3.886 ( 1.483 -2.569 10.260) 10.680 4.139 ( 3.505 -6.072 -2.615) 7.483 4.660 ( 1.433 -2.482 -4.979) 5.745 4.969 ( -1.256 2.176 3.055) 3.955 5.547 ( 2.684 -4.649 2.438) 5.896 5.573 ( 3.601 -6.237 3.244) 7.899 5.754 ( -1.883 3.261 4.478) 5.851 5.789 ( 5.282 -9.149 1.447) 10.664 5.998 ( 1.937 -3.355 1.489) 4.150 6.010 ( 2.694 -4.666 -1.935) 5.725 6.505 ( -1.263 2.188 2.879) 3.831 6.507 ( 2.095 -3.628 5.381) 6.819 6.718 ( 0.348 -0.603 -4.113) 4.171 6.739 ( -1.088 1.884 -7.923) 8.216 6.922 ( 4.381 -7.588 -3.608) 9.476 7.091 ( -2.832 4.905 0.530) 5.689 7.228 ( -1.275 2.209 5.343) 5.921 7.506 ( -1.827 3.164 1.900) 4.118 7.520 ( -1.542 2.670 0.585) 3.138 7.760 ( 3.407 -5.901 1.749) 7.034 8.372 ( -2.148 3.721 0.702) 4.353 8.393 ( -5.276 9.139 9.225) 14.016 8.440 ( -1.078 1.867 0.534) 2.221 8.529 ( -0.104 0.180 -1.083) 1.103 8.547 ( 3.606 -6.246 -7.044) 10.081 8.597 ( -1.918 3.321 -6.708) 7.727 8.894 ( -0.147 0.255 -0.568) 0.640 9.009 ( 1.395 -2.416 -6.486) 7.061 9.227 ( -2.279 3.946 5.386) 7.055 9.348 ( -0.745 1.291 8.715) 8.841 9.350 ( -3.137 5.433 -3.921) 7.398 9.573 ( 0.126 -0.218 2.009) 2.024 9.598 ( 0.728 -1.262 -0.627) 1.586 9.642 ( 1.860 -3.222 8.480) 9.260 9.872 ( -0.177 0.306 -3.398) 3.416 10.167 ( -2.148 3.721 -2.068) 4.768 10.204 ( -2.760 4.781 0.970) 5.605 10.319 ( -1.470 2.547 3.118) 4.286 10.389 ( -2.386 4.133 0.932) 4.862 10.443 ( 4.011 -6.948 -5.220) 9.571 10.755 ( 7.939 -13.750 0.915) 15.904 10.758 ( 4.048 -7.011 -0.298) 8.101 11.546 ( 2.000 -3.465 7.951) 8.901 11.882 ( 1.763 -3.053 -26.153) 26.390 12.231 ( -2.154 3.731 -3.270) 5.409 12.243 ( 0.217 -0.376 7.357) 7.370 12.741 ( -2.686 4.652 -0.248) 5.377 12.901 ( -2.614 4.527 -0.836) 5.294 12.920 ( -1.393 2.413 2.424) 3.692 12.984 ( 0.678 -1.174 -4.690) 4.882 13.199 ( 1.437 -2.489 0.469) 2.912 13.214 ( 0.491 -0.850 -1.158) 1.518 13.282 ( 0.643 -1.113 3.416) 3.650 13.329 ( 0.834 -1.444 1.831) 2.477 13.678 ( -3.520 6.096 -7.313) 10.150 13.847 ( 2.985 -5.171 -11.867) 13.284 13.913 ( 1.611 -2.791 3.597) 4.830 14.001 ( -0.763 1.322 3.243) 3.584 14.348 ( -0.440 0.762 2.975) 3.102 14.401 ( -2.584 4.475 0.979) 5.260 14.471 ( -2.663 4.613 -4.856) 7.208 14.507 ( 2.836 -4.912 7.863) 9.695 14.523 ( 0.706 -1.222 -3.229) 3.524 14.696 ( 1.842 -3.190 6.136) 7.157 14.743 ( 1.146 -1.985 -0.712) 2.401 14.965 ( -1.502 2.601 -4.271) 5.222 15.160 ( 3.110 -5.387 -3.840) 7.310 15.438 ( -1.835 3.179 -1.763) 4.072 15.726 ( -3.777 6.542 12.221) 14.367 15.983 ( 1.112 -1.926 1.090) 2.476 16.485 ( -0.203 0.351 -2.022) 2.062 16.586 ( 1.359 -2.354 3.946) 4.792 16.728 ( 1.470 -2.546 1.346) 3.233 16.745 ( 0.589 -1.020 -0.456) 1.263 17.458 ( -1.481 2.565 -2.928) 4.165 17.486 ( -0.569 0.986 2.320) 2.584 17.624 ( -0.908 1.572 2.942) 3.457 17.723 ( 1.404 -2.433 3.629) 4.589 19.742 ( -2.644 4.580 -0.768) 5.344 19.978 ( 1.440 -2.494 -4.566) 5.398 ======================= Grid point 140 (28/58) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -20.359 35.263 3.835) 40.898 1.619 ( -14.000 24.248 26.945) 38.859 2.503 ( -22.888 39.644 35.590) 57.984 2.758 ( -2.576 4.462 -21.678) 22.282 3.062 ( -4.548 7.878 -18.771) 20.858 4.282 ( 2.815 -4.876 -9.748) 11.258 4.773 ( -1.947 3.372 5.050) 6.376 5.128 ( 3.608 -6.249 -4.345) 8.423 5.662 ( -2.767 4.793 7.784) 9.551 5.767 ( 5.653 -9.791 -4.843) 12.299 5.978 ( -5.807 10.059 -7.963) 14.083 6.172 ( 4.585 -7.941 1.775) 9.340 6.353 ( 3.874 -6.710 8.256) 11.322 6.399 ( 1.968 -3.409 6.945) 7.983 6.709 ( 3.156 -5.466 6.884) 9.340 6.721 ( 0.441 -0.764 1.406) 1.660 6.893 ( 2.170 -3.758 -2.713) 5.118 6.994 ( -0.386 0.668 -6.583) 6.628 7.101 ( -2.571 4.454 4.629) 6.919 7.181 ( 1.685 -2.918 -6.744) 7.539 7.260 ( 1.077 -1.866 3.773) 4.344 7.378 ( -1.276 2.210 1.161) 2.804 7.617 ( -0.136 0.236 -9.117) 9.121 7.844 ( 9.103 -15.767 -6.993) 19.503 7.992 ( -2.843 4.925 6.448) 8.597 8.021 ( -3.307 5.728 2.376) 7.027 8.281 ( -1.079 1.868 -10.321) 10.544 8.336 ( -1.574 2.727 -10.505) 10.967 8.587 ( 0.907 -1.571 4.039) 4.428 8.728 ( -0.547 0.948 5.012) 5.130 8.936 ( -3.048 5.280 4.283) 7.451 9.098 ( 3.407 -5.901 -2.005) 7.103 9.364 ( -3.948 6.838 -5.683) 9.729 9.540 ( 1.693 -2.932 -0.025) 3.386 9.573 ( 3.094 -5.359 -0.065) 6.188 9.713 ( 4.059 -7.031 -1.137) 8.198 9.802 ( 0.499 -0.864 0.748) 1.247 9.843 ( 1.210 -2.096 -3.676) 4.401 10.015 ( 1.769 -3.065 12.517) 13.008 10.085 ( 1.930 -3.343 4.440) 5.883 10.129 ( 1.983 -3.435 -5.844) 7.063 10.308 ( 2.929 -5.073 3.907) 7.041 10.414 ( -2.466 4.271 3.940) 6.313 10.576 ( 4.818 -8.345 -3.073) 10.114 10.703 ( -5.919 10.251 -5.700) 13.138 11.050 ( -0.739 1.280 1.123) 1.856 11.625 ( 5.739 -9.941 4.536) 12.342 12.323 ( 3.307 -5.728 -1.012) 6.691 12.404 ( 0.290 -0.503 -2.494) 2.560 12.475 ( -0.375 0.649 -3.906) 3.977 12.514 ( -4.249 7.360 -5.637) 10.199 12.598 ( 0.151 -0.261 -14.290) 14.293 12.624 ( -0.829 1.437 2.330) 2.860 12.723 ( -1.255 2.174 -6.099) 6.596 13.055 ( -5.027 8.708 -0.537) 10.069 13.134 ( -3.653 6.328 -3.036) 7.912 13.416 ( 5.029 -8.710 1.843) 10.225 13.509 ( 1.544 -2.674 7.611) 8.213 13.678 ( 4.055 -7.024 1.030) 8.176 13.750 ( 1.797 -3.113 -0.017) 3.595 13.909 ( -1.116 1.933 0.028) 2.232 14.048 ( 0.078 -0.135 1.531) 1.539 14.095 ( 0.346 -0.599 -0.032) 0.693 14.211 ( -2.516 4.358 -2.087) 5.448 14.422 ( -1.969 3.411 3.543) 5.298 14.471 ( -2.928 5.072 1.535) 6.054 14.785 ( -5.213 9.029 0.607) 10.444 15.010 ( 1.525 -2.642 4.787) 5.677 15.012 ( 2.995 -5.187 -2.297) 6.415 15.394 ( 0.088 -0.152 1.756) 1.765 15.420 ( 2.002 -3.467 -9.391) 10.209 15.480 ( -2.966 5.137 -1.677) 6.164 15.531 ( -0.136 0.235 -1.871) 1.891 15.567 ( 4.532 -7.850 -4.672) 10.197 16.324 ( -5.836 10.109 7.014) 13.618 16.570 ( -5.301 9.181 6.720) 12.552 16.716 ( 2.915 -5.049 1.310) 5.976 16.881 ( -0.325 0.563 4.156) 4.207 16.976 ( 2.669 -4.623 -11.913) 13.055 17.157 ( -2.432 4.212 -5.750) 7.531 17.595 ( -2.880 4.988 4.194) 7.125 17.692 ( -2.325 4.027 4.221) 6.280 19.618 ( 7.068 -12.242 27.134) 30.595 20.521 ( 5.912 -10.241 -4.640) 12.703 ======================= Grid point 144 (29/58) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( 8.103 14.035 2.352) 16.376 3.390 ( 0.005 0.009 -1.282) 1.282 3.675 ( 10.685 18.506 -7.281) 22.576 3.693 ( 2.253 3.903 6.131) 7.610 3.925 ( -3.840 -6.651 0.723) 7.713 4.035 ( -4.083 -7.072 -6.028) 10.150 4.632 ( -2.208 -3.824 -5.132) 6.771 4.995 ( 0.007 0.012 2.569) 2.569 5.474 ( 0.737 1.276 2.306) 2.737 5.541 ( -2.921 -5.060 1.284) 5.982 5.664 ( -1.673 -2.897 4.128) 5.314 5.818 ( 2.474 4.286 -1.680) 5.226 5.921 ( -3.432 -5.944 6.241) 9.277 5.982 ( -4.201 -7.276 -0.077) 8.402 6.445 ( 1.288 2.231 3.892) 4.668 6.533 ( -2.765 -4.789 2.516) 6.076 6.713 ( 0.417 0.722 -5.451) 5.514 6.780 ( 0.752 1.303 -6.420) 6.594 6.827 ( -1.554 -2.691 -5.024) 5.907 7.175 ( 1.583 2.743 -0.822) 3.272 7.220 ( 1.009 1.747 4.245) 4.701 7.539 ( 0.810 1.402 3.208) 3.593 7.584 ( 0.270 0.468 5.847) 5.871 7.670 ( -2.100 -3.638 -0.084) 4.201 8.418 ( 1.085 1.879 1.585) 2.687 8.426 ( 1.692 2.930 -0.062) 3.384 8.486 ( -0.517 -0.896 -8.122) 8.188 8.526 ( -0.303 -0.525 1.915) 2.008 8.526 ( 1.954 3.384 10.615) 11.311 8.637 ( 3.658 6.336 -9.403) 11.914 8.919 ( -1.289 -2.233 -4.333) 5.042 8.950 ( -1.779 -3.081 -4.187) 5.494 9.291 ( 1.553 2.690 9.421) 9.920 9.381 ( -1.879 -3.254 4.860) 6.143 9.419 ( -1.518 -2.629 4.987) 5.838 9.458 ( -1.271 -2.202 1.694) 3.056 9.569 ( 0.673 1.165 0.787) 1.559 9.724 ( 3.452 5.979 -1.737) 7.119 9.851 ( -0.484 -0.838 -4.934) 5.028 10.223 ( 0.975 1.689 -0.509) 2.016 10.248 ( 5.135 8.895 2.273) 10.519 10.326 ( -2.717 -4.707 -2.650) 6.046 10.385 ( -1.527 -2.645 5.603) 6.381 10.481 ( 4.391 7.605 -2.350) 9.091 10.560 ( -7.570 -13.112 0.954) 15.170 10.667 ( -3.630 -6.287 -2.032) 7.539 11.497 ( -1.157 -2.004 8.081) 8.406 11.851 ( -1.563 -2.708 -27.625) 27.801 12.239 ( -0.270 -0.468 9.147) 9.163 12.276 ( 1.138 1.971 -2.331) 3.258 12.814 ( 3.290 5.699 -0.637) 6.611 12.924 ( -0.394 -0.683 1.671) 1.848 12.955 ( -0.002 -0.003 2.814) 2.814 12.973 ( 0.730 1.265 -7.471) 7.612 13.158 ( 0.656 1.137 -1.885) 2.297 13.207 ( -1.411 -2.443 -0.487) 2.863 13.278 ( 0.021 0.036 3.521) 3.521 13.310 ( -0.934 -1.618 2.126) 2.830 13.757 ( 1.047 1.813 -11.241) 11.434 13.794 ( -1.318 -2.283 -12.145) 12.428 13.882 ( 2.488 4.309 4.809) 6.920 13.995 ( -0.876 -1.517 5.084) 5.377 14.353 ( 0.463 0.802 0.366) 0.996 14.432 ( 2.025 3.508 6.368) 7.547 14.468 ( 0.283 0.489 -0.031) 0.566 14.515 ( 0.958 1.659 -5.267) 5.604 14.550 ( -2.500 -4.331 -0.389) 5.016 14.665 ( -1.163 -2.014 5.572) 6.038 14.708 ( -1.835 -3.178 3.309) 4.942 15.017 ( 0.273 0.472 -5.322) 5.350 15.067 ( -1.182 -2.046 -5.110) 5.630 15.481 ( 2.256 3.908 -0.295) 4.522 15.839 ( 1.162 2.013 10.492) 10.746 15.917 ( -0.633 -1.096 7.741) 7.844 16.474 ( 2.016 3.492 -3.249) 5.178 16.575 ( -3.039 -5.265 -0.505) 6.100 16.700 ( -0.704 -1.219 1.773) 2.264 16.726 ( -0.524 -0.908 1.165) 1.568 17.487 ( 0.922 1.597 -4.492) 4.856 17.497 ( 0.465 0.805 2.940) 3.084 17.657 ( 0.177 0.306 3.121) 3.141 17.681 ( -0.249 -0.432 3.574) 3.609 19.802 ( 3.410 5.906 -1.323) 6.947 19.942 ( -2.768 -4.795 -3.916) 6.782 ======================= Grid point 149 (30/58) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -11.576 24.632 18.919) 33.146 2.253 ( -24.736 30.444 -0.632) 39.232 2.907 ( -7.462 6.613 -16.973) 19.685 3.201 ( -4.187 5.130 -21.014) 22.033 3.330 ( -29.309 27.800 20.921) 45.492 4.207 ( 1.364 -3.047 1.066) 3.504 4.850 ( -1.787 4.316 4.642) 6.585 5.010 ( 2.968 -6.095 -3.655) 7.702 5.603 ( 2.616 -7.181 -1.416) 7.772 5.746 ( -2.259 1.831 2.419) 3.782 5.943 ( 8.344 -3.039 0.507) 8.895 6.026 ( 3.468 -8.711 3.754) 10.099 6.234 ( 1.313 -4.808 5.926) 7.743 6.425 ( -0.738 3.057 -1.103) 3.332 6.549 ( 7.749 -7.666 5.747) 12.323 6.601 ( 9.235 -1.889 1.614) 9.564 6.865 ( -1.231 -3.169 0.082) 3.401 6.983 ( 0.235 -2.251 -2.641) 3.478 7.140 ( 1.407 -0.724 -3.344) 3.699 7.195 ( -0.651 -1.149 4.798) 4.976 7.236 ( -2.274 3.841 -0.758) 4.527 7.410 ( 0.336 -1.159 -1.323) 1.790 7.523 ( 9.237 -8.883 -4.116) 13.460 7.655 ( -2.662 1.505 -8.201) 8.753 8.085 ( -3.752 3.113 4.680) 6.758 8.153 ( -4.505 6.750 3.504) 8.839 8.326 ( 0.533 4.427 -5.892) 7.389 8.436 ( -4.952 3.545 -9.535) 11.314 8.534 ( 1.293 -3.527 2.106) 4.306 8.728 ( -0.302 -2.332 -0.418) 2.389 8.972 ( 2.198 0.533 1.648) 2.798 9.001 ( 1.084 -3.982 -0.023) 4.127 9.353 ( 5.310 -8.433 -4.355) 10.875 9.455 ( 5.189 0.600 2.275) 5.697 9.549 ( -2.966 -0.645 1.650) 3.455 9.610 ( 3.953 0.369 1.994) 4.443 9.690 ( 8.819 2.773 -0.312) 9.250 9.852 ( 0.174 -4.222 1.299) 4.421 9.965 ( -1.492 -0.972 9.907) 10.066 10.057 ( -0.869 -0.461 3.990) 4.110 10.094 ( -1.036 -2.645 -7.264) 7.800 10.203 ( 2.888 -3.141 0.686) 4.322 10.356 ( 5.631 -7.968 -2.592) 10.095 10.508 ( -0.517 2.878 3.264) 4.382 10.902 ( -7.980 3.393 -8.098) 11.865 11.099 ( -1.610 -0.449 -0.621) 1.783 11.443 ( 5.340 -7.092 4.217) 9.828 12.209 ( 1.821 -7.599 -3.556) 8.585 12.342 ( 6.037 -0.247 -5.851) 8.411 12.458 ( -0.387 -5.553 -10.173) 11.597 12.556 ( 4.759 10.275 -3.283) 11.790 12.654 ( -1.462 3.887 0.017) 4.153 12.678 ( -2.928 1.975 1.752) 3.942 12.870 ( -11.612 -0.357 -5.233) 12.742 13.153 ( -0.682 1.657 -1.158) 2.134 13.223 ( -0.924 4.292 -0.123) 4.392 13.303 ( 1.076 -1.482 1.793) 2.563 13.445 ( 2.848 -2.620 2.894) 4.832 13.576 ( 2.262 -0.610 1.479) 2.771 13.711 ( -0.923 -4.001 0.105) 4.108 13.946 ( -0.137 4.078 2.674) 4.879 14.038 ( 1.561 2.627 3.052) 4.319 14.122 ( -4.379 -1.686 -2.600) 5.364 14.290 ( -1.456 3.846 -2.199) 4.664 14.472 ( -0.783 2.251 3.460) 4.201 14.546 ( -0.921 2.019 2.745) 3.530 14.822 ( 3.239 -1.272 2.207) 4.121 14.925 ( 0.116 -6.194 -2.867) 6.827 15.027 ( 0.078 7.012 3.553) 7.861 15.325 ( 4.745 -3.599 -2.446) 6.438 15.336 ( 9.803 -6.244 -0.350) 11.628 15.409 ( 0.586 -0.763 2.579) 2.752 15.514 ( 0.558 0.594 -4.695) 4.765 15.662 ( -10.038 3.559 -1.701) 10.785 16.512 ( -3.093 7.770 5.085) 9.787 16.598 ( 4.874 -5.309 3.421) 7.978 16.622 ( 0.342 -3.556 5.684) 6.714 16.862 ( -0.339 -2.369 -2.598) 3.533 17.023 ( -6.384 4.585 -6.443) 10.163 17.279 ( -6.100 4.445 -5.915) 9.589 17.675 ( -1.760 2.109 4.722) 5.463 17.761 ( -0.990 3.094 5.728) 6.585 19.510 ( -0.124 -0.150 12.638) 12.639 20.309 ( 7.332 -7.742 -6.466) 12.470 ======================= Grid point 160 (31/58) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -10.134 20.802 10.824) 25.545 2.945 ( -22.173 22.829 -3.004) 31.965 3.077 ( -2.803 6.841 -9.511) 12.046 3.343 ( -8.412 4.617 -18.495) 20.836 3.965 ( -17.806 13.187 10.587) 24.557 4.149 ( 2.353 -2.972 6.089) 7.172 4.877 ( 2.795 -0.188 1.284) 3.082 4.914 ( 2.040 -2.633 -0.860) 3.440 5.558 ( -2.455 -2.481 3.548) 4.977 5.717 ( 1.133 -7.212 -0.824) 7.347 5.791 ( 3.213 -4.901 -1.753) 6.117 5.985 ( -3.291 1.138 4.372) 5.590 6.220 ( -1.769 -0.384 5.953) 6.222 6.300 ( 8.255 -8.263 4.437) 12.495 6.377 ( 8.135 -0.383 -4.416) 9.264 6.432 ( 6.585 -2.212 2.629) 7.428 6.820 ( 1.117 -3.138 2.577) 4.212 6.985 ( 2.352 2.559 -0.895) 3.589 7.064 ( 0.289 -8.151 2.293) 8.472 7.129 ( 1.346 -8.073 0.064) 8.185 7.272 ( 5.154 -4.267 -4.519) 8.074 7.377 ( -4.160 7.097 0.777) 8.263 7.465 ( 1.000 2.576 -0.218) 2.772 7.732 ( -4.378 1.070 -6.117) 7.598 8.194 ( -4.718 3.540 1.351) 6.051 8.262 ( 0.498 -1.286 2.709) 3.040 8.311 ( 4.236 7.481 0.500) 8.612 8.482 ( -1.071 1.562 -2.426) 3.078 8.599 ( -6.336 2.991 -2.407) 7.408 8.704 ( 0.334 -2.217 -4.499) 5.027 8.914 ( 4.674 -2.525 -2.480) 5.863 8.968 ( -0.996 -0.263 -5.702) 5.794 9.156 ( 4.832 -7.424 1.058) 8.921 9.380 ( 4.258 1.038 5.108) 6.730 9.521 ( 11.272 4.928 4.016) 12.941 9.584 ( -2.084 0.877 5.575) 6.016 9.634 ( -1.597 -0.615 0.966) 1.965 9.779 ( 3.478 -1.370 6.659) 7.637 9.984 ( 1.642 -2.092 3.542) 4.430 10.032 ( 1.515 0.096 -4.779) 5.014 10.120 ( -1.589 -0.377 -1.035) 1.933 10.173 ( 2.137 -2.824 -1.291) 3.770 10.245 ( -4.370 -1.028 -4.365) 6.261 10.541 ( -0.897 0.827 0.533) 1.332 10.992 ( -2.359 -5.442 -3.527) 6.901 11.075 ( -0.806 -7.776 -1.989) 8.067 11.319 ( 0.390 -5.526 0.110) 5.541 12.115 ( -0.244 -8.250 -5.850) 10.116 12.248 ( 4.621 1.812 -5.557) 7.451 12.377 ( 6.808 2.148 -4.582) 8.483 12.608 ( -0.476 5.459 -1.518) 5.686 12.711 ( -2.378 1.347 1.336) 3.042 12.742 ( -1.937 2.000 0.702) 2.871 12.995 ( -2.362 0.017 -3.875) 4.538 13.202 ( -3.745 0.374 -1.603) 4.091 13.259 ( 0.768 2.409 1.639) 3.013 13.304 ( -0.985 0.569 1.718) 2.061 13.379 ( 1.626 -1.624 1.108) 2.551 13.577 ( -0.621 1.736 -0.472) 1.903 13.712 ( -2.610 -0.536 -1.293) 2.962 14.006 ( -1.717 4.510 4.509) 6.604 14.075 ( -2.082 4.305 2.186) 5.258 14.185 ( -4.375 -1.686 -4.016) 6.174 14.332 ( -0.129 2.215 -1.941) 2.948 14.492 ( 2.200 3.742 3.313) 5.461 14.550 ( 0.761 -0.062 3.265) 3.353 14.740 ( 3.681 -2.483 1.261) 4.616 14.874 ( 0.120 -4.914 0.462) 4.937 15.018 ( 8.981 -5.367 0.872) 10.499 15.108 ( 4.263 1.314 1.130) 4.601 15.234 ( 4.848 1.887 0.478) 5.224 15.411 ( -0.947 -0.229 3.744) 3.869 15.520 ( -1.441 -1.559 -5.674) 6.058 15.871 ( -8.822 4.118 0.024) 9.736 16.412 ( 6.016 -7.479 -1.427) 9.704 16.499 ( 2.943 -4.401 0.346) 5.305 16.705 ( -5.194 3.599 4.986) 8.049 16.851 ( -0.760 -2.199 0.486) 2.376 17.200 ( -6.935 5.887 -1.729) 9.259 17.423 ( -4.510 4.067 -3.703) 7.113 17.693 ( 0.681 0.156 4.981) 5.030 17.780 ( 0.843 0.567 4.951) 5.054 19.570 ( -3.324 4.069 5.010) 7.260 20.129 ( 5.897 -5.129 -7.011) 10.499 ======================= Grid point 161 (32/58) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -12.081 20.924 13.058) 27.464 2.856 ( -16.744 29.002 -1.252) 33.512 3.094 ( -6.656 11.528 -11.761) 17.763 3.287 ( -2.290 3.967 -19.205) 19.744 3.856 ( -12.810 22.188 11.203) 27.963 4.154 ( 1.561 -2.704 4.602) 5.561 4.890 ( 3.352 -5.806 -4.147) 7.884 4.929 ( -1.517 2.628 5.054) 5.895 5.519 ( 0.783 -1.356 2.022) 2.557 5.691 ( 3.855 -6.677 -1.290) 7.817 5.799 ( 5.080 -8.799 -0.012) 10.160 5.957 ( -0.347 0.601 5.035) 5.083 6.194 ( -1.493 2.586 4.850) 5.696 6.338 ( 6.603 -11.436 5.921) 14.472 6.474 ( 0.601 -1.041 -4.734) 4.884 6.484 ( 5.156 -8.930 3.212) 10.801 6.834 ( 3.787 -6.559 0.586) 7.596 6.891 ( -1.726 2.990 0.756) 3.534 7.095 ( 2.957 -5.122 3.737) 6.996 7.126 ( 2.739 -4.743 -0.385) 5.491 7.260 ( 3.705 -6.417 -12.812) 14.800 7.357 ( -2.441 4.229 5.952) 7.698 7.530 ( -1.864 3.229 0.696) 3.792 7.697 ( -1.298 2.249 -6.207) 6.728 8.168 ( -3.368 5.833 0.805) 6.783 8.251 ( -1.101 1.907 3.157) 3.849 8.429 ( -1.789 3.098 2.088) 4.142 8.459 ( 0.443 -0.768 -3.807) 3.909 8.554 ( -3.710 6.426 -3.573) 8.236 8.689 ( -0.275 0.477 -3.510) 3.553 8.950 ( 0.856 -1.483 -2.849) 3.324 8.955 ( 1.278 -2.214 -0.664) 2.641 9.160 ( 5.040 -8.729 -0.934) 10.122 9.489 ( 0.076 -0.132 1.869) 1.875 9.491 ( 0.813 -1.409 3.903) 4.228 9.596 ( 0.925 -1.603 0.730) 1.989 9.718 ( 1.289 -2.232 10.313) 10.630 9.824 ( -0.792 1.373 -2.362) 2.845 9.944 ( 0.095 -0.165 12.025) 12.027 10.066 ( 0.712 -1.233 1.059) 1.774 10.084 ( -0.349 0.605 -11.174) 11.196 10.178 ( -2.143 3.712 -1.149) 4.438 10.195 ( 4.254 -7.367 -3.419) 9.168 10.539 ( 0.030 -0.051 2.285) 2.285 10.929 ( 0.983 -1.702 -8.453) 8.679 11.026 ( 3.816 -6.610 1.243) 7.733 11.295 ( 3.923 -6.795 0.334) 7.854 12.065 ( 3.785 -6.556 -5.753) 9.508 12.338 ( 0.951 -1.646 -10.398) 10.570 12.385 ( -0.000 0.001 1.474) 1.474 12.685 ( -0.988 1.710 4.499) 4.913 12.704 ( -1.321 2.288 -3.669) 4.521 12.751 ( -1.834 3.177 -5.352) 6.488 12.929 ( -4.059 7.031 -1.987) 8.358 13.162 ( -0.244 0.422 -1.441) 1.521 13.281 ( -0.535 0.927 2.068) 2.329 13.303 ( -0.331 0.573 1.428) 1.574 13.385 ( 1.400 -2.425 1.238) 3.062 13.584 ( -0.868 1.503 -0.229) 1.750 13.682 ( -0.653 1.131 -1.077) 1.693 14.031 ( -2.423 4.197 4.551) 6.648 14.095 ( -0.494 0.855 -3.240) 3.387 14.104 ( -1.539 2.665 2.023) 3.683 14.334 ( -0.501 0.868 -0.575) 1.156 14.534 ( -2.046 3.544 2.400) 4.744 14.569 ( 0.160 -0.278 5.213) 5.222 14.790 ( 3.676 -6.367 -3.877) 8.312 14.807 ( 0.492 -0.853 2.984) 3.143 15.072 ( 4.840 -8.383 2.339) 9.959 15.181 ( 0.306 -0.530 2.543) 2.616 15.262 ( 1.700 -2.945 -2.279) 4.094 15.427 ( -0.009 0.016 1.660) 1.660 15.494 ( 0.567 -0.982 -2.230) 2.502 15.790 ( -4.584 7.940 2.032) 9.391 16.436 ( 5.453 -9.444 -4.920) 11.964 16.517 ( 1.794 -3.107 1.665) 3.955 16.672 ( -2.795 4.842 5.410) 7.780 16.817 ( 1.315 -2.277 -1.754) 3.161 17.169 ( -4.834 8.373 -1.933) 9.859 17.402 ( -4.182 7.243 -2.861) 8.839 17.698 ( -0.116 0.201 4.758) 4.764 17.791 ( 0.076 -0.131 4.746) 4.748 19.562 ( -2.746 4.756 5.677) 7.898 20.157 ( 4.158 -7.202 -6.750) 10.711 ======================= Grid point 171 (33/58) ======================= q-point: (-0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( -5.739 14.742 3.335) 16.167 3.049 ( 7.047 2.896 -4.948) 9.085 3.445 ( -8.719 8.487 -7.827) 14.468 3.604 ( -13.223 11.478 -7.242) 18.949 3.978 ( 9.441 -5.372 5.946) 12.383 4.257 ( -5.583 1.566 4.154) 7.132 4.812 ( 0.469 -3.336 -2.752) 4.350 4.852 ( 4.405 1.613 2.811) 5.468 5.557 ( -1.309 -4.793 4.335) 6.594 5.665 ( -3.208 -7.278 -0.296) 7.959 5.805 ( -7.307 0.728 3.360) 8.075 5.977 ( 4.202 -7.802 4.248) 9.827 6.167 ( -0.804 -0.438 -1.139) 1.461 6.198 ( 0.452 -6.148 3.953) 7.323 6.262 ( 3.421 -0.471 -3.800) 5.134 6.398 ( 2.536 7.744 -0.063) 8.149 6.833 ( -2.701 3.984 3.034) 5.690 6.918 ( 4.328 2.333 1.959) 5.293 7.003 ( 1.781 -6.813 -0.776) 7.084 7.055 ( -1.842 -4.427 -1.435) 5.005 7.152 ( 3.665 -3.605 2.273) 5.621 7.450 ( -4.698 -6.767 -2.062) 8.492 7.507 ( 2.830 10.231 4.910) 11.696 7.797 ( -2.813 -1.944 -6.517) 7.360 8.160 ( 3.469 -1.003 3.141) 4.786 8.301 ( -2.737 1.372 -1.615) 3.461 8.344 ( 1.589 4.705 2.889) 5.746 8.530 ( -0.728 2.318 1.012) 2.632 8.676 ( 0.977 0.872 -6.223) 6.359 8.711 ( 0.712 5.482 -2.612) 6.114 8.833 ( 0.090 -1.504 -2.653) 3.052 8.908 ( 2.402 -5.922 -5.582) 8.485 9.162 ( -4.764 4.140 -1.274) 6.439 9.331 ( 5.992 2.740 1.720) 6.809 9.372 ( 6.822 2.202 6.394) 9.606 9.637 ( -3.001 -0.357 9.996) 10.443 9.671 ( -1.105 1.973 3.635) 4.281 9.715 ( 3.193 -0.101 7.349) 8.014 9.907 ( 3.839 1.032 1.390) 4.211 10.005 ( 1.024 -1.287 -8.614) 8.770 10.106 ( -1.077 -2.476 -4.344) 5.114 10.151 ( 0.316 0.199 3.440) 3.460 10.357 ( -4.471 1.268 -1.845) 5.000 10.551 ( -0.871 -1.686 -5.394) 5.718 10.935 ( -1.610 -8.134 1.460) 8.419 10.990 ( -2.123 -10.734 -0.984) 10.986 11.310 ( -4.472 -6.586 -6.335) 10.174 12.060 ( -2.563 -7.409 -6.943) 10.472 12.231 ( 1.984 5.982 -2.720) 6.864 12.286 ( 7.077 4.391 -2.660) 8.743 12.658 ( 0.618 4.055 0.181) 4.106 12.752 ( -2.220 -1.800 2.336) 3.691 12.781 ( -0.032 2.314 -1.657) 2.847 13.006 ( 0.798 1.221 -3.296) 3.604 13.226 ( 0.144 0.037 -0.043) 0.155 13.253 ( -0.052 -1.232 0.402) 1.297 13.344 ( -1.504 0.741 2.914) 3.362 13.361 ( 0.132 0.049 1.537) 1.543 13.596 ( 1.112 2.705 -1.106) 3.127 13.783 ( -4.085 -0.298 -5.470) 6.834 14.059 ( 0.912 3.760 6.267) 7.365 14.199 ( -5.625 4.141 -0.509) 7.003 14.229 ( -2.797 -1.917 -4.238) 5.427 14.351 ( 1.769 4.363 -1.862) 5.063 14.485 ( 0.524 -0.902 4.393) 4.515 14.510 ( 3.387 -0.109 1.128) 3.572 14.646 ( 3.392 -3.190 0.560) 4.690 14.779 ( 3.860 -2.224 7.864) 9.039 14.866 ( 1.464 -2.203 -0.286) 2.661 15.071 ( 1.870 0.219 -4.870) 5.221 15.213 ( 3.898 7.113 3.076) 8.675 15.434 ( -1.463 -0.280 10.196) 10.305 15.523 ( -1.880 -3.481 -10.290) 11.025 16.022 ( -3.961 2.292 2.016) 5.000 16.270 ( 0.566 -7.385 -4.264) 8.546 16.419 ( 1.754 -2.204 -0.083) 2.817 16.800 ( -3.411 -0.019 2.595) 4.285 16.841 ( -0.661 -2.347 2.160) 3.258 17.357 ( -4.884 3.474 -0.770) 6.043 17.484 ( 2.154 3.465 0.473) 4.108 17.679 ( 0.864 0.996 5.075) 5.244 17.758 ( 0.411 -1.556 2.565) 3.029 19.666 ( -1.609 4.256 1.540) 4.803 20.010 ( 2.544 -3.087 -6.634) 7.747 ======================= Grid point 172 (34/58) ======================= q-point: (-0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( -6.522 18.786 6.568) 20.942 3.209 ( 2.555 9.598 -6.633) 11.944 3.378 ( -8.227 8.817 -8.747) 14.898 3.473 ( -15.669 15.101 -4.183) 22.160 4.067 ( 5.234 -3.407 2.905) 6.887 4.166 ( -7.041 4.752 4.891) 9.802 4.791 ( 1.722 -4.264 -5.463) 7.141 4.926 ( 2.909 -0.773 4.697) 5.579 5.506 ( 0.224 -3.414 4.679) 5.796 5.563 ( 0.847 -7.612 -1.306) 7.770 5.694 ( -1.637 -2.889 -0.486) 3.355 5.967 ( 0.299 -2.450 4.287) 4.947 6.119 ( 3.754 -8.445 6.621) 11.368 6.215 ( 4.035 -4.041 2.991) 6.447 6.355 ( 4.056 1.561 -0.088) 4.346 6.444 ( -1.224 0.456 -2.770) 3.062 6.802 ( -3.380 3.124 0.757) 4.665 6.934 ( -0.940 -2.939 -3.478) 4.649 6.991 ( 4.351 -3.898 -0.740) 5.888 7.034 ( 0.472 1.315 6.616) 6.762 7.197 ( -0.774 -4.954 -9.225) 10.500 7.345 ( 4.023 -3.775 4.541) 7.145 7.590 ( -1.249 4.246 3.136) 5.424 7.735 ( -1.848 -0.989 -2.699) 3.418 8.200 ( 3.383 -4.048 -0.398) 5.290 8.278 ( -2.392 2.949 -2.025) 4.304 8.448 ( 2.184 6.927 3.910) 8.249 8.526 ( -3.268 2.632 2.159) 4.718 8.679 ( -3.256 4.285 -2.304) 5.854 8.733 ( -1.402 2.981 -0.455) 3.326 8.873 ( 3.686 -2.321 -9.102) 10.090 8.921 ( 3.219 -0.212 -4.412) 5.466 9.100 ( -4.504 0.523 1.755) 4.862 9.433 ( 4.225 3.334 5.383) 7.612 9.487 ( 2.859 -4.202 3.734) 6.306 9.599 ( -4.475 -1.837 3.577) 6.016 9.677 ( 3.167 4.018 7.030) 8.695 9.805 ( 4.944 3.807 3.983) 7.403 9.956 ( 0.001 -1.402 8.872) 8.982 10.021 ( 1.977 -0.872 -6.634) 6.977 10.059 ( -0.248 -3.842 -5.655) 6.841 10.139 ( -1.894 -0.227 -3.481) 3.970 10.307 ( -4.639 5.509 -3.183) 7.874 10.506 ( 0.755 -4.616 -0.833) 4.751 10.837 ( 0.922 -9.788 -1.249) 9.911 10.870 ( 2.990 -10.656 0.563) 11.082 11.202 ( -0.312 -5.648 -7.088) 9.068 11.959 ( 0.445 -6.869 -7.201) 9.962 12.322 ( 1.773 4.479 -3.555) 5.987 12.391 ( 1.061 0.490 0.845) 1.442 12.711 ( -0.399 2.102 1.164) 2.435 12.736 ( 0.353 2.527 -2.781) 3.774 12.790 ( -0.450 2.001 -2.396) 3.153 13.044 ( -0.160 4.980 -2.077) 5.398 13.187 ( -3.247 -1.397 -2.085) 4.104 13.256 ( 1.555 -1.878 1.707) 2.976 13.323 ( -1.193 0.961 3.059) 3.421 13.368 ( 0.268 0.175 1.924) 1.950 13.629 ( -0.918 3.390 -2.740) 4.455 13.738 ( -2.483 2.487 -3.796) 5.173 14.094 ( -1.030 3.807 4.592) 6.053 14.144 ( -4.068 -0.891 -3.404) 5.379 14.176 ( -2.476 4.621 1.811) 5.547 14.350 ( -1.232 0.212 0.588) 1.381 14.522 ( 3.862 -2.503 1.780) 4.934 14.593 ( 0.784 4.856 2.513) 5.524 14.654 ( 3.584 -6.346 -1.902) 7.532 14.805 ( -0.143 -1.729 4.744) 5.051 14.858 ( 5.132 -7.417 7.214) 11.549 15.166 ( 5.274 3.319 -4.133) 7.478 15.261 ( -2.564 0.281 -2.348) 3.488 15.414 ( -1.465 -2.711 -11.998) 12.387 15.493 ( 1.238 2.523 14.473) 14.743 15.913 ( -4.485 -2.351 7.499) 9.048 16.293 ( 3.040 -1.071 -9.544) 10.074 16.459 ( 3.246 -0.250 0.548) 3.302 16.735 ( -2.361 -0.787 2.194) 3.317 16.776 ( -1.111 -4.984 0.122) 5.108 17.326 ( -4.295 6.030 -0.941) 7.463 17.534 ( -2.235 6.174 -0.111) 6.567 17.691 ( 0.513 -0.189 4.669) 4.701 17.763 ( 1.569 -2.019 3.647) 4.454 19.675 ( -3.281 6.013 1.615) 7.038 20.026 ( 3.703 -5.124 -6.207) 8.860 ======================= Grid point 181 (35/58) ======================= q-point: (-0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 6.698 11.602 1.335) 13.463 3.171 ( 5.414 9.377 -2.301) 11.069 3.503 ( -0.823 -1.425 -5.470) 5.712 3.850 ( 3.421 5.925 -6.687) 9.567 3.874 ( -0.078 -0.135 5.128) 5.130 4.243 ( -1.350 -2.338 2.370) 3.592 4.755 ( -1.095 -1.897 -6.285) 6.656 4.875 ( 0.077 0.134 4.833) 4.836 5.469 ( -1.943 -3.365 2.141) 4.437 5.521 ( -3.655 -6.331 -0.196) 7.313 5.736 ( -3.932 -6.810 0.907) 7.916 5.897 ( 1.031 1.787 9.073) 9.304 6.100 ( -2.464 -4.268 1.337) 5.107 6.109 ( -1.814 -3.141 4.839) 6.047 6.318 ( 2.397 4.152 -5.167) 7.049 6.473 ( -1.033 -1.790 0.893) 2.251 6.885 ( -0.637 -1.104 -5.618) 5.760 6.926 ( 2.005 3.473 1.932) 4.451 6.940 ( 0.103 0.179 -0.772) 0.799 7.087 ( 1.698 2.941 -5.142) 6.162 7.136 ( 1.734 3.003 10.639) 11.190 7.255 ( -5.735 -9.933 -3.407) 11.966 7.631 ( 1.303 2.256 5.305) 5.910 7.741 ( -2.018 -3.495 -1.707) 4.382 8.137 ( -0.696 -1.205 -0.641) 1.532 8.309 ( 0.042 0.072 -4.276) 4.277 8.468 ( 3.809 6.597 5.709) 9.520 8.567 ( 0.506 0.876 4.161) 4.282 8.725 ( 1.524 2.639 -5.356) 6.163 8.789 ( -1.363 -2.361 -0.012) 2.726 8.821 ( -0.867 -1.501 -11.147) 11.281 8.874 ( 5.475 9.482 0.638) 10.968 9.208 ( -0.443 -0.768 1.468) 1.715 9.368 ( -0.765 -1.325 -1.544) 2.173 9.432 ( 2.637 4.568 10.198) 11.482 9.624 ( -0.577 -1.000 7.947) 8.031 9.693 ( 1.490 2.580 1.988) 3.582 9.773 ( 2.500 4.330 7.000) 8.602 9.935 ( 0.515 0.892 6.059) 6.145 9.998 ( 0.206 0.357 -9.660) 9.669 10.056 ( -0.989 -1.713 -5.468) 5.815 10.160 ( 0.495 0.857 -0.193) 1.008 10.388 ( 0.616 1.067 -3.476) 3.688 10.463 ( -4.027 -6.975 -2.284) 8.372 10.772 ( -3.649 -6.321 -0.222) 7.302 10.774 ( -5.393 -9.341 1.388) 10.875 11.178 ( -3.348 -5.799 -9.572) 11.682 11.920 ( -3.262 -5.649 -7.659) 10.060 12.353 ( 1.971 3.413 -2.383) 4.606 12.361 ( 2.554 4.424 2.283) 5.595 12.730 ( -0.015 -0.026 1.200) 1.201 12.745 ( 1.861 3.224 -3.480) 5.096 12.805 ( 0.147 0.255 -1.880) 1.903 13.060 ( 2.429 4.207 -2.539) 5.481 13.220 ( -0.888 -1.537 -0.011) 1.775 13.224 ( -0.464 -0.804 0.721) 1.175 13.352 ( -0.177 -0.306 3.194) 3.214 13.357 ( -0.100 -0.173 2.044) 2.053 13.659 ( 1.911 3.310 -3.554) 5.219 13.777 ( -0.191 -0.331 -5.733) 5.745 14.129 ( 1.392 2.412 6.829) 7.375 14.174 ( -1.612 -2.792 -2.569) 4.123 14.290 ( 2.076 3.595 -3.706) 5.565 14.332 ( -2.067 -3.579 4.275) 5.946 14.445 ( 0.001 0.002 -3.999) 3.999 14.572 ( -2.392 -4.143 -1.650) 5.061 14.604 ( 3.262 5.649 5.344) 8.433 14.767 ( 0.255 0.441 13.228) 13.238 14.815 ( -1.561 -2.703 2.420) 3.949 15.129 ( 2.903 5.028 -7.127) 9.193 15.292 ( 0.478 0.828 -4.643) 4.740 15.418 ( -3.515 -6.088 -11.769) 13.708 15.497 ( 3.338 5.781 17.236) 18.483 15.917 ( -5.496 -9.520 9.139) 14.296 16.292 ( 3.525 6.105 -8.080) 10.723 16.415 ( 0.975 1.689 -1.234) 2.308 16.749 ( -2.332 -4.038 0.394) 4.680 16.761 ( -3.126 -5.415 1.319) 6.390 17.404 ( 0.915 1.585 -0.887) 2.034 17.579 ( 2.701 4.679 1.684) 5.659 17.697 ( 0.156 0.270 4.882) 4.892 17.722 ( -0.742 -1.285 2.364) 2.791 19.751 ( 2.176 3.769 -0.065) 4.353 19.954 ( -1.400 -2.425 -5.587) 6.250 ======================= Grid point 183 (36/58) ======================= q-point: (-0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( -7.143 12.373 2.365) 14.481 3.370 ( -1.096 1.899 -1.764) 2.814 3.408 ( -0.244 0.423 -3.476) 3.510 3.806 ( -7.479 12.954 -1.468) 15.029 3.978 ( 3.094 -5.358 -1.532) 6.374 4.207 ( -0.106 0.183 1.162) 1.181 4.737 ( 0.688 -1.193 -7.705) 7.827 4.871 ( 1.785 -3.092 5.131) 6.251 5.438 ( 1.484 -2.570 1.527) 3.338 5.446 ( 1.856 -3.215 -0.827) 3.803 5.660 ( 0.587 -1.017 2.936) 3.163 5.959 ( -0.478 0.828 2.743) 2.905 6.008 ( 0.478 -0.828 8.512) 8.566 6.093 ( 3.571 -6.185 4.540) 8.462 6.390 ( 0.778 -1.348 -4.232) 4.509 6.402 ( 0.257 -0.445 0.521) 0.731 6.905 ( 0.023 -0.039 -4.373) 4.373 6.926 ( 0.689 -1.193 -4.759) 4.954 6.987 ( -6.245 10.817 1.056) 12.535 7.085 ( 2.482 -4.299 -13.685) 14.557 7.107 ( -2.153 3.729 10.223) 11.093 7.240 ( 4.323 -7.487 8.002) 11.780 7.640 ( -1.063 1.840 2.882) 3.580 7.696 ( 1.435 -2.485 0.781) 2.974 8.123 ( 1.561 -2.704 -1.711) 3.560 8.311 ( -0.501 0.867 -5.301) 5.394 8.554 ( -0.858 1.486 6.141) 6.376 8.561 ( -0.628 1.087 5.306) 5.453 8.749 ( -1.116 1.933 1.315) 2.591 8.763 ( -1.206 2.089 -7.430) 7.812 8.813 ( 1.104 -1.912 -10.964) 11.184 9.042 ( -3.179 5.506 1.305) 6.490 9.140 ( -3.058 5.297 3.312) 6.955 9.336 ( 4.979 -8.624 3.224) 10.467 9.512 ( -0.855 1.482 8.605) 8.773 9.564 ( 0.578 -1.001 8.261) 8.342 9.764 ( -2.783 4.819 0.481) 5.586 9.845 ( 0.661 -1.145 -4.413) 4.607 9.929 ( 0.536 -0.929 17.661) 17.693 10.006 ( 0.166 -0.287 -9.485) 9.491 10.053 ( -1.985 3.438 -5.177) 6.524 10.154 ( -0.127 0.220 -6.967) 6.971 10.379 ( 3.063 -5.306 2.142) 6.490 10.382 ( -0.228 0.395 -3.715) 3.743 10.671 ( 2.130 -3.690 1.529) 4.527 10.712 ( 3.047 -5.277 -0.983) 6.173 11.114 ( 1.508 -2.612 -10.293) 10.725 11.860 ( 1.548 -2.681 -8.620) 9.159 12.387 ( -0.973 1.685 0.430) 1.992 12.407 ( -0.400 0.694 2.743) 2.858 12.742 ( -0.891 1.543 -0.603) 1.881 12.768 ( -0.201 0.349 -4.291) 4.310 12.807 ( 0.035 -0.060 -2.239) 2.240 13.147 ( -1.782 3.087 -1.125) 3.738 13.167 ( -0.369 0.639 -1.512) 1.682 13.215 ( 1.191 -2.063 0.958) 2.568 13.340 ( -0.452 0.783 3.356) 3.476 13.360 ( 0.559 -0.969 2.548) 2.783 13.704 ( -2.112 3.658 -4.690) 6.312 13.770 ( 0.149 -0.258 -5.278) 5.286 14.140 ( -0.699 1.210 -0.978) 1.706 14.147 ( -0.698 1.209 4.323) 4.543 14.268 ( -1.879 3.254 2.670) 4.610 14.377 ( -1.553 2.691 -1.384) 3.401 14.428 ( 2.793 -4.837 -3.132) 6.404 14.518 ( 3.604 -6.243 -2.746) 7.714 14.686 ( -2.144 3.714 3.071) 5.275 14.765 ( 1.124 -1.946 10.574) 10.810 14.778 ( 0.840 -1.454 9.912) 10.053 15.228 ( -1.045 1.811 -9.069) 9.307 15.268 ( -0.925 1.602 -5.542) 5.842 15.335 ( 2.261 -3.915 -12.756) 13.534 15.589 ( -3.312 5.737 18.025) 19.204 15.785 ( 4.504 -7.802 11.723) 14.784 16.367 ( -3.378 5.850 -7.396) 10.017 16.459 ( 0.530 -0.917 -2.436) 2.656 16.677 ( 2.143 -3.712 0.376) 4.303 16.696 ( 1.154 -1.999 0.576) 2.379 17.422 ( -1.755 3.040 -0.869) 3.616 17.629 ( -1.521 2.635 1.100) 3.236 17.691 ( -0.218 0.378 4.307) 4.329 17.716 ( 1.178 -2.040 3.461) 4.187 19.795 ( -3.192 5.529 -1.316) 6.518 19.925 ( 2.836 -4.912 -4.476) 7.226 ======================= Grid point 218 (37/58) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -0.000 -0.000 38.974) 38.974 1.583 ( 0.000 -0.000 38.974) 38.974 2.263 ( 0.000 -0.000 -32.405) 32.405 2.263 ( 0.000 0.000 -32.405) 32.405 2.597 ( -0.000 -0.000 63.952) 63.952 3.700 ( 0.000 0.000 -51.082) 51.082 4.855 ( 0.000 0.000 9.151) 9.151 5.069 ( -0.000 0.000 -13.998) 13.998 5.719 ( 0.000 -0.000 11.911) 11.911 5.719 ( 0.000 0.000 11.911) 11.911 5.932 ( -0.000 -0.000 -10.433) 10.433 5.932 ( 0.000 0.000 -10.433) 10.433 6.751 ( 0.000 0.000 9.542) 9.542 6.751 ( 0.000 0.000 9.542) 9.542 6.831 ( -0.000 -0.000 5.440) 5.440 6.831 ( 0.000 0.000 5.440) 5.440 6.934 ( -0.000 0.000 0.672) 0.672 6.934 ( 0.000 -0.000 0.672) 0.672 7.161 ( 0.000 -0.000 -13.337) 13.337 7.161 ( 0.000 -0.000 -13.337) 13.337 7.177 ( 0.000 0.000 7.301) 7.301 7.282 ( -0.000 -0.000 -4.034) 4.034 7.820 ( 0.000 -0.000 6.309) 6.309 7.820 ( 0.000 -0.000 6.309) 6.309 7.918 ( 0.000 0.000 10.872) 10.872 8.002 ( 0.000 0.000 -11.519) 11.519 8.002 ( 0.000 -0.000 -11.519) 11.519 8.143 ( -0.000 0.000 -12.425) 12.425 8.729 ( 0.000 0.000 4.858) 4.858 8.729 ( 0.000 -0.000 4.858) 4.858 8.788 ( 0.000 -0.000 -1.351) 1.351 8.788 ( 0.000 0.000 -1.351) 1.351 9.690 ( 0.000 -0.000 3.166) 3.166 9.690 ( 0.000 0.000 3.166) 3.166 9.711 ( 0.000 0.000 15.761) 15.761 9.766 ( 0.000 -0.000 -4.706) 4.706 9.766 ( 0.000 -0.000 -4.706) 4.706 10.003 ( 0.000 0.000 -14.311) 14.311 10.172 ( 0.000 -0.000 5.704) 5.704 10.172 ( 0.000 0.000 5.704) 5.704 10.206 ( 0.000 0.000 13.693) 13.693 10.266 ( -0.000 0.000 -4.056) 4.056 10.266 ( 0.000 0.000 -4.056) 4.056 10.431 ( -0.000 -0.000 -10.170) 10.170 10.787 ( -0.000 -0.000 23.573) 23.573 11.267 ( 0.000 0.000 -24.218) 24.218 12.125 ( -0.000 0.000 8.831) 8.831 12.341 ( 0.000 0.000 -14.994) 14.994 12.361 ( 0.000 -0.000 1.619) 1.619 12.361 ( 0.000 -0.000 1.619) 1.619 12.400 ( -0.000 0.000 -2.530) 2.530 12.400 ( 0.000 -0.000 -2.530) 2.530 12.640 ( 0.000 -0.000 1.396) 1.396 12.640 ( 0.000 0.000 1.396) 1.396 12.656 ( 0.000 0.000 -0.347) 0.347 12.656 ( -0.000 0.000 -0.347) 0.347 13.766 ( -0.000 -0.000 3.760) 3.760 13.766 ( 0.000 0.000 3.760) 3.760 13.832 ( 0.000 -0.000 -2.819) 2.819 13.832 ( 0.000 0.000 -2.819) 2.819 14.046 ( 0.000 0.000 1.471) 1.471 14.046 ( 0.000 -0.000 1.471) 1.471 14.086 ( -0.000 -0.000 -2.446) 2.446 14.086 ( 0.000 0.000 -2.446) 2.446 14.283 ( 0.000 0.000 0.499) 0.499 14.289 ( 0.000 -0.000 0.597) 0.597 14.565 ( -0.000 0.000 27.634) 27.634 15.066 ( 0.000 0.000 -24.293) 24.293 15.249 ( 0.000 -0.000 6.999) 6.999 15.249 ( 0.000 -0.000 6.999) 6.999 15.385 ( 0.000 -0.000 -6.881) 6.881 15.385 ( 0.000 0.000 -6.881) 6.881 15.531 ( 0.000 0.000 3.396) 3.396 15.596 ( -0.000 0.000 -3.217) 3.217 16.135 ( 0.000 0.000 1.757) 1.757 16.148 ( -0.000 0.000 0.030) 0.030 16.924 ( 0.000 -0.000 5.068) 5.068 16.924 ( 0.000 0.000 5.068) 5.068 17.020 ( 0.000 0.000 -4.787) 4.787 17.020 ( 0.000 0.000 -4.787) 4.787 17.500 ( -0.000 -0.000 3.487) 3.487 17.561 ( 0.000 0.000 -2.851) 2.851 20.724 ( 0.000 -0.000 1.637) 1.637 20.756 ( 0.000 0.000 -1.648) 1.648 ======================= Grid point 219 (38/58) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 5.998 4.597 35.448) 36.244 1.821 ( 15.939 -1.044 36.603) 39.936 2.190 ( 1.700 1.255 -33.224) 33.291 2.459 ( 7.665 7.732 -29.972) 31.888 2.896 ( 20.736 16.494 51.779) 58.165 3.797 ( 8.085 3.984 -41.361) 42.332 4.864 ( 1.096 0.052 8.843) 8.911 5.062 ( -1.345 0.662 -11.955) 12.048 5.691 ( 3.456 -5.149 7.922) 10.061 5.837 ( -5.137 3.921 -3.835) 7.515 5.847 ( 2.898 7.333 6.452) 10.188 6.048 ( 6.877 -2.456 -10.354) 12.670 6.656 ( -6.205 -5.197 10.407) 13.184 6.714 ( -6.134 -2.081 12.479) 14.059 6.790 ( -2.439 -4.170 6.852) 8.383 6.807 ( -2.391 -2.672 -1.415) 3.855 6.850 ( 0.254 -2.692 -2.389) 3.608 6.980 ( -4.185 2.857 -3.077) 5.929 7.063 ( 0.963 -2.756 -1.838) 3.450 7.102 ( -5.395 3.019 -10.039) 11.790 7.312 ( 5.630 0.927 -0.715) 5.751 7.330 ( 3.278 1.741 -2.521) 4.487 7.658 ( -10.725 1.191 7.188) 12.966 7.858 ( -7.142 -7.043 -10.279) 14.362 7.880 ( 7.117 -5.757 3.640) 9.851 8.022 ( 2.876 3.170 -0.153) 4.283 8.058 ( 4.904 3.872 -3.312) 7.072 8.193 ( 0.494 4.732 -8.419) 9.670 8.705 ( -1.887 3.014 4.875) 6.034 8.776 ( 1.651 -3.711 -1.786) 4.437 8.835 ( 8.726 -0.551 5.203) 10.174 8.940 ( 6.555 9.765 -6.013) 13.209 9.518 ( -9.896 -4.696 10.220) 14.981 9.619 ( -5.635 -4.046 -0.086) 6.938 9.650 ( -3.257 -2.767 2.712) 5.061 9.716 ( -2.096 -2.449 -2.567) 4.121 9.800 ( -7.154 -4.918 -4.415) 9.740 9.824 ( -2.802 0.357 -5.913) 6.553 10.136 ( -1.142 -4.731 4.089) 6.356 10.174 ( -2.527 -0.296 0.998) 2.733 10.281 ( 3.262 2.241 7.146) 8.169 10.341 ( 7.310 3.012 2.248) 8.219 10.424 ( 4.684 7.242 -3.053) 9.149 10.512 ( 4.534 1.774 -7.692) 9.103 10.703 ( -4.405 -1.814 20.486) 21.032 11.085 ( -11.742 -6.194 -15.697) 20.559 11.919 ( -11.432 -7.839 8.206) 16.108 12.147 ( -8.736 -5.442 -17.364) 20.185 12.334 ( 1.074 -2.144 0.615) 2.476 12.365 ( -1.585 0.381 -2.447) 2.940 12.460 ( 2.131 5.095 -0.000) 5.522 12.466 ( 5.532 1.671 -0.445) 5.796 12.638 ( 0.663 0.627 2.577) 2.734 12.680 ( 1.204 3.647 -1.975) 4.318 12.858 ( 12.470 4.189 1.127) 13.203 12.890 ( 12.189 6.121 -2.389) 13.848 13.632 ( -10.259 -2.963 3.047) 11.104 13.672 ( -6.605 -8.187 0.403) 10.526 13.757 ( -0.648 -3.845 3.435) 5.197 13.843 ( -3.161 4.392 -4.319) 6.923 13.950 ( -3.982 0.410 4.767) 6.225 14.039 ( -0.766 -1.800 -4.234) 4.664 14.080 ( 2.852 -3.704 1.608) 4.943 14.113 ( 0.638 2.202 -1.394) 2.683 14.401 ( 6.724 4.147 2.835) 8.394 14.448 ( 6.583 3.589 -1.283) 7.606 14.670 ( 9.093 4.610 18.542) 21.160 15.037 ( -3.250 -1.206 -15.028) 15.422 15.161 ( -5.520 -6.990 5.160) 10.293 15.225 ( -2.848 0.933 -3.781) 4.825 15.358 ( 0.625 0.816 -2.009) 2.257 15.386 ( 2.072 1.773 -4.346) 5.131 15.540 ( 0.492 -1.871 2.681) 3.306 15.593 ( -2.627 -0.230 -2.866) 3.895 16.264 ( 10.923 3.351 5.310) 12.599 16.347 ( 13.041 10.594 -3.192) 17.102 16.861 ( -5.345 -0.368 4.296) 6.867 16.936 ( 2.107 -2.305 5.010) 5.904 16.961 ( -3.647 -3.158 -6.190) 7.848 17.033 ( -0.708 3.259 -5.004) 6.014 17.580 ( 5.514 3.955 3.477) 7.624 17.626 ( 5.372 1.886 -1.185) 5.815 20.429 ( -21.130 -11.009 13.181) 27.229 20.598 ( -11.956 -7.637 -6.011) 15.408 ======================= Grid point 220 (39/58) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 25.201 9.769 20.763) 34.082 2.115 ( 18.798 -0.503 29.297) 34.812 2.367 ( 11.820 9.954 -27.300) 31.371 2.660 ( 5.540 9.243 -26.973) 29.046 3.487 ( 23.660 19.076 32.680) 44.628 4.015 ( 10.473 4.993 -21.653) 24.566 4.889 ( 2.124 -1.232 7.036) 7.452 5.032 ( -3.776 1.989 -7.364) 8.512 5.712 ( 3.933 -5.042 2.123) 6.738 5.750 ( -6.568 3.752 -1.765) 7.768 5.974 ( -0.322 3.844 3.198) 5.011 6.063 ( -0.332 -4.802 -5.081) 6.999 6.464 ( -8.439 -4.706 9.909) 13.841 6.547 ( -4.083 -8.291 5.278) 10.643 6.659 ( -8.129 0.739 2.564) 8.556 6.760 ( -2.704 -5.881 0.523) 6.493 6.834 ( 3.050 -6.228 -0.341) 6.943 6.933 ( -4.708 4.579 -3.248) 7.327 7.018 ( 0.063 -1.026 -0.978) 1.419 7.117 ( 0.543 2.708 -7.109) 7.627 7.379 ( 1.239 -0.390 4.236) 4.431 7.399 ( 2.438 1.596 0.846) 3.034 7.537 ( -4.103 1.756 -1.753) 4.795 7.627 ( -10.743 -4.873 -8.112) 14.316 7.989 ( 10.406 -5.388 5.283) 12.854 8.109 ( 2.091 5.782 -2.655) 6.697 8.188 ( 5.941 2.594 -1.912) 6.759 8.255 ( 1.542 5.986 -5.194) 8.074 8.686 ( -4.037 2.638 3.628) 6.034 8.742 ( -1.244 -4.535 -1.690) 4.997 8.952 ( 3.542 -3.356 4.063) 6.349 9.049 ( -3.754 2.472 -5.174) 6.854 9.395 ( -1.380 1.524 3.588) 4.136 9.480 ( -3.088 -4.062 -4.132) 6.566 9.567 ( -1.831 -2.473 2.305) 3.844 9.618 ( -2.873 -2.295 -2.687) 4.554 9.682 ( -1.563 -4.495 5.671) 7.403 9.811 ( -2.911 2.713 -7.328) 8.339 10.070 ( 0.089 -5.315 2.312) 5.797 10.116 ( -4.397 1.956 -2.212) 5.297 10.316 ( -8.197 -7.589 5.693) 12.538 10.331 ( -1.308 -1.495 10.943) 11.122 10.446 ( -9.461 -2.806 -4.164) 10.711 10.467 ( 3.544 0.447 0.179) 3.576 10.825 ( 6.028 13.072 3.876) 14.908 10.982 ( 4.670 -0.577 -8.707) 9.897 11.687 ( -8.017 -4.855 9.945) 13.666 11.975 ( -5.587 -5.714 -21.336) 22.784 12.328 ( 0.096 -2.342 -0.096) 2.346 12.337 ( -1.969 -0.334 -0.910) 2.195 12.526 ( -0.062 5.054 1.064) 5.165 12.553 ( 4.324 -1.666 -1.499) 4.871 12.707 ( 4.498 2.766 3.862) 6.542 12.789 ( 4.239 7.653 -4.825) 9.991 13.052 ( 6.615 1.556 0.802) 6.843 13.081 ( 5.977 1.378 -2.250) 6.534 13.442 ( -7.489 -1.787 3.474) 8.447 13.497 ( -4.754 -5.645 -1.907) 7.622 13.695 ( -1.863 -3.539 6.934) 8.005 13.802 ( -5.013 2.709 -3.712) 6.801 13.944 ( 2.048 0.113 4.972) 5.378 14.047 ( 1.394 1.610 -5.624) 6.014 14.078 ( 1.416 -2.823 4.580) 5.564 14.154 ( 1.958 0.873 -3.159) 3.818 14.514 ( 1.644 2.506 2.845) 4.132 14.535 ( 2.642 0.138 0.968) 2.817 14.846 ( 4.023 1.038 4.674) 6.254 14.948 ( -3.307 -1.062 -3.743) 5.106 15.035 ( -0.026 -5.370 6.375) 8.335 15.204 ( -0.962 0.778 -10.542) 10.614 15.371 ( -2.088 -1.323 1.254) 2.772 15.404 ( -4.499 -1.931 -2.105) 5.330 15.541 ( 0.559 0.229 0.658) 0.893 15.568 ( 4.401 3.962 -2.274) 6.344 16.489 ( 11.822 -1.613 10.737) 16.051 16.659 ( 7.606 8.405 -3.295) 11.805 16.757 ( -4.915 -0.445 2.230) 5.415 16.843 ( -7.980 1.655 -9.225) 12.310 16.976 ( 5.195 -0.206 5.923) 7.882 17.094 ( 3.620 4.880 -6.402) 8.826 17.713 ( 4.316 3.593 3.588) 6.664 17.742 ( 5.476 0.903 0.755) 5.601 19.991 ( -15.905 -7.057 19.208) 25.917 20.282 ( -12.637 -8.909 -11.873) 19.494 ======================= Grid point 221 (40/58) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 18.995 0.939 19.098) 26.952 2.510 ( 28.342 12.470 8.929) 32.226 2.743 ( 13.601 14.262 -16.259) 25.549 2.838 ( 7.222 8.091 -21.799) 24.348 4.003 ( 16.379 11.394 15.462) 25.242 4.205 ( 5.215 3.136 -5.332) 8.091 4.893 ( 0.966 -4.297 4.099) 6.017 4.971 ( -5.783 2.564 -3.757) 7.357 5.685 ( -3.610 4.223 2.663) 6.161 5.728 ( 2.546 -4.511 -1.770) 5.474 5.897 ( -6.567 -0.455 3.844) 7.623 5.990 ( -2.004 -4.338 -5.756) 7.481 6.306 ( -4.334 -5.326 8.610) 11.013 6.411 ( -5.897 -4.099 -2.339) 7.553 6.552 ( -7.761 3.600 6.328) 10.641 6.616 ( -6.497 -6.479 2.471) 9.502 6.805 ( 4.426 -6.852 0.470) 8.171 6.895 ( -4.494 2.918 -4.765) 7.170 7.081 ( 9.280 -7.548 0.945) 11.999 7.154 ( -2.257 6.072 -4.975) 8.168 7.335 ( -2.558 -1.273 4.842) 5.622 7.407 ( -9.785 -1.046 -1.102) 9.903 7.458 ( 1.407 2.290 0.567) 2.747 7.557 ( 2.663 2.124 -7.819) 8.529 8.122 ( 10.362 -4.487 3.752) 11.899 8.198 ( 0.749 7.169 -2.335) 7.577 8.315 ( 4.202 4.317 1.360) 6.176 8.359 ( 4.118 2.192 -3.233) 5.676 8.628 ( -4.146 1.215 0.841) 4.402 8.654 ( -2.804 -4.141 -2.305) 5.507 8.887 ( -1.861 -5.946 0.152) 6.232 8.941 ( -7.820 0.726 -5.100) 9.364 9.367 ( -8.510 1.552 1.925) 8.862 9.389 ( -1.451 -7.298 0.297) 7.447 9.582 ( 2.884 -1.997 5.764) 6.748 9.608 ( 2.331 0.437 0.901) 2.537 9.638 ( 1.041 0.848 4.003) 4.223 9.779 ( -2.244 -0.123 -7.301) 7.639 10.037 ( -5.487 -1.789 3.163) 6.581 10.073 ( 3.896 -1.153 -1.940) 4.503 10.128 ( -5.130 0.645 -0.299) 5.179 10.190 ( -7.844 -5.330 -3.800) 10.217 10.338 ( -1.331 -2.238 11.335) 11.630 10.505 ( -0.309 0.770 -3.668) 3.761 11.020 ( 2.819 7.387 0.543) 7.925 11.078 ( 3.252 1.731 -4.229) 5.609 11.534 ( -6.280 -0.651 10.503) 12.255 11.832 ( -2.958 -7.587 -21.201) 22.711 12.282 ( -3.981 1.070 0.577) 4.162 12.290 ( -0.892 -4.195 -0.054) 4.289 12.580 ( 2.689 1.900 1.161) 3.492 12.615 ( 2.759 2.107 -2.466) 4.258 12.800 ( 2.684 2.143 4.547) 5.699 12.904 ( 1.383 3.098 -6.232) 7.096 13.158 ( 4.227 2.690 0.378) 5.024 13.170 ( 4.970 -0.428 -0.765) 5.047 13.356 ( -2.066 0.253 2.623) 3.349 13.401 ( -2.188 -2.041 -1.922) 3.556 13.643 ( -0.741 -2.169 6.783) 7.159 13.745 ( -3.543 1.694 -3.200) 5.066 14.001 ( 4.128 -0.211 4.537) 6.137 14.066 ( 0.922 0.493 1.199) 1.591 14.119 ( 3.062 0.734 -1.610) 3.536 14.189 ( 1.128 0.646 -4.874) 5.044 14.514 ( -0.620 -1.790 3.439) 3.926 14.566 ( 0.471 0.899 -1.397) 1.727 14.836 ( -1.575 -0.969 4.076) 4.476 14.907 ( -2.104 -2.170 -2.933) 4.211 15.040 ( 2.413 -2.364 6.684) 7.489 15.156 ( -4.826 -5.849 -3.929) 8.541 15.253 ( -6.465 -2.502 -0.277) 6.938 15.287 ( -2.487 -0.553 -5.002) 5.614 15.611 ( 3.176 3.671 5.473) 7.316 15.719 ( 6.403 4.492 -5.614) 9.627 16.549 ( -0.454 -6.307 6.772) 9.265 16.644 ( -8.619 0.204 -1.817) 8.811 16.744 ( 3.896 1.492 4.297) 5.989 16.841 ( 0.326 4.650 -5.576) 7.268 17.132 ( 8.123 5.534 4.537) 10.825 17.244 ( 6.782 5.234 -6.595) 10.811 17.779 ( 0.819 0.560 4.083) 4.202 17.812 ( 2.048 -0.392 1.016) 2.319 19.763 ( -5.853 -2.168 14.519) 15.804 20.030 ( -7.723 -5.580 -12.923) 16.055 ======================= Grid point 222 (41/58) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 11.531 2.637 9.552) 15.204 2.901 ( -0.007 4.673 -10.408) 11.409 3.106 ( 24.007 10.408 1.287) 26.198 3.214 ( 16.288 11.295 -9.955) 22.181 4.199 ( -2.887 -1.522 5.734) 6.597 4.255 ( 2.017 1.068 0.229) 2.294 4.837 ( -0.145 -6.858 2.742) 7.388 4.889 ( -6.350 3.015 -2.300) 7.396 5.716 ( 1.676 1.399 2.969) 3.685 5.747 ( 1.851 1.294 -0.960) 2.454 5.833 ( -0.773 4.815 5.244) 7.161 5.967 ( 5.246 -3.823 -7.962) 10.273 6.198 ( -2.375 -5.257 5.770) 8.159 6.271 ( -7.894 0.817 -1.087) 8.011 6.381 ( -6.878 -8.564 5.661) 12.357 6.451 ( -10.723 1.630 -0.398) 10.853 6.845 ( 5.036 -5.396 2.164) 7.692 6.881 ( -0.841 4.998 -1.150) 5.198 7.052 ( -0.142 -10.659 1.492) 10.764 7.120 ( -7.392 3.362 -4.620) 9.343 7.337 ( -3.255 8.583 3.291) 9.752 7.352 ( 8.100 -5.245 3.329) 10.208 7.488 ( 1.805 -2.677 2.394) 4.019 7.637 ( 1.003 5.842 -10.926) 12.430 8.240 ( 5.485 -0.537 3.723) 6.651 8.282 ( 1.756 4.958 -0.294) 5.268 8.350 ( -1.581 0.518 4.607) 4.898 8.439 ( 2.476 0.353 -3.977) 4.698 8.566 ( 1.133 -5.914 -0.992) 6.103 8.607 ( -3.531 2.298 -4.463) 6.137 8.826 ( -0.424 -0.640 -0.440) 0.885 8.873 ( -1.892 1.875 -5.647) 6.244 9.202 ( -7.516 -1.033 3.833) 8.500 9.266 ( -3.884 -7.164 -2.567) 8.543 9.566 ( -0.617 -0.177 11.454) 11.472 9.679 ( 1.541 0.249 2.449) 2.904 9.715 ( 5.780 0.405 0.660) 5.832 9.753 ( 1.210 -0.279 -3.597) 3.805 9.929 ( -4.794 -1.144 1.032) 5.035 9.992 ( -6.498 -4.299 -1.155) 7.876 10.117 ( -0.890 4.175 0.429) 4.290 10.214 ( 6.711 3.861 -7.563) 10.824 10.288 ( -0.751 -3.851 10.893) 11.578 10.472 ( -3.843 -0.193 -6.571) 7.615 11.054 ( -0.453 -1.874 1.623) 2.521 11.096 ( -3.112 1.531 -2.695) 4.392 11.476 ( -5.092 8.351 8.008) 12.641 11.736 ( 2.174 -9.819 -18.967) 21.468 12.229 ( -0.920 -2.672 1.206) 3.072 12.238 ( -2.806 0.963 0.314) 2.984 12.650 ( 2.432 2.450 0.966) 3.585 12.680 ( 2.464 0.888 -2.150) 3.388 12.840 ( -0.010 1.849 3.294) 3.778 12.919 ( -0.156 -0.244 -4.789) 4.798 13.227 ( 1.750 0.085 1.127) 2.083 13.244 ( 2.348 0.842 -0.437) 2.532 13.360 ( 1.271 0.872 0.983) 1.828 13.374 ( -0.012 0.379 -0.472) 0.605 13.615 ( -0.164 -2.445 5.658) 6.166 13.726 ( -1.632 3.103 -5.030) 6.131 14.066 ( 5.144 -2.813 3.593) 6.876 14.133 ( 1.437 6.575 -2.508) 7.183 14.153 ( 3.770 -4.453 1.507) 6.026 14.218 ( 0.509 2.803 -3.853) 4.792 14.500 ( 2.308 -3.155 5.094) 6.421 14.576 ( -0.903 2.280 -2.288) 3.354 14.766 ( -6.785 -1.251 2.227) 7.250 14.811 ( -4.029 -6.003 -3.021) 7.836 14.963 ( -4.452 -4.600 6.678) 9.250 15.060 ( -0.771 -0.125 -1.538) 1.725 15.157 ( -0.037 -5.252 3.142) 6.120 15.294 ( -0.117 2.879 -10.099) 10.502 15.692 ( 1.201 4.298 9.475) 10.473 15.850 ( 5.166 0.857 -6.989) 8.733 16.463 ( -3.533 -1.152 2.591) 4.530 16.505 ( -7.135 0.961 -1.844) 7.432 16.834 ( 3.967 0.715 3.618) 5.417 16.877 ( 0.787 0.841 -0.638) 1.317 17.316 ( 6.465 4.856 3.558) 8.834 17.391 ( 4.676 2.731 -3.857) 6.648 17.763 ( -1.031 -2.190 4.625) 5.220 17.812 ( -1.158 -0.284 -0.032) 1.193 19.707 ( -0.256 -0.454 8.468) 8.484 19.897 ( -3.787 -1.928 -10.676) 11.490 ======================= Grid point 223 (42/58) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 0.187 -0.324 1.922) 1.958 2.899 ( -0.756 1.310 -3.519) 3.831 3.404 ( -1.016 1.759 -0.837) 2.197 3.459 ( 1.768 -3.062 -6.655) 7.536 4.106 ( -0.850 1.472 9.135) 9.291 4.252 ( 0.893 -1.547 -5.860) 6.126 4.795 ( 3.469 -6.008 3.052) 7.580 4.843 ( -3.092 5.355 -1.702) 6.414 5.723 ( -0.718 1.243 3.367) 3.660 5.770 ( -1.333 2.309 -1.368) 2.997 5.978 ( 1.205 -2.088 7.600) 7.973 5.995 ( -0.471 0.816 0.862) 1.278 6.103 ( 4.180 -7.240 0.624) 8.383 6.199 ( 0.561 -0.972 -3.092) 3.289 6.295 ( -0.047 0.081 -1.907) 1.909 6.298 ( -4.899 8.485 -1.005) 9.849 6.857 ( 2.172 -3.762 4.640) 6.357 6.914 ( -1.367 2.368 -0.835) 2.859 6.986 ( 4.284 -7.421 3.299) 9.182 7.058 ( -3.792 6.569 -4.399) 8.768 7.354 ( -5.098 8.830 4.699) 11.227 7.442 ( 4.009 -6.943 -3.820) 8.881 7.463 ( 5.767 -9.988 10.175) 15.380 7.677 ( -4.855 8.409 -11.738) 15.234 8.281 ( -0.477 0.827 6.745) 6.812 8.330 ( -1.413 2.447 -0.162) 2.830 8.343 ( 0.360 -0.624 2.616) 2.713 8.446 ( 1.637 -2.835 -7.232) 7.938 8.565 ( 0.978 -1.695 -0.507) 2.021 8.565 ( -0.334 0.578 -2.245) 2.342 8.850 ( 0.369 -0.640 -2.102) 2.228 8.854 ( -2.053 3.556 -3.230) 5.224 9.144 ( 1.705 -2.952 0.755) 3.492 9.169 ( -0.340 0.589 -1.513) 1.659 9.564 ( -0.199 0.345 12.122) 12.129 9.688 ( 0.962 -1.667 -0.004) 1.924 9.757 ( 1.850 -3.204 2.652) 4.551 9.846 ( 1.404 -2.432 2.589) 3.819 9.850 ( -1.992 3.450 -9.496) 10.298 9.874 ( -0.907 1.570 3.243) 3.715 10.141 ( -2.024 3.506 5.773) 7.051 10.253 ( 1.689 -2.926 7.254) 8.003 10.355 ( 0.664 -1.149 -12.543) 12.613 10.381 ( -1.763 3.054 -3.956) 5.300 11.031 ( 0.635 -1.099 1.893) 2.279 11.062 ( -0.772 1.337 -1.484) 2.141 11.482 ( -6.591 11.417 5.813) 14.407 11.708 ( 6.012 -10.413 -17.331) 21.094 12.207 ( 1.985 -3.438 1.534) 4.256 12.218 ( -2.260 3.915 0.306) 4.531 12.691 ( -1.988 3.442 0.463) 4.002 12.704 ( 1.854 -3.211 -1.156) 3.884 12.848 ( -0.969 1.678 2.544) 3.197 12.914 ( 0.243 -0.421 -4.265) 4.293 13.238 ( 0.320 -0.554 1.553) 1.680 13.264 ( -0.496 0.859 -1.026) 1.427 13.381 ( 0.466 -0.808 1.004) 1.371 13.384 ( -0.160 0.277 0.643) 0.718 13.597 ( 1.322 -2.290 5.478) 6.083 13.731 ( -1.753 3.037 -7.827) 8.576 14.110 ( 0.565 -0.979 3.893) 4.054 14.137 ( 3.417 -5.918 -0.286) 6.840 14.222 ( -1.351 2.340 -1.248) 2.976 14.242 ( -0.654 1.133 -2.786) 3.078 14.517 ( 1.850 -3.203 5.819) 6.896 14.596 ( 0.601 -1.041 -1.774) 2.143 14.638 ( -3.548 6.145 2.965) 7.690 14.719 ( 2.298 -3.980 -5.882) 7.465 14.914 ( 1.127 -1.953 8.607) 8.897 15.052 ( -2.814 4.874 -5.222) 7.677 15.134 ( 4.688 -8.119 6.792) 11.577 15.310 ( -1.532 2.653 -11.701) 12.095 15.727 ( -1.950 3.377 11.250) 11.906 15.901 ( 1.656 -2.868 -7.137) 7.868 16.432 ( -3.571 6.185 0.061) 7.142 16.436 ( 0.151 -0.262 -0.192) 0.358 16.880 ( -0.011 0.019 1.754) 1.754 16.883 ( 0.721 -1.248 1.391) 2.003 17.423 ( -1.355 2.347 1.081) 2.918 17.431 ( 1.322 -2.290 0.583) 2.708 17.735 ( 1.312 -2.273 4.575) 5.275 17.793 ( -0.922 1.596 -1.045) 2.119 19.709 ( 0.528 -0.915 5.595) 5.694 19.854 ( -0.515 0.893 -8.958) 9.017 ======================= Grid point 230 (43/58) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 8.713 15.091 28.289) 33.226 1.927 ( 7.358 12.745 32.093) 35.306 2.315 ( 6.930 12.003 -30.439) 33.446 2.670 ( 6.642 11.504 -23.360) 26.873 3.375 ( 15.729 27.243 35.598) 47.505 3.938 ( 5.430 9.406 -29.527) 31.461 4.865 ( -0.029 -0.051 7.095) 7.095 5.081 ( 0.495 0.857 -9.964) 10.013 5.624 ( -0.907 -1.571 3.884) 4.287 5.892 ( 0.204 0.353 -2.775) 2.805 5.989 ( -1.111 -1.925 -6.558) 6.924 6.000 ( 2.839 4.918 4.948) 7.532 6.508 ( -7.117 -12.327 9.115) 16.902 6.530 ( -3.917 -6.784 12.316) 14.596 6.730 ( -5.125 -8.877 -4.731) 11.289 6.756 ( -0.910 -1.575 5.481) 5.775 6.764 ( -1.704 -2.951 3.034) 4.563 6.998 ( -1.337 -2.315 -6.406) 6.942 7.019 ( 0.697 1.207 -3.901) 4.142 7.192 ( 2.225 3.853 -5.235) 6.870 7.332 ( 0.389 0.674 2.841) 2.946 7.377 ( 1.786 3.094 0.672) 3.635 7.621 ( -3.524 -6.104 -1.153) 7.142 7.695 ( -4.766 -8.255 -12.342) 15.594 7.832 ( 2.031 3.517 8.556) 9.471 8.089 ( 2.297 3.978 4.044) 6.120 8.161 ( 3.511 6.081 -7.637) 10.375 8.301 ( 2.806 4.860 -5.992) 8.209 8.694 ( -2.235 -3.871 -2.227) 4.994 8.808 ( -0.035 -0.060 2.065) 2.066 8.837 ( 2.382 4.126 6.805) 8.307 9.101 ( 1.786 3.094 -5.977) 6.963 9.417 ( -1.405 -2.434 5.901) 6.536 9.480 ( -4.491 -7.778 -4.644) 10.111 9.582 ( -1.704 -2.952 2.823) 4.426 9.629 ( -3.377 -5.848 -0.320) 6.761 9.691 ( -0.625 -1.082 1.182) 1.720 9.896 ( 1.285 2.226 -7.021) 7.477 10.015 ( -3.316 -5.743 1.782) 6.867 10.113 ( -2.232 -3.866 3.044) 5.403 10.362 ( -5.738 -9.938 6.561) 13.219 10.376 ( 1.534 2.657 1.616) 3.468 10.407 ( 0.870 1.507 8.776) 8.947 10.511 ( -2.301 -3.985 -5.859) 7.450 10.846 ( 8.262 14.310 4.645) 17.165 10.948 ( -2.047 -3.546 -13.098) 13.723 11.729 ( -5.297 -9.175 10.561) 14.959 11.990 ( -5.102 -8.837 -19.122) 21.674 12.328 ( 0.233 0.404 0.200) 0.507 12.399 ( 1.176 2.037 0.093) 2.354 12.422 ( -2.505 -4.339 -2.045) 5.412 12.560 ( 3.430 5.942 0.741) 6.901 12.726 ( 1.218 2.110 -3.273) 4.080 12.769 ( 5.024 8.702 -2.899) 10.458 12.996 ( 4.061 7.033 2.784) 8.585 13.023 ( 3.301 5.718 -0.205) 6.606 13.509 ( -4.029 -6.978 -1.417) 8.181 13.521 ( -4.042 -7.000 4.303) 9.157 13.679 ( -1.971 -3.413 4.458) 5.950 13.875 ( -0.770 -1.334 -5.625) 5.832 13.950 ( -0.491 -0.850 4.735) 4.836 13.998 ( -1.343 -2.326 4.660) 5.379 14.043 ( 1.494 2.588 -5.887) 6.602 14.165 ( 1.576 2.730 1.445) 3.468 14.510 ( 1.122 1.943 0.428) 2.284 14.514 ( 3.273 5.669 3.523) 7.434 14.802 ( 3.578 6.198 7.656) 10.480 14.973 ( -5.044 -8.736 6.372) 11.932 14.991 ( -1.912 -3.311 -6.856) 7.850 15.217 ( -0.948 -1.643 -6.436) 6.710 15.448 ( 1.235 2.139 -1.366) 2.822 15.463 ( 3.623 6.276 -0.632) 7.274 15.485 ( 0.061 0.106 -0.566) 0.579 15.530 ( -2.940 -5.093 -1.770) 6.141 16.361 ( 2.916 5.051 8.049) 9.940 16.624 ( 6.791 11.763 -1.461) 13.661 16.825 ( -2.037 -3.529 2.179) 4.621 16.905 ( 0.152 0.263 4.188) 4.199 16.929 ( 1.246 2.159 -11.655) 11.919 17.097 ( 1.991 3.449 -5.472) 6.768 17.688 ( 2.215 3.837 1.076) 4.559 17.692 ( 3.372 5.841 3.951) 7.816 20.113 ( -9.734 -16.859 18.955) 27.171 20.352 ( -8.459 -14.651 -11.087) 20.227 ======================= Grid point 231 (44/58) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 19.855 15.789 18.958) 31.669 2.278 ( 15.845 16.176 18.063) 28.966 2.651 ( 13.494 17.746 -21.455) 30.941 2.878 ( 3.530 11.532 -18.336) 21.946 3.873 ( 14.130 17.087 19.376) 29.446 4.131 ( 6.754 5.812 -12.759) 15.562 4.853 ( -0.249 -2.347 3.907) 4.564 5.077 ( -2.887 1.891 -5.087) 6.147 5.619 ( 2.664 -3.067 -1.525) 4.339 5.837 ( -7.604 2.348 1.039) 8.025 5.937 ( -1.694 -5.699 -0.947) 6.021 5.985 ( -2.724 -6.171 2.521) 7.201 6.328 ( -5.857 -3.205 5.243) 8.489 6.463 ( 4.049 -2.684 6.133) 7.823 6.538 ( -4.452 -9.609 -2.137) 10.803 6.667 ( -5.541 -3.386 4.491) 7.895 6.744 ( 1.709 -3.353 5.293) 6.494 6.914 ( -2.476 -7.272 -5.401) 9.390 7.037 ( -3.470 4.435 -0.666) 5.671 7.228 ( -2.096 4.009 -1.259) 4.695 7.324 ( 0.056 -5.438 3.729) 6.594 7.446 ( 2.103 2.846 1.926) 4.028 7.526 ( -1.953 -0.774 -7.855) 8.131 7.558 ( -3.028 -2.233 -9.028) 9.780 7.954 ( 6.845 3.705 5.181) 9.350 8.204 ( 5.595 5.000 4.141) 8.571 8.281 ( 3.546 5.113 -5.961) 8.617 8.383 ( 0.592 5.803 -1.640) 6.060 8.588 ( -2.392 -7.926 -3.139) 8.854 8.747 ( -4.047 -1.809 -0.757) 4.497 8.882 ( -1.613 -0.953 2.786) 3.358 9.058 ( -4.149 -1.255 -2.688) 5.100 9.355 ( -3.156 -3.677 -1.952) 5.224 9.455 ( 2.513 0.474 -0.593) 2.625 9.530 ( -1.829 -1.674 3.785) 4.525 9.584 ( 1.308 -0.438 1.960) 2.397 9.653 ( -2.557 -0.410 5.178) 5.790 9.869 ( -6.444 1.307 -4.622) 8.037 9.978 ( 4.188 -0.545 -3.008) 5.185 10.081 ( 1.422 -3.947 1.773) 4.555 10.127 ( -4.152 -9.127 5.864) 11.616 10.279 ( -8.605 -6.701 -3.836) 11.561 10.406 ( -4.730 1.850 6.172) 7.993 10.493 ( 2.961 0.736 2.321) 3.834 10.957 ( 2.966 -1.055 -9.656) 10.157 11.101 ( 4.181 9.810 -2.595) 10.975 11.585 ( -2.986 -3.639 13.839) 14.618 11.811 ( -4.753 -9.861 -20.891) 23.585 12.281 ( -4.107 -2.633 -1.168) 5.017 12.361 ( -0.335 -2.102 0.996) 2.350 12.462 ( 3.773 1.663 -0.345) 4.138 12.686 ( 2.089 6.803 0.933) 7.177 12.768 ( 2.274 2.771 -1.594) 3.923 12.911 ( 2.183 3.620 -8.103) 9.139 13.093 ( 2.167 1.647 1.169) 2.962 13.123 ( 4.542 3.625 3.335) 6.700 13.402 ( -3.203 -1.921 1.215) 3.927 13.416 ( -2.052 -2.262 -0.171) 3.059 13.623 ( -0.698 -2.908 5.495) 6.256 13.812 ( -3.353 -1.785 -5.876) 6.997 13.953 ( 0.758 -0.521 5.134) 5.216 13.984 ( 2.999 -2.751 5.585) 6.911 14.121 ( 2.049 5.386 -6.211) 8.472 14.219 ( 0.802 3.943 1.557) 4.314 14.524 ( -0.965 0.078 0.783) 1.245 14.589 ( -0.233 3.433 2.260) 4.117 14.802 ( 0.161 -6.087 1.866) 6.369 14.913 ( -1.570 -1.923 0.536) 2.540 14.944 ( 2.540 -2.353 7.085) 7.885 15.169 ( -1.491 -4.388 -4.007) 6.126 15.349 ( -7.685 -4.747 0.644) 9.056 15.371 ( -5.624 -0.264 -0.472) 5.650 15.596 ( 3.880 6.492 -0.022) 7.563 15.659 ( 7.201 5.610 -4.373) 10.121 16.427 ( 3.817 -4.059 6.757) 8.758 16.701 ( -0.458 -2.056 -1.018) 2.340 16.763 ( -2.679 1.129 1.754) 3.395 16.897 ( -1.242 0.109 -3.210) 3.444 17.103 ( 5.210 12.462 -3.885) 14.055 17.197 ( 5.387 5.213 -6.560) 9.962 17.755 ( 2.295 0.657 3.255) 4.036 17.777 ( 1.796 1.751 3.911) 4.646 19.844 ( -7.121 -6.554 16.780) 19.370 20.089 ( -7.098 -8.978 -13.414) 17.633 ======================= Grid point 232 (45/58) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 12.787 14.164 12.333) 22.720 2.812 ( 24.122 17.068 4.750) 29.929 3.007 ( -1.459 10.737 -12.253) 16.356 3.086 ( 14.895 16.945 -12.355) 25.723 4.154 ( 6.074 2.901 6.379) 9.274 4.240 ( 1.596 -0.118 0.082) 1.602 4.796 ( -2.142 -5.278 1.207) 5.822 5.021 ( -5.340 1.837 -1.428) 5.825 5.654 ( 3.724 -1.113 -1.198) 4.068 5.723 ( -1.752 -3.499 2.691) 4.750 5.856 ( -0.056 -7.060 -5.770) 9.119 5.882 ( -1.497 -2.858 5.485) 6.363 6.202 ( -4.858 -3.499 3.197) 6.787 6.412 ( -5.127 0.316 2.700) 5.803 6.453 ( -8.328 -5.064 2.293) 10.013 6.587 ( -0.737 0.601 0.621) 1.136 6.708 ( 1.140 -3.407 1.886) 4.058 6.847 ( 6.103 -11.219 0.727) 12.792 7.003 ( -4.512 3.368 -0.024) 5.630 7.147 ( -1.555 -7.731 -0.152) 7.887 7.286 ( -0.422 -3.135 0.694) 3.239 7.462 ( -4.834 3.681 -2.903) 6.734 7.484 ( -1.281 3.417 1.579) 3.976 7.633 ( 5.924 5.161 -6.968) 10.502 8.136 ( 8.065 6.003 3.200) 10.551 8.322 ( 1.190 5.022 1.029) 5.262 8.389 ( 1.303 0.261 2.873) 3.166 8.422 ( 1.096 4.817 -1.381) 5.130 8.502 ( -0.166 -3.247 -3.326) 4.651 8.660 ( -2.324 -3.555 -2.394) 4.876 8.827 ( -2.535 1.039 -1.203) 2.992 8.971 ( -5.164 0.529 -6.003) 7.936 9.252 ( -4.090 -4.382 -1.927) 6.296 9.369 ( -8.904 -0.440 3.440) 9.556 9.576 ( 2.482 1.181 6.858) 7.388 9.611 ( 2.427 -0.645 3.270) 4.123 9.649 ( 3.115 0.230 7.053) 7.713 9.764 ( -4.001 -1.514 -3.630) 5.611 9.993 ( -3.394 -0.432 1.506) 3.739 10.034 ( -2.678 -7.616 -2.226) 8.375 10.120 ( 3.505 3.563 -3.077) 5.869 10.159 ( 3.681 0.545 -5.282) 6.461 10.326 ( -6.291 1.710 7.223) 9.730 10.517 ( -0.977 0.014 -0.787) 1.254 10.971 ( 2.750 -6.401 -3.235) 7.681 11.121 ( -2.564 -5.877 -2.821) 7.005 11.585 ( -0.190 4.672 6.717) 8.184 11.646 ( -2.054 -8.392 -17.043) 19.108 12.194 ( -1.280 -4.366 -1.176) 4.699 12.327 ( -3.069 1.410 1.634) 3.752 12.561 ( 5.015 2.275 -0.704) 5.552 12.748 ( -1.298 5.973 -1.784) 6.367 12.851 ( 2.204 2.934 2.117) 4.236 12.929 ( -0.832 0.167 -6.044) 6.103 13.148 ( 4.493 -0.718 0.515) 4.579 13.230 ( 2.468 2.782 2.623) 4.551 13.364 ( -0.559 0.470 0.853) 1.123 13.386 ( -0.781 -0.031 -1.067) 1.323 13.594 ( -0.532 -1.731 3.885) 4.287 13.759 ( -0.611 -1.559 -5.764) 6.002 13.951 ( 3.098 -3.311 3.794) 5.912 14.051 ( 4.439 0.593 6.053) 7.530 14.201 ( 0.137 6.653 -4.488) 8.026 14.269 ( -0.112 4.741 -0.273) 4.750 14.471 ( -2.904 -1.572 4.295) 5.417 14.608 ( -0.377 2.274 -0.482) 2.355 14.768 ( -0.365 -7.487 1.317) 7.611 14.837 ( -1.188 -2.586 1.321) 3.138 14.966 ( 2.678 -3.923 8.714) 9.924 15.030 ( -8.314 -5.911 0.102) 10.202 15.209 ( -3.421 -3.173 -3.317) 5.725 15.313 ( -1.825 2.271 -2.067) 3.572 15.719 ( 2.319 6.987 5.414) 9.139 15.808 ( 3.711 4.784 -6.744) 9.063 16.427 ( 2.316 -5.133 0.589) 5.662 16.633 ( -4.748 -1.137 -4.060) 6.350 16.770 ( 2.018 0.437 2.802) 3.481 16.872 ( -0.776 -1.024 -0.636) 1.434 17.275 ( 4.291 6.871 0.386) 8.110 17.363 ( 4.938 6.705 -4.719) 9.571 17.759 ( -1.057 -1.891 4.683) 5.160 17.805 ( 1.212 -0.684 2.484) 2.848 19.730 ( -2.554 -0.777 10.601) 10.932 19.937 ( -3.704 -3.408 -11.590) 12.636 ======================= Grid point 233 (46/58) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 4.486 12.796 3.503) 14.005 3.025 ( -6.978 7.750 -6.147) 12.105 3.328 ( 15.487 10.939 -1.779) 19.045 3.434 ( 5.869 10.271 -3.554) 12.352 4.144 ( -3.329 -3.427 7.275) 8.704 4.210 ( -0.444 -5.423 -3.045) 6.235 4.703 ( -0.324 -5.935 1.212) 6.067 4.952 ( -4.333 2.793 -0.249) 5.161 5.666 ( 2.984 -5.379 -0.176) 6.154 5.739 ( 0.910 -5.867 -2.931) 6.621 5.839 ( 10.383 -0.377 5.626) 11.815 5.950 ( 8.190 0.213 1.585) 8.345 6.082 ( -5.041 -4.081 0.593) 6.513 6.161 ( -11.186 -10.337 5.805) 16.300 6.416 ( -2.737 8.487 -1.963) 9.131 6.488 ( -7.885 2.734 -6.120) 10.349 6.773 ( 5.295 -3.468 5.018) 8.077 6.813 ( 3.136 -10.648 3.783) 11.727 6.971 ( -1.746 1.952 -0.628) 2.693 7.094 ( 2.112 -5.962 -1.840) 6.587 7.287 ( 3.835 -0.485 3.047) 4.922 7.392 ( -4.820 -0.540 -3.528) 5.998 7.502 ( -2.324 5.304 5.029) 7.670 7.780 ( 2.949 5.033 -6.051) 8.404 8.299 ( 2.070 5.028 1.473) 5.634 8.358 ( 0.274 0.474 2.327) 2.390 8.382 ( -0.766 4.630 0.891) 4.776 8.414 ( -3.103 -1.537 -4.231) 5.468 8.551 ( 1.703 4.166 1.614) 4.781 8.602 ( -1.540 -1.840 -0.050) 2.400 8.830 ( 1.031 0.734 -4.680) 4.848 8.909 ( -2.281 0.313 -6.222) 6.634 9.154 ( -3.906 0.346 -0.121) 3.923 9.230 ( -6.307 1.727 2.375) 6.957 9.569 ( -0.513 -0.435 12.194) 12.213 9.662 ( 0.738 -0.962 0.860) 1.487 9.693 ( 2.271 -1.793 4.906) 5.696 9.777 ( 5.078 1.689 -0.626) 5.388 9.896 ( -2.659 -4.691 1.677) 5.647 9.958 ( -4.463 3.254 -6.047) 8.190 10.192 ( 1.984 1.054 2.435) 3.314 10.246 ( -4.554 2.456 5.121) 7.280 10.290 ( 5.962 2.840 -10.286) 12.223 10.460 ( -4.349 -0.880 -2.329) 5.012 10.942 ( 3.180 -8.120 1.098) 8.789 11.009 ( 1.186 -9.755 -1.089) 9.887 11.523 ( 2.416 -9.924 -21.491) 23.795 11.663 ( -1.906 6.865 7.683) 10.478 12.155 ( 0.239 -2.028 -0.513) 2.105 12.295 ( -2.791 2.861 1.371) 4.225 12.655 ( 2.460 1.864 -0.807) 3.191 12.772 ( -1.921 4.431 -1.396) 5.028 12.887 ( -0.916 2.900 1.719) 3.494 12.914 ( -0.438 -0.362 -5.079) 5.110 13.218 ( 2.848 -0.152 0.864) 2.981 13.263 ( 0.822 0.117 0.792) 1.148 13.363 ( -0.014 -0.783 1.039) 1.301 13.384 ( 0.319 0.033 0.930) 0.984 13.565 ( -0.638 -1.023 3.256) 3.472 13.738 ( 0.889 -3.351 -8.400) 9.088 14.025 ( 6.022 0.512 5.181) 7.961 14.098 ( -0.027 -1.202 5.389) 5.521 14.271 ( 0.259 6.023 -3.937) 7.201 14.302 ( -1.984 5.088 -1.011) 5.554 14.445 ( 2.574 -1.866 5.345) 6.219 14.571 ( -3.571 -5.414 0.700) 6.524 14.684 ( 0.328 -0.106 -3.415) 3.433 14.781 ( -6.793 -1.399 3.784) 7.900 14.874 ( 0.432 -3.697 5.375) 6.538 14.980 ( 3.266 -4.805 7.472) 9.465 15.142 ( -2.681 0.614 -6.138) 6.726 15.326 ( 0.425 0.861 -4.523) 4.624 15.804 ( -0.839 6.571 9.841) 11.863 15.880 ( 0.440 2.623 -7.378) 7.843 16.420 ( 1.057 -2.034 -4.151) 4.742 16.548 ( -4.396 1.866 -5.305) 7.138 16.816 ( 3.861 -2.366 2.596) 5.220 16.851 ( 0.718 -3.393 2.038) 4.022 17.390 ( 2.916 2.332 0.169) 3.738 17.467 ( 0.480 4.225 0.361) 4.268 17.710 ( -1.199 -2.113 4.692) 5.283 17.810 ( 0.169 -0.341 0.837) 0.920 19.710 ( -0.673 1.035 5.433) 5.572 19.877 ( -1.422 -0.348 -8.641) 8.764 ======================= Grid point 241 (47/58) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 13.272 22.987 12.791) 29.464 2.671 ( 12.975 22.474 6.906) 26.854 3.041 ( 11.825 20.481 -13.220) 27.093 3.089 ( 5.181 8.973 -12.105) 15.934 4.110 ( 3.554 6.156 7.549) 10.369 4.215 ( 1.054 1.826 -2.447) 3.230 4.791 ( -2.436 -4.220 0.750) 4.930 5.082 ( -0.857 -1.485 -1.220) 2.105 5.611 ( 1.357 2.351 -2.622) 3.774 5.723 ( -6.102 -10.569 0.490) 12.214 5.840 ( -3.543 -6.137 -0.878) 7.140 5.855 ( -2.497 -4.325 6.721) 8.374 6.255 ( -4.067 -7.044 2.283) 8.448 6.425 ( 1.550 2.685 -5.616) 6.415 6.535 ( 2.057 3.563 11.980) 12.667 6.554 ( -3.619 -6.268 4.513) 8.530 6.689 ( -0.831 -1.439 3.620) 3.983 6.740 ( -5.451 -9.442 -6.956) 12.933 7.058 ( -2.076 -3.596 -2.541) 4.868 7.128 ( -4.587 -7.945 2.371) 9.475 7.268 ( -1.003 -1.738 0.398) 2.046 7.504 ( 1.335 2.313 2.226) 3.477 7.570 ( 2.173 3.763 -4.876) 6.531 7.575 ( 2.294 3.973 -5.767) 7.369 8.099 ( 5.592 9.685 2.541) 11.469 8.334 ( 2.052 3.554 1.138) 4.259 8.354 ( 3.317 5.744 2.609) 7.128 8.459 ( 0.535 0.928 2.695) 2.900 8.477 ( -0.908 -1.573 -5.602) 5.889 8.655 ( -2.271 -3.934 -2.941) 5.411 8.888 ( -0.676 -1.170 -1.324) 1.892 9.006 ( -2.193 -3.799 -3.400) 5.550 9.298 ( -1.262 -2.186 -6.427) 6.905 9.450 ( -1.183 -2.049 2.952) 3.783 9.519 ( 1.713 2.966 4.357) 5.542 9.598 ( 0.208 0.360 3.222) 3.249 9.631 ( -0.449 -0.778 8.401) 8.449 9.834 ( -2.391 -4.141 0.489) 4.807 9.958 ( -3.410 -5.906 2.798) 7.371 10.026 ( -0.107 -0.186 0.775) 0.805 10.094 ( 3.663 6.345 -10.071) 12.454 10.144 ( -2.252 -3.901 -2.000) 4.929 10.432 ( -0.625 -1.082 6.561) 6.679 10.504 ( 0.609 1.056 1.872) 2.234 10.904 ( -2.447 -4.238 -7.330) 8.814 11.105 ( -5.005 -8.669 -2.428) 10.300 11.607 ( -5.762 -9.980 -22.898) 25.635 11.620 ( 3.093 5.357 12.484) 13.932 12.187 ( -2.371 -4.106 -2.579) 5.397 12.347 ( 0.289 0.501 2.739) 2.800 12.549 ( 2.971 5.145 0.170) 5.944 12.808 ( 1.049 1.817 -4.435) 4.907 12.822 ( 3.618 6.266 2.930) 7.807 12.938 ( -0.088 -0.153 -7.079) 7.081 13.104 ( 0.148 0.257 -0.201) 0.359 13.218 ( 2.533 4.388 4.784) 6.968 13.380 ( -0.664 -1.150 0.959) 1.638 13.385 ( -0.270 -0.467 -0.750) 0.924 13.598 ( 0.178 0.308 3.399) 3.418 13.742 ( -2.420 -4.192 -6.989) 8.501 13.909 ( -0.884 -1.530 4.320) 4.668 14.015 ( 1.974 3.419 7.307) 8.305 14.238 ( 3.243 5.616 -6.570) 9.232 14.289 ( 1.671 2.894 2.458) 4.148 14.535 ( 0.039 0.068 3.187) 3.188 14.625 ( -0.655 -1.134 3.388) 3.632 14.678 ( -2.221 -3.846 0.885) 4.529 14.849 ( -2.050 -3.551 -0.230) 4.107 14.923 ( -1.056 -1.828 7.665) 7.951 15.072 ( -2.662 -4.612 -0.489) 5.347 15.207 ( -4.165 -7.214 2.138) 8.600 15.367 ( -0.419 -0.726 -2.369) 2.513 15.744 ( 4.220 7.308 0.266) 8.443 15.794 ( 4.224 7.315 -2.437) 8.792 16.359 ( -1.181 -2.045 -0.028) 2.362 16.653 ( -1.504 -2.605 -4.083) 5.071 16.770 ( -0.216 -0.375 1.513) 1.574 16.877 ( -1.281 -2.219 -0.700) 2.656 17.287 ( 2.930 5.075 -3.994) 7.091 17.347 ( 5.528 9.575 -3.198) 11.510 17.765 ( 0.149 0.259 4.121) 4.132 17.779 ( -0.710 -1.229 4.395) 4.618 19.753 ( -1.371 -2.375 11.494) 11.817 19.952 ( -2.716 -4.704 -11.961) 13.137 ======================= Grid point 242 (48/58) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 6.541 20.767 6.077) 22.605 3.164 ( 18.288 17.650 -0.811) 25.429 3.214 ( -1.909 9.722 -7.404) 12.369 3.429 ( 10.048 16.728 -4.871) 20.113 4.126 ( -1.267 -5.312 0.662) 5.501 4.184 ( -2.462 -5.477 4.276) 7.372 4.682 ( -3.378 -6.056 -0.652) 6.965 5.030 ( -3.099 -0.979 -0.113) 3.252 5.570 ( -0.299 -7.206 0.316) 7.219 5.678 ( -1.684 -6.173 -0.995) 6.475 5.711 ( 3.495 0.422 -2.031) 4.065 5.823 ( 3.359 -2.601 6.600) 7.849 6.129 ( -4.518 -4.444 2.916) 6.976 6.262 ( -9.970 -10.599 4.706) 15.293 6.519 ( -2.419 3.977 1.572) 4.913 6.585 ( -2.722 -4.981 -9.382) 10.966 6.642 ( 3.909 0.411 5.070) 6.415 6.700 ( 2.991 -1.896 3.750) 5.158 6.924 ( -1.083 -9.538 -0.721) 9.626 7.069 ( -0.886 1.276 -1.957) 2.499 7.253 ( 1.032 0.404 0.960) 1.466 7.523 ( -2.624 1.921 -1.376) 3.531 7.573 ( -4.128 5.534 0.947) 6.968 7.712 ( 7.076 1.004 -1.759) 7.360 8.302 ( 4.495 7.490 -0.994) 8.792 8.334 ( 0.721 -0.444 -4.119) 4.205 8.418 ( -0.499 0.342 1.841) 1.938 8.474 ( -1.366 0.039 0.343) 1.409 8.539 ( 5.293 6.145 3.291) 8.752 8.635 ( -1.097 3.847 5.342) 6.674 8.840 ( -1.916 -0.573 -5.381) 5.741 8.926 ( -1.717 -4.221 -6.619) 8.037 9.262 ( -4.135 4.530 -6.294) 8.789 9.389 ( -6.262 2.500 5.648) 8.796 9.572 ( -0.760 -1.743 7.371) 7.612 9.621 ( 4.458 1.280 3.721) 5.946 9.651 ( 1.536 -0.096 8.479) 8.617 9.738 ( -2.809 -0.756 -0.124) 2.911 9.843 ( 1.001 -9.101 1.052) 9.216 10.050 ( -1.257 4.046 -6.390) 7.667 10.153 ( 2.814 1.620 -0.687) 3.319 10.224 ( 4.676 3.613 -7.723) 9.724 10.383 ( -5.247 3.467 3.898) 7.399 10.504 ( -1.517 -1.214 0.927) 2.153 10.810 ( 0.415 -9.014 -1.609) 9.166 10.886 ( -3.462 -15.097 0.192) 15.490 11.433 ( -2.731 -9.091 -25.111) 26.845 11.682 ( 1.006 -0.741 7.833) 7.932 12.171 ( 0.032 3.506 -0.799) 3.596 12.353 ( -0.839 1.345 3.607) 3.940 12.653 ( 2.591 5.557 -1.429) 6.295 12.830 ( -0.601 2.356 -3.897) 4.593 12.911 ( -0.021 -0.243 -4.004) 4.012 12.936 ( 0.073 3.862 1.219) 4.050 13.137 ( 4.220 -0.264 0.370) 4.244 13.263 ( -0.130 0.320 2.588) 2.611 13.360 ( -0.517 -1.176 1.350) 1.863 13.377 ( -0.110 -0.767 1.132) 1.371 13.600 ( -1.977 2.038 0.114) 2.842 13.682 ( 0.280 -4.475 -6.107) 7.576 13.925 ( 4.456 0.225 4.820) 6.568 14.089 ( 1.999 2.630 6.136) 6.969 14.326 ( 0.370 4.229 -5.415) 6.881 14.343 ( 2.254 3.277 0.524) 4.011 14.465 ( -5.961 0.494 3.803) 7.088 14.587 ( -2.048 -8.793 0.546) 9.044 14.649 ( 2.174 1.372 2.781) 3.787 14.791 ( -1.336 -1.713 3.736) 4.322 14.864 ( -1.516 -5.475 6.953) 8.979 14.978 ( -4.169 -0.399 1.401) 4.417 15.119 ( 0.914 -5.113 -0.307) 5.203 15.357 ( -1.156 1.921 -5.080) 5.553 15.876 ( 1.722 8.238 6.277) 10.499 15.915 ( 1.498 5.704 -3.459) 6.837 16.356 ( 2.711 -1.859 -5.251) 6.195 16.595 ( -1.913 -2.979 -5.731) 6.736 16.756 ( 0.048 -1.419 0.619) 1.549 16.813 ( -1.339 -4.648 0.869) 4.914 17.377 ( 2.259 3.588 -2.045) 4.707 17.490 ( 2.328 5.230 0.994) 5.811 17.730 ( -2.479 -0.688 4.320) 5.028 17.781 ( 1.640 -1.479 2.980) 3.709 19.740 ( -0.419 1.718 5.518) 5.794 19.889 ( -1.256 -1.819 -8.564) 8.845 ======================= Grid point 243 (49/58) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( -7.249 12.556 0.865) 14.524 3.207 ( -6.075 10.522 -3.436) 12.626 3.494 ( -2.655 4.598 -7.031) 8.810 3.620 ( -4.872 8.439 2.848) 10.152 4.060 ( 4.685 -8.115 -5.176) 10.705 4.079 ( 1.952 -3.382 9.361) 10.143 4.611 ( 1.830 -3.169 0.029) 3.660 4.990 ( -0.538 0.931 -0.592) 1.227 5.549 ( 3.128 -5.418 -1.215) 6.373 5.591 ( 3.745 -6.487 -2.105) 7.781 5.819 ( 1.669 -2.890 -0.381) 3.359 5.865 ( 3.423 -5.928 6.719) 9.592 6.049 ( 0.231 -0.400 6.379) 6.395 6.051 ( 0.517 -0.895 3.679) 3.821 6.525 ( -1.030 1.783 -0.822) 2.217 6.540 ( 0.160 -0.277 -11.217) 11.222 6.648 ( 0.558 -0.967 6.692) 6.785 6.725 ( 1.860 -3.221 5.174) 6.372 6.872 ( 4.665 -8.080 -1.078) 9.392 7.076 ( -2.014 3.488 -2.200) 4.589 7.288 ( 0.423 -0.733 0.967) 1.285 7.479 ( -4.272 7.400 -4.337) 9.582 7.572 ( -1.557 2.697 4.606) 5.560 7.786 ( 2.063 -3.574 -0.166) 4.130 8.336 ( 1.796 -3.110 -7.076) 7.935 8.355 ( 0.327 -0.567 -9.947) 9.969 8.431 ( -1.672 2.896 5.367) 6.324 8.467 ( -1.599 2.770 2.352) 3.970 8.628 ( -1.509 2.613 3.231) 4.421 8.656 ( -4.924 8.529 10.854) 14.656 8.834 ( 0.199 -0.345 -5.244) 5.259 8.882 ( 1.276 -2.210 -6.824) 7.285 9.265 ( -4.818 8.346 -4.289) 10.548 9.305 ( -3.425 5.933 3.376) 7.638 9.552 ( 0.438 -0.758 11.344) 11.378 9.632 ( 1.601 -2.773 3.141) 4.485 9.661 ( 0.662 -1.146 6.512) 6.645 9.791 ( 2.371 -4.107 5.567) 7.313 9.792 ( 0.993 -1.720 -4.308) 4.744 10.050 ( -2.976 5.154 -7.647) 9.690 10.201 ( -0.234 0.405 -4.518) 4.542 10.306 ( 0.459 -0.795 -5.154) 5.235 10.345 ( -3.318 5.747 2.193) 6.989 10.454 ( -0.522 0.904 1.493) 1.821 10.768 ( 4.892 -8.474 1.116) 9.848 10.769 ( 7.239 -12.539 0.376) 14.484 11.358 ( 3.515 -6.088 -25.835) 26.775 11.679 ( 2.195 -3.803 6.326) 7.701 12.200 ( -3.042 5.269 0.464) 6.102 12.350 ( -1.363 2.361 3.717) 4.609 12.716 ( -1.937 3.356 -1.681) 4.224 12.835 ( -1.124 1.948 -3.994) 4.584 12.894 ( 1.023 -1.772 -5.546) 5.912 12.961 ( -2.579 4.466 2.220) 5.615 13.218 ( 0.558 -0.967 0.555) 1.247 13.227 ( 1.681 -2.912 1.520) 3.690 13.343 ( 0.236 -0.410 2.773) 2.813 13.372 ( 0.532 -0.921 2.142) 2.391 13.591 ( -1.489 2.579 -0.358) 3.000 13.655 ( 1.848 -3.201 -6.099) 7.132 14.008 ( 1.447 -2.507 5.506) 6.220 14.105 ( -0.363 0.629 5.606) 5.653 14.346 ( -0.971 1.683 -4.492) 4.894 14.400 ( -2.011 3.484 -0.626) 4.071 14.438 ( 0.016 -0.028 3.525) 3.525 14.462 ( 1.314 -2.275 -3.320) 4.234 14.718 ( 1.544 -2.675 12.398) 12.776 14.725 ( -1.033 1.790 -1.426) 2.511 14.817 ( 1.051 -1.821 6.497) 6.829 14.946 ( -0.413 0.715 2.589) 2.717 15.104 ( 2.366 -4.099 -2.137) 5.193 15.359 ( -1.324 2.293 -6.875) 7.367 15.940 ( -3.721 6.445 10.285) 12.695 15.955 ( -2.525 4.374 -4.096) 6.502 16.381 ( 1.052 -1.822 -8.562) 8.817 16.552 ( 1.226 -2.124 -6.045) 6.523 16.760 ( 1.908 -3.305 1.156) 3.987 16.763 ( 1.982 -3.433 1.514) 4.243 17.419 ( -0.420 0.727 -1.295) 1.543 17.535 ( -1.398 2.422 2.909) 4.035 17.700 ( -0.622 1.078 4.064) 4.250 17.789 ( 0.994 -1.722 2.104) 2.895 19.750 ( -1.511 2.618 2.236) 3.760 19.868 ( 0.466 -0.806 -6.214) 6.283 ======================= Grid point 249 (50/58) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -12.861 22.276 23.244) 34.669 2.163 ( -9.998 17.318 29.046) 35.264 2.268 ( -4.704 8.148 -28.929) 30.420 2.558 ( -3.972 6.879 -32.169) 33.135 3.257 ( -14.279 24.732 40.550) 49.597 3.961 ( -5.808 10.059 -24.828) 27.411 4.902 ( -1.605 2.781 8.391) 8.984 5.011 ( 1.939 -3.359 -7.762) 8.677 5.691 ( 3.693 -6.396 -3.293) 8.087 5.828 ( -0.718 1.244 9.194) 9.306 5.878 ( -4.181 7.242 -2.037) 8.606 6.123 ( 0.561 -0.971 -5.700) 5.809 6.516 ( 6.176 -10.698 5.983) 13.726 6.573 ( 4.426 -7.666 10.289) 13.572 6.754 ( 2.482 -4.299 -8.688) 10.007 6.795 ( 2.032 -3.520 3.285) 5.226 6.863 ( 2.742 -4.750 6.313) 8.363 6.904 ( -2.855 4.945 -0.730) 5.756 6.989 ( 2.106 -3.647 -12.093) 12.805 7.137 ( -2.826 4.895 0.896) 5.722 7.374 ( -1.450 2.511 -1.445) 3.239 7.386 ( -0.697 1.207 3.981) 4.218 7.506 ( 2.222 -3.849 2.269) 4.990 7.695 ( 7.231 -12.525 -7.698) 16.383 8.024 ( -0.544 0.943 -8.744) 8.812 8.055 ( -4.527 7.841 2.754) 9.463 8.177 ( -4.457 7.720 4.820) 10.134 8.186 ( -1.156 2.002 -5.676) 6.129 8.648 ( 1.944 -3.366 2.696) 4.730 8.807 ( 0.904 -1.566 2.687) 3.239 8.978 ( -1.277 2.212 -8.248) 8.634 9.003 ( -3.204 5.550 3.702) 7.401 9.375 ( 2.900 -5.023 5.210) 7.796 9.520 ( 3.107 -5.382 -3.411) 7.089 9.599 ( 1.792 -3.104 1.937) 4.074 9.649 ( 2.111 -3.656 -3.819) 5.693 9.764 ( 0.155 -0.268 -4.701) 4.712 9.811 ( 0.052 -0.090 1.568) 1.571 10.050 ( 3.805 -6.591 -2.571) 8.033 10.118 ( 1.579 -2.735 2.082) 3.783 10.355 ( -1.080 1.871 12.720) 12.902 10.390 ( 3.701 -6.410 3.306) 8.106 10.464 ( -2.356 4.080 0.131) 4.713 10.486 ( 4.029 -6.978 -5.076) 9.523 10.673 ( -1.974 3.420 7.844) 8.782 10.993 ( -1.246 2.157 -7.468) 7.872 11.741 ( 5.790 -10.029 8.375) 14.292 12.028 ( 3.479 -6.025 -21.509) 22.606 12.356 ( -0.136 0.235 -2.315) 2.331 12.385 ( 2.598 -4.499 1.419) 5.386 12.429 ( -2.579 4.468 -3.122) 6.030 12.570 ( -4.131 7.155 0.579) 8.282 12.672 ( -0.661 1.146 2.666) 2.976 12.702 ( -2.208 3.825 2.233) 4.949 13.036 ( -4.019 6.962 -1.219) 8.131 13.067 ( -4.615 7.993 -3.917) 10.026 13.463 ( 4.614 -7.992 2.826) 9.651 13.583 ( 3.950 -6.841 -1.167) 7.985 13.739 ( 1.569 -2.717 -1.628) 3.535 13.743 ( 1.824 -3.160 6.630) 7.568 13.945 ( -1.256 2.176 3.909) 4.647 14.042 ( -0.177 0.307 -3.130) 3.150 14.070 ( 0.847 -1.467 -2.680) 3.171 14.182 ( -2.334 4.043 -0.923) 4.758 14.485 ( -1.888 3.270 2.741) 4.666 14.536 ( -2.388 4.135 2.377) 5.334 14.827 ( -4.115 7.127 6.462) 10.464 14.941 ( 3.573 -6.189 -5.584) 9.069 15.112 ( 1.654 -2.865 5.595) 6.500 15.173 ( 0.493 -0.853 -14.060) 14.094 15.433 ( -2.793 4.838 2.169) 5.992 15.442 ( -3.315 5.741 -1.494) 6.796 15.508 ( 3.348 -5.798 -1.981) 6.982 15.517 ( 2.069 -3.583 -0.140) 4.140 16.500 ( -7.562 13.099 10.338) 18.321 16.531 ( -5.877 10.180 -8.532) 14.524 16.763 ( 3.024 -5.237 4.134) 7.325 16.855 ( 4.697 -8.136 -1.720) 9.551 16.989 ( -1.651 2.860 5.800) 6.674 17.033 ( -1.854 3.211 -6.947) 7.874 17.668 ( -2.960 5.127 2.928) 6.605 17.732 ( -3.275 5.672 -0.037) 6.549 20.072 ( 10.583 -18.330 19.260) 28.617 20.382 ( 7.692 -13.322 -10.296) 18.511 ======================= Grid point 253 (51/58) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( 5.974 10.347 2.646) 12.237 3.349 ( 1.844 3.194 -2.836) 4.652 3.527 ( 10.048 17.403 -7.964) 21.616 3.729 ( 6.878 11.913 0.354) 13.761 3.946 ( -6.704 -11.612 -2.629) 13.663 4.039 ( -4.751 -8.230 8.546) 12.780 4.579 ( -1.864 -3.229 -0.299) 3.740 4.996 ( -0.933 -1.616 -1.712) 2.533 5.482 ( -0.726 -1.257 -1.241) 1.910 5.527 ( -3.045 -5.275 -2.257) 6.495 5.782 ( 1.708 2.958 -2.584) 4.284 5.798 ( 0.047 0.081 8.892) 8.892 6.033 ( -2.112 -3.658 4.820) 6.408 6.063 ( -4.174 -7.230 7.101) 10.960 6.507 ( -0.150 -0.259 -1.486) 1.516 6.540 ( -1.230 -2.131 -2.871) 3.781 6.680 ( 1.268 2.195 -0.300) 2.553 6.688 ( -0.123 -0.213 2.986) 2.996 6.771 ( -2.888 -5.003 0.288) 5.784 7.141 ( 2.789 4.830 -2.739) 6.214 7.253 ( -0.968 -1.676 -0.345) 1.966 7.573 ( 2.294 3.973 0.004) 4.587 7.671 ( -0.440 -0.763 1.927) 2.119 7.672 ( -0.127 -0.221 0.229) 0.343 8.282 ( -1.958 -3.392 -7.025) 8.043 8.349 ( 0.694 1.202 -10.771) 10.860 8.480 ( 0.012 0.020 3.495) 3.495 8.482 ( 1.159 2.008 3.463) 4.167 8.651 ( 2.059 3.566 4.425) 6.044 8.787 ( 4.680 8.105 11.939) 15.170 8.819 ( -0.418 -0.725 -6.139) 6.195 8.855 ( -1.088 -1.884 -4.588) 5.078 9.361 ( 2.196 3.804 -6.356) 7.726 9.418 ( -0.908 -1.573 3.146) 3.632 9.549 ( -0.402 -0.695 7.027) 7.072 9.565 ( -2.220 -3.844 9.143) 10.164 9.649 ( -0.007 -0.013 7.097) 7.097 9.748 ( 0.837 1.449 -4.527) 4.826 9.756 ( -0.200 -0.346 4.017) 4.037 10.122 ( 1.570 2.719 -8.360) 8.930 10.186 ( -0.205 -0.355 -9.319) 9.328 10.296 ( 3.489 6.043 1.069) 7.059 10.446 ( 0.324 0.562 -1.083) 1.262 10.472 ( -1.080 -1.871 2.138) 3.040 10.609 ( -5.141 -8.905 3.357) 10.817 10.653 ( -3.339 -5.783 0.392) 6.689 11.295 ( -2.272 -3.935 -27.826) 28.195 11.624 ( -1.521 -2.635 5.622) 6.392 12.268 ( 2.122 3.676 1.727) 4.582 12.375 ( 0.384 0.666 5.089) 5.147 12.758 ( 2.669 4.623 -3.822) 6.565 12.856 ( 0.295 0.511 -4.666) 4.703 12.863 ( -1.956 -3.387 -5.708) 6.919 13.034 ( 2.199 3.810 4.322) 6.167 13.149 ( 1.194 2.068 0.258) 2.402 13.226 ( -2.269 -3.930 1.123) 4.675 13.343 ( 0.002 0.004 3.182) 3.182 13.359 ( -0.500 -0.865 2.461) 2.656 13.623 ( -0.509 -0.882 -4.377) 4.494 13.625 ( -0.213 -0.370 -1.935) 1.981 13.978 ( 2.951 5.112 5.240) 7.893 14.102 ( -1.498 -2.595 5.266) 6.058 14.357 ( 0.275 0.475 0.742) 0.923 14.414 ( 1.512 2.619 -4.849) 5.715 14.442 ( -1.617 -2.801 -2.466) 4.067 14.464 ( -1.312 -2.273 -1.214) 2.892 14.688 ( 1.306 2.262 10.435) 10.757 14.775 ( -0.386 -0.669 4.918) 4.979 14.777 ( -1.457 -2.524 4.833) 5.644 14.978 ( 0.124 0.214 1.283) 1.307 15.033 ( -1.682 -2.914 1.639) 3.743 15.388 ( 0.564 0.977 -9.499) 9.566 16.014 ( 1.958 3.392 1.491) 4.191 16.014 ( 2.515 4.355 7.762) 9.249 16.362 ( 1.589 2.753 -8.401) 8.983 16.500 ( -3.549 -6.147 -5.821) 9.179 16.726 ( -1.535 -2.658 0.378) 3.092 16.729 ( -0.568 -0.984 -0.946) 1.478 17.425 ( 0.713 1.235 -1.844) 2.331 17.560 ( 1.009 1.748 3.617) 4.142 17.729 ( 0.146 0.252 3.507) 3.519 17.756 ( -0.484 -0.839 2.983) 3.136 19.788 ( 1.489 2.579 0.488) 3.017 19.852 ( -1.156 -2.003 -4.780) 5.310 ======================= Grid point 258 (52/58) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -20.185 25.728 10.779) 34.432 2.484 ( -6.410 18.634 22.155) 29.650 2.530 ( -13.504 11.412 -21.584) 27.901 2.725 ( -7.403 6.810 -26.644) 28.480 3.780 ( -19.017 16.875 23.336) 34.511 4.145 ( -5.320 5.224 -8.768) 11.510 4.934 ( 1.996 -5.017 -4.096) 6.777 4.959 ( -0.286 3.983 6.264) 7.429 5.598 ( -0.315 -5.107 0.613) 5.154 5.809 ( 2.578 -0.826 3.557) 4.470 5.929 ( 4.373 -2.239 -1.266) 5.073 6.043 ( 3.581 -3.749 -1.781) 5.482 6.340 ( 2.770 -5.363 3.314) 6.886 6.445 ( 0.832 -8.365 3.089) 8.955 6.601 ( 11.333 0.890 -1.162) 11.427 6.704 ( 5.385 -6.193 5.508) 9.884 6.805 ( -2.252 -4.060 -2.914) 5.482 6.906 ( -1.236 -3.579 -7.219) 8.151 7.038 ( -1.315 3.623 -2.411) 4.546 7.223 ( 0.394 6.834 -0.578) 6.870 7.345 ( 3.556 -3.359 8.272) 9.610 7.422 ( 1.427 -3.454 3.483) 5.109 7.436 ( 2.546 -4.862 -4.706) 7.230 7.522 ( -2.804 2.200 -5.341) 6.421 8.075 ( -4.556 0.445 -5.759) 7.357 8.204 ( -4.085 8.023 2.629) 9.379 8.269 ( -2.884 5.324 -2.991) 6.753 8.333 ( -4.235 7.858 1.487) 9.050 8.557 ( 1.575 -7.129 0.786) 7.343 8.732 ( 3.710 -4.095 0.680) 5.568 8.944 ( 3.384 -2.520 -3.229) 5.313 9.010 ( 4.562 -0.939 1.221) 4.815 9.317 ( 0.943 -6.174 0.881) 6.307 9.475 ( 0.866 0.807 -0.928) 1.504 9.574 ( -1.530 0.310 0.972) 1.839 9.602 ( 0.286 -0.629 -2.308) 2.410 9.739 ( 5.992 3.809 3.470) 7.903 9.793 ( 2.038 2.401 -3.654) 4.824 9.978 ( -3.059 -6.333 -3.495) 7.854 10.081 ( -0.275 -1.762 1.509) 2.336 10.190 ( 7.487 -6.563 5.232) 11.247 10.258 ( 7.110 -9.144 -6.410) 13.239 10.376 ( 0.887 0.571 14.504) 14.542 10.521 ( 1.550 2.298 -2.817) 3.952 10.810 ( -9.317 -0.368 0.847) 9.363 11.084 ( -1.920 3.609 -0.548) 4.124 11.548 ( 5.598 -9.095 7.996) 13.341 11.921 ( 3.454 -2.568 -21.181) 21.614 12.264 ( 3.562 -4.541 0.237) 5.776 12.386 ( -0.653 -1.372 -1.487) 2.126 12.489 ( -0.107 5.785 -3.198) 6.611 12.675 ( 0.441 5.133 1.608) 5.397 12.763 ( -4.271 2.146 6.396) 7.984 12.791 ( -7.775 1.358 -2.855) 8.393 13.118 ( -1.486 1.297 -1.931) 2.760 13.192 ( -2.456 5.823 -2.969) 6.982 13.356 ( 1.524 -2.233 3.242) 4.221 13.455 ( 4.430 -2.973 -1.492) 5.540 13.668 ( 2.590 -2.306 5.593) 6.582 13.707 ( -0.571 -3.560 -0.094) 3.607 14.008 ( -1.253 3.867 3.813) 5.573 14.041 ( -0.614 -1.212 -3.350) 3.615 14.076 ( -2.539 0.931 -1.850) 3.277 14.250 ( -0.015 5.393 -2.011) 5.756 14.520 ( -0.319 0.846 1.406) 1.672 14.597 ( 0.414 3.490 1.645) 3.880 14.839 ( 1.045 -5.298 -0.919) 5.478 14.884 ( -0.143 -2.023 -0.126) 2.032 15.086 ( 1.601 2.088 2.592) 3.694 15.179 ( -1.967 -1.873 -11.745) 12.055 15.339 ( 9.065 -3.451 1.033) 9.755 15.377 ( 6.777 -2.439 -1.450) 7.347 15.561 ( -3.816 3.815 5.260) 7.535 15.622 ( -8.725 5.372 -2.081) 10.456 16.591 ( 3.021 -9.365 -7.115) 12.143 16.663 ( 3.321 -4.512 4.423) 7.138 16.709 ( -4.344 6.088 7.741) 10.763 16.764 ( -2.050 2.233 0.964) 3.181 17.079 ( -4.226 5.848 6.146) 9.478 17.163 ( -6.758 6.913 -5.980) 11.368 17.754 ( -2.349 1.753 2.779) 4.040 17.817 ( -1.353 2.461 0.210) 2.816 19.800 ( 5.499 -7.165 16.477) 18.790 20.127 ( 8.268 -8.196 -12.633) 17.179 ======================= Grid point 269 (53/58) ======================= q-point: (-0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -3.591 16.108 14.029) 21.660 2.833 ( -7.222 7.937 -13.256) 17.055 2.939 ( -18.671 20.924 0.901) 28.058 3.012 ( -17.173 13.440 -13.729) 25.769 4.161 ( -9.863 6.046 8.214) 14.188 4.212 ( -0.475 -2.316 0.275) 2.380 4.837 ( 2.198 -6.724 -2.868) 7.633 4.968 ( 3.953 3.546 3.766) 6.510 5.624 ( -5.640 -0.620 2.507) 6.203 5.733 ( -0.171 -6.987 1.794) 7.216 5.774 ( 5.837 -4.783 1.019) 7.615 5.991 ( -0.898 -0.543 -4.171) 4.301 6.259 ( 5.820 -1.450 -2.814) 6.625 6.374 ( -0.977 -6.562 5.710) 8.753 6.415 ( 10.503 0.070 4.883) 11.583 6.515 ( 7.549 -5.400 6.070) 11.090 6.802 ( -1.655 -2.593 -5.272) 6.104 6.934 ( -3.443 -2.577 -4.956) 6.562 7.033 ( 2.068 -1.546 -3.532) 4.375 7.140 ( 4.402 -9.911 0.169) 10.846 7.253 ( -0.191 -2.215 3.667) 4.288 7.413 ( 0.354 1.450 1.248) 1.945 7.486 ( -1.361 9.110 3.372) 9.809 7.608 ( -3.105 3.308 -5.811) 7.373 8.191 ( -6.076 3.198 -1.759) 7.088 8.305 ( 2.650 0.113 2.131) 3.402 8.350 ( -2.279 7.376 2.765) 8.200 8.448 ( -1.069 4.704 -0.905) 4.908 8.534 ( -3.990 -0.412 -4.450) 5.992 8.644 ( 1.322 -1.649 -1.162) 2.412 8.844 ( 4.904 -2.839 -3.331) 6.573 8.907 ( 4.499 -0.642 0.037) 4.545 9.200 ( 3.049 -6.380 3.059) 7.704 9.422 ( 6.570 1.316 -1.429) 6.851 9.616 ( 2.766 0.411 6.666) 7.229 9.629 ( -4.055 -0.673 -0.403) 4.130 9.688 ( -0.765 4.102 2.168) 4.702 9.787 ( 1.456 1.824 -6.430) 6.841 9.972 ( 4.824 -3.605 1.616) 6.235 10.018 ( -2.464 -2.671 2.397) 4.353 10.085 ( 4.273 -4.212 -5.441) 8.099 10.164 ( -3.437 2.992 -1.988) 4.971 10.351 ( 2.152 0.272 14.960) 15.116 10.483 ( 2.861 -1.328 -6.563) 7.282 10.933 ( -7.695 -5.901 -0.814) 9.731 11.076 ( 1.570 -5.154 1.505) 5.593 11.372 ( 2.788 -10.527 6.594) 12.731 11.869 ( 2.265 1.796 -16.741) 16.989 12.182 ( 0.735 -3.838 -0.353) 3.924 12.349 ( 4.808 2.616 -0.681) 5.516 12.572 ( -3.751 3.079 -1.715) 5.147 12.719 ( -0.148 4.222 0.888) 4.317 12.812 ( -1.447 0.174 5.350) 5.545 12.915 ( -2.401 1.848 -4.068) 5.073 13.169 ( -4.366 -0.370 -1.559) 4.651 13.267 ( -0.119 3.285 -0.887) 3.404 13.348 ( -0.672 1.051 2.390) 2.696 13.381 ( 1.526 -0.806 -0.639) 1.840 13.621 ( 0.192 -1.923 3.569) 4.059 13.689 ( -0.232 -1.805 -0.893) 2.027 14.033 ( -3.230 -0.767 -3.903) 5.124 14.106 ( -1.703 5.252 4.108) 6.882 14.136 ( -2.920 0.851 -2.061) 3.673 14.288 ( 1.719 5.617 -2.068) 6.227 14.531 ( 0.319 1.076 -0.705) 1.325 14.585 ( 2.825 1.638 1.256) 3.499 14.763 ( 2.495 -6.172 1.108) 6.749 14.871 ( -1.454 -2.400 -1.187) 3.046 15.022 ( 6.120 -1.958 0.056) 6.426 15.141 ( 9.299 -2.668 2.858) 10.088 15.197 ( -2.696 -2.626 -11.613) 12.208 15.277 ( 2.614 0.296 -0.540) 2.686 15.650 ( -1.702 4.067 9.791) 10.737 15.824 ( -6.640 7.211 -4.840) 10.932 16.420 ( 2.727 -10.848 1.324) 11.264 16.551 ( 4.768 -2.794 4.202) 6.942 16.800 ( -2.900 0.643 3.183) 4.354 16.828 ( -3.162 -0.378 -0.717) 3.265 17.235 ( -6.249 5.462 4.115) 9.264 17.356 ( -5.668 7.876 -3.043) 10.170 17.777 ( 0.171 -0.582 2.930) 2.992 17.827 ( 1.007 -0.520 -0.007) 1.133 19.719 ( 0.765 -0.217 10.426) 10.456 19.948 ( 5.395 -3.985 -11.418) 13.242 ======================= Grid point 270 (54/58) ======================= q-point: (-0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( -10.195 17.658 -11.052) 23.192 2.820 ( -8.469 14.669 15.465) 22.936 2.891 ( -15.284 26.472 -0.229) 30.568 2.916 ( -6.877 11.911 -17.933) 22.600 4.086 ( -6.979 12.087 10.783) 17.637 4.192 ( 0.450 -0.780 -1.058) 1.389 4.825 ( 3.421 -5.925 -2.736) 7.369 5.024 ( -0.792 1.372 4.534) 4.803 5.565 ( -1.177 2.038 2.462) 3.406 5.698 ( 4.690 -8.124 1.629) 9.521 5.813 ( 5.282 -9.149 1.443) 10.663 5.971 ( 1.438 -2.490 -3.512) 4.539 6.309 ( -1.393 2.413 6.461) 7.036 6.334 ( 2.655 -4.598 -5.541) 7.675 6.535 ( 4.919 -8.519 9.804) 13.889 6.553 ( 4.308 -7.461 3.366) 9.250 6.788 ( -0.828 1.433 -9.816) 9.954 6.801 ( 2.228 -3.859 -5.462) 7.049 7.061 ( 2.096 -3.631 -4.369) 6.055 7.150 ( 5.761 -9.979 0.440) 11.531 7.213 ( 1.533 -2.655 6.163) 6.883 7.459 ( -2.979 5.160 5.130) 7.862 7.527 ( -2.892 5.010 -0.263) 5.791 7.585 ( -2.549 4.415 -5.030) 7.161 8.152 ( -3.912 6.777 -2.339) 8.167 8.312 ( 0.086 -0.149 3.489) 3.493 8.375 ( -3.166 5.484 -2.937) 6.980 8.479 ( -2.241 3.881 1.584) 4.754 8.493 ( -2.267 3.927 -3.876) 5.965 8.635 ( 0.774 -1.340 -1.301) 2.022 8.893 ( 2.390 -4.140 -2.141) 5.238 8.947 ( 3.162 -5.477 1.229) 6.443 9.195 ( 2.573 -4.457 4.099) 6.580 9.494 ( -0.451 0.781 -1.405) 1.669 9.581 ( -0.206 0.358 4.252) 4.272 9.583 ( -0.024 0.042 -2.132) 2.133 9.778 ( -0.297 0.515 -3.463) 3.513 9.879 ( 0.443 -0.767 -8.684) 8.729 9.898 ( -0.459 0.795 9.416) 9.461 9.998 ( 2.452 -4.247 -0.721) 4.957 10.104 ( 3.369 -5.836 -5.668) 8.806 10.142 ( -1.419 2.457 -0.958) 2.995 10.368 ( 0.692 -1.198 18.393) 18.445 10.530 ( 1.030 -1.785 -3.177) 3.786 10.807 ( 0.048 -0.083 -2.163) 2.165 11.058 ( 3.682 -6.377 2.216) 7.689 11.344 ( 6.195 -10.730 6.054) 13.790 11.883 ( 1.149 -1.990 -13.968) 14.156 12.182 ( 0.940 -1.628 -3.184) 3.697 12.386 ( -0.555 0.961 -1.231) 1.657 12.594 ( -2.030 3.516 -4.785) 6.276 12.745 ( -1.294 2.242 2.097) 3.332 12.794 ( -0.600 1.039 7.009) 7.111 12.883 ( -4.134 7.159 -2.855) 8.746 13.123 ( 0.024 -0.041 -1.966) 1.967 13.285 ( -1.600 2.771 -1.841) 3.692 13.349 ( -0.489 0.848 2.657) 2.832 13.393 ( 1.368 -2.370 -0.358) 2.760 13.629 ( 1.185 -2.053 4.684) 5.249 13.658 ( 0.231 -0.400 -2.148) 2.197 14.004 ( 0.540 -0.935 -5.404) 5.510 14.098 ( -1.920 3.325 0.258) 3.848 14.135 ( -2.856 4.947 2.981) 6.443 14.323 ( -1.067 1.848 -1.209) 2.453 14.561 ( -1.732 3.001 0.291) 3.477 14.641 ( 0.405 -0.701 1.746) 1.924 14.717 ( 3.190 -5.525 -3.288) 7.178 14.841 ( 0.997 -1.727 0.850) 2.167 15.078 ( 2.006 -3.475 -0.824) 4.096 15.144 ( 0.772 -1.337 -13.325) 13.415 15.253 ( 4.267 -7.391 -3.690) 9.297 15.270 ( 1.847 -3.200 6.426) 7.412 15.685 ( -3.623 6.276 9.250) 11.750 15.781 ( -5.796 10.039 -2.614) 11.883 16.383 ( 5.545 -9.604 -1.933) 11.257 16.574 ( 2.207 -3.823 4.043) 5.986 16.782 ( 0.181 -0.314 -0.791) 0.870 16.791 ( -0.731 1.267 6.643) 6.802 17.209 ( -4.016 6.955 4.128) 9.030 17.347 ( -5.796 10.040 -2.309) 11.820 17.775 ( -0.163 0.282 2.476) 2.498 17.831 ( 0.528 -0.914 -0.591) 1.210 19.725 ( 0.437 -0.758 11.156) 11.190 19.979 ( 3.617 -6.264 -11.492) 13.579 ======================= Grid point 280 (55/58) ======================= q-point: (-0.40 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 0.785 11.468 5.544) 12.762 2.948 ( 1.602 7.079 -5.206) 8.932 3.339 ( -9.765 7.781 -3.031) 12.849 3.463 ( -11.354 14.927 -5.774) 19.623 4.103 ( 4.738 -6.762 6.395) 10.444 4.262 ( -0.397 -1.066 -3.383) 3.569 4.751 ( -0.612 -6.122 -3.280) 6.973 4.917 ( 4.494 3.489 3.231) 6.543 5.651 ( -0.873 -6.972 4.673) 8.438 5.665 ( -3.409 -6.086 0.708) 7.012 5.842 ( -11.475 -0.117 1.718) 11.604 6.049 ( -4.767 -0.102 -3.550) 5.945 6.123 ( 5.273 -3.247 -2.914) 6.844 6.229 ( 6.920 -6.301 1.918) 9.553 6.266 ( 6.574 0.098 5.631) 8.656 6.425 ( 4.144 4.919 2.261) 6.818 6.849 ( -4.264 -1.069 -2.029) 4.841 6.923 ( -1.508 -4.376 -3.730) 5.944 6.970 ( 3.609 -0.124 -2.772) 4.552 7.040 ( -0.962 -5.831 3.340) 6.788 7.240 ( 0.663 0.618 5.527) 5.601 7.403 ( -3.921 -7.452 -2.751) 8.858 7.611 ( -0.690 8.792 0.093) 8.819 7.664 ( 1.959 4.529 -0.831) 5.004 8.253 ( 0.132 -2.833 6.242) 6.856 8.290 ( -1.884 0.183 0.783) 2.048 8.400 ( 2.057 5.853 1.373) 6.355 8.501 ( 0.862 4.161 -5.625) 7.050 8.582 ( 0.268 2.594 -2.662) 3.727 8.644 ( 2.956 4.890 -2.846) 6.383 8.774 ( -1.671 -3.341 -0.816) 3.824 8.853 ( 0.625 -1.847 -0.537) 2.022 9.152 ( -1.137 1.443 0.068) 1.839 9.286 ( 9.783 1.913 -3.217) 10.475 9.574 ( 1.392 1.485 10.469) 10.665 9.702 ( -2.421 1.235 1.304) 3.015 9.772 ( -3.889 -0.103 -4.454) 5.914 9.793 ( -1.137 1.982 -1.432) 2.696 9.858 ( 3.554 -3.050 -0.078) 4.684 9.947 ( 5.893 0.283 0.876) 5.964 10.076 ( -2.501 -1.718 5.000) 5.848 10.281 ( -4.992 2.577 -3.964) 6.876 10.318 ( 1.895 1.390 10.600) 10.858 10.409 ( 3.355 -2.211 -8.947) 9.808 10.958 ( -4.377 -8.048 -0.109) 9.162 10.983 ( -1.032 -9.158 1.080) 9.279 11.270 ( -3.703 -10.924 4.189) 12.272 11.861 ( 1.437 2.349 -12.424) 12.726 12.161 ( 0.011 -0.054 -1.639) 1.640 12.298 ( 4.315 4.032 0.922) 5.977 12.653 ( -1.807 2.169 -0.471) 2.862 12.755 ( 0.215 2.626 0.016) 2.634 12.822 ( -0.443 -0.936 4.213) 4.339 12.937 ( 1.040 2.043 -3.443) 4.137 13.229 ( -2.518 -0.227 -0.129) 2.532 13.261 ( 1.329 -0.316 0.583) 1.485 13.373 ( -0.811 0.242 0.228) 0.877 13.385 ( -0.608 0.827 0.697) 1.240 13.616 ( -0.591 -0.589 2.896) 3.014 13.674 ( -0.390 -1.965 -5.424) 5.782 14.124 ( -4.872 1.609 -4.961) 7.137 14.163 ( 0.481 2.871 1.905) 3.479 14.189 ( -2.319 0.786 0.500) 2.499 14.312 ( 2.989 6.510 -1.521) 7.323 14.502 ( -1.194 -5.380 -0.528) 5.536 14.590 ( 1.209 4.211 3.462) 5.584 14.625 ( 3.936 -6.020 -1.667) 7.383 14.837 ( 4.950 1.667 -2.199) 5.667 14.946 ( -0.520 -0.161 3.259) 3.304 14.997 ( 4.206 -1.839 2.167) 5.076 15.220 ( -3.544 -4.145 -14.581) 15.568 15.258 ( 1.775 2.123 1.392) 3.098 15.698 ( 0.104 2.620 12.194) 12.473 15.968 ( -0.737 7.225 -7.079) 10.141 16.313 ( -1.628 -8.104 6.283) 10.383 16.456 ( 2.980 -1.299 3.801) 5.002 16.838 ( -2.676 -2.681 0.755) 3.862 16.863 ( -2.349 -2.245 0.222) 3.256 17.371 ( -3.944 2.176 1.716) 4.820 17.483 ( -0.479 5.586 -0.708) 5.651 17.759 ( -0.002 -0.765 1.297) 1.506 17.788 ( 2.111 -0.832 1.475) 2.706 19.732 ( -0.129 2.175 5.759) 6.158 19.854 ( 2.166 -1.732 -8.866) 9.289 ======================= Grid point 281 (56/58) ======================= q-point: (-0.30 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( -1.620 14.376 8.757) 16.911 3.070 ( -0.860 15.020 -7.201) 16.679 3.225 ( -13.818 10.861 -6.373) 18.696 3.405 ( -14.760 20.874 -2.060) 25.647 4.112 ( 4.235 -7.216 1.696) 8.537 4.224 ( -2.207 -0.134 0.619) 2.296 4.707 ( 2.388 -5.947 -3.159) 7.145 5.000 ( 3.145 -0.949 2.929) 4.401 5.559 ( 0.805 -7.571 0.755) 7.651 5.605 ( 1.912 -6.154 5.133) 8.239 5.693 ( -4.268 0.535 0.358) 4.316 5.957 ( -2.178 -2.070 -5.272) 6.068 6.199 ( 5.809 -5.190 -2.378) 8.145 6.279 ( 5.929 -6.427 2.457) 9.083 6.381 ( 5.947 -1.307 8.680) 10.603 6.477 ( -1.052 0.680 3.852) 4.050 6.789 ( -1.707 1.022 -5.469) 5.820 6.815 ( -3.387 -3.389 -6.912) 8.410 6.935 ( 0.795 -8.086 -3.981) 9.048 7.045 ( 2.582 -1.401 0.333) 2.956 7.213 ( -2.759 0.076 5.133) 5.828 7.444 ( 7.027 1.824 5.201) 8.931 7.626 ( -3.322 2.757 -1.251) 4.495 7.683 ( -3.189 3.281 -0.513) 4.604 8.237 ( 1.914 -4.209 4.320) 6.328 8.266 ( -1.460 1.059 1.111) 2.119 8.484 ( -0.002 5.352 -2.053) 5.733 8.531 ( -3.431 6.263 -2.877) 7.699 8.606 ( -2.620 4.912 -4.133) 6.933 8.731 ( -2.110 9.065 -1.327) 9.401 8.767 ( 5.054 -4.570 0.401) 6.826 8.840 ( 1.445 -4.084 -1.328) 4.531 9.160 ( 0.083 1.755 4.334) 4.676 9.464 ( 6.448 1.672 -1.757) 6.889 9.607 ( -1.362 0.001 6.081) 6.231 9.635 ( -5.271 1.448 0.767) 5.520 9.747 ( 4.229 1.310 -1.553) 4.692 9.808 ( 1.288 -1.189 -4.798) 5.108 9.876 ( 1.582 -4.074 -4.226) 6.079 10.012 ( -2.043 0.318 3.956) 4.464 10.028 ( 1.295 -0.915 -1.666) 2.300 10.239 ( -4.121 4.542 -3.545) 7.084 10.342 ( 0.546 -1.071 18.199) 18.239 10.460 ( 4.531 -0.986 -3.682) 5.921 10.798 ( -3.220 -7.305 -1.725) 8.167 10.882 ( 3.610 -12.410 0.535) 12.935 11.153 ( 2.525 -10.422 3.807) 11.380 11.826 ( 0.192 -5.640 -7.221) 9.165 12.213 ( -0.307 6.224 -5.274) 8.164 12.395 ( 1.681 2.138 -0.873) 2.856 12.658 ( -1.524 4.062 -2.192) 4.861 12.776 ( 0.144 1.691 1.884) 2.536 12.805 ( -0.613 -0.955 4.856) 4.987 12.991 ( 0.376 5.564 -3.156) 6.408 13.154 ( -4.549 -0.800 -1.384) 4.822 13.280 ( 1.613 -1.418 0.622) 2.236 13.369 ( -0.433 0.773 1.485) 1.729 13.384 ( -0.285 0.487 -0.428) 0.708 13.603 ( 0.192 0.189 0.253) 0.370 13.668 ( -0.156 0.001 -3.453) 3.457 14.028 ( -4.427 0.366 -5.862) 7.355 14.157 ( -1.990 1.678 -0.624) 2.677 14.229 ( -0.583 5.998 4.267) 7.384 14.353 ( -1.820 1.057 -0.281) 2.123 14.518 ( 7.184 -3.602 -1.698) 8.214 14.609 ( 1.647 -7.839 -1.861) 8.224 14.645 ( -0.294 4.002 1.912) 4.445 14.839 ( -1.309 -0.919 -0.425) 1.655 14.997 ( 3.702 0.186 0.600) 3.754 15.086 ( 4.340 -4.122 -5.930) 8.426 15.134 ( 0.910 -1.284 -8.966) 9.103 15.246 ( -1.546 -3.493 2.988) 4.849 15.777 ( 1.057 7.567 11.731) 14.000 15.986 ( -6.204 8.041 -3.494) 10.740 16.237 ( 1.858 -6.344 5.223) 8.424 16.498 ( 3.155 -2.582 3.848) 5.606 16.764 ( -0.969 -3.210 -0.135) 3.356 16.792 ( -1.189 -3.678 2.249) 4.472 17.339 ( -3.651 4.779 1.803) 6.278 17.517 ( -3.075 7.225 -1.442) 7.984 17.765 ( 1.163 -0.431 1.911) 2.278 17.798 ( 0.793 -2.059 0.192) 2.215 19.744 ( -0.987 2.218 5.907) 6.386 19.880 ( 2.744 -2.822 -8.444) 9.317 ======================= Grid point 290 (57/58) ======================= q-point: (-0.40 0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( 6.571 11.381 2.796) 13.436 3.151 ( 6.817 11.807 0.005) 13.634 3.440 ( 0.975 1.689 -0.890) 2.143 3.713 ( 4.817 8.344 -6.656) 11.710 3.965 ( -3.173 -5.495 4.770) 7.938 4.218 ( -1.754 -3.038 -4.845) 5.982 4.654 ( -1.969 -3.410 -4.146) 5.718 4.953 ( 0.095 0.165 3.221) 3.226 5.526 ( -3.627 -6.283 0.832) 7.302 5.528 ( -2.859 -4.952 3.704) 6.813 5.777 ( -2.681 -4.644 2.869) 6.082 5.974 ( -2.338 -4.050 -2.747) 5.424 6.117 ( 0.273 0.474 -1.861) 1.939 6.148 ( -0.689 -1.194 -1.912) 2.357 6.321 ( 2.022 3.502 8.706) 9.600 6.493 ( -0.131 -0.226 1.684) 1.704 6.773 ( -1.255 -2.173 -6.272) 6.755 6.883 ( -2.668 -4.622 -1.948) 5.681 6.895 ( -2.172 -3.762 -11.434) 12.231 7.011 ( 1.698 2.940 4.301) 5.479 7.273 ( -2.130 -3.689 2.106) 4.751 7.346 ( 4.165 7.213 9.744) 12.819 7.671 ( 0.176 0.305 -5.185) 5.197 7.733 ( -0.221 -0.382 4.921) 4.940 8.196 ( -1.289 -2.232 6.361) 6.864 8.263 ( -1.270 -2.199 0.181) 2.546 8.532 ( 3.357 5.814 -2.336) 7.109 8.581 ( 1.520 2.633 -9.003) 9.502 8.650 ( 2.026 3.509 0.459) 4.078 8.695 ( -0.375 -0.650 4.889) 4.946 8.791 ( -2.074 -3.591 1.318) 4.351 8.838 ( 6.019 10.425 -5.011) 13.039 9.218 ( 1.779 3.081 0.691) 3.624 9.348 ( 2.402 4.161 -1.205) 4.953 9.622 ( 1.544 2.674 7.124) 7.765 9.711 ( -0.600 -1.040 -0.538) 1.316 9.729 ( -1.553 -2.691 -0.443) 3.138 9.805 ( -0.871 -1.509 0.544) 1.826 9.813 ( 0.006 0.010 -8.838) 8.838 10.008 ( 2.220 3.844 -1.539) 4.698 10.036 ( -0.991 -1.716 6.295) 6.599 10.319 ( 0.589 1.020 -3.246) 3.453 10.327 ( 0.108 0.187 14.878) 14.879 10.404 ( 0.448 0.775 -3.586) 3.696 10.769 ( -5.628 -9.749 0.070) 11.257 10.785 ( -4.956 -8.583 -0.331) 9.917 11.077 ( -4.446 -7.700 1.884) 9.089 11.793 ( -3.321 -5.753 -6.029) 8.971 12.258 ( 3.752 6.499 -5.377) 9.231 12.384 ( 2.340 4.052 -0.053) 4.680 12.705 ( 1.135 1.966 -0.813) 2.411 12.773 ( -0.252 -0.437 2.937) 2.980 12.805 ( -0.331 -0.573 2.499) 2.585 13.007 ( 2.876 4.982 -2.703) 6.356 13.221 ( -0.784 -1.358 0.119) 1.573 13.237 ( -0.992 -1.718 0.362) 2.016 13.375 ( 0.062 0.107 -0.382) 0.402 13.388 ( -0.192 -0.332 0.572) 0.689 13.613 ( 0.200 0.346 -0.819) 0.911 13.658 ( 0.298 0.516 -6.127) 6.156 14.106 ( -1.428 -2.474 -4.594) 5.409 14.190 ( -0.362 -0.628 -2.516) 2.618 14.261 ( 2.946 5.103 3.221) 6.715 14.396 ( -1.275 -2.208 1.593) 3.006 14.401 ( 0.436 0.755 0.812) 1.191 14.518 ( -2.510 -4.348 -3.931) 6.376 14.683 ( 2.358 4.084 3.143) 5.668 14.838 ( -0.880 -1.525 -0.543) 1.842 14.972 ( 1.382 2.394 -9.085) 9.496 15.019 ( 1.946 3.370 9.986) 10.718 15.125 ( -2.321 -4.020 -15.676) 16.349 15.242 ( -2.043 -3.539 1.905) 4.509 15.804 ( 4.117 7.130 12.605) 15.056 16.097 ( 1.188 2.057 -2.121) 3.185 16.193 ( -0.530 -0.919 6.554) 6.639 16.440 ( -0.261 -0.451 4.199) 4.232 16.762 ( -2.365 -4.097 0.655) 4.776 16.776 ( -3.260 -5.647 0.155) 6.522 17.402 ( 0.582 1.007 0.487) 1.261 17.580 ( 2.147 3.718 -1.431) 4.526 17.747 ( -0.005 -0.009 -0.430) 0.431 17.779 ( -0.274 -0.475 3.072) 3.120 19.775 ( 0.942 1.632 3.115) 3.640 19.833 ( -0.186 -0.322 -6.222) 6.233 ======================= Grid point 292 (58/58) ======================= q-point: (-0.30 0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.25e-05 2.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( -4.540 7.864 3.866) 9.869 3.331 ( -3.415 5.915 -2.316) 7.212 3.407 ( -5.030 8.713 3.575) 10.677 3.758 ( -7.547 13.072 -2.673) 15.330 3.940 ( 5.098 -8.830 -1.592) 10.320 4.173 ( 2.171 -3.761 -4.814) 6.483 4.619 ( 1.381 -2.392 -4.399) 5.195 4.948 ( 1.542 -2.670 3.205) 4.447 5.453 ( 1.357 -2.350 1.339) 3.026 5.478 ( 2.625 -4.547 2.548) 5.836 5.723 ( -0.524 0.907 3.443) 3.599 5.939 ( 0.058 -0.101 -4.851) 4.853 6.110 ( 1.154 -1.998 -0.813) 2.447 6.145 ( 2.858 -4.950 -0.754) 5.765 6.384 ( -0.481 0.833 5.915) 5.993 6.449 ( 1.349 -2.336 4.872) 5.569 6.784 ( -0.185 0.320 -7.560) 7.569 6.815 ( 1.284 -2.223 -8.141) 8.536 6.834 ( 0.748 -1.296 -7.237) 7.390 7.074 ( -3.252 5.633 4.096) 7.686 7.219 ( 1.109 -1.920 3.232) 3.919 7.459 ( -0.203 0.351 11.562) 11.570 7.672 ( -1.072 1.858 0.560) 2.217 7.695 ( 0.539 -0.934 -0.926) 1.421 8.173 ( 1.093 -1.893 6.667) 7.016 8.236 ( 0.976 -1.691 -1.771) 2.636 8.588 ( -1.745 3.023 -6.928) 7.758 8.607 ( -0.160 0.278 -9.227) 9.232 8.682 ( -0.956 1.657 6.094) 6.387 8.713 ( 1.508 -2.612 7.025) 7.646 8.734 ( -0.728 1.260 -2.106) 2.560 8.993 ( -5.782 10.015 -6.691) 13.361 9.230 ( -2.981 5.163 6.242) 8.632 9.404 ( 4.297 -7.443 3.387) 9.238 9.641 ( -1.317 2.281 0.628) 2.707 9.692 ( -0.573 0.993 2.588) 2.831 9.714 ( 0.126 -0.218 -4.571) 4.578 9.780 ( 0.690 -1.196 -1.074) 1.749 9.822 ( 1.045 -1.810 -8.792) 9.037 10.024 ( -0.763 1.322 4.585) 4.833 10.044 ( -0.419 0.726 -2.721) 2.848 10.325 ( -0.738 1.278 10.892) 10.992 10.328 ( -1.380 2.390 6.219) 6.804 10.420 ( 2.026 -3.510 1.878) 4.467 10.672 ( 2.354 -4.077 -1.143) 4.844 10.672 ( 3.647 -6.316 -3.052) 7.906 10.994 ( 2.619 -4.536 1.178) 5.369 11.726 ( 1.779 -3.082 -5.769) 6.778 12.333 ( -2.336 4.046 -4.434) 6.441 12.429 ( -0.572 0.990 -0.691) 1.336 12.719 ( -1.307 2.264 -0.343) 2.636 12.768 ( 1.133 -1.963 3.493) 4.164 12.799 ( -0.163 0.282 1.348) 1.386 13.104 ( -2.320 4.019 -3.038) 5.547 13.152 ( -0.991 1.717 -0.221) 1.995 13.229 ( 2.143 -3.711 0.491) 4.313 13.379 ( -0.099 0.172 0.568) 0.602 13.382 ( 0.197 -0.341 -0.474) 0.617 13.623 ( -0.989 1.713 -3.239) 3.795 13.667 ( 0.543 -0.941 -5.021) 5.137 14.074 ( -2.555 4.426 -4.776) 6.995 14.171 ( 0.721 -1.249 -1.558) 2.123 14.333 ( -1.946 3.371 3.769) 5.418 14.367 ( -0.961 1.664 -0.194) 1.931 14.403 ( 3.006 -5.206 0.868) 6.074 14.470 ( 3.290 -5.698 -1.932) 6.857 14.734 ( -2.243 3.885 1.668) 4.786 14.813 ( 1.123 -1.945 0.719) 2.359 15.003 ( 1.340 -2.321 -14.573) 14.817 15.050 ( -2.249 3.895 0.914) 4.590 15.124 ( 0.790 -1.368 -7.799) 7.957 15.164 ( 1.962 -3.399 7.079) 8.094 15.914 ( -3.111 5.389 12.872) 14.297 16.042 ( 1.500 -2.599 9.917) 10.361 16.252 ( -4.076 7.061 -2.419) 8.504 16.430 ( 2.762 -4.784 0.442) 5.541 16.699 ( 1.371 -2.375 1.772) 3.265 16.716 ( 1.524 -2.639 1.153) 3.258 17.412 ( -1.229 2.129 -0.148) 2.463 17.618 ( -1.495 2.589 -2.129) 3.671 17.760 ( 0.516 -0.894 0.532) 1.161 17.762 ( 0.160 -0.277 2.328) 2.350 19.790 ( -1.198 2.075 1.373) 2.761 19.834 ( 1.067 -1.848 -4.270) 4.773 =================== 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 3/42000 10.0 3070.623 3070.623 2333.977 0.000 0.000 0.000 3/42000 20.0 2088.817 2088.817 2197.845 -0.000 0.000 0.000 3/42000 30.0 926.221 926.221 1055.064 0.000 0.000 0.000 3/42000 40.0 379.072 379.072 441.876 0.000 0.000 0.000 3/42000 50.0 172.836 172.836 200.607 0.000 0.000 0.000 3/42000 60.0 91.633 91.633 105.502 0.000 0.000 0.000 3/42000 70.0 55.238 55.238 63.187 0.000 0.000 0.000 3/42000 80.0 36.730 36.730 41.824 0.000 0.000 0.000 3/42000 90.0 26.286 26.286 29.837 0.000 0.000 0.000 3/42000 100.0 19.886 19.886 22.525 0.000 0.000 0.000 3/42000 110.0 15.700 15.700 17.759 0.000 0.000 0.000 3/42000 120.0 12.816 12.816 14.485 0.000 0.000 0.000 3/42000 130.0 10.743 10.743 12.137 0.000 0.000 0.000 3/42000 140.0 9.201 9.201 10.393 0.000 0.000 0.000 3/42000 150.0 8.020 8.020 9.059 0.000 0.000 0.000 3/42000 160.0 7.093 7.093 8.014 0.000 0.000 0.000 3/42000 170.0 6.350 6.350 7.176 0.000 0.000 0.000 3/42000 180.0 5.743 5.743 6.493 0.000 0.000 0.000 3/42000 190.0 5.241 5.241 5.928 0.000 0.000 0.000 3/42000 200.0 4.818 4.818 5.452 0.000 0.000 0.000 3/42000 210.0 4.458 4.458 5.048 0.000 0.000 0.000 3/42000 220.0 4.149 4.149 4.700 0.000 0.000 0.000 3/42000 230.0 3.880 3.880 4.398 0.000 0.000 0.000 3/42000 240.0 3.645 3.645 4.134 0.000 0.000 0.000 3/42000 250.0 3.437 3.437 3.900 0.000 0.000 0.000 3/42000 260.0 3.253 3.253 3.692 0.000 0.000 0.000 3/42000 270.0 3.088 3.088 3.507 0.000 0.000 0.000 3/42000 280.0 2.939 2.939 3.339 0.000 0.000 0.000 3/42000 290.0 2.805 2.805 3.188 0.000 0.000 0.000 3/42000 300.0 2.682 2.682 3.050 0.000 0.000 0.000 3/42000 310.0 2.571 2.571 2.925 0.000 0.000 0.000 3/42000 320.0 2.469 2.469 2.809 0.000 0.000 0.000 3/42000 330.0 2.374 2.374 2.703 0.000 0.000 0.000 3/42000 340.0 2.288 2.288 2.605 0.000 0.000 0.000 3/42000 350.0 2.207 2.207 2.515 0.000 0.000 0.000 3/42000 360.0 2.132 2.132 2.430 0.000 0.000 0.000 3/42000 370.0 2.063 2.063 2.352 0.000 0.000 0.000 3/42000 380.0 1.998 1.998 2.278 0.000 0.000 0.000 3/42000 390.0 1.937 1.937 2.209 0.000 0.000 0.000 3/42000 400.0 1.880 1.880 2.145 0.000 0.000 0.000 3/42000 410.0 1.826 1.826 2.084 0.000 0.000 0.000 3/42000 420.0 1.776 1.776 2.027 0.000 0.000 0.000 3/42000 430.0 1.728 1.728 1.973 0.000 0.000 0.000 3/42000 440.0 1.683 1.683 1.922 0.000 0.000 0.000 3/42000 450.0 1.640 1.640 1.873 0.000 0.000 0.000 3/42000 460.0 1.600 1.600 1.827 0.000 0.000 0.000 3/42000 470.0 1.561 1.561 1.784 0.000 0.000 0.000 3/42000 480.0 1.525 1.525 1.742 0.000 0.000 0.000 3/42000 490.0 1.490 1.490 1.703 0.000 0.000 0.000 3/42000 500.0 1.456 1.456 1.665 0.000 0.000 0.000 3/42000 510.0 1.425 1.425 1.629 0.000 0.000 0.000 3/42000 520.0 1.394 1.394 1.594 0.000 0.000 0.000 3/42000 530.0 1.365 1.365 1.561 0.000 0.000 0.000 3/42000 540.0 1.338 1.338 1.530 0.000 0.000 0.000 3/42000 550.0 1.311 1.311 1.500 0.000 0.000 0.000 3/42000 560.0 1.285 1.285 1.470 0.000 0.000 0.000 3/42000 570.0 1.261 1.261 1.443 0.000 0.000 0.000 3/42000 580.0 1.237 1.237 1.416 0.000 0.000 0.000 3/42000 590.0 1.214 1.214 1.390 0.000 0.000 0.000 3/42000 600.0 1.193 1.193 1.365 0.000 0.000 0.000 3/42000 610.0 1.171 1.171 1.341 0.000 0.000 0.000 3/42000 620.0 1.151 1.151 1.318 0.000 0.000 0.000 3/42000 630.0 1.132 1.132 1.295 0.000 0.000 0.000 3/42000 640.0 1.113 1.113 1.274 0.000 0.000 0.000 3/42000 650.0 1.094 1.094 1.253 0.000 0.000 0.000 3/42000 660.0 1.077 1.077 1.233 0.000 0.000 0.000 3/42000 670.0 1.060 1.060 1.213 0.000 0.000 0.000 3/42000 680.0 1.043 1.043 1.195 0.000 0.000 0.000 3/42000 690.0 1.027 1.027 1.176 0.000 0.000 0.000 3/42000 700.0 1.011 1.011 1.159 0.000 0.000 0.000 3/42000 710.0 0.996 0.996 1.141 0.000 0.000 0.000 3/42000 720.0 0.982 0.982 1.125 0.000 0.000 0.000 3/42000 730.0 0.968 0.968 1.109 0.000 0.000 0.000 3/42000 740.0 0.954 0.954 1.093 0.000 0.000 0.000 3/42000 750.0 0.940 0.940 1.078 0.000 0.000 0.000 3/42000 760.0 0.927 0.927 1.063 0.000 0.000 0.000 3/42000 770.0 0.915 0.915 1.048 0.000 0.000 0.000 3/42000 780.0 0.903 0.903 1.034 0.000 0.000 0.000 3/42000 790.0 0.891 0.891 1.021 0.000 0.000 0.000 3/42000 800.0 0.879 0.879 1.007 0.000 0.000 0.000 3/42000 810.0 0.868 0.868 0.994 0.000 0.000 0.000 3/42000 820.0 0.857 0.857 0.982 0.000 0.000 0.000 3/42000 830.0 0.846 0.846 0.970 0.000 0.000 0.000 3/42000 840.0 0.835 0.835 0.958 0.000 0.000 0.000 3/42000 850.0 0.825 0.825 0.946 0.000 0.000 0.000 3/42000 860.0 0.815 0.815 0.934 0.000 0.000 0.000 3/42000 870.0 0.805 0.805 0.923 0.000 0.000 0.000 3/42000 880.0 0.796 0.796 0.913 0.000 0.000 0.000 3/42000 890.0 0.787 0.787 0.902 0.000 0.000 0.000 3/42000 900.0 0.778 0.778 0.892 0.000 0.000 0.000 3/42000 910.0 0.769 0.769 0.881 0.000 0.000 0.000 3/42000 920.0 0.760 0.760 0.872 0.000 0.000 0.000 3/42000 930.0 0.752 0.752 0.862 0.000 0.000 0.000 3/42000 940.0 0.743 0.743 0.852 0.000 0.000 0.000 3/42000 950.0 0.735 0.735 0.843 0.000 0.000 0.000 3/42000 960.0 0.727 0.727 0.834 0.000 0.000 0.000 3/42000 970.0 0.720 0.720 0.825 0.000 0.000 0.000 3/42000 980.0 0.712 0.712 0.817 0.000 0.000 0.000 3/42000 990.0 0.705 0.705 0.808 0.000 0.000 0.000 3/42000 1000.0 0.697 0.697 0.800 0.000 0.000 0.000 3/42000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:33:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|