----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:03:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.736303470138200 0.000000000000000 0.000000000000000 b 0.000000000000000 12.661936489999997 0.000000000000000 c -3.477892646803160 0.000000000000000 7.837916377657409 Atomic positions (fractional): *1 Ba 0.73083858526956 0.06979022285446 0.19855011631991 137.327 2 Ba 0.26916141473044 0.56979022285446 0.30144988368009 137.327 3 Ba 0.26916141473044 0.93020977714554 0.80144988368009 137.327 4 Ba 0.73083858526956 0.43020977714554 0.69855011631991 137.327 *5 Ba 0.05849357587811 0.20464077464792 0.67811949364886 137.327 6 Ba 0.94150642412189 0.70464077464792 0.82188050635114 137.327 7 Ba 0.94150642412189 0.79535922535208 0.32188050635114 137.327 8 Ba 0.05849357587811 0.29535922535208 0.17811949364886 137.327 *9 Ba 0.50233239952554 0.66421684752101 0.00859180433049 137.327 10 Ba 0.49766760047446 0.16421684752101 0.49140819566951 137.327 11 Ba 0.49766760047446 0.33578315247899 0.99140819566951 137.327 12 Ba 0.50233239952554 0.83578315247899 0.50859180433049 137.327 *13 Sn 0.16512632818173 0.99394716968724 0.13996305694125 118.710 14 Sn 0.83487367181827 0.49394716968725 0.36003694305875 118.710 15 Sn 0.83487367181827 0.00605283031276 0.86003694305875 118.710 16 Sn 0.16512632818173 0.50605283031276 0.63996305694125 118.710 *17 P 0.75643107293330 0.19810257266585 0.87339604669225 30.974 18 P 0.24356892706670 0.69810257266585 0.62660395330775 30.974 19 P 0.24356892706670 0.80189742733415 0.12660395330775 30.974 20 P 0.75643107293330 0.30189742733415 0.37339604669225 30.974 *21 P 0.84449946876674 0.97022196880444 0.57874253469158 30.974 22 P 0.15550053123326 0.47022196880444 0.92125746530842 30.974 23 P 0.15550053123326 0.02977803119556 0.42125746530842 30.974 24 P 0.84449946876674 0.52977803119556 0.07874253469158 30.974 *25 P 0.33336490116722 0.36598311160039 0.56774827416687 30.974 26 P 0.66663509883278 0.86598311160039 0.93225172583313 30.974 27 P 0.66663509883278 0.63401688839961 0.43225172583313 30.974 28 P 0.33336490116722 0.13401688839961 0.06774827416687 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.736303470138200 0.000000000000000 0.000000000000000 b 0.000000000000000 12.661936489999997 0.000000000000000 c -3.477892646803160 0.000000000000000 7.837916377657409 Atomic positions (fractional): *1 Ba 0.73083858526956 0.06979022285446 0.19855011631991 137.327 > 1 2 Ba 0.26916141473044 0.56979022285446 0.30144988368009 137.327 > 2 3 Ba 0.26916141473044 0.93020977714554 0.80144988368009 137.327 > 3 4 Ba 0.73083858526956 0.43020977714554 0.69855011631991 137.327 > 4 *5 Ba 0.05849357587811 0.20464077464792 0.67811949364886 137.327 > 5 6 Ba 0.94150642412189 0.70464077464792 0.82188050635114 137.327 > 6 7 Ba 0.94150642412189 0.79535922535208 0.32188050635114 137.327 > 7 8 Ba 0.05849357587811 0.29535922535208 0.17811949364886 137.327 > 8 *9 Ba 0.50233239952554 0.66421684752101 0.00859180433049 137.327 > 9 10 Ba 0.49766760047446 0.16421684752101 0.49140819566951 137.327 > 10 11 Ba 0.49766760047446 0.33578315247899 0.99140819566951 137.327 > 11 12 Ba 0.50233239952554 0.83578315247899 0.50859180433049 137.327 > 12 *13 Sn 0.16512632818173 0.99394716968724 0.13996305694125 118.710 > 13 14 Sn 0.83487367181827 0.49394716968725 0.36003694305875 118.710 > 14 15 Sn 0.83487367181827 0.00605283031276 0.86003694305875 118.710 > 15 16 Sn 0.16512632818173 0.50605283031276 0.63996305694125 118.710 > 16 *17 P 0.75643107293330 0.19810257266585 0.87339604669225 30.974 > 17 18 P 0.24356892706670 0.69810257266585 0.62660395330775 30.974 > 18 19 P 0.24356892706670 0.80189742733415 0.12660395330775 30.974 > 19 20 P 0.75643107293330 0.30189742733415 0.37339604669225 30.974 > 20 *21 P 0.84449946876674 0.97022196880444 0.57874253469158 30.974 > 21 22 P 0.15550053123326 0.47022196880444 0.92125746530842 30.974 > 22 23 P 0.15550053123326 0.02977803119556 0.42125746530842 30.974 > 23 24 P 0.84449946876674 0.52977803119556 0.07874253469158 30.974 > 24 *25 P 0.33336490116722 0.36598311160039 0.56774827416687 30.974 > 25 26 P 0.66663509883278 0.86598311160039 0.93225172583313 30.974 > 26 27 P 0.66663509883278 0.63401688839961 0.43225172583313 30.974 > 27 28 P 0.33336490116722 0.13401688839961 0.06774827416687 30.974 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.472606940276400 0.000000000000000 0.000000000000000 b 0.000000000000000 12.661936489999997 0.000000000000000 c -6.955785293606320 0.000000000000000 15.675832755314818 Atomic positions (fractional): *1 Ba 0.36541929263478 0.06979022285446 0.09927505815995 137.327 > 1 2 Ba 0.86541929263478 0.06979022285446 0.09927505815995 137.327 > 1 3 Ba 0.36541929263478 0.06979022285446 0.59927505815995 137.327 > 1 4 Ba 0.86541929263478 0.06979022285446 0.59927505815995 137.327 > 1 5 Ba 0.13458070736522 0.56979022285446 0.15072494184005 137.327 > 2 6 Ba 0.63458070736522 0.56979022285446 0.15072494184005 137.327 > 2 7 Ba 0.13458070736522 0.56979022285446 0.65072494184005 137.327 > 2 8 Ba 0.63458070736522 0.56979022285446 0.65072494184005 137.327 > 2 9 Ba 0.13458070736522 0.93020977714554 0.40072494184005 137.327 > 3 10 Ba 0.63458070736522 0.93020977714554 0.40072494184005 137.327 > 3 11 Ba 0.13458070736522 0.93020977714554 0.90072494184005 137.327 > 3 12 Ba 0.63458070736522 0.93020977714554 0.90072494184005 137.327 > 3 13 Ba 0.36541929263478 0.43020977714554 0.34927505815995 137.327 > 4 14 Ba 0.86541929263478 0.43020977714554 0.34927505815995 137.327 > 4 15 Ba 0.36541929263478 0.43020977714554 0.84927505815995 137.327 > 4 16 Ba 0.86541929263478 0.43020977714554 0.84927505815995 137.327 > 4 *17 Ba 0.02924678793906 0.20464077464792 0.33905974682443 137.327 > 5 18 Ba 0.52924678793906 0.20464077464792 0.33905974682443 137.327 > 5 19 Ba 0.02924678793906 0.20464077464792 0.83905974682443 137.327 > 5 20 Ba 0.52924678793906 0.20464077464792 0.83905974682443 137.327 > 5 21 Ba 0.47075321206094 0.70464077464792 0.41094025317557 137.327 > 6 22 Ba 0.97075321206094 0.70464077464792 0.41094025317557 137.327 > 6 23 Ba 0.47075321206094 0.70464077464792 0.91094025317557 137.327 > 6 24 Ba 0.97075321206094 0.70464077464792 0.91094025317557 137.327 > 6 25 Ba 0.47075321206094 0.79535922535208 0.16094025317557 137.327 > 7 26 Ba 0.97075321206094 0.79535922535208 0.16094025317557 137.327 > 7 27 Ba 0.47075321206094 0.79535922535208 0.66094025317557 137.327 > 7 28 Ba 0.97075321206094 0.79535922535208 0.66094025317557 137.327 > 7 29 Ba 0.02924678793906 0.29535922535208 0.08905974682443 137.327 > 8 30 Ba 0.52924678793906 0.29535922535208 0.08905974682443 137.327 > 8 31 Ba 0.02924678793906 0.29535922535208 0.58905974682443 137.327 > 8 32 Ba 0.52924678793906 0.29535922535208 0.58905974682443 137.327 > 8 *33 Ba 0.25116619976277 0.66421684752101 0.00429590216525 137.327 > 9 34 Ba 0.75116619976277 0.66421684752101 0.00429590216525 137.327 > 9 35 Ba 0.25116619976277 0.66421684752101 0.50429590216525 137.327 > 9 36 Ba 0.75116619976277 0.66421684752101 0.50429590216525 137.327 > 9 37 Ba 0.24883380023723 0.16421684752101 0.24570409783475 137.327 > 10 38 Ba 0.74883380023723 0.16421684752101 0.24570409783475 137.327 > 10 39 Ba 0.24883380023723 0.16421684752101 0.74570409783475 137.327 > 10 40 Ba 0.74883380023723 0.16421684752101 0.74570409783475 137.327 > 10 41 Ba 0.24883380023723 0.33578315247899 0.49570409783475 137.327 > 11 42 Ba 0.74883380023723 0.33578315247899 0.49570409783475 137.327 > 11 43 Ba 0.24883380023723 0.33578315247899 0.99570409783475 137.327 > 11 44 Ba 0.74883380023723 0.33578315247899 0.99570409783475 137.327 > 11 45 Ba 0.25116619976277 0.83578315247899 0.25429590216525 137.327 > 12 46 Ba 0.75116619976277 0.83578315247899 0.25429590216525 137.327 > 12 47 Ba 0.25116619976277 0.83578315247899 0.75429590216525 137.327 > 12 48 Ba 0.75116619976277 0.83578315247899 0.75429590216525 137.327 > 12 *49 Sn 0.08256316409087 0.99394716968724 0.06998152847062 118.710 > 13 50 Sn 0.58256316409087 0.99394716968724 0.06998152847062 118.710 > 13 51 Sn 0.08256316409087 0.99394716968724 0.56998152847062 118.710 > 13 52 Sn 0.58256316409087 0.99394716968724 0.56998152847062 118.710 > 13 53 Sn 0.41743683590913 0.49394716968725 0.18001847152938 118.710 > 14 54 Sn 0.91743683590913 0.49394716968725 0.18001847152938 118.710 > 14 55 Sn 0.41743683590913 0.49394716968725 0.68001847152938 118.710 > 14 56 Sn 0.91743683590913 0.49394716968725 0.68001847152938 118.710 > 14 57 Sn 0.41743683590913 0.00605283031276 0.43001847152938 118.710 > 15 58 Sn 0.91743683590913 0.00605283031276 0.43001847152938 118.710 > 15 59 Sn 0.41743683590913 0.00605283031276 0.93001847152938 118.710 > 15 60 Sn 0.91743683590913 0.00605283031276 0.93001847152938 118.710 > 15 61 Sn 0.08256316409087 0.50605283031276 0.31998152847062 118.710 > 16 62 Sn 0.58256316409087 0.50605283031276 0.31998152847062 118.710 > 16 63 Sn 0.08256316409087 0.50605283031276 0.81998152847062 118.710 > 16 64 Sn 0.58256316409087 0.50605283031276 0.81998152847062 118.710 > 16 *65 P 0.37821553646665 0.19810257266585 0.43669802334612 30.974 > 17 66 P 0.87821553646665 0.19810257266585 0.43669802334612 30.974 > 17 67 P 0.37821553646665 0.19810257266585 0.93669802334612 30.974 > 17 68 P 0.87821553646665 0.19810257266585 0.93669802334612 30.974 > 17 69 P 0.12178446353335 0.69810257266585 0.31330197665388 30.974 > 18 70 P 0.62178446353335 0.69810257266585 0.31330197665388 30.974 > 18 71 P 0.12178446353335 0.69810257266585 0.81330197665388 30.974 > 18 72 P 0.62178446353335 0.69810257266585 0.81330197665388 30.974 > 18 73 P 0.12178446353335 0.80189742733415 0.06330197665388 30.974 > 19 74 P 0.62178446353335 0.80189742733415 0.06330197665388 30.974 > 19 75 P 0.12178446353335 0.80189742733415 0.56330197665388 30.974 > 19 76 P 0.62178446353335 0.80189742733415 0.56330197665388 30.974 > 19 77 P 0.37821553646665 0.30189742733415 0.18669802334612 30.974 > 20 78 P 0.87821553646665 0.30189742733415 0.18669802334612 30.974 > 20 79 P 0.37821553646665 0.30189742733415 0.68669802334612 30.974 > 20 80 P 0.87821553646665 0.30189742733415 0.68669802334612 30.974 > 20 *81 P 0.42224973438337 0.97022196880444 0.28937126734579 30.974 > 21 82 P 0.92224973438337 0.97022196880444 0.28937126734579 30.974 > 21 83 P 0.42224973438337 0.97022196880444 0.78937126734579 30.974 > 21 84 P 0.92224973438337 0.97022196880444 0.78937126734579 30.974 > 21 85 P 0.07775026561663 0.47022196880444 0.46062873265421 30.974 > 22 86 P 0.57775026561663 0.47022196880444 0.46062873265421 30.974 > 22 87 P 0.07775026561663 0.47022196880444 0.96062873265421 30.974 > 22 88 P 0.57775026561663 0.47022196880444 0.96062873265421 30.974 > 22 89 P 0.07775026561663 0.02977803119556 0.21062873265421 30.974 > 23 90 P 0.57775026561663 0.02977803119556 0.21062873265421 30.974 > 23 91 P 0.07775026561663 0.02977803119556 0.71062873265421 30.974 > 23 92 P 0.57775026561663 0.02977803119556 0.71062873265421 30.974 > 23 93 P 0.42224973438337 0.52977803119556 0.03937126734579 30.974 > 24 94 P 0.92224973438337 0.52977803119556 0.03937126734579 30.974 > 24 95 P 0.42224973438337 0.52977803119556 0.53937126734579 30.974 > 24 96 P 0.92224973438337 0.52977803119556 0.53937126734579 30.974 > 24 *97 P 0.16668245058361 0.36598311160039 0.28387413708343 30.974 > 25 98 P 0.66668245058361 0.36598311160039 0.28387413708343 30.974 > 25 99 P 0.16668245058361 0.36598311160039 0.78387413708343 30.974 > 25 100 P 0.66668245058361 0.36598311160039 0.78387413708343 30.974 > 25 101 P 0.33331754941639 0.86598311160039 0.46612586291657 30.974 > 26 102 P 0.83331754941639 0.86598311160039 0.46612586291657 30.974 > 26 103 P 0.33331754941639 0.86598311160039 0.96612586291657 30.974 > 26 104 P 0.83331754941639 0.86598311160039 0.96612586291657 30.974 > 26 105 P 0.33331754941639 0.63401688839961 0.21612586291657 30.974 > 27 106 P 0.83331754941639 0.63401688839961 0.21612586291657 30.974 > 27 107 P 0.33331754941639 0.63401688839961 0.71612586291657 30.974 > 27 108 P 0.83331754941639 0.63401688839961 0.71612586291657 30.974 > 27 109 P 0.16668245058361 0.13401688839961 0.03387413708343 30.974 > 28 110 P 0.66668245058361 0.13401688839961 0.03387413708343 30.974 > 28 111 P 0.16668245058361 0.13401688839961 0.53387413708343 30.974 > 28 112 P 0.66668245058361 0.13401688839961 0.53387413708343 30.974 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.3345698 0.0000000 0.6323456 0.0000000 11.7762917 0.0000000 0.6323308 0.0000000 12.0345616 -------------------------- Born effective charges -------------------------- 1 Ba 3.2164218 -0.3643640 -0.1915983 -0.3963258 2.5941960 0.5101113 -0.3308947 0.1295081 3.2147606 2 Ba 3.2164218 0.3643640 -0.1915983 0.3963258 2.5941960 -0.5101113 -0.3308947 -0.1295081 3.2147606 3 Ba 3.2164218 -0.3643640 -0.1915983 -0.3963258 2.5941960 0.5101113 -0.3308947 0.1295081 3.2147606 4 Ba 3.2164218 0.3643640 -0.1915983 0.3963258 2.5941960 -0.5101113 -0.3308947 -0.1295081 3.2147606 5 Ba 2.0431763 0.1952270 -0.3001599 0.1801528 3.0847478 -0.5908205 -0.2641436 -0.1752185 2.7507651 6 Ba 2.0431763 -0.1952270 -0.3001599 -0.1801528 3.0847478 0.5908205 -0.2641436 0.1752185 2.7507651 7 Ba 2.0431763 0.1952270 -0.3001599 0.1801528 3.0847478 -0.5908205 -0.2641436 -0.1752185 2.7507651 8 Ba 2.0431763 -0.1952270 -0.3001599 -0.1801528 3.0847478 0.5908205 -0.2641436 0.1752185 2.7507651 9 Ba 3.3142874 0.4210146 0.7060671 0.0386585 2.8208587 -0.1286468 0.8908513 -0.3680158 2.7837611 10 Ba 3.3142874 -0.4210146 0.7060671 -0.0386585 2.8208587 0.1286468 0.8908513 0.3680158 2.7837611 11 Ba 3.3142874 0.4210146 0.7060671 0.0386585 2.8208587 -0.1286468 0.8908513 -0.3680158 2.7837611 12 Ba 3.3142874 -0.4210146 0.7060671 -0.0386585 2.8208587 0.1286468 0.8908513 0.3680158 2.7837611 13 Sn 1.4970946 -0.0209640 -0.4736333 0.1887887 2.5879493 -0.1076747 -0.0882116 0.0004079 1.9245768 14 Sn 1.4970946 0.0209640 -0.4736333 -0.1887887 2.5879493 0.1076747 -0.0882116 -0.0004079 1.9245768 15 Sn 1.4970946 -0.0209640 -0.4736333 0.1887887 2.5879493 -0.1076747 -0.0882116 0.0004079 1.9245768 16 Sn 1.4970946 0.0209640 -0.4736333 -0.1887887 2.5879493 0.1076747 -0.0882116 -0.0004079 1.9245768 17 P -3.1084588 1.4223585 -0.0590144 0.4084000 -4.3846645 0.2375784 -0.0343995 0.7697837 -3.3469562 18 P -3.1084588 -1.4223585 -0.0590144 -0.4084000 -4.3846645 -0.2375784 -0.0343995 -0.7697837 -3.3469562 19 P -3.1084588 1.4223585 -0.0590144 0.4084000 -4.3846645 0.2375784 -0.0343995 0.7697837 -3.3469562 20 P -3.1084588 -1.4223585 -0.0590144 -0.4084000 -4.3846645 -0.2375784 -0.0343995 -0.7697837 -3.3469562 21 P -2.6499172 0.2827792 0.1704332 0.2116226 -3.0424025 0.0305428 0.1078394 -0.4205301 -4.1949076 22 P -2.6499172 -0.2827792 0.1704332 -0.2116226 -3.0424025 -0.0305428 0.1078394 0.4205301 -4.1949076 23 P -2.6499172 0.2827792 0.1704332 0.2116226 -3.0424025 0.0305428 0.1078394 -0.4205301 -4.1949076 24 P -2.6499172 -0.2827792 0.1704332 -0.2116226 -3.0424025 -0.0305428 0.1078394 0.4205301 -4.1949076 25 P -4.3126041 1.3860228 0.1479056 1.0439170 -3.6606848 -0.1052585 -0.2810413 0.1244740 -3.1319998 26 P -4.3126041 -1.3860228 0.1479056 -1.0439170 -3.6606848 0.1052585 -0.2810413 -0.1244740 -3.1319998 27 P -4.3126041 1.3860228 0.1479056 1.0439170 -3.6606848 -0.1052585 -0.2810413 0.1244740 -3.1319998 28 P -4.3126041 -1.3860228 0.1479056 -1.0439170 -3.6606848 0.1052585 -0.2810413 -0.1244740 -3.1319998 ---------------------------------------------------------------------------- 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: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.095 Solver_block: 200 / 880 - Time: 0.932 Solver_block: 300 / 880 - Time: 0.937 Solver_block: 400 / 880 - Time: 0.932 Solver_block: 500 / 880 - Time: 0.938 Solver_block: 600 / 880 - Time: 0.955 Solver_block: 700 / 880 - Time: 0.941 Solver_block: 800 / 880 - Time: 0.952 Solver_block: 880 / 880 - Time: 0.777 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.632 --------------------------------- 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: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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 10:04:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:04:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.736303470138200 0.000000000000000 0.000000000000000 b 0.000000000000000 12.661936489999997 0.000000000000000 c -3.477892646803160 0.000000000000000 7.837916377657409 Atomic positions (fractional): 1 Ba 0.73083858526956 0.06979022285446 0.19855011631991 137.327 2 Ba 0.26916141473044 0.56979022285446 0.30144988368009 137.327 3 Ba 0.26916141473044 0.93020977714554 0.80144988368009 137.327 4 Ba 0.73083858526956 0.43020977714554 0.69855011631991 137.327 5 Ba 0.05849357587811 0.20464077464792 0.67811949364886 137.327 6 Ba 0.94150642412189 0.70464077464792 0.82188050635114 137.327 7 Ba 0.94150642412189 0.79535922535208 0.32188050635114 137.327 8 Ba 0.05849357587811 0.29535922535208 0.17811949364886 137.327 9 Ba 0.50233239952554 0.66421684752101 0.00859180433049 137.327 10 Ba 0.49766760047446 0.16421684752101 0.49140819566951 137.327 11 Ba 0.49766760047446 0.33578315247899 0.99140819566951 137.327 12 Ba 0.50233239952554 0.83578315247899 0.50859180433049 137.327 13 Sn 0.16512632818173 0.99394716968724 0.13996305694125 118.710 14 Sn 0.83487367181827 0.49394716968725 0.36003694305875 118.710 15 Sn 0.83487367181827 0.00605283031276 0.86003694305875 118.710 16 Sn 0.16512632818173 0.50605283031276 0.63996305694125 118.710 17 P 0.75643107293330 0.19810257266585 0.87339604669225 30.974 18 P 0.24356892706670 0.69810257266585 0.62660395330775 30.974 19 P 0.24356892706670 0.80189742733415 0.12660395330775 30.974 20 P 0.75643107293330 0.30189742733415 0.37339604669225 30.974 21 P 0.84449946876674 0.97022196880444 0.57874253469158 30.974 22 P 0.15550053123326 0.47022196880444 0.92125746530842 30.974 23 P 0.15550053123326 0.02977803119556 0.42125746530842 30.974 24 P 0.84449946876674 0.52977803119556 0.07874253469158 30.974 25 P 0.33336490116722 0.36598311160039 0.56774827416687 30.974 26 P 0.66663509883278 0.86598311160039 0.93225172583313 30.974 27 P 0.66663509883278 0.63401688839961 0.43225172583313 30.974 28 P 0.33336490116722 0.13401688839961 0.06774827416687 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.472606940276400 0.000000000000000 0.000000000000000 b 0.000000000000000 12.661936489999997 0.000000000000000 c -6.955785293606320 0.000000000000000 15.675832755314818 Atomic positions (fractional): 1 Ba 0.36541929263478 0.06979022285446 0.09927505815995 137.327 > 1 2 Ba 0.86541929263478 0.06979022285446 0.09927505815995 137.327 > 1 3 Ba 0.36541929263478 0.06979022285446 0.59927505815995 137.327 > 1 4 Ba 0.86541929263478 0.06979022285446 0.59927505815995 137.327 > 1 5 Ba 0.13458070736522 0.56979022285446 0.15072494184005 137.327 > 5 6 Ba 0.63458070736522 0.56979022285446 0.15072494184005 137.327 > 5 7 Ba 0.13458070736522 0.56979022285446 0.65072494184005 137.327 > 5 8 Ba 0.63458070736522 0.56979022285446 0.65072494184005 137.327 > 5 9 Ba 0.13458070736522 0.93020977714554 0.40072494184005 137.327 > 9 10 Ba 0.63458070736522 0.93020977714554 0.40072494184005 137.327 > 9 11 Ba 0.13458070736522 0.93020977714554 0.90072494184005 137.327 > 9 12 Ba 0.63458070736522 0.93020977714554 0.90072494184005 137.327 > 9 13 Ba 0.36541929263478 0.43020977714554 0.34927505815995 137.327 > 13 14 Ba 0.86541929263478 0.43020977714554 0.34927505815995 137.327 > 13 15 Ba 0.36541929263478 0.43020977714554 0.84927505815995 137.327 > 13 16 Ba 0.86541929263478 0.43020977714554 0.84927505815995 137.327 > 13 17 Ba 0.02924678793906 0.20464077464792 0.33905974682443 137.327 > 17 18 Ba 0.52924678793906 0.20464077464792 0.33905974682443 137.327 > 17 19 Ba 0.02924678793906 0.20464077464792 0.83905974682443 137.327 > 17 20 Ba 0.52924678793906 0.20464077464792 0.83905974682443 137.327 > 17 21 Ba 0.47075321206094 0.70464077464792 0.41094025317557 137.327 > 21 22 Ba 0.97075321206094 0.70464077464792 0.41094025317557 137.327 > 21 23 Ba 0.47075321206094 0.70464077464792 0.91094025317557 137.327 > 21 24 Ba 0.97075321206094 0.70464077464792 0.91094025317557 137.327 > 21 25 Ba 0.47075321206094 0.79535922535208 0.16094025317557 137.327 > 25 26 Ba 0.97075321206094 0.79535922535208 0.16094025317557 137.327 > 25 27 Ba 0.47075321206094 0.79535922535208 0.66094025317557 137.327 > 25 28 Ba 0.97075321206094 0.79535922535208 0.66094025317557 137.327 > 25 29 Ba 0.02924678793906 0.29535922535208 0.08905974682443 137.327 > 29 30 Ba 0.52924678793906 0.29535922535208 0.08905974682443 137.327 > 29 31 Ba 0.02924678793906 0.29535922535208 0.58905974682443 137.327 > 29 32 Ba 0.52924678793906 0.29535922535208 0.58905974682443 137.327 > 29 33 Ba 0.25116619976277 0.66421684752101 0.00429590216525 137.327 > 33 34 Ba 0.75116619976277 0.66421684752101 0.00429590216525 137.327 > 33 35 Ba 0.25116619976277 0.66421684752101 0.50429590216525 137.327 > 33 36 Ba 0.75116619976277 0.66421684752101 0.50429590216525 137.327 > 33 37 Ba 0.24883380023723 0.16421684752101 0.24570409783475 137.327 > 37 38 Ba 0.74883380023723 0.16421684752101 0.24570409783475 137.327 > 37 39 Ba 0.24883380023723 0.16421684752101 0.74570409783475 137.327 > 37 40 Ba 0.74883380023723 0.16421684752101 0.74570409783475 137.327 > 37 41 Ba 0.24883380023723 0.33578315247899 0.49570409783475 137.327 > 41 42 Ba 0.74883380023723 0.33578315247899 0.49570409783475 137.327 > 41 43 Ba 0.24883380023723 0.33578315247899 0.99570409783475 137.327 > 41 44 Ba 0.74883380023723 0.33578315247899 0.99570409783475 137.327 > 41 45 Ba 0.25116619976277 0.83578315247899 0.25429590216525 137.327 > 45 46 Ba 0.75116619976277 0.83578315247899 0.25429590216525 137.327 > 45 47 Ba 0.25116619976277 0.83578315247899 0.75429590216525 137.327 > 45 48 Ba 0.75116619976277 0.83578315247899 0.75429590216525 137.327 > 45 49 Sn 0.08256316409087 0.99394716968724 0.06998152847062 118.710 > 49 50 Sn 0.58256316409087 0.99394716968724 0.06998152847062 118.710 > 49 51 Sn 0.08256316409087 0.99394716968724 0.56998152847062 118.710 > 49 52 Sn 0.58256316409087 0.99394716968724 0.56998152847062 118.710 > 49 53 Sn 0.41743683590913 0.49394716968725 0.18001847152938 118.710 > 53 54 Sn 0.91743683590913 0.49394716968725 0.18001847152938 118.710 > 53 55 Sn 0.41743683590913 0.49394716968725 0.68001847152938 118.710 > 53 56 Sn 0.91743683590913 0.49394716968725 0.68001847152938 118.710 > 53 57 Sn 0.41743683590913 0.00605283031276 0.43001847152938 118.710 > 57 58 Sn 0.91743683590913 0.00605283031276 0.43001847152938 118.710 > 57 59 Sn 0.41743683590913 0.00605283031276 0.93001847152938 118.710 > 57 60 Sn 0.91743683590913 0.00605283031276 0.93001847152938 118.710 > 57 61 Sn 0.08256316409087 0.50605283031276 0.31998152847062 118.710 > 61 62 Sn 0.58256316409087 0.50605283031276 0.31998152847062 118.710 > 61 63 Sn 0.08256316409087 0.50605283031276 0.81998152847062 118.710 > 61 64 Sn 0.58256316409087 0.50605283031276 0.81998152847062 118.710 > 61 65 P 0.37821553646665 0.19810257266585 0.43669802334612 30.974 > 65 66 P 0.87821553646665 0.19810257266585 0.43669802334612 30.974 > 65 67 P 0.37821553646665 0.19810257266585 0.93669802334612 30.974 > 65 68 P 0.87821553646665 0.19810257266585 0.93669802334612 30.974 > 65 69 P 0.12178446353335 0.69810257266585 0.31330197665388 30.974 > 69 70 P 0.62178446353335 0.69810257266585 0.31330197665388 30.974 > 69 71 P 0.12178446353335 0.69810257266585 0.81330197665388 30.974 > 69 72 P 0.62178446353335 0.69810257266585 0.81330197665388 30.974 > 69 73 P 0.12178446353335 0.80189742733415 0.06330197665388 30.974 > 73 74 P 0.62178446353335 0.80189742733415 0.06330197665388 30.974 > 73 75 P 0.12178446353335 0.80189742733415 0.56330197665388 30.974 > 73 76 P 0.62178446353335 0.80189742733415 0.56330197665388 30.974 > 73 77 P 0.37821553646665 0.30189742733415 0.18669802334612 30.974 > 77 78 P 0.87821553646665 0.30189742733415 0.18669802334612 30.974 > 77 79 P 0.37821553646665 0.30189742733415 0.68669802334612 30.974 > 77 80 P 0.87821553646665 0.30189742733415 0.68669802334612 30.974 > 77 81 P 0.42224973438337 0.97022196880444 0.28937126734579 30.974 > 81 82 P 0.92224973438337 0.97022196880444 0.28937126734579 30.974 > 81 83 P 0.42224973438337 0.97022196880444 0.78937126734579 30.974 > 81 84 P 0.92224973438337 0.97022196880444 0.78937126734579 30.974 > 81 85 P 0.07775026561663 0.47022196880444 0.46062873265421 30.974 > 85 86 P 0.57775026561663 0.47022196880444 0.46062873265421 30.974 > 85 87 P 0.07775026561663 0.47022196880444 0.96062873265421 30.974 > 85 88 P 0.57775026561663 0.47022196880444 0.96062873265421 30.974 > 85 89 P 0.07775026561663 0.02977803119556 0.21062873265421 30.974 > 89 90 P 0.57775026561663 0.02977803119556 0.21062873265421 30.974 > 89 91 P 0.07775026561663 0.02977803119556 0.71062873265421 30.974 > 89 92 P 0.57775026561663 0.02977803119556 0.71062873265421 30.974 > 89 93 P 0.42224973438337 0.52977803119556 0.03937126734579 30.974 > 93 94 P 0.92224973438337 0.52977803119556 0.03937126734579 30.974 > 93 95 P 0.42224973438337 0.52977803119556 0.53937126734579 30.974 > 93 96 P 0.92224973438337 0.52977803119556 0.53937126734579 30.974 > 93 97 P 0.16668245058361 0.36598311160039 0.28387413708343 30.974 > 97 98 P 0.66668245058361 0.36598311160039 0.28387413708343 30.974 > 97 99 P 0.16668245058361 0.36598311160039 0.78387413708343 30.974 > 97 100 P 0.66668245058361 0.36598311160039 0.78387413708343 30.974 > 97 101 P 0.33331754941639 0.86598311160039 0.46612586291657 30.974 > 101 102 P 0.83331754941639 0.86598311160039 0.46612586291657 30.974 > 101 103 P 0.33331754941639 0.86598311160039 0.96612586291657 30.974 > 101 104 P 0.83331754941639 0.86598311160039 0.96612586291657 30.974 > 101 105 P 0.33331754941639 0.63401688839961 0.21612586291657 30.974 > 105 106 P 0.83331754941639 0.63401688839961 0.21612586291657 30.974 > 105 107 P 0.33331754941639 0.63401688839961 0.71612586291657 30.974 > 105 108 P 0.83331754941639 0.63401688839961 0.71612586291657 30.974 > 105 109 P 0.16668245058361 0.13401688839961 0.03387413708343 30.974 > 109 110 P 0.66668245058361 0.13401688839961 0.03387413708343 30.974 > 109 111 P 0.16668245058361 0.13401688839961 0.53387413708343 30.974 > 109 112 P 0.66668245058361 0.13401688839961 0.53387413708343 30.974 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.3345698 0.0000000 0.6323456 0.0000000 11.7762917 0.0000000 0.6323308 0.0000000 12.0345616 -------------------------- Born effective charges -------------------------- 1 Ba 3.2164218 -0.3643640 -0.1915983 -0.3963258 2.5941960 0.5101113 -0.3308947 0.1295081 3.2147606 2 Ba 3.2164218 0.3643640 -0.1915983 0.3963258 2.5941960 -0.5101113 -0.3308947 -0.1295081 3.2147606 3 Ba 3.2164218 -0.3643640 -0.1915983 -0.3963258 2.5941960 0.5101113 -0.3308947 0.1295081 3.2147606 4 Ba 3.2164218 0.3643640 -0.1915983 0.3963258 2.5941960 -0.5101113 -0.3308947 -0.1295081 3.2147606 5 Ba 2.0431763 0.1952270 -0.3001599 0.1801528 3.0847478 -0.5908205 -0.2641436 -0.1752185 2.7507651 6 Ba 2.0431763 -0.1952270 -0.3001599 -0.1801528 3.0847478 0.5908205 -0.2641436 0.1752185 2.7507651 7 Ba 2.0431763 0.1952270 -0.3001599 0.1801528 3.0847478 -0.5908205 -0.2641436 -0.1752185 2.7507651 8 Ba 2.0431763 -0.1952270 -0.3001599 -0.1801528 3.0847478 0.5908205 -0.2641436 0.1752185 2.7507651 9 Ba 3.3142874 0.4210146 0.7060671 0.0386585 2.8208587 -0.1286468 0.8908513 -0.3680158 2.7837611 10 Ba 3.3142874 -0.4210146 0.7060671 -0.0386585 2.8208587 0.1286468 0.8908513 0.3680158 2.7837611 11 Ba 3.3142874 0.4210146 0.7060671 0.0386585 2.8208587 -0.1286468 0.8908513 -0.3680158 2.7837611 12 Ba 3.3142874 -0.4210146 0.7060671 -0.0386585 2.8208587 0.1286468 0.8908513 0.3680158 2.7837611 13 Sn 1.4970946 -0.0209640 -0.4736333 0.1887887 2.5879493 -0.1076747 -0.0882116 0.0004079 1.9245768 14 Sn 1.4970946 0.0209640 -0.4736333 -0.1887887 2.5879493 0.1076747 -0.0882116 -0.0004079 1.9245768 15 Sn 1.4970946 -0.0209640 -0.4736333 0.1887887 2.5879493 -0.1076747 -0.0882116 0.0004079 1.9245768 16 Sn 1.4970946 0.0209640 -0.4736333 -0.1887887 2.5879493 0.1076747 -0.0882116 -0.0004079 1.9245768 17 P -3.1084588 1.4223585 -0.0590144 0.4084000 -4.3846645 0.2375784 -0.0343995 0.7697837 -3.3469562 18 P -3.1084588 -1.4223585 -0.0590144 -0.4084000 -4.3846645 -0.2375784 -0.0343995 -0.7697837 -3.3469562 19 P -3.1084588 1.4223585 -0.0590144 0.4084000 -4.3846645 0.2375784 -0.0343995 0.7697837 -3.3469562 20 P -3.1084588 -1.4223585 -0.0590144 -0.4084000 -4.3846645 -0.2375784 -0.0343995 -0.7697837 -3.3469562 21 P -2.6499172 0.2827792 0.1704332 0.2116226 -3.0424025 0.0305428 0.1078394 -0.4205301 -4.1949076 22 P -2.6499172 -0.2827792 0.1704332 -0.2116226 -3.0424025 -0.0305428 0.1078394 0.4205301 -4.1949076 23 P -2.6499172 0.2827792 0.1704332 0.2116226 -3.0424025 0.0305428 0.1078394 -0.4205301 -4.1949076 24 P -2.6499172 -0.2827792 0.1704332 -0.2116226 -3.0424025 -0.0305428 0.1078394 0.4205301 -4.1949076 25 P -4.3126041 1.3860228 0.1479056 1.0439170 -3.6606848 -0.1052585 -0.2810413 0.1244740 -3.1319998 26 P -4.3126041 -1.3860228 0.1479056 -1.0439170 -3.6606848 0.1052585 -0.2810413 -0.1244740 -3.1319998 27 P -4.3126041 1.3860228 0.1479056 1.0439170 -3.6606848 -0.1052585 -0.2810413 0.1244740 -3.1319998 28 P -4.3126041 -1.3860228 0.1479056 -1.0439170 -3.6606848 0.1052585 -0.2810413 -0.1244740 -3.1319998 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000009 (xxx) -0.00000009 (xxx) -0.00000009 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000015 (yx) 0.00000015 (yx) 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 10:04:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:04:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.736303470138200 0.000000000000000 0.000000000000000 b 0.000000000000000 12.661936489999997 0.000000000000000 c -3.477892646803160 0.000000000000000 7.837916377657409 Atomic positions (fractional): 1 Ba 0.73083858526956 0.06979022285446 0.19855011631991 137.327 2 Ba 0.26916141473044 0.56979022285446 0.30144988368009 137.327 3 Ba 0.26916141473044 0.93020977714554 0.80144988368009 137.327 4 Ba 0.73083858526956 0.43020977714554 0.69855011631991 137.327 5 Ba 0.05849357587811 0.20464077464792 0.67811949364886 137.327 6 Ba 0.94150642412189 0.70464077464792 0.82188050635114 137.327 7 Ba 0.94150642412189 0.79535922535208 0.32188050635114 137.327 8 Ba 0.05849357587811 0.29535922535208 0.17811949364886 137.327 9 Ba 0.50233239952554 0.66421684752101 0.00859180433049 137.327 10 Ba 0.49766760047446 0.16421684752101 0.49140819566951 137.327 11 Ba 0.49766760047446 0.33578315247899 0.99140819566951 137.327 12 Ba 0.50233239952554 0.83578315247899 0.50859180433049 137.327 13 Sn 0.16512632818173 0.99394716968724 0.13996305694125 118.710 14 Sn 0.83487367181827 0.49394716968725 0.36003694305875 118.710 15 Sn 0.83487367181827 0.00605283031276 0.86003694305875 118.710 16 Sn 0.16512632818173 0.50605283031276 0.63996305694125 118.710 17 P 0.75643107293330 0.19810257266585 0.87339604669225 30.974 18 P 0.24356892706670 0.69810257266585 0.62660395330775 30.974 19 P 0.24356892706670 0.80189742733415 0.12660395330775 30.974 20 P 0.75643107293330 0.30189742733415 0.37339604669225 30.974 21 P 0.84449946876674 0.97022196880444 0.57874253469158 30.974 22 P 0.15550053123326 0.47022196880444 0.92125746530842 30.974 23 P 0.15550053123326 0.02977803119556 0.42125746530842 30.974 24 P 0.84449946876674 0.52977803119556 0.07874253469158 30.974 25 P 0.33336490116722 0.36598311160039 0.56774827416687 30.974 26 P 0.66663509883278 0.86598311160039 0.93225172583313 30.974 27 P 0.66663509883278 0.63401688839961 0.43225172583313 30.974 28 P 0.33336490116722 0.13401688839961 0.06774827416687 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.472606940276400 0.000000000000000 0.000000000000000 b 0.000000000000000 12.661936489999997 0.000000000000000 c -6.955785293606320 0.000000000000000 15.675832755314818 Atomic positions (fractional): 1 Ba 0.36541929263478 0.06979022285446 0.09927505815995 137.327 > 1 2 Ba 0.86541929263478 0.06979022285446 0.09927505815995 137.327 > 1 3 Ba 0.36541929263478 0.06979022285446 0.59927505815995 137.327 > 1 4 Ba 0.86541929263478 0.06979022285446 0.59927505815995 137.327 > 1 5 Ba 0.13458070736522 0.56979022285446 0.15072494184005 137.327 > 5 6 Ba 0.63458070736522 0.56979022285446 0.15072494184005 137.327 > 5 7 Ba 0.13458070736522 0.56979022285446 0.65072494184005 137.327 > 5 8 Ba 0.63458070736522 0.56979022285446 0.65072494184005 137.327 > 5 9 Ba 0.13458070736522 0.93020977714554 0.40072494184005 137.327 > 9 10 Ba 0.63458070736522 0.93020977714554 0.40072494184005 137.327 > 9 11 Ba 0.13458070736522 0.93020977714554 0.90072494184005 137.327 > 9 12 Ba 0.63458070736522 0.93020977714554 0.90072494184005 137.327 > 9 13 Ba 0.36541929263478 0.43020977714554 0.34927505815995 137.327 > 13 14 Ba 0.86541929263478 0.43020977714554 0.34927505815995 137.327 > 13 15 Ba 0.36541929263478 0.43020977714554 0.84927505815995 137.327 > 13 16 Ba 0.86541929263478 0.43020977714554 0.84927505815995 137.327 > 13 17 Ba 0.02924678793906 0.20464077464792 0.33905974682443 137.327 > 17 18 Ba 0.52924678793906 0.20464077464792 0.33905974682443 137.327 > 17 19 Ba 0.02924678793906 0.20464077464792 0.83905974682443 137.327 > 17 20 Ba 0.52924678793906 0.20464077464792 0.83905974682443 137.327 > 17 21 Ba 0.47075321206094 0.70464077464792 0.41094025317557 137.327 > 21 22 Ba 0.97075321206094 0.70464077464792 0.41094025317557 137.327 > 21 23 Ba 0.47075321206094 0.70464077464792 0.91094025317557 137.327 > 21 24 Ba 0.97075321206094 0.70464077464792 0.91094025317557 137.327 > 21 25 Ba 0.47075321206094 0.79535922535208 0.16094025317557 137.327 > 25 26 Ba 0.97075321206094 0.79535922535208 0.16094025317557 137.327 > 25 27 Ba 0.47075321206094 0.79535922535208 0.66094025317557 137.327 > 25 28 Ba 0.97075321206094 0.79535922535208 0.66094025317557 137.327 > 25 29 Ba 0.02924678793906 0.29535922535208 0.08905974682443 137.327 > 29 30 Ba 0.52924678793906 0.29535922535208 0.08905974682443 137.327 > 29 31 Ba 0.02924678793906 0.29535922535208 0.58905974682443 137.327 > 29 32 Ba 0.52924678793906 0.29535922535208 0.58905974682443 137.327 > 29 33 Ba 0.25116619976277 0.66421684752101 0.00429590216525 137.327 > 33 34 Ba 0.75116619976277 0.66421684752101 0.00429590216525 137.327 > 33 35 Ba 0.25116619976277 0.66421684752101 0.50429590216525 137.327 > 33 36 Ba 0.75116619976277 0.66421684752101 0.50429590216525 137.327 > 33 37 Ba 0.24883380023723 0.16421684752101 0.24570409783475 137.327 > 37 38 Ba 0.74883380023723 0.16421684752101 0.24570409783475 137.327 > 37 39 Ba 0.24883380023723 0.16421684752101 0.74570409783475 137.327 > 37 40 Ba 0.74883380023723 0.16421684752101 0.74570409783475 137.327 > 37 41 Ba 0.24883380023723 0.33578315247899 0.49570409783475 137.327 > 41 42 Ba 0.74883380023723 0.33578315247899 0.49570409783475 137.327 > 41 43 Ba 0.24883380023723 0.33578315247899 0.99570409783475 137.327 > 41 44 Ba 0.74883380023723 0.33578315247899 0.99570409783475 137.327 > 41 45 Ba 0.25116619976277 0.83578315247899 0.25429590216525 137.327 > 45 46 Ba 0.75116619976277 0.83578315247899 0.25429590216525 137.327 > 45 47 Ba 0.25116619976277 0.83578315247899 0.75429590216525 137.327 > 45 48 Ba 0.75116619976277 0.83578315247899 0.75429590216525 137.327 > 45 49 Sn 0.08256316409087 0.99394716968724 0.06998152847062 118.710 > 49 50 Sn 0.58256316409087 0.99394716968724 0.06998152847062 118.710 > 49 51 Sn 0.08256316409087 0.99394716968724 0.56998152847062 118.710 > 49 52 Sn 0.58256316409087 0.99394716968724 0.56998152847062 118.710 > 49 53 Sn 0.41743683590913 0.49394716968725 0.18001847152938 118.710 > 53 54 Sn 0.91743683590913 0.49394716968725 0.18001847152938 118.710 > 53 55 Sn 0.41743683590913 0.49394716968725 0.68001847152938 118.710 > 53 56 Sn 0.91743683590913 0.49394716968725 0.68001847152938 118.710 > 53 57 Sn 0.41743683590913 0.00605283031276 0.43001847152938 118.710 > 57 58 Sn 0.91743683590913 0.00605283031276 0.43001847152938 118.710 > 57 59 Sn 0.41743683590913 0.00605283031276 0.93001847152938 118.710 > 57 60 Sn 0.91743683590913 0.00605283031276 0.93001847152938 118.710 > 57 61 Sn 0.08256316409087 0.50605283031276 0.31998152847062 118.710 > 61 62 Sn 0.58256316409087 0.50605283031276 0.31998152847062 118.710 > 61 63 Sn 0.08256316409087 0.50605283031276 0.81998152847062 118.710 > 61 64 Sn 0.58256316409087 0.50605283031276 0.81998152847062 118.710 > 61 65 P 0.37821553646665 0.19810257266585 0.43669802334612 30.974 > 65 66 P 0.87821553646665 0.19810257266585 0.43669802334612 30.974 > 65 67 P 0.37821553646665 0.19810257266585 0.93669802334612 30.974 > 65 68 P 0.87821553646665 0.19810257266585 0.93669802334612 30.974 > 65 69 P 0.12178446353335 0.69810257266585 0.31330197665388 30.974 > 69 70 P 0.62178446353335 0.69810257266585 0.31330197665388 30.974 > 69 71 P 0.12178446353335 0.69810257266585 0.81330197665388 30.974 > 69 72 P 0.62178446353335 0.69810257266585 0.81330197665388 30.974 > 69 73 P 0.12178446353335 0.80189742733415 0.06330197665388 30.974 > 73 74 P 0.62178446353335 0.80189742733415 0.06330197665388 30.974 > 73 75 P 0.12178446353335 0.80189742733415 0.56330197665388 30.974 > 73 76 P 0.62178446353335 0.80189742733415 0.56330197665388 30.974 > 73 77 P 0.37821553646665 0.30189742733415 0.18669802334612 30.974 > 77 78 P 0.87821553646665 0.30189742733415 0.18669802334612 30.974 > 77 79 P 0.37821553646665 0.30189742733415 0.68669802334612 30.974 > 77 80 P 0.87821553646665 0.30189742733415 0.68669802334612 30.974 > 77 81 P 0.42224973438337 0.97022196880444 0.28937126734579 30.974 > 81 82 P 0.92224973438337 0.97022196880444 0.28937126734579 30.974 > 81 83 P 0.42224973438337 0.97022196880444 0.78937126734579 30.974 > 81 84 P 0.92224973438337 0.97022196880444 0.78937126734579 30.974 > 81 85 P 0.07775026561663 0.47022196880444 0.46062873265421 30.974 > 85 86 P 0.57775026561663 0.47022196880444 0.46062873265421 30.974 > 85 87 P 0.07775026561663 0.47022196880444 0.96062873265421 30.974 > 85 88 P 0.57775026561663 0.47022196880444 0.96062873265421 30.974 > 85 89 P 0.07775026561663 0.02977803119556 0.21062873265421 30.974 > 89 90 P 0.57775026561663 0.02977803119556 0.21062873265421 30.974 > 89 91 P 0.07775026561663 0.02977803119556 0.71062873265421 30.974 > 89 92 P 0.57775026561663 0.02977803119556 0.71062873265421 30.974 > 89 93 P 0.42224973438337 0.52977803119556 0.03937126734579 30.974 > 93 94 P 0.92224973438337 0.52977803119556 0.03937126734579 30.974 > 93 95 P 0.42224973438337 0.52977803119556 0.53937126734579 30.974 > 93 96 P 0.92224973438337 0.52977803119556 0.53937126734579 30.974 > 93 97 P 0.16668245058361 0.36598311160039 0.28387413708343 30.974 > 97 98 P 0.66668245058361 0.36598311160039 0.28387413708343 30.974 > 97 99 P 0.16668245058361 0.36598311160039 0.78387413708343 30.974 > 97 100 P 0.66668245058361 0.36598311160039 0.78387413708343 30.974 > 97 101 P 0.33331754941639 0.86598311160039 0.46612586291657 30.974 > 101 102 P 0.83331754941639 0.86598311160039 0.46612586291657 30.974 > 101 103 P 0.33331754941639 0.86598311160039 0.96612586291657 30.974 > 101 104 P 0.83331754941639 0.86598311160039 0.96612586291657 30.974 > 101 105 P 0.33331754941639 0.63401688839961 0.21612586291657 30.974 > 105 106 P 0.83331754941639 0.63401688839961 0.21612586291657 30.974 > 105 107 P 0.33331754941639 0.63401688839961 0.71612586291657 30.974 > 105 108 P 0.83331754941639 0.63401688839961 0.71612586291657 30.974 > 105 109 P 0.16668245058361 0.13401688839961 0.03387413708343 30.974 > 109 110 P 0.66668245058361 0.13401688839961 0.03387413708343 30.974 > 109 111 P 0.16668245058361 0.13401688839961 0.53387413708343 30.974 > 109 112 P 0.66668245058361 0.13401688839961 0.53387413708343 30.974 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.3345698 0.0000000 0.6323456 0.0000000 11.7762917 0.0000000 0.6323308 0.0000000 12.0345616 -------------------------- Born effective charges -------------------------- 1 Ba 3.2164218 -0.3643640 -0.1915983 -0.3963258 2.5941960 0.5101113 -0.3308947 0.1295081 3.2147606 2 Ba 3.2164218 0.3643640 -0.1915983 0.3963258 2.5941960 -0.5101113 -0.3308947 -0.1295081 3.2147606 3 Ba 3.2164218 -0.3643640 -0.1915983 -0.3963258 2.5941960 0.5101113 -0.3308947 0.1295081 3.2147606 4 Ba 3.2164218 0.3643640 -0.1915983 0.3963258 2.5941960 -0.5101113 -0.3308947 -0.1295081 3.2147606 5 Ba 2.0431763 0.1952270 -0.3001599 0.1801528 3.0847478 -0.5908205 -0.2641436 -0.1752185 2.7507651 6 Ba 2.0431763 -0.1952270 -0.3001599 -0.1801528 3.0847478 0.5908205 -0.2641436 0.1752185 2.7507651 7 Ba 2.0431763 0.1952270 -0.3001599 0.1801528 3.0847478 -0.5908205 -0.2641436 -0.1752185 2.7507651 8 Ba 2.0431763 -0.1952270 -0.3001599 -0.1801528 3.0847478 0.5908205 -0.2641436 0.1752185 2.7507651 9 Ba 3.3142874 0.4210146 0.7060671 0.0386585 2.8208587 -0.1286468 0.8908513 -0.3680158 2.7837611 10 Ba 3.3142874 -0.4210146 0.7060671 -0.0386585 2.8208587 0.1286468 0.8908513 0.3680158 2.7837611 11 Ba 3.3142874 0.4210146 0.7060671 0.0386585 2.8208587 -0.1286468 0.8908513 -0.3680158 2.7837611 12 Ba 3.3142874 -0.4210146 0.7060671 -0.0386585 2.8208587 0.1286468 0.8908513 0.3680158 2.7837611 13 Sn 1.4970946 -0.0209640 -0.4736333 0.1887887 2.5879493 -0.1076747 -0.0882116 0.0004079 1.9245768 14 Sn 1.4970946 0.0209640 -0.4736333 -0.1887887 2.5879493 0.1076747 -0.0882116 -0.0004079 1.9245768 15 Sn 1.4970946 -0.0209640 -0.4736333 0.1887887 2.5879493 -0.1076747 -0.0882116 0.0004079 1.9245768 16 Sn 1.4970946 0.0209640 -0.4736333 -0.1887887 2.5879493 0.1076747 -0.0882116 -0.0004079 1.9245768 17 P -3.1084588 1.4223585 -0.0590144 0.4084000 -4.3846645 0.2375784 -0.0343995 0.7697837 -3.3469562 18 P -3.1084588 -1.4223585 -0.0590144 -0.4084000 -4.3846645 -0.2375784 -0.0343995 -0.7697837 -3.3469562 19 P -3.1084588 1.4223585 -0.0590144 0.4084000 -4.3846645 0.2375784 -0.0343995 0.7697837 -3.3469562 20 P -3.1084588 -1.4223585 -0.0590144 -0.4084000 -4.3846645 -0.2375784 -0.0343995 -0.7697837 -3.3469562 21 P -2.6499172 0.2827792 0.1704332 0.2116226 -3.0424025 0.0305428 0.1078394 -0.4205301 -4.1949076 22 P -2.6499172 -0.2827792 0.1704332 -0.2116226 -3.0424025 -0.0305428 0.1078394 0.4205301 -4.1949076 23 P -2.6499172 0.2827792 0.1704332 0.2116226 -3.0424025 0.0305428 0.1078394 -0.4205301 -4.1949076 24 P -2.6499172 -0.2827792 0.1704332 -0.2116226 -3.0424025 -0.0305428 0.1078394 0.4205301 -4.1949076 25 P -4.3126041 1.3860228 0.1479056 1.0439170 -3.6606848 -0.1052585 -0.2810413 0.1244740 -3.1319998 26 P -4.3126041 -1.3860228 0.1479056 -1.0439170 -3.6606848 0.1052585 -0.2810413 -0.1244740 -3.1319998 27 P -4.3126041 1.3860228 0.1479056 1.0439170 -3.6606848 -0.1052585 -0.2810413 0.1244740 -3.1319998 28 P -4.3126041 -1.3860228 0.1479056 -1.0439170 -3.6606848 0.1052585 -0.2810413 -0.1244740 -3.1319998 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000009 (xxx) -0.00000009 (xxx) -0.00000009 (xxx) 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 ... [ 6 4 6 ] 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: 0.44, Number of G-points: 301, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.131 ( 0.000 0.000 0.000) 0.000 1.194 ( 0.000 0.000 0.000) 0.000 1.226 ( 0.000 0.000 0.000) 0.000 1.248 ( 0.000 0.000 0.000) 0.000 1.306 ( 0.000 0.000 0.000) 0.000 1.438 ( 0.000 0.000 0.000) 0.000 1.466 ( 0.000 0.000 0.000) 0.000 1.485 ( 0.000 0.000 0.000) 0.000 1.546 ( 0.000 0.000 0.000) 0.000 1.700 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.773 ( 0.000 0.000 0.000) 0.000 1.807 ( 0.000 0.000 0.000) 0.000 1.815 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.914 ( 0.000 0.000 0.000) 0.000 2.021 ( 0.000 0.000 0.000) 0.000 2.036 ( 0.000 0.000 0.000) 0.000 2.049 ( 0.000 0.000 0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.200 ( 0.000 0.000 0.000) 0.000 2.307 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 2.582 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.505 ( 0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.444 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.700 ( 0.000 0.000 0.000) 0.000 4.716 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 5.039 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.166 ( 0.000 0.000 0.000) 0.000 5.253 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 6.433 ( 0.000 0.000 0.000) 0.000 6.588 ( 0.000 0.000 0.000) 0.000 6.623 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 8.150 ( 0.000 0.000 0.000) 0.000 8.486 ( 0.000 0.000 0.000) 0.000 8.541 ( 0.000 0.000 0.000) 0.000 8.760 ( 0.000 0.000 0.000) 0.000 8.889 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 9.147 ( 0.000 0.000 0.000) 0.000 9.224 ( 0.000 0.000 0.000) 0.000 9.240 ( 0.000 0.000 0.000) 0.000 9.328 ( 0.000 0.000 0.000) 0.000 9.643 ( 0.000 0.000 0.000) 0.000 9.654 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 17.878 0.000 6.485) 19.018 0.456 ( 22.888 0.000 0.559) 22.895 0.772 ( 27.015 0.000 25.040) 36.834 1.138 ( -0.272 0.000 1.902) 1.921 1.152 ( -5.363 0.000 -3.956) 6.664 1.171 ( -1.665 0.000 2.678) 3.153 1.342 ( 1.447 0.000 6.808) 6.960 1.351 ( 5.158 0.000 0.703) 5.206 1.433 ( -1.352 0.000 -1.196) 1.805 1.461 ( -0.626 0.000 -0.127) 0.638 1.510 ( 2.371 0.000 0.110) 2.373 1.603 ( 1.368 0.000 2.332) 2.703 1.644 ( -2.279 0.000 -2.027) 3.050 1.674 ( -2.276 0.000 1.141) 2.546 1.756 ( 1.256 0.000 -1.969) 2.336 1.786 ( -2.054 0.000 -4.204) 4.679 1.812 ( 1.000 0.000 0.604) 1.168 1.933 ( -4.434 0.000 0.779) 4.502 1.971 ( -1.370 0.000 -1.344) 1.919 1.980 ( 1.187 0.000 2.250) 2.544 2.001 ( 1.296 0.000 -1.040) 1.661 2.034 ( -0.831 0.000 1.206) 1.465 2.052 ( -0.895 0.000 -1.729) 1.947 2.196 ( -0.273 0.000 -1.566) 1.589 2.216 ( 0.723 0.000 -5.104) 5.154 2.279 ( 0.434 0.000 0.583) 0.727 2.356 ( 0.282 0.000 4.129) 4.138 2.364 ( -1.577 0.000 1.079) 1.910 2.434 ( -3.934 0.000 2.172) 4.494 2.470 ( -4.301 0.000 1.080) 4.434 2.480 ( -0.939 0.000 -6.951) 7.014 2.560 ( 3.593 0.000 -2.729) 4.511 2.634 ( 0.050 0.000 -0.095) 0.107 2.719 ( 0.313 0.000 2.971) 2.988 2.767 ( -2.046 0.000 -1.048) 2.298 2.796 ( 2.848 0.000 -3.404) 4.438 2.889 ( 1.159 0.000 -3.939) 4.106 2.914 ( -0.831 0.000 2.247) 2.396 3.068 ( 1.894 0.000 -0.693) 2.017 3.117 ( 5.300 0.000 -12.690) 13.752 3.160 ( 0.463 0.000 4.278) 4.303 3.236 ( -2.200 0.000 -9.155) 9.415 3.343 ( -5.097 0.000 1.775) 5.398 3.364 ( -2.491 0.000 1.896) 3.131 3.486 ( -0.433 0.000 -1.829) 1.879 3.549 ( -5.248 0.000 -1.194) 5.382 3.623 ( -1.591 0.000 3.424) 3.776 3.673 ( -0.029 0.000 4.043) 4.043 3.795 ( -2.350 0.000 -3.585) 4.287 3.955 ( 0.599 0.000 -2.623) 2.690 4.036 ( 0.195 0.000 -1.936) 1.946 4.182 ( -3.526 0.000 0.103) 3.528 4.242 ( -0.016 0.000 1.974) 1.974 4.327 ( 2.103 0.000 1.322) 2.484 4.409 ( 1.474 0.000 -0.363) 1.518 4.474 ( 1.471 0.000 1.221) 1.912 4.635 ( -0.400 0.000 -1.039) 1.114 4.651 ( 10.719 0.000 -17.562) 20.575 4.697 ( -0.901 0.000 0.606) 1.086 4.746 ( 1.935 0.000 2.352) 3.046 4.775 ( 0.613 0.000 0.265) 0.668 5.090 ( -1.273 0.000 1.366) 1.868 5.149 ( -1.005 0.000 0.526) 1.134 5.239 ( -1.563 0.000 -0.106) 1.567 5.332 ( -3.632 0.000 5.602) 6.677 5.374 ( 2.648 0.000 -7.952) 8.382 5.559 ( 0.000 0.000 -1.772) 1.772 5.611 ( -7.770 0.000 15.024) 16.914 6.566 ( -2.143 0.000 -0.299) 2.164 6.635 ( 1.263 0.000 -0.254) 1.288 6.741 ( -0.317 0.000 -0.212) 0.381 6.824 ( -11.308 0.000 24.375) 26.870 8.495 ( 0.323 0.000 0.612) 0.692 8.540 ( 0.573 0.000 -0.297) 0.646 8.586 ( 6.299 0.000 -7.340) 9.672 8.735 ( -1.810 0.000 -0.301) 1.835 8.886 ( 0.307 0.000 -1.635) 1.664 8.948 ( -2.427 0.000 -0.023) 2.427 9.169 ( 4.719 0.000 -9.704) 10.791 9.211 ( 0.514 0.000 -3.778) 3.813 9.236 ( -1.941 0.000 3.364) 3.883 9.374 ( -3.743 0.000 0.358) 3.760 9.643 ( -0.266 0.000 0.557) 0.617 9.663 ( 0.443 0.000 0.946) 1.045 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 13.348 0.000 4.702) 14.152 0.866 ( 19.429 0.000 -0.400) 19.433 1.013 ( -4.750 0.000 -2.732) 5.480 1.160 ( 1.905 0.000 1.465) 2.403 1.170 ( 0.010 0.000 4.540) 4.540 1.313 ( 1.996 0.000 3.927) 4.405 1.403 ( -0.656 0.000 2.791) 2.868 1.404 ( -2.658 0.000 1.867) 3.248 1.463 ( 6.746 0.000 3.079) 7.416 1.484 ( 1.475 0.000 4.654) 4.882 1.565 ( -1.856 0.000 -1.478) 2.373 1.616 ( 0.839 0.000 0.364) 0.915 1.628 ( -2.475 0.000 1.562) 2.927 1.660 ( 11.507 0.000 11.006) 15.923 1.722 ( -2.108 0.000 -1.130) 2.392 1.785 ( -2.026 0.000 0.814) 2.183 1.816 ( 1.781 0.000 0.730) 1.925 1.898 ( 0.094 0.000 1.299) 1.302 1.936 ( 1.909 0.000 -6.676) 6.944 1.953 ( 0.083 0.000 0.263) 0.276 2.020 ( 1.694 0.000 -0.279) 1.717 2.034 ( 0.043 0.000 -0.762) 0.763 2.083 ( -1.258 0.000 3.029) 3.280 2.157 ( -1.777 0.000 -3.135) 3.604 2.180 ( -0.012 0.000 0.389) 0.389 2.229 ( -8.752 0.000 -5.076) 10.117 2.291 ( -4.280 0.000 2.483) 4.949 2.350 ( 2.640 0.000 -0.038) 2.641 2.405 ( -1.042 0.000 -1.724) 2.014 2.428 ( -0.614 0.000 3.808) 3.858 2.497 ( 3.693 0.000 -3.138) 4.846 2.600 ( -2.615 0.000 -2.590) 3.681 2.605 ( 2.502 0.000 -0.322) 2.523 2.724 ( -1.494 0.000 -1.254) 1.950 2.732 ( 0.518 0.000 0.927) 1.062 2.782 ( -2.118 0.000 -2.952) 3.633 2.886 ( -6.993 0.000 -4.264) 8.191 2.890 ( 1.812 0.000 -5.017) 5.335 2.994 ( -4.843 0.000 -3.244) 5.829 3.105 ( -1.617 0.000 1.834) 2.445 3.136 ( 4.242 0.000 -5.948) 7.306 3.185 ( 2.654 0.000 2.760) 3.829 3.339 ( -1.162 0.000 2.030) 2.339 3.367 ( 0.102 0.000 1.964) 1.967 3.441 ( -4.773 0.000 -0.791) 4.838 3.471 ( 1.016 0.000 -2.246) 2.465 3.617 ( -1.876 0.000 2.753) 3.331 3.668 ( -3.717 0.000 2.950) 4.745 3.712 ( -1.545 0.000 -4.777) 5.020 3.939 ( 0.247 0.000 -2.476) 2.489 4.017 ( -0.237 0.000 -1.730) 1.746 4.140 ( -1.219 0.000 0.421) 1.290 4.251 ( -0.046 0.000 0.320) 0.323 4.368 ( 0.951 0.000 1.559) 1.826 4.445 ( 2.300 0.000 -0.230) 2.311 4.491 ( -0.234 0.000 0.360) 0.429 4.605 ( -1.326 0.000 -2.037) 2.431 4.679 ( -1.438 0.000 1.480) 2.064 4.719 ( 6.379 0.000 -6.148) 8.859 4.792 ( 0.912 0.000 -0.015) 0.912 4.810 ( 1.996 0.000 2.186) 2.961 5.064 ( -2.548 0.000 1.453) 2.933 5.136 ( -1.154 0.000 -0.772) 1.389 5.222 ( -0.174 0.000 2.649) 2.655 5.312 ( -1.054 0.000 0.111) 1.059 5.371 ( 2.275 0.000 -3.285) 3.996 5.535 ( -0.472 0.000 -2.551) 2.595 5.583 ( -4.181 0.000 5.735) 7.097 6.511 ( -2.551 0.000 -0.737) 2.656 6.661 ( 1.543 0.000 -0.542) 1.636 6.737 ( 0.000 0.000 0.038) 0.038 6.810 ( -4.618 0.000 8.624) 9.782 8.494 ( -0.405 0.000 -0.729) 0.834 8.554 ( 0.322 0.000 0.979) 1.031 8.658 ( 5.052 0.000 -2.112) 5.475 8.717 ( -0.616 0.000 1.869) 1.968 8.873 ( 0.099 0.000 -2.224) 2.226 8.886 ( -3.747 0.000 -0.127) 3.749 9.181 ( 2.844 0.000 -4.409) 5.247 9.188 ( 0.093 0.000 -2.566) 2.567 9.225 ( -1.500 0.000 2.145) 2.617 9.295 ( -3.948 0.000 -0.310) 3.960 9.641 ( -0.308 0.000 0.422) 0.522 9.681 ( 0.421 0.000 0.853) 0.951 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.000 0.000 0.000) 0.000 0.969 ( 0.000 0.000 0.000) 0.000 1.116 ( -0.000 0.000 0.000) 0.000 1.180 ( 0.000 0.000 -0.000) 0.000 1.199 ( 0.000 0.000 0.000) 0.000 1.291 ( 0.000 0.000 -0.000) 0.000 1.353 ( 0.000 0.000 0.000) 0.000 1.386 ( 0.000 0.000 -0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.470 ( 0.000 0.000 0.000) 0.000 1.598 ( 0.000 0.000 0.000) 0.000 1.616 ( 0.000 0.000 -0.000) 0.000 1.635 ( 0.000 0.000 -0.000) 0.000 1.732 ( 0.000 0.000 0.000) 0.000 1.777 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 -0.000) 0.000 2.045 ( 0.000 0.000 -0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.097 ( 0.000 0.000 0.000) 0.000 2.155 ( -0.000 0.000 -0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.236 ( 0.000 0.000 -0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 -0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 -0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.675 ( -0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.773 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 -0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 3.082 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 -0.000) 0.000 3.367 ( 0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.607 ( 0.000 0.000 0.000) 0.000 3.623 ( 0.000 0.000 0.000) 0.000 3.678 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 -0.000) 0.000 4.488 ( 0.000 0.000 0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 4.760 ( 0.000 0.000 -0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 -0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.301 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.514 ( 0.000 0.000 0.000) 0.000 5.563 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 8.483 ( 0.000 0.000 0.000) 0.000 8.562 ( 0.000 0.000 0.000) 0.000 8.713 ( 0.000 0.000 0.000) 0.000 8.724 ( 0.000 0.000 0.000) 0.000 8.833 ( 0.000 0.000 0.000) 0.000 8.861 ( 0.000 0.000 0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.198 ( 0.000 0.000 -0.000) 0.000 9.219 ( 0.000 0.000 0.000) 0.000 9.244 ( 0.000 0.000 0.000) 0.000 9.640 ( 0.000 0.000 0.000) 0.000 9.689 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 0.000 18.545 0.000) 18.545 0.393 ( 0.000 19.424 0.000) 19.424 0.680 ( 0.000 32.587 0.000) 32.587 1.005 ( 0.000 -11.610 0.000) 11.610 1.053 ( 0.000 -11.889 0.000) 11.889 1.243 ( 0.000 -0.390 0.000) 0.390 1.282 ( 0.000 -0.260 0.000) 0.260 1.297 ( 0.000 -0.919 0.000) 0.919 1.402 ( 0.000 -3.197 0.000) 3.197 1.433 ( 0.000 -0.539 0.000) 0.539 1.493 ( 0.000 -0.408 0.000) 0.408 1.638 ( 0.000 6.460 0.000) 6.460 1.676 ( 0.000 -2.810 0.000) 2.810 1.707 ( 0.000 -1.475 0.000) 1.475 1.727 ( 0.000 -4.274 0.000) 4.274 1.807 ( 0.000 -2.193 0.000) 2.193 1.854 ( 0.000 3.798 0.000) 3.798 1.923 ( 0.000 -0.133 0.000) 0.133 1.938 ( 0.000 5.257 0.000) 5.257 1.971 ( 0.000 -1.602 0.000) 1.602 2.052 ( 0.000 1.301 0.000) 1.301 2.071 ( 0.000 1.624 0.000) 1.624 2.164 ( 0.000 -3.861 0.000) 3.861 2.187 ( 0.000 2.258 0.000) 2.258 2.195 ( 0.000 -2.634 0.000) 2.634 2.239 ( 0.000 -7.123 0.000) 7.123 2.339 ( 0.000 -5.867 0.000) 5.867 2.375 ( 0.000 -0.092 0.000) 0.092 2.419 ( 0.000 2.340 0.000) 2.340 2.459 ( 0.000 0.211 0.000) 0.211 2.505 ( 0.000 0.693 0.000) 0.693 2.562 ( 0.000 -2.780 0.000) 2.780 2.603 ( 0.000 0.914 0.000) 0.914 2.726 ( 0.000 0.810 0.000) 0.810 2.757 ( 0.000 -4.123 0.000) 4.123 2.817 ( 0.000 -2.743 0.000) 2.743 2.940 ( 0.000 0.412 0.000) 0.412 3.004 ( 0.000 -3.350 0.000) 3.350 3.127 ( 0.000 10.565 0.000) 10.565 3.137 ( 0.000 2.638 0.000) 2.638 3.157 ( 0.000 4.029 0.000) 4.029 3.317 ( 0.000 1.479 0.000) 1.479 3.355 ( 0.000 -1.127 0.000) 1.127 3.379 ( 0.000 -0.710 0.000) 0.710 3.538 ( 0.000 3.402 0.000) 3.402 3.610 ( 0.000 -0.450 0.000) 0.450 3.613 ( 0.000 0.223 0.000) 0.223 3.735 ( 0.000 -3.415 0.000) 3.415 3.859 ( 0.000 2.038 0.000) 2.038 3.937 ( 0.000 -1.855 0.000) 1.855 4.040 ( 0.000 1.085 0.000) 1.085 4.146 ( 0.000 0.969 0.000) 0.969 4.231 ( 0.000 -2.198 0.000) 2.198 4.297 ( 0.000 -1.297 0.000) 1.297 4.397 ( 0.000 0.253 0.000) 0.253 4.433 ( 0.000 -0.990 0.000) 0.990 4.513 ( 0.000 3.958 0.000) 3.958 4.655 ( 0.000 -2.311 0.000) 2.311 4.718 ( 0.000 0.211 0.000) 0.211 4.755 ( 0.000 -1.146 0.000) 1.146 4.978 ( 0.000 1.214 0.000) 1.214 5.042 ( 0.000 -0.223 0.000) 0.223 5.127 ( 0.000 2.614 0.000) 2.614 5.158 ( 0.000 -0.278 0.000) 0.278 5.322 ( 0.000 -1.681 0.000) 1.681 5.384 ( 0.000 -3.388 0.000) 3.388 5.520 ( 0.000 2.068 0.000) 2.068 5.568 ( 0.000 -0.107 0.000) 0.107 6.444 ( 0.000 1.161 0.000) 1.161 6.546 ( 0.000 -3.777 0.000) 3.777 6.689 ( 0.000 2.798 0.000) 2.798 6.745 ( 0.000 -0.276 0.000) 0.276 8.190 ( 0.000 3.932 0.000) 3.932 8.439 ( 0.000 -7.311 0.000) 7.311 8.764 ( 0.000 4.832 0.000) 4.832 8.878 ( 0.000 -1.200 0.000) 1.200 8.989 ( 0.000 1.806 0.000) 1.806 9.118 ( 0.000 -3.207 0.000) 3.207 9.201 ( 0.000 -0.448 0.000) 0.448 9.222 ( 0.000 -0.547 0.000) 0.547 9.386 ( 0.000 4.205 0.000) 4.205 9.528 ( 0.000 -2.302 0.000) 2.302 9.647 ( 0.000 0.327 0.000) 0.327 9.654 ( 0.000 -0.023 0.000) 0.023 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 10.325 10.866 3.050) 15.297 0.632 ( 15.164 11.291 8.351) 20.668 0.998 ( 14.623 13.029 10.444) 22.196 1.035 ( 0.728 -6.881 2.755) 7.448 1.071 ( 5.113 -5.681 4.686) 8.965 1.207 ( -2.720 2.157 -1.133) 3.652 1.302 ( 0.851 -2.807 4.777) 5.606 1.331 ( 3.285 -1.083 1.026) 3.607 1.412 ( -1.375 -1.398 0.452) 2.012 1.447 ( 3.183 -1.651 -0.034) 3.586 1.488 ( 0.947 -0.403 -0.242) 1.057 1.620 ( -3.565 0.833 -1.807) 4.082 1.644 ( 1.239 0.386 0.403) 1.359 1.683 ( -1.760 0.874 0.729) 2.096 1.759 ( 0.911 -4.724 2.096) 5.248 1.793 ( -0.651 2.120 -2.054) 3.023 1.879 ( 0.964 4.333 -4.953) 6.651 1.900 ( -1.972 -2.821 -1.035) 3.594 1.921 ( -3.418 1.151 0.732) 3.680 1.977 ( 1.831 0.445 2.185) 2.886 2.018 ( -1.388 0.123 2.097) 2.518 2.067 ( -0.580 2.607 -0.083) 2.672 2.103 ( -3.202 2.897 -2.138) 4.818 2.184 ( -0.743 -1.460 -0.520) 1.718 2.205 ( 1.982 -3.482 -1.559) 4.300 2.285 ( 0.846 -0.442 -0.214) 0.978 2.323 ( -2.970 -3.621 -2.444) 5.283 2.328 ( -1.702 -6.680 2.316) 7.272 2.440 ( 1.111 2.947 1.453) 3.469 2.458 ( 1.339 -0.087 -0.758) 1.542 2.492 ( -0.423 0.142 -4.674) 4.695 2.528 ( -2.700 -0.078 1.879) 3.290 2.595 ( -0.783 -3.116 -0.444) 3.243 2.709 ( -0.121 1.542 -3.293) 3.638 2.729 ( -1.705 -1.833 -0.816) 2.634 2.770 ( -0.209 -0.784 0.751) 1.105 2.934 ( -3.295 3.997 -3.230) 6.105 2.991 ( 1.010 -2.442 -5.684) 6.268 3.015 ( 1.666 -3.222 -0.913) 3.741 3.095 ( -0.681 4.926 -0.648) 5.015 3.224 ( -2.123 3.152 -1.329) 4.026 3.294 ( -4.427 -0.833 -0.921) 4.597 3.328 ( -1.359 0.688 -0.561) 1.623 3.369 ( -0.129 1.282 1.914) 2.307 3.517 ( -3.074 2.317 -2.122) 4.396 3.571 ( -1.570 0.841 -1.780) 2.518 3.620 ( -2.013 1.596 3.630) 4.447 3.711 ( -0.642 1.392 3.603) 3.916 3.826 ( -1.420 2.742 -3.495) 4.664 3.932 ( 0.615 -1.998 -2.628) 3.359 4.012 ( -0.230 0.337 -1.768) 1.814 4.170 ( 0.004 -4.541 -0.086) 4.542 4.273 ( -1.492 4.210 -0.359) 4.481 4.335 ( 5.021 -0.237 0.685) 5.073 4.415 ( 0.976 0.621 0.019) 1.157 4.468 ( 1.897 -0.653 1.010) 2.246 4.547 ( 3.611 -1.344 -2.361) 4.519 4.646 ( -1.125 -2.865 0.887) 3.203 4.733 ( 1.371 0.178 0.037) 1.383 4.761 ( 1.512 -0.665 -1.566) 2.276 4.842 ( 0.194 7.683 -7.240) 10.558 5.086 ( -2.153 -2.911 -0.656) 3.680 5.141 ( 0.053 0.575 0.912) 1.080 5.198 ( 1.275 -1.204 3.530) 3.941 5.309 ( -3.451 -1.615 4.544) 5.930 5.375 ( 1.226 -1.582 -4.686) 5.096 5.560 ( -1.076 -0.054 2.672) 2.881 5.582 ( -1.188 -0.948 6.847) 7.014 6.523 ( 0.202 -2.905 1.087) 3.109 6.573 ( 0.752 -6.559 5.503) 8.595 6.704 ( 0.423 0.979 1.841) 2.127 6.763 ( 0.050 -1.240 3.476) 3.691 8.297 ( 7.409 -1.675 1.710) 7.786 8.456 ( 1.057 -6.232 1.127) 6.421 8.728 ( -1.707 4.761 -3.352) 6.067 8.853 ( -1.818 -2.084 -2.748) 3.899 8.966 ( -3.422 2.980 2.238) 5.059 9.035 ( -7.558 4.614 0.621) 8.876 9.187 ( 3.445 1.299 -9.526) 10.212 9.213 ( 1.907 0.186 -6.266) 6.552 9.271 ( -6.415 5.925 2.746) 9.154 9.397 ( -5.349 1.145 -0.460) 5.489 9.646 ( -0.081 0.322 0.320) 0.461 9.662 ( 0.271 -0.211 0.823) 0.892 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 14.047 0.802 2.332) 14.261 0.955 ( 5.924 1.377 2.063) 6.423 0.986 ( 5.135 0.642 0.328) 5.186 1.141 ( 1.113 -2.100 3.013) 3.838 1.182 ( 0.107 2.240 0.751) 2.364 1.318 ( -1.403 0.067 4.560) 4.771 1.341 ( 1.648 -1.118 1.408) 2.439 1.409 ( 1.340 0.268 2.730) 3.053 1.461 ( 4.204 -5.187 4.245) 7.911 1.520 ( 0.148 0.180 1.373) 1.393 1.541 ( -2.169 1.438 -0.712) 2.698 1.626 ( 8.815 4.342 5.603) 11.311 1.650 ( -0.072 -0.456 -0.487) 0.671 1.677 ( 1.267 2.034 2.619) 3.550 1.735 ( -3.087 -2.511 -1.868) 4.396 1.791 ( 2.539 0.411 1.611) 3.035 1.800 ( -2.855 1.635 -0.276) 3.302 1.870 ( 0.893 -3.391 -4.995) 6.103 1.930 ( 0.865 2.440 4.836) 5.485 1.996 ( 1.938 0.050 2.602) 3.245 2.038 ( -1.220 2.115 -1.485) 2.858 2.053 ( 1.115 0.549 3.141) 3.378 2.069 ( 0.044 0.463 -1.329) 1.408 2.144 ( -4.028 -1.902 -1.818) 4.812 2.200 ( -2.061 0.808 -1.430) 2.635 2.207 ( -0.852 2.633 -2.321) 3.612 2.270 ( -1.795 -2.627 0.919) 3.312 2.359 ( -1.872 2.163 1.069) 3.053 2.396 ( -1.694 -0.864 -1.988) 2.751 2.455 ( 0.592 -2.683 -2.472) 3.696 2.503 ( -0.629 0.370 0.220) 0.762 2.567 ( 6.823 -5.526 2.797) 9.215 2.585 ( -0.287 -2.634 -0.037) 2.650 2.671 ( -0.962 2.196 -2.353) 3.360 2.714 ( -0.463 -1.745 -0.779) 1.966 2.765 ( -1.232 -0.755 -1.287) 1.935 2.820 ( -5.075 -1.481 -6.349) 8.262 2.908 ( -3.853 -2.367 -6.110) 7.601 3.059 ( 3.666 -0.531 -2.889) 4.697 3.077 ( -4.314 4.431 -0.106) 6.185 3.158 ( 4.781 -1.331 -1.882) 5.308 3.203 ( -3.726 1.885 -1.354) 4.389 3.290 ( -3.143 -1.091 1.079) 3.498 3.366 ( -4.300 -1.807 4.049) 6.177 3.468 ( -1.232 2.012 0.541) 2.420 3.517 ( -1.680 1.889 -2.171) 3.333 3.632 ( 0.755 3.958 2.253) 4.616 3.718 ( -2.305 2.877 3.767) 5.271 3.765 ( -0.821 4.397 -4.841) 6.591 3.918 ( 0.305 -2.116 -2.470) 3.267 3.991 ( -0.483 -0.108 -1.166) 1.266 4.162 ( -0.517 -6.603 -0.079) 6.623 4.247 ( -0.771 7.366 -0.502) 7.424 4.406 ( 2.170 0.332 0.044) 2.196 4.438 ( 1.137 0.760 0.798) 1.583 4.489 ( 0.014 0.025 0.079) 0.084 4.569 ( 0.674 -2.017 -2.085) 2.978 4.634 ( -1.017 -3.794 1.065) 4.070 4.753 ( 2.022 0.919 -2.300) 3.197 4.798 ( 1.836 -1.023 1.195) 2.417 4.831 ( 1.381 4.659 -1.627) 5.125 5.030 ( -2.662 -3.417 -0.470) 4.357 5.148 ( -0.164 1.476 0.504) 1.568 5.240 ( 1.007 0.732 2.171) 2.503 5.284 ( -1.095 -1.430 0.310) 1.828 5.366 ( 0.841 -1.142 -1.705) 2.218 5.553 ( -0.652 1.654 0.461) 1.837 5.592 ( -1.951 0.550 3.307) 3.879 6.506 ( -1.341 -0.327 -0.515) 1.473 6.604 ( -0.303 -5.197 1.979) 5.569 6.729 ( 1.317 -0.027 -0.021) 1.317 6.780 ( -1.815 -2.017 4.139) 4.949 8.430 ( 4.184 -2.819 1.765) 5.344 8.488 ( 1.101 -4.038 1.318) 4.388 8.672 ( -0.717 2.129 -2.585) 3.424 8.764 ( -3.915 -2.071 -2.738) 5.207 8.918 ( -1.583 5.867 0.833) 6.134 8.964 ( -1.355 4.499 -0.852) 4.776 9.184 ( 2.568 0.510 -5.198) 5.820 9.195 ( 1.256 0.704 -4.292) 4.527 9.225 ( -2.860 0.542 3.749) 4.747 9.299 ( -4.739 -0.144 0.711) 4.794 9.646 ( -0.173 0.515 0.382) 0.664 9.675 ( 0.305 -0.576 0.716) 0.968 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 0.000 -0.861 -0.000) 0.861 0.945 ( 0.000 -2.073 0.000) 2.073 1.095 ( 0.000 -1.031 0.000) 1.031 1.163 ( 0.000 -1.704 0.000) 1.704 1.190 ( 0.000 3.606 0.000) 3.606 1.330 ( 0.000 2.975 0.000) 2.975 1.404 ( 0.000 1.470 0.000) 1.470 1.410 ( -0.000 2.191 -0.000) 2.191 1.464 ( 0.000 -1.418 0.000) 1.418 1.481 ( 0.000 0.937 0.000) 0.937 1.583 ( 0.000 -1.445 -0.000) 1.445 1.625 ( 0.000 1.911 0.000) 1.911 1.661 ( 0.000 -1.829 -0.000) 1.829 1.690 ( -0.000 1.731 -0.000) 1.731 1.705 ( 0.000 -4.224 0.000) 4.224 1.773 ( 0.000 -2.640 0.000) 2.640 1.862 ( 0.000 -2.430 0.000) 2.430 1.925 ( 0.000 -4.567 0.000) 4.567 1.973 ( -0.000 1.846 0.000) 1.846 2.001 ( 0.000 0.229 0.000) 0.229 2.022 ( 0.000 -1.199 0.000) 1.199 2.030 ( 0.000 -0.875 0.000) 0.875 2.125 ( 0.000 6.026 0.000) 6.026 2.163 ( 0.000 4.385 0.000) 4.385 2.198 ( -0.000 5.931 -0.000) 5.931 2.213 ( 0.000 1.548 0.000) 1.548 2.275 ( -0.000 -0.241 -0.000) 0.241 2.280 ( 0.000 -2.909 0.000) 2.909 2.347 ( 0.000 -1.060 0.000) 1.060 2.448 ( 0.000 -6.071 0.000) 6.071 2.507 ( 0.000 -2.635 -0.000) 2.635 2.523 ( 0.000 5.992 0.000) 5.992 2.638 ( 0.000 1.750 0.000) 1.750 2.673 ( 0.000 0.139 0.000) 0.139 2.725 ( 0.000 -2.802 0.000) 2.802 2.745 ( 0.000 0.616 0.000) 0.616 2.748 ( 0.000 -2.075 0.000) 2.075 2.784 ( -0.000 -7.773 -0.000) 7.773 3.034 ( 0.000 3.853 0.000) 3.853 3.094 ( 0.000 2.181 0.000) 2.181 3.162 ( 0.000 -0.301 0.000) 0.301 3.234 ( 0.000 -1.880 0.000) 1.880 3.269 ( -0.000 -3.859 0.000) 3.859 3.290 ( 0.000 -3.432 -0.000) 3.432 3.473 ( 0.000 3.405 0.000) 3.405 3.477 ( -0.000 0.980 -0.000) 0.980 3.671 ( -0.000 4.196 0.000) 4.196 3.694 ( 0.000 5.244 0.000) 5.244 3.733 ( 0.000 4.912 -0.000) 4.912 3.909 ( 0.000 -2.283 0.000) 2.283 3.981 ( 0.000 -0.138 0.000) 0.138 4.156 ( 0.000 -7.094 0.000) 7.094 4.237 ( 0.000 7.482 0.000) 7.482 4.425 ( 0.000 -0.884 -0.000) 0.884 4.458 ( 0.000 1.625 0.000) 1.625 4.486 ( 0.000 0.056 -0.000) 0.056 4.561 ( 0.000 -1.187 0.000) 1.187 4.628 ( 0.000 -4.045 0.000) 4.045 4.766 ( 0.000 0.370 0.000) 0.370 4.824 ( 0.000 -1.544 0.000) 1.544 4.841 ( 0.000 3.795 0.000) 3.795 4.998 ( 0.000 -3.217 0.000) 3.217 5.146 ( 0.000 2.398 -0.000) 2.398 5.268 ( -0.000 -2.916 -0.000) 2.916 5.270 ( 0.000 2.378 0.000) 2.378 5.369 ( 0.000 -1.603 0.000) 1.603 5.549 ( 0.000 2.822 0.000) 2.822 5.582 ( 0.000 1.397 0.000) 1.397 6.487 ( 0.000 0.792 0.000) 0.792 6.609 ( 0.000 -5.039 0.000) 5.039 6.746 ( 0.000 0.059 0.000) 0.059 6.775 ( 0.000 -2.035 0.000) 2.035 8.470 ( 0.000 -0.834 0.000) 0.834 8.515 ( 0.000 -3.499 0.000) 3.499 8.672 ( 0.000 -1.707 0.000) 1.707 8.693 ( -0.000 -1.739 -0.000) 1.739 8.914 ( 0.000 4.333 0.000) 4.333 8.943 ( 0.000 5.641 0.000) 5.641 9.183 ( 0.000 0.643 -0.000) 0.643 9.204 ( 0.000 0.655 -0.000) 0.655 9.207 ( -0.000 -0.781 0.000) 0.781 9.250 ( 0.000 -0.068 -0.000) 0.068 9.646 ( 0.000 0.635 0.000) 0.635 9.681 ( 0.000 -0.737 0.000) 0.737 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 0.000 -16.343 0.000) 16.343 0.723 ( 0.000 16.343 0.000) 16.343 0.757 ( 0.000 -17.204 0.000) 17.204 0.757 ( 0.000 17.204 0.000) 17.204 1.179 ( 0.000 -12.072 0.000) 12.072 1.179 ( 0.000 12.072 0.000) 12.072 1.280 ( 0.000 -0.350 0.000) 0.350 1.280 ( 0.000 0.350 0.000) 0.350 1.401 ( 0.000 -3.481 0.000) 3.481 1.401 ( 0.000 3.481 0.000) 3.481 1.520 ( 0.000 -7.157 0.000) 7.157 1.520 ( 0.000 7.157 0.000) 7.157 1.677 ( 0.000 -0.001 0.000) 0.001 1.677 ( 0.000 0.001 0.000) 0.001 1.744 ( 0.000 -3.023 0.000) 3.023 1.744 ( 0.000 3.023 0.000) 3.023 1.917 ( 0.000 -1.757 0.000) 1.757 1.917 ( 0.000 1.757 0.000) 1.757 2.000 ( 0.000 -7.250 0.000) 7.250 2.000 ( 0.000 7.250 0.000) 7.250 2.074 ( 0.000 -1.481 0.000) 1.481 2.074 ( 0.000 1.481 0.000) 1.481 2.090 ( 0.000 -6.088 0.000) 6.088 2.090 ( 0.000 6.088 0.000) 6.088 2.188 ( 0.000 -0.717 0.000) 0.717 2.188 ( 0.000 0.717 0.000) 0.717 2.333 ( 0.000 -1.807 0.000) 1.807 2.333 ( 0.000 1.807 0.000) 1.807 2.493 ( 0.000 -2.578 0.000) 2.578 2.493 ( 0.000 2.578 0.000) 2.578 2.509 ( 0.000 -3.351 0.000) 3.351 2.509 ( 0.000 3.351 0.000) 3.351 2.652 ( 0.000 -4.686 0.000) 4.686 2.652 ( 0.000 4.686 0.000) 4.686 2.762 ( 0.000 -2.381 0.000) 2.381 2.762 ( 0.000 2.381 0.000) 2.381 2.959 ( 0.000 -1.330 0.000) 1.330 2.959 ( 0.000 1.330 0.000) 1.330 3.202 ( 0.000 -1.578 0.000) 1.578 3.202 ( 0.000 1.578 0.000) 1.578 3.256 ( 0.000 -4.502 0.000) 4.502 3.256 ( 0.000 4.502 0.000) 4.502 3.369 ( 0.000 -2.126 0.000) 2.126 3.369 ( 0.000 2.126 0.000) 2.126 3.604 ( 0.000 -0.939 0.000) 0.939 3.604 ( 0.000 0.939 0.000) 0.939 3.643 ( 0.000 -4.585 0.000) 4.585 3.643 ( 0.000 4.585 0.000) 4.585 3.898 ( 0.000 -1.954 0.000) 1.954 3.898 ( 0.000 1.954 0.000) 1.954 4.097 ( 0.000 -4.134 0.000) 4.134 4.097 ( 0.000 4.134 0.000) 4.134 4.253 ( 0.000 -2.787 0.000) 2.787 4.253 ( 0.000 2.787 0.000) 2.787 4.410 ( 0.000 -1.097 0.000) 1.097 4.410 ( 0.000 1.097 0.000) 1.097 4.593 ( 0.000 -3.836 0.000) 3.836 4.593 ( 0.000 3.836 0.000) 3.836 4.730 ( 0.000 -1.101 0.000) 1.101 4.730 ( 0.000 1.101 0.000) 1.101 5.015 ( 0.000 -2.193 0.000) 2.193 5.015 ( 0.000 2.193 0.000) 2.193 5.161 ( 0.000 -0.220 0.000) 0.220 5.161 ( 0.000 0.220 0.000) 0.220 5.320 ( 0.000 -2.115 0.000) 2.115 5.320 ( 0.000 2.115 0.000) 2.115 5.555 ( 0.000 -1.249 0.000) 1.249 5.555 ( 0.000 1.249 0.000) 1.249 6.481 ( 0.000 -2.619 0.000) 2.619 6.481 ( 0.000 2.619 0.000) 2.619 6.730 ( 0.000 -1.354 0.000) 1.354 6.730 ( 0.000 1.354 0.000) 1.354 8.297 ( 0.000 -6.624 0.000) 6.624 8.297 ( 0.000 6.624 0.000) 6.624 8.840 ( 0.000 -2.779 0.000) 2.779 8.840 ( 0.000 2.779 0.000) 2.779 9.044 ( 0.000 -3.613 0.000) 3.613 9.044 ( 0.000 3.613 0.000) 3.613 9.208 ( 0.000 -0.748 0.000) 0.748 9.208 ( 0.000 0.748 0.000) 0.748 9.467 ( 0.000 -3.748 0.000) 3.748 9.467 ( 0.000 3.748 0.000) 3.748 9.652 ( 0.000 -0.180 0.000) 0.180 9.652 ( 0.000 0.180 0.000) 0.180 ======================= Grid point 16 (10/60) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 1.148 -14.899 1.002) 14.977 0.751 ( 1.148 14.899 1.002) 14.977 0.873 ( 9.086 -11.206 7.454) 16.239 0.873 ( 9.086 11.206 7.454) 16.239 1.246 ( 0.345 -2.982 1.899) 3.552 1.246 ( 0.345 2.982 1.899) 3.552 1.294 ( 3.412 -4.978 2.973) 6.728 1.294 ( 3.412 4.978 2.973) 6.728 1.411 ( 1.947 -2.406 -0.367) 3.117 1.411 ( 1.947 2.406 -0.367) 3.117 1.570 ( 4.105 -8.670 3.219) 10.119 1.570 ( 4.105 8.670 3.219) 10.119 1.635 ( -1.992 -1.761 -1.240) 2.934 1.635 ( -1.992 1.761 -1.240) 2.934 1.769 ( 1.132 -4.209 0.034) 4.358 1.769 ( 1.132 4.209 0.034) 4.358 1.885 ( -1.440 -2.319 -3.970) 4.818 1.885 ( -1.440 2.319 -3.970) 4.818 1.984 ( -5.199 -2.328 1.510) 5.893 1.984 ( -5.199 2.328 1.510) 5.893 2.058 ( 0.791 -5.443 2.006) 5.855 2.058 ( 0.791 5.443 2.006) 5.855 2.141 ( 3.435 -1.951 2.670) 4.768 2.141 ( 3.435 1.951 2.670) 4.768 2.156 ( -0.480 -2.784 -2.685) 3.898 2.156 ( -0.480 2.784 -2.685) 3.898 2.319 ( -1.576 -2.014 -1.646) 3.041 2.319 ( -1.576 2.014 -1.646) 3.041 2.462 ( -2.243 -2.353 -0.462) 3.283 2.462 ( -2.243 2.353 -0.462) 3.283 2.509 ( -0.421 -1.057 -3.230) 3.425 2.509 ( -0.421 1.057 -3.230) 3.425 2.637 ( -1.179 -5.771 1.268) 6.025 2.637 ( -1.179 5.771 1.268) 6.025 2.751 ( 0.057 -1.704 -1.017) 1.985 2.751 ( 0.057 1.704 -1.017) 1.985 2.960 ( -0.085 -0.783 -3.282) 3.375 2.960 ( -0.085 0.783 -3.282) 3.375 3.067 ( -4.023 -5.759 -3.044) 7.656 3.067 ( -4.023 5.759 -3.044) 7.656 3.274 ( -2.990 -1.808 -0.016) 3.494 3.274 ( -2.990 1.808 -0.016) 3.494 3.363 ( -1.157 -2.416 1.361) 3.005 3.363 ( -1.157 2.416 1.361) 3.005 3.560 ( -2.723 -1.638 -1.105) 3.365 3.560 ( -2.723 1.638 -1.105) 3.365 3.685 ( 0.890 -3.514 3.610) 5.116 3.685 ( 0.890 3.514 3.610) 5.116 3.884 ( 0.137 -2.825 -3.318) 4.360 3.884 ( 0.137 2.825 -3.318) 4.360 4.070 ( -1.259 -4.889 -1.373) 5.232 4.070 ( -1.259 4.889 -1.373) 5.232 4.322 ( 4.350 -1.025 -0.513) 4.498 4.322 ( 4.350 1.025 -0.513) 4.498 4.441 ( 2.137 -1.773 0.902) 2.919 4.441 ( 2.137 1.773 0.902) 2.919 4.579 ( -1.282 -3.378 0.366) 3.632 4.579 ( -1.282 3.378 0.366) 3.632 4.743 ( 1.243 -0.902 0.021) 1.536 4.743 ( 1.243 0.902 0.021) 1.536 4.981 ( -0.682 -6.318 -4.371) 7.712 4.981 ( -0.682 6.318 -4.371) 7.712 5.177 ( 0.010 -1.854 2.722) 3.294 5.177 ( 0.010 1.854 2.722) 3.294 5.317 ( -0.726 -2.783 1.260) 3.140 5.317 ( -0.726 2.783 1.260) 3.140 5.570 ( 0.039 -0.745 2.480) 2.590 5.570 ( 0.039 0.745 2.480) 2.590 6.501 ( 0.844 -1.161 1.400) 2.005 6.501 ( 0.844 1.161 1.400) 2.005 6.737 ( 0.040 -1.591 1.076) 1.921 6.737 ( 0.040 1.591 1.076) 1.921 8.342 ( 3.296 -4.800 1.848) 6.109 8.342 ( 3.296 4.800 1.848) 6.109 8.803 ( -2.267 -2.996 -3.346) 5.031 8.803 ( -2.267 2.996 -3.346) 5.031 9.021 ( -2.646 -2.673 1.887) 4.208 9.021 ( -2.646 2.673 1.887) 4.208 9.205 ( 1.819 -0.737 -4.927) 5.304 9.205 ( 1.819 0.737 -4.927) 5.304 9.380 ( -6.806 -3.250 -0.272) 7.547 9.380 ( -6.806 3.250 -0.272) 7.547 9.654 ( 0.079 -0.479 0.409) 0.635 9.654 ( 0.079 0.479 0.409) 0.635 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 5.719 -7.021 1.108) 9.122 0.833 ( 5.719 7.021 1.108) 9.122 1.087 ( 5.377 -4.100 3.356) 7.549 1.087 ( 5.377 4.100 3.356) 7.549 1.264 ( 1.651 -5.524 2.682) 6.359 1.264 ( 1.651 5.524 2.682) 6.359 1.356 ( 0.681 -2.959 3.320) 4.499 1.356 ( 0.681 2.959 3.320) 4.499 1.474 ( 2.035 -3.567 0.678) 4.163 1.474 ( 2.035 3.567 0.678) 4.163 1.590 ( -0.359 -2.994 -0.885) 3.143 1.590 ( -0.359 2.994 -0.885) 3.143 1.703 ( 0.684 -1.316 3.392) 3.702 1.703 ( 0.684 1.316 3.392) 3.702 1.761 ( -0.976 -5.472 -0.338) 5.568 1.761 ( -0.976 5.472 -0.338) 5.568 1.809 ( -0.542 -2.371 -3.949) 4.638 1.809 ( -0.542 2.371 -3.949) 4.638 1.986 ( 2.467 -3.112 4.852) 6.270 1.986 ( 2.467 3.112 4.852) 6.270 2.053 ( -0.324 -1.881 -0.830) 2.082 2.053 ( -0.324 1.881 -0.830) 2.082 2.110 ( -2.065 -1.617 2.744) 3.795 2.110 ( -2.065 1.617 2.744) 3.795 2.228 ( -0.327 -1.850 -2.791) 3.365 2.228 ( -0.327 1.850 -2.791) 3.365 2.307 ( 2.570 -5.837 1.741) 6.611 2.307 ( 2.570 5.837 1.741) 6.611 2.403 ( -0.526 -3.146 -1.697) 3.613 2.403 ( -0.526 3.146 -1.697) 3.613 2.465 ( -1.396 -2.848 -0.650) 3.238 2.465 ( -1.396 2.848 -0.650) 3.238 2.651 ( 1.227 -4.314 0.917) 4.578 2.651 ( 1.227 4.314 0.917) 4.578 2.733 ( -1.481 -2.563 -1.363) 3.259 2.733 ( -1.481 2.563 -1.363) 3.259 2.843 ( -5.238 -3.178 -7.118) 9.391 2.843 ( -5.238 3.178 -7.118) 9.391 3.079 ( 4.593 -2.460 -2.946) 5.986 3.079 ( 4.593 2.460 -2.946) 5.986 3.190 ( -3.600 -2.901 -0.657) 4.670 3.190 ( -3.600 2.901 -0.657) 4.670 3.315 ( -5.583 -2.839 2.162) 6.626 3.315 ( -5.583 2.839 2.162) 6.626 3.513 ( -1.473 -1.830 0.196) 2.357 3.513 ( -1.473 1.830 0.196) 2.357 3.722 ( 0.199 -3.091 3.004) 4.315 3.722 ( 0.199 3.091 3.004) 4.315 3.855 ( 0.205 -4.200 -3.773) 5.650 3.855 ( 0.205 4.200 -3.773) 5.650 4.039 ( -0.964 -4.915 -0.587) 5.043 4.039 ( -0.964 4.915 -0.587) 5.043 4.362 ( 0.912 -3.781 -1.195) 4.069 4.362 ( 0.912 3.781 -1.195) 4.069 4.481 ( 1.173 -1.911 0.775) 2.373 4.481 ( 1.173 1.911 0.775) 2.373 4.561 ( -0.609 -2.165 -0.366) 2.278 4.561 ( -0.609 2.165 -0.366) 2.278 4.772 ( 1.365 -1.313 0.279) 1.914 4.772 ( 1.365 1.313 0.279) 1.914 4.939 ( -0.614 -5.441 -2.158) 5.886 4.939 ( -0.614 5.441 -2.158) 5.886 5.196 ( 0.327 -3.187 0.773) 3.296 5.196 ( 0.327 3.187 0.773) 3.296 5.320 ( -0.051 -3.114 0.985) 3.266 5.320 ( -0.051 3.114 0.985) 3.266 5.587 ( -0.311 -1.250 1.989) 2.370 5.587 ( -0.311 1.250 1.989) 2.370 6.520 ( 0.056 -2.383 0.779) 2.507 6.520 ( 0.056 2.383 0.779) 2.507 6.745 ( -0.175 -1.481 0.974) 1.781 6.745 ( -0.175 1.481 0.974) 1.781 8.425 ( 2.984 -1.907 2.104) 4.119 8.425 ( 2.984 1.907 2.104) 4.119 8.715 ( -3.095 -2.318 -3.342) 5.111 8.715 ( -3.095 2.318 -3.342) 5.111 8.993 ( -1.349 -1.698 0.734) 2.289 8.993 ( -1.349 1.698 0.734) 2.289 9.197 ( 2.435 -0.535 -6.211) 6.692 9.197 ( 2.435 0.535 -6.211) 6.692 9.270 ( -5.448 -2.840 3.273) 6.961 9.270 ( -5.448 2.840 3.273) 6.961 9.660 ( 0.076 -0.817 0.452) 0.937 9.660 ( 0.076 0.817 0.452) 0.937 ======================= Grid point 20 (12/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 0.000 -0.007 0.000) 0.007 0.916 ( 0.000 0.007 0.000) 0.007 1.121 ( 0.000 -2.287 0.000) 2.287 1.121 ( 0.000 2.287 0.000) 2.287 1.311 ( 0.000 -6.534 0.000) 6.534 1.311 ( 0.000 6.534 -0.000) 6.534 1.412 ( 0.000 -0.495 0.000) 0.495 1.412 ( 0.000 0.495 0.000) 0.495 1.471 ( 0.000 -2.513 0.000) 2.513 1.471 ( 0.000 2.513 -0.000) 2.513 1.598 ( 0.000 -2.451 0.000) 2.451 1.598 ( 0.000 2.451 -0.000) 2.451 1.664 ( 0.000 -2.221 0.000) 2.221 1.664 ( 0.000 2.221 0.000) 2.221 1.739 ( 0.000 -0.861 0.000) 0.861 1.739 ( 0.000 0.861 0.000) 0.861 1.837 ( 0.000 -1.840 0.000) 1.840 1.837 ( 0.000 1.840 0.000) 1.840 2.007 ( -0.000 -0.621 0.000) 0.621 2.007 ( -0.000 0.621 0.000) 0.621 2.009 ( 0.000 -1.537 -0.000) 1.537 2.009 ( 0.000 1.537 -0.000) 1.537 2.202 ( -0.000 -0.054 0.000) 0.054 2.202 ( 0.000 0.054 -0.000) 0.054 2.247 ( 0.000 -2.309 0.000) 2.309 2.247 ( 0.000 2.309 -0.000) 2.309 2.275 ( -0.000 -0.161 0.000) 0.161 2.275 ( -0.000 0.161 0.000) 0.161 2.367 ( 0.000 -0.881 0.000) 0.881 2.367 ( 0.000 0.881 0.000) 0.881 2.514 ( 0.000 -7.097 0.000) 7.097 2.514 ( 0.000 7.097 0.000) 7.097 2.674 ( 0.000 -0.607 0.000) 0.607 2.674 ( 0.000 0.607 -0.000) 0.607 2.693 ( 0.000 -0.678 0.000) 0.678 2.693 ( 0.000 0.678 0.000) 0.678 2.723 ( 0.000 -1.620 0.000) 1.620 2.723 ( -0.000 1.620 -0.000) 1.620 3.104 ( 0.000 -2.351 0.000) 2.351 3.104 ( 0.000 2.351 0.000) 2.351 3.190 ( 0.000 -3.058 0.000) 3.058 3.190 ( 0.000 3.058 0.000) 3.058 3.230 ( 0.000 -0.666 0.000) 0.666 3.230 ( 0.000 0.666 0.000) 0.666 3.501 ( 0.000 -0.435 0.000) 0.435 3.501 ( 0.000 0.435 0.000) 0.435 3.740 ( 0.000 -1.245 0.000) 1.245 3.740 ( 0.000 1.245 0.000) 1.245 3.838 ( 0.000 -4.884 -0.000) 4.884 3.838 ( 0.000 4.884 0.000) 4.884 4.027 ( 0.000 -4.911 0.000) 4.911 4.027 ( 0.000 4.911 0.000) 4.911 4.361 ( 0.000 -4.558 0.000) 4.558 4.361 ( 0.000 4.558 -0.000) 4.558 4.497 ( 0.000 -0.165 0.000) 0.165 4.497 ( 0.000 0.165 0.000) 0.165 4.551 ( 0.000 -1.784 0.000) 1.784 4.551 ( 0.000 1.784 0.000) 1.784 4.788 ( 0.000 -1.782 0.000) 1.782 4.788 ( 0.000 1.782 0.000) 1.782 4.924 ( 0.000 -4.175 0.000) 4.175 4.924 ( 0.000 4.175 0.000) 4.175 5.202 ( 0.000 -3.334 0.000) 3.334 5.202 ( 0.000 3.334 0.000) 3.334 5.325 ( 0.000 -2.755 0.000) 2.755 5.325 ( 0.000 2.755 0.000) 2.755 5.592 ( 0.000 -0.881 0.000) 0.881 5.592 ( 0.000 0.881 0.000) 0.881 6.522 ( 0.000 -3.114 0.000) 3.114 6.522 ( 0.000 3.114 0.000) 3.114 6.747 ( 0.000 -0.501 0.000) 0.501 6.747 ( 0.000 0.501 0.000) 0.501 8.468 ( 0.000 -0.988 0.000) 0.988 8.468 ( 0.000 0.988 0.000) 0.988 8.664 ( 0.000 -0.744 0.000) 0.744 8.664 ( 0.000 0.744 -0.000) 0.744 8.983 ( 0.000 -1.519 0.000) 1.519 8.983 ( 0.000 1.519 0.000) 1.519 9.195 ( -0.000 -0.482 0.000) 0.482 9.195 ( 0.000 0.482 -0.000) 0.482 9.231 ( -0.000 -1.737 0.000) 1.737 9.231 ( 0.000 1.737 -0.000) 1.737 9.663 ( 0.000 -0.999 0.000) 0.999 9.663 ( 0.000 0.999 0.000) 0.999 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( -0.730 0.000 18.402) 18.416 0.478 ( -4.222 0.000 21.327) 21.741 0.862 ( 4.830 0.000 37.465) 37.775 1.155 ( 2.500 0.000 0.791) 2.623 1.187 ( -2.340 0.000 -2.741) 3.604 1.258 ( -2.623 0.000 1.226) 2.895 1.267 ( 4.201 0.000 5.830) 7.186 1.393 ( 4.584 0.000 6.836) 8.231 1.469 ( -0.325 0.000 1.444) 1.480 1.470 ( -0.432 0.000 0.205) 0.478 1.545 ( -5.365 0.000 3.611) 6.467 1.572 ( 1.657 0.000 2.518) 3.014 1.667 ( -3.429 0.000 -3.686) 5.034 1.704 ( -0.688 0.000 1.067) 1.270 1.743 ( -2.186 0.000 -3.500) 4.126 1.805 ( 2.396 0.000 0.670) 2.488 1.827 ( -4.797 0.000 2.365) 5.349 1.907 ( 7.853 0.000 2.955) 8.391 1.925 ( 0.555 0.000 1.568) 1.664 1.989 ( -1.027 0.000 -3.646) 3.788 2.017 ( -1.714 0.000 -1.341) 2.176 2.067 ( -1.337 0.000 -0.070) 1.339 2.081 ( 0.740 0.000 0.707) 1.024 2.182 ( -2.666 0.000 1.442) 3.031 2.193 ( -2.315 0.000 -1.721) 2.885 2.280 ( 0.625 0.000 0.887) 1.085 2.335 ( 2.645 0.000 -5.257) 5.885 2.361 ( -0.791 0.000 -2.508) 2.630 2.397 ( 0.304 0.000 1.905) 1.929 2.493 ( -1.106 0.000 -2.032) 2.313 2.534 ( 3.005 0.000 0.812) 3.113 2.557 ( -3.470 0.000 -1.679) 3.855 2.658 ( -2.161 0.000 1.698) 2.749 2.672 ( -1.084 0.000 -5.798) 5.898 2.726 ( 2.864 0.000 2.196) 3.609 2.769 ( -3.243 0.000 -0.195) 3.249 2.873 ( -1.821 0.000 -0.913) 2.037 2.922 ( 1.296 0.000 0.220) 1.315 3.020 ( 1.127 0.000 -2.472) 2.717 3.028 ( -8.122 0.000 4.592) 9.330 3.162 ( 1.239 0.000 -4.294) 4.469 3.209 ( 1.224 0.000 4.818) 4.971 3.342 ( 2.355 0.000 -3.696) 4.383 3.427 ( -4.603 0.000 -7.247) 8.585 3.528 ( -2.780 0.000 0.749) 2.879 3.555 ( 2.202 0.000 -1.088) 2.456 3.667 ( 4.317 0.000 1.472) 4.561 3.681 ( 1.712 0.000 0.595) 1.812 3.802 ( -1.552 0.000 -2.414) 2.870 3.902 ( -0.770 0.000 -4.423) 4.490 4.044 ( -2.773 0.000 0.854) 2.902 4.184 ( 7.155 0.000 1.727) 7.361 4.237 ( 3.100 0.000 -1.461) 3.427 4.258 ( -1.468 0.000 -0.943) 1.745 4.420 ( -0.536 0.000 1.804) 1.882 4.447 ( 0.833 0.000 0.217) 0.861 4.501 ( -8.969 0.000 0.040) 8.969 4.628 ( 1.997 0.000 -3.674) 4.181 4.639 ( -0.674 0.000 0.006) 0.674 4.741 ( 1.886 0.000 2.008) 2.755 4.846 ( -1.645 0.000 4.307) 4.611 5.098 ( 2.034 0.000 0.160) 2.040 5.160 ( -0.245 0.000 -0.285) 0.376 5.193 ( 3.714 0.000 -8.337) 9.126 5.277 ( -0.877 0.000 1.826) 2.026 5.483 ( -5.548 0.000 1.673) 5.795 5.536 ( -0.679 0.000 -2.488) 2.579 5.727 ( 4.619 0.000 -3.892) 6.040 6.595 ( -0.368 0.000 0.583) 0.689 6.613 ( -0.179 0.000 -0.687) 0.710 6.744 ( -0.620 0.000 -0.141) 0.636 6.874 ( 31.276 0.000 -1.737) 31.324 8.200 ( -2.933 0.000 3.920) 4.896 8.501 ( 0.203 0.000 0.998) 1.018 8.551 ( 0.779 0.000 0.892) 1.184 8.752 ( -0.785 0.000 -1.200) 1.434 8.871 ( -0.408 0.000 -1.079) 1.153 8.972 ( 0.418 0.000 -0.002) 0.418 9.089 ( 2.488 0.000 -5.059) 5.637 9.241 ( -4.439 0.000 -3.573) 5.698 9.383 ( -3.404 0.000 6.066) 6.955 9.629 ( -5.276 0.000 -0.950) 5.361 9.663 ( 0.947 0.000 0.589) 1.115 9.695 ( -11.643 0.000 -0.609) 11.659 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 7.052 0.000 14.259) 15.907 0.652 ( 9.073 0.000 12.667) 15.581 1.090 ( -5.181 0.000 -1.713) 5.456 1.188 ( -1.520 0.000 1.929) 2.456 1.227 ( 0.050 0.000 2.703) 2.704 1.312 ( 7.050 0.000 13.007) 14.795 1.403 ( 4.220 0.000 2.212) 4.764 1.468 ( -0.610 0.000 0.861) 1.055 1.492 ( -1.651 0.000 5.916) 6.142 1.508 ( 2.184 0.000 4.445) 4.952 1.606 ( -1.021 0.000 0.212) 1.043 1.615 ( 9.453 0.000 17.908) 20.250 1.650 ( -2.511 0.000 -0.944) 2.683 1.696 ( -2.139 0.000 0.556) 2.210 1.711 ( -0.173 0.000 2.968) 2.973 1.753 ( 4.963 0.000 1.618) 5.221 1.845 ( -1.865 0.000 1.581) 2.445 1.893 ( -4.424 0.000 -4.548) 6.345 1.909 ( -1.433 0.000 -2.668) 3.028 1.949 ( -0.226 0.000 -1.848) 1.862 2.007 ( 1.163 0.000 -0.111) 1.168 2.065 ( -1.732 0.000 3.576) 3.974 2.132 ( -0.185 0.000 0.004) 0.185 2.148 ( -2.146 0.000 0.792) 2.288 2.196 ( -0.899 0.000 5.107) 5.185 2.270 ( 3.052 0.000 -2.716) 4.086 2.315 ( -3.184 0.000 -7.273) 7.939 2.337 ( 1.838 0.000 -1.241) 2.218 2.381 ( -1.195 0.000 -1.768) 2.134 2.406 ( -3.713 0.000 -5.083) 6.295 2.493 ( 0.702 0.000 1.072) 1.281 2.580 ( 1.562 0.000 2.504) 2.951 2.622 ( -2.413 0.000 -1.237) 2.711 2.705 ( 5.351 0.000 0.245) 5.356 2.744 ( -0.881 0.000 -0.181) 0.900 2.758 ( -0.983 0.000 -1.762) 2.018 2.851 ( -0.986 0.000 0.275) 1.023 2.938 ( -4.392 0.000 -3.407) 5.559 2.964 ( 2.639 0.000 -0.529) 2.692 3.057 ( -6.981 0.000 -7.934) 10.568 3.094 ( 6.403 0.000 2.862) 7.014 3.232 ( -3.092 0.000 2.343) 3.879 3.330 ( 0.887 0.000 0.085) 0.892 3.341 ( 1.735 0.000 -4.024) 4.382 3.469 ( -3.004 0.000 -0.879) 3.130 3.548 ( -1.854 0.000 -0.809) 2.022 3.672 ( -3.778 0.000 -0.948) 3.895 3.725 ( 0.650 0.000 -1.553) 1.683 3.727 ( -2.581 0.000 -0.253) 2.594 3.862 ( 0.600 0.000 -3.756) 3.803 3.998 ( -1.487 0.000 -1.070) 1.832 4.191 ( -3.085 0.000 0.641) 3.150 4.272 ( 0.207 0.000 1.708) 1.720 4.314 ( 4.653 0.000 -2.499) 5.281 4.429 ( -0.226 0.000 1.895) 1.908 4.485 ( 4.504 0.000 -1.332) 4.697 4.515 ( 4.477 0.000 0.670) 4.527 4.599 ( -1.018 0.000 -1.770) 2.042 4.670 ( 2.784 0.000 -1.265) 3.058 4.804 ( 2.134 0.000 2.692) 3.435 4.834 ( -3.071 0.000 3.018) 4.305 5.124 ( -0.594 0.000 1.773) 1.870 5.141 ( -0.617 0.000 -0.800) 1.010 5.197 ( 4.196 0.000 -7.979) 9.015 5.274 ( -1.365 0.000 2.629) 2.962 5.385 ( -3.881 0.000 -0.603) 3.927 5.507 ( -0.010 0.000 -2.441) 2.441 5.682 ( -3.016 0.000 -3.116) 4.337 6.562 ( -3.199 0.000 -0.065) 3.199 6.614 ( 0.818 0.000 -1.090) 1.363 6.731 ( -0.078 0.000 -0.842) 0.846 7.026 ( -3.585 0.000 -1.280) 3.807 8.384 ( 13.171 0.000 -1.360) 13.241 8.496 ( -0.803 0.000 -0.774) 1.115 8.575 ( 0.739 0.000 1.031) 1.269 8.730 ( -0.168 0.000 -1.409) 1.419 8.865 ( -0.139 0.000 1.252) 1.260 8.955 ( -2.666 0.000 0.039) 2.666 9.087 ( 1.679 0.000 -4.670) 4.963 9.132 ( -2.318 0.000 -2.126) 3.145 9.360 ( -3.704 0.000 5.277) 6.447 9.426 ( -8.471 0.000 2.968) 8.976 9.663 ( -0.422 0.000 0.595) 0.730 9.688 ( 0.689 0.000 1.228) 1.408 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 6.982 0.000 6.693) 9.672 0.929 ( 11.968 0.000 5.739) 13.272 1.001 ( -2.923 0.000 1.467) 3.270 1.190 ( -0.285 0.000 2.401) 2.418 1.246 ( -1.018 0.000 2.844) 3.021 1.379 ( -1.828 0.000 -1.894) 2.633 1.408 ( -2.162 0.000 1.191) 2.469 1.425 ( -4.854 0.000 0.880) 4.933 1.510 ( -4.621 0.000 -0.270) 4.629 1.526 ( -1.935 0.000 4.003) 4.446 1.545 ( 1.561 0.000 -4.220) 4.500 1.653 ( 2.235 0.000 -2.776) 3.564 1.669 ( -4.645 0.000 2.145) 5.116 1.733 ( 2.635 0.000 4.073) 4.851 1.784 ( -0.041 0.000 0.253) 0.256 1.790 ( -2.576 0.000 -0.629) 2.651 1.860 ( 1.490 0.000 0.312) 1.522 1.899 ( 0.313 0.000 -1.316) 1.353 1.955 ( 2.912 0.000 0.630) 2.979 2.015 ( 0.208 0.000 -0.128) 0.245 2.037 ( -5.128 0.000 1.673) 5.394 2.069 ( 4.789 0.000 12.168) 13.077 2.100 ( -0.020 0.000 0.697) 0.698 2.127 ( -0.348 0.000 0.590) 0.685 2.163 ( -0.480 0.000 4.882) 4.906 2.179 ( 0.523 0.000 -1.688) 1.767 2.269 ( -3.527 0.000 -2.656) 4.415 2.374 ( 1.555 0.000 0.592) 1.664 2.408 ( 2.298 0.000 -0.680) 2.397 2.416 ( 2.087 0.000 4.175) 4.668 2.443 ( -4.923 0.000 -10.235) 11.357 2.548 ( -3.202 0.000 4.289) 5.352 2.628 ( 1.939 0.000 1.626) 2.530 2.699 ( -1.260 0.000 -2.798) 3.069 2.720 ( -0.719 0.000 -0.170) 0.739 2.781 ( -2.389 0.000 -0.996) 2.588 2.808 ( -0.385 0.000 -2.522) 2.551 2.862 ( 3.399 0.000 10.025) 10.585 2.972 ( -0.049 0.000 -2.980) 2.981 3.022 ( 4.734 0.000 -4.276) 6.379 3.149 ( -4.994 0.000 0.666) 5.038 3.236 ( 3.042 0.000 2.217) 3.764 3.357 ( 2.538 0.000 -2.529) 3.583 3.362 ( -0.017 0.000 1.911) 1.911 3.404 ( -0.198 0.000 -3.877) 3.882 3.488 ( -4.000 0.000 1.445) 4.253 3.555 ( -2.863 0.000 -4.239) 5.115 3.671 ( -3.066 0.000 -4.006) 5.045 3.723 ( -0.489 0.000 3.135) 3.172 3.862 ( 2.587 0.000 -3.407) 4.278 3.984 ( 0.862 0.000 -1.050) 1.359 4.151 ( -1.680 0.000 0.492) 1.751 4.274 ( -1.069 0.000 1.819) 2.110 4.368 ( 2.521 0.000 -1.879) 3.144 4.441 ( 0.585 0.000 -0.116) 0.596 4.506 ( -0.472 0.000 0.680) 0.828 4.573 ( -0.254 0.000 -0.505) 0.565 4.653 ( 7.802 0.000 -1.165) 7.888 4.702 ( -0.250 0.000 1.216) 1.242 4.797 ( -1.086 0.000 -0.067) 1.088 4.848 ( 0.353 0.000 1.353) 1.398 5.099 ( -2.861 0.000 1.600) 3.278 5.127 ( -0.487 0.000 0.057) 0.490 5.225 ( 4.244 0.000 -4.999) 6.557 5.260 ( -2.021 0.000 0.300) 2.044 5.346 ( 0.489 0.000 -2.137) 2.193 5.508 ( 1.188 0.000 0.800) 1.432 5.593 ( -3.278 0.000 -2.908) 4.382 6.498 ( -2.393 0.000 -0.494) 2.443 6.618 ( 0.956 0.000 -2.357) 2.543 6.727 ( 0.428 0.000 -1.028) 1.113 6.921 ( -6.228 0.000 1.025) 6.312 8.479 ( 0.151 0.000 -0.486) 0.509 8.553 ( 2.978 0.000 -0.427) 3.008 8.613 ( 5.175 0.000 -0.456) 5.195 8.707 ( -0.447 0.000 -3.094) 3.126 8.878 ( -4.061 0.000 -1.295) 4.263 8.886 ( -0.011 0.000 3.286) 3.286 9.080 ( 1.691 0.000 -4.269) 4.592 9.124 ( 2.526 0.000 -1.955) 3.195 9.339 ( -3.222 0.000 5.507) 6.380 9.341 ( -3.954 0.000 4.252) 5.806 9.656 ( -0.743 0.000 0.524) 0.909 9.703 ( -0.341 0.000 1.184) 1.232 ======================= Grid point 38 (16/60) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -5.390 0.000 1.433) 5.577 1.009 ( -0.079 0.000 4.080) 4.081 1.128 ( -2.577 0.000 -2.085) 3.315 1.186 ( -1.601 0.000 4.272) 4.562 1.197 ( -2.056 0.000 -3.630) 4.172 1.269 ( -5.601 0.000 2.251) 6.036 1.362 ( 1.986 0.000 -1.527) 2.506 1.366 ( -1.184 0.000 0.372) 1.241 1.450 ( -0.084 0.000 -4.368) 4.369 1.547 ( 1.903 0.000 -1.107) 2.202 1.569 ( -0.569 0.000 5.157) 5.188 1.619 ( -2.996 0.000 1.014) 3.163 1.672 ( 2.532 0.000 1.363) 2.875 1.701 ( -5.732 0.000 0.376) 5.744 1.745 ( -0.822 0.000 -2.696) 2.819 1.802 ( 1.347 0.000 1.246) 1.835 1.890 ( -9.735 0.000 -1.640) 9.872 1.907 ( -8.848 0.000 -0.961) 8.900 1.934 ( 5.168 0.000 0.304) 5.176 1.951 ( -2.826 0.000 -3.404) 4.424 2.034 ( 1.042 0.000 -1.950) 2.210 2.050 ( 0.358 0.000 4.333) 4.348 2.103 ( -0.183 0.000 -0.026) 0.185 2.128 ( 0.651 0.000 0.257) 0.700 2.166 ( 4.095 0.000 3.410) 5.328 2.171 ( -1.887 0.000 -1.409) 2.356 2.200 ( -0.249 0.000 -0.181) 0.308 2.360 ( 2.362 0.000 -3.805) 4.478 2.377 ( -1.642 0.000 -1.235) 2.055 2.426 ( -1.210 0.000 0.676) 1.386 2.550 ( 2.303 0.000 2.672) 3.527 2.606 ( 1.046 0.000 5.612) 5.709 2.649 ( -0.687 0.000 0.853) 1.095 2.735 ( 2.521 0.000 0.904) 2.678 2.757 ( 0.722 0.000 4.473) 4.531 2.767 ( 0.017 0.000 1.604) 1.604 2.816 ( 4.844 0.000 4.566) 6.657 2.956 ( 2.269 0.000 1.117) 2.529 2.989 ( -0.819 0.000 6.528) 6.579 3.077 ( 6.090 0.000 -6.194) 8.687 3.090 ( -0.617 0.000 0.931) 1.117 3.223 ( -3.835 0.000 -1.318) 4.055 3.324 ( 0.429 0.000 -3.620) 3.646 3.356 ( -0.725 0.000 -0.372) 0.815 3.429 ( -2.421 0.000 1.654) 2.932 3.477 ( 4.400 0.000 -0.169) 4.403 3.550 ( 2.689 0.000 -0.193) 2.696 3.581 ( -1.174 0.000 -4.521) 4.671 3.751 ( 0.443 0.000 3.645) 3.672 3.900 ( 3.652 0.000 -2.163) 4.244 4.008 ( 1.831 0.000 0.386) 1.871 4.131 ( -0.531 0.000 -0.105) 0.541 4.267 ( -1.048 0.000 1.320) 1.685 4.368 ( -0.842 0.000 -1.400) 1.634 4.446 ( 0.912 0.000 -2.301) 2.475 4.498 ( -0.678 0.000 0.485) 0.834 4.595 ( 1.927 0.000 1.877) 2.690 4.672 ( -2.562 0.000 0.003) 2.562 4.760 ( 3.571 0.000 -1.389) 3.831 4.803 ( 0.751 0.000 0.521) 0.914 4.850 ( -0.115 0.000 1.342) 1.347 5.067 ( -2.254 0.000 3.229) 3.937 5.128 ( 0.295 0.000 -0.102) 0.312 5.208 ( -1.834 0.000 -1.023) 2.100 5.251 ( 2.095 0.000 -5.026) 5.445 5.347 ( 2.767 0.000 -5.506) 6.162 5.519 ( -2.524 0.000 -0.831) 2.657 5.554 ( 1.225 0.000 2.842) 3.095 6.483 ( 0.997 0.000 0.255) 1.029 6.603 ( 0.368 0.000 -4.690) 4.705 6.727 ( 0.458 0.000 -0.880) 0.992 6.815 ( -5.279 0.000 -0.211) 5.283 8.494 ( 0.801 0.000 0.638) 1.024 8.547 ( -0.887 0.000 -1.365) 1.628 8.674 ( 0.386 0.000 -2.877) 2.903 8.688 ( 0.300 0.000 -1.845) 1.870 8.824 ( 1.469 0.000 -1.058) 1.811 8.908 ( -0.159 0.000 2.097) 2.103 9.080 ( 2.022 0.000 -4.170) 4.635 9.173 ( 3.697 0.000 -1.389) 3.950 9.335 ( -2.446 0.000 6.451) 6.899 9.349 ( -0.601 0.000 8.240) 8.261 9.647 ( -0.485 0.000 0.428) 0.646 9.694 ( -1.258 0.000 0.460) 1.340 ======================= Grid point 39 (17/60) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -15.409 0.000 2.346) 15.587 0.799 ( -18.975 0.000 -8.237) 20.686 1.109 ( 4.636 0.000 5.502) 7.195 1.113 ( -4.406 0.000 0.513) 4.435 1.172 ( -4.846 0.000 4.736) 6.776 1.266 ( -13.049 0.000 3.490) 13.508 1.306 ( -2.296 0.000 -4.587) 5.130 1.403 ( -0.140 0.000 3.333) 3.336 1.423 ( -3.675 0.000 -0.430) 3.700 1.455 ( 2.521 0.000 -0.428) 2.557 1.569 ( -5.938 0.000 -1.183) 6.055 1.603 ( -4.106 0.000 0.163) 4.109 1.622 ( 3.786 0.000 2.551) 4.565 1.630 ( -0.656 0.000 0.761) 1.005 1.770 ( 1.926 0.000 3.000) 3.565 1.794 ( 3.724 0.000 1.738) 4.110 1.798 ( 0.505 0.000 -1.297) 1.391 1.874 ( -0.202 0.000 -0.109) 0.230 1.949 ( 1.412 0.000 -0.236) 1.432 1.954 ( -1.043 0.000 -5.205) 5.308 2.036 ( 0.506 0.000 1.252) 1.351 2.076 ( -3.571 0.000 2.423) 4.316 2.091 ( 0.056 0.000 4.477) 4.478 2.166 ( 3.246 0.000 -1.617) 3.626 2.189 ( 4.567 0.000 -0.053) 4.568 2.238 ( 3.836 0.000 -0.462) 3.864 2.315 ( 6.544 0.000 1.845) 6.799 2.325 ( -1.287 0.000 -2.683) 2.976 2.355 ( -0.584 0.000 -2.763) 2.824 2.412 ( 0.037 0.000 -0.255) 0.258 2.559 ( -2.733 0.000 2.875) 3.967 2.637 ( -1.256 0.000 0.941) 1.569 2.654 ( 1.348 0.000 4.208) 4.419 2.718 ( -2.363 0.000 -0.423) 2.401 2.771 ( -0.068 0.000 1.915) 1.916 2.838 ( 0.761 0.000 0.819) 1.118 2.864 ( 1.498 0.000 -1.410) 2.057 2.943 ( -2.358 0.000 -1.175) 2.635 3.103 ( 0.822 0.000 -3.872) 3.958 3.140 ( 5.061 0.000 -5.184) 7.244 3.164 ( -3.411 0.000 5.902) 6.817 3.178 ( 8.847 0.000 8.574) 12.320 3.291 ( -0.155 0.000 -4.196) 4.199 3.357 ( 0.543 0.000 3.440) 3.483 3.433 ( 3.128 0.000 -3.599) 4.768 3.511 ( 0.200 0.000 1.537) 1.550 3.581 ( 3.395 0.000 -4.413) 5.567 3.596 ( 1.205 0.000 0.988) 1.558 3.799 ( 1.385 0.000 2.562) 2.912 3.947 ( 2.301 0.000 -1.499) 2.746 4.050 ( 1.414 0.000 1.523) 2.078 4.134 ( 1.181 0.000 -0.366) 1.236 4.249 ( -1.940 0.000 -0.127) 1.944 4.331 ( -1.317 0.000 -1.316) 1.862 4.437 ( -0.285 0.000 -1.044) 1.082 4.482 ( -1.019 0.000 -1.147) 1.534 4.629 ( -0.611 0.000 -2.308) 2.388 4.654 ( 1.434 0.000 2.098) 2.541 4.746 ( -1.667 0.000 -2.260) 2.809 4.821 ( -0.329 0.000 2.779) 2.798 4.917 ( 3.668 0.000 5.542) 6.646 5.079 ( -0.485 0.000 6.835) 6.853 5.117 ( 0.426 0.000 -2.087) 2.130 5.217 ( -0.133 0.000 -6.313) 6.314 5.220 ( 1.778 0.000 2.405) 2.991 5.304 ( 0.824 0.000 -17.212) 17.232 5.504 ( -1.109 0.000 5.865) 5.969 5.582 ( -0.323 0.000 1.504) 1.539 6.526 ( 2.584 0.000 0.620) 2.657 6.542 ( -1.448 0.000 -8.091) 8.219 6.716 ( -4.343 0.000 -1.123) 4.486 6.733 ( 0.620 0.000 -0.112) 0.630 8.497 ( -0.491 0.000 -0.396) 0.631 8.515 ( -0.760 0.000 -2.740) 2.843 8.612 ( -3.463 0.000 -4.673) 5.816 8.696 ( 2.767 0.000 0.542) 2.819 8.889 ( 3.965 0.000 -0.193) 3.970 8.913 ( -0.442 0.000 0.108) 0.456 9.082 ( 2.296 0.000 -5.172) 5.659 9.237 ( 3.807 0.000 -0.438) 3.832 9.354 ( -1.805 0.000 7.435) 7.651 9.458 ( 2.705 0.000 12.758) 13.042 9.649 ( 0.153 0.000 1.323) 1.331 9.668 ( -1.227 0.000 -0.382) 1.285 ======================= Grid point 40 (18/60) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -14.613 0.000 9.407) 17.379 0.470 ( -16.499 0.000 10.147) 19.370 0.862 ( -26.248 0.000 23.516) 35.242 1.121 ( 1.804 0.000 -1.866) 2.595 1.183 ( -0.634 0.000 5.649) 5.684 1.237 ( 0.577 0.000 -3.419) 3.468 1.245 ( 3.560 0.000 4.385) 5.648 1.334 ( -5.181 0.000 -1.039) 5.284 1.493 ( -1.914 0.000 2.084) 2.830 1.496 ( 0.279 0.000 0.501) 0.573 1.517 ( 2.133 0.000 2.860) 3.568 1.573 ( 0.148 0.000 0.002) 0.148 1.670 ( 3.148 0.000 0.557) 3.197 1.683 ( 3.958 0.000 1.411) 4.202 1.760 ( -0.104 0.000 -1.195) 1.200 1.803 ( -1.283 0.000 -0.479) 1.370 1.828 ( -1.017 0.000 -3.587) 3.728 1.885 ( -2.199 0.000 1.455) 2.637 1.944 ( 2.326 0.000 2.709) 3.571 1.971 ( 1.718 0.000 -1.043) 2.010 2.024 ( -1.077 0.000 -1.758) 2.062 2.071 ( 0.978 0.000 0.320) 1.030 2.114 ( -1.531 0.000 2.644) 3.055 2.212 ( 0.886 0.000 1.281) 1.558 2.261 ( -3.904 0.000 -3.855) 5.487 2.284 ( 4.125 0.000 0.185) 4.129 2.285 ( 0.200 0.000 -3.841) 3.846 2.324 ( 3.034 0.000 3.986) 5.009 2.399 ( 0.320 0.000 0.456) 0.557 2.448 ( 4.398 0.000 -1.929) 4.803 2.566 ( 1.165 0.000 1.424) 1.840 2.577 ( -5.620 0.000 -0.781) 5.674 2.678 ( 0.774 0.000 -0.792) 1.108 2.685 ( -2.277 0.000 4.015) 4.616 2.775 ( -3.234 0.000 -4.118) 5.236 2.815 ( 1.395 0.000 2.394) 2.771 2.883 ( 1.443 0.000 -0.709) 1.608 2.930 ( -1.285 0.000 -1.501) 1.976 3.058 ( -1.954 0.000 -3.688) 4.173 3.151 ( -0.511 0.000 4.512) 4.541 3.160 ( 1.441 0.000 -6.216) 6.381 3.303 ( -4.448 0.000 -2.950) 5.337 3.306 ( 3.632 0.000 -2.317) 4.308 3.417 ( 4.871 0.000 3.417) 5.950 3.483 ( 5.489 0.000 -5.631) 7.864 3.537 ( 0.647 0.000 1.921) 2.027 3.601 ( 2.198 0.000 -2.144) 3.070 3.629 ( 2.145 0.000 0.781) 2.283 3.824 ( 0.057 0.000 -0.566) 0.569 3.948 ( -0.273 0.000 -2.947) 2.960 4.080 ( -0.246 0.000 2.824) 2.835 4.164 ( -5.444 0.000 -3.172) 6.301 4.173 ( 3.534 0.000 -1.226) 3.740 4.301 ( -1.378 0.000 -0.477) 1.458 4.423 ( -0.857 0.000 0.651) 1.076 4.444 ( -0.926 0.000 -1.512) 1.773 4.615 ( 1.564 0.000 -3.311) 3.662 4.666 ( -1.155 0.000 0.583) 1.294 4.709 ( -0.230 0.000 -0.741) 0.776 4.836 ( -1.083 0.000 3.887) 4.035 4.936 ( -16.008 0.000 -21.325) 26.665 5.048 ( 3.588 0.000 -2.445) 4.342 5.137 ( 2.094 0.000 0.191) 2.103 5.197 ( 2.923 0.000 -7.116) 7.692 5.268 ( 0.653 0.000 1.829) 1.942 5.325 ( 15.443 0.000 22.945) 27.658 5.533 ( -2.011 0.000 5.448) 5.807 5.569 ( -1.142 0.000 -0.782) 1.385 6.436 ( -0.900 0.000 -0.734) 1.162 6.575 ( 1.740 0.000 0.532) 1.819 6.643 ( -2.343 0.000 -0.620) 2.424 6.746 ( 0.327 0.000 0.449) 0.555 8.408 ( -7.325 0.000 -8.991) 11.597 8.489 ( -0.007 0.000 0.366) 0.366 8.541 ( -0.506 0.000 -0.499) 0.711 8.752 ( 1.404 0.000 0.918) 1.677 8.894 ( -0.709 0.000 -1.463) 1.625 8.948 ( 2.318 0.000 -0.348) 2.344 9.083 ( 2.717 0.000 -5.719) 6.332 9.290 ( 1.918 0.000 -2.259) 2.963 9.381 ( -2.292 0.000 7.289) 7.640 9.617 ( 2.856 0.000 1.655) 3.301 9.651 ( -0.038 0.000 -0.310) 0.313 9.743 ( 7.001 0.000 10.857) 12.919 ======================= Grid point 41 (19/60) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -3.231 12.769 14.132) 19.318 0.605 ( 0.162 12.270 14.661) 19.119 1.038 ( 3.323 13.456 24.066) 27.772 1.072 ( 0.693 -7.507 4.083) 8.573 1.110 ( -0.486 -7.428 6.808) 10.087 1.238 ( -0.373 0.210 -0.085) 0.436 1.270 ( 2.235 0.892 1.873) 3.050 1.342 ( 2.259 -3.334 2.971) 5.005 1.462 ( -0.392 -2.983 2.678) 4.028 1.472 ( -2.042 0.832 4.000) 4.568 1.511 ( -2.435 -0.983 4.694) 5.378 1.627 ( 0.179 4.787 -1.366) 4.981 1.647 ( -3.050 -0.348 -2.234) 3.797 1.710 ( 0.497 -1.817 -0.649) 1.992 1.738 ( 0.912 -0.958 -0.925) 1.614 1.811 ( 1.585 -0.806 1.603) 2.395 1.832 ( -3.295 -0.162 0.342) 3.317 1.917 ( -0.310 -3.507 -1.052) 3.674 1.941 ( -0.534 4.506 1.686) 4.840 1.985 ( 3.304 2.634 1.000) 4.342 2.049 ( 0.447 1.090 0.742) 1.392 2.071 ( 1.195 0.531 -0.754) 1.510 2.112 ( -2.212 0.942 -3.925) 4.603 2.180 ( -0.574 -2.630 -0.715) 2.785 2.185 ( -0.942 -0.381 -0.022) 1.017 2.271 ( -1.224 1.209 1.559) 2.322 2.331 ( 1.523 -2.949 -1.409) 3.606 2.352 ( 0.647 -1.153 -2.871) 3.161 2.395 ( -1.007 -5.425 -2.555) 6.080 2.425 ( 1.151 -3.495 0.202) 3.685 2.478 ( -1.021 -1.388 0.577) 1.817 2.528 ( 1.712 -2.112 -3.651) 4.552 2.604 ( -0.287 0.058 -0.790) 0.842 2.696 ( -1.993 3.541 -1.548) 4.349 2.726 ( -0.425 -1.690 -2.865) 3.354 2.787 ( -0.816 0.700 1.647) 1.967 2.929 ( -2.662 2.783 -3.413) 5.146 2.969 ( -0.173 -1.643 -3.800) 4.144 3.017 ( -5.633 3.955 -0.763) 6.925 3.131 ( -3.953 5.587 -1.478) 7.002 3.202 ( 4.503 4.082 2.065) 6.419 3.263 ( 1.759 1.870 -1.085) 2.787 3.342 ( 2.274 1.097 -1.779) 3.088 3.423 ( -5.453 -0.359 -0.420) 5.481 3.501 ( 0.548 1.543 -4.673) 4.951 3.580 ( 0.034 0.131 -0.065) 0.150 3.662 ( 2.583 -0.899 -0.149) 2.739 3.690 ( 4.473 -0.163 -1.511) 4.724 3.822 ( -1.221 1.554 -2.259) 3.002 3.896 ( -1.160 -1.225 -3.121) 3.548 4.030 ( -3.208 0.805 0.917) 3.432 4.172 ( 0.897 -2.507 0.740) 2.764 4.221 ( 1.697 -0.783 -0.882) 2.067 4.264 ( 1.395 0.515 -1.560) 2.155 4.416 ( 0.350 -0.103 1.440) 1.485 4.442 ( 1.407 -0.592 0.882) 1.763 4.525 ( -3.098 2.407 0.529) 3.958 4.618 ( 2.233 -1.247 -2.379) 3.493 4.696 ( -2.416 3.877 -2.611) 5.262 4.737 ( 1.407 -0.151 1.389) 1.983 4.864 ( -1.818 2.148 2.474) 3.747 5.068 ( 1.653 -6.210 -3.574) 7.353 5.130 ( 1.455 2.679 0.166) 3.054 5.201 ( 0.964 -0.180 -1.033) 1.425 5.322 ( -0.068 2.645 0.049) 2.647 5.431 ( -4.062 -3.807 1.568) 5.784 5.558 ( -0.606 1.177 -1.066) 1.700 5.647 ( 4.471 -5.255 1.949) 7.170 6.531 ( 0.951 -3.410 1.910) 4.022 6.582 ( 4.510 -6.356 3.112) 8.392 6.711 ( 2.405 0.244 1.715) 2.964 6.761 ( 3.439 -1.387 1.551) 4.019 8.231 ( 0.535 3.421 3.652) 5.032 8.454 ( 0.710 -6.611 1.233) 6.762 8.683 ( -0.181 7.736 -6.154) 9.887 8.827 ( -0.684 -0.165 -5.149) 5.196 8.932 ( 3.331 6.376 -3.349) 7.935 9.009 ( -0.019 4.875 -1.156) 5.010 9.063 ( 2.180 -2.291 -4.562) 5.551 9.202 ( -3.101 -3.065 -2.492) 5.022 9.439 ( -3.559 4.472 4.075) 7.019 9.615 ( -9.515 -3.007 0.772) 10.009 9.647 ( 1.009 -0.209 0.336) 1.084 9.672 ( -1.018 -0.950 0.949) 1.685 ======================= Grid point 42 (20/60) ======================= q-point: ( 0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 1.764 6.371 12.665) 14.287 0.826 ( 9.226 11.306 10.377) 17.906 1.050 ( -4.525 -5.894 1.510) 7.582 1.169 ( 2.189 -3.612 4.593) 6.240 1.211 ( -1.344 0.303 1.970) 2.404 1.310 ( 3.044 0.274 3.079) 4.338 1.371 ( 1.859 -1.355 4.475) 5.032 1.440 ( 1.727 -2.957 3.113) 4.628 1.496 ( 2.659 0.090 1.841) 3.236 1.508 ( -1.554 -2.149 6.183) 6.727 1.567 ( 2.978 -0.745 3.884) 4.951 1.584 ( 1.823 -0.702 4.612) 5.009 1.689 ( -3.277 1.502 -0.265) 3.614 1.705 ( 2.827 0.169 9.830) 10.230 1.724 ( 1.199 1.563 -1.513) 2.484 1.775 ( 3.548 2.995 -0.593) 4.681 1.845 ( -4.291 -0.050 3.174) 5.337 1.868 ( -3.163 -0.436 0.108) 3.195 1.968 ( 0.125 2.645 -0.198) 2.655 1.991 ( 0.649 4.623 -2.128) 5.131 2.032 ( -2.002 1.127 0.171) 2.303 2.061 ( -0.638 -1.477 0.016) 1.609 2.112 ( -0.520 -0.699 4.559) 4.641 2.158 ( -1.964 -0.527 -1.747) 2.681 2.185 ( 0.612 -0.852 1.110) 1.528 2.254 ( -1.731 -1.843 -3.766) 4.536 2.264 ( -1.661 -1.019 -2.116) 2.877 2.354 ( 2.362 2.138 -1.023) 3.346 2.382 ( 0.057 0.203 -4.177) 4.182 2.444 ( -1.245 -1.273 0.659) 1.899 2.499 ( 4.229 -8.233 3.605) 9.933 2.524 ( -2.212 -0.178 -1.382) 2.614 2.586 ( 1.648 -1.649 0.304) 2.351 2.664 ( -0.213 3.029 -0.090) 3.038 2.712 ( -0.008 -1.627 0.208) 1.640 2.775 ( -1.273 -0.278 -0.753) 1.504 2.846 ( -2.666 0.990 -4.093) 4.984 2.907 ( -5.207 -2.655 -3.100) 6.616 2.957 ( 2.119 -2.263 -3.988) 5.051 3.052 ( -0.910 1.414 -2.708) 3.188 3.206 ( -5.483 5.208 -1.612) 7.732 3.255 ( -1.721 1.702 0.057) 2.421 3.346 ( -1.600 0.003 0.007) 1.600 3.381 ( 3.290 3.745 -1.468) 5.197 3.474 ( 0.555 3.220 -1.207) 3.484 3.553 ( -1.996 -1.369 -0.858) 2.568 3.651 ( -1.828 0.316 -1.851) 2.620 3.751 ( 1.649 -0.119 -3.093) 3.507 3.760 ( -2.778 3.036 -0.677) 4.170 3.858 ( -0.404 -0.616 -1.730) 1.880 3.992 ( -1.253 0.699 -0.090) 1.437 4.158 ( -0.049 -5.188 -0.788) 5.248 4.264 ( -0.294 1.970 -0.201) 2.001 4.319 ( 4.760 -0.497 -1.164) 4.926 4.440 ( 0.621 1.019 1.742) 2.112 4.485 ( 2.071 -0.422 0.209) 2.124 4.515 ( 1.177 1.403 -0.072) 1.832 4.640 ( 1.738 -2.327 -1.598) 3.315 4.669 ( 1.054 4.712 -0.965) 4.924 4.787 ( 1.497 -1.442 2.242) 3.057 4.852 ( -1.908 1.939 2.380) 3.615 5.050 ( -0.252 -6.144 -2.587) 6.671 5.154 ( 0.396 2.036 0.839) 2.237 5.213 ( 1.932 0.467 -1.806) 2.686 5.310 ( -1.205 2.116 0.161) 2.440 5.358 ( -2.874 -1.760 -0.250) 3.380 5.539 ( 0.187 2.593 -2.132) 3.362 5.654 ( -1.644 -2.603 -2.090) 3.721 6.529 ( -1.348 -1.582 0.342) 2.106 6.621 ( -0.224 -2.286 0.017) 2.297 6.720 ( -0.219 0.127 -0.153) 0.296 6.870 ( 0.831 -9.376 2.816) 9.825 8.352 ( 6.728 0.405 3.582) 7.633 8.481 ( 0.942 -4.166 0.679) 4.325 8.631 ( -0.194 4.866 -3.938) 6.263 8.761 ( -1.495 -1.118 -5.288) 5.608 8.931 ( -0.334 6.198 -1.505) 6.387 8.983 ( -1.590 2.384 -0.612) 2.930 9.076 ( 2.224 -0.538 -3.529) 4.206 9.128 ( -1.199 -0.644 -2.358) 2.722 9.386 ( -5.100 2.355 4.530) 7.217 9.437 ( -7.897 0.660 2.476) 8.302 9.662 ( 0.014 0.064 0.615) 0.619 9.684 ( 0.381 -0.499 1.042) 1.216 ======================= Grid point 43 (21/60) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 7.328 -0.173 6.566) 9.841 0.988 ( -2.761 -0.846 2.308) 3.697 1.074 ( 7.487 7.227 5.998) 12.011 1.207 ( -0.706 2.027 2.024) 2.950 1.219 ( -2.536 -2.344 3.312) 4.785 1.351 ( 1.233 -0.726 0.141) 1.438 1.398 ( -0.254 -0.872 3.328) 3.450 1.441 ( -1.201 -0.891 0.537) 1.589 1.495 ( -3.955 1.138 -1.263) 4.305 1.530 ( -2.495 -0.264 -0.558) 2.571 1.571 ( 1.699 2.219 -3.264) 4.297 1.605 ( -1.065 -6.516 -0.251) 6.607 1.678 ( 1.080 0.114 0.404) 1.159 1.707 ( -3.379 0.211 0.534) 3.428 1.760 ( 2.417 -0.962 0.857) 2.739 1.788 ( -4.026 -0.494 2.742) 4.896 1.814 ( 1.802 -1.619 1.145) 2.679 1.919 ( 0.201 -5.070 3.153) 5.974 1.930 ( -2.076 0.922 -3.942) 4.549 1.992 ( -0.700 -0.253 -2.799) 2.896 2.046 ( -3.707 0.536 -0.611) 3.795 2.101 ( -1.702 0.092 -0.845) 1.902 2.122 ( -0.084 1.845 2.276) 2.931 2.155 ( 2.141 2.853 2.616) 4.423 2.179 ( 4.307 2.431 4.428) 6.639 2.211 ( 3.386 3.019 6.232) 7.709 2.292 ( -0.340 -0.086 1.998) 2.029 2.345 ( -1.198 -1.090 -1.001) 1.904 2.364 ( -3.465 2.357 -1.337) 4.399 2.408 ( -0.169 -3.547 -2.270) 4.214 2.494 ( 0.703 0.247 -0.966) 1.220 2.573 ( -1.090 2.579 3.201) 4.253 2.619 ( -2.485 -1.661 -2.917) 4.176 2.656 ( 0.774 0.851 0.038) 1.151 2.726 ( 2.342 -2.417 2.110) 3.972 2.772 ( -1.897 -0.003 1.063) 2.175 2.778 ( 4.178 -4.328 9.377) 11.141 2.808 ( -2.616 -1.744 -2.779) 4.196 2.975 ( 1.955 -0.781 -4.341) 4.824 3.029 ( 1.744 -1.153 -4.921) 5.346 3.169 ( -1.286 0.686 2.453) 2.853 3.191 ( -0.996 -0.681 -0.400) 1.271 3.298 ( -2.883 -0.190 -0.483) 2.929 3.410 ( 1.815 0.419 -1.437) 2.352 3.481 ( -4.886 -0.087 0.415) 4.904 3.485 ( -1.583 3.433 -0.838) 3.872 3.596 ( 1.427 4.776 -4.922) 7.005 3.691 ( -1.800 2.318 -3.415) 4.503 3.766 ( 0.826 2.433 0.495) 2.617 3.851 ( 1.484 -0.969 -1.737) 2.481 3.983 ( 0.137 0.883 0.369) 0.967 4.152 ( -0.029 -4.771 -0.845) 4.845 4.252 ( -1.010 3.263 1.001) 3.560 4.377 ( 3.043 -1.360 -1.952) 3.862 4.456 ( -0.144 2.087 -0.061) 2.093 4.506 ( -0.263 -0.047 0.859) 0.900 4.544 ( 1.530 -1.110 0.497) 1.955 4.654 ( -0.201 -4.109 0.787) 4.188 4.709 ( 3.115 3.681 -0.825) 4.892 4.818 ( 0.971 0.148 0.659) 1.182 4.841 ( -0.662 1.305 0.803) 1.669 5.026 ( -0.726 -5.173 -0.321) 5.233 5.157 ( -0.748 2.105 0.760) 2.360 5.239 ( 2.167 0.014 -1.634) 2.714 5.280 ( -1.849 1.571 -0.320) 2.447 5.335 ( 0.736 -0.738 -2.010) 2.265 5.534 ( 0.659 2.214 -1.132) 2.573 5.592 ( -1.958 -0.199 -2.734) 3.369 6.497 ( -1.433 0.441 -0.185) 1.510 6.606 ( -0.713 -2.112 -1.020) 2.451 6.720 ( 0.583 0.170 -0.767) 0.978 6.852 ( -3.437 -5.475 1.352) 6.604 8.464 ( 1.499 -0.797 1.059) 2.001 8.509 ( 1.640 -2.927 0.624) 3.413 8.624 ( 2.276 0.945 -1.295) 2.784 8.691 ( -1.455 -1.750 -3.411) 4.101 8.920 ( -0.884 2.962 -0.342) 3.110 8.943 ( -0.814 4.056 -0.691) 4.194 9.085 ( 1.897 0.666 -3.744) 4.250 9.124 ( 2.320 -0.213 -1.999) 3.070 9.338 ( -4.044 0.518 5.355) 6.730 9.354 ( -4.013 0.561 4.028) 5.713 9.660 ( -0.581 0.504 0.584) 0.966 9.694 ( -0.345 -0.802 1.049) 1.365 ======================= Grid point 44 (22/60) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -3.898 -1.202 0.660) 4.132 0.995 ( -0.896 -2.003 3.959) 4.526 1.141 ( -1.390 1.045 3.082) 3.539 1.171 ( -3.312 0.599 -1.154) 3.558 1.202 ( -5.077 1.650 2.090) 5.733 1.282 ( -2.658 1.742 0.156) 3.182 1.352 ( -4.924 0.320 -5.484) 7.377 1.411 ( -1.625 -0.698 -1.450) 2.287 1.484 ( 0.556 2.843 -3.642) 4.653 1.501 ( 1.263 -2.152 2.898) 3.824 1.549 ( -0.737 -2.945 1.146) 3.245 1.613 ( 3.662 2.991 -0.376) 4.744 1.697 ( -0.276 1.276 1.479) 1.973 1.709 ( -2.509 -3.592 2.422) 5.007 1.720 ( 0.288 0.155 2.766) 2.785 1.797 ( -0.548 -0.148 1.721) 1.812 1.875 ( 0.483 -1.773 -0.536) 1.914 1.901 ( -2.005 -3.479 -1.465) 4.274 1.914 ( -1.988 0.072 -1.391) 2.428 1.967 ( -1.189 1.283 -5.144) 5.434 2.007 ( 5.263 -1.854 -0.886) 5.650 2.056 ( -2.728 -0.907 -2.543) 3.838 2.066 ( -6.509 1.802 2.031) 7.052 2.164 ( -2.454 2.224 2.037) 3.888 2.191 ( -0.379 1.609 -0.565) 1.747 2.206 ( -0.919 4.297 1.347) 4.595 2.238 ( 0.628 -2.344 -2.610) 3.564 2.302 ( 1.399 3.906 0.460) 4.175 2.410 ( -0.131 -0.488 1.658) 1.733 2.456 ( 2.363 -0.706 0.779) 2.586 2.501 ( 0.076 -3.289 2.294) 4.011 2.564 ( 1.153 -1.909 -1.779) 2.853 2.659 ( 0.734 -0.496 -0.065) 0.889 2.692 ( -4.738 -6.460 0.574) 8.032 2.729 ( -0.361 0.325 3.128) 3.166 2.770 ( 0.692 0.076 2.711) 2.799 2.828 ( 4.598 1.822 8.140) 9.525 2.943 ( 1.525 -1.034 5.888) 6.169 2.995 ( 5.301 0.711 3.663) 6.483 3.069 ( 5.322 -0.603 -4.734) 7.149 3.131 ( 0.405 2.444 -1.007) 2.674 3.229 ( -4.263 0.973 0.656) 4.422 3.249 ( 3.388 -3.749 -1.284) 5.213 3.363 ( -5.824 -3.093 2.617) 7.094 3.428 ( 0.266 2.278 -3.473) 4.162 3.484 ( 3.745 0.816 0.263) 3.842 3.609 ( 1.287 4.065 -4.052) 5.882 3.629 ( -0.036 3.391 -3.887) 5.158 3.798 ( 1.096 3.704 2.403) 4.549 3.886 ( 3.153 -1.016 -1.286) 3.553 4.001 ( 0.647 0.444 1.867) 2.025 4.146 ( 0.392 -4.287 -0.978) 4.414 4.250 ( -0.129 4.248 1.195) 4.414 4.407 ( 1.315 -0.483 -1.488) 2.043 4.435 ( -0.733 1.377 -1.858) 2.426 4.502 ( -0.638 0.186 0.441) 0.798 4.585 ( 1.468 -0.945 2.353) 2.930 4.638 ( -2.059 -3.192 1.023) 3.934 4.749 ( 1.842 0.197 -1.613) 2.457 4.822 ( -1.453 -0.910 -0.086) 1.717 4.862 ( 2.507 3.078 1.448) 4.225 5.027 ( 0.103 -3.698 2.268) 4.339 5.142 ( -0.937 2.033 -0.543) 2.303 5.233 ( -1.615 2.284 -2.040) 3.463 5.256 ( 0.343 -0.892 -2.218) 2.415 5.337 ( 2.364 -1.092 -3.746) 4.563 5.517 ( -1.195 0.898 -1.591) 2.183 5.569 ( 0.519 0.498 0.360) 0.804 6.490 ( 0.663 0.813 0.224) 1.073 6.576 ( -0.947 -2.386 -2.383) 3.503 6.725 ( 0.802 -0.004 -1.166) 1.415 6.785 ( -3.742 -2.532 -0.209) 4.523 8.470 ( -1.123 -1.620 -0.100) 1.973 8.497 ( -1.867 -3.337 -1.374) 4.063 8.666 ( 1.364 0.434 -0.225) 1.449 8.696 ( 4.066 -0.622 -0.019) 4.114 8.884 ( -0.369 4.301 -2.634) 5.057 8.945 ( 0.560 2.354 -0.639) 2.503 9.092 ( 2.100 1.577 -3.437) 4.325 9.169 ( 3.791 -0.568 -1.788) 4.230 9.334 ( -2.387 -0.008 6.700) 7.113 9.344 ( -1.244 -0.457 7.627) 7.742 9.653 ( -0.529 0.625 0.449) 0.934 9.687 ( -1.091 -0.702 0.449) 1.373 ======================= Grid point 45 (23/60) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -14.099 2.639 0.984) 14.377 0.877 ( -16.808 6.399 -3.105) 18.251 1.036 ( -0.141 -6.604 3.620) 7.532 1.142 ( -4.765 -2.619 3.526) 6.481 1.180 ( -0.635 2.989 -0.535) 3.102 1.232 ( -1.798 -1.046 0.361) 2.111 1.296 ( -2.304 -0.183 -0.776) 2.438 1.358 ( -1.777 -4.538 -1.726) 5.170 1.464 ( -5.330 0.799 3.054) 6.195 1.495 ( -1.082 2.461 0.299) 2.705 1.564 ( -0.590 4.199 -1.025) 4.362 1.581 ( -6.804 0.660 3.924) 7.882 1.643 ( 1.675 1.789 -0.111) 2.453 1.688 ( -3.647 -0.094 2.032) 4.176 1.773 ( -0.414 -2.979 0.752) 3.100 1.789 ( -0.071 3.984 -2.419) 4.661 1.829 ( 3.008 1.630 1.256) 3.645 1.858 ( 3.197 0.242 1.767) 3.661 1.944 ( 1.651 -1.297 -1.078) 2.360 1.964 ( 0.096 0.025 1.597) 1.600 2.000 ( 0.129 -2.010 -0.209) 2.025 2.075 ( 0.062 -0.064 1.114) 1.118 2.099 ( 0.753 0.493 -0.268) 0.939 2.137 ( 1.890 -1.086 0.673) 2.281 2.200 ( 2.534 -2.072 -1.851) 3.761 2.245 ( 2.352 0.002 0.268) 2.367 2.255 ( 3.624 2.842 0.564) 4.640 2.330 ( -0.402 -0.510 -1.590) 1.717 2.430 ( 3.215 -0.170 0.386) 3.243 2.465 ( -1.664 4.474 -3.765) 6.079 2.512 ( -1.088 -3.779 2.058) 4.438 2.549 ( -5.916 -7.318 0.964) 9.459 2.582 ( 0.985 -5.527 0.738) 5.662 2.684 ( 2.147 -3.299 -1.539) 4.227 2.733 ( -1.528 1.781 1.615) 2.849 2.809 ( 0.213 -1.046 2.478) 2.698 2.930 ( 2.618 3.646 2.977) 5.386 3.009 ( -0.198 1.658 1.574) 2.295 3.089 ( -0.787 -1.863 -2.412) 3.148 3.093 ( 1.451 -0.678 -1.061) 1.922 3.199 ( 2.925 1.572 3.520) 4.839 3.226 ( 4.434 3.238 3.997) 6.791 3.259 ( 0.783 -1.642 -2.903) 3.426 3.343 ( 1.136 -1.576 2.644) 3.281 3.438 ( 3.249 1.935 -2.958) 4.801 3.553 ( 2.679 -1.867 -1.588) 3.631 3.578 ( 0.546 4.340 -0.828) 4.452 3.633 ( 1.788 1.997 -2.911) 3.957 3.838 ( 1.001 3.252 1.436) 3.693 3.931 ( 2.055 -1.163 -0.795) 2.492 4.034 ( 0.578 0.162 2.740) 2.805 4.152 ( 1.022 -3.739 -1.034) 4.012 4.260 ( 0.153 5.454 0.512) 5.480 4.377 ( -2.272 2.959 -1.707) 4.103 4.424 ( 0.316 -1.313 -1.372) 1.925 4.485 ( -1.154 0.069 -1.072) 1.577 4.606 ( -0.870 -1.965 -0.785) 2.288 4.625 ( -0.375 -2.471 2.581) 3.593 4.741 ( -1.070 0.047 -1.510) 1.851 4.805 ( -0.783 -1.565 1.510) 2.312 4.938 ( 3.421 2.108 3.433) 5.285 5.065 ( 0.896 -2.615 2.996) 4.077 5.114 ( 0.078 0.160 -2.641) 2.647 5.179 ( -3.276 -1.479 -6.119) 7.096 5.220 ( 1.017 1.989 -1.640) 2.771 5.361 ( 3.127 0.725 -4.062) 5.177 5.497 ( -0.955 0.860 2.504) 2.815 5.580 ( -0.200 -0.681 0.643) 0.958 6.505 ( -0.481 -0.995 -1.864) 2.167 6.534 ( -0.146 -1.058 -1.733) 2.035 6.715 ( -2.584 0.047 -1.158) 2.832 6.732 ( 0.708 -0.280 -0.714) 1.044 8.394 ( -5.030 -3.219 -1.395) 6.132 8.466 ( -1.103 -4.505 -0.528) 4.668 8.712 ( 2.195 4.552 0.081) 5.055 8.770 ( 5.181 3.391 -2.238) 6.584 8.880 ( 1.195 1.198 -0.969) 1.950 8.946 ( 1.478 1.113 -3.012) 3.534 9.100 ( 1.967 2.651 -4.361) 5.469 9.226 ( 3.340 -1.305 -1.572) 3.916 9.364 ( -0.824 1.103 8.288) 8.401 9.440 ( 2.480 -1.724 11.510) 11.899 9.652 ( -0.069 0.262 0.816) 0.859 9.665 ( -1.017 -0.294 -0.306) 1.102 ======================= Grid point 46 (24/60) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -7.374 12.275 9.260) 17.053 0.601 ( -12.020 11.045 8.977) 18.630 1.042 ( -2.706 -6.167 2.764) 7.280 1.051 ( -10.677 4.730 8.603) 14.504 1.087 ( -9.090 -0.474 11.116) 14.368 1.238 ( 0.032 0.219 0.918) 0.945 1.252 ( 2.892 0.724 -0.917) 3.119 1.300 ( -1.312 -1.900 -1.652) 2.839 1.444 ( 0.572 -2.347 2.649) 3.585 1.499 ( -3.793 -0.245 4.130) 5.613 1.513 ( 0.384 -0.606 1.833) 1.968 1.632 ( -1.089 1.971 0.091) 2.254 1.663 ( 2.578 2.081 0.273) 3.324 1.674 ( 2.451 -0.474 2.383) 3.451 1.733 ( -1.093 -3.293 -2.249) 4.135 1.797 ( 1.201 2.968 -1.284) 3.450 1.878 ( -1.356 -0.643 0.808) 1.705 1.921 ( 0.392 -2.014 -2.229) 3.030 1.941 ( -0.242 1.755 1.237) 2.161 1.965 ( 2.207 3.087 0.722) 3.863 2.021 ( -1.682 2.135 -0.155) 2.723 2.053 ( 1.444 -0.914 -0.013) 1.709 2.125 ( 1.165 -0.711 0.210) 1.381 2.188 ( 0.695 -4.987 -1.455) 5.241 2.214 ( 0.963 -1.013 0.011) 1.398 2.288 ( -2.106 -4.677 2.415) 5.669 2.317 ( 4.356 -0.450 -0.124) 4.381 2.350 ( -2.216 1.956 -4.602) 5.470 2.383 ( 4.190 0.226 0.923) 4.296 2.437 ( -2.297 -1.113 -1.952) 3.213 2.469 ( -0.828 -4.230 -1.482) 4.558 2.561 ( 2.267 -0.092 -0.048) 2.270 2.596 ( -0.190 -4.741 -1.371) 4.939 2.697 ( 2.680 0.712 -2.619) 3.814 2.740 ( -0.107 0.479 0.875) 1.004 2.806 ( -2.394 -1.082 2.465) 3.603 2.973 ( -0.248 3.424 -0.402) 3.457 3.003 ( -0.971 0.103 -0.227) 1.003 3.063 ( 1.105 3.483 -0.496) 3.688 3.116 ( 1.374 0.647 1.955) 2.475 3.200 ( -1.353 2.307 -2.612) 3.738 3.292 ( 3.136 -0.860 -0.911) 3.377 3.313 ( -0.389 0.186 -1.897) 1.946 3.409 ( 3.748 -0.160 3.843) 5.370 3.495 ( 4.803 1.642 -4.530) 6.803 3.580 ( -1.048 2.653 -0.179) 2.858 3.591 ( 3.701 -1.559 -1.461) 4.274 3.646 ( 2.153 0.546 -2.203) 3.128 3.850 ( -0.104 2.337 -1.001) 2.545 3.937 ( -0.316 -1.194 -2.106) 2.442 4.065 ( -0.121 0.332 2.796) 2.818 4.150 ( -0.670 -1.054 -1.468) 1.928 4.256 ( 0.181 4.298 -2.127) 4.799 4.300 ( -4.138 0.188 -1.525) 4.414 4.415 ( -0.443 -0.599 -0.213) 0.775 4.440 ( -1.441 -0.457 -1.364) 2.037 4.594 ( -1.874 -2.896 0.549) 3.493 4.605 ( -0.880 -2.620 -0.697) 2.850 4.717 ( -0.258 0.944 -0.153) 0.991 4.791 ( -2.725 -2.115 0.216) 3.456 4.953 ( -6.783 0.881 -10.083) 12.184 5.032 ( 4.250 -2.134 -1.065) 4.873 5.105 ( 1.262 0.471 -0.998) 1.676 5.168 ( 2.719 -1.173 1.519) 3.328 5.285 ( 2.958 2.051 5.067) 6.215 5.407 ( 4.114 0.452 2.989) 5.105 5.513 ( 0.130 0.519 3.817) 3.854 5.574 ( -0.681 -0.314 0.262) 0.794 6.449 ( -0.698 1.326 -0.168) 1.508 6.543 ( 0.300 -2.704 0.339) 2.742 6.680 ( -0.142 2.559 -0.561) 2.624 6.741 ( 0.433 -0.524 0.165) 0.699 8.280 ( -5.820 -1.274 0.382) 5.970 8.446 ( -0.609 -6.411 0.235) 6.444 8.722 ( 1.369 8.196 -5.183) 9.793 8.859 ( 4.737 6.228 -3.514) 8.578 8.879 ( 0.363 -1.428 -0.918) 1.736 8.975 ( 3.688 1.222 -2.045) 4.391 9.086 ( 0.994 2.083 -5.606) 6.063 9.250 ( 0.306 -3.196 -1.979) 3.771 9.429 ( -0.137 3.885 6.664) 7.715 9.599 ( 3.591 -2.577 5.328) 6.922 9.651 ( -0.019 -0.019 -0.380) 0.381 9.681 ( 1.059 -3.389 5.407) 6.469 ======================= Grid point 47 (25/60) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -1.202 -7.051 8.731) 11.287 0.839 ( -1.202 7.051 8.731) 11.287 0.886 ( 0.733 -7.308 9.851) 12.287 0.886 ( 0.733 7.308 9.851) 12.287 1.254 ( 0.841 -2.512 0.784) 2.763 1.254 ( 0.841 2.512 0.784) 2.763 1.298 ( 0.596 -1.405 5.126) 5.349 1.298 ( 0.596 1.405 5.126) 5.349 1.467 ( -2.045 -3.044 5.542) 6.645 1.467 ( -2.045 3.044 5.542) 6.645 1.575 ( 1.251 -10.262 5.670) 11.791 1.575 ( 1.251 10.262 5.670) 11.791 1.674 ( -2.820 -3.139 0.428) 4.242 1.674 ( -2.820 3.139 0.428) 4.242 1.727 ( 0.528 -1.816 -0.764) 2.039 1.727 ( 0.528 1.816 -0.764) 2.039 1.875 ( -0.326 -2.445 -1.640) 2.962 1.875 ( -0.326 2.445 -1.640) 2.962 2.010 ( 3.161 -3.818 0.090) 4.957 2.010 ( 3.161 3.818 0.090) 4.957 2.071 ( -0.312 -1.536 -0.798) 1.759 2.071 ( -0.312 1.536 -0.798) 1.759 2.099 ( -0.273 -4.242 0.996) 4.366 2.099 ( -0.273 4.242 0.996) 4.366 2.210 ( -0.415 -3.353 1.982) 3.918 2.210 ( -0.415 3.353 1.982) 3.918 2.330 ( -3.905 -2.388 -2.197) 5.077 2.330 ( -3.905 2.388 -2.197) 5.077 2.385 ( 3.374 -2.495 -5.458) 6.884 2.385 ( 3.374 2.495 -5.458) 6.884 2.481 ( 0.796 -1.768 -1.232) 2.297 2.481 ( 0.796 1.768 -1.232) 2.297 2.657 ( 0.391 -4.292 -1.027) 4.431 2.657 ( 0.391 4.292 -1.027) 4.431 2.766 ( -1.677 -2.657 0.362) 3.162 2.766 ( -1.677 2.657 0.362) 3.162 2.944 ( -2.834 -0.356 -1.964) 3.466 2.944 ( -2.834 0.356 -1.964) 3.466 3.132 ( -5.331 -5.289 -4.724) 8.871 3.132 ( -5.331 5.289 -4.724) 8.871 3.246 ( 4.296 -1.816 0.279) 4.673 3.246 ( 4.296 1.816 0.279) 4.673 3.411 ( -0.526 -3.106 1.640) 3.552 3.411 ( -0.526 3.106 1.640) 3.552 3.554 ( 0.050 -2.586 -3.723) 4.533 3.554 ( 0.050 2.586 -3.723) 4.533 3.661 ( 3.824 -1.313 -1.180) 4.212 3.661 ( 3.824 1.313 -1.180) 4.212 3.858 ( -1.202 -2.079 -2.007) 3.130 3.858 ( -1.202 2.079 -2.007) 3.130 4.089 ( -2.845 -4.354 -0.334) 5.211 4.089 ( -2.845 4.354 -0.334) 5.211 4.246 ( 1.887 -1.841 -0.509) 2.685 4.246 ( 1.887 1.841 -0.509) 2.685 4.425 ( 1.099 -0.911 1.234) 1.887 4.425 ( 1.099 0.911 1.234) 1.887 4.579 ( 0.504 -2.629 -0.720) 2.772 4.579 ( 0.504 2.629 -0.720) 2.772 4.736 ( -0.278 -0.386 0.257) 0.540 4.736 ( -0.278 0.386 0.257) 0.540 4.946 ( -0.307 -5.778 -2.223) 6.199 4.946 ( -0.307 5.778 -2.223) 6.199 5.181 ( 1.478 -1.967 -0.203) 2.469 5.181 ( 1.478 1.967 -0.203) 2.469 5.366 ( -1.807 -2.419 1.942) 3.590 5.366 ( -1.807 2.419 1.942) 3.590 5.581 ( 1.425 -1.638 0.855) 2.333 5.581 ( 1.425 1.638 0.855) 2.333 6.506 ( 1.159 -1.271 2.136) 2.743 6.506 ( 1.159 1.271 2.136) 2.743 6.738 ( 0.919 -1.393 0.606) 1.775 6.738 ( 0.919 1.393 0.606) 1.775 8.326 ( 1.078 -5.939 2.587) 6.567 8.326 ( 1.078 5.939 2.587) 6.567 8.786 ( -1.325 -3.432 -4.899) 6.126 8.786 ( -1.325 3.432 -4.899) 6.126 9.006 ( 3.235 -2.905 -2.765) 5.153 9.006 ( 3.235 2.905 -2.765) 5.153 9.127 ( -1.173 -4.829 -3.564) 6.115 9.127 ( -1.173 4.829 -3.564) 6.115 9.532 ( -5.007 -4.683 3.042) 7.500 9.532 ( -5.007 4.683 3.042) 7.500 9.657 ( 0.489 -0.734 0.269) 0.922 9.657 ( 0.489 0.734 0.269) 0.922 ======================= Grid point 49 (26/60) ======================= q-point: ( 0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -2.396 -11.416 7.732) 13.995 0.857 ( -2.396 11.416 7.732) 13.995 1.042 ( 6.247 -9.362 7.942) 13.775 1.042 ( 6.247 9.362 7.942) 13.775 1.266 ( 0.418 -4.465 0.732) 4.544 1.266 ( 0.418 4.465 0.732) 4.544 1.386 ( 1.887 -2.333 2.605) 3.973 1.386 ( 1.887 2.333 2.605) 3.973 1.476 ( -0.482 -0.421 5.329) 5.367 1.476 ( -0.482 0.421 5.329) 5.367 1.570 ( -0.239 -0.257 -2.963) 2.984 1.570 ( -0.239 0.257 -2.963) 2.984 1.724 ( 1.034 -1.397 -1.853) 2.540 1.724 ( 1.034 1.397 -1.853) 2.540 1.794 ( 1.866 -5.301 10.618) 12.014 1.794 ( 1.866 5.301 10.618) 12.014 1.835 ( -3.445 -2.456 0.721) 4.292 1.835 ( -3.445 2.456 0.721) 4.292 2.021 ( -1.853 -0.640 2.470) 3.153 2.021 ( -1.853 0.640 2.470) 3.153 2.050 ( 0.865 -2.231 -3.132) 3.941 2.050 ( 0.865 2.231 -3.132) 3.941 2.125 ( 1.499 -4.543 1.815) 5.117 2.125 ( 1.499 4.543 1.815) 5.117 2.205 ( -1.162 -3.984 -1.943) 4.583 2.205 ( -1.162 3.984 -1.943) 4.583 2.283 ( 1.953 -3.630 3.690) 5.533 2.283 ( 1.953 3.630 3.690) 5.533 2.397 ( 0.251 -1.105 -3.628) 3.801 2.397 ( 0.251 1.105 -3.628) 3.801 2.475 ( -0.877 -3.668 0.376) 3.790 2.475 ( -0.877 3.668 0.376) 3.790 2.639 ( 0.018 -4.905 -0.685) 4.953 2.639 ( 0.018 4.905 -0.685) 4.953 2.745 ( -0.541 -3.009 -0.546) 3.106 2.745 ( -0.541 3.009 -0.546) 3.106 2.866 ( -2.970 -1.014 -4.520) 5.503 2.866 ( -2.970 1.014 -4.520) 5.503 2.997 ( -3.296 -5.270 -3.295) 7.035 2.997 ( -3.296 5.270 -3.295) 7.035 3.264 ( -2.733 -0.881 -0.854) 2.996 3.264 ( -2.733 0.881 -0.854) 2.996 3.390 ( -1.261 -3.236 -0.625) 3.529 3.390 ( -1.261 3.236 -0.625) 3.529 3.531 ( -0.112 -1.181 -1.152) 1.654 3.531 ( -0.112 1.181 -1.152) 1.654 3.698 ( 2.405 -4.074 -3.586) 5.936 3.698 ( 2.405 4.074 -3.586) 5.936 3.824 ( -1.637 -2.848 -0.512) 3.325 3.824 ( -1.637 2.848 -0.512) 3.325 4.050 ( -0.794 -4.791 -0.463) 4.879 4.050 ( -0.794 4.791 -0.463) 4.879 4.300 ( 2.985 -1.340 -1.156) 3.470 4.300 ( 2.985 1.340 -1.156) 3.470 4.465 ( 1.578 -1.351 1.307) 2.454 4.465 ( 1.578 1.351 1.307) 2.454 4.574 ( -0.365 -3.789 -0.409) 3.829 4.574 ( -0.365 3.789 -0.409) 3.829 4.749 ( 1.117 -2.700 0.601) 2.983 4.749 ( 1.117 2.700 0.601) 2.983 4.927 ( -0.344 -5.658 -0.809) 5.726 4.927 ( -0.344 5.658 -0.809) 5.726 5.198 ( 0.556 -1.976 0.017) 2.053 5.198 ( 0.556 1.976 0.017) 2.053 5.336 ( -1.593 -0.838 0.098) 1.803 5.336 ( -1.593 0.838 0.098) 1.803 5.595 ( 0.236 -3.016 -1.428) 3.345 5.595 ( 0.236 3.016 -1.428) 3.345 6.538 ( -0.038 -3.080 1.733) 3.534 6.538 ( -0.038 3.080 1.733) 3.534 6.759 ( 0.332 -3.239 0.753) 3.342 6.759 ( 0.332 3.239 0.753) 3.342 8.398 ( 3.176 -3.711 3.105) 5.788 8.398 ( 3.176 3.711 3.105) 5.788 8.710 ( -1.959 -3.315 -4.872) 6.210 8.710 ( -1.959 3.315 -4.872) 6.210 9.002 ( -0.658 -1.422 -2.771) 3.184 9.002 ( -0.658 1.422 -2.771) 3.184 9.098 ( 1.041 -2.303 -2.466) 3.531 9.098 ( 1.041 2.303 -2.466) 3.531 9.431 ( -6.636 -1.537 2.796) 7.363 9.431 ( -6.636 1.537 2.796) 7.363 9.670 ( 0.247 -0.724 0.732) 1.058 9.670 ( 0.247 0.724 0.732) 1.058 ======================= Grid point 51 (27/60) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 1.360 -5.233 5.363) 7.615 0.910 ( 1.360 5.233 5.363) 7.615 1.179 ( 0.458 -2.682 4.761) 5.484 1.179 ( 0.458 2.682 4.761) 5.484 1.291 ( 1.134 -5.190 0.761) 5.367 1.291 ( 1.134 5.190 0.761) 5.367 1.413 ( 1.283 -3.996 2.215) 4.746 1.413 ( 1.283 3.996 2.215) 4.746 1.510 ( -2.685 -2.584 0.803) 3.812 1.510 ( -2.685 2.584 0.803) 3.812 1.559 ( 2.088 -1.809 -2.769) 3.911 1.559 ( 2.088 1.809 -2.769) 3.911 1.706 ( -0.269 -2.715 -2.930) 4.004 1.706 ( -0.269 2.715 -2.930) 4.004 1.761 ( -4.468 -0.974 2.779) 5.351 1.761 ( -4.468 0.974 2.779) 5.351 1.826 ( 0.758 -2.727 2.729) 3.932 1.826 ( 0.758 2.727 2.729) 3.932 1.959 ( -2.911 -2.035 -4.043) 5.382 1.959 ( -2.911 2.035 -4.043) 5.382 2.077 ( -2.644 -1.987 -0.501) 3.345 2.077 ( -2.644 1.987 -0.501) 3.345 2.165 ( 2.781 -1.474 0.216) 3.155 2.165 ( 2.781 1.474 0.216) 3.155 2.229 ( 2.789 -2.297 3.817) 5.256 2.229 ( 2.789 2.297 3.817) 5.256 2.319 ( -2.804 -3.239 -0.221) 4.290 2.319 ( -2.804 3.239 -0.221) 4.290 2.387 ( -0.056 -4.549 0.280) 4.558 2.387 ( -0.056 4.549 0.280) 4.558 2.524 ( 3.305 -7.764 4.890) 9.753 2.524 ( 3.305 7.764 4.890) 9.753 2.646 ( -0.293 -2.115 0.530) 2.200 2.646 ( -0.293 2.115 0.530) 2.200 2.717 ( -1.153 -2.214 1.808) 3.083 2.717 ( -1.153 2.214 1.808) 3.083 2.779 ( -2.110 -1.209 1.393) 2.803 2.779 ( -2.110 1.209 1.393) 2.803 2.977 ( 4.394 -2.198 -5.310) 7.234 2.977 ( 4.394 2.198 -5.310) 7.234 3.188 ( -3.175 -1.046 -0.326) 3.358 3.188 ( -3.175 1.046 -0.326) 3.358 3.351 ( -2.705 -4.420 0.293) 5.190 3.351 ( -2.705 4.420 0.293) 5.190 3.508 ( -1.778 -1.115 -1.007) 2.328 3.508 ( -1.778 1.115 -1.007) 2.328 3.692 ( 1.395 -3.329 -5.960) 6.968 3.692 ( 1.395 3.329 -5.960) 6.968 3.816 ( 1.106 -2.820 0.748) 3.120 3.816 ( 1.106 2.820 0.748) 3.120 4.039 ( -0.456 -4.827 0.553) 4.880 4.039 ( -0.456 4.827 0.553) 4.880 4.328 ( 1.609 -3.204 -1.595) 3.925 4.328 ( 1.609 3.204 -1.595) 3.925 4.496 ( 0.650 -1.299 0.203) 1.466 4.496 ( 0.650 1.299 0.203) 1.466 4.567 ( -0.513 -3.682 1.291) 3.935 4.567 ( -0.513 3.682 1.291) 3.935 4.777 ( 0.954 -3.025 0.340) 3.190 4.777 ( 0.954 3.025 0.340) 3.190 4.921 ( 0.387 -5.197 -0.300) 5.220 4.921 ( 0.387 5.197 -0.300) 5.220 5.206 ( -0.010 -2.656 0.694) 2.745 5.206 ( -0.010 2.656 0.694) 2.745 5.314 ( -0.278 -1.595 -1.462) 2.181 5.314 ( -0.278 1.595 -1.462) 2.181 5.576 ( -0.136 -1.625 -2.643) 3.106 5.576 ( -0.136 1.625 -2.643) 3.106 6.536 ( -0.897 -3.568 0.527) 3.716 6.536 ( -0.897 3.568 0.527) 3.716 6.758 ( -0.722 -3.536 0.165) 3.613 6.758 ( -0.722 3.536 0.165) 3.613 8.467 ( 1.244 -1.208 1.317) 2.178 8.467 ( 1.244 1.208 1.317) 2.178 8.651 ( -0.267 -1.867 -2.141) 2.853 8.651 ( -0.267 1.867 -2.141) 2.853 8.970 ( -0.347 -1.301 -1.967) 2.384 8.970 ( -0.347 1.301 -1.967) 2.384 9.109 ( 2.101 -1.348 -2.433) 3.486 9.109 ( 2.101 1.348 -2.433) 3.486 9.353 ( -4.522 -0.653 4.412) 6.352 9.353 ( -4.522 0.653 4.412) 6.352 9.675 ( -0.369 -0.967 0.777) 1.294 9.675 ( -0.369 0.967 0.777) 1.294 ======================= Grid point 53 (28/60) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -2.676 -1.629 2.198) 3.827 0.941 ( -2.676 1.629 2.198) 3.827 1.179 ( -3.328 -0.974 4.694) 5.836 1.179 ( -3.328 0.974 4.694) 5.836 1.272 ( -3.438 -4.771 -2.853) 6.536 1.272 ( -3.438 4.771 -2.853) 6.536 1.359 ( -4.340 -3.088 -3.363) 6.300 1.359 ( -4.340 3.088 -3.363) 6.300 1.496 ( 0.905 -1.251 0.319) 1.577 1.496 ( 0.905 1.251 0.319) 1.577 1.587 ( 0.389 -6.232 -0.332) 6.253 1.587 ( 0.389 6.232 -0.332) 6.253 1.695 ( 1.106 -2.555 2.020) 3.440 1.695 ( 1.106 2.555 2.020) 3.440 1.755 ( 0.361 -3.036 2.583) 4.003 1.755 ( 0.361 3.036 2.583) 4.003 1.845 ( -0.440 -0.363 0.872) 1.042 1.845 ( -0.440 0.363 0.872) 1.042 1.963 ( 4.197 -3.303 -2.391) 5.852 1.963 ( 4.197 3.303 -2.391) 5.852 1.997 ( -1.532 -2.686 -4.006) 5.061 1.997 ( -1.532 2.686 -4.006) 5.061 2.131 ( -5.390 -2.520 -0.672) 5.988 2.131 ( -5.390 2.520 -0.672) 5.988 2.248 ( -0.386 -1.257 0.141) 1.322 2.248 ( -0.386 1.257 0.141) 1.322 2.301 ( 0.319 -3.687 1.177) 3.883 2.301 ( 0.319 3.687 1.177) 3.883 2.423 ( 1.833 -1.612 2.572) 3.546 2.423 ( 1.833 1.612 2.572) 3.546 2.488 ( -4.928 -8.035 -0.543) 9.441 2.488 ( -4.928 8.035 -0.543) 9.441 2.633 ( 0.539 -2.094 -2.640) 3.412 2.633 ( 0.539 2.094 -2.640) 3.412 2.750 ( -0.988 -1.685 2.993) 3.574 2.750 ( -0.988 1.685 2.993) 3.574 2.889 ( 4.170 -3.504 11.349) 12.588 2.889 ( 4.170 3.504 11.349) 12.588 3.039 ( 5.214 -2.452 -3.293) 6.637 3.039 ( 5.214 2.452 -3.293) 6.637 3.179 ( 2.889 -2.977 -0.637) 4.197 3.179 ( 2.889 2.977 -0.637) 4.197 3.288 ( -4.677 -4.158 2.524) 6.748 3.288 ( -4.677 4.158 2.524) 6.748 3.477 ( 0.727 -1.876 -2.053) 2.874 3.477 ( 0.727 1.876 -2.053) 2.874 3.664 ( 0.906 -0.659 -5.481) 5.594 3.664 ( 0.906 0.659 -5.481) 5.594 3.860 ( 2.241 -2.092 0.756) 3.158 3.860 ( 2.241 2.092 0.756) 3.158 4.044 ( 0.023 -4.132 1.736) 4.482 4.044 ( 0.023 4.132 1.736) 4.482 4.348 ( 1.751 -4.202 -1.217) 4.712 4.348 ( 1.751 4.202 -1.217) 4.712 4.488 ( -0.799 -2.219 -1.019) 2.569 4.488 ( -0.799 2.219 -1.019) 2.569 4.579 ( -0.258 -1.361 2.656) 2.996 4.579 ( -0.258 1.361 2.656) 2.996 4.781 ( -0.323 -2.478 -0.610) 2.573 4.781 ( -0.323 2.478 -0.610) 2.573 4.943 ( 1.660 -4.484 1.085) 4.903 4.943 ( 1.660 4.484 1.085) 4.903 5.201 ( -1.209 -3.473 -0.535) 3.716 5.201 ( -1.209 3.473 -0.535) 3.716 5.294 ( 0.220 -3.021 -2.417) 3.875 5.294 ( 0.220 3.021 -2.417) 3.875 5.554 ( 0.051 -1.975 -2.019) 2.825 5.554 ( 0.051 1.975 -2.019) 2.825 6.523 ( -0.629 -2.546 0.009) 2.622 6.523 ( -0.629 2.546 0.009) 2.622 6.740 ( -0.814 -1.639 -0.751) 1.978 6.740 ( -0.814 1.639 -0.751) 1.978 8.456 ( -2.097 -0.568 -0.856) 2.336 8.456 ( -2.097 0.568 -0.856) 2.336 8.679 ( 3.323 -0.862 0.983) 3.571 8.679 ( 3.323 0.862 0.983) 3.571 8.951 ( 0.228 -1.908 -2.877) 3.460 8.951 ( 0.228 1.908 -2.877) 3.460 9.140 ( 3.314 -2.442 -2.508) 4.820 9.140 ( 3.314 2.442 -2.508) 4.820 9.336 ( -2.205 -0.239 7.022) 7.364 9.336 ( -2.205 0.239 7.022) 7.364 9.669 ( -0.746 -0.928 0.451) 1.273 9.669 ( -0.746 0.928 0.451) 1.273 ======================= Grid point 55 (29/60) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -6.222 -8.516 3.483) 11.107 0.865 ( -6.222 8.516 3.483) 11.107 1.028 ( -12.192 -7.402 -0.961) 14.295 1.028 ( -12.192 7.402 -0.961) 14.295 1.232 ( 1.035 -0.572 0.621) 1.336 1.232 ( 1.035 0.572 0.621) 1.336 1.295 ( -1.536 -1.625 -2.033) 3.023 1.295 ( -1.536 1.625 -2.033) 3.023 1.485 ( -2.007 -2.085 1.007) 3.065 1.485 ( -2.007 2.085 1.007) 3.065 1.610 ( 2.411 -2.789 1.015) 3.823 1.610 ( 2.411 2.789 1.015) 3.823 1.675 ( -5.295 -1.767 1.146) 5.698 1.675 ( -5.295 1.767 1.146) 5.698 1.794 ( -0.604 -5.172 3.399) 6.219 1.794 ( -0.604 5.172 3.399) 6.219 1.880 ( 2.697 -2.081 -0.651) 3.468 1.880 ( 2.697 2.081 -0.651) 3.468 1.914 ( 0.066 -4.228 0.711) 4.288 1.914 ( 0.066 4.228 0.711) 4.288 2.034 ( 0.459 -5.252 -2.330) 5.764 2.034 ( 0.459 5.252 -2.330) 5.764 2.094 ( 1.997 -1.540 1.797) 3.097 2.094 ( 1.997 1.540 1.797) 3.097 2.253 ( -1.191 -3.961 0.045) 4.137 2.253 ( -1.191 3.961 0.045) 4.137 2.295 ( -1.022 -3.280 -0.827) 3.534 2.295 ( -1.022 3.280 -0.827) 3.534 2.402 ( 1.276 -1.966 -2.554) 3.466 2.402 ( 1.276 1.966 -2.554) 3.466 2.502 ( 2.142 -1.004 2.948) 3.780 2.502 ( 2.142 1.004 2.948) 3.780 2.597 ( -0.782 -4.958 -3.480) 6.108 2.597 ( -0.782 4.958 -3.480) 6.108 2.780 ( 0.336 -2.193 2.633) 3.443 2.780 ( 0.336 2.193 2.633) 3.443 2.996 ( 1.145 -2.548 4.712) 5.478 2.996 ( 1.145 2.548 4.712) 5.478 3.075 ( 0.123 -1.166 -2.025) 2.340 3.075 ( 0.123 1.166 -2.025) 2.340 3.226 ( 1.490 -1.375 0.903) 2.220 3.226 ( 1.490 1.375 0.903) 2.220 3.298 ( 3.515 -3.060 2.142) 5.129 3.298 ( 3.515 3.060 2.142) 5.129 3.499 ( 2.807 -3.467 -1.928) 4.860 3.499 ( 2.807 3.467 -1.928) 4.860 3.642 ( 0.862 -1.569 -3.520) 3.949 3.642 ( 0.862 1.569 -3.520) 3.949 3.899 ( 1.225 -2.447 0.121) 2.739 3.899 ( 1.225 2.447 0.121) 2.739 4.070 ( 0.771 -3.443 2.303) 4.213 4.070 ( 0.771 3.443 2.303) 4.213 4.360 ( 0.092 -3.828 -1.577) 4.141 4.360 ( 0.092 3.828 -1.577) 4.141 4.460 ( -0.987 -3.198 -1.622) 3.719 4.460 ( -0.987 3.198 -1.622) 3.719 4.584 ( -1.642 -0.619 2.018) 2.674 4.584 ( -1.642 0.619 2.018) 2.674 4.765 ( -0.747 -2.112 -0.175) 2.247 4.765 ( -0.747 2.112 -0.175) 2.247 4.996 ( 2.066 -3.568 1.127) 4.274 4.996 ( 2.066 3.568 1.127) 4.274 5.139 ( -1.671 -2.078 -4.941) 5.615 5.139 ( -1.671 2.078 -4.941) 5.615 5.302 ( 1.107 -4.939 1.447) 5.264 5.302 ( 1.107 4.939 1.447) 5.264 5.546 ( 0.168 -2.709 -0.553) 2.770 5.546 ( 0.168 2.709 -0.553) 2.770 6.508 ( -0.950 -1.123 -0.339) 1.509 6.508 ( -0.950 1.123 -0.339) 1.509 6.722 ( -0.077 -0.571 -1.057) 1.203 6.722 ( -0.077 0.571 -1.057) 1.203 8.392 ( -3.497 -2.416 -0.860) 4.337 8.392 ( -3.497 2.416 -0.860) 4.337 8.773 ( 4.674 -1.824 1.544) 5.249 8.773 ( 4.674 1.824 1.544) 5.249 8.929 ( 1.039 -2.411 -4.632) 5.324 8.929 ( 1.039 2.411 -4.632) 5.324 9.177 ( 2.618 -3.784 -3.440) 5.745 9.177 ( 2.618 3.784 -3.440) 5.745 9.398 ( 1.284 -2.186 9.750) 10.074 9.398 ( 1.284 2.186 9.750) 10.074 9.658 ( -0.548 -0.372 0.058) 0.665 9.658 ( -0.548 0.372 0.058) 0.665 ======================= Grid point 57 (30/60) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -2.807 -12.934 5.325) 14.267 0.812 ( -2.807 12.934 5.325) 14.267 0.846 ( -6.952 -11.252 7.354) 15.133 0.846 ( -6.952 11.252 7.354) 15.133 1.248 ( -0.444 -0.455 0.090) 0.642 1.248 ( -0.444 0.455 0.090) 0.642 1.277 ( -0.184 -2.472 2.077) 3.234 1.277 ( -0.184 2.472 2.077) 3.234 1.461 ( -1.864 -4.509 2.988) 5.721 1.461 ( -1.864 4.509 2.988) 5.721 1.569 ( -4.818 -5.434 3.317) 7.984 1.569 ( -4.818 5.434 3.317) 7.984 1.685 ( 1.191 -1.411 3.256) 3.743 1.685 ( 1.191 1.411 3.256) 3.743 1.772 ( -3.065 -5.445 0.437) 6.264 1.772 ( -3.065 5.445 0.437) 6.264 1.899 ( 0.176 -2.764 -3.106) 4.161 1.899 ( 0.176 2.764 -3.106) 4.161 1.963 ( 1.677 -5.728 -0.014) 5.969 1.963 ( 1.677 5.728 -0.014) 5.969 2.025 ( 3.310 -0.373 -0.280) 3.343 2.025 ( 3.310 0.373 -0.280) 3.343 2.118 ( -1.718 -4.374 -0.166) 4.702 2.118 ( -1.718 4.374 -0.166) 4.702 2.199 ( -0.337 -3.306 0.918) 3.447 2.199 ( -0.337 3.306 0.918) 3.447 2.344 ( 2.670 -1.440 0.096) 3.035 2.344 ( 2.670 1.440 0.096) 3.035 2.410 ( 0.561 -1.300 -3.144) 3.448 2.410 ( 0.561 1.300 -3.144) 3.448 2.504 ( -1.167 -5.084 -3.890) 6.508 2.504 ( -1.167 5.084 -3.890) 6.508 2.615 ( 3.982 -4.843 -0.483) 6.288 2.615 ( 3.982 4.843 -0.483) 6.288 2.787 ( -1.332 -2.071 1.892) 3.105 2.787 ( -1.332 2.071 1.892) 3.105 3.000 ( -2.333 -0.390 0.825) 2.505 3.000 ( -2.333 0.390 0.825) 2.505 3.118 ( 4.784 -2.567 1.267) 5.575 3.118 ( 4.784 2.567 1.267) 5.575 3.242 ( -0.300 -3.211 -1.974) 3.781 3.242 ( -0.300 3.211 -1.974) 3.781 3.376 ( 2.581 -3.809 1.008) 4.710 3.376 ( 2.581 3.809 1.008) 4.710 3.544 ( 4.231 -2.872 -3.006) 5.932 3.544 ( 4.231 2.872 -3.006) 5.932 3.628 ( -0.203 -1.976 -1.390) 2.425 3.628 ( -0.203 1.976 -1.390) 2.425 3.900 ( -0.656 -2.420 -1.541) 2.943 3.900 ( -0.656 2.420 -1.541) 2.943 4.105 ( 0.724 -3.055 1.731) 3.585 4.105 ( 0.724 3.055 1.731) 3.585 4.301 ( -4.468 -1.035 -2.512) 5.229 4.301 ( -4.468 1.035 -2.512) 5.229 4.421 ( -1.120 -1.242 -0.945) 1.921 4.421 ( -1.120 1.242 -0.945) 1.921 4.571 ( -0.019 -1.039 0.370) 1.103 4.571 ( -0.019 1.039 0.370) 1.103 4.750 ( -1.113 -2.193 0.460) 2.502 4.750 ( -1.113 2.193 0.460) 2.502 4.983 ( -0.675 -2.293 -4.680) 5.255 4.983 ( -0.675 2.293 -4.680) 5.255 5.138 ( 2.843 -1.947 0.089) 3.447 5.138 ( 2.843 1.947 0.089) 3.447 5.349 ( 0.707 -4.082 4.040) 5.787 5.349 ( 0.707 4.082 4.040) 5.787 5.551 ( 0.553 -1.940 0.595) 2.103 5.551 ( 0.553 1.940 0.595) 2.103 6.488 ( -0.556 -2.544 0.246) 2.616 6.488 ( -0.556 2.544 0.246) 2.616 6.721 ( 0.592 -1.548 -0.238) 1.674 6.721 ( 0.592 1.548 -0.238) 1.674 8.328 ( -2.483 -4.922 0.567) 5.542 8.328 ( -2.483 4.922 0.567) 5.542 8.831 ( 0.368 -3.571 -1.931) 4.076 8.831 ( 0.368 3.571 -1.931) 4.076 8.944 ( 4.893 -3.209 -3.486) 6.811 8.944 ( 4.893 3.209 -3.486) 6.811 9.172 ( 0.221 -4.698 -3.894) 6.106 9.172 ( 0.221 4.698 -3.894) 6.106 9.516 ( 1.688 -4.748 7.608) 9.125 9.516 ( 1.688 4.748 7.608) 9.125 9.653 ( -0.043 -0.344 -0.019) 0.347 9.653 ( -0.043 0.344 -0.019) 0.347 ======================= Grid point 65 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -1.127 0.000 13.931) 13.976 0.875 ( -4.970 0.000 14.636) 15.457 1.133 ( -1.415 0.000 -1.879) 2.352 1.162 ( 5.054 0.000 0.536) 5.082 1.232 ( 0.384 0.000 -2.369) 2.400 1.367 ( 1.722 0.000 2.363) 2.923 1.418 ( -0.958 0.000 12.627) 12.663 1.446 ( 0.831 0.000 -1.068) 1.353 1.517 ( -0.839 0.000 -3.862) 3.952 1.588 ( -1.023 0.000 3.318) 3.472 1.601 ( 3.417 0.000 2.546) 4.261 1.639 ( 3.775 0.000 2.489) 4.521 1.724 ( -4.518 0.000 2.099) 4.982 1.736 ( 0.351 0.000 9.979) 9.985 1.809 ( 5.864 0.000 1.864) 6.154 1.824 ( 2.536 0.000 15.128) 15.339 1.826 ( -4.080 0.000 -2.818) 4.959 1.926 ( 1.436 0.000 -3.370) 3.663 1.929 ( -5.228 0.000 1.245) 5.375 1.969 ( -3.399 0.000 0.555) 3.444 1.976 ( -0.559 0.000 4.612) 4.646 2.088 ( 4.404 0.000 0.499) 4.432 2.148 ( 0.813 0.000 3.832) 3.917 2.173 ( 2.516 0.000 -0.467) 2.559 2.220 ( 0.319 0.000 -1.407) 1.443 2.233 ( 3.378 0.000 -2.173) 4.016 2.237 ( -3.513 0.000 -0.948) 3.639 2.349 ( -3.940 0.000 -1.346) 4.164 2.395 ( -0.834 0.000 -2.188) 2.341 2.399 ( -2.317 0.000 -1.746) 2.901 2.519 ( -4.269 0.000 -1.022) 4.390 2.563 ( 0.896 0.000 3.408) 3.524 2.655 ( -3.893 0.000 -1.122) 4.051 2.664 ( 2.418 0.000 1.443) 2.816 2.728 ( -0.458 0.000 -4.145) 4.170 2.825 ( -2.842 0.000 4.797) 5.575 2.876 ( 0.294 0.000 0.807) 0.859 2.888 ( 1.953 0.000 -4.815) 5.196 2.984 ( 5.701 0.000 0.067) 5.701 3.039 ( -5.942 0.000 -1.901) 6.238 3.097 ( -7.369 0.000 -4.822) 8.807 3.201 ( 5.418 0.000 -5.912) 8.019 3.306 ( -1.258 0.000 0.662) 1.422 3.331 ( 0.980 0.000 2.369) 2.564 3.486 ( 1.352 0.000 -6.320) 6.463 3.499 ( -1.929 0.000 -3.141) 3.686 3.645 ( 5.427 0.000 -3.109) 6.254 3.657 ( 0.053 0.000 -2.496) 2.496 3.786 ( -2.742 0.000 1.429) 3.092 3.839 ( 1.227 0.000 -0.799) 1.464 4.073 ( -4.186 0.000 1.547) 4.462 4.175 ( 4.944 0.000 -3.569) 6.098 4.225 ( 4.792 0.000 1.868) 5.143 4.256 ( -3.190 0.000 0.246) 3.199 4.448 ( -0.624 0.000 0.002) 0.624 4.449 ( 0.554 0.000 0.585) 0.805 4.517 ( -2.971 0.000 1.390) 3.280 4.573 ( 1.929 0.000 -1.479) 2.430 4.664 ( -3.596 0.000 2.653) 4.469 4.780 ( 3.520 0.000 0.974) 3.653 4.917 ( -1.271 0.000 2.069) 2.428 5.015 ( 4.416 0.000 -6.289) 7.685 5.125 ( 1.857 0.000 0.982) 2.100 5.157 ( -1.869 0.000 -0.107) 1.872 5.316 ( 0.815 0.000 1.832) 2.005 5.453 ( -5.274 0.000 -3.775) 6.486 5.488 ( -1.126 0.000 -1.179) 1.631 5.621 ( 2.198 0.000 -5.646) 6.059 6.605 ( -0.249 0.000 -0.001) 0.249 6.607 ( -0.333 0.000 0.418) 0.534 6.748 ( -2.850 0.000 0.682) 2.930 6.827 ( 13.876 0.000 -2.492) 14.098 8.311 ( 0.632 0.000 6.110) 6.143 8.504 ( -1.448 0.000 -1.241) 1.907 8.576 ( 0.619 0.000 1.490) 1.613 8.689 ( 0.368 0.000 -4.041) 4.057 8.898 ( 0.870 0.000 3.869) 3.966 8.973 ( 0.811 0.000 0.195) 0.834 9.017 ( 0.993 0.000 -2.174) 2.390 9.140 ( -3.211 0.000 -5.684) 6.528 9.490 ( -3.405 0.000 4.243) 5.440 9.609 ( -2.558 0.000 -1.064) 2.771 9.668 ( 2.400 0.000 -0.220) 2.411 9.671 ( -4.870 0.000 -1.345) 5.053 ======================= Grid point 66 (32/60) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 4.115 0.000 10.423) 11.206 0.919 ( 0.503 0.000 8.942) 8.956 1.080 ( -3.123 0.000 0.595) 3.179 1.226 ( 2.526 0.000 -4.709) 5.344 1.247 ( 0.290 0.000 5.310) 5.318 1.396 ( -0.670 0.000 1.892) 2.007 1.432 ( 0.301 0.000 -5.982) 5.990 1.456 ( 0.844 0.000 -5.884) 5.944 1.478 ( -1.160 0.000 6.356) 6.461 1.606 ( -1.301 0.000 3.058) 3.323 1.609 ( -1.883 0.000 -0.255) 1.901 1.638 ( -7.404 0.000 0.144) 7.405 1.727 ( -0.563 0.000 -0.076) 0.568 1.773 ( 3.796 0.000 -1.027) 3.933 1.786 ( -3.156 0.000 -2.015) 3.745 1.799 ( -2.510 0.000 2.237) 3.362 1.876 ( -1.161 0.000 -0.448) 1.245 1.910 ( 2.885 0.000 1.533) 3.267 1.925 ( -3.295 0.000 4.981) 5.972 2.027 ( 5.326 0.000 2.619) 5.935 2.113 ( -4.726 0.000 -3.897) 6.126 2.116 ( -1.370 0.000 0.873) 1.624 2.146 ( -2.028 0.000 -3.878) 4.376 2.173 ( 2.263 0.000 13.948) 14.130 2.208 ( -2.204 0.000 0.111) 2.207 2.214 ( 2.113 0.000 7.972) 8.247 2.289 ( -1.902 0.000 -1.542) 2.449 2.336 ( 4.326 0.000 1.783) 4.679 2.340 ( 3.236 0.000 1.358) 3.509 2.421 ( 2.429 0.000 3.546) 4.298 2.450 ( -4.286 0.000 -1.479) 4.534 2.606 ( 1.256 0.000 0.049) 1.257 2.608 ( 1.665 0.000 2.429) 2.945 2.663 ( -0.371 0.000 -6.548) 6.558 2.753 ( 3.970 0.000 1.291) 4.175 2.798 ( -6.512 0.000 2.995) 7.167 2.826 ( -3.889 0.000 -6.074) 7.213 2.899 ( -0.367 0.000 -2.073) 2.105 2.931 ( 3.762 0.000 7.589) 8.470 2.981 ( -2.243 0.000 -0.907) 2.419 3.156 ( 8.387 0.000 1.967) 8.614 3.191 ( 0.227 0.000 -7.587) 7.591 3.288 ( -1.669 0.000 1.544) 2.273 3.391 ( -0.626 0.000 1.376) 1.512 3.422 ( -3.526 0.000 -2.722) 4.454 3.432 ( 1.338 0.000 -4.861) 5.042 3.581 ( -1.163 0.000 -8.763) 8.840 3.684 ( -4.059 0.000 0.543) 4.095 3.733 ( 0.285 0.000 0.716) 0.771 3.842 ( -1.174 0.000 -0.307) 1.213 4.001 ( -3.385 0.000 1.313) 3.631 4.192 ( -1.593 0.000 -0.997) 1.880 4.254 ( 4.153 0.000 -2.382) 4.787 4.313 ( 1.228 0.000 1.780) 2.163 4.453 ( -0.622 0.000 -0.112) 0.632 4.458 ( 3.646 0.000 -1.150) 3.823 4.546 ( 2.486 0.000 1.420) 2.863 4.595 ( -0.738 0.000 1.908) 2.046 4.657 ( 3.037 0.000 0.009) 3.037 4.851 ( 2.212 0.000 1.216) 2.524 4.874 ( -4.452 0.000 0.714) 4.509 5.031 ( 3.643 0.000 -7.028) 7.916 5.125 ( -0.624 0.000 -0.864) 1.066 5.172 ( 1.057 0.000 2.250) 2.486 5.331 ( -2.258 0.000 3.000) 3.755 5.334 ( -3.230 0.000 -3.305) 4.621 5.491 ( 1.751 0.000 1.473) 2.288 5.582 ( -0.692 0.000 -4.824) 4.873 6.563 ( -4.372 0.000 0.125) 4.374 6.598 ( -0.424 0.000 -0.358) 0.555 6.705 ( -0.548 0.000 -1.529) 1.624 6.940 ( 2.254 0.000 -5.146) 5.618 8.445 ( 6.688 0.000 4.950) 8.321 8.463 ( -0.320 0.000 -2.336) 2.358 8.593 ( 0.048 0.000 0.752) 0.753 8.666 ( 0.125 0.000 -3.680) 3.682 8.935 ( -0.847 0.000 2.908) 3.029 8.941 ( -4.314 0.000 -1.565) 4.589 9.027 ( 1.444 0.000 0.173) 1.455 9.063 ( 0.725 0.000 -3.344) 3.421 9.462 ( -3.126 0.000 4.415) 5.410 9.495 ( -6.339 0.000 3.605) 7.293 9.654 ( 0.762 0.000 -1.372) 1.569 9.713 ( 1.488 0.000 1.170) 1.893 ======================= Grid point 67 (33/60) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -0.507 0.000 4.321) 4.350 1.054 ( 6.517 0.000 5.217) 8.348 1.065 ( 1.258 0.000 4.616) 4.785 1.224 ( 2.270 0.000 -5.699) 6.134 1.293 ( -2.025 0.000 5.715) 6.063 1.304 ( -7.641 0.000 -2.244) 7.964 1.351 ( -0.074 0.000 -11.110) 11.110 1.451 ( 1.951 0.000 -1.249) 2.316 1.458 ( -5.343 0.000 3.806) 6.560 1.486 ( -6.370 0.000 -0.434) 6.385 1.623 ( 3.265 0.000 -1.225) 3.487 1.627 ( 1.160 0.000 4.612) 4.755 1.706 ( -3.992 0.000 1.392) 4.228 1.710 ( -0.956 0.000 1.200) 1.534 1.759 ( -3.973 0.000 -2.299) 4.590 1.831 ( 3.898 0.000 -3.019) 4.930 1.861 ( 0.494 0.000 -3.161) 3.200 1.924 ( -0.564 0.000 4.240) 4.277 1.970 ( 1.374 0.000 -0.016) 1.374 1.999 ( -2.143 0.000 0.833) 2.299 2.041 ( -4.565 0.000 2.699) 5.303 2.062 ( -1.008 0.000 -4.867) 4.970 2.137 ( -1.583 0.000 -0.232) 1.599 2.173 ( -2.236 0.000 1.457) 2.668 2.179 ( 0.719 0.000 1.911) 2.042 2.246 ( -1.059 0.000 0.884) 1.380 2.264 ( 0.746 0.000 -3.013) 3.104 2.332 ( -9.341 0.000 5.396) 10.787 2.383 ( -0.482 0.000 -1.608) 1.679 2.444 ( -0.252 0.000 -1.639) 1.659 2.573 ( 0.874 0.000 7.577) 7.627 2.632 ( 1.527 0.000 -2.200) 2.678 2.674 ( 0.884 0.000 7.261) 7.315 2.692 ( 3.667 0.000 2.795) 4.611 2.727 ( 5.928 0.000 1.238) 6.055 2.791 ( 0.234 0.000 1.330) 1.351 2.810 ( 0.942 0.000 2.117) 2.317 2.906 ( 3.078 0.000 -1.195) 3.302 2.955 ( 0.594 0.000 0.087) 0.601 3.085 ( -2.174 0.000 -6.700) 7.044 3.101 ( 0.630 0.000 7.474) 7.501 3.268 ( 0.391 0.000 3.423) 3.446 3.299 ( -0.830 0.000 -3.640) 3.734 3.303 ( -1.570 0.000 -6.279) 6.472 3.362 ( 4.221 0.000 1.439) 4.460 3.500 ( 0.840 0.000 -9.227) 9.265 3.500 ( 2.438 0.000 1.843) 3.056 3.561 ( -6.142 0.000 0.670) 6.178 3.775 ( 1.347 0.000 1.976) 2.391 3.825 ( 0.925 0.000 -0.620) 1.113 3.988 ( 0.475 0.000 1.609) 1.678 4.152 ( -1.818 0.000 -0.566) 1.904 4.310 ( 3.857 0.000 -2.974) 4.871 4.319 ( -1.543 0.000 2.180) 2.671 4.424 ( -1.475 0.000 -1.382) 2.022 4.493 ( 1.070 0.000 -2.396) 2.624 4.603 ( 0.098 0.000 3.402) 3.404 4.637 ( 5.824 0.000 -0.597) 5.855 4.743 ( 1.641 0.000 2.646) 3.114 4.782 ( -2.594 0.000 -1.040) 2.795 4.868 ( -0.837 0.000 0.250) 0.874 5.050 ( 4.482 0.000 -6.824) 8.164 5.108 ( -0.251 0.000 -2.219) 2.233 5.191 ( -1.048 0.000 2.626) 2.827 5.270 ( -0.983 0.000 -4.574) 4.679 5.285 ( -4.278 0.000 3.108) 5.288 5.545 ( -0.320 0.000 -0.444) 0.547 5.560 ( 2.275 0.000 3.238) 3.958 6.489 ( -2.102 0.000 -0.446) 2.149 6.576 ( -1.236 0.000 -1.531) 1.968 6.698 ( 0.912 0.000 -1.533) 1.783 6.882 ( -3.242 0.000 -3.662) 4.891 8.467 ( 2.010 0.000 -0.931) 2.215 8.545 ( -0.061 0.000 -0.949) 0.951 8.632 ( -0.138 0.000 -3.277) 3.280 8.637 ( 4.204 0.000 2.836) 5.071 8.829 ( -4.314 0.000 -2.793) 5.140 8.918 ( -1.028 0.000 -1.357) 1.702 9.059 ( -0.137 0.000 2.889) 2.892 9.083 ( 3.071 0.000 -1.839) 3.580 9.452 ( -2.062 0.000 5.107) 5.508 9.462 ( -1.558 0.000 6.550) 6.732 9.651 ( 0.056 0.000 -1.136) 1.138 9.732 ( -0.917 0.000 1.508) 1.764 ======================= Grid point 68 (34/60) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -6.566 0.000 2.953) 7.199 1.045 ( -13.827 0.000 -2.174) 13.997 1.131 ( 1.472 0.000 6.605) 6.767 1.151 ( -0.873 0.000 -1.977) 2.162 1.282 ( 1.391 0.000 -7.417) 7.547 1.293 ( 7.347 0.000 1.777) 7.559 1.323 ( -3.066 0.000 2.208) 3.778 1.368 ( -2.484 0.000 4.935) 5.524 1.385 ( -2.763 0.000 -1.959) 3.387 1.539 ( 6.356 0.000 1.274) 6.483 1.614 ( -6.471 0.000 0.055) 6.471 1.643 ( -3.861 0.000 1.593) 4.177 1.649 ( 1.603 0.000 -4.106) 4.408 1.733 ( 2.677 0.000 2.292) 3.524 1.761 ( 2.709 0.000 3.797) 4.664 1.843 ( -2.523 0.000 0.793) 2.645 1.871 ( 1.249 0.000 -1.699) 2.108 1.921 ( -1.893 0.000 -3.629) 4.093 1.932 ( -3.101 0.000 2.315) 3.870 1.951 ( -7.840 0.000 4.152) 8.872 2.003 ( 1.296 0.000 -1.613) 2.069 2.027 ( 1.097 0.000 -1.268) 1.677 2.139 ( 0.127 0.000 1.470) 1.475 2.154 ( -0.244 0.000 -0.718) 0.758 2.194 ( -1.812 0.000 5.913) 6.184 2.225 ( 1.520 0.000 3.472) 3.790 2.239 ( -2.790 0.000 1.246) 3.056 2.286 ( 1.807 0.000 -1.963) 2.668 2.332 ( -2.029 0.000 -2.329) 3.089 2.420 ( 0.018 0.000 -0.802) 0.803 2.636 ( 0.348 0.000 -1.709) 1.744 2.640 ( 2.896 0.000 5.081) 5.848 2.674 ( -2.414 0.000 0.121) 2.417 2.767 ( 0.783 0.000 1.556) 1.742 2.808 ( -1.893 0.000 1.432) 2.374 2.811 ( 0.534 0.000 1.370) 1.470 2.840 ( 2.177 0.000 1.259) 2.514 2.949 ( 5.624 0.000 -4.403) 7.143 2.980 ( -3.772 0.000 -4.486) 5.861 3.046 ( -2.637 0.000 -6.019) 6.571 3.143 ( 8.603 0.000 8.129) 11.836 3.241 ( -0.711 0.000 -1.151) 1.353 3.272 ( 2.689 0.000 -2.213) 3.482 3.323 ( -2.853 0.000 4.274) 5.139 3.434 ( 4.048 0.000 -5.598) 6.908 3.441 ( -3.407 0.000 -1.381) 3.676 3.507 ( 3.230 0.000 1.732) 3.665 3.575 ( 1.596 0.000 0.306) 1.625 3.812 ( 0.649 0.000 2.255) 2.347 3.866 ( 3.089 0.000 -0.984) 3.242 4.032 ( 2.152 0.000 1.900) 2.871 4.119 ( -0.656 0.000 -1.200) 1.368 4.300 ( -2.211 0.000 1.596) 2.727 4.340 ( 0.439 0.000 -0.898) 1.000 4.394 ( 0.742 0.000 -1.966) 2.101 4.472 ( -0.467 0.000 -3.352) 3.385 4.654 ( -1.265 0.000 2.571) 2.865 4.675 ( -1.403 0.000 1.650) 2.166 4.720 ( 3.101 0.000 -1.657) 3.516 4.845 ( 2.080 0.000 3.498) 4.069 4.850 ( 0.705 0.000 -1.885) 2.013 5.071 ( 3.592 0.000 -7.557) 8.367 5.081 ( 0.168 0.000 -2.409) 2.415 5.180 ( -3.587 0.000 -7.391) 8.216 5.204 ( 0.010 0.000 5.087) 5.087 5.252 ( -1.619 0.000 3.117) 3.513 5.565 ( 0.770 0.000 3.341) 3.429 5.607 ( 0.126 0.000 1.768) 1.773 6.488 ( 1.766 0.000 0.128) 1.770 6.522 ( -2.564 0.000 -2.583) 3.639 6.712 ( 1.402 0.000 -0.219) 1.418 6.780 ( -4.272 0.000 -2.604) 5.003 8.494 ( 0.622 0.000 -0.600) 0.864 8.511 ( -1.478 0.000 -1.758) 2.297 8.639 ( 3.339 0.000 -0.545) 3.383 8.648 ( -4.539 0.000 -1.527) 4.789 8.807 ( 3.780 0.000 -0.141) 3.783 8.883 ( -0.420 0.000 -3.554) 3.579 9.061 ( -1.636 0.000 1.683) 2.347 9.141 ( 4.270 0.000 -1.617) 4.566 9.469 ( -1.121 0.000 5.914) 6.020 9.534 ( 1.919 0.000 7.416) 7.661 9.646 ( 0.868 0.000 -0.465) 0.985 9.703 ( -2.537 0.000 0.076) 2.538 ======================= Grid point 69 (35/60) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -12.757 0.000 8.920) 15.567 0.863 ( -11.482 0.000 8.233) 14.129 1.097 ( -1.838 0.000 -1.119) 2.152 1.194 ( 0.358 0.000 1.067) 1.126 1.245 ( 0.163 0.000 -1.519) 1.528 1.262 ( -2.022 0.000 1.087) 2.296 1.401 ( -2.065 0.000 0.264) 2.082 1.434 ( 0.792 0.000 7.084) 7.128 1.439 ( 8.779 0.000 0.677) 8.805 1.499 ( -6.612 0.000 4.236) 7.852 1.586 ( 1.065 0.000 0.651) 1.248 1.603 ( -1.302 0.000 -1.638) 2.092 1.673 ( 0.962 0.000 0.313) 1.011 1.725 ( -2.511 0.000 -0.834) 2.646 1.725 ( -8.781 0.000 9.653) 13.049 1.822 ( -2.025 0.000 -2.599) 3.295 1.837 ( -4.166 0.000 1.916) 4.585 1.898 ( 3.323 0.000 1.123) 3.508 1.899 ( 3.206 0.000 2.969) 4.370 1.975 ( 1.645 0.000 3.234) 3.628 2.007 ( 0.664 0.000 -4.262) 4.313 2.043 ( -0.648 0.000 -1.338) 1.487 2.152 ( -0.039 0.000 -0.259) 0.262 2.174 ( 0.514 0.000 -0.014) 0.514 2.226 ( 5.989 0.000 -2.428) 6.463 2.236 ( 1.494 0.000 4.978) 5.197 2.265 ( -1.158 0.000 -2.709) 2.946 2.280 ( -1.921 0.000 -1.413) 2.385 2.355 ( 6.261 0.000 0.962) 6.335 2.444 ( 0.565 0.000 4.136) 4.174 2.616 ( -2.732 0.000 0.694) 2.818 2.618 ( -0.587 0.000 -2.324) 2.397 2.719 ( -6.482 0.000 0.761) 6.527 2.737 ( 1.478 0.000 2.336) 2.765 2.789 ( 0.031 0.000 1.984) 1.984 2.792 ( -1.439 0.000 -3.795) 4.059 2.883 ( 0.716 0.000 1.166) 1.368 2.907 ( -0.431 0.000 -2.207) 2.248 2.990 ( 2.238 0.000 -5.650) 6.077 3.041 ( 5.428 0.000 -0.751) 5.480 3.205 ( -2.994 0.000 -4.400) 5.322 3.276 ( 6.869 0.000 -5.081) 8.544 3.292 ( -1.040 0.000 4.390) 4.511 3.360 ( 1.044 0.000 4.791) 4.903 3.384 ( -1.176 0.000 -2.927) 3.154 3.463 ( 3.672 0.000 -3.774) 5.265 3.568 ( 1.535 0.000 1.199) 1.948 3.582 ( 0.904 0.000 -2.522) 2.679 3.829 ( -0.378 0.000 0.552) 0.669 3.893 ( 1.207 0.000 -3.171) 3.393 4.089 ( 1.948 0.000 2.043) 2.823 4.107 ( 0.965 0.000 -2.336) 2.527 4.248 ( -4.534 0.000 0.106) 4.536 4.328 ( -1.010 0.000 1.126) 1.513 4.412 ( 1.604 0.000 -0.917) 1.847 4.432 ( -0.474 0.000 -2.788) 2.828 4.589 ( -2.502 0.000 -0.580) 2.568 4.716 ( -1.299 0.000 -0.786) 1.519 4.724 ( -0.694 0.000 4.427) 4.482 4.887 ( -0.168 0.000 2.699) 2.704 4.887 ( 5.432 0.000 -4.799) 7.249 4.974 ( -7.345 0.000 -10.752) 13.021 5.087 ( 1.272 0.000 -3.723) 3.934 5.103 ( 2.608 0.000 1.338) 2.931 5.268 ( 0.876 0.000 1.274) 1.546 5.313 ( 6.176 0.000 7.237) 9.514 5.593 ( -1.939 0.000 -0.515) 2.006 5.605 ( -0.049 0.000 2.881) 2.882 6.454 ( -1.866 0.000 -0.510) 1.935 6.538 ( 2.689 0.000 0.515) 2.738 6.688 ( -3.401 0.000 -1.345) 3.657 6.745 ( 1.252 0.000 1.488) 1.945 8.448 ( -4.184 0.000 -2.238) 4.744 8.493 ( 0.131 0.000 0.334) 0.359 8.557 ( -2.218 0.000 -0.394) 2.252 8.728 ( 3.820 0.000 1.985) 4.305 8.840 ( 0.311 0.000 -5.767) 5.776 8.883 ( 3.671 0.000 -0.228) 3.678 9.035 ( -1.523 0.000 0.081) 1.525 9.205 ( 3.647 0.000 -2.402) 4.367 9.501 ( -1.222 0.000 6.037) 6.159 9.593 ( 0.856 0.000 0.008) 0.856 9.653 ( -1.508 0.000 -1.492) 2.121 9.725 ( 4.866 0.000 4.177) 6.413 ======================= Grid point 70 (36/60) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -9.361 0.000 13.430) 16.370 0.788 ( -1.979 0.000 19.411) 19.512 1.092 ( 1.931 0.000 -0.507) 1.997 1.168 ( -0.337 0.000 -3.250) 3.267 1.246 ( 0.130 0.000 -2.199) 2.203 1.334 ( 6.567 0.000 3.818) 7.596 1.337 ( -2.830 0.000 2.370) 3.692 1.361 ( -9.317 0.000 17.264) 19.617 1.531 ( -2.611 0.000 1.619) 3.072 1.562 ( 2.459 0.000 3.675) 4.422 1.595 ( 0.231 0.000 0.443) 0.500 1.629 ( 0.614 0.000 -5.415) 5.450 1.673 ( -4.466 0.000 11.186) 12.045 1.687 ( 4.106 0.000 5.091) 6.540 1.778 ( -2.683 0.000 -0.251) 2.695 1.779 ( 6.101 0.000 3.166) 6.873 1.784 ( -1.457 0.000 0.851) 1.687 1.933 ( 0.069 0.000 -5.143) 5.143 1.972 ( -0.076 0.000 2.198) 2.199 1.975 ( -0.942 0.000 -1.870) 2.093 2.007 ( 0.411 0.000 2.532) 2.566 2.015 ( 0.134 0.000 0.703) 0.715 2.111 ( -1.270 0.000 -0.295) 1.304 2.189 ( 2.414 0.000 -5.168) 5.703 2.226 ( -1.944 0.000 -1.385) 2.386 2.234 ( -1.221 0.000 0.813) 1.467 2.290 ( -0.343 0.000 1.947) 1.977 2.362 ( 7.629 0.000 -3.801) 8.523 2.419 ( -0.442 0.000 -0.643) 0.780 2.464 ( -3.907 0.000 4.566) 6.009 2.566 ( -3.709 0.000 -0.136) 3.712 2.577 ( -1.458 0.000 -0.374) 1.505 2.624 ( -0.034 0.000 -0.904) 0.905 2.732 ( -2.635 0.000 -0.111) 2.637 2.750 ( -1.315 0.000 0.713) 1.496 2.839 ( 1.142 0.000 1.387) 1.797 2.872 ( -0.212 0.000 -0.645) 0.679 2.876 ( -0.207 0.000 -2.457) 2.465 2.985 ( -0.940 0.000 -3.445) 3.570 3.114 ( 0.924 0.000 1.276) 1.575 3.142 ( 3.521 0.000 -5.358) 6.411 3.230 ( -8.177 0.000 -1.546) 8.321 3.311 ( -0.033 0.000 0.928) 0.929 3.340 ( 2.664 0.000 -5.639) 6.237 3.466 ( 5.290 0.000 -0.044) 5.290 3.524 ( 3.130 0.000 -2.201) 3.826 3.580 ( 3.056 0.000 -5.576) 6.358 3.603 ( 2.477 0.000 1.776) 3.048 3.809 ( -1.114 0.000 -0.498) 1.220 3.862 ( -0.552 0.000 -4.373) 4.407 4.122 ( 3.276 0.000 -3.299) 4.649 4.137 ( -1.687 0.000 0.335) 1.720 4.150 ( -1.735 0.000 3.073) 3.529 4.310 ( -2.452 0.000 1.138) 2.703 4.424 ( 1.104 0.000 -0.109) 1.109 4.431 ( 0.871 0.000 0.133) 0.882 4.562 ( 0.243 0.000 -1.058) 1.086 4.682 ( -7.120 0.000 -2.493) 7.544 4.712 ( -3.703 0.000 3.670) 5.214 4.736 ( -2.993 0.000 -1.772) 3.478 4.905 ( -0.003 0.000 2.353) 2.353 4.962 ( 6.193 0.000 -5.670) 8.396 5.096 ( 1.532 0.000 -1.247) 1.975 5.163 ( 1.026 0.000 1.919) 2.176 5.291 ( 0.927 0.000 0.056) 0.928 5.509 ( 7.364 0.000 -1.410) 7.498 5.537 ( -2.423 0.000 -1.715) 2.968 5.595 ( -1.180 0.000 0.167) 1.191 6.526 ( 9.207 0.000 4.040) 10.054 6.586 ( 1.788 0.000 0.471) 1.849 6.636 ( -1.134 0.000 0.499) 1.239 6.771 ( -0.586 0.000 2.114) 2.194 8.337 ( -5.492 0.000 1.022) 5.586 8.510 ( 0.466 0.000 1.316) 1.396 8.552 ( 0.383 0.000 1.343) 1.396 8.738 ( -1.467 0.000 -3.663) 3.946 8.849 ( 2.804 0.000 -0.243) 2.814 8.939 ( 2.553 0.000 -0.303) 2.571 9.017 ( 0.186 0.000 -1.046) 1.062 9.217 ( 0.232 0.000 -4.367) 4.373 9.511 ( -2.625 0.000 4.843) 5.508 9.606 ( 1.646 0.000 -1.765) 2.413 9.637 ( 1.180 0.000 -1.282) 1.743 9.791 ( -1.279 0.000 -1.902) 2.292 ======================= Grid point 71 (37/60) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -1.513 9.980 11.654) 15.418 0.924 ( -3.645 4.680 12.820) 14.126 1.110 ( 0.634 -2.077 0.904) 2.352 1.170 ( 1.063 0.038 1.391) 1.751 1.259 ( -0.403 0.684 0.383) 0.881 1.304 ( 2.147 -4.416 3.699) 6.148 1.420 ( -0.498 -1.906 -1.377) 2.403 1.430 ( -0.488 0.810 6.848) 6.914 1.497 ( 2.075 -2.733 4.568) 5.713 1.537 ( -0.196 -1.196 -4.595) 4.752 1.593 ( -1.258 -0.883 1.052) 1.863 1.610 ( 2.260 -3.156 2.192) 4.458 1.683 ( -0.893 -1.685 0.580) 1.993 1.741 ( -1.975 -2.923 2.065) 4.088 1.786 ( -3.297 1.001 -3.430) 4.862 1.851 ( 2.500 2.606 13.408) 13.886 1.875 ( 4.386 3.222 4.698) 7.190 1.928 ( 0.904 2.175 1.239) 2.661 1.962 ( -1.600 0.706 3.236) 3.679 2.011 ( -2.484 3.315 0.377) 4.160 2.022 ( 1.145 2.844 2.515) 3.965 2.086 ( 3.148 -0.784 1.851) 3.736 2.141 ( -0.081 -0.043 2.521) 2.523 2.175 ( 2.501 -0.496 1.972) 3.223 2.204 ( 0.220 -1.075 0.899) 1.419 2.217 ( -2.092 -0.162 -3.003) 3.664 2.262 ( 2.119 0.074 -1.915) 2.857 2.298 ( -2.215 -0.998 -0.431) 2.467 2.364 ( -2.177 -0.725 -4.237) 4.819 2.459 ( -1.114 0.829 2.146) 2.556 2.517 ( -2.300 -4.031 5.185) 6.958 2.565 ( -2.043 1.672 -1.557) 3.065 2.572 ( 3.518 -5.552 4.619) 8.033 2.672 ( -0.225 -1.144 -0.714) 1.367 2.684 ( -0.347 -0.969 -1.733) 2.015 2.802 ( -0.526 -3.503 -3.736) 5.148 2.847 ( -2.931 1.377 -4.058) 5.192 2.879 ( -2.127 0.813 -2.030) 3.051 3.011 ( -3.774 0.656 -1.254) 4.030 3.073 ( -4.843 1.920 -2.810) 5.920 3.177 ( 1.498 5.311 -3.341) 6.451 3.237 ( 4.660 3.050 -1.923) 5.892 3.310 ( -0.586 2.083 -4.483) 4.978 3.377 ( -2.081 -3.429 -3.475) 5.307 3.422 ( 2.149 3.604 -0.010) 4.196 3.532 ( -0.789 -0.960 -3.646) 3.852 3.627 ( 5.524 -1.701 -3.254) 6.633 3.654 ( 0.724 -0.281 -0.641) 1.008 3.797 ( -1.528 1.387 0.387) 2.099 3.846 ( 1.010 -0.100 -1.560) 1.861 4.064 ( -3.550 -0.112 1.484) 3.850 4.142 ( 0.493 -3.175 -2.785) 4.252 4.225 ( 2.662 0.476 1.223) 2.968 4.253 ( 0.390 -0.183 0.037) 0.432 4.446 ( 1.000 0.162 1.304) 1.651 4.463 ( 0.915 0.515 0.731) 1.279 4.537 ( -2.757 1.794 0.930) 3.418 4.581 ( 1.377 0.419 -0.975) 1.739 4.695 ( -2.944 2.709 1.768) 4.374 4.771 ( 2.894 -0.785 0.950) 3.145 4.915 ( -1.049 -0.004 1.649) 1.955 4.981 ( 2.223 -2.867 -3.780) 5.239 5.140 ( 1.900 1.494 0.787) 2.541 5.172 ( -0.191 0.753 -0.972) 1.244 5.340 ( 0.054 2.126 1.201) 2.442 5.424 ( -3.933 -2.067 -1.225) 4.609 5.507 ( -0.971 1.355 -3.138) 3.554 5.595 ( 2.055 -2.404 -4.844) 5.785 6.562 ( -0.577 -1.937 1.506) 2.521 6.607 ( 1.982 -2.400 -0.098) 3.114 6.739 ( -0.727 -0.390 1.089) 1.366 6.782 ( 6.161 -2.438 -0.156) 6.628 8.333 ( 1.335 2.268 5.526) 6.121 8.477 ( -0.020 -3.711 0.322) 3.725 8.602 ( -0.183 3.692 -1.298) 3.917 8.706 ( -0.346 -0.017 -5.393) 5.404 8.932 ( 1.218 2.578 2.055) 3.515 8.992 ( -0.657 0.932 -0.746) 1.363 9.008 ( 2.113 0.589 -1.007) 2.414 9.125 ( -2.281 -1.613 -4.418) 5.227 9.517 ( -3.843 2.524 3.280) 5.648 9.613 ( -4.384 -0.099 -0.404) 4.403 9.645 ( 0.072 -1.235 -0.623) 1.385 9.669 ( 0.605 -0.651 -0.939) 1.293 ======================= Grid point 72 (38/60) ======================= q-point: ( 0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -1.598 3.508 8.906) 9.704 1.040 ( 3.743 8.153 7.789) 11.881 1.086 ( -2.085 0.144 2.759) 3.461 1.240 ( 2.660 -0.285 1.073) 2.882 1.267 ( 0.181 1.703 2.234) 2.815 1.341 ( -0.550 -2.855 0.571) 2.963 1.407 ( 1.178 -2.053 -1.811) 2.980 1.446 ( 0.241 -0.965 -1.969) 2.206 1.472 ( -0.796 0.001 -0.447) 0.913 1.561 ( -3.493 -1.890 -2.522) 4.705 1.587 ( 1.371 -5.409 3.189) 6.427 1.639 ( -2.425 -3.410 1.883) 4.588 1.666 ( -0.767 -0.416 -0.998) 1.326 1.736 ( 0.365 -2.207 2.013) 3.010 1.752 ( 0.879 -0.826 0.172) 1.218 1.844 ( -1.054 -1.818 -3.596) 4.165 1.866 ( -5.603 3.182 1.031) 6.525 1.934 ( -3.063 3.179 -0.191) 4.418 1.976 ( -0.419 1.567 0.158) 1.630 2.043 ( -1.003 0.820 5.571) 5.720 2.087 ( -1.920 -0.393 -1.897) 2.727 2.111 ( -0.780 -1.886 -0.702) 2.158 2.156 ( -0.714 -1.852 0.232) 1.999 2.176 ( -4.676 2.370 -1.667) 5.501 2.198 ( -0.177 -0.789 3.531) 3.622 2.237 ( 4.508 1.800 10.138) 11.241 2.300 ( 2.953 -0.222 2.020) 3.585 2.312 ( 0.443 0.818 -2.054) 2.254 2.377 ( 4.606 3.241 5.876) 8.139 2.444 ( -3.323 0.260 2.355) 4.081 2.495 ( 1.180 4.771 0.725) 4.968 2.538 ( 0.350 -5.276 1.263) 5.436 2.625 ( 0.817 1.044 -1.788) 2.226 2.686 ( 1.953 0.389 -2.133) 2.919 2.711 ( -0.408 -0.902 -0.192) 1.008 2.795 ( 2.010 -4.934 5.061) 7.348 2.816 ( -1.760 -1.371 -0.891) 2.402 2.831 ( 2.910 -2.896 0.314) 4.117 2.892 ( -3.555 1.151 -0.196) 3.742 3.019 ( -1.015 -0.219 0.547) 1.174 3.191 ( 0.710 2.318 -0.774) 2.545 3.230 ( -3.004 0.323 -3.112) 4.338 3.297 ( 3.831 5.555 -4.357) 8.032 3.317 ( -1.521 -3.879 -2.852) 5.050 3.447 ( 1.101 -1.079 -4.508) 4.764 3.493 ( 0.211 2.894 -0.673) 2.978 3.590 ( -3.201 2.046 -4.657) 6.010 3.664 ( -1.289 -1.513 -1.610) 2.558 3.761 ( -1.222 2.641 0.545) 2.960 3.851 ( -0.189 -0.182 -0.538) 0.598 4.008 ( -2.473 1.021 1.559) 3.097 4.140 ( 0.603 -4.797 -0.909) 4.919 4.256 ( 1.309 1.110 -0.764) 1.879 4.309 ( 2.741 -1.158 0.024) 2.975 4.460 ( -0.395 1.526 -0.442) 1.637 4.478 ( 1.460 0.900 0.034) 1.716 4.546 ( 1.166 0.416 1.921) 2.285 4.613 ( 2.105 -0.010 -0.120) 2.108 4.683 ( 0.955 3.298 1.232) 3.648 4.825 ( 1.152 -2.210 0.666) 2.580 4.885 ( -2.813 0.914 0.737) 3.048 4.981 ( 1.377 -3.669 -3.498) 5.253 5.165 ( 0.904 2.413 -2.102) 3.326 5.183 ( 1.459 0.979 1.353) 2.217 5.329 ( -2.600 0.059 -0.815) 2.726 5.341 ( -3.137 0.295 1.271) 3.397 5.499 ( 1.658 0.934 -0.430) 1.952 5.567 ( -0.094 -1.453 -4.390) 4.625 6.540 ( -2.648 -0.671 0.550) 2.787 6.609 ( -0.617 -0.936 -0.960) 1.476 6.710 ( -0.946 1.215 -0.684) 1.685 6.865 ( 1.980 -5.959 -2.250) 6.670 8.439 ( 3.551 0.148 3.522) 5.004 8.470 ( 1.083 -0.262 -1.313) 1.722 8.598 ( 0.162 0.918 0.451) 1.036 8.660 ( -0.382 -0.936 -3.881) 4.011 8.942 ( -1.613 0.924 0.092) 1.861 8.964 ( -2.091 1.130 -0.671) 2.470 9.032 ( 1.481 0.983 0.134) 1.782 9.071 ( 0.572 0.347 -2.554) 2.641 9.474 ( -3.609 1.054 3.976) 5.473 9.499 ( -6.057 0.248 3.474) 6.987 9.657 ( 1.030 0.454 -1.068) 1.552 9.702 ( 1.354 -1.063 0.747) 1.877 ======================= Grid point 73 (39/60) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 1.419 -1.085 4.423) 4.771 1.055 ( -0.571 1.073 4.085) 4.262 1.184 ( 1.465 5.108 2.387) 5.825 1.252 ( -2.939 0.341 -1.522) 3.327 1.271 ( -0.519 0.838 2.905) 3.068 1.320 ( -1.437 2.894 -0.262) 3.241 1.368 ( 0.449 1.435 -9.389) 9.509 1.431 ( -1.937 -1.862 -0.598) 2.753 1.456 ( -1.394 -1.311 -2.916) 3.488 1.514 ( -5.522 1.140 0.053) 5.639 1.533 ( 1.628 -3.628 5.653) 6.912 1.633 ( -1.603 -4.047 1.616) 4.643 1.685 ( 2.294 1.582 1.283) 3.067 1.728 ( -0.874 0.081 2.313) 2.473 1.774 ( 0.252 0.467 0.844) 0.997 1.812 ( 1.031 -0.440 -3.005) 3.208 1.845 ( 1.037 -1.360 -2.763) 3.250 1.886 ( -0.719 -1.246 1.161) 1.848 1.931 ( -3.029 -5.250 -2.977) 6.753 1.989 ( -5.336 -0.111 -1.456) 5.532 2.002 ( -4.057 -1.980 4.352) 6.270 2.071 ( -0.947 -0.483 -0.184) 1.079 2.154 ( 1.716 -2.137 0.661) 2.819 2.163 ( 0.579 -0.423 -1.057) 1.278 2.200 ( 0.608 3.255 -0.588) 3.363 2.260 ( -3.711 3.135 0.423) 4.877 2.309 ( -1.801 3.856 -0.276) 4.265 2.323 ( -2.825 -1.347 0.925) 3.263 2.408 ( 0.217 -0.231 0.392) 0.504 2.460 ( -0.294 2.740 -1.236) 3.020 2.534 ( 0.201 -5.505 1.545) 5.722 2.571 ( -4.228 -0.646 2.980) 5.213 2.640 ( 0.289 -2.206 1.830) 2.881 2.723 ( 4.075 0.905 4.399) 6.064 2.763 ( 4.943 2.194 1.650) 5.654 2.804 ( -1.314 1.550 2.029) 2.871 2.829 ( 2.839 1.778 3.117) 4.576 2.908 ( 4.738 0.701 1.322) 4.968 2.938 ( -0.888 -1.484 -0.888) 1.944 3.064 ( 2.284 -5.048 9.094) 10.649 3.124 ( -2.332 2.092 -3.148) 4.441 3.196 ( -0.466 -2.494 -1.634) 3.018 3.278 ( 0.409 -0.043 0.487) 0.637 3.347 ( 3.715 0.410 -4.852) 6.124 3.416 ( 0.229 3.512 -2.723) 4.450 3.452 ( -2.811 -0.910 -3.238) 4.384 3.549 ( 1.947 2.284 -2.270) 3.763 3.578 ( -3.263 0.655 -2.597) 4.221 3.780 ( 1.608 1.539 1.331) 2.593 3.848 ( 0.622 0.840 0.105) 1.051 4.009 ( 0.680 2.138 2.135) 3.098 4.139 ( -0.390 -2.615 -0.063) 2.644 4.268 ( 0.560 0.152 -0.107) 0.591 4.343 ( 1.641 -1.179 -0.935) 2.227 4.436 ( -1.178 1.938 -1.388) 2.659 4.495 ( 0.684 -0.133 -1.789) 1.920 4.593 ( 1.575 -0.317 2.892) 3.309 4.655 ( 2.867 -0.037 -0.276) 2.881 4.728 ( -0.819 0.295 2.265) 2.426 4.814 ( 1.057 2.146 -1.195) 2.674 4.855 ( -1.554 -0.790 0.442) 1.799 4.990 ( 2.730 -4.188 -3.087) 5.875 5.151 ( -0.388 2.703 -3.944) 4.797 5.210 ( 0.242 1.325 1.018) 1.688 5.265 ( -2.172 -0.009 -3.077) 3.766 5.302 ( -2.431 0.905 2.645) 3.705 5.526 ( 0.125 -0.872 0.322) 0.938 5.558 ( 1.554 -0.720 0.775) 1.880 6.495 ( -1.413 0.995 -0.232) 1.743 6.578 ( -1.468 -0.675 -1.394) 2.134 6.699 ( 0.434 0.825 -1.097) 1.440 6.835 ( -2.359 -4.194 -2.397) 5.376 8.461 ( 1.208 -0.328 -1.288) 1.796 8.512 ( -0.275 -2.778 -0.591) 2.854 8.622 ( 1.453 0.328 -0.793) 1.687 8.646 ( 1.834 -0.082 0.991) 2.087 8.875 ( -2.659 3.263 -2.870) 5.094 8.930 ( -1.027 0.806 -1.615) 2.077 9.062 ( 0.794 0.430 1.238) 1.532 9.086 ( 2.130 0.050 -1.033) 2.368 9.455 ( -2.265 0.265 5.087) 5.575 9.462 ( -2.045 -0.017 6.205) 6.533 9.660 ( 0.083 0.927 -0.799) 1.227 9.718 ( -0.701 -1.308 1.101) 1.848 ======================= Grid point 74 (40/60) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -6.845 -0.388 2.605) 7.334 1.076 ( -2.027 -1.589 2.101) 3.324 1.148 ( -7.297 2.875 3.075) 8.424 1.179 ( -1.418 2.896 -1.188) 3.437 1.218 ( -1.533 -1.258 -4.112) 4.565 1.304 ( -0.077 -0.467 3.303) 3.337 1.333 ( -4.457 0.396 2.008) 4.904 1.353 ( -1.388 -2.478 -2.078) 3.520 1.426 ( 4.089 4.529 -1.415) 6.264 1.518 ( 0.079 -2.134 -0.650) 2.233 1.570 ( 1.692 -1.845 1.731) 3.043 1.627 ( -2.813 -1.082 0.855) 3.133 1.725 ( -0.489 2.793 -2.934) 4.080 1.745 ( -0.371 -0.271 1.841) 1.898 1.799 ( 3.853 1.978 5.255) 6.810 1.811 ( -0.363 -1.218 -1.477) 1.949 1.831 ( -1.132 -1.472 1.010) 2.114 1.876 ( -1.197 -0.517 -0.019) 1.304 1.923 ( 2.044 -1.884 -1.738) 3.278 1.931 ( 2.600 -4.244 0.179) 4.980 1.993 ( 0.061 -1.471 1.360) 2.004 2.032 ( -4.121 -0.534 1.137) 4.308 2.151 ( -0.785 3.111 -0.746) 3.294 2.188 ( 1.433 0.943 1.386) 2.205 2.188 ( -2.958 -0.610 3.282) 4.460 2.225 ( -4.473 2.618 2.702) 5.845 2.236 ( -1.732 1.240 0.286) 2.150 2.292 ( 0.484 1.851 -1.256) 2.289 2.377 ( -0.121 -1.013 -3.759) 3.896 2.446 ( 0.110 3.376 -2.323) 4.100 2.529 ( 1.498 -6.577 0.700) 6.781 2.599 ( -0.272 -3.902 4.432) 5.912 2.642 ( -0.890 -1.864 0.515) 2.129 2.737 ( -6.725 -5.822 4.172) 9.825 2.799 ( -1.102 1.097 2.575) 3.008 2.821 ( 0.105 0.022 1.578) 1.582 2.867 ( 4.578 2.953 -1.735) 5.717 2.940 ( 5.474 -0.852 -5.072) 7.511 3.023 ( -0.148 2.568 -2.090) 3.315 3.049 ( -1.451 0.403 -4.919) 5.144 3.183 ( 4.910 1.933 3.924) 6.576 3.211 ( 2.582 -0.430 2.837) 3.860 3.310 ( -1.338 1.127 4.487) 4.816 3.318 ( 0.125 0.365 -5.357) 5.371 3.406 ( -0.032 -0.788 1.472) 1.670 3.444 ( 2.191 -0.171 -4.203) 4.743 3.536 ( 1.743 1.892 -0.934) 2.737 3.581 ( 1.707 0.116 -0.828) 1.901 3.826 ( 1.619 1.461 1.020) 2.407 3.875 ( 1.875 0.401 -0.409) 1.960 4.054 ( 1.337 2.083 2.876) 3.795 4.129 ( -0.158 -0.274 -0.413) 0.520 4.277 ( -0.325 0.310 1.339) 1.413 4.364 ( 1.930 -1.314 -2.352) 3.314 4.397 ( -1.432 2.225 -1.303) 2.949 4.475 ( -0.453 -0.236 -3.104) 3.146 4.657 ( 1.679 -0.485 4.184) 4.534 4.666 ( -4.523 -0.101 1.180) 4.675 4.716 ( 2.744 0.233 -0.933) 2.908 4.822 ( -0.887 -2.381 -0.874) 2.687 4.876 ( 3.351 2.689 0.868) 4.384 5.024 ( 2.977 -3.634 -3.099) 5.628 5.086 ( -1.559 0.782 -4.453) 4.782 5.160 ( -3.686 -1.781 -6.653) 7.812 5.240 ( 0.192 3.455 4.408) 5.605 5.305 ( 0.492 3.109 1.675) 3.566 5.543 ( 0.328 -1.516 2.788) 3.191 5.589 ( 0.368 -1.811 0.957) 2.081 6.495 ( 0.984 0.891 0.241) 1.349 6.530 ( -2.025 0.336 -1.747) 2.696 6.707 ( 1.123 -0.264 -0.394) 1.219 6.757 ( -3.319 -2.047 -2.079) 4.419 8.461 ( -2.854 -2.116 -0.537) 3.594 8.474 ( -0.145 -2.417 -0.726) 2.527 8.663 ( 3.875 1.698 -0.236) 4.237 8.678 ( 0.114 1.428 -1.607) 2.153 8.837 ( 1.419 2.668 -1.088) 3.212 8.891 ( -0.812 0.457 -3.428) 3.553 9.072 ( -0.759 1.183 0.862) 1.649 9.132 ( 3.702 -0.939 -1.640) 4.156 9.474 ( -0.792 0.532 6.180) 6.253 9.519 ( 1.435 -1.300 7.321) 7.573 9.653 ( 0.261 0.682 -0.586) 0.936 9.693 ( -2.096 -0.918 -0.141) 2.293 ======================= Grid point 75 (41/60) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -9.689 4.491 8.585) 13.702 0.936 ( -10.875 6.843 6.982) 14.623 1.097 ( -3.291 -1.518 1.152) 3.803 1.175 ( 1.642 -1.567 0.922) 2.450 1.216 ( 1.383 -1.972 -0.887) 2.567 1.264 ( -3.439 -1.840 4.524) 5.973 1.321 ( -2.028 -3.698 0.383) 4.235 1.381 ( 1.610 -3.126 4.822) 5.968 1.482 ( 0.676 -2.628 -1.465) 3.084 1.532 ( -2.360 0.018 2.237) 3.252 1.547 ( 5.697 5.060 -0.715) 7.653 1.665 ( 1.390 0.501 -1.214) 1.912 1.677 ( -2.228 -0.138 3.496) 4.147 1.699 ( -3.167 3.134 -0.823) 4.531 1.782 ( -0.526 -0.014 -0.903) 1.046 1.796 ( -8.597 3.973 7.679) 12.193 1.865 ( 1.959 -2.709 1.744) 3.770 1.911 ( 1.317 2.391 2.043) 3.409 1.941 ( -2.083 2.766 -4.674) 5.817 1.974 ( 1.503 0.266 3.948) 4.233 2.003 ( 3.766 -2.129 -0.957) 4.431 2.033 ( 0.831 -0.072 -0.304) 0.888 2.115 ( -0.705 0.043 1.252) 1.438 2.165 ( -1.794 -1.408 0.335) 2.305 2.209 ( 1.170 -1.024 1.344) 2.055 2.235 ( 0.614 0.359 -0.817) 1.083 2.247 ( 4.728 -1.059 -0.151) 4.848 2.305 ( 1.074 0.155 -3.209) 3.388 2.346 ( 0.915 0.529 -1.830) 2.113 2.449 ( 1.641 -3.818 0.495) 4.186 2.543 ( -3.726 -4.223 2.569) 6.190 2.571 ( -0.991 -3.550 -2.706) 4.572 2.618 ( -6.232 -4.953 3.093) 8.540 2.670 ( -1.533 -3.577 2.791) 4.789 2.779 ( -1.197 2.175 2.204) 3.320 2.849 ( 0.315 -0.892 0.775) 1.223 2.953 ( 5.546 5.651 -2.497) 8.303 2.969 ( -0.062 3.043 -2.779) 4.122 3.001 ( 1.597 1.073 -4.117) 4.545 3.045 ( 5.034 0.515 -0.561) 5.091 3.210 ( -1.261 0.175 -2.078) 2.437 3.264 ( -0.345 -2.028 1.408) 2.493 3.304 ( 4.878 2.110 -4.238) 6.797 3.358 ( -1.012 0.029 1.807) 2.071 3.400 ( 0.551 1.898 0.909) 2.175 3.459 ( 3.212 -1.007 -4.390) 5.532 3.573 ( 1.925 0.592 -0.486) 2.072 3.596 ( 0.883 0.674 -1.965) 2.257 3.845 ( -0.159 1.529 -0.186) 1.548 3.893 ( 1.031 -0.160 -2.652) 2.850 4.092 ( 0.241 1.082 1.783) 2.099 4.131 ( 0.871 0.947 -0.498) 1.380 4.265 ( -1.993 1.588 -0.105) 2.550 4.344 ( -2.041 0.866 -1.378) 2.611 4.394 ( 1.352 -0.956 -0.361) 1.695 4.436 ( -0.576 -0.050 -2.717) 2.778 4.594 ( -2.885 0.736 0.116) 2.980 4.697 ( -1.822 -2.916 3.335) 4.790 4.727 ( -0.691 1.261 0.382) 1.488 4.835 ( 0.964 -3.107 -0.091) 3.254 4.911 ( 1.104 0.855 -3.941) 4.181 4.961 ( -3.849 -0.359 -5.758) 6.935 5.067 ( 0.933 -0.614 -1.339) 1.744 5.107 ( 3.370 -1.003 0.023) 3.516 5.302 ( 1.353 3.031 2.810) 4.349 5.355 ( 4.263 2.902 2.545) 5.751 5.561 ( -1.208 -2.107 1.308) 2.759 5.593 ( -0.161 -1.613 0.712) 1.771 6.469 ( -1.696 1.491 -0.220) 2.269 6.534 ( 1.440 -0.686 0.536) 1.683 6.690 ( -1.909 0.406 -1.055) 2.219 6.734 ( 1.246 -1.051 1.045) 1.937 8.384 ( -4.476 -1.874 0.668) 4.898 8.468 ( -0.752 -4.296 0.665) 4.412 8.638 ( -0.044 6.499 -3.814) 7.536 8.770 ( 5.888 1.740 0.469) 6.158 8.837 ( -1.151 0.388 -4.509) 4.670 8.889 ( 3.326 0.053 0.031) 3.326 9.052 ( -1.222 2.210 -0.699) 2.620 9.183 ( 2.895 -2.225 -2.384) 4.361 9.521 ( -0.179 1.927 6.107) 6.406 9.590 ( 1.153 -0.367 1.111) 1.642 9.649 ( -1.286 -0.250 -1.549) 2.029 9.694 ( 3.061 -2.638 3.263) 5.194 ======================= Grid point 76 (42/60) ======================= q-point: (-0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -3.593 7.459 12.647) 15.116 0.864 ( -4.194 7.334 15.380) 17.547 1.075 ( 0.160 -1.969 1.307) 2.369 1.180 ( -0.743 0.813 -0.564) 1.237 1.241 ( 0.965 -2.767 1.405) 3.250 1.263 ( -0.930 -5.223 2.591) 5.904 1.329 ( 2.077 -0.001 5.571) 5.945 1.422 ( -3.778 0.960 11.333) 11.984 1.467 ( -2.133 1.432 -0.340) 2.591 1.532 ( 2.025 -3.677 0.353) 4.212 1.604 ( -2.129 -0.113 -2.537) 3.314 1.653 ( 0.903 3.156 -1.960) 3.823 1.688 ( 3.160 -0.466 4.188) 5.267 1.703 ( -2.250 -1.023 4.280) 4.943 1.753 ( -3.380 4.090 9.811) 11.154 1.788 ( 0.164 1.118 1.396) 1.797 1.863 ( 0.313 2.550 -1.714) 3.088 1.891 ( 2.245 -2.173 -3.826) 4.940 1.943 ( 0.537 -0.236 1.010) 1.168 2.000 ( -0.164 0.711 -2.743) 2.839 2.019 ( -0.073 1.075 4.468) 4.596 2.051 ( -1.119 2.867 0.902) 3.207 2.120 ( -0.215 -0.270 0.981) 1.040 2.162 ( 3.148 -2.099 -2.525) 4.549 2.190 ( -1.911 -3.481 -1.488) 4.240 2.245 ( -0.151 0.756 -2.096) 2.234 2.282 ( 1.752 -0.400 0.758) 1.950 2.333 ( -0.696 -2.956 -1.831) 3.546 2.414 ( 4.266 3.415 -1.692) 5.720 2.458 ( -1.750 -10.884 2.795) 11.372 2.502 ( -2.726 -4.043 4.158) 6.408 2.505 ( -0.535 -4.410 1.122) 4.582 2.590 ( -1.040 0.807 0.822) 1.552 2.646 ( 0.415 -1.174 -1.375) 1.855 2.760 ( -3.016 1.712 -0.044) 3.468 2.842 ( -1.201 -1.400 -0.342) 1.876 2.933 ( -1.625 3.141 -1.778) 3.958 2.965 ( -3.313 3.677 -4.088) 6.419 3.031 ( 3.067 4.633 -2.791) 6.218 3.122 ( 1.587 0.679 0.916) 1.954 3.163 ( 2.265 1.791 -3.309) 4.392 3.269 ( -5.813 2.025 -2.435) 6.620 3.304 ( 1.701 -0.522 0.634) 1.889 3.368 ( 4.363 3.124 -3.684) 6.509 3.440 ( 2.362 -1.915 -2.738) 4.091 3.512 ( 5.440 -1.801 -2.894) 6.420 3.583 ( 1.001 0.305 -4.525) 4.645 3.599 ( 2.010 -0.186 1.008) 2.256 3.822 ( -1.131 1.296 -1.066) 2.024 3.867 ( -0.508 0.059 -3.624) 3.660 4.097 ( -0.447 0.019 -0.296) 0.537 4.148 ( 0.704 0.188 0.211) 0.758 4.203 ( -1.961 2.850 -1.294) 3.693 4.290 ( -3.137 -1.631 0.429) 3.561 4.419 ( 0.756 -0.589 0.697) 1.185 4.428 ( 1.203 0.024 0.674) 1.379 4.567 ( 0.018 0.606 -0.509) 0.792 4.640 ( -6.520 -2.939 0.966) 7.216 4.722 ( 1.122 0.796 0.137) 1.383 4.757 ( -4.655 1.528 -0.012) 4.899 4.907 ( 0.332 -0.003 0.998) 1.051 4.951 ( 3.994 -1.108 -3.987) 5.751 5.100 ( 1.946 1.139 0.308) 2.276 5.166 ( 1.617 -0.531 0.566) 1.793 5.327 ( 0.773 3.231 -0.128) 3.324 5.468 ( 2.324 -3.224 -0.599) 4.019 5.542 ( 1.072 0.160 -1.364) 1.742 5.581 ( -0.993 -1.309 -0.564) 1.737 6.503 ( 4.458 -0.947 3.122) 5.524 6.556 ( 0.422 -2.380 0.958) 2.600 6.678 ( 1.171 2.823 0.417) 3.084 6.760 ( -0.051 -1.109 1.573) 1.925 8.319 ( -3.435 0.274 3.196) 4.700 8.466 ( -0.216 -5.502 1.555) 5.722 8.617 ( 0.510 6.681 -2.802) 7.262 8.769 ( -1.041 0.218 -5.971) 6.065 8.872 ( 3.685 2.512 1.101) 4.594 8.956 ( 3.564 0.249 -0.190) 3.578 9.020 ( -1.198 2.005 -1.258) 2.653 9.187 ( -0.032 -2.971 -3.632) 4.692 9.547 ( -2.128 3.326 4.196) 5.762 9.610 ( 1.730 0.372 -1.489) 2.312 9.633 ( 1.085 -0.356 -1.500) 1.885 9.742 ( -1.473 -4.403 -0.146) 4.645 ======================= Grid point 77 (43/60) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -1.848 -4.911 7.617) 9.249 1.030 ( -1.848 4.911 7.617) 9.249 1.088 ( -0.868 -8.357 8.137) 11.696 1.088 ( -0.868 8.357 8.137) 11.696 1.260 ( 1.664 -2.650 1.513) 3.476 1.260 ( 1.664 2.650 1.513) 3.476 1.397 ( 0.519 -1.174 3.061) 3.320 1.397 ( 0.519 1.174 3.061) 3.320 1.523 ( -2.394 -2.384 -5.941) 6.835 1.523 ( -2.394 2.384 -5.941) 6.835 1.570 ( 0.235 -0.845 3.235) 3.351 1.570 ( 0.235 0.845 3.235) 3.351 1.683 ( -0.262 -1.630 -0.485) 1.721 1.683 ( -0.262 1.630 -0.485) 1.721 1.838 ( -0.004 -2.834 -3.507) 4.509 1.838 ( -0.004 2.834 -3.507) 4.509 1.942 ( 2.972 -2.475 10.884) 11.551 1.942 ( 2.972 2.475 10.884) 11.551 2.006 ( -0.094 -3.721 0.761) 3.799 2.006 ( -0.094 3.721 0.761) 3.799 2.060 ( 1.124 -0.954 2.336) 2.763 2.060 ( 1.124 0.954 2.336) 2.763 2.160 ( 0.593 -1.674 3.965) 4.345 2.160 ( 0.593 1.674 3.965) 4.345 2.216 ( -4.118 -0.918 -0.798) 4.294 2.216 ( -4.118 0.918 -0.798) 4.294 2.278 ( 2.281 -4.146 1.697) 5.027 2.278 ( 2.281 4.146 1.697) 5.027 2.366 ( 2.601 -3.262 1.882) 4.577 2.366 ( 2.601 3.262 1.882) 4.577 2.505 ( -1.499 -2.333 3.443) 4.421 2.505 ( -1.499 2.333 3.443) 4.421 2.620 ( 0.682 -3.561 -2.092) 4.186 2.620 ( 0.682 3.561 -2.092) 4.186 2.731 ( -2.443 -3.630 -4.164) 6.040 2.731 ( -2.443 3.630 -4.164) 6.040 2.875 ( -3.723 -1.316 -4.100) 5.692 2.875 ( -3.723 1.316 -4.100) 5.692 3.061 ( -4.342 -3.165 -2.065) 5.757 3.061 ( -4.342 3.165 -2.065) 5.757 3.242 ( 2.174 -2.356 -1.216) 3.428 3.242 ( 2.174 2.356 -1.216) 3.428 3.356 ( 0.512 -2.602 -5.810) 6.386 3.356 ( 0.512 2.602 -5.810) 6.386 3.482 ( 0.803 -4.025 -4.084) 5.791 3.482 ( 0.803 4.025 -4.084) 5.791 3.627 ( 2.969 -2.149 0.853) 3.763 3.627 ( 2.969 2.149 0.853) 3.763 3.829 ( 0.001 -1.415 -1.313) 1.930 3.829 ( 0.001 1.415 -1.313) 1.930 4.084 ( -2.585 -2.138 -0.487) 3.390 4.084 ( -2.585 2.138 -0.487) 3.390 4.242 ( 1.714 -0.937 0.228) 1.966 4.242 ( 1.714 0.937 0.228) 1.966 4.458 ( 1.221 -0.807 1.707) 2.249 4.458 ( 1.221 0.807 1.707) 2.249 4.572 ( -0.550 -1.387 0.016) 1.492 4.572 ( -0.550 1.387 0.016) 1.492 4.747 ( 0.208 -2.005 0.801) 2.169 4.747 ( 0.208 2.005 0.801) 2.169 4.929 ( -0.090 -1.795 -0.165) 1.805 4.929 ( -0.090 1.795 -0.165) 1.805 5.170 ( 1.402 -1.068 -0.445) 1.817 5.170 ( 1.402 1.068 -0.445) 1.817 5.383 ( -2.066 -2.070 0.373) 2.948 5.383 ( -2.066 2.070 0.373) 2.948 5.543 ( 0.942 -2.431 -3.894) 4.686 5.543 ( 0.942 2.431 -3.894) 4.686 6.553 ( 1.036 -1.493 1.845) 2.590 6.553 ( 1.036 1.493 1.845) 2.590 6.749 ( 0.904 -1.171 0.322) 1.514 6.749 ( 0.904 1.171 0.322) 1.514 8.396 ( 1.327 -3.913 3.548) 5.447 8.396 ( 1.327 3.913 3.548) 5.447 8.674 ( -0.917 -2.965 -4.569) 5.524 8.674 ( -0.917 2.965 -4.569) 5.524 8.971 ( 1.246 -1.575 -0.446) 2.057 8.971 ( 1.246 1.575 -0.446) 2.057 9.073 ( -0.585 -3.590 -2.043) 4.172 9.073 ( -0.585 3.590 -2.043) 4.172 9.576 ( -5.100 -3.004 1.632) 6.140 9.576 ( -5.100 3.004 1.632) 6.140 9.650 ( 1.757 -1.102 -1.087) 2.341 9.650 ( 1.757 1.102 -1.087) 2.341 ======================= Grid point 79 (44/60) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -3.398 -5.923 5.950) 9.057 1.018 ( -3.398 5.923 5.950) 9.057 1.193 ( 3.623 -4.979 5.437) 8.214 1.193 ( 3.623 4.979 5.437) 8.214 1.302 ( 0.409 -3.454 2.822) 4.479 1.302 ( 0.409 3.454 2.822) 4.479 1.413 ( 1.223 -2.124 -2.888) 3.788 1.413 ( 1.223 2.124 -2.888) 3.788 1.479 ( 0.560 -2.321 0.571) 2.455 1.479 ( 0.560 2.321 0.571) 2.455 1.572 ( -1.488 -2.660 -1.296) 3.312 1.572 ( -1.488 2.660 -1.296) 3.312 1.683 ( -0.644 -1.988 1.273) 2.447 1.683 ( -0.644 1.988 1.273) 2.447 1.790 ( -0.244 -3.057 -2.592) 4.015 1.790 ( -0.244 3.057 -2.592) 4.015 1.930 ( -4.818 -3.140 0.024) 5.751 1.930 ( -4.818 3.140 0.024) 5.751 2.024 ( -5.053 -4.163 1.081) 6.635 2.024 ( -5.053 4.163 1.081) 6.635 2.099 ( -0.677 -0.946 -0.493) 1.263 2.099 ( -0.677 0.946 -0.493) 1.263 2.146 ( -0.217 -1.858 1.081) 2.161 2.146 ( -0.217 1.858 1.081) 2.161 2.238 ( 1.270 -2.566 3.257) 4.337 2.238 ( 1.270 2.566 3.257) 4.337 2.309 ( 2.471 -0.564 -0.138) 2.538 2.309 ( 2.471 0.564 -0.138) 2.538 2.435 ( -1.710 -3.831 4.034) 5.820 2.435 ( -1.710 3.831 4.034) 5.820 2.522 ( 0.289 -4.588 2.806) 5.386 2.522 ( 0.289 4.588 2.806) 5.386 2.647 ( 4.996 -3.098 3.095) 6.644 2.647 ( 4.996 3.098 3.095) 6.644 2.730 ( 4.358 -1.794 1.777) 5.037 2.730 ( 4.358 1.794 1.777) 5.037 2.788 ( -1.433 -1.569 -3.000) 3.677 2.788 ( -1.433 1.569 -3.000) 3.677 2.963 ( -5.345 -4.542 0.855) 7.066 2.963 ( -5.345 4.542 0.855) 7.066 3.237 ( -1.688 -1.847 -1.666) 3.006 3.237 ( -1.688 1.847 -1.666) 3.006 3.303 ( 0.524 -3.680 -6.250) 7.272 3.303 ( 0.524 3.680 -6.250) 7.272 3.484 ( 2.294 -3.909 -3.334) 5.627 3.484 ( 2.294 3.909 -3.334) 5.627 3.635 ( -2.101 -1.758 -1.660) 3.203 3.635 ( -2.101 1.758 -1.660) 3.203 3.819 ( -0.144 -2.762 -0.330) 2.785 3.819 ( -0.144 2.762 -0.330) 2.785 4.052 ( -0.566 -3.498 0.709) 3.613 4.052 ( -0.566 3.498 0.709) 3.613 4.281 ( 1.926 -1.362 -0.670) 2.452 4.281 ( 1.926 1.362 -0.670) 2.452 4.484 ( 0.493 -0.547 0.103) 0.744 4.484 ( 0.493 0.547 0.103) 0.744 4.580 ( 0.831 -2.598 0.996) 2.904 4.580 ( 0.831 2.598 0.996) 2.904 4.765 ( 1.021 -3.961 0.528) 4.125 4.765 ( 1.021 3.961 0.528) 4.125 4.916 ( -0.865 -2.486 -0.467) 2.674 4.916 ( -0.865 2.486 -0.467) 2.674 5.194 ( 1.613 -0.410 -0.658) 1.790 5.194 ( 1.613 0.410 -0.658) 1.790 5.337 ( -3.033 -0.607 0.570) 3.145 5.337 ( -3.033 0.607 0.570) 3.145 5.530 ( 1.026 -2.007 -3.113) 3.843 5.530 ( 1.026 2.007 -3.113) 3.843 6.561 ( -1.037 -2.622 0.224) 2.828 6.561 ( -1.037 2.622 0.224) 2.828 6.763 ( 0.265 -3.960 -0.404) 3.990 6.763 ( 0.265 3.960 -0.404) 3.990 8.453 ( 1.702 -1.080 1.295) 2.396 8.453 ( 1.702 1.080 1.295) 2.396 8.629 ( -0.366 -1.930 -2.020) 2.818 8.629 ( -0.366 1.930 -2.020) 2.818 8.963 ( -1.072 -0.902 -1.035) 1.742 8.963 ( -1.072 0.902 -1.035) 1.742 9.062 ( 0.783 -1.359 -1.089) 1.910 9.062 ( 0.783 1.359 -1.089) 1.910 9.495 ( -4.881 -0.802 3.386) 5.994 9.495 ( -4.881 0.802 3.386) 5.994 9.676 ( 1.226 -1.348 -0.184) 1.831 9.676 ( 1.226 1.348 -0.184) 1.831 ======================= Grid point 81 (45/60) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -1.641 -3.704 3.818) 5.567 1.015 ( -1.641 3.704 3.818) 5.567 1.256 ( -0.016 -1.737 1.231) 2.129 1.256 ( -0.016 1.737 1.231) 2.129 1.318 ( -1.583 -3.158 1.565) 3.863 1.318 ( -1.583 3.158 1.565) 3.863 1.405 ( -0.958 -2.392 -6.297) 6.803 1.405 ( -0.958 2.392 -6.297) 6.803 1.456 ( -1.944 -3.491 -1.057) 4.133 1.456 ( -1.944 3.491 -1.057) 4.133 1.556 ( 2.453 -3.419 3.796) 5.666 1.556 ( 2.453 3.419 3.796) 5.666 1.712 ( 0.974 -1.378 3.683) 4.051 1.712 ( 0.974 1.378 3.683) 4.051 1.807 ( 1.032 -2.154 -0.518) 2.444 1.807 ( 1.032 2.154 -0.518) 2.444 1.833 ( -1.877 -2.779 -2.149) 3.983 1.833 ( -1.877 2.779 -2.149) 3.983 1.926 ( -5.105 -3.772 -0.038) 6.348 1.926 ( -5.105 3.772 -0.038) 6.348 2.019 ( -3.558 -2.761 -1.739) 4.828 2.019 ( -3.558 2.761 -1.739) 4.828 2.156 ( 1.522 -0.876 0.285) 1.779 2.156 ( 1.522 0.876 0.285) 1.779 2.268 ( -0.305 -2.898 0.933) 3.059 2.268 ( -0.305 2.898 0.933) 3.059 2.330 ( -1.485 -3.302 -1.667) 3.986 2.330 ( -1.485 3.302 -1.667) 3.986 2.417 ( -0.506 -5.350 1.099) 5.485 2.417 ( -0.506 5.350 1.099) 5.485 2.542 ( 0.869 -3.845 -1.222) 4.127 2.542 ( 0.869 3.845 -1.222) 4.127 2.681 ( -3.908 -4.634 4.279) 7.420 2.681 ( -3.908 4.634 4.279) 7.420 2.807 ( 2.309 -2.031 1.710) 3.519 2.807 ( 2.309 2.031 1.710) 3.519 2.874 ( -1.763 -2.975 -0.682) 3.525 2.874 ( -1.763 2.975 -0.682) 3.525 2.963 ( 8.488 -4.250 9.373) 13.340 2.963 ( 8.488 4.250 9.373) 13.340 3.162 ( -2.889 -1.843 -0.889) 3.540 3.162 ( -2.889 1.843 -0.889) 3.540 3.306 ( 3.198 -2.956 -3.903) 5.848 3.306 ( 3.198 2.956 -3.903) 5.848 3.462 ( -2.222 -0.682 -2.743) 3.595 3.462 ( -2.222 0.682 -2.743) 3.595 3.576 ( -0.085 -0.694 -3.597) 3.665 3.576 ( -0.085 0.694 -3.597) 3.665 3.830 ( 1.234 -2.558 0.470) 2.879 3.830 ( 1.234 2.558 0.470) 2.879 4.067 ( 0.571 -3.619 2.153) 4.250 4.067 ( 0.571 3.619 2.153) 4.250 4.301 ( 1.186 -2.337 -1.014) 2.810 4.301 ( 1.186 2.337 -1.014) 2.810 4.479 ( -0.230 -1.659 -1.746) 2.419 4.479 ( -0.230 1.659 -1.746) 2.419 4.612 ( 1.054 -2.378 2.399) 3.539 4.612 ( 1.054 2.378 2.399) 3.539 4.783 ( -0.130 -3.571 0.007) 3.573 4.783 ( -0.130 3.571 0.007) 3.573 4.905 ( 1.176 -4.213 -1.027) 4.493 4.905 ( 1.176 4.213 -1.027) 4.493 5.201 ( -0.253 -2.079 -3.297) 3.906 5.201 ( -0.253 2.079 -3.297) 3.906 5.292 ( -1.761 -1.894 1.744) 3.119 5.292 ( -1.761 1.894 1.744) 3.119 5.533 ( 0.741 -1.395 -0.474) 1.649 5.533 ( 0.741 1.395 -0.474) 1.649 6.536 ( -0.985 -2.878 -0.508) 3.084 6.536 ( -0.985 2.878 -0.508) 3.084 6.748 ( -0.998 -3.912 -1.050) 4.172 6.748 ( -0.998 3.912 -1.050) 4.172 8.468 ( 0.007 -1.308 -1.127) 1.727 8.468 ( 0.007 1.308 -1.127) 1.727 8.636 ( 1.529 -0.826 0.549) 1.823 8.636 ( 1.529 0.826 0.549) 1.823 8.925 ( -1.252 -1.547 -2.241) 2.997 8.925 ( -1.252 1.547 -2.241) 2.997 9.078 ( 1.401 -0.865 -0.384) 1.691 9.078 ( 1.401 0.865 -0.384) 1.691 9.460 ( -2.505 -0.201 5.432) 5.985 9.460 ( -2.505 0.201 5.432) 5.985 9.686 ( -0.193 -1.659 0.134) 1.675 9.686 ( -0.193 1.659 0.134) 1.675 ======================= Grid point 83 (46/60) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -3.095 -3.324 3.705) 5.862 1.004 ( -3.095 3.324 3.705) 5.862 1.199 ( -3.534 -1.566 -3.571) 5.262 1.199 ( -3.534 1.566 -3.571) 5.262 1.272 ( -5.419 -4.378 2.746) 7.488 1.272 ( -5.419 4.378 2.746) 7.488 1.325 ( -2.233 -1.170 0.932) 2.688 1.325 ( -2.233 1.170 0.932) 2.688 1.514 ( 6.258 -2.607 -1.692) 6.988 1.514 ( 6.258 2.607 -1.692) 6.988 1.548 ( -4.051 -3.636 0.135) 5.445 1.548 ( -4.051 3.636 0.135) 5.445 1.730 ( -1.860 -1.003 0.076) 2.115 1.730 ( -1.860 1.003 0.076) 2.115 1.817 ( 3.290 -2.402 1.761) 4.438 1.817 ( 3.290 2.402 1.761) 4.438 1.858 ( 0.188 -2.114 1.182) 2.429 1.858 ( 0.188 2.114 1.182) 2.429 1.899 ( 4.094 -1.786 -2.419) 5.080 1.899 ( 4.094 1.786 -2.419) 5.080 1.978 ( -1.738 -1.823 3.105) 3.997 1.978 ( -1.738 1.823 3.105) 3.997 2.180 ( -0.679 -1.064 3.544) 3.763 2.180 ( -0.679 1.064 3.544) 3.763 2.252 ( -1.105 -2.708 -0.896) 3.059 2.252 ( -1.105 2.708 -0.896) 3.059 2.288 ( -0.600 -2.368 -2.205) 3.290 2.288 ( -0.600 2.368 -2.205) 3.290 2.380 ( -2.166 -4.073 -4.500) 6.444 2.380 ( -2.166 4.073 -4.500) 6.444 2.561 ( -0.642 -2.814 5.586) 6.287 2.561 ( -0.642 2.814 5.586) 6.287 2.615 ( -5.245 -2.931 2.287) 6.429 2.615 ( -5.245 2.931 2.287) 6.429 2.814 ( -0.271 -0.525 2.289) 2.364 2.814 ( -0.271 0.525 2.289) 2.364 2.915 ( 5.386 -1.743 -4.601) 7.295 2.915 ( 5.386 1.743 -4.601) 7.295 3.054 ( -0.312 -0.537 -1.961) 2.057 3.054 ( -0.312 0.537 -1.961) 2.057 3.206 ( 2.560 -0.650 3.238) 4.179 3.206 ( 2.560 0.650 3.238) 4.179 3.320 ( 0.822 -0.877 -0.471) 1.291 3.320 ( 0.822 0.877 -0.471) 1.291 3.426 ( 0.763 -1.755 -0.595) 2.004 3.426 ( 0.763 1.755 -0.595) 2.004 3.569 ( 1.717 -1.311 -2.429) 3.251 3.569 ( 1.717 1.311 -2.429) 3.251 3.862 ( 1.687 -1.659 -0.190) 2.374 3.862 ( 1.687 1.659 -0.190) 2.374 4.099 ( 0.269 -2.197 3.133) 3.836 4.099 ( 0.269 2.197 3.133) 3.836 4.316 ( 1.336 -2.768 -1.555) 3.445 4.316 ( 1.336 2.768 -1.555) 3.445 4.449 ( -0.775 -2.343 -2.539) 3.541 4.449 ( -0.775 2.343 -2.539) 3.541 4.653 ( -0.381 -0.580 3.761) 3.824 4.653 ( -0.381 0.580 3.761) 3.824 4.760 ( -0.446 -3.448 -1.363) 3.734 4.760 ( -0.446 3.448 -1.363) 3.734 4.946 ( 2.937 -4.063 -0.456) 5.034 4.946 ( 2.937 4.063 -0.456) 5.034 5.117 ( -3.182 -2.215 -5.901) 7.061 5.117 ( -3.182 2.215 -5.901) 7.061 5.312 ( 0.911 -2.682 3.387) 4.415 5.312 ( 0.911 2.682 3.387) 4.415 5.545 ( 0.307 -1.965 0.717) 2.114 5.545 ( 0.307 1.965 0.717) 2.114 6.520 ( -0.513 -1.294 -0.230) 1.411 6.520 ( -0.513 1.294 -0.230) 1.411 6.717 ( -0.885 -1.509 -1.138) 2.088 6.717 ( -0.885 1.509 -1.138) 2.088 8.442 ( -1.993 -0.444 -0.338) 2.070 8.442 ( -1.993 0.444 -0.338) 2.070 8.686 ( 3.576 -0.485 -0.547) 3.650 8.686 ( 3.576 0.485 -0.547) 3.650 8.884 ( -0.766 -1.506 -2.551) 3.060 8.884 ( -0.766 1.506 -2.551) 3.060 9.104 ( 1.737 -1.788 -0.931) 2.661 9.104 ( 1.737 1.788 -0.931) 2.661 9.492 ( 0.224 -1.240 6.822) 6.937 9.492 ( 0.224 1.240 6.822) 6.937 9.672 ( -0.981 -1.120 -0.511) 1.574 9.672 ( -0.981 1.120 -0.511) 1.574 ======================= Grid point 85 (47/60) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -4.367 -8.346 6.129) 11.238 0.966 ( -4.367 8.346 6.129) 11.238 1.109 ( -8.210 -7.815 7.591) 13.642 1.109 ( -8.210 7.815 7.591) 13.642 1.196 ( 0.763 -1.152 -3.302) 3.579 1.196 ( 0.763 1.152 -3.302) 3.579 1.328 ( -0.004 -2.218 3.413) 4.071 1.328 ( -0.004 2.218 3.413) 4.071 1.480 ( -0.657 -2.439 -1.536) 2.956 1.480 ( -0.657 2.439 -1.536) 2.956 1.648 ( 4.514 -2.429 2.177) 5.569 1.648 ( 4.514 2.429 2.177) 5.569 1.700 ( -1.427 -2.224 0.780) 2.756 1.700 ( -1.427 2.224 0.780) 2.756 1.827 ( 0.006 -0.490 -2.760) 2.803 1.827 ( 0.006 0.490 -2.760) 2.803 1.892 ( 1.871 -7.044 1.080) 7.368 1.892 ( 1.871 7.044 1.080) 7.368 1.954 ( -0.688 -2.290 4.842) 5.400 1.954 ( -0.688 2.290 4.842) 5.400 2.004 ( 1.270 -3.322 -1.085) 3.718 2.004 ( 1.270 3.322 -1.085) 3.718 2.144 ( -4.361 -0.812 0.953) 4.538 2.144 ( -4.361 0.812 0.953) 4.538 2.226 ( -2.417 -1.754 -1.637) 3.406 2.226 ( -2.417 1.754 -1.637) 3.406 2.268 ( 2.172 -3.458 -0.785) 4.159 2.268 ( 2.172 3.458 -0.785) 4.159 2.360 ( 3.364 -2.002 0.580) 3.958 2.360 ( 3.364 2.002 0.580) 3.958 2.507 ( -4.660 -2.685 -2.009) 5.741 2.507 ( -4.660 2.685 -2.009) 5.741 2.610 ( -1.267 -2.436 5.002) 5.706 2.610 ( -1.267 2.436 5.002) 5.706 2.825 ( -0.468 -1.882 1.227) 2.295 2.825 ( -0.468 1.882 1.227) 2.295 2.992 ( 4.557 -0.496 -3.756) 5.926 2.992 ( 4.557 0.496 -3.756) 5.926 3.043 ( 2.723 -1.420 -0.810) 3.176 3.043 ( 2.723 1.420 -0.810) 3.176 3.223 ( -0.498 -1.481 -0.326) 1.596 3.223 ( -0.498 1.481 -0.326) 1.596 3.353 ( 2.757 -1.700 -1.384) 3.522 3.353 ( 2.757 1.700 -1.384) 3.522 3.430 ( 0.034 -1.373 -1.595) 2.105 3.430 ( 0.034 1.373 -1.595) 2.105 3.592 ( 1.860 -0.995 -1.713) 2.718 3.592 ( 1.860 0.995 -1.713) 2.718 3.878 ( 0.497 -1.433 -1.596) 2.202 3.878 ( 0.497 1.433 -1.596) 2.202 4.124 ( -0.199 -1.570 2.007) 2.556 4.124 ( -0.199 1.570 2.007) 2.556 4.311 ( -0.545 -2.952 -2.355) 3.816 4.311 ( -0.545 2.952 -2.355) 3.816 4.418 ( -0.446 -1.869 -1.458) 2.412 4.418 ( -0.446 1.869 -1.458) 2.412 4.630 ( -3.485 -2.990 1.657) 4.881 4.630 ( -3.485 2.990 1.657) 4.881 4.771 ( 0.474 -3.037 0.610) 3.134 4.771 ( 0.474 3.037 0.610) 3.134 4.942 ( -1.503 -1.809 -3.874) 4.532 4.942 ( -1.503 1.809 -3.874) 4.532 5.076 ( 2.863 -1.504 -0.334) 3.251 5.076 ( 2.863 1.504 -0.334) 3.251 5.365 ( 1.712 -2.353 2.212) 3.655 5.365 ( 1.712 2.353 2.212) 3.655 5.553 ( 0.024 -1.645 0.451) 1.706 5.553 ( 0.024 1.645 0.451) 1.706 6.506 ( -0.820 -1.934 0.249) 2.116 6.506 ( -0.820 1.934 0.249) 2.116 6.708 ( 0.522 -1.356 -0.022) 1.453 6.708 ( 0.522 1.356 -0.022) 1.453 8.394 ( -2.987 -2.532 1.062) 4.057 8.394 ( -2.987 2.532 1.062) 4.057 8.743 ( 3.272 -3.801 -4.085) 6.469 8.743 ( 3.272 3.801 -4.085) 6.469 8.869 ( 1.223 -1.910 -0.142) 2.272 8.869 ( 1.223 1.910 -0.142) 2.272 9.120 ( 1.013 -3.889 -2.001) 4.490 9.120 ( 1.013 3.889 -2.001) 4.490 9.567 ( 1.544 -2.173 4.984) 5.652 9.567 ( 1.544 2.173 4.984) 5.652 9.653 ( -0.244 -0.969 -0.442) 1.093 9.653 ( -0.244 0.969 -0.442) 1.093 ======================= Grid point 87 (48/60) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -1.143 -5.812 8.083) 10.021 0.978 ( -1.143 5.812 8.083) 10.021 1.059 ( -4.237 -8.992 10.605) 14.535 1.059 ( -4.237 8.992 10.605) 14.535 1.225 ( 2.299 -1.503 -0.745) 2.846 1.225 ( 2.299 1.503 -0.745) 2.846 1.359 ( -0.034 -3.459 3.953) 5.253 1.359 ( -0.034 3.459 3.953) 5.253 1.501 ( 2.919 -1.291 0.806) 3.292 1.501 ( 2.919 1.291 0.806) 3.292 1.648 ( -3.764 -3.322 -1.187) 5.158 1.648 ( -3.764 3.322 -1.187) 5.158 1.690 ( -1.486 -0.369 0.787) 1.722 1.690 ( -1.486 0.369 0.787) 1.722 1.816 ( 0.928 -1.790 -0.525) 2.084 1.816 ( 0.928 1.790 -0.525) 2.084 1.906 ( -4.433 -6.758 3.265) 8.717 1.906 ( -4.433 6.758 3.265) 8.717 1.972 ( 3.350 -5.374 1.241) 6.453 1.972 ( 3.350 5.374 1.241) 6.453 2.020 ( 1.568 -0.735 2.927) 3.401 2.020 ( 1.568 0.735 2.927) 3.401 2.122 ( -0.572 -3.431 0.483) 3.512 2.122 ( -0.572 3.431 0.483) 3.512 2.209 ( 1.736 -5.670 0.676) 5.969 2.209 ( 1.736 5.670 0.676) 5.969 2.276 ( -0.128 -3.162 -0.811) 3.267 2.276 ( -0.128 3.162 -0.811) 3.267 2.384 ( -2.317 -5.068 -3.784) 6.736 2.384 ( -2.317 5.068 -3.784) 6.736 2.482 ( 1.839 -1.691 3.847) 4.587 2.482 ( 1.839 1.691 3.847) 4.587 2.610 ( -0.202 -1.822 0.426) 1.882 2.610 ( -0.202 1.822 0.426) 1.882 2.806 ( -2.118 -2.302 -0.742) 3.215 2.806 ( -2.118 2.302 -0.742) 3.215 2.977 ( -2.388 -1.337 -3.042) 4.092 2.977 ( -2.388 1.337 -3.042) 4.092 3.119 ( 1.786 -2.260 -1.080) 3.076 3.119 ( 1.786 2.260 -1.080) 3.076 3.208 ( 1.036 -3.819 -1.766) 4.333 3.208 ( 1.036 3.819 -1.766) 4.333 3.379 ( 0.722 -4.582 -2.580) 5.307 3.379 ( 0.722 4.582 -2.580) 5.307 3.448 ( 5.352 -4.199 -2.911) 7.400 3.448 ( 5.352 4.199 -2.911) 7.400 3.594 ( 0.518 -0.557 -2.215) 2.342 3.594 ( 0.518 0.557 -2.215) 2.342 3.853 ( -0.989 -1.447 -2.199) 2.811 3.853 ( -0.989 1.447 -2.199) 2.811 4.125 ( -0.479 -2.131 -0.622) 2.271 4.125 ( -0.479 2.131 -0.622) 2.271 4.252 ( -2.873 -2.274 -0.915) 3.776 4.252 ( -2.873 2.274 -0.915) 3.776 4.421 ( 0.887 -0.587 1.302) 1.681 4.421 ( 0.887 0.587 1.302) 1.681 4.591 ( -1.683 -1.883 0.951) 2.698 4.591 ( -1.683 1.883 0.951) 2.698 4.754 ( -1.493 -1.770 0.124) 2.320 4.754 ( -1.493 1.770 0.124) 2.320 4.921 ( 1.090 -1.592 -1.008) 2.177 4.921 ( 1.090 1.592 -1.008) 2.177 5.137 ( 2.450 -2.103 0.300) 3.243 5.137 ( 2.450 2.103 0.300) 3.243 5.398 ( 0.516 -3.714 0.042) 3.750 5.398 ( 0.516 3.714 0.042) 3.750 5.554 ( 0.315 -1.166 -1.248) 1.737 5.554 ( 0.315 1.166 -1.248) 1.737 6.511 ( 0.836 -1.705 1.763) 2.591 6.511 ( 0.836 1.705 1.763) 2.591 6.728 ( 0.892 -2.132 0.713) 2.418 6.728 ( 0.892 2.132 0.713) 2.418 8.366 ( -1.284 -4.133 2.852) 5.183 8.366 ( -1.284 4.133 2.852) 5.183 8.727 ( 0.073 -4.034 -5.449) 6.780 8.727 ( 0.073 4.034 -5.449) 6.780 8.924 ( 3.288 -2.495 0.385) 4.145 8.924 ( 3.288 2.495 0.385) 4.145 9.106 ( -0.408 -5.006 -2.463) 5.594 9.106 ( -0.408 5.006 -2.463) 5.594 9.610 ( 0.637 -1.310 0.661) 1.600 9.610 ( 0.637 1.310 0.661) 1.600 9.650 ( -0.879 -3.745 0.345) 3.862 9.650 ( -0.879 3.745 0.345) 3.862 ======================= Grid point 95 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -1.051 0.000 -5.345) 5.447 0.980 ( 1.051 0.000 5.345) 5.447 1.127 ( 1.271 0.000 -1.695) 2.118 1.127 ( -1.271 0.000 1.695) 2.118 1.327 ( -1.646 0.000 -10.407) 10.536 1.327 ( 1.646 0.000 10.407) 10.536 1.411 ( -0.855 0.000 -2.079) 2.248 1.411 ( 0.855 0.000 2.079) 2.248 1.592 ( 1.724 0.000 -4.764) 5.066 1.592 ( -1.724 0.000 4.764) 5.066 1.660 ( 0.748 0.000 -2.335) 2.452 1.660 ( -0.748 0.000 2.335) 2.452 1.771 ( 1.130 0.000 -2.193) 2.467 1.771 ( -1.130 0.000 2.193) 2.467 1.804 ( -4.921 0.000 0.036) 4.921 1.804 ( 4.921 0.000 -0.036) 4.921 1.911 ( -6.502 0.000 -1.864) 6.763 1.911 ( 6.502 0.000 1.864) 6.763 1.978 ( 1.121 0.000 -4.796) 4.926 1.978 ( -1.121 0.000 4.796) 4.926 2.105 ( -0.157 0.000 -2.619) 2.624 2.105 ( 0.157 0.000 2.619) 2.624 2.195 ( 0.262 0.000 -3.269) 3.279 2.195 ( -0.262 0.000 3.269) 3.279 2.243 ( 2.934 0.000 -1.543) 3.315 2.243 ( -2.934 0.000 1.543) 3.315 2.316 ( -1.455 0.000 -2.865) 3.214 2.316 ( 1.455 0.000 2.865) 3.214 2.365 ( -1.448 0.000 -13.138) 13.217 2.365 ( 1.448 0.000 13.138) 13.217 2.550 ( 2.610 0.000 -5.418) 6.014 2.550 ( -2.610 0.000 5.418) 6.014 2.654 ( -2.357 0.000 0.574) 2.426 2.654 ( 2.357 0.000 -0.574) 2.426 2.708 ( -0.791 0.000 -8.948) 8.983 2.708 ( 0.791 0.000 8.948) 8.983 2.903 ( -3.875 0.000 -0.523) 3.910 2.903 ( 3.875 0.000 0.523) 3.910 2.997 ( -7.003 0.000 0.166) 7.005 2.997 ( 7.003 0.000 -0.166) 7.005 3.075 ( 4.406 0.000 -3.608) 5.694 3.075 ( -4.406 0.000 3.608) 5.694 3.342 ( 0.361 0.000 -4.594) 4.608 3.342 ( -0.361 0.000 4.594) 4.608 3.433 ( -1.279 0.000 -3.903) 4.107 3.433 ( 1.279 0.000 3.903) 4.107 3.607 ( -6.266 0.000 -0.646) 6.299 3.607 ( 6.266 0.000 0.646) 6.299 3.826 ( 2.759 0.000 -1.376) 3.083 3.826 ( -2.759 0.000 1.376) 3.083 4.110 ( 4.608 0.000 -2.257) 5.132 4.110 ( -4.608 0.000 2.257) 5.132 4.254 ( -3.650 0.000 -0.708) 3.718 4.254 ( 3.650 0.000 0.708) 3.718 4.451 ( -0.810 0.000 0.165) 0.827 4.451 ( 0.810 0.000 -0.165) 0.827 4.548 ( 1.652 0.000 -1.275) 2.087 4.548 ( -1.652 0.000 1.275) 2.087 4.745 ( 5.422 0.000 -4.065) 6.777 4.745 ( -5.422 0.000 4.065) 6.777 4.940 ( 1.688 0.000 -0.989) 1.957 4.940 ( -1.688 0.000 0.989) 1.957 5.149 ( -2.657 0.000 -0.840) 2.787 5.149 ( 2.657 0.000 0.840) 2.787 5.368 ( -3.393 0.000 -3.402) 4.805 5.368 ( 3.393 0.000 3.402) 4.805 5.514 ( 1.071 0.000 -3.675) 3.828 5.514 ( -1.071 0.000 3.675) 3.828 6.609 ( 0.114 0.000 -0.201) 0.231 6.609 ( -0.114 0.000 0.201) 0.231 6.777 ( -7.130 0.000 1.980) 7.400 6.777 ( 7.130 0.000 -1.980) 7.400 8.436 ( -2.139 0.000 -5.036) 5.471 8.436 ( 2.139 0.000 5.036) 5.471 8.617 ( 0.474 0.000 -2.510) 2.555 8.617 ( -0.474 0.000 2.510) 2.555 8.984 ( -1.045 0.000 -0.821) 1.329 8.984 ( 1.045 0.000 0.821) 1.329 9.011 ( -3.130 0.000 -6.007) 6.774 9.011 ( 3.130 0.000 6.007) 6.774 9.568 ( 2.224 0.000 -2.976) 3.715 9.568 ( -2.224 0.000 2.976) 3.715 9.659 ( -4.542 0.000 0.296) 4.552 9.659 ( 4.542 0.000 -0.296) 4.552 ======================= Grid point 97 (50/60) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 5.481 0.000 -5.773) 7.960 1.071 ( 3.893 0.000 1.707) 4.251 1.092 ( -2.317 0.000 -0.096) 2.319 1.119 ( -0.098 0.000 -0.755) 0.762 1.209 ( -1.804 0.000 -8.551) 8.739 1.384 ( 0.230 0.000 -2.480) 2.491 1.398 ( -3.824 0.000 0.737) 3.895 1.443 ( -1.636 0.000 7.165) 7.349 1.550 ( -1.607 0.000 0.179) 1.617 1.570 ( 1.263 0.000 -2.652) 2.937 1.638 ( -0.295 0.000 -0.389) 0.488 1.645 ( -2.247 0.000 -2.910) 3.676 1.674 ( -3.719 0.000 -2.959) 4.752 1.772 ( 0.127 0.000 0.921) 0.930 1.779 ( -0.496 0.000 1.690) 1.761 1.819 ( -2.422 0.000 2.625) 3.571 1.877 ( -0.551 0.000 -0.879) 1.038 1.927 ( -4.144 0.000 -3.073) 5.159 1.960 ( 1.131 0.000 -2.547) 2.787 1.989 ( -0.163 0.000 -2.736) 2.741 2.067 ( -1.519 0.000 3.404) 3.728 2.114 ( -0.518 0.000 0.335) 0.616 2.145 ( -1.402 0.000 -5.055) 5.246 2.188 ( 0.953 0.000 -10.798) 10.840 2.198 ( 0.204 0.000 0.343) 0.399 2.247 ( 2.276 0.000 3.435) 4.120 2.286 ( -2.730 0.000 2.397) 3.633 2.301 ( 3.071 0.000 -4.474) 5.427 2.402 ( 1.832 0.000 0.582) 1.923 2.453 ( 0.195 0.000 2.156) 2.165 2.573 ( 1.908 0.000 -0.972) 2.142 2.614 ( 1.105 0.000 -0.254) 1.134 2.669 ( 3.052 0.000 7.538) 8.133 2.686 ( 3.249 0.000 -2.024) 3.827 2.691 ( 1.073 0.000 3.235) 3.408 2.796 ( 1.056 0.000 3.527) 3.681 2.845 ( -2.157 0.000 0.734) 2.278 2.914 ( -1.074 0.000 2.443) 2.668 2.965 ( 3.163 0.000 -7.013) 7.693 3.018 ( -5.302 0.000 4.681) 7.073 3.129 ( 4.970 0.000 2.937) 5.773 3.174 ( 5.939 0.000 0.507) 5.961 3.294 ( -2.088 0.000 -0.954) 2.296 3.341 ( -1.659 0.000 0.897) 1.886 3.391 ( -1.128 0.000 1.284) 1.709 3.474 ( -6.457 0.000 1.753) 6.691 3.487 ( 1.225 0.000 2.116) 2.445 3.655 ( -2.976 0.000 -2.581) 3.939 3.778 ( -0.417 0.000 3.270) 3.296 3.821 ( -0.691 0.000 -1.363) 1.528 4.050 ( -3.329 0.000 3.126) 4.567 4.157 ( 1.494 0.000 -1.590) 2.181 4.210 ( 0.895 0.000 -2.327) 2.494 4.331 ( 3.157 0.000 -0.293) 3.170 4.436 ( -1.107 0.000 -0.898) 1.426 4.436 ( -0.497 0.000 -0.731) 0.884 4.561 ( 1.782 0.000 -0.155) 1.789 4.644 ( 7.769 0.000 1.387) 7.892 4.689 ( -3.351 0.000 3.242) 4.663 4.811 ( 4.945 0.000 -4.898) 6.960 4.883 ( -5.021 0.000 1.166) 5.155 4.939 ( -0.160 0.000 -1.500) 1.508 5.101 ( -1.483 0.000 -1.119) 1.858 5.198 ( 1.630 0.000 -0.587) 1.733 5.285 ( -3.109 0.000 -0.447) 3.141 5.420 ( -3.188 0.000 5.198) 6.098 5.520 ( 1.738 0.000 -0.692) 1.871 5.552 ( 2.324 0.000 3.372) 4.095 6.563 ( -5.869 0.000 -0.331) 5.878 6.594 ( -1.420 0.000 -0.214) 1.436 6.668 ( -1.239 0.000 -1.921) 2.286 6.838 ( 1.933 0.000 -4.138) 4.567 8.397 ( 2.058 0.000 -3.618) 4.162 8.522 ( 2.051 0.000 1.053) 2.305 8.596 ( -0.209 0.000 -2.746) 2.754 8.636 ( 0.889 0.000 4.186) 4.280 8.889 ( -4.776 0.000 -2.892) 5.583 8.941 ( -2.429 0.000 -0.494) 2.478 9.016 ( 1.798 0.000 -0.976) 2.046 9.111 ( 1.219 0.000 5.446) 5.581 9.548 ( -2.294 0.000 3.565) 4.239 9.565 ( -1.282 0.000 1.665) 2.101 9.615 ( 0.088 0.000 -1.292) 1.295 9.745 ( 2.569 0.000 1.962) 3.232 ======================= Grid point 98 (51/60) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 7.168 0.000 -9.023) 11.524 1.062 ( 3.778 0.000 -9.368) 10.101 1.080 ( 0.251 0.000 -3.929) 3.937 1.152 ( 3.843 0.000 3.837) 5.431 1.196 ( 0.690 0.000 5.671) 5.713 1.241 ( -7.847 0.000 -1.545) 7.998 1.406 ( 2.865 0.000 -0.986) 3.030 1.440 ( -5.422 0.000 4.360) 6.958 1.525 ( -4.670 0.000 2.642) 5.365 1.533 ( -4.745 0.000 0.735) 4.802 1.568 ( -1.390 0.000 -2.296) 2.684 1.660 ( 6.351 0.000 -7.276) 9.658 1.687 ( 0.701 0.000 -1.297) 1.474 1.717 ( -0.056 0.000 0.736) 0.738 1.774 ( -2.211 0.000 2.547) 3.373 1.806 ( -1.305 0.000 3.305) 3.554 1.811 ( 2.305 0.000 0.926) 2.484 1.917 ( -2.061 0.000 -5.035) 5.440 1.983 ( 1.888 0.000 1.524) 2.426 1.984 ( 1.314 0.000 -0.480) 1.399 2.054 ( -3.509 0.000 -0.538) 3.550 2.070 ( -3.375 0.000 -2.420) 4.153 2.117 ( 2.293 0.000 1.868) 2.957 2.148 ( 2.060 0.000 -4.217) 4.693 2.202 ( -4.623 0.000 0.076) 4.624 2.246 ( 1.929 0.000 1.794) 2.634 2.291 ( 1.240 0.000 -0.774) 1.462 2.316 ( 0.246 0.000 -1.791) 1.808 2.373 ( -3.385 0.000 -3.238) 4.685 2.454 ( -3.119 0.000 4.361) 5.361 2.602 ( 1.518 0.000 0.135) 1.524 2.632 ( 0.615 0.000 -2.727) 2.795 2.723 ( -0.891 0.000 1.752) 1.966 2.743 ( 1.918 0.000 1.473) 2.418 2.745 ( 5.872 0.000 -0.106) 5.873 2.828 ( 0.448 0.000 0.513) 0.682 2.846 ( 0.606 0.000 2.463) 2.537 2.909 ( -2.987 0.000 1.627) 3.402 2.930 ( 0.069 0.000 -5.768) 5.768 3.083 ( 5.282 0.000 6.476) 8.357 3.108 ( -6.592 0.000 -3.163) 7.311 3.210 ( -0.686 0.000 -2.433) 2.528 3.280 ( 0.066 0.000 4.741) 4.741 3.336 ( 0.781 0.000 -0.180) 0.802 3.411 ( 0.744 0.000 2.379) 2.492 3.466 ( -3.250 0.000 -3.892) 5.070 3.481 ( 1.811 0.000 5.993) 6.260 3.576 ( -1.340 0.000 0.485) 1.425 3.825 ( 1.395 0.000 0.527) 1.491 3.827 ( 0.992 0.000 2.922) 3.086 4.044 ( -0.313 0.000 3.247) 3.262 4.129 ( -1.914 0.000 -1.547) 2.461 4.260 ( 4.702 0.000 -1.394) 4.904 4.352 ( -0.616 0.000 0.324) 0.697 4.402 ( -1.365 0.000 -0.164) 1.375 4.422 ( -0.042 0.000 -2.833) 2.833 4.611 ( 4.219 0.000 -1.876) 4.617 4.688 ( 0.770 0.000 2.946) 3.044 4.784 ( -5.835 0.000 2.768) 6.458 4.820 ( 6.255 0.000 4.824) 7.899 4.828 ( 0.648 0.000 -4.502) 4.548 4.933 ( 1.818 0.000 -2.737) 3.286 5.065 ( -1.258 0.000 -1.110) 1.677 5.168 ( -2.542 0.000 -4.193) 4.904 5.257 ( -0.795 0.000 2.203) 2.342 5.356 ( -5.508 0.000 2.088) 5.891 5.566 ( 2.261 0.000 1.699) 2.828 5.617 ( 1.233 0.000 1.564) 1.992 6.472 ( -1.193 0.000 -1.217) 1.704 6.551 ( -2.500 0.000 -0.836) 2.636 6.675 ( 2.012 0.000 -0.328) 2.039 6.800 ( -1.873 0.000 -3.555) 4.018 8.441 ( 3.842 0.000 -1.079) 3.991 8.515 ( -1.016 0.000 -1.537) 1.843 8.576 ( 0.935 0.000 -1.923) 2.138 8.722 ( 1.242 0.000 4.885) 5.041 8.774 ( -3.822 0.000 -2.334) 4.478 8.886 ( -2.664 0.000 -0.820) 2.788 9.050 ( 2.942 0.000 -1.194) 3.175 9.139 ( -2.185 0.000 3.699) 4.296 9.548 ( -0.919 0.000 3.620) 3.735 9.588 ( 0.739 0.000 4.719) 4.777 9.603 ( 0.810 0.000 -3.466) 3.560 9.758 ( -2.457 0.000 0.531) 2.514 ======================= Grid point 99 (52/60) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.298 0.000 -2.053) 2.074 1.070 ( -0.298 0.000 2.053) 2.074 1.115 ( 6.792 0.000 -4.809) 8.323 1.115 ( -6.792 0.000 4.809) 8.323 1.260 ( 0.484 0.000 -4.104) 4.132 1.260 ( -0.484 0.000 4.104) 4.132 1.357 ( -2.888 0.000 -0.958) 3.042 1.357 ( 2.888 0.000 0.958) 3.042 1.505 ( 1.832 0.000 -6.030) 6.302 1.505 ( -1.832 0.000 6.030) 6.302 1.601 ( -6.009 0.000 -0.750) 6.056 1.601 ( 6.009 0.000 0.750) 6.056 1.738 ( 6.107 0.000 -5.845) 8.453 1.738 ( -6.107 0.000 5.845) 8.453 1.813 ( -2.134 0.000 -4.486) 4.967 1.813 ( 2.134 0.000 4.486) 4.967 1.844 ( -3.298 0.000 0.547) 3.343 1.844 ( 3.298 0.000 -0.547) 3.343 1.993 ( 0.975 0.000 -1.769) 2.020 1.993 ( -0.975 0.000 1.769) 2.020 1.998 ( 0.041 0.000 -1.270) 1.271 1.998 ( -0.041 0.000 1.270) 1.271 2.164 ( -0.023 0.000 -1.358) 1.358 2.164 ( 0.023 0.000 1.358) 1.358 2.225 ( -6.160 0.000 -1.997) 6.476 2.225 ( 6.160 0.000 1.997) 6.476 2.284 ( -0.461 0.000 -2.351) 2.396 2.284 ( 0.461 0.000 2.351) 2.396 2.375 ( 7.263 0.000 -4.817) 8.715 2.375 ( -7.263 0.000 4.817) 8.715 2.630 ( -0.201 0.000 -1.893) 1.904 2.630 ( 0.201 0.000 1.893) 1.904 2.744 ( -1.149 0.000 -3.974) 4.137 2.744 ( 1.149 0.000 3.974) 4.137 2.825 ( 1.019 0.000 -0.674) 1.222 2.825 ( -1.019 0.000 0.674) 1.222 2.891 ( 0.199 0.000 -3.904) 3.910 2.891 ( -0.199 0.000 3.904) 3.910 2.938 ( -6.560 0.000 -2.520) 7.027 2.938 ( 6.560 0.000 2.520) 7.027 3.168 ( -0.870 0.000 -2.918) 3.045 3.168 ( 0.870 0.000 2.918) 3.045 3.361 ( 0.881 0.000 -1.233) 1.516 3.361 ( -0.881 0.000 1.233) 1.516 3.396 ( -0.615 0.000 -2.103) 2.191 3.396 ( 0.615 0.000 2.103) 2.191 3.552 ( -1.474 0.000 -2.159) 2.614 3.552 ( 1.474 0.000 2.159) 2.614 3.848 ( 0.647 0.000 -1.077) 1.257 3.848 ( -0.647 0.000 1.077) 1.257 4.080 ( -1.341 0.000 -2.328) 2.686 4.080 ( 1.341 0.000 2.328) 2.686 4.326 ( -2.659 0.000 0.779) 2.770 4.326 ( 2.659 0.000 -0.779) 2.770 4.395 ( 0.134 0.000 -2.481) 2.484 4.395 ( -0.134 0.000 2.481) 2.484 4.682 ( 4.714 0.000 -1.783) 5.040 4.682 ( -4.714 0.000 1.783) 5.040 4.772 ( -1.613 0.000 -5.100) 5.349 4.772 ( 1.613 0.000 5.100) 5.349 4.937 ( 0.172 0.000 -4.853) 4.856 4.937 ( -0.172 0.000 4.853) 4.856 5.071 ( -2.902 0.000 -2.210) 3.648 5.071 ( 2.902 0.000 2.210) 3.648 5.282 ( -2.173 0.000 -1.034) 2.406 5.282 ( 2.173 0.000 1.034) 2.406 5.616 ( -1.278 0.000 -1.046) 1.651 5.616 ( 1.278 0.000 1.046) 1.651 6.492 ( -2.662 0.000 -0.493) 2.708 6.492 ( 2.662 0.000 0.493) 2.708 6.728 ( -2.779 0.000 -1.807) 3.315 6.728 ( 2.779 0.000 1.807) 3.315 8.487 ( -1.216 0.000 -0.305) 1.254 8.487 ( 1.216 0.000 0.305) 1.254 8.634 ( -5.816 0.000 0.021) 5.816 8.634 ( 5.816 0.000 -0.021) 5.816 8.822 ( -3.073 0.000 -1.701) 3.512 8.822 ( 3.073 0.000 1.701) 3.512 9.103 ( 3.622 0.000 -1.957) 4.117 9.103 ( -3.622 0.000 1.957) 4.117 9.571 ( -0.186 0.000 -3.219) 3.225 9.571 ( 0.186 0.000 3.219) 3.225 9.679 ( -4.058 0.000 -2.660) 4.852 9.679 ( 4.058 0.000 2.660) 4.852 ======================= Grid point 103 (53/60) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -1.342 5.092 -2.194) 5.705 1.043 ( 1.342 5.092 2.194) 5.705 1.153 ( 1.005 2.658 -4.113) 4.999 1.153 ( -1.005 2.658 4.113) 4.999 1.322 ( -0.489 -0.566 -5.916) 5.963 1.322 ( 0.489 -0.566 5.916) 5.963 1.391 ( -0.890 -1.650 -1.355) 2.313 1.391 ( 0.890 -1.650 1.355) 2.313 1.542 ( 1.267 -3.476 -2.902) 4.702 1.542 ( -1.267 -3.476 2.902) 4.702 1.633 ( -0.420 -5.792 -4.068) 7.091 1.633 ( 0.420 -5.792 4.068) 7.091 1.700 ( -1.496 0.229 -4.751) 4.986 1.700 ( 1.496 0.229 4.751) 4.986 1.805 ( 0.285 -1.765 -3.809) 4.208 1.805 ( -0.285 -1.765 3.809) 4.208 1.957 ( 1.174 0.572 -3.448) 3.687 1.957 ( -1.174 0.572 3.448) 3.687 2.012 ( -5.188 4.982 -3.888) 8.176 2.012 ( 5.188 4.982 3.888) 8.176 2.122 ( -2.716 0.870 -2.413) 3.736 2.122 ( 2.716 0.870 2.413) 3.736 2.192 ( -0.209 -0.726 -2.110) 2.241 2.192 ( 0.209 -0.726 2.110) 2.241 2.235 ( -3.011 -0.116 -1.751) 3.485 2.235 ( 3.011 -0.116 1.751) 3.485 2.292 ( -0.609 -1.284 -1.197) 1.859 2.292 ( 0.609 -1.284 1.197) 1.859 2.416 ( -2.867 4.394 -11.426) 12.574 2.416 ( 2.867 4.394 11.426) 12.574 2.575 ( 2.668 1.422 -5.826) 6.564 2.575 ( -2.668 1.422 5.826) 6.564 2.633 ( 0.663 -3.175 -1.338) 3.508 2.633 ( -0.663 -3.175 1.338) 3.508 2.685 ( -4.091 -0.895 0.294) 4.198 2.685 ( 4.091 -0.895 -0.294) 4.198 2.825 ( -1.869 -4.593 -3.442) 6.037 2.825 ( 1.869 -4.593 3.442) 6.037 3.014 ( -2.039 1.692 -2.286) 3.499 3.014 ( 2.039 1.692 2.286) 3.499 3.175 ( 0.065 6.223 -3.461) 7.121 3.175 ( -0.065 6.223 3.461) 7.121 3.262 ( -1.072 -3.634 -3.204) 4.962 3.262 ( 1.072 -3.634 3.204) 4.962 3.471 ( -0.297 -0.841 -2.230) 2.402 3.471 ( 0.297 -0.841 2.230) 2.402 3.618 ( -4.828 2.090 -2.241) 5.718 3.618 ( 4.828 2.090 2.241) 5.718 3.820 ( 0.892 -0.561 -0.880) 1.372 3.820 ( -0.892 -0.561 0.880) 1.372 4.092 ( 1.442 -1.439 -1.414) 2.480 4.092 ( -1.442 -1.439 1.414) 2.480 4.248 ( -1.749 -0.215 -0.553) 1.847 4.248 ( 1.749 -0.215 0.553) 1.847 4.466 ( -0.720 1.162 -0.451) 1.440 4.466 ( 0.720 1.162 0.451) 1.440 4.562 ( 0.182 1.048 -0.946) 1.423 4.562 ( -0.182 1.048 0.946) 1.423 4.750 ( 3.649 0.523 -2.686) 4.561 4.750 ( -3.649 0.523 2.686) 4.561 4.935 ( 1.101 -0.530 -0.768) 1.443 4.935 ( -1.101 -0.530 0.768) 1.443 5.157 ( -1.830 0.696 -0.703) 2.080 5.157 ( 1.830 0.696 0.703) 2.080 5.379 ( -2.501 1.023 -2.579) 3.735 5.379 ( 2.501 1.023 2.579) 3.735 5.499 ( 0.895 -1.293 -3.012) 3.398 5.499 ( -0.895 -1.293 3.012) 3.398 6.592 ( 1.063 -1.397 -1.179) 2.115 6.592 ( -1.063 -1.397 1.179) 2.115 6.763 ( -2.778 -0.983 0.018) 2.947 6.763 ( 2.778 -0.983 -0.018) 2.947 8.440 ( -1.587 0.329 -3.861) 4.187 8.440 ( 1.587 0.329 3.861) 4.187 8.618 ( 0.063 0.058 -2.630) 2.632 8.618 ( -0.063 0.058 2.630) 2.632 8.976 ( -1.051 -0.381 -1.045) 1.530 8.976 ( 1.051 -0.381 1.045) 1.530 9.031 ( -1.782 1.285 -3.693) 4.298 9.031 ( 1.782 1.285 3.693) 4.298 9.581 ( 2.514 1.296 -2.592) 3.836 9.581 ( -2.514 1.296 2.592) 3.836 9.646 ( -3.170 -1.181 0.100) 3.384 9.646 ( 3.170 -1.181 -0.100) 3.384 ======================= Grid point 105 (54/60) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.353 3.216 -1.436) 3.540 1.097 ( 0.412 0.896 -0.428) 1.075 1.128 ( 2.848 4.677 -6.982) 8.873 1.182 ( 1.793 4.467 0.921) 4.901 1.242 ( -1.820 2.838 -6.191) 7.050 1.341 ( 0.629 -3.943 -3.198) 5.116 1.365 ( -3.165 -1.350 2.273) 4.124 1.440 ( -1.689 -0.468 6.593) 6.821 1.507 ( -0.892 -3.328 -1.715) 3.849 1.551 ( 2.226 -2.305 -0.664) 3.272 1.583 ( -2.601 -3.451 -1.617) 4.614 1.663 ( 1.707 1.251 -3.460) 4.056 1.692 ( 2.683 -5.593 3.251) 7.003 1.726 ( -4.435 2.886 0.855) 5.360 1.779 ( -0.034 -0.702 2.541) 2.636 1.831 ( -0.616 -1.281 3.321) 3.612 1.873 ( -3.485 -0.265 -3.775) 5.145 1.903 ( -5.505 1.427 -1.676) 5.929 1.944 ( -0.731 -1.154 -2.796) 3.112 2.032 ( -2.545 2.615 -1.330) 3.884 2.087 ( 0.365 0.836 0.218) 0.938 2.118 ( -4.149 -0.870 -1.548) 4.513 2.134 ( 0.263 -2.434 -1.734) 3.000 2.161 ( -0.766 1.157 -2.045) 2.472 2.186 ( 0.245 0.034 0.851) 0.887 2.260 ( 1.225 0.388 -2.057) 2.425 2.308 ( 1.238 0.839 -2.449) 2.870 2.345 ( 2.416 -0.362 -5.540) 6.054 2.356 ( 1.901 2.745 1.705) 3.749 2.481 ( -4.331 -0.982 0.366) 4.456 2.551 ( -1.829 -4.654 -1.802) 5.315 2.585 ( -0.072 -3.048 -0.686) 3.125 2.625 ( 4.749 0.915 0.128) 4.838 2.673 ( 4.248 -0.772 -4.230) 6.045 2.728 ( 3.376 1.108 6.598) 7.494 2.769 ( 3.538 -0.680 2.014) 4.128 2.857 ( 4.021 1.574 4.996) 6.603 2.915 ( -0.386 0.734 0.663) 1.062 2.959 ( -1.957 0.492 4.497) 4.929 3.068 ( -0.382 2.077 1.604) 2.652 3.186 ( 2.533 4.645 2.470) 5.839 3.206 ( 2.034 1.533 -2.313) 3.440 3.220 ( -2.161 -4.296 2.758) 5.544 3.315 ( -0.034 -2.330 4.841) 5.372 3.427 ( -2.695 -0.426 2.110) 3.449 3.456 ( -4.134 1.262 -3.631) 5.645 3.520 ( -0.465 2.183 0.373) 2.263 3.637 ( -3.390 -1.435 -1.888) 4.137 3.792 ( -0.307 1.316 2.302) 2.669 3.831 ( 0.474 0.394 -0.817) 1.023 4.056 ( -2.075 0.759 2.783) 3.554 4.131 ( 1.695 -2.301 0.361) 2.880 4.229 ( 0.668 1.607 -1.845) 2.536 4.304 ( 2.999 -2.178 -0.608) 3.756 4.440 ( -1.027 1.219 -1.144) 1.962 4.462 ( -0.441 0.854 -1.700) 1.953 4.567 ( 1.389 0.893 0.064) 1.653 4.635 ( 4.680 -1.282 1.255) 5.012 4.709 ( -1.002 2.337 1.156) 2.793 4.797 ( 2.897 -1.201 -2.616) 4.085 4.895 ( -3.390 0.846 0.629) 3.550 4.933 ( -0.288 -0.813 -0.893) 1.242 5.121 ( -1.116 1.847 -1.730) 2.766 5.191 ( 1.080 -0.868 -1.022) 1.722 5.312 ( -2.837 2.534 0.440) 3.829 5.411 ( -2.797 -1.130 4.070) 5.066 5.511 ( 1.586 -0.627 0.145) 1.711 5.537 ( 2.139 -1.357 2.621) 3.645 6.543 ( -4.059 -0.918 -0.618) 4.207 6.583 ( -0.594 -1.510 -1.404) 2.146 6.693 ( -1.749 2.269 -0.848) 2.988 6.807 ( 1.292 -2.774 -2.741) 4.109 8.400 ( 1.243 0.697 -3.871) 4.125 8.492 ( 1.246 -3.059 -0.075) 3.304 8.601 ( -0.132 1.718 -1.020) 2.002 8.652 ( 1.006 0.362 4.312) 4.443 8.908 ( -3.644 1.575 -2.113) 4.497 8.956 ( -2.584 0.555 -0.167) 2.648 9.019 ( 1.720 1.094 -1.110) 2.321 9.102 ( 1.066 -1.051 4.105) 4.370 9.555 ( -2.459 0.611 3.434) 4.267 9.575 ( -2.607 0.465 3.112) 4.086 9.621 ( 1.495 1.099 -2.110) 2.810 9.721 ( 2.409 -2.239 1.142) 3.482 ======================= Grid point 106 (55/60) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 3.128 -0.226 -3.571) 4.752 1.106 ( 1.700 1.850 -4.263) 4.948 1.120 ( 3.308 4.118 -7.085) 8.837 1.159 ( -2.229 -0.558 1.076) 2.537 1.214 ( 1.559 2.186 -2.146) 3.437 1.310 ( -1.456 4.200 0.955) 4.547 1.359 ( 1.245 -3.369 -2.638) 4.456 1.420 ( -5.008 -2.174 3.028) 6.243 1.464 ( -3.447 -3.588 0.981) 5.071 1.511 ( -1.048 -3.848 -0.164) 3.992 1.589 ( -2.741 2.693 -0.560) 3.883 1.666 ( 3.447 1.819 -5.226) 6.519 1.699 ( 0.565 0.737 3.134) 3.269 1.742 ( -1.346 1.258 -2.167) 2.845 1.772 ( 1.107 -1.738 -2.395) 3.159 1.791 ( 0.113 0.823 6.279) 6.334 1.829 ( -0.132 1.048 3.958) 4.097 1.894 ( -0.064 -2.315 -0.618) 2.397 1.918 ( 1.150 -2.585 1.506) 3.205 1.990 ( -5.415 -1.970 0.902) 5.833 2.030 ( -2.227 -1.695 -1.148) 3.026 2.096 ( -2.669 0.431 -1.915) 3.313 2.137 ( 3.024 1.934 0.014) 3.590 2.146 ( 1.827 -0.040 -0.980) 2.074 2.218 ( 0.598 0.936 0.824) 1.383 2.262 ( -1.227 -2.839 0.150) 3.097 2.273 ( -2.216 1.986 -1.471) 3.319 2.306 ( -0.365 -1.046 -4.756) 4.883 2.357 ( 0.047 2.208 -4.752) 5.240 2.439 ( -1.047 -2.774 3.063) 4.263 2.510 ( 0.378 -5.322 -0.838) 5.400 2.635 ( 4.931 -4.837 -0.456) 6.923 2.670 ( 0.633 2.301 -2.380) 3.371 2.742 ( 5.094 -0.756 -2.532) 5.738 2.806 ( 1.302 1.627 2.741) 3.443 2.828 ( -3.168 0.857 1.876) 3.780 2.840 ( -0.178 0.257 1.075) 1.119 2.927 ( -3.333 0.886 2.249) 4.117 2.983 ( 0.371 3.894 -1.765) 4.292 3.073 ( -3.609 -0.970 1.053) 3.883 3.148 ( 0.005 2.183 0.670) 2.284 3.222 ( -0.928 1.901 0.753) 2.246 3.242 ( 1.406 -2.435 2.678) 3.883 3.364 ( 0.836 -2.375 2.056) 3.251 3.388 ( -1.138 1.349 -0.659) 1.884 3.436 ( 0.945 0.284 1.297) 1.630 3.525 ( -0.086 1.765 2.396) 2.977 3.571 ( -1.265 -0.615 0.218) 1.424 3.822 ( 1.066 0.804 2.375) 2.725 3.849 ( 0.933 0.737 0.461) 1.275 4.068 ( 0.543 2.292 2.891) 3.730 4.142 ( -0.914 0.532 -0.247) 1.086 4.258 ( 3.318 0.238 -0.029) 3.326 4.331 ( 0.224 -1.995 -0.233) 2.021 4.411 ( -1.132 0.932 -0.526) 1.558 4.432 ( -0.282 0.475 -3.383) 3.428 4.613 ( 3.945 0.643 -1.035) 4.129 4.687 ( 0.829 -1.069 2.714) 3.033 4.779 ( 2.150 -0.446 -2.159) 3.080 4.786 ( -2.209 -0.913 2.893) 3.753 4.854 ( 0.922 1.536 0.295) 1.815 4.932 ( 1.719 -0.753 -1.358) 2.317 5.074 ( -1.941 1.147 -2.123) 3.097 5.154 ( -2.712 -1.536 -3.840) 4.946 5.292 ( -0.719 3.233 2.526) 4.165 5.367 ( -3.839 0.761 2.117) 4.449 5.550 ( 1.707 -1.244 1.479) 2.578 5.591 ( 0.987 -2.344 1.305) 2.858 6.483 ( -0.535 1.213 -0.890) 1.597 6.551 ( -1.652 -0.617 -1.096) 2.076 6.681 ( 0.827 1.056 -0.338) 1.383 6.775 ( -1.696 -2.275 -2.683) 3.905 8.419 ( 3.008 -0.817 -2.241) 3.838 8.490 ( -0.409 -3.375 -1.246) 3.620 8.600 ( 1.023 3.314 -0.122) 3.471 8.711 ( -0.424 -1.371 4.037) 4.284 8.823 ( -2.347 3.685 -1.748) 4.706 8.899 ( -2.679 0.668 -0.931) 2.914 9.053 ( 2.581 0.690 -0.638) 2.746 9.127 ( -1.545 -1.325 2.854) 3.506 9.552 ( -0.924 0.440 3.663) 3.804 9.581 ( -0.287 -0.723 4.169) 4.241 9.622 ( 0.958 1.962 -2.638) 3.425 9.732 ( -1.835 -2.433 -0.147) 3.050 ======================= Grid point 107 (56/60) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 3.213 0.012 -5.947) 6.760 1.074 ( -3.213 0.012 5.947) 6.760 1.132 ( 2.276 1.182 -3.570) 4.396 1.132 ( -2.276 1.182 3.570) 4.396 1.268 ( 4.795 1.746 -5.346) 7.391 1.268 ( -4.795 1.746 5.346) 7.391 1.343 ( -0.086 -0.769 -1.368) 1.572 1.343 ( 0.086 -0.769 1.368) 1.572 1.475 ( -1.212 -1.812 -3.482) 4.108 1.475 ( 1.212 -1.812 3.482) 4.108 1.614 ( -4.719 -0.437 -2.227) 5.237 1.614 ( 4.719 -0.437 2.227) 5.237 1.734 ( 2.682 -1.511 -3.797) 4.888 1.734 ( -2.682 -1.511 3.797) 4.888 1.797 ( 2.990 0.908 -3.356) 4.585 1.797 ( -2.990 0.908 3.356) 4.585 1.873 ( -0.040 -0.537 -0.984) 1.121 1.873 ( 0.040 -0.537 0.984) 1.121 1.969 ( -4.547 0.016 -4.729) 6.561 1.969 ( 4.547 0.016 4.729) 6.561 1.991 ( -1.114 -0.391 -3.879) 4.055 1.991 ( 1.114 -0.391 3.879) 4.055 2.185 ( -0.364 1.633 -2.947) 3.389 2.185 ( 0.364 1.633 2.947) 3.389 2.208 ( -1.738 -0.615 -1.266) 2.237 2.208 ( 1.738 -0.615 1.266) 2.237 2.274 ( 0.906 -1.234 -4.372) 4.632 2.274 ( -0.906 -1.234 4.372) 4.632 2.380 ( 4.354 -0.883 -3.946) 5.942 2.380 ( -4.354 -0.883 3.946) 5.942 2.585 ( -3.549 -0.872 -2.906) 4.669 2.585 ( 3.549 -0.872 2.906) 4.669 2.763 ( 0.868 -0.702 -6.771) 6.862 2.763 ( -0.868 -0.702 6.771) 6.862 2.819 ( -2.993 -1.018 -0.404) 3.187 2.819 ( 2.993 -1.018 0.404) 3.187 2.856 ( 4.048 -1.742 -4.264) 6.132 2.856 ( -4.048 -1.742 4.264) 6.132 2.980 ( -1.068 3.244 -1.074) 3.580 2.980 ( 1.068 3.244 1.074) 3.580 3.190 ( -0.595 1.781 -2.961) 3.506 3.190 ( 0.595 1.781 2.961) 3.506 3.320 ( -1.620 -2.994 -3.166) 4.649 3.320 ( 1.620 -2.994 3.166) 4.649 3.431 ( -2.100 2.651 -2.167) 4.017 3.431 ( 2.100 2.651 2.167) 4.017 3.553 ( -0.322 -0.170 -1.681) 1.720 3.553 ( 0.322 -0.170 1.681) 1.720 3.854 ( -0.013 0.479 -1.359) 1.441 3.854 ( 0.013 0.479 1.359) 1.441 4.110 ( -1.190 2.489 -1.881) 3.339 4.110 ( 1.190 2.489 1.881) 3.339 4.315 ( 0.178 -1.170 -2.073) 2.387 4.315 ( -0.178 -1.170 2.073) 2.387 4.403 ( 0.224 0.642 -2.387) 2.482 4.403 ( -0.224 0.642 2.387) 2.482 4.692 ( -3.095 0.899 0.617) 3.281 4.692 ( 3.095 0.899 -0.617) 3.281 4.756 ( -1.271 -1.374 -4.355) 4.741 4.756 ( 1.271 -1.374 4.355) 4.741 4.937 ( -0.946 0.286 -3.992) 4.112 4.937 ( 0.946 0.286 3.992) 4.112 5.058 ( -2.547 -1.225 -1.959) 3.439 5.058 ( 2.547 -1.225 1.959) 3.439 5.317 ( -1.226 2.965 -1.524) 3.552 5.317 ( 1.226 2.965 1.524) 3.552 5.590 ( -0.778 -2.317 -1.136) 2.695 5.590 ( 0.778 -2.317 1.136) 2.695 6.504 ( -2.022 0.989 -0.695) 2.356 6.504 ( 2.022 0.989 0.695) 2.356 6.716 ( -2.225 -1.008 -1.356) 2.794 6.716 ( 2.225 -1.008 1.356) 2.794 8.460 ( -1.883 -1.796 0.237) 2.613 8.460 ( 1.883 -1.796 -0.237) 2.613 8.656 ( -4.583 1.497 -0.017) 4.821 8.656 ( 4.583 1.497 0.017) 4.821 8.840 ( -2.460 1.439 -1.245) 3.110 8.840 ( 2.460 1.439 1.245) 3.110 9.099 ( 1.926 -0.326 -1.285) 2.338 9.099 ( -1.926 -0.326 1.285) 2.338 9.577 ( -0.376 0.499 -2.742) 2.812 9.577 ( 0.376 0.499 2.742) 2.812 9.666 ( -3.109 -1.052 -2.363) 4.044 9.666 ( 3.109 -1.052 2.363) 4.044 ======================= Grid point 111 (57/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.000 0.000 0.000) 0.000 1.107 ( 0.000 0.000 0.000) 0.000 1.198 ( 0.000 0.000 0.000) 0.000 1.198 ( 0.000 0.000 0.000) 0.000 1.326 ( -0.000 0.000 -0.000) 0.000 1.326 ( 0.000 0.000 0.000) 0.000 1.354 ( -0.000 -0.000 -0.000) 0.000 1.354 ( 0.000 -0.000 0.000) 0.000 1.499 ( -0.000 0.000 -0.000) 0.000 1.499 ( -0.000 0.000 0.000) 0.000 1.556 ( -0.000 0.000 0.000) 0.000 1.556 ( 0.000 0.000 0.000) 0.000 1.725 ( -0.000 -0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.764 ( -0.000 0.000 -0.000) 0.000 1.764 ( -0.000 0.000 0.000) 0.000 1.962 ( -0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.133 ( -0.000 0.000 -0.000) 0.000 2.133 ( 0.000 -0.000 0.000) 0.000 2.157 ( -0.000 0.000 -0.000) 0.000 2.157 ( -0.000 0.000 0.000) 0.000 2.259 ( 0.000 0.000 0.000) 0.000 2.259 ( 0.000 0.000 0.000) 0.000 2.269 ( -0.000 -0.000 -0.000) 0.000 2.269 ( -0.000 0.000 -0.000) 0.000 2.510 ( 0.000 0.000 -0.000) 0.000 2.510 ( -0.000 0.000 0.000) 0.000 2.541 ( 0.000 -0.000 -0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 0.000 0.000) 0.000 2.593 ( -0.000 0.000 0.000) 0.000 2.674 ( 0.000 0.000 -0.000) 0.000 2.674 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.041 ( -0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 -0.000 0.000) 0.000 3.304 ( -0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.810 ( 0.000 0.000 0.000) 0.000 3.810 ( -0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.074 ( -0.000 0.000 0.000) 0.000 4.247 ( -0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 4.481 ( -0.000 0.000 0.000) 0.000 4.481 ( -0.000 0.000 0.000) 0.000 4.574 ( -0.000 0.000 0.000) 0.000 4.574 ( -0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.926 ( -0.000 0.000 0.000) 0.000 5.166 ( -0.000 0.000 0.000) 0.000 5.166 ( -0.000 0.000 0.000) 0.000 5.395 ( -0.000 0.000 0.000) 0.000 5.395 ( 0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.752 ( -0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 8.444 ( -0.000 0.000 0.000) 0.000 8.444 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 9.045 ( -0.000 0.000 0.000) 0.000 9.045 ( 0.000 0.000 0.000) 0.000 9.609 ( 0.000 -0.000 -0.000) 0.000 9.609 ( -0.000 0.000 0.000) 0.000 9.620 ( -0.000 0.000 0.000) 0.000 9.620 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 115 (58/60) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -1.520 -3.176 -0.463) 3.551 1.078 ( -1.520 3.176 -0.463) 3.551 1.223 ( 2.141 -2.656 -3.135) 4.633 1.223 ( 2.141 2.656 -3.135) 4.633 1.276 ( 0.710 -2.252 -6.661) 7.067 1.276 ( 0.710 2.252 -6.661) 7.067 1.392 ( -1.119 -3.600 3.361) 5.051 1.392 ( -1.119 3.600 3.361) 5.051 1.484 ( -2.006 -2.086 -1.342) 3.190 1.484 ( -2.006 2.086 -1.342) 3.190 1.589 ( 2.572 -3.737 4.477) 6.374 1.589 ( 2.572 3.737 4.477) 6.374 1.712 ( 1.208 -3.226 -1.105) 3.618 1.712 ( 1.208 3.226 -1.105) 3.618 1.793 ( 0.338 -2.287 3.232) 3.974 1.793 ( 0.338 2.287 3.232) 3.974 1.889 ( -6.420 -1.234 -2.508) 7.002 1.889 ( -6.420 1.234 -2.508) 7.002 2.009 ( -2.900 -5.401 -1.651) 6.348 2.009 ( -2.900 5.401 -1.651) 6.348 2.085 ( -2.633 -1.042 -1.226) 3.086 2.085 ( -2.633 1.042 -1.226) 3.086 2.143 ( -1.152 -1.424 0.567) 1.917 2.143 ( -1.152 1.424 0.567) 1.917 2.257 ( 0.673 -3.150 -0.963) 3.362 2.257 ( 0.673 3.150 -0.963) 3.362 2.310 ( -0.399 -4.857 -1.001) 4.975 2.310 ( -0.399 4.857 -1.001) 4.975 2.424 ( 3.148 -5.195 -7.810) 9.894 2.424 ( 3.148 5.195 -7.810) 9.894 2.519 ( -4.427 -3.404 0.216) 5.588 2.519 ( -4.427 3.404 0.216) 5.588 2.655 ( 5.644 -1.339 -2.690) 6.394 2.655 ( 5.644 1.339 -2.690) 6.394 2.754 ( 3.739 -1.298 2.822) 4.861 2.754 ( 3.739 1.298 2.822) 4.861 2.898 ( 5.338 -2.113 5.311) 7.821 2.898 ( 5.338 2.113 5.311) 7.821 3.034 ( -2.929 -5.289 6.114) 8.599 3.034 ( -2.929 5.289 6.114) 8.599 3.187 ( -0.468 -1.800 -0.779) 2.017 3.187 ( -0.468 1.800 -0.779) 2.017 3.274 ( -2.607 -3.343 3.643) 5.590 3.274 ( -2.607 3.343 3.643) 5.590 3.439 ( 0.826 -2.771 -0.336) 2.911 3.439 ( 0.826 2.771 -0.336) 2.911 3.590 ( -3.474 -3.610 -2.248) 5.491 3.590 ( -3.474 3.610 -2.248) 5.491 3.822 ( 0.605 -1.311 0.739) 1.622 3.822 ( 0.605 1.311 0.739) 1.622 4.084 ( 0.307 -2.074 2.249) 3.075 4.084 ( 0.307 2.074 2.249) 3.075 4.263 ( 1.724 -1.849 -1.089) 2.753 4.263 ( 1.724 1.849 -1.089) 2.753 4.463 ( -0.711 -0.694 -1.942) 2.181 4.463 ( -0.711 0.694 -1.942) 2.181 4.598 ( 1.838 -2.086 0.346) 2.801 4.598 ( 1.838 2.086 0.346) 2.801 4.763 ( 1.103 -2.427 -0.562) 2.725 4.763 ( 1.103 2.427 -0.562) 2.725 4.912 ( -1.529 -1.004 0.150) 1.835 4.912 ( -1.529 1.004 0.150) 1.835 5.162 ( -0.091 -1.987 -1.877) 2.735 5.162 ( -0.091 1.987 -1.877) 2.735 5.370 ( -2.457 -2.885 2.104) 4.334 5.370 ( -2.457 2.885 2.104) 4.334 5.512 ( 1.660 -0.843 1.451) 2.361 5.512 ( 1.660 0.843 1.451) 2.361 6.548 ( -1.495 -1.417 -1.349) 2.462 6.548 ( -1.495 1.417 -1.349) 2.462 6.746 ( -0.346 -3.029 -0.949) 3.193 6.746 ( -0.346 3.029 -0.949) 3.193 8.432 ( 0.498 -2.534 -2.797) 3.807 8.432 ( 0.498 2.534 -2.797) 3.807 8.639 ( 0.560 -1.564 2.658) 3.135 8.639 ( 0.560 1.564 2.658) 3.135 8.941 ( -2.276 -1.537 -1.065) 2.946 8.941 ( -2.276 1.537 -1.065) 2.946 9.065 ( 0.866 -2.611 1.280) 3.034 9.065 ( 0.866 2.611 1.280) 3.034 9.569 ( -2.880 -0.756 3.284) 4.433 9.569 ( -2.880 0.756 3.284) 4.433 9.666 ( 2.182 -2.987 -0.657) 3.757 9.666 ( 2.182 2.987 -0.657) 3.757 ======================= Grid point 117 (59/60) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.477 -4.448 -0.179) 4.477 1.067 ( 0.477 4.448 -0.179) 4.477 1.174 ( -1.958 -1.120 -4.017) 4.607 1.174 ( -1.958 1.120 -4.017) 4.607 1.280 ( 4.681 -4.601 -6.997) 9.593 1.280 ( 4.681 4.601 -6.997) 9.593 1.371 ( -1.944 -2.759 0.081) 3.377 1.371 ( -1.944 2.759 0.081) 3.377 1.437 ( -1.248 -1.581 1.705) 2.639 1.437 ( -1.248 1.581 1.705) 2.639 1.668 ( -4.104 -3.552 2.427) 5.946 1.668 ( -4.104 3.552 2.427) 5.946 1.735 ( 2.648 -3.123 -0.820) 4.175 1.735 ( 2.648 3.123 -0.820) 4.175 1.760 ( -0.247 -1.290 -1.392) 1.914 1.760 ( -0.247 1.290 -1.392) 1.914 1.872 ( 0.656 -2.048 6.311) 6.668 1.872 ( 0.656 2.048 6.311) 6.668 1.908 ( -3.542 -2.802 0.164) 4.519 1.908 ( -3.542 2.802 0.164) 4.519 2.044 ( -2.107 -3.072 0.610) 3.775 2.044 ( -2.107 3.072 0.610) 3.775 2.164 ( 2.485 -0.686 -0.736) 2.680 2.164 ( 2.485 0.686 -0.736) 2.680 2.234 ( -0.170 -1.482 -3.413) 3.725 2.234 ( -0.170 1.482 -3.413) 3.725 2.295 ( -0.020 -4.798 -0.968) 4.895 2.295 ( -0.020 4.798 -0.968) 4.895 2.387 ( -4.706 -4.597 -2.211) 6.940 2.387 ( -4.706 4.597 -2.211) 6.940 2.518 ( 7.083 -6.316 -1.740) 9.648 2.518 ( 7.083 6.316 -1.740) 9.648 2.718 ( 3.141 -1.757 -3.787) 5.225 2.718 ( 3.141 1.757 -3.787) 5.225 2.832 ( 2.165 -0.942 0.914) 2.532 2.832 ( 2.165 0.942 0.914) 2.532 2.886 ( -7.948 -4.240 3.949) 9.836 2.886 ( -7.948 4.240 3.949) 9.836 3.043 ( -1.667 -1.823 0.393) 2.501 3.043 ( -1.667 1.823 0.393) 2.501 3.194 ( 1.757 -2.505 1.751) 3.525 3.194 ( 1.757 2.505 1.751) 3.525 3.284 ( -0.788 -4.023 2.141) 4.624 3.284 ( -0.788 4.023 2.141) 4.624 3.435 ( 0.978 -1.433 -0.054) 1.736 3.435 ( 0.978 1.433 -0.054) 1.736 3.551 ( -0.825 -1.186 1.317) 1.955 3.551 ( -0.825 1.186 1.317) 1.955 3.845 ( 0.810 -1.028 1.200) 1.776 3.845 ( 0.810 1.028 1.200) 1.776 4.121 ( 1.109 -2.513 2.192) 3.515 4.121 ( 1.109 2.513 2.192) 3.515 4.285 ( 1.039 -2.303 -0.139) 2.531 4.285 ( 1.039 2.303 -0.139) 2.531 4.430 ( -0.666 -0.712 -2.300) 2.498 4.430 ( -0.666 0.712 -2.300) 2.498 4.645 ( 3.003 -2.398 0.344) 3.858 4.645 ( 3.003 2.398 0.344) 3.858 4.779 ( -0.617 -0.223 -0.188) 0.683 4.779 ( -0.617 0.223 -0.188) 0.683 4.896 ( 1.070 -2.502 0.552) 2.777 4.896 ( 1.070 2.502 0.552) 2.777 5.112 ( -2.744 -2.416 -3.539) 5.088 5.112 ( -2.744 2.416 -3.539) 5.088 5.356 ( -1.179 -2.388 2.682) 3.780 5.356 ( -1.179 2.388 2.682) 3.780 5.546 ( 0.698 -1.410 1.014) 1.871 5.546 ( 0.698 1.410 1.014) 1.871 6.519 ( -0.231 -2.201 -0.887) 2.384 6.519 ( -0.231 2.201 -0.887) 2.384 6.722 ( -1.050 -2.773 -1.167) 3.186 6.722 ( -1.050 2.773 -1.167) 3.186 8.430 ( 1.482 -2.028 -2.089) 3.267 8.430 ( 1.482 2.028 -2.089) 3.267 8.667 ( -0.237 -2.995 2.467) 3.888 8.667 ( -0.237 2.995 2.467) 3.888 8.885 ( -2.000 -2.223 -1.344) 3.279 8.885 ( -2.000 2.223 -1.344) 3.279 9.087 ( 0.338 -2.388 1.074) 2.640 9.087 ( 0.338 2.388 1.074) 2.640 9.565 ( -0.790 -0.823 3.787) 3.955 9.565 ( -0.790 0.823 3.787) 3.955 9.674 ( -0.392 -3.096 -1.437) 3.436 9.674 ( -0.392 3.096 -1.437) 3.436 ======================= Grid point 119 (60/60) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.000 0.000 -0.000) 0.000 1.072 ( -0.000 0.000 0.000) 0.000 1.140 ( 0.000 -0.000 0.000) 0.000 1.140 ( 0.000 0.000 0.000) 0.000 1.318 ( 0.000 0.000 -0.000) 0.000 1.318 ( 0.000 0.000 -0.000) 0.000 1.329 ( -0.000 -0.000 0.000) 0.000 1.329 ( 0.000 0.000 0.000) 0.000 1.459 ( 0.000 0.000 -0.000) 0.000 1.459 ( 0.000 0.000 -0.000) 0.000 1.580 ( 0.000 0.000 -0.000) 0.000 1.580 ( 0.000 0.000 -0.000) 0.000 1.730 ( 0.000 -0.000 -0.000) 0.000 1.730 ( 0.000 0.000 -0.000) 0.000 1.788 ( 0.000 0.000 -0.000) 0.000 1.788 ( 0.000 0.000 0.000) 0.000 1.863 ( 0.000 0.000 -0.000) 0.000 1.863 ( 0.000 0.000 -0.000) 0.000 1.968 ( 0.000 0.000 -0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 2.004 ( 0.000 0.000 -0.000) 0.000 2.004 ( 0.000 -0.000 0.000) 0.000 2.202 ( 0.000 -0.000 -0.000) 0.000 2.202 ( 0.000 0.000 0.000) 0.000 2.208 ( -0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 -0.000) 0.000 2.279 ( -0.000 -0.000 -0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 -0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.642 ( 0.000 -0.000 -0.000) 0.000 2.642 ( 0.000 0.000 0.000) 0.000 2.696 ( -0.000 0.000 -0.000) 0.000 2.696 ( -0.000 0.000 -0.000) 0.000 2.795 ( 0.000 0.000 -0.000) 0.000 2.795 ( -0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 -0.000) 0.000 2.855 ( -0.000 0.000 0.000) 0.000 3.020 ( -0.000 0.000 -0.000) 0.000 3.020 ( 0.000 0.000 -0.000) 0.000 3.221 ( 0.000 0.000 -0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.275 ( 0.000 -0.000 -0.000) 0.000 3.275 ( 0.000 0.000 0.000) 0.000 3.468 ( -0.000 -0.000 -0.000) 0.000 3.468 ( 0.000 0.000 -0.000) 0.000 3.546 ( 0.000 0.000 -0.000) 0.000 3.546 ( 0.000 0.000 -0.000) 0.000 3.860 ( 0.000 0.000 -0.000) 0.000 3.860 ( 0.000 0.000 -0.000) 0.000 4.144 ( 0.000 0.000 -0.000) 0.000 4.144 ( 0.000 0.000 -0.000) 0.000 4.296 ( 0.000 -0.000 -0.000) 0.000 4.296 ( 0.000 -0.000 -0.000) 0.000 4.411 ( 0.000 -0.000 -0.000) 0.000 4.411 ( 0.000 -0.000 -0.000) 0.000 4.708 ( 0.000 -0.000 -0.000) 0.000 4.708 ( 0.000 -0.000 0.000) 0.000 4.734 ( -0.000 0.000 -0.000) 0.000 4.734 ( -0.000 0.000 0.000) 0.000 4.945 ( -0.000 0.000 -0.000) 0.000 4.945 ( 0.000 0.000 -0.000) 0.000 5.039 ( 0.000 0.000 -0.000) 0.000 5.039 ( 0.000 0.000 -0.000) 0.000 5.359 ( 0.000 0.000 -0.000) 0.000 5.359 ( 0.000 0.000 -0.000) 0.000 5.556 ( 0.000 0.000 -0.000) 0.000 5.556 ( 0.000 0.000 -0.000) 0.000 6.517 ( 0.000 0.000 -0.000) 0.000 6.517 ( 0.000 0.000 -0.000) 0.000 6.703 ( 0.000 0.000 -0.000) 0.000 6.703 ( 0.000 0.000 -0.000) 0.000 8.440 ( 0.000 0.000 -0.000) 0.000 8.440 ( 0.000 0.000 -0.000) 0.000 8.673 ( 0.000 0.000 -0.000) 0.000 8.673 ( 0.000 0.000 -0.000) 0.000 8.858 ( 0.000 0.000 -0.000) 0.000 8.858 ( 0.000 0.000 -0.000) 0.000 9.095 ( 0.000 -0.000 -0.000) 0.000 9.095 ( 0.000 0.000 -0.000) 0.000 9.584 ( 0.000 0.000 -0.000) 0.000 9.584 ( 0.000 0.000 -0.000) 0.000 9.652 ( 0.000 0.000 -0.000) 0.000 9.652 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/12096 10.0 66.075 65.272 75.956 0.000 -1.773 0.000 3/12096 20.0 12.638 11.599 16.514 0.000 0.165 0.000 3/12096 30.0 5.848 5.309 7.672 0.000 0.086 0.000 3/12096 40.0 3.677 3.332 4.797 0.000 0.057 0.000 3/12096 50.0 2.665 2.413 3.458 0.000 0.043 0.000 3/12096 60.0 2.091 1.892 2.704 0.000 0.035 0.000 3/12096 70.0 1.725 1.559 2.225 0.000 0.029 0.000 3/12096 80.0 1.473 1.329 1.896 0.000 0.024 0.000 3/12096 90.0 1.288 1.160 1.656 0.000 0.020 0.000 3/12096 100.0 1.146 1.031 1.473 0.000 0.017 0.000 3/12096 110.0 1.035 0.929 1.329 0.000 0.014 0.000 3/12096 120.0 0.944 0.846 1.212 0.000 0.012 0.000 3/12096 130.0 0.869 0.777 1.115 0.000 0.010 0.000 3/12096 140.0 0.805 0.719 1.033 0.000 0.009 0.000 3/12096 150.0 0.750 0.669 0.963 0.000 0.007 0.000 3/12096 160.0 0.703 0.626 0.902 0.000 0.006 0.000 3/12096 170.0 0.661 0.588 0.849 0.000 0.006 0.000 3/12096 180.0 0.625 0.555 0.802 0.000 0.005 0.000 3/12096 190.0 0.592 0.525 0.760 0.000 0.004 0.000 3/12096 200.0 0.562 0.499 0.722 0.000 0.004 0.000 3/12096 210.0 0.536 0.475 0.688 0.000 0.003 0.000 3/12096 220.0 0.511 0.453 0.657 0.000 0.003 0.000 3/12096 230.0 0.489 0.433 0.629 0.000 0.002 0.000 3/12096 240.0 0.469 0.415 0.603 0.000 0.002 0.000 3/12096 250.0 0.450 0.398 0.579 0.000 0.002 0.000 3/12096 260.0 0.433 0.383 0.557 0.000 0.002 0.000 3/12096 270.0 0.417 0.369 0.536 0.000 0.002 0.000 3/12096 280.0 0.403 0.355 0.517 0.000 0.001 0.000 3/12096 290.0 0.389 0.343 0.500 0.000 0.001 0.000 3/12096 300.0 0.376 0.332 0.483 0.000 0.001 0.000 3/12096 310.0 0.364 0.321 0.468 0.000 0.001 0.000 3/12096 320.0 0.353 0.311 0.453 0.000 0.001 0.000 3/12096 330.0 0.342 0.301 0.440 0.000 0.001 0.000 3/12096 340.0 0.332 0.293 0.427 0.000 0.001 0.000 3/12096 350.0 0.323 0.284 0.415 0.000 0.001 0.000 3/12096 360.0 0.314 0.276 0.403 0.000 0.001 0.000 3/12096 370.0 0.305 0.269 0.393 0.000 0.001 0.000 3/12096 380.0 0.297 0.262 0.382 0.000 0.000 0.000 3/12096 390.0 0.290 0.255 0.373 0.000 0.000 0.000 3/12096 400.0 0.283 0.249 0.363 0.000 0.000 0.000 3/12096 410.0 0.276 0.243 0.354 0.000 0.000 0.000 3/12096 420.0 0.269 0.237 0.346 0.000 0.000 0.000 3/12096 430.0 0.263 0.231 0.338 0.000 0.000 0.000 3/12096 440.0 0.257 0.226 0.330 0.000 0.000 0.000 3/12096 450.0 0.251 0.221 0.323 0.000 0.000 0.000 3/12096 460.0 0.246 0.216 0.316 0.000 0.000 0.000 3/12096 470.0 0.241 0.212 0.310 0.000 0.000 0.000 3/12096 480.0 0.236 0.207 0.303 0.000 0.000 0.000 3/12096 490.0 0.231 0.203 0.297 0.000 0.000 0.000 3/12096 500.0 0.226 0.199 0.291 0.000 0.000 0.000 3/12096 510.0 0.222 0.195 0.285 0.000 0.000 0.000 3/12096 520.0 0.218 0.191 0.280 0.000 0.000 0.000 3/12096 530.0 0.214 0.188 0.275 0.000 0.000 0.000 3/12096 540.0 0.210 0.184 0.270 0.000 0.000 0.000 3/12096 550.0 0.206 0.181 0.265 0.000 0.000 0.000 3/12096 560.0 0.202 0.178 0.260 0.000 0.000 0.000 3/12096 570.0 0.199 0.175 0.256 0.000 0.000 0.000 3/12096 580.0 0.195 0.172 0.251 0.000 0.000 0.000 3/12096 590.0 0.192 0.169 0.247 0.000 0.000 0.000 3/12096 600.0 0.189 0.166 0.243 0.000 0.000 0.000 3/12096 610.0 0.186 0.163 0.239 0.000 0.000 0.000 3/12096 620.0 0.183 0.160 0.235 0.000 -0.000 0.000 3/12096 630.0 0.180 0.158 0.231 0.000 -0.000 0.000 3/12096 640.0 0.177 0.155 0.228 0.000 -0.000 0.000 3/12096 650.0 0.174 0.153 0.224 0.000 -0.000 0.000 3/12096 660.0 0.172 0.151 0.221 0.000 -0.000 0.000 3/12096 670.0 0.169 0.149 0.218 0.000 -0.000 0.000 3/12096 680.0 0.167 0.146 0.214 0.000 -0.000 0.000 3/12096 690.0 0.164 0.144 0.211 0.000 -0.000 0.000 3/12096 700.0 0.162 0.142 0.208 0.000 -0.000 0.000 3/12096 710.0 0.160 0.140 0.205 0.000 -0.000 0.000 3/12096 720.0 0.157 0.138 0.202 0.000 -0.000 0.000 3/12096 730.0 0.155 0.136 0.200 0.000 -0.000 0.000 3/12096 740.0 0.153 0.134 0.197 0.000 -0.000 0.000 3/12096 750.0 0.151 0.133 0.194 0.000 -0.000 0.000 3/12096 760.0 0.149 0.131 0.192 0.000 -0.000 0.000 3/12096 770.0 0.147 0.129 0.189 0.000 -0.000 0.000 3/12096 780.0 0.145 0.128 0.187 0.000 -0.000 0.000 3/12096 790.0 0.144 0.126 0.185 0.000 -0.000 0.000 3/12096 800.0 0.142 0.124 0.182 0.000 -0.000 0.000 3/12096 810.0 0.140 0.123 0.180 0.000 -0.000 0.000 3/12096 820.0 0.138 0.121 0.178 0.000 -0.000 0.000 3/12096 830.0 0.137 0.120 0.176 0.000 -0.000 0.000 3/12096 840.0 0.135 0.118 0.174 0.000 -0.000 0.000 3/12096 850.0 0.133 0.117 0.172 0.000 -0.000 0.000 3/12096 860.0 0.132 0.116 0.170 0.000 -0.000 0.000 3/12096 870.0 0.130 0.114 0.168 0.000 -0.000 0.000 3/12096 880.0 0.129 0.113 0.166 0.000 -0.000 0.000 3/12096 890.0 0.127 0.112 0.164 0.000 -0.000 0.000 3/12096 900.0 0.126 0.111 0.162 0.000 -0.000 0.000 3/12096 910.0 0.125 0.109 0.160 0.000 -0.000 0.000 3/12096 920.0 0.123 0.108 0.159 0.000 -0.000 0.000 3/12096 930.0 0.122 0.107 0.157 0.000 -0.000 0.000 3/12096 940.0 0.121 0.106 0.155 0.000 -0.000 0.000 3/12096 950.0 0.119 0.105 0.154 0.000 -0.000 0.000 3/12096 960.0 0.118 0.104 0.152 0.000 -0.000 0.000 3/12096 970.0 0.117 0.103 0.150 0.000 -0.000 0.000 3/12096 980.0 0.116 0.102 0.149 0.000 -0.000 0.000 3/12096 990.0 0.115 0.101 0.147 0.000 -0.000 0.000 3/12096 1000.0 0.113 0.100 0.146 0.000 -0.000 0.000 3/12096 Thermal conductivity related properties were written into "kappa-m646.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:10:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|