----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:50:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.813281710016600 0.000000000000000 0.000000000000000 b 0.000000000000000 5.508442579999999 0.000000000000000 c -9.519396341610735 0.000000000000000 14.129171359467637 Atomic positions (fractional): *1 O 0.55467377566614 0.37809608337174 0.89350495274382 15.999 2 O 0.44532622433386 0.62190391662826 0.10649504725618 15.999 3 O 0.55467377566614 0.12190391662826 0.39350495274382 15.999 4 O 0.44532622433386 0.87809608337174 0.60649504725618 15.999 *5 O 0.87393584637579 0.12037515435130 0.07359689630517 15.999 6 O 0.12606415362421 0.62037515435130 0.42640310369483 15.999 7 O 0.12606415362421 0.87962484564870 0.92640310369483 15.999 8 O 0.87393584637579 0.37962484564870 0.57359689630517 15.999 *9 O 0.77862254551082 0.90500514703588 0.26678066961059 15.999 10 O 0.22137745448918 0.40500514703588 0.23321933038941 15.999 11 O 0.22137745448918 0.09499485296412 0.73321933038941 15.999 12 O 0.77862254551082 0.59499485296412 0.76678066961059 15.999 *13 O 0.73625594814381 0.79375746367202 0.59701006974494 15.999 14 O 0.26374405185619 0.29375746367202 0.90298993025506 15.999 15 O 0.26374405185619 0.20624253632798 0.40298993025506 15.999 *16 O 0.17032344717011 0.32876236238431 0.04898865820028 15.999 *17 O 0.47864830063366 0.28923134590129 0.71718530871480 15.999 18 O 0.52135169936634 0.78923134590129 0.78281469128520 15.999 19 O 0.52135169936634 0.71076865409871 0.28281469128520 15.999 20 O 0.47864830063366 0.21076865409871 0.21718530871480 15.999 *21 O 0.95195360022676 0.19676285915408 0.75000861006098 15.999 22 O 0.04804639977324 0.69676285915408 0.74999138993902 15.999 23 O 0.04804639977324 0.80323714084592 0.24999138993902 15.999 24 O 0.95195360022676 0.30323714084592 0.25000861006098 15.999 *25 O 0.19858663932704 0.69760732807600 0.62951632737947 15.999 26 O 0.80141336067296 0.19760732807600 0.87048367262053 15.999 27 O 0.80141336067296 0.30239267192400 0.37048367262053 15.999 28 O 0.19858663932704 0.80239267192400 0.12951632737947 15.999 *29 O 0.61698793368156 0.32055012404048 0.60138373579834 15.999 30 O 0.38301206631844 0.82055012404048 0.89861626420166 15.999 31 O 0.38301206631844 0.67944987595952 0.39861626420166 15.999 32 O 0.61698793368156 0.17944987595952 0.10138373579834 15.999 33 O 0.17032344717011 0.17123763761569 0.54898865820028 15.999 34 O 0.82967655282988 0.67123763761569 0.95101134179972 15.999 35 O 0.82967655282988 0.82876236238431 0.45101134179972 15.999 36 O 0.73625594814381 0.70624253632798 0.09701006974494 15.999 *37 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 *38 Ca 0.95482847476004 0.52124234568990 0.10895116373236 40.078 39 Ca 0.04517152523995 0.02124234568990 0.39104883626764 40.078 40 Ca 0.04517152523995 0.47875765431010 0.89104883626764 40.078 41 Ca 0.95482847476004 0.97875765431010 0.60895116373236 40.078 *42 Ca 0.28786148924183 0.99823886897117 0.27097516328045 40.078 43 Ca 0.71213851075817 0.49823886897117 0.22902483671955 40.078 44 Ca 0.71213851075817 0.00176113102883 0.72902483671955 40.078 *45 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 46 Ca 0.28786148924183 0.50176113102883 0.77097516328045 40.078 47 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 48 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 *49 Ca 0.37671739444704 0.48349916377553 0.57396662698424 40.078 50 Ca 0.62328260555296 0.98349916377553 0.92603337301576 40.078 51 Ca 0.62328260555296 0.51650083622447 0.42603337301576 40.078 52 Ca 0.37671739444704 0.01650083622447 0.07396662698424 40.078 *53 Nb 0.32926884198412 0.50773711329305 0.16159895973103 92.906 *54 Nb 0.17710969026907 0.98854139321467 0.83736422567018 92.906 55 Nb 0.82289030973093 0.48854139321467 0.66263577432982 92.906 56 Nb 0.82289030973093 0.01145860678533 0.16263577432982 92.906 57 Nb 0.17710969026907 0.51145860678533 0.33736422567018 92.906 58 Nb 0.32926884198412 0.99226288670695 0.66159895973103 92.906 59 Nb 0.67073115801588 0.49226288670695 0.83840104026897 92.906 60 Nb 0.67073115801588 0.00773711329305 0.33840104026897 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.813281710016600 0.000000000000000 0.000000000000000 b 0.000000000000000 5.508442579999999 0.000000000000000 c -9.519396341610735 0.000000000000000 14.129171359467637 Atomic positions (fractional): *1 O 0.55467377566614 0.37809608337174 0.89350495274382 15.999 > 1 2 O 0.44532622433386 0.62190391662826 0.10649504725618 15.999 > 2 3 O 0.55467377566614 0.12190391662826 0.39350495274382 15.999 > 3 4 O 0.44532622433386 0.87809608337174 0.60649504725618 15.999 > 4 *5 O 0.87393584637579 0.12037515435130 0.07359689630517 15.999 > 5 6 O 0.12606415362421 0.62037515435130 0.42640310369483 15.999 > 6 7 O 0.12606415362421 0.87962484564870 0.92640310369483 15.999 > 7 8 O 0.87393584637579 0.37962484564870 0.57359689630517 15.999 > 8 *9 O 0.77862254551082 0.90500514703588 0.26678066961059 15.999 > 9 10 O 0.22137745448918 0.40500514703588 0.23321933038941 15.999 > 10 11 O 0.22137745448918 0.09499485296412 0.73321933038941 15.999 > 11 12 O 0.77862254551082 0.59499485296412 0.76678066961059 15.999 > 12 *13 O 0.73625594814381 0.79375746367202 0.59701006974494 15.999 > 13 14 O 0.26374405185619 0.29375746367202 0.90298993025506 15.999 > 14 15 O 0.26374405185619 0.20624253632798 0.40298993025506 15.999 > 15 *16 O 0.17032344717011 0.32876236238431 0.04898865820028 15.999 > 16 *17 O 0.47864830063366 0.28923134590129 0.71718530871480 15.999 > 17 18 O 0.52135169936634 0.78923134590129 0.78281469128520 15.999 > 18 19 O 0.52135169936634 0.71076865409871 0.28281469128520 15.999 > 19 20 O 0.47864830063366 0.21076865409871 0.21718530871480 15.999 > 20 *21 O 0.95195360022676 0.19676285915408 0.75000861006098 15.999 > 21 22 O 0.04804639977324 0.69676285915408 0.74999138993902 15.999 > 22 23 O 0.04804639977324 0.80323714084592 0.24999138993902 15.999 > 23 24 O 0.95195360022676 0.30323714084592 0.25000861006098 15.999 > 24 *25 O 0.19858663932704 0.69760732807600 0.62951632737947 15.999 > 25 26 O 0.80141336067296 0.19760732807600 0.87048367262053 15.999 > 26 27 O 0.80141336067296 0.30239267192400 0.37048367262053 15.999 > 27 28 O 0.19858663932704 0.80239267192400 0.12951632737947 15.999 > 28 *29 O 0.61698793368156 0.32055012404048 0.60138373579834 15.999 > 29 30 O 0.38301206631844 0.82055012404048 0.89861626420166 15.999 > 30 31 O 0.38301206631844 0.67944987595952 0.39861626420166 15.999 > 31 32 O 0.61698793368156 0.17944987595952 0.10138373579834 15.999 > 32 33 O 0.17032344717011 0.17123763761569 0.54898865820028 15.999 > 33 34 O 0.82967655282988 0.67123763761569 0.95101134179972 15.999 > 34 35 O 0.82967655282988 0.82876236238431 0.45101134179972 15.999 > 35 36 O 0.73625594814381 0.70624253632798 0.09701006974494 15.999 > 36 *37 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 37 *38 Ca 0.95482847476004 0.52124234568990 0.10895116373236 40.078 > 38 39 Ca 0.04517152523995 0.02124234568990 0.39104883626764 40.078 > 39 40 Ca 0.04517152523995 0.47875765431010 0.89104883626764 40.078 > 40 41 Ca 0.95482847476004 0.97875765431010 0.60895116373236 40.078 > 41 *42 Ca 0.28786148924183 0.99823886897117 0.27097516328045 40.078 > 42 43 Ca 0.71213851075817 0.49823886897117 0.22902483671955 40.078 > 43 44 Ca 0.71213851075817 0.00176113102883 0.72902483671955 40.078 > 44 *45 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 45 46 Ca 0.28786148924183 0.50176113102883 0.77097516328045 40.078 > 46 47 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 47 48 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 48 *49 Ca 0.37671739444704 0.48349916377553 0.57396662698424 40.078 > 49 50 Ca 0.62328260555296 0.98349916377553 0.92603337301576 40.078 > 50 51 Ca 0.62328260555296 0.51650083622447 0.42603337301576 40.078 > 51 52 Ca 0.37671739444704 0.01650083622447 0.07396662698424 40.078 > 52 *53 Nb 0.32926884198412 0.50773711329305 0.16159895973103 92.906 > 53 *54 Nb 0.17710969026907 0.98854139321467 0.83736422567018 92.906 > 54 55 Nb 0.82289030973093 0.48854139321467 0.66263577432982 92.906 > 55 56 Nb 0.82289030973093 0.01145860678533 0.16263577432982 92.906 > 56 57 Nb 0.17710969026907 0.51145860678533 0.33736422567018 92.906 > 57 58 Nb 0.32926884198412 0.99226288670695 0.66159895973103 92.906 > 58 59 Nb 0.67073115801588 0.49226288670695 0.83840104026897 92.906 > 59 60 Nb 0.67073115801588 0.00773711329305 0.33840104026897 92.906 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.813281710016600 0.000000000000000 0.000000000000000 b 0.000000000000000 11.016885159999998 0.000000000000000 c -9.519396341610735 0.000000000000000 14.129171359467637 Atomic positions (fractional): *1 O 0.55467377566614 0.18904804168587 0.89350495274382 15.999 > 1 2 O 0.55467377566614 0.68904804168587 0.89350495274382 15.999 > 1 3 O 0.44532622433386 0.31095195831413 0.10649504725618 15.999 > 2 4 O 0.44532622433386 0.81095195831413 0.10649504725618 15.999 > 2 5 O 0.55467377566614 0.06095195831413 0.39350495274382 15.999 > 3 6 O 0.55467377566614 0.56095195831413 0.39350495274382 15.999 > 3 7 O 0.44532622433386 0.43904804168587 0.60649504725618 15.999 > 4 8 O 0.44532622433386 0.93904804168587 0.60649504725618 15.999 > 4 *9 O 0.87393584637579 0.06018757717565 0.07359689630517 15.999 > 5 10 O 0.87393584637579 0.56018757717565 0.07359689630517 15.999 > 5 11 O 0.12606415362421 0.31018757717565 0.42640310369483 15.999 > 6 12 O 0.12606415362421 0.81018757717565 0.42640310369483 15.999 > 6 13 O 0.12606415362421 0.43981242282435 0.92640310369483 15.999 > 7 14 O 0.12606415362421 0.93981242282435 0.92640310369483 15.999 > 7 15 O 0.87393584637579 0.18981242282435 0.57359689630517 15.999 > 8 16 O 0.87393584637579 0.68981242282435 0.57359689630517 15.999 > 8 *17 O 0.77862254551082 0.45250257351794 0.26678066961059 15.999 > 9 18 O 0.77862254551082 0.95250257351794 0.26678066961059 15.999 > 9 19 O 0.22137745448918 0.20250257351794 0.23321933038941 15.999 > 10 20 O 0.22137745448918 0.70250257351794 0.23321933038941 15.999 > 10 21 O 0.22137745448918 0.04749742648206 0.73321933038941 15.999 > 11 22 O 0.22137745448918 0.54749742648206 0.73321933038941 15.999 > 11 23 O 0.77862254551082 0.29749742648206 0.76678066961059 15.999 > 12 24 O 0.77862254551082 0.79749742648206 0.76678066961059 15.999 > 12 *25 O 0.73625594814381 0.39687873183601 0.59701006974494 15.999 > 13 26 O 0.73625594814381 0.89687873183601 0.59701006974494 15.999 > 13 27 O 0.26374405185619 0.14687873183601 0.90298993025506 15.999 > 14 28 O 0.26374405185619 0.64687873183601 0.90298993025506 15.999 > 14 29 O 0.26374405185619 0.10312126816399 0.40298993025506 15.999 > 15 30 O 0.26374405185619 0.60312126816399 0.40298993025506 15.999 > 15 *31 O 0.17032344717011 0.16438118119216 0.04898865820028 15.999 > 16 32 O 0.17032344717011 0.66438118119216 0.04898865820028 15.999 > 16 *33 O 0.47864830063366 0.14461567295065 0.71718530871480 15.999 > 17 34 O 0.47864830063366 0.64461567295065 0.71718530871480 15.999 > 17 35 O 0.52135169936634 0.39461567295065 0.78281469128520 15.999 > 18 36 O 0.52135169936634 0.89461567295065 0.78281469128520 15.999 > 18 37 O 0.52135169936634 0.35538432704935 0.28281469128520 15.999 > 19 38 O 0.52135169936634 0.85538432704935 0.28281469128520 15.999 > 19 39 O 0.47864830063366 0.10538432704935 0.21718530871480 15.999 > 20 40 O 0.47864830063366 0.60538432704935 0.21718530871480 15.999 > 20 *41 O 0.95195360022676 0.09838142957704 0.75000861006098 15.999 > 21 42 O 0.95195360022676 0.59838142957704 0.75000861006098 15.999 > 21 43 O 0.04804639977324 0.34838142957704 0.74999138993902 15.999 > 22 44 O 0.04804639977324 0.84838142957704 0.74999138993902 15.999 > 22 45 O 0.04804639977324 0.40161857042296 0.24999138993902 15.999 > 23 46 O 0.04804639977324 0.90161857042296 0.24999138993902 15.999 > 23 47 O 0.95195360022676 0.15161857042296 0.25000861006098 15.999 > 24 48 O 0.95195360022676 0.65161857042296 0.25000861006098 15.999 > 24 *49 O 0.19858663932704 0.34880366403800 0.62951632737947 15.999 > 25 50 O 0.19858663932704 0.84880366403800 0.62951632737947 15.999 > 25 51 O 0.80141336067296 0.09880366403800 0.87048367262053 15.999 > 26 52 O 0.80141336067296 0.59880366403800 0.87048367262053 15.999 > 26 53 O 0.80141336067296 0.15119633596200 0.37048367262053 15.999 > 27 54 O 0.80141336067296 0.65119633596200 0.37048367262053 15.999 > 27 55 O 0.19858663932704 0.40119633596200 0.12951632737947 15.999 > 28 56 O 0.19858663932704 0.90119633596200 0.12951632737947 15.999 > 28 *57 O 0.61698793368156 0.16027506202024 0.60138373579834 15.999 > 29 58 O 0.61698793368156 0.66027506202024 0.60138373579834 15.999 > 29 59 O 0.38301206631844 0.41027506202024 0.89861626420166 15.999 > 30 60 O 0.38301206631844 0.91027506202024 0.89861626420166 15.999 > 30 61 O 0.38301206631844 0.33972493797976 0.39861626420166 15.999 > 31 62 O 0.38301206631844 0.83972493797976 0.39861626420166 15.999 > 31 63 O 0.61698793368156 0.08972493797976 0.10138373579834 15.999 > 32 64 O 0.61698793368156 0.58972493797976 0.10138373579834 15.999 > 32 65 O 0.17032344717011 0.08561881880784 0.54898865820028 15.999 > 33 66 O 0.17032344717011 0.58561881880784 0.54898865820028 15.999 > 33 67 O 0.82967655282988 0.33561881880784 0.95101134179972 15.999 > 34 68 O 0.82967655282988 0.83561881880784 0.95101134179972 15.999 > 34 69 O 0.82967655282988 0.41438118119216 0.45101134179972 15.999 > 35 70 O 0.82967655282988 0.91438118119216 0.45101134179972 15.999 > 35 71 O 0.73625594814381 0.35312126816399 0.09701006974494 15.999 > 36 72 O 0.73625594814381 0.85312126816399 0.09701006974494 15.999 > 36 *73 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 37 74 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 37 *75 Ca 0.95482847476004 0.26062117284495 0.10895116373236 40.078 > 38 76 Ca 0.95482847476004 0.76062117284495 0.10895116373236 40.078 > 38 77 Ca 0.04517152523995 0.01062117284495 0.39104883626764 40.078 > 39 78 Ca 0.04517152523995 0.51062117284495 0.39104883626764 40.078 > 39 79 Ca 0.04517152523995 0.23937882715505 0.89104883626764 40.078 > 40 80 Ca 0.04517152523995 0.73937882715505 0.89104883626764 40.078 > 40 81 Ca 0.95482847476004 0.48937882715505 0.60895116373236 40.078 > 41 82 Ca 0.95482847476004 0.98937882715505 0.60895116373236 40.078 > 41 *83 Ca 0.28786148924183 0.49911943448559 0.27097516328045 40.078 > 42 84 Ca 0.28786148924183 0.99911943448559 0.27097516328045 40.078 > 42 85 Ca 0.71213851075817 0.24911943448559 0.22902483671955 40.078 > 43 86 Ca 0.71213851075817 0.74911943448559 0.22902483671955 40.078 > 43 87 Ca 0.71213851075817 0.00088056551441 0.72902483671955 40.078 > 44 88 Ca 0.71213851075817 0.50088056551441 0.72902483671955 40.078 > 44 *89 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 45 90 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 45 91 Ca 0.28786148924183 0.25088056551441 0.77097516328045 40.078 > 46 92 Ca 0.28786148924183 0.75088056551441 0.77097516328045 40.078 > 46 93 Ca 0.00000000000000 0.25000000000000 0.50000000000000 40.078 > 47 94 Ca 0.00000000000000 0.75000000000000 0.50000000000000 40.078 > 47 95 Ca 0.50000000000000 0.25000000000000 0.00000000000000 40.078 > 48 96 Ca 0.50000000000000 0.75000000000000 0.00000000000000 40.078 > 48 *97 Ca 0.37671739444704 0.24174958188777 0.57396662698424 40.078 > 49 98 Ca 0.37671739444704 0.74174958188777 0.57396662698424 40.078 > 49 99 Ca 0.62328260555296 0.49174958188777 0.92603337301576 40.078 > 50 100 Ca 0.62328260555296 0.99174958188777 0.92603337301576 40.078 > 50 101 Ca 0.62328260555296 0.25825041811223 0.42603337301576 40.078 > 51 102 Ca 0.62328260555296 0.75825041811223 0.42603337301576 40.078 > 51 103 Ca 0.37671739444704 0.00825041811223 0.07396662698424 40.078 > 52 104 Ca 0.37671739444704 0.50825041811223 0.07396662698424 40.078 > 52 *105 Nb 0.32926884198412 0.25386855664652 0.16159895973103 92.906 > 53 106 Nb 0.32926884198412 0.75386855664652 0.16159895973103 92.906 > 53 *107 Nb 0.17710969026907 0.49427069660734 0.83736422567018 92.906 > 54 108 Nb 0.17710969026907 0.99427069660734 0.83736422567018 92.906 > 54 109 Nb 0.82289030973093 0.24427069660734 0.66263577432982 92.906 > 55 110 Nb 0.82289030973093 0.74427069660734 0.66263577432982 92.906 > 55 111 Nb 0.82289030973093 0.00572930339266 0.16263577432982 92.906 > 56 112 Nb 0.82289030973093 0.50572930339266 0.16263577432982 92.906 > 56 113 Nb 0.17710969026907 0.25572930339266 0.33736422567018 92.906 > 57 114 Nb 0.17710969026907 0.75572930339266 0.33736422567018 92.906 > 57 115 Nb 0.32926884198412 0.49613144335348 0.66159895973103 92.906 > 58 116 Nb 0.32926884198412 0.99613144335348 0.66159895973103 92.906 > 58 117 Nb 0.67073115801588 0.24613144335348 0.83840104026897 92.906 > 59 118 Nb 0.67073115801588 0.74613144335348 0.83840104026897 92.906 > 59 119 Nb 0.67073115801588 0.00386855664652 0.33840104026897 92.906 > 60 120 Nb 0.67073115801588 0.50386855664652 0.33840104026897 92.906 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7938640 0.0000000 0.0313716 0.0000000 4.8608784 0.0000000 0.0313609 0.0000000 4.5935826 -------------------------- Born effective charges -------------------------- 1 O -3.2600816 -0.4502101 0.7504322 -0.3944225 -2.1027226 0.2787295 0.8672643 0.4242437 -2.1119328 2 O -3.2600816 -0.4502101 0.7504322 -0.3944225 -2.1027226 0.2787295 0.8672643 0.4242437 -2.1119328 3 O -3.2600816 0.4502101 0.7504322 0.3944225 -2.1027226 -0.2787295 0.8672643 -0.4242437 -2.1119328 4 O -3.2600816 0.4502101 0.7504322 0.3944225 -2.1027226 -0.2787295 0.8672643 -0.4242437 -2.1119328 5 O -2.7557759 -0.6128577 1.0900135 -0.4388351 -1.9743323 0.2769111 1.0816052 0.2029977 -2.7571401 6 O -2.7557759 0.6128577 1.0900135 0.4388351 -1.9743323 -0.2769111 1.0816052 -0.2029977 -2.7571401 7 O -2.7557759 -0.6128577 1.0900135 -0.4388351 -1.9743323 0.2769111 1.0816052 0.2029977 -2.7571401 8 O -2.7557759 0.6128577 1.0900135 0.4388351 -1.9743323 -0.2769111 1.0816052 -0.2029977 -2.7571401 9 O -3.9822176 -0.0653838 1.4918996 0.0686783 -1.9673736 -0.0802751 1.3216113 -0.1181969 -2.4601496 10 O -3.9822176 0.0653838 1.4918996 -0.0686783 -1.9673736 0.0802751 1.3216113 0.1181969 -2.4601496 11 O -3.9822176 -0.0653838 1.4918996 0.0686783 -1.9673736 -0.0802751 1.3216113 -0.1181969 -2.4601496 12 O -3.9822176 0.0653838 1.4918996 -0.0686783 -1.9673736 0.0802751 1.3216113 0.1181969 -2.4601496 13 O -1.8498278 0.2764478 -0.2397016 0.1549996 -3.3810856 0.8430454 -0.2022934 1.0125367 -2.2985611 14 O -1.8498278 -0.2764478 -0.2397016 -0.1549996 -3.3810856 -0.8430454 -0.2022934 -1.0125367 -2.2985611 15 O -1.8498278 0.2764478 -0.2397016 0.1549996 -3.3810856 0.8430454 -0.2022934 1.0125367 -2.2985611 16 O -1.7728572 -0.3551357 -0.5982686 -0.2475400 -2.4159620 -1.0798446 -0.5071206 -1.0502204 -3.4621603 17 O -2.1603250 -1.0286410 -0.6767900 -1.0847685 -3.5401560 -1.1697665 -0.7397755 -1.1324656 -2.5735732 18 O -2.1603250 1.0286410 -0.6767900 1.0847685 -3.5401560 1.1697665 -0.7397755 1.1324656 -2.5735732 19 O -2.1603250 -1.0286410 -0.6767900 -1.0847685 -3.5401560 -1.1697665 -0.7397755 -1.1324656 -2.5735732 20 O -2.1603250 1.0286410 -0.6767900 1.0847685 -3.5401560 1.1697665 -0.7397755 1.1324656 -2.5735732 21 O -2.4735748 1.0578331 -0.9042277 0.9880909 -3.3696604 1.2499820 -0.6744840 1.1019044 -2.4374240 22 O -2.4735748 -1.0578331 -0.9042277 -0.9880909 -3.3696604 -1.2499820 -0.6744840 -1.1019044 -2.4374240 23 O -2.4735748 1.0578331 -0.9042277 0.9880909 -3.3696604 1.2499820 -0.6744840 1.1019044 -2.4374240 24 O -2.4735748 -1.0578331 -0.9042277 -0.9880909 -3.3696604 -1.2499820 -0.6744840 -1.1019044 -2.4374240 25 O -2.2671941 -0.8229633 -0.2939000 -0.7713736 -3.1556610 -0.4246577 -0.3759227 -0.6037629 -2.0218006 26 O -2.2671941 0.8229633 -0.2939000 0.7713736 -3.1556610 0.4246577 -0.3759227 0.6037629 -2.0218006 27 O -2.2671941 -0.8229633 -0.2939000 -0.7713736 -3.1556610 -0.4246577 -0.3759227 -0.6037629 -2.0218006 28 O -2.2671941 0.8229633 -0.2939000 0.7713736 -3.1556610 0.4246577 -0.3759227 0.6037629 -2.0218006 29 O -2.9937105 -0.8217560 -0.7724105 -0.8987920 -2.2385696 -0.5352254 -0.9039477 -0.5919320 -2.1018657 30 O -2.9937105 0.8217560 -0.7724105 0.8987920 -2.2385696 0.5352254 -0.9039477 0.5919320 -2.1018657 31 O -2.9937105 -0.8217560 -0.7724105 -0.8987920 -2.2385696 -0.5352254 -0.9039477 -0.5919320 -2.1018657 32 O -2.9937105 0.8217560 -0.7724105 0.8987920 -2.2385696 0.5352254 -0.9039477 0.5919320 -2.1018657 33 O -1.7728572 0.3551357 -0.5982686 0.2475400 -2.4159620 1.0798446 -0.5071206 1.0502204 -3.4621603 34 O -1.7728572 -0.3551357 -0.5982686 -0.2475400 -2.4159620 -1.0798446 -0.5071206 -1.0502204 -3.4621603 35 O -1.7728572 0.3551357 -0.5982686 0.2475400 -2.4159620 1.0798446 -0.5071206 1.0502204 -3.4621603 36 O -1.8498278 -0.2764478 -0.2397016 -0.1549996 -3.3810856 -0.8430454 -0.2022934 -1.0125367 -2.2985611 37 Ca 2.7066855 0.4501169 -0.0433314 -0.4870092 2.8011421 -0.0086558 0.0223824 -0.0592677 3.4928922 38 Ca 2.4628421 0.0639783 0.2482707 -0.2503828 2.3258880 -0.0671869 0.0179422 -0.1829442 2.5536925 39 Ca 2.4628421 -0.0639783 0.2482707 0.2503828 2.3258880 0.0671869 0.0179422 0.1829442 2.5536925 40 Ca 2.4628421 0.0639783 0.2482707 -0.2503828 2.3258880 -0.0671869 0.0179422 -0.1829442 2.5536925 41 Ca 2.4628421 -0.0639783 0.2482707 0.2503828 2.3258880 0.0671869 0.0179422 0.1829442 2.5536925 42 Ca 2.5798606 0.1835251 -0.0750654 0.0836745 2.7806613 0.2779622 -0.0159991 0.0553504 1.7354428 43 Ca 2.5798606 -0.1835251 -0.0750654 -0.0836745 2.7806613 -0.2779622 -0.0159991 -0.0553504 1.7354428 44 Ca 2.5798606 0.1835251 -0.0750654 0.0836745 2.7806613 0.2779622 -0.0159991 0.0553504 1.7354428 45 Ca 3.0881423 -0.1951687 0.2694900 0.1563671 2.8030942 -0.5925844 0.0945758 0.4322259 3.1591776 46 Ca 2.5798606 -0.1835251 -0.0750654 -0.0836745 2.7806613 -0.2779622 -0.0159991 -0.0553504 1.7354428 47 Ca 3.0881423 0.1951687 0.2694900 -0.1563671 2.8030942 0.5925844 0.0945758 -0.4322259 3.1591776 48 Ca 2.7066855 -0.4501169 -0.0433314 0.4870092 2.8011421 0.0086558 0.0223824 0.0592677 3.4928922 49 Ca 2.1641196 -0.2584149 -0.0578859 0.0572556 2.5473072 -0.0822696 0.1006741 -0.1736019 2.7572106 50 Ca 2.1641196 0.2584149 -0.0578859 -0.0572556 2.5473072 0.0822696 0.1006741 0.1736019 2.7572106 51 Ca 2.1641196 -0.2584149 -0.0578859 0.0572556 2.5473072 -0.0822696 0.1006741 -0.1736019 2.7572106 52 Ca 2.1641196 0.2584149 -0.0578859 -0.0572556 2.5473072 0.0822696 0.1006741 0.1736019 2.7572106 53 Nb 6.8128158 0.1606178 0.1108254 -0.1822941 6.9096197 0.7106911 -0.0071785 -0.3037760 5.8796148 54 Nb 6.5985125 0.5024924 -0.1862709 -0.7714614 6.7799288 0.0718736 -0.0208546 0.0381942 5.9726118 55 Nb 6.5985125 -0.5024924 -0.1862709 0.7714614 6.7799288 -0.0718736 -0.0208546 -0.0381942 5.9726118 56 Nb 6.5985125 0.5024924 -0.1862709 -0.7714614 6.7799288 0.0718736 -0.0208546 0.0381942 5.9726118 57 Nb 6.5985125 -0.5024924 -0.1862709 0.7714614 6.7799288 -0.0718736 -0.0208546 -0.0381942 5.9726118 58 Nb 6.8128158 -0.1606178 0.1108254 0.1822941 6.9096197 -0.7106911 -0.0071785 0.3037760 5.8796148 59 Nb 6.8128158 0.1606178 0.1108254 -0.1822941 6.9096197 0.7106911 -0.0071785 -0.3037760 5.8796148 60 Nb 6.8128158 -0.1606178 0.1108254 0.1822941 6.9096197 -0.7106911 -0.0071785 0.3037760 5.8796148 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8253 Number of blocks in projector: 8253 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: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 1804 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1804 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1804 / 1804 (1) 277 eigenvectors found. (1) Complementary block size: 113 (1) Compute compressed projector. (1) Use standard solver. (1) 81 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 1804 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1804 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1804 / 1804 (1) 277 eigenvectors found. (1) Complementary block size: 113 (1) Compute compressed projector. (1) Use standard solver. (1) 81 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 1804 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 1804 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1804 / 1804 (1) 289 eigenvectors found. (1) Complementary block size: 94 (1) Compute compressed projector. (1) Use standard solver. (1) 63 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 431 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 431 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 431 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. Tree of FC basis block matrices: - (8253, 8110), data: False |-- (947, 931), data: False |-- (947, 16), data: (947, 32) @ (32, 16) |-- (447, 431), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (947, 931), data: False |-- (947, 16), data: (947, 32) @ (32, 16) |-- (447, 431), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (947, 931), data: False |-- (947, 16), data: (947, 32) @ (32, 16) |-- (447, 431), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1804, 1773), data: False |-- (1804, 63), data: (1804, 94) @ (94, 63) |-- (304, 289), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True |-- (1804, 1772), data: False |-- (1804, 81), data: (1804, 113) @ (113, 81) |-- (304, 277), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 31), data: (500, 63) @ (63, 31) |-- (250, 219), data: True |-- (250, 218), data: True |-- (1804, 1772), data: False |-- (1804, 81), data: (1804, 113) @ (113, 81) |-- (304, 277), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 31), data: (500, 63) @ (63, 31) |-- (250, 219), data: True |-- (250, 218), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.371 Solver_block: 200 / 1840 - Time: 2.087 Solver_block: 300 / 1840 - Time: 2.080 Solver_block: 400 / 1840 - Time: 2.090 Solver_block: 500 / 1840 - Time: 2.097 Solver_block: 600 / 1840 - Time: 2.093 Solver_block: 700 / 1840 - Time: 2.088 Solver_block: 800 / 1840 - Time: 2.084 Solver_block: 900 / 1840 - Time: 2.077 Solver_block: 1000 / 1840 - Time: 2.088 Solver_block: 1100 / 1840 - Time: 2.088 Solver_block: 1200 / 1840 - Time: 2.091 Solver_block: 1300 / 1840 - Time: 2.095 Solver_block: 1400 / 1840 - Time: 2.088 Solver_block: 1500 / 1840 - Time: 2.079 Solver_block: 1600 / 1840 - Time: 2.083 Solver_block: 1700 / 1840 - Time: 2.097 Solver_block: 1800 / 1840 - Time: 2.089 Solver_block: 1840 / 1840 - Time: 1.010 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 39.978 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8253 Number of blocks in projector: 8253 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: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 1804 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1804 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1804 / 1804 (1) 277 eigenvectors found. (1) Complementary block size: 113 (1) Compute compressed projector. (1) Use standard solver. (1) 81 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 1804 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1804 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1804 / 1804 (1) 277 eigenvectors found. (1) Complementary block size: 113 (1) Compute compressed projector. (1) Use standard solver. (1) 81 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 1804 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 1804 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1804 / 1804 (1) 289 eigenvectors found. (1) Complementary block size: 94 (1) Compute compressed projector. (1) Use standard solver. (1) 63 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 431 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 431 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 431 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. Tree of FC basis block matrices: - (8253, 8110), data: False |-- (947, 931), data: False |-- (947, 16), data: (947, 32) @ (32, 16) |-- (447, 431), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (947, 931), data: False |-- (947, 16), data: (947, 32) @ (32, 16) |-- (447, 431), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (947, 931), data: False |-- (947, 16), data: (947, 32) @ (32, 16) |-- (447, 431), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1804, 1773), data: False |-- (1804, 63), data: (1804, 94) @ (94, 63) |-- (304, 289), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True |-- (1804, 1772), data: False |-- (1804, 81), data: (1804, 113) @ (113, 81) |-- (304, 277), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 31), data: (500, 63) @ (63, 31) |-- (250, 219), data: True |-- (250, 218), data: True |-- (1804, 1772), data: False |-- (1804, 81), data: (1804, 113) @ (113, 81) |-- (304, 277), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 31), data: (500, 63) @ (63, 31) |-- (250, 219), data: True |-- (250, 218), 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 08:52:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:52:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.813281710016600 0.000000000000000 0.000000000000000 b 0.000000000000000 5.508442579999999 0.000000000000000 c -9.519396341610735 0.000000000000000 14.129171359467637 Atomic positions (fractional): 1 O 0.55467377566614 0.37809608337174 0.89350495274382 15.999 2 O 0.44532622433386 0.62190391662826 0.10649504725618 15.999 3 O 0.55467377566614 0.12190391662826 0.39350495274382 15.999 4 O 0.44532622433386 0.87809608337174 0.60649504725618 15.999 5 O 0.87393584637579 0.12037515435130 0.07359689630517 15.999 6 O 0.12606415362421 0.62037515435130 0.42640310369483 15.999 7 O 0.12606415362421 0.87962484564870 0.92640310369483 15.999 8 O 0.87393584637579 0.37962484564870 0.57359689630517 15.999 9 O 0.77862254551082 0.90500514703588 0.26678066961059 15.999 10 O 0.22137745448918 0.40500514703588 0.23321933038941 15.999 11 O 0.22137745448918 0.09499485296412 0.73321933038941 15.999 12 O 0.77862254551082 0.59499485296412 0.76678066961059 15.999 13 O 0.73625594814381 0.79375746367202 0.59701006974494 15.999 14 O 0.26374405185619 0.29375746367202 0.90298993025506 15.999 15 O 0.26374405185619 0.20624253632798 0.40298993025506 15.999 16 O 0.17032344717011 0.32876236238431 0.04898865820028 15.999 17 O 0.47864830063366 0.28923134590129 0.71718530871480 15.999 18 O 0.52135169936634 0.78923134590129 0.78281469128520 15.999 19 O 0.52135169936634 0.71076865409871 0.28281469128520 15.999 20 O 0.47864830063366 0.21076865409871 0.21718530871480 15.999 21 O 0.95195360022676 0.19676285915408 0.75000861006098 15.999 22 O 0.04804639977324 0.69676285915408 0.74999138993902 15.999 23 O 0.04804639977324 0.80323714084592 0.24999138993902 15.999 24 O 0.95195360022676 0.30323714084592 0.25000861006098 15.999 25 O 0.19858663932704 0.69760732807600 0.62951632737947 15.999 26 O 0.80141336067296 0.19760732807600 0.87048367262053 15.999 27 O 0.80141336067296 0.30239267192400 0.37048367262053 15.999 28 O 0.19858663932704 0.80239267192400 0.12951632737947 15.999 29 O 0.61698793368156 0.32055012404048 0.60138373579834 15.999 30 O 0.38301206631844 0.82055012404048 0.89861626420166 15.999 31 O 0.38301206631844 0.67944987595952 0.39861626420166 15.999 32 O 0.61698793368156 0.17944987595952 0.10138373579834 15.999 33 O 0.17032344717011 0.17123763761569 0.54898865820028 15.999 34 O 0.82967655282988 0.67123763761569 0.95101134179972 15.999 35 O 0.82967655282988 0.82876236238431 0.45101134179972 15.999 36 O 0.73625594814381 0.70624253632798 0.09701006974494 15.999 37 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 38 Ca 0.95482847476004 0.52124234568990 0.10895116373236 40.078 39 Ca 0.04517152523995 0.02124234568990 0.39104883626764 40.078 40 Ca 0.04517152523995 0.47875765431010 0.89104883626764 40.078 41 Ca 0.95482847476004 0.97875765431010 0.60895116373236 40.078 42 Ca 0.28786148924183 0.99823886897117 0.27097516328045 40.078 43 Ca 0.71213851075817 0.49823886897117 0.22902483671955 40.078 44 Ca 0.71213851075817 0.00176113102883 0.72902483671955 40.078 45 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 46 Ca 0.28786148924183 0.50176113102883 0.77097516328045 40.078 47 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 48 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 49 Ca 0.37671739444704 0.48349916377553 0.57396662698424 40.078 50 Ca 0.62328260555296 0.98349916377553 0.92603337301576 40.078 51 Ca 0.62328260555296 0.51650083622447 0.42603337301576 40.078 52 Ca 0.37671739444704 0.01650083622447 0.07396662698424 40.078 53 Nb 0.32926884198412 0.50773711329305 0.16159895973103 92.906 54 Nb 0.17710969026907 0.98854139321467 0.83736422567018 92.906 55 Nb 0.82289030973093 0.48854139321467 0.66263577432982 92.906 56 Nb 0.82289030973093 0.01145860678533 0.16263577432982 92.906 57 Nb 0.17710969026907 0.51145860678533 0.33736422567018 92.906 58 Nb 0.32926884198412 0.99226288670695 0.66159895973103 92.906 59 Nb 0.67073115801588 0.49226288670695 0.83840104026897 92.906 60 Nb 0.67073115801588 0.00773711329305 0.33840104026897 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.813281710016600 0.000000000000000 0.000000000000000 b 0.000000000000000 11.016885159999998 0.000000000000000 c -9.519396341610735 0.000000000000000 14.129171359467637 Atomic positions (fractional): 1 O 0.55467377566614 0.18904804168587 0.89350495274382 15.999 > 1 2 O 0.55467377566614 0.68904804168587 0.89350495274382 15.999 > 1 3 O 0.44532622433386 0.31095195831413 0.10649504725618 15.999 > 3 4 O 0.44532622433386 0.81095195831413 0.10649504725618 15.999 > 3 5 O 0.55467377566614 0.06095195831413 0.39350495274382 15.999 > 5 6 O 0.55467377566614 0.56095195831413 0.39350495274382 15.999 > 5 7 O 0.44532622433386 0.43904804168587 0.60649504725618 15.999 > 7 8 O 0.44532622433386 0.93904804168587 0.60649504725618 15.999 > 7 9 O 0.87393584637579 0.06018757717565 0.07359689630517 15.999 > 9 10 O 0.87393584637579 0.56018757717565 0.07359689630517 15.999 > 9 11 O 0.12606415362421 0.31018757717565 0.42640310369483 15.999 > 11 12 O 0.12606415362421 0.81018757717565 0.42640310369483 15.999 > 11 13 O 0.12606415362421 0.43981242282435 0.92640310369483 15.999 > 13 14 O 0.12606415362421 0.93981242282435 0.92640310369483 15.999 > 13 15 O 0.87393584637579 0.18981242282435 0.57359689630517 15.999 > 15 16 O 0.87393584637579 0.68981242282435 0.57359689630517 15.999 > 15 17 O 0.77862254551082 0.45250257351794 0.26678066961059 15.999 > 17 18 O 0.77862254551082 0.95250257351794 0.26678066961059 15.999 > 17 19 O 0.22137745448918 0.20250257351794 0.23321933038941 15.999 > 19 20 O 0.22137745448918 0.70250257351794 0.23321933038941 15.999 > 19 21 O 0.22137745448918 0.04749742648206 0.73321933038941 15.999 > 21 22 O 0.22137745448918 0.54749742648206 0.73321933038941 15.999 > 21 23 O 0.77862254551082 0.29749742648206 0.76678066961059 15.999 > 23 24 O 0.77862254551082 0.79749742648206 0.76678066961059 15.999 > 23 25 O 0.73625594814381 0.39687873183601 0.59701006974494 15.999 > 25 26 O 0.73625594814381 0.89687873183601 0.59701006974494 15.999 > 25 27 O 0.26374405185619 0.14687873183601 0.90298993025506 15.999 > 27 28 O 0.26374405185619 0.64687873183601 0.90298993025506 15.999 > 27 29 O 0.26374405185619 0.10312126816399 0.40298993025506 15.999 > 29 30 O 0.26374405185619 0.60312126816399 0.40298993025506 15.999 > 29 31 O 0.17032344717011 0.16438118119216 0.04898865820028 15.999 > 31 32 O 0.17032344717011 0.66438118119216 0.04898865820028 15.999 > 31 33 O 0.47864830063366 0.14461567295065 0.71718530871480 15.999 > 33 34 O 0.47864830063366 0.64461567295065 0.71718530871480 15.999 > 33 35 O 0.52135169936634 0.39461567295065 0.78281469128520 15.999 > 35 36 O 0.52135169936634 0.89461567295065 0.78281469128520 15.999 > 35 37 O 0.52135169936634 0.35538432704935 0.28281469128520 15.999 > 37 38 O 0.52135169936634 0.85538432704935 0.28281469128520 15.999 > 37 39 O 0.47864830063366 0.10538432704935 0.21718530871480 15.999 > 39 40 O 0.47864830063366 0.60538432704935 0.21718530871480 15.999 > 39 41 O 0.95195360022676 0.09838142957704 0.75000861006098 15.999 > 41 42 O 0.95195360022676 0.59838142957704 0.75000861006098 15.999 > 41 43 O 0.04804639977324 0.34838142957704 0.74999138993902 15.999 > 43 44 O 0.04804639977324 0.84838142957704 0.74999138993902 15.999 > 43 45 O 0.04804639977324 0.40161857042296 0.24999138993902 15.999 > 45 46 O 0.04804639977324 0.90161857042296 0.24999138993902 15.999 > 45 47 O 0.95195360022676 0.15161857042296 0.25000861006098 15.999 > 47 48 O 0.95195360022676 0.65161857042296 0.25000861006098 15.999 > 47 49 O 0.19858663932704 0.34880366403800 0.62951632737947 15.999 > 49 50 O 0.19858663932704 0.84880366403800 0.62951632737947 15.999 > 49 51 O 0.80141336067296 0.09880366403800 0.87048367262053 15.999 > 51 52 O 0.80141336067296 0.59880366403800 0.87048367262053 15.999 > 51 53 O 0.80141336067296 0.15119633596200 0.37048367262053 15.999 > 53 54 O 0.80141336067296 0.65119633596200 0.37048367262053 15.999 > 53 55 O 0.19858663932704 0.40119633596200 0.12951632737947 15.999 > 55 56 O 0.19858663932704 0.90119633596200 0.12951632737947 15.999 > 55 57 O 0.61698793368156 0.16027506202024 0.60138373579834 15.999 > 57 58 O 0.61698793368156 0.66027506202024 0.60138373579834 15.999 > 57 59 O 0.38301206631844 0.41027506202024 0.89861626420166 15.999 > 59 60 O 0.38301206631844 0.91027506202024 0.89861626420166 15.999 > 59 61 O 0.38301206631844 0.33972493797976 0.39861626420166 15.999 > 61 62 O 0.38301206631844 0.83972493797976 0.39861626420166 15.999 > 61 63 O 0.61698793368156 0.08972493797976 0.10138373579834 15.999 > 63 64 O 0.61698793368156 0.58972493797976 0.10138373579834 15.999 > 63 65 O 0.17032344717011 0.08561881880784 0.54898865820028 15.999 > 65 66 O 0.17032344717011 0.58561881880784 0.54898865820028 15.999 > 65 67 O 0.82967655282988 0.33561881880784 0.95101134179972 15.999 > 67 68 O 0.82967655282988 0.83561881880784 0.95101134179972 15.999 > 67 69 O 0.82967655282988 0.41438118119216 0.45101134179972 15.999 > 69 70 O 0.82967655282988 0.91438118119216 0.45101134179972 15.999 > 69 71 O 0.73625594814381 0.35312126816399 0.09701006974494 15.999 > 71 72 O 0.73625594814381 0.85312126816399 0.09701006974494 15.999 > 71 73 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 73 74 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 73 75 Ca 0.95482847476004 0.26062117284495 0.10895116373236 40.078 > 75 76 Ca 0.95482847476004 0.76062117284495 0.10895116373236 40.078 > 75 77 Ca 0.04517152523995 0.01062117284495 0.39104883626764 40.078 > 77 78 Ca 0.04517152523995 0.51062117284495 0.39104883626764 40.078 > 77 79 Ca 0.04517152523995 0.23937882715505 0.89104883626764 40.078 > 79 80 Ca 0.04517152523995 0.73937882715505 0.89104883626764 40.078 > 79 81 Ca 0.95482847476004 0.48937882715505 0.60895116373236 40.078 > 81 82 Ca 0.95482847476004 0.98937882715505 0.60895116373236 40.078 > 81 83 Ca 0.28786148924183 0.49911943448559 0.27097516328045 40.078 > 83 84 Ca 0.28786148924183 0.99911943448559 0.27097516328045 40.078 > 83 85 Ca 0.71213851075817 0.24911943448559 0.22902483671955 40.078 > 85 86 Ca 0.71213851075817 0.74911943448559 0.22902483671955 40.078 > 85 87 Ca 0.71213851075817 0.00088056551441 0.72902483671955 40.078 > 87 88 Ca 0.71213851075817 0.50088056551441 0.72902483671955 40.078 > 87 89 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 89 90 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 89 91 Ca 0.28786148924183 0.25088056551441 0.77097516328045 40.078 > 91 92 Ca 0.28786148924183 0.75088056551441 0.77097516328045 40.078 > 91 93 Ca 0.00000000000000 0.25000000000000 0.50000000000000 40.078 > 93 94 Ca 0.00000000000000 0.75000000000000 0.50000000000000 40.078 > 93 95 Ca 0.50000000000000 0.25000000000000 0.00000000000000 40.078 > 95 96 Ca 0.50000000000000 0.75000000000000 0.00000000000000 40.078 > 95 97 Ca 0.37671739444704 0.24174958188777 0.57396662698424 40.078 > 97 98 Ca 0.37671739444704 0.74174958188777 0.57396662698424 40.078 > 97 99 Ca 0.62328260555296 0.49174958188777 0.92603337301576 40.078 > 99 100 Ca 0.62328260555296 0.99174958188777 0.92603337301576 40.078 > 99 101 Ca 0.62328260555296 0.25825041811223 0.42603337301576 40.078 > 101 102 Ca 0.62328260555296 0.75825041811223 0.42603337301576 40.078 > 101 103 Ca 0.37671739444704 0.00825041811223 0.07396662698424 40.078 > 103 104 Ca 0.37671739444704 0.50825041811223 0.07396662698424 40.078 > 103 105 Nb 0.32926884198412 0.25386855664652 0.16159895973103 92.906 > 105 106 Nb 0.32926884198412 0.75386855664652 0.16159895973103 92.906 > 105 107 Nb 0.17710969026907 0.49427069660734 0.83736422567018 92.906 > 107 108 Nb 0.17710969026907 0.99427069660734 0.83736422567018 92.906 > 107 109 Nb 0.82289030973093 0.24427069660734 0.66263577432982 92.906 > 109 110 Nb 0.82289030973093 0.74427069660734 0.66263577432982 92.906 > 109 111 Nb 0.82289030973093 0.00572930339266 0.16263577432982 92.906 > 111 112 Nb 0.82289030973093 0.50572930339266 0.16263577432982 92.906 > 111 113 Nb 0.17710969026907 0.25572930339266 0.33736422567018 92.906 > 113 114 Nb 0.17710969026907 0.75572930339266 0.33736422567018 92.906 > 113 115 Nb 0.32926884198412 0.49613144335348 0.66159895973103 92.906 > 115 116 Nb 0.32926884198412 0.99613144335348 0.66159895973103 92.906 > 115 117 Nb 0.67073115801588 0.24613144335348 0.83840104026897 92.906 > 117 118 Nb 0.67073115801588 0.74613144335348 0.83840104026897 92.906 > 117 119 Nb 0.67073115801588 0.00386855664652 0.33840104026897 92.906 > 119 120 Nb 0.67073115801588 0.50386855664652 0.33840104026897 92.906 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7938640 0.0000000 0.0313716 0.0000000 4.8608784 0.0000000 0.0313609 0.0000000 4.5935826 -------------------------- Born effective charges -------------------------- 1 O -3.2600816 -0.4502101 0.7504322 -0.3944225 -2.1027226 0.2787295 0.8672643 0.4242437 -2.1119328 2 O -3.2600816 -0.4502101 0.7504322 -0.3944225 -2.1027226 0.2787295 0.8672643 0.4242437 -2.1119328 3 O -3.2600816 0.4502101 0.7504322 0.3944225 -2.1027226 -0.2787295 0.8672643 -0.4242437 -2.1119328 4 O -3.2600816 0.4502101 0.7504322 0.3944225 -2.1027226 -0.2787295 0.8672643 -0.4242437 -2.1119328 5 O -2.7557759 -0.6128577 1.0900135 -0.4388351 -1.9743323 0.2769111 1.0816052 0.2029977 -2.7571401 6 O -2.7557759 0.6128577 1.0900135 0.4388351 -1.9743323 -0.2769111 1.0816052 -0.2029977 -2.7571401 7 O -2.7557759 -0.6128577 1.0900135 -0.4388351 -1.9743323 0.2769111 1.0816052 0.2029977 -2.7571401 8 O -2.7557759 0.6128577 1.0900135 0.4388351 -1.9743323 -0.2769111 1.0816052 -0.2029977 -2.7571401 9 O -3.9822176 -0.0653838 1.4918996 0.0686783 -1.9673736 -0.0802751 1.3216113 -0.1181969 -2.4601496 10 O -3.9822176 0.0653838 1.4918996 -0.0686783 -1.9673736 0.0802751 1.3216113 0.1181969 -2.4601496 11 O -3.9822176 -0.0653838 1.4918996 0.0686783 -1.9673736 -0.0802751 1.3216113 -0.1181969 -2.4601496 12 O -3.9822176 0.0653838 1.4918996 -0.0686783 -1.9673736 0.0802751 1.3216113 0.1181969 -2.4601496 13 O -1.8498278 0.2764478 -0.2397016 0.1549996 -3.3810856 0.8430454 -0.2022934 1.0125367 -2.2985611 14 O -1.8498278 -0.2764478 -0.2397016 -0.1549996 -3.3810856 -0.8430454 -0.2022934 -1.0125367 -2.2985611 15 O -1.8498278 0.2764478 -0.2397016 0.1549996 -3.3810856 0.8430454 -0.2022934 1.0125367 -2.2985611 16 O -1.7728572 -0.3551357 -0.5982686 -0.2475400 -2.4159620 -1.0798446 -0.5071206 -1.0502204 -3.4621603 17 O -2.1603250 -1.0286410 -0.6767900 -1.0847685 -3.5401560 -1.1697665 -0.7397755 -1.1324656 -2.5735732 18 O -2.1603250 1.0286410 -0.6767900 1.0847685 -3.5401560 1.1697665 -0.7397755 1.1324656 -2.5735732 19 O -2.1603250 -1.0286410 -0.6767900 -1.0847685 -3.5401560 -1.1697665 -0.7397755 -1.1324656 -2.5735732 20 O -2.1603250 1.0286410 -0.6767900 1.0847685 -3.5401560 1.1697665 -0.7397755 1.1324656 -2.5735732 21 O -2.4735748 1.0578331 -0.9042277 0.9880909 -3.3696604 1.2499820 -0.6744840 1.1019044 -2.4374240 22 O -2.4735748 -1.0578331 -0.9042277 -0.9880909 -3.3696604 -1.2499820 -0.6744840 -1.1019044 -2.4374240 23 O -2.4735748 1.0578331 -0.9042277 0.9880909 -3.3696604 1.2499820 -0.6744840 1.1019044 -2.4374240 24 O -2.4735748 -1.0578331 -0.9042277 -0.9880909 -3.3696604 -1.2499820 -0.6744840 -1.1019044 -2.4374240 25 O -2.2671941 -0.8229633 -0.2939000 -0.7713736 -3.1556610 -0.4246577 -0.3759227 -0.6037629 -2.0218006 26 O -2.2671941 0.8229633 -0.2939000 0.7713736 -3.1556610 0.4246577 -0.3759227 0.6037629 -2.0218006 27 O -2.2671941 -0.8229633 -0.2939000 -0.7713736 -3.1556610 -0.4246577 -0.3759227 -0.6037629 -2.0218006 28 O -2.2671941 0.8229633 -0.2939000 0.7713736 -3.1556610 0.4246577 -0.3759227 0.6037629 -2.0218006 29 O -2.9937105 -0.8217560 -0.7724105 -0.8987920 -2.2385696 -0.5352254 -0.9039477 -0.5919320 -2.1018657 30 O -2.9937105 0.8217560 -0.7724105 0.8987920 -2.2385696 0.5352254 -0.9039477 0.5919320 -2.1018657 31 O -2.9937105 -0.8217560 -0.7724105 -0.8987920 -2.2385696 -0.5352254 -0.9039477 -0.5919320 -2.1018657 32 O -2.9937105 0.8217560 -0.7724105 0.8987920 -2.2385696 0.5352254 -0.9039477 0.5919320 -2.1018657 33 O -1.7728572 0.3551357 -0.5982686 0.2475400 -2.4159620 1.0798446 -0.5071206 1.0502204 -3.4621603 34 O -1.7728572 -0.3551357 -0.5982686 -0.2475400 -2.4159620 -1.0798446 -0.5071206 -1.0502204 -3.4621603 35 O -1.7728572 0.3551357 -0.5982686 0.2475400 -2.4159620 1.0798446 -0.5071206 1.0502204 -3.4621603 36 O -1.8498278 -0.2764478 -0.2397016 -0.1549996 -3.3810856 -0.8430454 -0.2022934 -1.0125367 -2.2985611 37 Ca 2.7066855 0.4501169 -0.0433314 -0.4870092 2.8011421 -0.0086558 0.0223824 -0.0592677 3.4928922 38 Ca 2.4628421 0.0639783 0.2482707 -0.2503828 2.3258880 -0.0671869 0.0179422 -0.1829442 2.5536925 39 Ca 2.4628421 -0.0639783 0.2482707 0.2503828 2.3258880 0.0671869 0.0179422 0.1829442 2.5536925 40 Ca 2.4628421 0.0639783 0.2482707 -0.2503828 2.3258880 -0.0671869 0.0179422 -0.1829442 2.5536925 41 Ca 2.4628421 -0.0639783 0.2482707 0.2503828 2.3258880 0.0671869 0.0179422 0.1829442 2.5536925 42 Ca 2.5798606 0.1835251 -0.0750654 0.0836745 2.7806613 0.2779622 -0.0159991 0.0553504 1.7354428 43 Ca 2.5798606 -0.1835251 -0.0750654 -0.0836745 2.7806613 -0.2779622 -0.0159991 -0.0553504 1.7354428 44 Ca 2.5798606 0.1835251 -0.0750654 0.0836745 2.7806613 0.2779622 -0.0159991 0.0553504 1.7354428 45 Ca 3.0881423 -0.1951687 0.2694900 0.1563671 2.8030942 -0.5925844 0.0945758 0.4322259 3.1591776 46 Ca 2.5798606 -0.1835251 -0.0750654 -0.0836745 2.7806613 -0.2779622 -0.0159991 -0.0553504 1.7354428 47 Ca 3.0881423 0.1951687 0.2694900 -0.1563671 2.8030942 0.5925844 0.0945758 -0.4322259 3.1591776 48 Ca 2.7066855 -0.4501169 -0.0433314 0.4870092 2.8011421 0.0086558 0.0223824 0.0592677 3.4928922 49 Ca 2.1641196 -0.2584149 -0.0578859 0.0572556 2.5473072 -0.0822696 0.1006741 -0.1736019 2.7572106 50 Ca 2.1641196 0.2584149 -0.0578859 -0.0572556 2.5473072 0.0822696 0.1006741 0.1736019 2.7572106 51 Ca 2.1641196 -0.2584149 -0.0578859 0.0572556 2.5473072 -0.0822696 0.1006741 -0.1736019 2.7572106 52 Ca 2.1641196 0.2584149 -0.0578859 -0.0572556 2.5473072 0.0822696 0.1006741 0.1736019 2.7572106 53 Nb 6.8128158 0.1606178 0.1108254 -0.1822941 6.9096197 0.7106911 -0.0071785 -0.3037760 5.8796148 54 Nb 6.5985125 0.5024924 -0.1862709 -0.7714614 6.7799288 0.0718736 -0.0208546 0.0381942 5.9726118 55 Nb 6.5985125 -0.5024924 -0.1862709 0.7714614 6.7799288 -0.0718736 -0.0208546 -0.0381942 5.9726118 56 Nb 6.5985125 0.5024924 -0.1862709 -0.7714614 6.7799288 0.0718736 -0.0208546 0.0381942 5.9726118 57 Nb 6.5985125 -0.5024924 -0.1862709 0.7714614 6.7799288 -0.0718736 -0.0208546 -0.0381942 5.9726118 58 Nb 6.8128158 -0.1606178 0.1108254 0.1822941 6.9096197 -0.7106911 -0.0071785 0.3037760 5.8796148 59 Nb 6.8128158 0.1606178 0.1108254 -0.1822941 6.9096197 0.7106911 -0.0071785 -0.3037760 5.8796148 60 Nb 6.8128158 -0.1606178 0.1108254 0.1822941 6.9096197 -0.7106911 -0.0071785 0.3037760 5.8796148 ---------------------------------------------------------------------------- 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 9, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 31, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 73, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 75, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 83, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 89, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 107, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 08:53:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:54:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.813281710016600 0.000000000000000 0.000000000000000 b 0.000000000000000 5.508442579999999 0.000000000000000 c -9.519396341610735 0.000000000000000 14.129171359467637 Atomic positions (fractional): 1 O 0.55467377566614 0.37809608337174 0.89350495274382 15.999 2 O 0.44532622433386 0.62190391662826 0.10649504725618 15.999 3 O 0.55467377566614 0.12190391662826 0.39350495274382 15.999 4 O 0.44532622433386 0.87809608337174 0.60649504725618 15.999 5 O 0.87393584637579 0.12037515435130 0.07359689630517 15.999 6 O 0.12606415362421 0.62037515435130 0.42640310369483 15.999 7 O 0.12606415362421 0.87962484564870 0.92640310369483 15.999 8 O 0.87393584637579 0.37962484564870 0.57359689630517 15.999 9 O 0.77862254551082 0.90500514703588 0.26678066961059 15.999 10 O 0.22137745448918 0.40500514703588 0.23321933038941 15.999 11 O 0.22137745448918 0.09499485296412 0.73321933038941 15.999 12 O 0.77862254551082 0.59499485296412 0.76678066961059 15.999 13 O 0.73625594814381 0.79375746367202 0.59701006974494 15.999 14 O 0.26374405185619 0.29375746367202 0.90298993025506 15.999 15 O 0.26374405185619 0.20624253632798 0.40298993025506 15.999 16 O 0.17032344717011 0.32876236238431 0.04898865820028 15.999 17 O 0.47864830063366 0.28923134590129 0.71718530871480 15.999 18 O 0.52135169936634 0.78923134590129 0.78281469128520 15.999 19 O 0.52135169936634 0.71076865409871 0.28281469128520 15.999 20 O 0.47864830063366 0.21076865409871 0.21718530871480 15.999 21 O 0.95195360022676 0.19676285915408 0.75000861006098 15.999 22 O 0.04804639977324 0.69676285915408 0.74999138993902 15.999 23 O 0.04804639977324 0.80323714084592 0.24999138993902 15.999 24 O 0.95195360022676 0.30323714084592 0.25000861006098 15.999 25 O 0.19858663932704 0.69760732807600 0.62951632737947 15.999 26 O 0.80141336067296 0.19760732807600 0.87048367262053 15.999 27 O 0.80141336067296 0.30239267192400 0.37048367262053 15.999 28 O 0.19858663932704 0.80239267192400 0.12951632737947 15.999 29 O 0.61698793368156 0.32055012404048 0.60138373579834 15.999 30 O 0.38301206631844 0.82055012404048 0.89861626420166 15.999 31 O 0.38301206631844 0.67944987595952 0.39861626420166 15.999 32 O 0.61698793368156 0.17944987595952 0.10138373579834 15.999 33 O 0.17032344717011 0.17123763761569 0.54898865820028 15.999 34 O 0.82967655282988 0.67123763761569 0.95101134179972 15.999 35 O 0.82967655282988 0.82876236238431 0.45101134179972 15.999 36 O 0.73625594814381 0.70624253632798 0.09701006974494 15.999 37 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 38 Ca 0.95482847476004 0.52124234568990 0.10895116373236 40.078 39 Ca 0.04517152523995 0.02124234568990 0.39104883626764 40.078 40 Ca 0.04517152523995 0.47875765431010 0.89104883626764 40.078 41 Ca 0.95482847476004 0.97875765431010 0.60895116373236 40.078 42 Ca 0.28786148924183 0.99823886897117 0.27097516328045 40.078 43 Ca 0.71213851075817 0.49823886897117 0.22902483671955 40.078 44 Ca 0.71213851075817 0.00176113102883 0.72902483671955 40.078 45 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 46 Ca 0.28786148924183 0.50176113102883 0.77097516328045 40.078 47 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 48 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 49 Ca 0.37671739444704 0.48349916377553 0.57396662698424 40.078 50 Ca 0.62328260555296 0.98349916377553 0.92603337301576 40.078 51 Ca 0.62328260555296 0.51650083622447 0.42603337301576 40.078 52 Ca 0.37671739444704 0.01650083622447 0.07396662698424 40.078 53 Nb 0.32926884198412 0.50773711329305 0.16159895973103 92.906 54 Nb 0.17710969026907 0.98854139321467 0.83736422567018 92.906 55 Nb 0.82289030973093 0.48854139321467 0.66263577432982 92.906 56 Nb 0.82289030973093 0.01145860678533 0.16263577432982 92.906 57 Nb 0.17710969026907 0.51145860678533 0.33736422567018 92.906 58 Nb 0.32926884198412 0.99226288670695 0.66159895973103 92.906 59 Nb 0.67073115801588 0.49226288670695 0.83840104026897 92.906 60 Nb 0.67073115801588 0.00773711329305 0.33840104026897 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.813281710016600 0.000000000000000 0.000000000000000 b 0.000000000000000 11.016885159999998 0.000000000000000 c -9.519396341610735 0.000000000000000 14.129171359467637 Atomic positions (fractional): 1 O 0.55467377566614 0.18904804168587 0.89350495274382 15.999 > 1 2 O 0.55467377566614 0.68904804168587 0.89350495274382 15.999 > 1 3 O 0.44532622433386 0.31095195831413 0.10649504725618 15.999 > 3 4 O 0.44532622433386 0.81095195831413 0.10649504725618 15.999 > 3 5 O 0.55467377566614 0.06095195831413 0.39350495274382 15.999 > 5 6 O 0.55467377566614 0.56095195831413 0.39350495274382 15.999 > 5 7 O 0.44532622433386 0.43904804168587 0.60649504725618 15.999 > 7 8 O 0.44532622433386 0.93904804168587 0.60649504725618 15.999 > 7 9 O 0.87393584637579 0.06018757717565 0.07359689630517 15.999 > 9 10 O 0.87393584637579 0.56018757717565 0.07359689630517 15.999 > 9 11 O 0.12606415362421 0.31018757717565 0.42640310369483 15.999 > 11 12 O 0.12606415362421 0.81018757717565 0.42640310369483 15.999 > 11 13 O 0.12606415362421 0.43981242282435 0.92640310369483 15.999 > 13 14 O 0.12606415362421 0.93981242282435 0.92640310369483 15.999 > 13 15 O 0.87393584637579 0.18981242282435 0.57359689630517 15.999 > 15 16 O 0.87393584637579 0.68981242282435 0.57359689630517 15.999 > 15 17 O 0.77862254551082 0.45250257351794 0.26678066961059 15.999 > 17 18 O 0.77862254551082 0.95250257351794 0.26678066961059 15.999 > 17 19 O 0.22137745448918 0.20250257351794 0.23321933038941 15.999 > 19 20 O 0.22137745448918 0.70250257351794 0.23321933038941 15.999 > 19 21 O 0.22137745448918 0.04749742648206 0.73321933038941 15.999 > 21 22 O 0.22137745448918 0.54749742648206 0.73321933038941 15.999 > 21 23 O 0.77862254551082 0.29749742648206 0.76678066961059 15.999 > 23 24 O 0.77862254551082 0.79749742648206 0.76678066961059 15.999 > 23 25 O 0.73625594814381 0.39687873183601 0.59701006974494 15.999 > 25 26 O 0.73625594814381 0.89687873183601 0.59701006974494 15.999 > 25 27 O 0.26374405185619 0.14687873183601 0.90298993025506 15.999 > 27 28 O 0.26374405185619 0.64687873183601 0.90298993025506 15.999 > 27 29 O 0.26374405185619 0.10312126816399 0.40298993025506 15.999 > 29 30 O 0.26374405185619 0.60312126816399 0.40298993025506 15.999 > 29 31 O 0.17032344717011 0.16438118119216 0.04898865820028 15.999 > 31 32 O 0.17032344717011 0.66438118119216 0.04898865820028 15.999 > 31 33 O 0.47864830063366 0.14461567295065 0.71718530871480 15.999 > 33 34 O 0.47864830063366 0.64461567295065 0.71718530871480 15.999 > 33 35 O 0.52135169936634 0.39461567295065 0.78281469128520 15.999 > 35 36 O 0.52135169936634 0.89461567295065 0.78281469128520 15.999 > 35 37 O 0.52135169936634 0.35538432704935 0.28281469128520 15.999 > 37 38 O 0.52135169936634 0.85538432704935 0.28281469128520 15.999 > 37 39 O 0.47864830063366 0.10538432704935 0.21718530871480 15.999 > 39 40 O 0.47864830063366 0.60538432704935 0.21718530871480 15.999 > 39 41 O 0.95195360022676 0.09838142957704 0.75000861006098 15.999 > 41 42 O 0.95195360022676 0.59838142957704 0.75000861006098 15.999 > 41 43 O 0.04804639977324 0.34838142957704 0.74999138993902 15.999 > 43 44 O 0.04804639977324 0.84838142957704 0.74999138993902 15.999 > 43 45 O 0.04804639977324 0.40161857042296 0.24999138993902 15.999 > 45 46 O 0.04804639977324 0.90161857042296 0.24999138993902 15.999 > 45 47 O 0.95195360022676 0.15161857042296 0.25000861006098 15.999 > 47 48 O 0.95195360022676 0.65161857042296 0.25000861006098 15.999 > 47 49 O 0.19858663932704 0.34880366403800 0.62951632737947 15.999 > 49 50 O 0.19858663932704 0.84880366403800 0.62951632737947 15.999 > 49 51 O 0.80141336067296 0.09880366403800 0.87048367262053 15.999 > 51 52 O 0.80141336067296 0.59880366403800 0.87048367262053 15.999 > 51 53 O 0.80141336067296 0.15119633596200 0.37048367262053 15.999 > 53 54 O 0.80141336067296 0.65119633596200 0.37048367262053 15.999 > 53 55 O 0.19858663932704 0.40119633596200 0.12951632737947 15.999 > 55 56 O 0.19858663932704 0.90119633596200 0.12951632737947 15.999 > 55 57 O 0.61698793368156 0.16027506202024 0.60138373579834 15.999 > 57 58 O 0.61698793368156 0.66027506202024 0.60138373579834 15.999 > 57 59 O 0.38301206631844 0.41027506202024 0.89861626420166 15.999 > 59 60 O 0.38301206631844 0.91027506202024 0.89861626420166 15.999 > 59 61 O 0.38301206631844 0.33972493797976 0.39861626420166 15.999 > 61 62 O 0.38301206631844 0.83972493797976 0.39861626420166 15.999 > 61 63 O 0.61698793368156 0.08972493797976 0.10138373579834 15.999 > 63 64 O 0.61698793368156 0.58972493797976 0.10138373579834 15.999 > 63 65 O 0.17032344717011 0.08561881880784 0.54898865820028 15.999 > 65 66 O 0.17032344717011 0.58561881880784 0.54898865820028 15.999 > 65 67 O 0.82967655282988 0.33561881880784 0.95101134179972 15.999 > 67 68 O 0.82967655282988 0.83561881880784 0.95101134179972 15.999 > 67 69 O 0.82967655282988 0.41438118119216 0.45101134179972 15.999 > 69 70 O 0.82967655282988 0.91438118119216 0.45101134179972 15.999 > 69 71 O 0.73625594814381 0.35312126816399 0.09701006974494 15.999 > 71 72 O 0.73625594814381 0.85312126816399 0.09701006974494 15.999 > 71 73 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 73 74 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 73 75 Ca 0.95482847476004 0.26062117284495 0.10895116373236 40.078 > 75 76 Ca 0.95482847476004 0.76062117284495 0.10895116373236 40.078 > 75 77 Ca 0.04517152523995 0.01062117284495 0.39104883626764 40.078 > 77 78 Ca 0.04517152523995 0.51062117284495 0.39104883626764 40.078 > 77 79 Ca 0.04517152523995 0.23937882715505 0.89104883626764 40.078 > 79 80 Ca 0.04517152523995 0.73937882715505 0.89104883626764 40.078 > 79 81 Ca 0.95482847476004 0.48937882715505 0.60895116373236 40.078 > 81 82 Ca 0.95482847476004 0.98937882715505 0.60895116373236 40.078 > 81 83 Ca 0.28786148924183 0.49911943448559 0.27097516328045 40.078 > 83 84 Ca 0.28786148924183 0.99911943448559 0.27097516328045 40.078 > 83 85 Ca 0.71213851075817 0.24911943448559 0.22902483671955 40.078 > 85 86 Ca 0.71213851075817 0.74911943448559 0.22902483671955 40.078 > 85 87 Ca 0.71213851075817 0.00088056551441 0.72902483671955 40.078 > 87 88 Ca 0.71213851075817 0.50088056551441 0.72902483671955 40.078 > 87 89 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 89 90 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 89 91 Ca 0.28786148924183 0.25088056551441 0.77097516328045 40.078 > 91 92 Ca 0.28786148924183 0.75088056551441 0.77097516328045 40.078 > 91 93 Ca 0.00000000000000 0.25000000000000 0.50000000000000 40.078 > 93 94 Ca 0.00000000000000 0.75000000000000 0.50000000000000 40.078 > 93 95 Ca 0.50000000000000 0.25000000000000 0.00000000000000 40.078 > 95 96 Ca 0.50000000000000 0.75000000000000 0.00000000000000 40.078 > 95 97 Ca 0.37671739444704 0.24174958188777 0.57396662698424 40.078 > 97 98 Ca 0.37671739444704 0.74174958188777 0.57396662698424 40.078 > 97 99 Ca 0.62328260555296 0.49174958188777 0.92603337301576 40.078 > 99 100 Ca 0.62328260555296 0.99174958188777 0.92603337301576 40.078 > 99 101 Ca 0.62328260555296 0.25825041811223 0.42603337301576 40.078 > 101 102 Ca 0.62328260555296 0.75825041811223 0.42603337301576 40.078 > 101 103 Ca 0.37671739444704 0.00825041811223 0.07396662698424 40.078 > 103 104 Ca 0.37671739444704 0.50825041811223 0.07396662698424 40.078 > 103 105 Nb 0.32926884198412 0.25386855664652 0.16159895973103 92.906 > 105 106 Nb 0.32926884198412 0.75386855664652 0.16159895973103 92.906 > 105 107 Nb 0.17710969026907 0.49427069660734 0.83736422567018 92.906 > 107 108 Nb 0.17710969026907 0.99427069660734 0.83736422567018 92.906 > 107 109 Nb 0.82289030973093 0.24427069660734 0.66263577432982 92.906 > 109 110 Nb 0.82289030973093 0.74427069660734 0.66263577432982 92.906 > 109 111 Nb 0.82289030973093 0.00572930339266 0.16263577432982 92.906 > 111 112 Nb 0.82289030973093 0.50572930339266 0.16263577432982 92.906 > 111 113 Nb 0.17710969026907 0.25572930339266 0.33736422567018 92.906 > 113 114 Nb 0.17710969026907 0.75572930339266 0.33736422567018 92.906 > 113 115 Nb 0.32926884198412 0.49613144335348 0.66159895973103 92.906 > 115 116 Nb 0.32926884198412 0.99613144335348 0.66159895973103 92.906 > 115 117 Nb 0.67073115801588 0.24613144335348 0.83840104026897 92.906 > 117 118 Nb 0.67073115801588 0.74613144335348 0.83840104026897 92.906 > 117 119 Nb 0.67073115801588 0.00386855664652 0.33840104026897 92.906 > 119 120 Nb 0.67073115801588 0.50386855664652 0.33840104026897 92.906 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7938640 0.0000000 0.0313716 0.0000000 4.8608784 0.0000000 0.0313609 0.0000000 4.5935826 -------------------------- Born effective charges -------------------------- 1 O -3.2600816 -0.4502101 0.7504322 -0.3944225 -2.1027226 0.2787295 0.8672643 0.4242437 -2.1119328 2 O -3.2600816 -0.4502101 0.7504322 -0.3944225 -2.1027226 0.2787295 0.8672643 0.4242437 -2.1119328 3 O -3.2600816 0.4502101 0.7504322 0.3944225 -2.1027226 -0.2787295 0.8672643 -0.4242437 -2.1119328 4 O -3.2600816 0.4502101 0.7504322 0.3944225 -2.1027226 -0.2787295 0.8672643 -0.4242437 -2.1119328 5 O -2.7557759 -0.6128577 1.0900135 -0.4388351 -1.9743323 0.2769111 1.0816052 0.2029977 -2.7571401 6 O -2.7557759 0.6128577 1.0900135 0.4388351 -1.9743323 -0.2769111 1.0816052 -0.2029977 -2.7571401 7 O -2.7557759 -0.6128577 1.0900135 -0.4388351 -1.9743323 0.2769111 1.0816052 0.2029977 -2.7571401 8 O -2.7557759 0.6128577 1.0900135 0.4388351 -1.9743323 -0.2769111 1.0816052 -0.2029977 -2.7571401 9 O -3.9822176 -0.0653838 1.4918996 0.0686783 -1.9673736 -0.0802751 1.3216113 -0.1181969 -2.4601496 10 O -3.9822176 0.0653838 1.4918996 -0.0686783 -1.9673736 0.0802751 1.3216113 0.1181969 -2.4601496 11 O -3.9822176 -0.0653838 1.4918996 0.0686783 -1.9673736 -0.0802751 1.3216113 -0.1181969 -2.4601496 12 O -3.9822176 0.0653838 1.4918996 -0.0686783 -1.9673736 0.0802751 1.3216113 0.1181969 -2.4601496 13 O -1.8498278 0.2764478 -0.2397016 0.1549996 -3.3810856 0.8430454 -0.2022934 1.0125367 -2.2985611 14 O -1.8498278 -0.2764478 -0.2397016 -0.1549996 -3.3810856 -0.8430454 -0.2022934 -1.0125367 -2.2985611 15 O -1.8498278 0.2764478 -0.2397016 0.1549996 -3.3810856 0.8430454 -0.2022934 1.0125367 -2.2985611 16 O -1.7728572 -0.3551357 -0.5982686 -0.2475400 -2.4159620 -1.0798446 -0.5071206 -1.0502204 -3.4621603 17 O -2.1603250 -1.0286410 -0.6767900 -1.0847685 -3.5401560 -1.1697665 -0.7397755 -1.1324656 -2.5735732 18 O -2.1603250 1.0286410 -0.6767900 1.0847685 -3.5401560 1.1697665 -0.7397755 1.1324656 -2.5735732 19 O -2.1603250 -1.0286410 -0.6767900 -1.0847685 -3.5401560 -1.1697665 -0.7397755 -1.1324656 -2.5735732 20 O -2.1603250 1.0286410 -0.6767900 1.0847685 -3.5401560 1.1697665 -0.7397755 1.1324656 -2.5735732 21 O -2.4735748 1.0578331 -0.9042277 0.9880909 -3.3696604 1.2499820 -0.6744840 1.1019044 -2.4374240 22 O -2.4735748 -1.0578331 -0.9042277 -0.9880909 -3.3696604 -1.2499820 -0.6744840 -1.1019044 -2.4374240 23 O -2.4735748 1.0578331 -0.9042277 0.9880909 -3.3696604 1.2499820 -0.6744840 1.1019044 -2.4374240 24 O -2.4735748 -1.0578331 -0.9042277 -0.9880909 -3.3696604 -1.2499820 -0.6744840 -1.1019044 -2.4374240 25 O -2.2671941 -0.8229633 -0.2939000 -0.7713736 -3.1556610 -0.4246577 -0.3759227 -0.6037629 -2.0218006 26 O -2.2671941 0.8229633 -0.2939000 0.7713736 -3.1556610 0.4246577 -0.3759227 0.6037629 -2.0218006 27 O -2.2671941 -0.8229633 -0.2939000 -0.7713736 -3.1556610 -0.4246577 -0.3759227 -0.6037629 -2.0218006 28 O -2.2671941 0.8229633 -0.2939000 0.7713736 -3.1556610 0.4246577 -0.3759227 0.6037629 -2.0218006 29 O -2.9937105 -0.8217560 -0.7724105 -0.8987920 -2.2385696 -0.5352254 -0.9039477 -0.5919320 -2.1018657 30 O -2.9937105 0.8217560 -0.7724105 0.8987920 -2.2385696 0.5352254 -0.9039477 0.5919320 -2.1018657 31 O -2.9937105 -0.8217560 -0.7724105 -0.8987920 -2.2385696 -0.5352254 -0.9039477 -0.5919320 -2.1018657 32 O -2.9937105 0.8217560 -0.7724105 0.8987920 -2.2385696 0.5352254 -0.9039477 0.5919320 -2.1018657 33 O -1.7728572 0.3551357 -0.5982686 0.2475400 -2.4159620 1.0798446 -0.5071206 1.0502204 -3.4621603 34 O -1.7728572 -0.3551357 -0.5982686 -0.2475400 -2.4159620 -1.0798446 -0.5071206 -1.0502204 -3.4621603 35 O -1.7728572 0.3551357 -0.5982686 0.2475400 -2.4159620 1.0798446 -0.5071206 1.0502204 -3.4621603 36 O -1.8498278 -0.2764478 -0.2397016 -0.1549996 -3.3810856 -0.8430454 -0.2022934 -1.0125367 -2.2985611 37 Ca 2.7066855 0.4501169 -0.0433314 -0.4870092 2.8011421 -0.0086558 0.0223824 -0.0592677 3.4928922 38 Ca 2.4628421 0.0639783 0.2482707 -0.2503828 2.3258880 -0.0671869 0.0179422 -0.1829442 2.5536925 39 Ca 2.4628421 -0.0639783 0.2482707 0.2503828 2.3258880 0.0671869 0.0179422 0.1829442 2.5536925 40 Ca 2.4628421 0.0639783 0.2482707 -0.2503828 2.3258880 -0.0671869 0.0179422 -0.1829442 2.5536925 41 Ca 2.4628421 -0.0639783 0.2482707 0.2503828 2.3258880 0.0671869 0.0179422 0.1829442 2.5536925 42 Ca 2.5798606 0.1835251 -0.0750654 0.0836745 2.7806613 0.2779622 -0.0159991 0.0553504 1.7354428 43 Ca 2.5798606 -0.1835251 -0.0750654 -0.0836745 2.7806613 -0.2779622 -0.0159991 -0.0553504 1.7354428 44 Ca 2.5798606 0.1835251 -0.0750654 0.0836745 2.7806613 0.2779622 -0.0159991 0.0553504 1.7354428 45 Ca 3.0881423 -0.1951687 0.2694900 0.1563671 2.8030942 -0.5925844 0.0945758 0.4322259 3.1591776 46 Ca 2.5798606 -0.1835251 -0.0750654 -0.0836745 2.7806613 -0.2779622 -0.0159991 -0.0553504 1.7354428 47 Ca 3.0881423 0.1951687 0.2694900 -0.1563671 2.8030942 0.5925844 0.0945758 -0.4322259 3.1591776 48 Ca 2.7066855 -0.4501169 -0.0433314 0.4870092 2.8011421 0.0086558 0.0223824 0.0592677 3.4928922 49 Ca 2.1641196 -0.2584149 -0.0578859 0.0572556 2.5473072 -0.0822696 0.1006741 -0.1736019 2.7572106 50 Ca 2.1641196 0.2584149 -0.0578859 -0.0572556 2.5473072 0.0822696 0.1006741 0.1736019 2.7572106 51 Ca 2.1641196 -0.2584149 -0.0578859 0.0572556 2.5473072 -0.0822696 0.1006741 -0.1736019 2.7572106 52 Ca 2.1641196 0.2584149 -0.0578859 -0.0572556 2.5473072 0.0822696 0.1006741 0.1736019 2.7572106 53 Nb 6.8128158 0.1606178 0.1108254 -0.1822941 6.9096197 0.7106911 -0.0071785 -0.3037760 5.8796148 54 Nb 6.5985125 0.5024924 -0.1862709 -0.7714614 6.7799288 0.0718736 -0.0208546 0.0381942 5.9726118 55 Nb 6.5985125 -0.5024924 -0.1862709 0.7714614 6.7799288 -0.0718736 -0.0208546 -0.0381942 5.9726118 56 Nb 6.5985125 0.5024924 -0.1862709 -0.7714614 6.7799288 0.0718736 -0.0208546 0.0381942 5.9726118 57 Nb 6.5985125 -0.5024924 -0.1862709 0.7714614 6.7799288 -0.0718736 -0.0208546 -0.0381942 5.9726118 58 Nb 6.8128158 -0.1606178 0.1108254 0.1822941 6.9096197 -0.7106911 -0.0071785 0.3037760 5.8796148 59 Nb 6.8128158 0.1606178 0.1108254 -0.1822941 6.9096197 0.7106911 -0.0071785 -0.3037760 5.8796148 60 Nb 6.8128158 -0.1606178 0.1108254 0.1822941 6.9096197 -0.7106911 -0.0071785 0.3037760 5.8796148 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx) 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 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.45, Number of G-points: 305, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.351 ( 0.000 0.000 0.000) 0.000 2.403 ( 0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 2.960 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.867 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.034 ( 0.000 0.000 0.000) 0.000 4.040 ( 0.000 0.000 0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 4.307 ( 0.000 0.000 0.000) 0.000 4.314 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 4.894 ( 0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 4.977 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 5.222 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.717 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 0.000) 0.000 5.817 ( 0.000 0.000 0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000 5.902 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.050 ( 0.000 0.000 0.000) 0.000 6.159 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.208 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.399 ( 0.000 0.000 0.000) 0.000 6.481 ( 0.000 0.000 0.000) 0.000 6.616 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 6.846 ( 0.000 0.000 0.000) 0.000 6.892 ( 0.000 0.000 0.000) 0.000 6.965 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 7.090 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 0.000) 0.000 7.624 ( 0.000 0.000 0.000) 0.000 7.653 ( 0.000 0.000 0.000) 0.000 7.699 ( 0.000 0.000 0.000) 0.000 7.707 ( 0.000 0.000 0.000) 0.000 7.829 ( 0.000 0.000 0.000) 0.000 7.865 ( 0.000 0.000 0.000) 0.000 7.878 ( 0.000 0.000 0.000) 0.000 7.910 ( 0.000 0.000 0.000) 0.000 8.002 ( 0.000 0.000 0.000) 0.000 8.226 ( 0.000 0.000 0.000) 0.000 8.354 ( 0.000 0.000 0.000) 0.000 8.382 ( 0.000 0.000 0.000) 0.000 8.386 ( 0.000 0.000 0.000) 0.000 8.473 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.561 ( 0.000 0.000 0.000) 0.000 8.571 ( 0.000 0.000 0.000) 0.000 8.598 ( 0.000 0.000 0.000) 0.000 8.732 ( 0.000 0.000 0.000) 0.000 8.773 ( 0.000 0.000 0.000) 0.000 8.866 ( 0.000 0.000 0.000) 0.000 8.954 ( 0.000 0.000 0.000) 0.000 8.970 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.182 ( 0.000 0.000 0.000) 0.000 9.419 ( 0.000 0.000 0.000) 0.000 9.481 ( 0.000 0.000 0.000) 0.000 9.585 ( 0.000 0.000 0.000) 0.000 9.631 ( 0.000 0.000 0.000) 0.000 9.634 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.727 ( 0.000 0.000 0.000) 0.000 9.775 ( 0.000 0.000 0.000) 0.000 9.816 ( 0.000 0.000 0.000) 0.000 10.081 ( 0.000 0.000 0.000) 0.000 10.153 ( 0.000 0.000 0.000) 0.000 10.248 ( 0.000 0.000 0.000) 0.000 10.454 ( 0.000 0.000 0.000) 0.000 10.466 ( 0.000 0.000 0.000) 0.000 10.552 ( 0.000 0.000 0.000) 0.000 10.631 ( 0.000 0.000 0.000) 0.000 10.908 ( 0.000 0.000 0.000) 0.000 10.952 ( 0.000 0.000 0.000) 0.000 11.041 ( 0.000 0.000 0.000) 0.000 11.215 ( 0.000 0.000 0.000) 0.000 11.323 ( 0.000 0.000 0.000) 0.000 11.335 ( 0.000 0.000 0.000) 0.000 11.527 ( 0.000 0.000 0.000) 0.000 11.541 ( 0.000 0.000 0.000) 0.000 11.720 ( 0.000 0.000 0.000) 0.000 11.792 ( 0.000 0.000 0.000) 0.000 11.846 ( 0.000 0.000 0.000) 0.000 11.863 ( 0.000 0.000 0.000) 0.000 11.962 ( 0.000 0.000 0.000) 0.000 12.052 ( 0.000 0.000 0.000) 0.000 12.328 ( 0.000 0.000 0.000) 0.000 12.338 ( 0.000 0.000 0.000) 0.000 12.534 ( 0.000 0.000 0.000) 0.000 12.754 ( 0.000 0.000 0.000) 0.000 12.812 ( 0.000 0.000 0.000) 0.000 12.855 ( 0.000 0.000 0.000) 0.000 12.870 ( 0.000 0.000 0.000) 0.000 12.976 ( 0.000 0.000 0.000) 0.000 13.109 ( 0.000 0.000 0.000) 0.000 13.327 ( 0.000 0.000 0.000) 0.000 13.375 ( 0.000 0.000 0.000) 0.000 13.385 ( 0.000 0.000 0.000) 0.000 13.401 ( 0.000 0.000 0.000) 0.000 13.536 ( 0.000 0.000 0.000) 0.000 13.658 ( 0.000 0.000 0.000) 0.000 13.784 ( 0.000 0.000 0.000) 0.000 13.813 ( 0.000 0.000 0.000) 0.000 14.391 ( 0.000 0.000 0.000) 0.000 14.400 ( 0.000 0.000 0.000) 0.000 14.465 ( 0.000 0.000 0.000) 0.000 14.616 ( 0.000 0.000 0.000) 0.000 14.831 ( 0.000 0.000 0.000) 0.000 14.885 ( 0.000 0.000 0.000) 0.000 15.331 ( 0.000 0.000 0.000) 0.000 15.380 ( 0.000 0.000 0.000) 0.000 15.473 ( 0.000 0.000 0.000) 0.000 15.485 ( 0.000 0.000 0.000) 0.000 15.987 ( 0.000 0.000 0.000) 0.000 17.559 ( 0.000 0.000 0.000) 0.000 17.673 ( 0.000 0.000 0.000) 0.000 17.775 ( 0.000 0.000 0.000) 0.000 17.782 ( 0.000 0.000 0.000) 0.000 17.923 ( 0.000 0.000 0.000) 0.000 17.983 ( 0.000 0.000 0.000) 0.000 18.071 ( 0.000 0.000 0.000) 0.000 18.138 ( 0.000 0.000 0.000) 0.000 18.378 ( 0.000 0.000 0.000) 0.000 18.378 ( 0.000 0.000 0.000) 0.000 18.591 ( 0.000 0.000 0.000) 0.000 18.610 ( 0.000 0.000 0.000) 0.000 19.085 ( 0.000 0.000 0.000) 0.000 19.301 ( 0.000 0.000 0.000) 0.000 20.872 ( 0.000 0.000 0.000) 0.000 20.949 ( 0.000 0.000 0.000) 0.000 21.559 ( 0.000 0.000 0.000) 0.000 22.716 ( 0.000 0.000 0.000) 0.000 22.762 ( 0.000 0.000 0.000) 0.000 22.856 ( 0.000 0.000 0.000) 0.000 22.869 ( 0.000 0.000 0.000) 0.000 22.970 ( 0.000 0.000 0.000) 0.000 23.133 ( 0.000 0.000 0.000) 0.000 23.226 ( 0.000 0.000 0.000) 0.000 23.309 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 26.424 0.000 20.269) 33.302 0.729 ( 28.088 0.000 22.092) 35.735 1.399 ( 51.389 0.000 39.359) 64.730 2.080 ( -3.455 0.000 -25.381) 25.615 2.124 ( 11.170 0.000 -22.521) 25.139 2.389 ( 8.669 0.000 -4.170) 9.620 2.419 ( -0.573 0.000 3.143) 3.195 2.602 ( -6.595 0.000 0.535) 6.617 2.610 ( -1.388 0.000 9.326) 9.429 2.682 ( -5.565 0.000 3.559) 6.605 2.849 ( -2.539 0.000 -3.327) 4.186 2.891 ( 8.603 0.000 9.562) 12.863 3.006 ( -4.620 0.000 6.019) 7.588 3.181 ( -5.523 0.000 1.944) 5.855 3.257 ( 0.102 0.000 2.819) 2.821 3.476 ( 2.077 0.000 -0.171) 2.084 3.561 ( -2.807 0.000 -18.887) 19.094 3.725 ( -3.467 0.000 -1.359) 3.724 3.764 ( 0.873 0.000 -8.668) 8.712 3.785 ( -2.440 0.000 0.643) 2.523 3.877 ( 3.729 0.000 -1.125) 3.896 3.906 ( -2.975 0.000 -2.846) 4.117 3.908 ( -0.996 0.000 -5.753) 5.839 4.051 ( 4.786 0.000 -7.154) 8.607 4.086 ( -4.061 0.000 -4.234) 5.866 4.215 ( 5.804 0.000 0.902) 5.874 4.279 ( 0.738 0.000 1.419) 1.599 4.320 ( -5.369 0.000 -0.638) 5.407 4.379 ( 3.254 0.000 -7.086) 7.797 4.404 ( 5.888 0.000 -8.085) 10.002 4.590 ( 8.429 0.000 0.516) 8.444 4.600 ( -5.117 0.000 2.556) 5.719 4.725 ( 0.010 0.000 -3.729) 3.729 4.744 ( 0.665 0.000 -2.147) 2.248 4.826 ( -8.985 0.000 0.807) 9.021 4.853 ( 0.945 0.000 6.951) 7.015 5.079 ( 2.012 0.000 -1.802) 2.701 5.122 ( 4.370 0.000 -3.049) 5.329 5.170 ( 1.060 0.000 -1.720) 2.020 5.175 ( 2.514 0.000 1.209) 2.790 5.305 ( 8.466 0.000 7.888) 11.571 5.382 ( 3.266 0.000 -2.376) 4.039 5.486 ( 3.634 0.000 4.178) 5.537 5.546 ( -0.171 0.000 7.337) 7.339 5.550 ( -1.609 0.000 -2.523) 2.992 5.688 ( -1.723 0.000 1.951) 2.603 5.726 ( -2.500 0.000 -6.398) 6.869 5.777 ( 0.424 0.000 -0.802) 0.907 5.783 ( -2.858 0.000 -8.942) 9.388 5.885 ( -4.176 0.000 -14.590) 15.176 5.959 ( 0.451 0.000 4.686) 4.707 6.007 ( -1.796 0.000 -3.757) 4.164 6.076 ( -2.807 0.000 3.349) 4.370 6.140 ( -6.128 0.000 4.777) 7.770 6.157 ( -7.639 0.000 4.641) 8.939 6.296 ( -7.154 0.000 1.983) 7.424 6.316 ( 8.334 0.000 2.782) 8.786 6.354 ( 12.502 0.000 -1.638) 12.609 6.423 ( -3.651 0.000 5.865) 6.909 6.594 ( 3.350 0.000 2.281) 4.053 6.608 ( -1.588 0.000 -0.189) 1.599 6.629 ( -1.452 0.000 3.843) 4.108 6.740 ( -5.201 0.000 0.821) 5.265 6.752 ( 4.976 0.000 -5.157) 7.166 6.832 ( -0.741 0.000 -5.742) 5.789 6.926 ( 3.413 0.000 4.764) 5.860 6.950 ( -3.869 0.000 -0.024) 3.869 7.086 ( -1.468 0.000 7.107) 7.257 7.124 ( -2.311 0.000 4.639) 5.183 7.285 ( 2.630 0.000 -3.682) 4.525 7.388 ( -9.094 0.000 0.763) 9.126 7.486 ( -7.042 0.000 1.556) 7.212 7.488 ( 20.117 0.000 -24.338) 31.576 7.692 ( -6.352 0.000 2.922) 6.992 7.725 ( 14.414 0.000 -4.085) 14.981 7.749 ( -6.030 0.000 3.004) 6.737 7.785 ( -0.533 0.000 -1.980) 2.050 7.876 ( -4.151 0.000 2.148) 4.674 7.946 ( 0.730 0.000 3.930) 3.998 7.964 ( 8.306 0.000 -2.708) 8.736 7.969 ( 8.600 0.000 5.416) 10.163 8.176 ( -3.940 0.000 -8.144) 9.047 8.277 ( -1.918 0.000 -0.375) 1.955 8.323 ( -0.574 0.000 -3.658) 3.703 8.342 ( -7.508 0.000 -3.894) 8.458 8.422 ( -5.256 0.000 -0.040) 5.256 8.515 ( 7.865 0.000 -5.902) 9.833 8.602 ( -5.745 0.000 -0.572) 5.773 8.696 ( 4.096 0.000 -1.606) 4.399 8.708 ( 8.972 0.000 2.159) 9.228 8.809 ( 6.148 0.000 -1.335) 6.292 8.823 ( -1.327 0.000 0.050) 1.328 8.934 ( 2.253 0.000 5.862) 6.280 9.029 ( 7.695 0.000 3.304) 8.374 9.174 ( 3.890 0.000 -4.512) 5.957 9.179 ( 1.801 0.000 0.804) 1.973 9.324 ( -3.132 0.000 7.022) 7.689 9.368 ( -1.634 0.000 -3.132) 3.533 9.515 ( 7.678 0.000 -6.097) 9.804 9.557 ( -1.860 0.000 -4.024) 4.432 9.636 ( -0.900 0.000 -2.034) 2.224 9.679 ( 2.371 0.000 -1.496) 2.803 9.735 ( -0.986 0.000 4.141) 4.257 9.800 ( 2.866 0.000 -0.549) 2.918 9.852 ( 4.952 0.000 3.024) 5.802 10.044 ( 10.314 0.000 2.513) 10.616 10.062 ( -1.333 0.000 -4.311) 4.513 10.329 ( 3.336 0.000 6.677) 7.464 10.349 ( -4.146 0.000 -2.816) 5.012 10.486 ( -0.241 0.000 -1.713) 1.729 10.593 ( 2.509 0.000 3.496) 4.304 10.619 ( -4.856 0.000 -4.254) 6.455 10.819 ( -5.620 0.000 -0.437) 5.637 10.821 ( -11.764 0.000 -2.608) 12.050 11.030 ( -5.239 0.000 5.178) 7.366 11.165 ( -1.021 0.000 3.488) 3.635 11.186 ( -7.711 0.000 -4.598) 8.977 11.286 ( -3.738 0.000 -3.813) 5.340 11.396 ( 3.524 0.000 1.451) 3.811 11.576 ( -11.352 0.000 -1.696) 11.478 11.618 ( 0.624 0.000 5.242) 5.279 11.740 ( -5.538 0.000 6.026) 8.184 11.870 ( -0.279 0.000 -1.769) 1.791 11.888 ( 2.386 0.000 -3.219) 4.007 11.956 ( 8.971 0.000 3.514) 9.635 12.064 ( 9.883 0.000 -0.705) 9.908 12.291 ( -2.901 0.000 -3.144) 4.278 12.295 ( 2.494 0.000 0.876) 2.643 12.505 ( -1.145 0.000 -2.968) 3.181 12.575 ( -7.315 0.000 6.129) 9.543 12.765 ( -3.336 0.000 -1.021) 3.489 12.850 ( 4.100 0.000 -5.635) 6.968 12.923 ( 4.920 0.000 2.718) 5.620 12.953 ( 6.925 0.000 2.354) 7.314 13.039 ( 8.185 0.000 -2.995) 8.716 13.120 ( 0.830 0.000 0.846) 1.185 13.342 ( 1.211 0.000 -5.605) 5.734 13.346 ( -4.633 0.000 2.194) 5.126 13.436 ( 3.106 0.000 -4.666) 5.605 13.456 ( 1.628 0.000 4.416) 4.706 13.568 ( -3.203 0.000 2.506) 4.067 13.650 ( -1.381 0.000 0.143) 1.388 13.793 ( 1.090 0.000 -0.085) 1.093 13.811 ( 0.040 0.000 -0.635) 0.636 14.454 ( 4.498 0.000 1.715) 4.814 14.489 ( 3.907 0.000 -0.834) 3.995 14.656 ( 4.001 0.000 -0.576) 4.042 14.811 ( 4.613 0.000 -9.776) 10.810 14.905 ( 21.163 0.000 -28.796) 35.736 14.914 ( 4.628 0.000 -1.900) 5.003 15.302 ( -1.735 0.000 -1.507) 2.298 15.385 ( -0.822 0.000 1.845) 2.020 15.484 ( 1.161 0.000 1.225) 1.688 15.647 ( 4.419 0.000 -1.252) 4.593 16.812 ( -47.482 0.000 53.858) 71.800 17.258 ( -28.602 0.000 -1.437) 28.638 17.722 ( -3.024 0.000 -1.677) 3.458 17.839 ( 1.549 0.000 1.061) 1.877 17.990 ( 4.530 0.000 1.077) 4.656 18.023 ( 5.469 0.000 -1.623) 5.704 18.069 ( -0.847 0.000 1.232) 1.495 18.135 ( -2.493 0.000 4.122) 4.817 18.271 ( 0.370 0.000 -0.845) 0.923 18.397 ( 0.936 0.000 0.911) 1.306 18.598 ( 0.818 0.000 -0.059) 0.820 18.621 ( 1.735 0.000 -0.413) 1.784 19.019 ( -7.739 0.000 1.716) 7.927 19.046 ( -1.917 0.000 -3.505) 3.995 21.003 ( 10.914 0.000 3.797) 11.556 21.026 ( 4.590 0.000 5.440) 7.118 21.528 ( 2.869 0.000 -8.365) 8.843 21.733 ( 20.611 0.000 -32.360) 38.366 22.751 ( 0.043 0.000 1.209) 1.210 22.754 ( -0.888 0.000 0.005) 0.888 22.885 ( 2.644 0.000 1.657) 3.121 22.918 ( 0.331 0.000 -1.951) 1.979 23.112 ( -1.090 0.000 -0.510) 1.203 23.155 ( -7.230 0.000 1.158) 7.322 23.321 ( 1.593 0.000 -1.703) 2.332 23.326 ( -10.257 0.000 15.138) 18.285 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 21.063 0.000 17.297) 27.255 1.449 ( 26.776 0.000 21.159) 34.127 1.895 ( 14.900 0.000 -18.098) 23.443 2.114 ( 17.881 0.000 -22.192) 28.499 2.344 ( -7.039 0.000 -7.210) 10.076 2.360 ( 0.419 0.000 19.124) 19.129 2.469 ( -16.714 0.000 10.599) 19.791 2.491 ( -12.725 0.000 6.318) 14.207 2.520 ( 7.386 0.000 -1.524) 7.541 2.711 ( 8.122 0.000 2.358) 8.458 2.885 ( -13.776 0.000 1.441) 13.852 2.953 ( -0.949 0.000 1.584) 1.847 2.972 ( 11.635 0.000 4.244) 12.385 3.257 ( 6.601 0.000 -2.229) 6.967 3.274 ( 5.658 0.000 -15.059) 16.087 3.364 ( 8.590 0.000 6.191) 10.589 3.491 ( -15.657 0.000 5.794) 16.694 3.560 ( 1.895 0.000 2.991) 3.541 3.681 ( 6.775 0.000 -11.344) 13.213 3.774 ( -2.517 0.000 -4.123) 4.830 3.831 ( -8.024 0.000 5.296) 9.614 3.958 ( 0.548 0.000 -3.673) 3.713 3.977 ( 6.639 0.000 0.622) 6.668 3.979 ( 0.066 0.000 -6.428) 6.428 4.004 ( 1.394 0.000 -5.279) 5.460 4.190 ( 2.373 0.000 -4.645) 5.216 4.245 ( 2.381 0.000 -4.676) 5.247 4.248 ( -5.279 0.000 -7.771) 9.395 4.360 ( 0.342 0.000 5.480) 5.491 4.398 ( -5.799 0.000 -1.881) 6.097 4.603 ( -3.484 0.000 4.549) 5.730 4.605 ( -11.923 0.000 1.726) 12.048 4.692 ( 7.218 0.000 8.067) 10.825 4.784 ( 5.283 0.000 -0.391) 5.298 4.813 ( 5.263 0.000 -2.776) 5.951 4.880 ( -4.508 0.000 3.103) 5.473 5.150 ( 2.214 0.000 -0.468) 2.263 5.179 ( 4.602 0.000 -0.844) 4.679 5.205 ( 3.661 0.000 8.013) 8.810 5.237 ( -1.404 0.000 5.031) 5.223 5.319 ( -5.164 0.000 1.133) 5.287 5.377 ( -5.328 0.000 -15.474) 16.366 5.530 ( 7.867 0.000 6.519) 10.217 5.585 ( -1.396 0.000 7.866) 7.989 5.597 ( -6.019 0.000 -12.770) 14.117 5.658 ( 3.605 0.000 -0.786) 3.690 5.673 ( -3.241 0.000 -4.137) 5.256 5.696 ( 3.689 0.000 -6.250) 7.258 5.720 ( 2.289 0.000 -9.777) 10.042 5.793 ( 5.535 0.000 6.779) 8.752 5.891 ( -10.216 0.000 1.799) 10.373 5.938 ( -0.442 0.000 6.209) 6.225 5.987 ( -11.770 0.000 -2.089) 11.954 6.055 ( -1.126 0.000 8.863) 8.934 6.147 ( 0.001 0.000 -6.404) 6.404 6.251 ( 3.268 0.000 10.398) 10.900 6.306 ( -13.657 0.000 -15.005) 20.290 6.448 ( -3.666 0.000 -3.799) 5.279 6.542 ( -0.017 0.000 8.237) 8.237 6.578 ( 7.408 0.000 0.126) 7.409 6.630 ( 11.215 0.000 -12.074) 16.479 6.714 ( 1.768 0.000 -1.056) 2.060 6.812 ( 2.742 0.000 2.518) 3.723 6.820 ( 9.134 0.000 5.780) 10.809 6.904 ( 11.068 0.000 3.968) 11.758 6.913 ( -5.366 0.000 7.149) 8.939 6.973 ( -15.737 0.000 2.141) 15.882 7.024 ( 1.141 0.000 5.975) 6.083 7.122 ( 2.590 0.000 -0.237) 2.601 7.202 ( -3.328 0.000 -5.902) 6.776 7.304 ( -1.070 0.000 2.043) 2.307 7.366 ( -7.638 0.000 2.560) 8.056 7.451 ( -14.099 0.000 4.837) 14.906 7.557 ( 6.483 0.000 -17.973) 19.106 7.707 ( -10.322 0.000 1.915) 10.498 7.708 ( -1.420 0.000 -3.141) 3.447 7.800 ( -6.362 0.000 8.476) 10.598 7.934 ( 5.093 0.000 3.812) 6.361 7.968 ( -3.395 0.000 -7.660) 8.379 8.084 ( 4.395 0.000 5.097) 6.730 8.116 ( -3.245 0.000 1.261) 3.481 8.132 ( 10.188 0.000 -2.053) 10.393 8.223 ( -0.764 0.000 -4.168) 4.238 8.245 ( 3.028 0.000 1.431) 3.349 8.352 ( -0.171 0.000 3.032) 3.037 8.461 ( -5.713 0.000 -2.112) 6.091 8.484 ( 8.396 0.000 -0.984) 8.453 8.582 ( 8.922 0.000 5.372) 10.415 8.743 ( 4.528 0.000 -5.581) 7.187 8.845 ( 0.149 0.000 3.818) 3.821 8.884 ( 0.409 0.000 3.381) 3.405 8.892 ( 6.801 0.000 2.839) 7.370 8.965 ( -1.362 0.000 0.818) 1.589 9.076 ( -5.219 0.000 -9.770) 11.077 9.202 ( 6.545 0.000 -5.217) 8.370 9.295 ( 14.495 0.000 2.486) 14.707 9.335 ( -4.990 0.000 5.117) 7.147 9.387 ( 3.493 0.000 0.466) 3.524 9.537 ( 3.621 0.000 3.713) 5.187 9.606 ( 1.494 0.000 -2.726) 3.108 9.655 ( -1.041 0.000 -4.906) 5.015 9.685 ( 12.323 0.000 2.241) 12.525 9.799 ( 1.291 0.000 4.882) 5.050 9.857 ( 5.344 0.000 -2.075) 5.732 9.934 ( -5.180 0.000 -3.959) 6.520 10.005 ( 7.742 0.000 4.363) 8.887 10.225 ( 7.185 0.000 1.035) 7.259 10.234 ( -9.032 0.000 -4.812) 10.234 10.327 ( -8.250 0.000 -9.168) 12.334 10.470 ( -3.520 0.000 -0.730) 3.595 10.471 ( 3.059 0.000 6.903) 7.551 10.556 ( -13.932 0.000 -1.729) 14.039 10.701 ( 3.077 0.000 5.132) 5.984 10.739 ( -4.531 0.000 -0.629) 4.575 10.962 ( -6.026 0.000 -12.676) 14.036 11.062 ( 1.449 0.000 6.459) 6.620 11.140 ( -6.998 0.000 -6.027) 9.236 11.264 ( 2.663 0.000 7.386) 7.852 11.343 ( -10.613 0.000 0.042) 10.613 11.439 ( 0.256 0.000 -0.044) 0.260 11.691 ( 0.076 0.000 4.548) 4.548 11.742 ( -2.751 0.000 5.583) 6.224 11.824 ( -1.911 0.000 -1.716) 2.568 11.882 ( 1.372 0.000 -3.195) 3.477 12.153 ( 0.749 0.000 -2.821) 2.919 12.163 ( 8.541 0.000 4.969) 9.881 12.216 ( 1.135 0.000 -4.196) 4.347 12.351 ( 2.055 0.000 1.204) 2.382 12.458 ( -0.025 0.000 -1.630) 1.630 12.494 ( -5.620 0.000 -0.728) 5.667 12.697 ( -2.354 0.000 -1.691) 2.898 12.867 ( 2.162 0.000 -1.355) 2.551 13.073 ( 6.121 0.000 5.681) 8.351 13.115 ( 3.973 0.000 3.892) 5.562 13.150 ( 7.888 0.000 -2.289) 8.213 13.164 ( 4.824 0.000 0.361) 4.837 13.300 ( -5.217 0.000 4.845) 7.120 13.306 ( 1.000 0.000 -0.979) 1.399 13.404 ( 0.568 0.000 -6.745) 6.769 13.523 ( -3.180 0.000 -0.612) 3.239 13.532 ( 2.214 0.000 1.497) 2.673 13.600 ( -3.279 0.000 -2.006) 3.844 13.792 ( -0.962 0.000 -1.149) 1.498 13.817 ( 1.351 0.000 0.212) 1.367 14.563 ( 4.931 0.000 2.579) 5.565 14.582 ( 6.107 0.000 1.169) 6.218 14.704 ( 2.010 0.000 -0.384) 2.046 14.766 ( 1.667 0.000 -7.906) 8.080 14.929 ( 6.124 0.000 -7.936) 10.024 14.957 ( 5.804 0.000 -8.679) 10.441 15.264 ( -1.854 0.000 0.792) 2.016 15.395 ( -0.511 0.000 1.886) 1.954 15.603 ( 9.590 0.000 7.293) 12.048 15.760 ( 9.934 0.000 -0.629) 9.953 16.561 ( -28.026 0.000 16.968) 32.762 16.657 ( -33.433 0.000 -7.182) 34.196 17.665 ( -1.832 0.000 -0.745) 1.978 17.877 ( 2.179 0.000 1.400) 2.590 18.040 ( 1.144 0.000 -0.674) 1.328 18.041 ( -2.545 0.000 0.983) 2.728 18.120 ( 4.835 0.000 -0.575) 4.869 18.159 ( -1.685 0.000 4.609) 4.907 18.291 ( 4.086 0.000 -1.654) 4.409 18.403 ( -0.882 0.000 -0.143) 0.893 18.617 ( 1.565 0.000 -0.108) 1.568 18.663 ( 3.618 0.000 -0.797) 3.705 18.906 ( -7.020 0.000 1.990) 7.296 18.953 ( -4.494 0.000 -2.102) 4.961 21.184 ( 4.262 0.000 6.528) 7.796 21.237 ( 5.852 0.000 8.182) 10.060 21.500 ( 6.700 0.000 -10.010) 12.045 21.706 ( 7.471 0.000 -13.575) 15.495 22.694 ( -4.322 0.000 -1.905) 4.723 22.736 ( -1.636 0.000 0.824) 1.832 22.902 ( -0.192 0.000 -0.617) 0.646 22.995 ( 4.538 0.000 2.904) 5.387 23.058 ( -4.440 0.000 0.827) 4.517 23.108 ( 2.367 0.000 -1.841) 2.998 23.299 ( -6.458 0.000 5.197) 8.289 23.317 ( -0.000 0.000 -1.171) 1.171 ======================= Grid point 3 (4/70) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.110 ( -0.000 0.000 0.000) 0.000 2.125 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 0.000 -0.000) 0.000 2.271 ( -0.000 0.000 0.000) 0.000 2.276 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 -0.000) 0.000 2.643 ( -0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 -0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.439 ( -0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 -0.000) 0.000 3.499 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 -0.000) 0.000 3.751 ( 0.000 0.000 -0.000) 0.000 3.838 ( 0.000 0.000 0.000) 0.000 3.897 ( -0.000 0.000 0.000) 0.000 3.939 ( -0.000 0.000 -0.000) 0.000 3.966 ( -0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.061 ( -0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.335 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.383 ( -0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.649 ( -0.000 0.000 -0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 4.846 ( 0.000 0.000 0.000) 0.000 4.872 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 -0.000) 0.000 5.094 ( -0.000 0.000 0.000) 0.000 5.205 ( -0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 -0.000) 0.000 5.235 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.375 ( 0.000 0.000 0.000) 0.000 5.491 ( 0.000 0.000 -0.000) 0.000 5.607 ( 0.000 0.000 -0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 5.619 ( -0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.674 ( 0.000 0.000 -0.000) 0.000 5.704 ( -0.000 0.000 0.000) 0.000 5.733 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 -0.000) 0.000 5.947 ( -0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 -0.000) 0.000 6.185 ( 0.000 0.000 0.000) 0.000 6.217 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.344 ( -0.000 0.000 -0.000) 0.000 6.456 ( -0.000 0.000 -0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.689 ( 0.000 0.000 -0.000) 0.000 6.729 ( -0.000 0.000 0.000) 0.000 6.826 ( 0.000 0.000 -0.000) 0.000 6.862 ( 0.000 0.000 0.000) 0.000 6.911 ( -0.000 0.000 0.000) 0.000 6.952 ( 0.000 0.000 0.000) 0.000 7.049 ( -0.000 0.000 0.000) 0.000 7.111 ( 0.000 0.000 0.000) 0.000 7.173 ( 0.000 0.000 0.000) 0.000 7.182 ( -0.000 0.000 0.000) 0.000 7.290 ( 0.000 0.000 0.000) 0.000 7.299 ( 0.000 0.000 0.000) 0.000 7.331 ( -0.000 0.000 0.000) 0.000 7.470 ( 0.000 0.000 -0.000) 0.000 7.557 ( -0.000 0.000 0.000) 0.000 7.701 ( 0.000 0.000 0.000) 0.000 7.798 ( 0.000 0.000 0.000) 0.000 7.900 ( 0.000 0.000 -0.000) 0.000 7.930 ( 0.000 0.000 0.000) 0.000 8.032 ( 0.000 0.000 0.000) 0.000 8.192 ( 0.000 0.000 0.000) 0.000 8.245 ( 0.000 0.000 0.000) 0.000 8.298 ( 0.000 0.000 -0.000) 0.000 8.321 ( -0.000 0.000 0.000) 0.000 8.362 ( -0.000 0.000 -0.000) 0.000 8.416 ( 0.000 0.000 0.000) 0.000 8.435 ( 0.000 0.000 0.000) 0.000 8.744 ( 0.000 0.000 0.000) 0.000 8.773 ( -0.000 0.000 -0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 8.899 ( 0.000 0.000 0.000) 0.000 8.953 ( -0.000 0.000 0.000) 0.000 8.957 ( 0.000 0.000 -0.000) 0.000 8.979 ( 0.000 0.000 0.000) 0.000 9.270 ( -0.000 0.000 0.000) 0.000 9.279 ( 0.000 0.000 -0.000) 0.000 9.406 ( 0.000 0.000 0.000) 0.000 9.417 ( 0.000 0.000 0.000) 0.000 9.579 ( 0.000 0.000 0.000) 0.000 9.607 ( 0.000 0.000 0.000) 0.000 9.787 ( 0.000 0.000 -0.000) 0.000 9.827 ( 0.000 0.000 0.000) 0.000 9.832 ( 0.000 0.000 0.000) 0.000 9.863 ( 0.000 0.000 -0.000) 0.000 9.875 ( 0.000 0.000 0.000) 0.000 10.094 ( -0.000 0.000 0.000) 0.000 10.140 ( 0.000 0.000 0.000) 0.000 10.142 ( 0.000 0.000 0.000) 0.000 10.289 ( 0.000 0.000 0.000) 0.000 10.367 ( 0.000 0.000 0.000) 0.000 10.432 ( 0.000 0.000 0.000) 0.000 10.579 ( 0.000 0.000 0.000) 0.000 10.694 ( 0.000 0.000 0.000) 0.000 10.737 ( 0.000 0.000 0.000) 0.000 10.841 ( 0.000 0.000 0.000) 0.000 10.985 ( 0.000 0.000 0.000) 0.000 11.131 ( 0.000 0.000 0.000) 0.000 11.258 ( 0.000 0.000 0.000) 0.000 11.379 ( 0.000 0.000 -0.000) 0.000 11.392 ( 0.000 0.000 0.000) 0.000 11.719 ( 0.000 0.000 0.000) 0.000 11.764 ( 0.000 0.000 0.000) 0.000 11.786 ( 0.000 0.000 -0.000) 0.000 11.872 ( 0.000 0.000 0.000) 0.000 12.126 ( 0.000 0.000 -0.000) 0.000 12.200 ( 0.000 0.000 0.000) 0.000 12.332 ( 0.000 0.000 0.000) 0.000 12.337 ( -0.000 0.000 -0.000) 0.000 12.417 ( 0.000 0.000 0.000) 0.000 12.458 ( 0.000 0.000 0.000) 0.000 12.664 ( 0.000 0.000 0.000) 0.000 12.879 ( 0.000 0.000 0.000) 0.000 13.154 ( 0.000 0.000 0.000) 0.000 13.177 ( 0.000 0.000 0.000) 0.000 13.202 ( 0.000 0.000 -0.000) 0.000 13.268 ( 0.000 0.000 0.000) 0.000 13.271 ( -0.000 0.000 -0.000) 0.000 13.315 ( -0.000 0.000 -0.000) 0.000 13.425 ( -0.000 0.000 -0.000) 0.000 13.452 ( 0.000 0.000 0.000) 0.000 13.482 ( -0.000 0.000 0.000) 0.000 13.586 ( 0.000 0.000 0.000) 0.000 13.771 ( 0.000 0.000 0.000) 0.000 13.832 ( 0.000 0.000 0.000) 0.000 14.657 ( -0.000 0.000 -0.000) 0.000 14.665 ( 0.000 0.000 -0.000) 0.000 14.698 ( 0.000 0.000 0.000) 0.000 14.714 ( -0.000 0.000 0.000) 0.000 14.934 ( 0.000 0.000 0.000) 0.000 14.936 ( 0.000 0.000 0.000) 0.000 15.253 ( 0.000 0.000 0.000) 0.000 15.403 ( 0.000 0.000 0.000) 0.000 15.886 ( 0.000 0.000 0.000) 0.000 15.921 ( 0.000 0.000 0.000) 0.000 16.130 ( 0.000 0.000 0.000) 0.000 16.370 ( 0.000 0.000 0.000) 0.000 17.645 ( 0.000 0.000 0.000) 0.000 17.924 ( 0.000 0.000 0.000) 0.000 18.008 ( -0.000 0.000 0.000) 0.000 18.042 ( 0.000 0.000 0.000) 0.000 18.163 ( 0.000 0.000 0.000) 0.000 18.167 ( 0.000 0.000 0.000) 0.000 18.330 ( 0.000 0.000 0.000) 0.000 18.387 ( 0.000 0.000 0.000) 0.000 18.637 ( 0.000 0.000 0.000) 0.000 18.697 ( 0.000 0.000 0.000) 0.000 18.852 ( -0.000 0.000 0.000) 0.000 18.890 ( 0.000 0.000 0.000) 0.000 21.267 ( 0.000 0.000 0.000) 0.000 21.336 ( 0.000 0.000 0.000) 0.000 21.509 ( 0.000 0.000 0.000) 0.000 21.689 ( 0.000 0.000 0.000) 0.000 22.634 ( 0.000 0.000 0.000) 0.000 22.725 ( 0.000 0.000 0.000) 0.000 22.898 ( 0.000 0.000 0.000) 0.000 23.017 ( 0.000 0.000 0.000) 0.000 23.066 ( 0.000 0.000 0.000) 0.000 23.129 ( 0.000 0.000 0.000) 0.000 23.259 ( 0.000 0.000 0.000) 0.000 23.307 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/70) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 0.000 34.745 0.000) 34.745 0.771 ( 0.000 37.336 0.000) 37.336 1.521 ( 0.000 72.648 0.000) 72.648 2.041 ( 0.000 -7.745 0.000) 7.745 2.443 ( 0.000 17.304 0.000) 17.304 2.492 ( 0.000 9.106 0.000) 9.106 2.518 ( 0.000 8.531 0.000) 8.531 2.542 ( 0.000 0.773 0.000) 0.773 2.573 ( 0.000 7.130 0.000) 7.130 2.709 ( 0.000 2.353 0.000) 2.353 2.843 ( 0.000 4.535 0.000) 4.535 3.049 ( 0.000 1.057 0.000) 1.057 3.052 ( 0.000 8.474 0.000) 8.474 3.192 ( 0.000 -2.391 0.000) 2.391 3.353 ( 0.000 -2.331 0.000) 2.331 3.436 ( 0.000 1.778 0.000) 1.778 3.587 ( 0.000 -15.050 0.000) 15.050 3.610 ( 0.000 4.115 0.000) 4.115 3.774 ( 0.000 -10.891 0.000) 10.891 3.800 ( 0.000 1.438 0.000) 1.438 3.856 ( 0.000 -8.888 0.000) 8.888 3.934 ( 0.000 -2.909 0.000) 2.909 3.955 ( 0.000 -2.408 0.000) 2.408 3.979 ( 0.000 -6.806 0.000) 6.806 3.991 ( 0.000 -0.499 0.000) 0.499 4.195 ( 0.000 -7.139 0.000) 7.139 4.307 ( 0.000 -1.717 0.000) 1.717 4.333 ( 0.000 3.662 0.000) 3.662 4.370 ( 0.000 -1.570 0.000) 1.570 4.397 ( 0.000 8.613 0.000) 8.613 4.587 ( 0.000 2.414 0.000) 2.414 4.651 ( 0.000 4.226 0.000) 4.226 4.751 ( 0.000 -12.704 0.000) 12.704 4.790 ( 0.000 -4.238 0.000) 4.238 4.843 ( 0.000 2.005 0.000) 2.005 4.883 ( 0.000 0.852 0.000) 0.852 4.899 ( 0.000 -21.882 0.000) 21.882 4.997 ( 0.000 2.900 0.000) 2.900 5.025 ( 0.000 0.964 0.000) 0.964 5.162 ( 0.000 -2.406 0.000) 2.406 5.233 ( 0.000 -15.944 0.000) 15.944 5.248 ( 0.000 2.854 0.000) 2.854 5.478 ( 0.000 -4.279 0.000) 4.279 5.491 ( 0.000 11.001 0.000) 11.001 5.539 ( 0.000 -10.363 0.000) 10.363 5.653 ( 0.000 -1.771 0.000) 1.771 5.684 ( 0.000 -8.477 0.000) 8.477 5.731 ( 0.000 4.878 0.000) 4.878 5.817 ( 0.000 -15.404 0.000) 15.404 5.946 ( 0.000 0.196 0.000) 0.196 5.983 ( 0.000 -4.740 0.000) 4.740 6.004 ( 0.000 0.045 0.000) 0.045 6.122 ( 0.000 0.881 0.000) 0.881 6.173 ( 0.000 0.152 0.000) 0.152 6.184 ( 0.000 1.779 0.000) 1.779 6.329 ( 0.000 11.779 0.000) 11.779 6.347 ( 0.000 4.077 0.000) 4.077 6.420 ( 0.000 3.890 0.000) 3.890 6.553 ( 0.000 -0.738 0.000) 0.738 6.614 ( 0.000 2.945 0.000) 2.945 6.622 ( 0.000 -8.366 0.000) 8.366 6.727 ( 0.000 3.141 0.000) 3.141 6.758 ( 0.000 -4.647 0.000) 4.647 6.813 ( 0.000 0.166 0.000) 0.166 6.926 ( 0.000 2.951 0.000) 2.951 6.935 ( 0.000 -2.248 0.000) 2.248 6.971 ( 0.000 7.164 0.000) 7.164 7.049 ( 0.000 13.768 0.000) 13.768 7.161 ( 0.000 6.576 0.000) 6.576 7.198 ( 0.000 -6.546 0.000) 6.546 7.296 ( 0.000 0.589 0.000) 0.589 7.529 ( 0.000 -13.364 0.000) 13.364 7.545 ( 0.000 -17.669 0.000) 17.669 7.590 ( 0.000 1.300 0.000) 1.300 7.604 ( 0.000 -4.468 0.000) 4.468 7.669 ( 0.000 -2.748 0.000) 2.748 7.772 ( 0.000 -6.907 0.000) 6.907 7.863 ( 0.000 1.565 0.000) 1.565 7.943 ( 0.000 -1.574 0.000) 1.574 7.984 ( 0.000 -0.636 0.000) 0.636 8.192 ( 0.000 -5.413 0.000) 5.413 8.220 ( 0.000 -13.982 0.000) 13.982 8.237 ( 0.000 -8.722 0.000) 8.722 8.263 ( 0.000 -2.785 0.000) 2.785 8.300 ( 0.000 -4.723 0.000) 4.723 8.525 ( 0.000 13.995 0.000) 13.995 8.547 ( 0.000 -1.240 0.000) 1.240 8.556 ( 0.000 1.439 0.000) 1.439 8.714 ( 0.000 11.176 0.000) 11.176 8.756 ( 0.000 2.703 0.000) 2.703 8.802 ( 0.000 -10.451 0.000) 10.451 8.837 ( 0.000 4.075 0.000) 4.075 8.897 ( 0.000 13.685 0.000) 13.685 8.984 ( 0.000 11.837 0.000) 11.837 9.096 ( 0.000 9.730 0.000) 9.730 9.102 ( 0.000 -1.853 0.000) 1.853 9.339 ( 0.000 10.347 0.000) 10.347 9.387 ( 0.000 -0.348 0.000) 0.348 9.425 ( 0.000 -7.042 0.000) 7.042 9.602 ( 0.000 2.461 0.000) 2.461 9.609 ( 0.000 -4.386 0.000) 4.386 9.686 ( 0.000 -8.135 0.000) 8.135 9.746 ( 0.000 9.709 0.000) 9.709 9.817 ( 0.000 7.667 0.000) 7.667 9.834 ( 0.000 4.452 0.000) 4.452 9.969 ( 0.000 11.127 0.000) 11.127 10.175 ( 0.000 4.763 0.000) 4.763 10.199 ( 0.000 3.794 0.000) 3.794 10.417 ( 0.000 11.916 0.000) 11.916 10.483 ( 0.000 -1.399 0.000) 1.399 10.584 ( 0.000 3.263 0.000) 3.263 10.670 ( 0.000 5.469 0.000) 5.469 10.751 ( 0.000 -8.695 0.000) 8.695 10.941 ( 0.000 0.813 0.000) 0.813 10.990 ( 0.000 -0.528 0.000) 0.528 11.158 ( 0.000 -0.312 0.000) 0.312 11.249 ( 0.000 -6.828 0.000) 6.828 11.312 ( 0.000 -4.090 0.000) 4.090 11.466 ( 0.000 -3.302 0.000) 3.302 11.468 ( 0.000 -5.567 0.000) 5.567 11.638 ( 0.000 -3.216 0.000) 3.216 11.780 ( 0.000 -6.018 0.000) 6.018 11.833 ( 0.000 1.179 0.000) 1.179 11.865 ( 0.000 -1.527 0.000) 1.527 11.893 ( 0.000 -6.058 0.000) 6.058 11.956 ( 0.000 -7.697 0.000) 7.697 12.244 ( 0.000 -0.428 0.000) 0.428 12.293 ( 0.000 -3.104 0.000) 3.104 12.507 ( 0.000 -2.993 0.000) 2.993 12.613 ( 0.000 -10.609 0.000) 10.609 12.661 ( 0.000 -5.768 0.000) 5.768 12.766 ( 0.000 -9.309 0.000) 9.309 12.889 ( 0.000 3.215 0.000) 3.215 13.106 ( 0.000 7.586 0.000) 7.586 13.179 ( 0.000 4.436 0.000) 4.436 13.314 ( 0.000 4.563 0.000) 4.563 13.421 ( 0.000 3.637 0.000) 3.637 13.454 ( 0.000 6.171 0.000) 6.171 13.559 ( 0.000 8.362 0.000) 8.362 13.611 ( 0.000 1.624 0.000) 1.624 13.615 ( 0.000 8.652 0.000) 8.652 13.763 ( 0.000 4.715 0.000) 4.715 13.788 ( 0.000 0.323 0.000) 0.323 13.858 ( 0.000 3.728 0.000) 3.728 14.380 ( 0.000 -0.986 0.000) 0.986 14.414 ( 0.000 1.401 0.000) 1.401 14.468 ( 0.000 0.314 0.000) 0.314 14.653 ( 0.000 -3.684 0.000) 3.684 14.907 ( 0.000 5.895 0.000) 5.895 14.947 ( 0.000 1.841 0.000) 1.841 15.291 ( 0.000 -3.224 0.000) 3.224 15.389 ( 0.000 1.189 0.000) 1.189 15.460 ( 0.000 -2.575 0.000) 2.575 15.903 ( 0.000 -7.450 0.000) 7.450 16.294 ( 0.000 -4.104 0.000) 4.104 17.410 ( 0.000 -29.008 0.000) 29.008 17.700 ( 0.000 1.322 0.000) 1.322 17.760 ( 0.000 2.340 0.000) 2.340 17.809 ( 0.000 3.032 0.000) 3.032 17.865 ( 0.000 2.379 0.000) 2.379 18.132 ( 0.000 3.588 0.000) 3.588 18.152 ( 0.000 1.609 0.000) 1.609 18.331 ( 0.000 1.805 0.000) 1.805 18.396 ( 0.000 3.223 0.000) 3.223 18.625 ( 0.000 3.280 0.000) 3.280 18.672 ( 0.000 5.334 0.000) 5.334 19.000 ( 0.000 -1.529 0.000) 1.529 19.233 ( 0.000 -5.707 0.000) 5.707 20.945 ( 0.000 -0.325 0.000) 0.325 21.072 ( 0.000 14.814 0.000) 14.814 21.562 ( 0.000 0.264 0.000) 0.264 22.173 ( 0.000 -6.055 0.000) 6.055 22.716 ( 0.000 -2.500 0.000) 2.500 22.811 ( 0.000 0.109 0.000) 0.109 22.845 ( 0.000 -0.873 0.000) 0.873 22.873 ( 0.000 0.130 0.000) 0.130 22.969 ( 0.000 -0.231 0.000) 0.231 23.100 ( 0.000 -2.963 0.000) 2.963 23.187 ( 0.000 -3.898 0.000) 3.898 23.292 ( 0.000 -1.822 0.000) 1.822 ======================= Grid point 8 (6/70) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 18.858 26.220 10.784) 34.051 1.227 ( 23.989 26.477 17.247) 39.673 1.887 ( 26.087 46.694 22.991) 58.219 2.011 ( 2.098 -5.874 -12.835) 14.270 2.207 ( -2.695 5.542 -13.161) 14.532 2.374 ( 4.245 12.017 -7.285) 14.680 2.548 ( -1.782 5.504 5.524) 7.999 2.599 ( -3.092 -1.257 2.379) 4.099 2.693 ( -0.679 6.178 5.940) 8.597 2.750 ( -4.957 8.643 -2.002) 10.163 2.887 ( 2.966 0.182 4.099) 5.062 2.975 ( -2.471 10.432 3.301) 11.218 3.032 ( -4.890 1.456 5.988) 7.867 3.230 ( 3.695 1.294 1.745) 4.287 3.268 ( -5.601 0.908 -1.718) 5.929 3.413 ( -6.902 -7.369 -9.498) 13.862 3.492 ( 0.708 0.812 2.082) 2.345 3.646 ( -2.973 -6.756 -0.719) 7.416 3.740 ( -8.250 -0.417 0.354) 8.268 3.796 ( 1.897 -3.784 -6.352) 7.633 3.815 ( -0.080 -7.826 -4.920) 9.245 3.833 ( 4.523 -3.264 2.273) 6.023 3.892 ( 0.204 -4.319 -3.026) 5.277 4.018 ( -3.316 -0.972 -8.430) 9.111 4.041 ( 3.074 3.529 -6.445) 7.965 4.153 ( 6.196 -6.997 0.087) 9.347 4.198 ( -3.115 -5.026 0.582) 5.941 4.286 ( -2.905 -2.865 -0.214) 4.086 4.396 ( 8.058 -0.581 -2.019) 8.328 4.457 ( -0.147 4.514 -4.242) 6.196 4.550 ( -3.855 -1.310 -8.886) 9.775 4.587 ( -2.573 -7.430 -4.124) 8.879 4.737 ( 7.035 2.222 4.045) 8.413 4.802 ( -5.390 6.245 -3.116) 8.819 4.869 ( 4.102 2.839 4.405) 6.655 4.919 ( 0.232 -2.572 1.746) 3.118 4.964 ( -0.056 -4.018 0.348) 4.034 5.070 ( 8.971 -7.246 2.449) 11.789 5.142 ( 3.298 -5.056 2.782) 6.647 5.154 ( -0.253 -2.151 6.061) 6.436 5.211 ( 2.267 -6.737 -3.839) 8.078 5.298 ( 4.870 -4.511 -1.969) 6.924 5.457 ( -2.722 -1.968 -3.689) 4.989 5.551 ( 1.673 -2.626 7.441) 8.066 5.580 ( 0.257 -3.626 -3.971) 5.383 5.615 ( 1.404 -2.255 1.811) 3.215 5.676 ( -5.933 -9.062 -3.438) 11.364 5.739 ( 8.984 -5.493 3.761) 11.182 5.849 ( -4.699 1.168 -4.715) 6.759 5.895 ( 1.481 7.801 5.187) 9.484 5.953 ( -5.099 -0.257 -2.141) 5.536 6.030 ( -0.350 -1.744 -2.591) 3.143 6.086 ( -0.775 1.974 0.074) 2.122 6.168 ( 1.523 -4.853 -1.031) 5.189 6.205 ( -14.983 0.766 -1.176) 15.049 6.239 ( -6.784 6.734 7.531) 12.169 6.288 ( 2.768 -0.893 1.824) 3.433 6.423 ( -6.075 5.994 -0.240) 8.538 6.468 ( -0.364 -4.999 -7.287) 8.844 6.521 ( -1.497 5.675 4.701) 7.519 6.647 ( -3.076 -4.857 -1.936) 6.066 6.679 ( 0.820 0.712 3.002) 3.192 6.750 ( 2.858 3.643 -0.445) 4.652 6.874 ( 1.320 6.911 -3.761) 7.978 6.911 ( -7.307 7.447 -4.097) 11.209 6.954 ( 0.525 -6.309 7.820) 10.062 6.963 ( 0.309 -0.199 1.909) 1.944 7.046 ( 3.060 7.572 1.640) 8.330 7.138 ( 3.224 -0.417 3.984) 5.143 7.224 ( 1.438 -5.576 -1.196) 5.881 7.370 ( -9.201 -6.231 2.571) 11.406 7.418 ( -5.350 -7.344 -4.281) 10.044 7.531 ( 2.877 -3.866 -6.840) 8.367 7.582 ( 1.493 -7.092 4.622) 8.596 7.617 ( 0.491 -1.509 -4.394) 4.671 7.736 ( 0.801 -3.879 -1.690) 4.306 7.751 ( -0.264 -1.894 3.942) 4.381 7.831 ( 1.126 3.398 -3.018) 4.682 7.917 ( 2.472 -0.528 0.127) 2.531 7.952 ( -3.957 0.536 -0.234) 4.000 8.060 ( 2.056 3.239 -0.533) 3.873 8.221 ( 1.537 1.527 -3.007) 3.707 8.248 ( 0.654 -7.020 -3.578) 7.906 8.293 ( -0.585 -1.284 2.663) 3.013 8.324 ( 2.636 -0.447 -6.486) 7.015 8.409 ( -3.585 -1.353 -1.743) 4.209 8.473 ( 8.065 -4.550 -3.986) 10.081 8.572 ( 1.868 -0.202 -1.728) 2.553 8.668 ( -3.874 3.639 -1.858) 5.630 8.760 ( 2.268 -0.144 0.416) 2.310 8.881 ( -0.355 10.108 -2.085) 10.327 8.951 ( 5.243 2.870 3.490) 6.922 8.971 ( 1.051 4.729 1.445) 5.055 9.059 ( 7.266 2.887 3.053) 8.393 9.121 ( 4.700 -0.099 -4.386) 6.430 9.231 ( 4.518 -3.579 5.565) 8.011 9.278 ( -0.729 4.228 -3.699) 5.664 9.377 ( 1.379 1.854 4.602) 5.150 9.455 ( 1.330 0.172 -2.235) 2.607 9.563 ( -4.562 -3.670 0.418) 5.870 9.600 ( 0.327 -1.384 -1.370) 1.975 9.740 ( 1.467 0.893 2.384) 2.938 9.827 ( 1.920 3.528 8.548) 9.445 9.863 ( 6.325 6.852 -3.892) 10.105 9.933 ( 2.558 10.572 -5.187) 12.051 10.080 ( 12.272 5.452 3.341) 13.838 10.114 ( -2.536 4.108 -0.318) 4.838 10.308 ( 0.959 1.947 7.994) 8.283 10.357 ( -5.486 -9.109 -0.263) 10.637 10.491 ( 1.622 10.156 1.353) 10.373 10.579 ( -0.091 -2.495 -2.040) 3.224 10.594 ( -4.355 1.840 -4.857) 6.778 10.736 ( -3.552 -0.465 0.449) 3.610 10.861 ( -6.760 2.121 -1.107) 7.171 10.992 ( -4.381 -0.979 3.020) 5.410 11.137 ( -5.925 -1.763 1.168) 6.291 11.208 ( 2.551 -0.877 0.612) 2.765 11.359 ( 3.246 -5.238 -0.287) 6.169 11.397 ( -3.180 4.182 -1.884) 5.581 11.554 ( -3.332 -3.806 4.355) 6.675 11.567 ( -2.587 -4.215 -0.075) 4.946 11.711 ( -6.454 -1.405 2.959) 7.237 11.799 ( -1.578 -2.214 -3.608) 4.517 11.891 ( 0.340 -3.018 0.652) 3.107 11.957 ( 6.749 -6.521 -0.929) 9.431 12.018 ( 8.430 -5.774 -1.499) 10.328 12.225 ( 0.002 0.310 -0.083) 0.321 12.279 ( 0.010 -3.046 -2.442) 3.904 12.457 ( -4.366 -4.048 -1.368) 6.109 12.515 ( -7.799 -6.857 2.822) 10.761 12.692 ( 0.735 -8.347 -1.034) 8.443 12.776 ( 0.719 -8.926 -1.574) 9.092 12.913 ( 3.530 2.038 0.421) 4.098 13.109 ( -0.257 6.942 -2.388) 7.345 13.145 ( -3.403 12.521 0.614) 12.989 13.235 ( 4.545 7.323 0.282) 8.624 13.388 ( -5.118 5.037 0.984) 7.248 13.464 ( 3.695 4.669 -2.193) 6.345 13.500 ( 2.796 11.924 -6.040) 13.656 13.580 ( -0.540 4.947 0.912) 5.060 13.632 ( -1.176 7.965 1.339) 8.162 13.708 ( -0.907 5.755 -0.049) 5.826 13.796 ( 0.142 0.772 0.455) 0.908 13.854 ( -0.351 3.228 -1.023) 3.405 14.465 ( 4.451 0.754 0.743) 4.575 14.492 ( 3.919 0.437 -0.747) 4.014 14.563 ( 8.437 -6.585 -1.450) 10.801 14.719 ( 7.280 -6.011 -5.443) 10.898 14.929 ( 5.463 3.168 -4.255) 7.615 14.962 ( 5.710 2.499 -6.559) 9.049 15.284 ( -1.177 -2.088 -1.047) 2.616 15.392 ( -0.985 0.343 2.368) 2.587 15.511 ( 4.964 0.927 0.851) 5.121 15.677 ( -0.003 2.313 -12.626) 12.836 16.440 ( -23.218 -23.125 34.897) 47.871 17.168 ( -28.350 -17.304 0.722) 33.221 17.697 ( 6.450 -3.193 -1.189) 7.295 17.782 ( 3.057 0.526 -0.103) 3.103 17.870 ( 2.666 2.674 0.628) 3.828 17.983 ( 6.678 -2.109 2.636) 7.483 18.100 ( 0.316 1.758 -2.397) 2.989 18.179 ( 0.041 3.646 2.006) 4.161 18.280 ( -1.413 0.864 -1.955) 2.562 18.429 ( 1.589 2.655 0.217) 3.101 18.608 ( -2.729 3.074 0.501) 4.141 18.699 ( 2.623 4.693 -0.050) 5.377 18.957 ( -4.898 -1.524 0.955) 5.218 19.143 ( -6.188 -0.598 -2.102) 6.562 21.042 ( 6.069 0.606 6.250) 8.733 21.115 ( 2.925 10.282 3.676) 11.305 21.519 ( 2.499 -0.567 -9.012) 9.369 21.927 ( 1.350 7.593 -21.349) 22.699 22.728 ( -1.124 -1.972 1.556) 2.752 22.736 ( -0.663 -1.466 0.275) 1.633 22.884 ( 2.898 -0.089 1.443) 3.238 22.911 ( -0.537 -0.781 -1.376) 1.671 23.069 ( 0.495 -3.796 1.764) 4.215 23.119 ( -6.181 -3.427 0.571) 7.090 23.220 ( -0.252 -5.929 11.559) 12.993 23.295 ( 0.910 -2.636 -1.535) 3.183 ======================= Grid point 9 (7/70) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 23.622 14.561 13.963) 31.064 1.712 ( 13.439 22.454 12.985) 29.213 1.895 ( 12.604 0.300 -15.198) 19.747 2.140 ( 4.554 0.668 -7.182) 8.530 2.363 ( -2.794 -0.374 1.543) 3.214 2.414 ( 3.131 9.903 -3.776) 11.051 2.523 ( -7.364 5.638 6.654) 11.415 2.576 ( -13.667 6.386 3.050) 15.391 2.672 ( 0.755 10.692 -3.852) 11.389 2.800 ( 6.797 8.707 7.502) 13.353 2.882 ( -1.751 -1.712 -0.986) 2.640 2.930 ( -8.888 3.131 -3.372) 10.009 3.043 ( 1.507 3.375 4.980) 6.201 3.142 ( 5.035 -1.049 -3.214) 6.065 3.325 ( 2.356 2.331 4.629) 5.693 3.388 ( 6.785 0.519 2.821) 7.367 3.489 ( -10.299 -2.459 7.218) 12.814 3.519 ( -3.625 -2.383 4.735) 6.422 3.683 ( 4.392 1.187 -9.673) 10.689 3.721 ( 1.541 -2.422 -0.077) 2.872 3.781 ( -0.787 -3.031 -3.528) 4.717 3.867 ( 2.128 -7.132 -5.515) 9.263 3.896 ( 2.530 -5.629 -5.481) 8.253 3.937 ( 1.754 1.340 4.685) 5.178 4.035 ( -0.623 -1.542 -3.350) 3.740 4.155 ( 1.424 -1.123 -8.762) 8.948 4.238 ( -1.061 -1.571 -6.665) 6.929 4.303 ( 2.951 -1.234 2.598) 4.121 4.318 ( 2.238 -0.812 3.340) 4.102 4.510 ( 5.041 0.287 -1.377) 5.233 4.530 ( -2.282 0.837 -1.744) 2.992 4.602 ( 0.880 7.669 0.528) 7.737 4.672 ( 2.608 -3.066 3.159) 5.117 4.822 ( -2.486 0.905 0.194) 2.653 4.884 ( -0.954 -1.243 0.763) 1.743 4.946 ( -0.581 -1.169 0.777) 1.519 5.000 ( -0.452 -9.793 -2.670) 10.161 5.085 ( 1.095 -8.375 -0.128) 8.447 5.137 ( -1.843 -1.049 2.090) 2.977 5.285 ( 0.089 0.764 -0.977) 1.243 5.311 ( 4.849 -6.967 1.489) 8.618 5.359 ( 0.847 1.916 9.091) 9.329 5.418 ( 3.525 -3.293 -5.052) 6.985 5.450 ( -5.553 -11.118 -5.173) 13.461 5.564 ( -2.560 -3.779 0.287) 4.573 5.611 ( -0.256 0.513 -4.658) 4.693 5.630 ( -5.227 -5.338 4.994) 8.987 5.711 ( -0.921 0.840 -7.580) 7.682 5.812 ( -8.412 7.489 -4.053) 11.969 5.873 ( -1.311 0.344 -0.562) 1.468 5.923 ( -2.099 -4.413 2.472) 5.476 5.948 ( -2.976 3.151 -0.775) 4.403 5.987 ( -1.724 2.196 4.596) 5.378 6.122 ( 0.929 -3.584 2.139) 4.276 6.173 ( 3.698 4.985 0.439) 6.222 6.230 ( -5.900 3.686 -0.470) 6.973 6.280 ( -2.912 3.209 0.654) 4.382 6.402 ( 1.690 -5.524 -2.336) 6.231 6.481 ( 4.909 -8.224 -5.273) 10.933 6.544 ( 0.991 -0.578 2.575) 2.819 6.640 ( 3.291 -3.820 1.240) 5.192 6.681 ( -4.840 4.207 3.797) 7.452 6.766 ( -1.355 -3.028 3.050) 4.506 6.827 ( -2.119 1.391 -3.039) 3.958 6.845 ( 2.970 1.202 -5.879) 6.695 7.013 ( -1.239 -0.930 6.071) 6.265 7.054 ( 3.097 2.652 7.618) 8.641 7.066 ( 0.291 1.733 0.582) 1.851 7.130 ( -2.552 -9.634 2.022) 10.169 7.229 ( -0.839 1.466 -5.620) 5.869 7.344 ( -0.217 6.416 3.524) 7.323 7.410 ( 2.864 8.308 10.062) 13.359 7.490 ( -5.755 3.308 -1.333) 6.770 7.549 ( -4.394 -9.800 4.909) 11.809 7.569 ( -7.044 -2.498 -5.134) 9.068 7.617 ( -2.151 -1.908 -3.235) 4.328 7.639 ( -4.863 -7.177 -5.921) 10.498 7.855 ( -1.520 -6.691 -1.092) 6.948 7.993 ( 5.746 -0.657 2.313) 6.229 8.057 ( 5.648 -1.042 0.703) 5.786 8.095 ( 1.380 -1.930 -2.897) 3.745 8.183 ( -1.075 -2.286 -9.367) 9.702 8.210 ( -0.644 1.665 3.585) 4.005 8.301 ( 4.588 3.980 0.324) 6.082 8.313 ( -1.577 -6.750 -0.624) 6.960 8.415 ( 1.933 0.570 2.938) 3.563 8.558 ( 3.920 4.660 -2.621) 6.629 8.583 ( 3.651 -1.240 -1.423) 4.110 8.722 ( 5.270 1.402 4.678) 7.185 8.764 ( 1.055 -5.742 -6.332) 8.613 8.828 ( -0.746 -3.477 3.683) 5.120 8.972 ( -0.668 7.513 -1.641) 7.719 9.084 ( -2.269 4.930 0.679) 5.469 9.104 ( 4.686 3.156 3.137) 6.462 9.246 ( 0.683 -2.784 -3.236) 4.323 9.266 ( 6.150 -0.376 -0.696) 6.200 9.328 ( 7.701 -0.448 0.429) 7.726 9.433 ( -0.862 2.977 5.585) 6.387 9.518 ( 0.606 1.748 -1.937) 2.679 9.560 ( 6.456 -3.011 4.335) 8.339 9.649 ( 5.938 2.725 0.036) 6.534 9.754 ( -0.266 -1.440 0.181) 1.476 9.850 ( 0.246 10.200 -2.445) 10.492 9.939 ( 6.005 7.201 -0.974) 9.426 9.977 ( 1.992 4.319 -1.683) 5.045 10.076 ( 0.024 4.773 2.655) 5.462 10.196 ( -4.214 -5.170 -0.986) 6.742 10.235 ( -4.064 -1.985 -3.413) 5.666 10.308 ( -3.261 -0.553 -2.809) 4.340 10.474 ( -0.191 -1.236 1.126) 1.683 10.548 ( -1.269 6.728 1.309) 6.971 10.603 ( -2.552 1.199 0.150) 2.824 10.684 ( -3.033 6.353 3.233) 7.747 10.698 ( -6.443 0.315 1.566) 6.638 10.943 ( 0.907 1.112 -4.351) 4.582 11.098 ( 1.333 0.022 1.605) 2.087 11.227 ( -8.342 4.192 -8.126) 12.377 11.318 ( 0.226 4.381 2.552) 5.075 11.341 ( -4.502 0.100 2.987) 5.404 11.437 ( -1.901 -1.328 -1.801) 2.936 11.629 ( -0.783 -4.830 4.574) 6.698 11.712 ( -1.310 -3.947 6.494) 7.711 11.740 ( -0.577 -2.341 -2.177) 3.248 11.880 ( -0.560 -2.675 -1.987) 3.379 12.049 ( 5.260 -5.785 -1.169) 7.905 12.144 ( 6.691 -5.911 -1.644) 9.078 12.258 ( 0.452 -7.698 0.286) 7.717 12.270 ( 1.288 3.785 2.246) 4.586 12.363 ( -2.389 -7.404 -2.450) 8.156 12.432 ( -5.055 -5.030 1.247) 7.239 12.659 ( -1.770 -6.619 -2.248) 7.211 12.742 ( -1.310 -8.909 -2.094) 9.245 13.037 ( 7.116 -0.737 3.319) 7.886 13.122 ( 4.242 4.368 -0.586) 6.117 13.200 ( 2.484 4.109 3.643) 6.027 13.298 ( -5.502 6.663 1.466) 8.764 13.329 ( 2.997 5.724 1.877) 6.729 13.481 ( 2.328 11.858 -4.319) 12.833 13.502 ( 2.065 7.140 -1.699) 7.625 13.588 ( -1.242 5.586 0.581) 5.752 13.606 ( -0.341 6.247 -1.727) 6.490 13.685 ( -1.512 7.736 -0.377) 7.892 13.799 ( -0.567 1.027 -0.790) 1.414 13.843 ( 0.792 2.031 -0.221) 2.191 14.548 ( 4.979 -1.805 -0.187) 5.299 14.576 ( 4.436 -0.339 1.171) 4.600 14.641 ( 2.903 -4.709 -1.357) 5.696 14.737 ( 1.593 -3.296 -2.920) 4.683 14.956 ( 5.260 2.385 -7.716) 9.638 14.969 ( 3.469 1.064 -6.694) 7.614 15.249 ( -1.699 -1.339 0.318) 2.186 15.413 ( 0.479 1.046 1.715) 2.065 15.597 ( 6.446 -0.774 1.718) 6.716 15.740 ( 10.334 -0.784 2.225) 10.600 16.307 ( -19.745 -17.730 10.207) 28.432 16.646 ( -30.517 -6.012 -0.174) 31.104 17.694 ( -0.949 2.637 -1.080) 3.003 17.887 ( 3.032 0.928 1.093) 3.354 17.964 ( 6.585 -2.902 0.830) 7.244 18.051 ( 0.643 -0.065 1.028) 1.214 18.132 ( 3.380 1.641 -0.293) 3.768 18.190 ( -2.413 2.817 4.202) 5.605 18.268 ( 3.434 -0.728 -3.194) 4.746 18.445 ( 0.465 2.221 -0.726) 2.383 18.565 ( -1.994 0.228 0.448) 2.056 18.712 ( -1.807 0.498 -0.893) 2.076 18.903 ( -0.871 1.977 0.523) 2.222 19.022 ( -6.208 2.732 0.141) 6.785 21.222 ( 2.680 3.269 6.903) 8.095 21.237 ( 3.913 0.243 7.333) 8.315 21.477 ( 6.191 -1.929 -10.121) 12.021 21.779 ( 1.733 4.336 -11.558) 12.466 22.669 ( -4.334 -2.292 -2.078) 5.325 22.736 ( -0.705 -0.095 1.543) 1.699 22.889 ( -0.605 -1.478 -0.100) 1.601 22.983 ( 3.380 -1.204 2.093) 4.154 23.029 ( -3.216 -2.540 0.599) 4.141 23.096 ( 3.310 -1.221 -1.690) 3.912 23.256 ( -5.245 -3.658 4.991) 8.112 23.283 ( -0.093 -3.153 -1.331) 3.424 ======================= Grid point 10 (8/70) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -0.000 7.360 0.000) 7.360 1.999 ( -0.000 2.307 0.000) 2.307 2.083 ( 0.000 5.847 0.000) 5.847 2.118 ( 0.000 2.869 0.000) 2.869 2.168 ( -0.000 2.648 -0.000) 2.648 2.341 ( 0.000 7.529 0.000) 7.529 2.453 ( 0.000 11.281 0.000) 11.281 2.473 ( 0.000 13.394 -0.000) 13.394 2.678 ( 0.000 5.072 0.000) 5.072 2.716 ( 0.000 -2.664 -0.000) 2.664 2.812 ( 0.000 8.596 -0.000) 8.596 2.934 ( 0.000 -1.915 0.000) 1.915 3.005 ( 0.000 -0.326 -0.000) 0.326 3.205 ( 0.000 -6.796 0.000) 6.796 3.368 ( 0.000 1.775 0.000) 1.775 3.435 ( 0.000 -4.151 0.000) 4.151 3.516 ( 0.000 0.001 0.000) 0.001 3.648 ( 0.000 -1.273 0.000) 1.273 3.660 ( 0.000 1.513 0.000) 1.513 3.744 ( 0.000 -7.721 0.000) 7.721 3.817 ( 0.000 2.713 0.000) 2.713 3.869 ( 0.241 -6.438 -0.954) 6.512 3.869 ( -0.241 -3.580 0.954) 3.713 3.984 ( 0.000 10.508 -0.000) 10.508 4.010 ( 0.000 -2.893 0.000) 2.893 4.131 ( 0.000 9.599 0.000) 9.599 4.176 ( 0.000 -7.791 0.000) 7.791 4.342 ( 0.000 5.590 0.000) 5.590 4.406 ( 0.000 -5.337 -0.000) 5.337 4.418 ( -0.000 5.961 0.000) 5.961 4.498 ( 0.000 10.641 -0.000) 10.641 4.703 ( 0.000 -2.713 0.000) 2.713 4.706 ( -0.000 3.820 -0.000) 3.820 4.835 ( -0.000 -9.844 0.000) 9.844 4.848 ( 0.000 -16.079 0.000) 16.079 4.913 ( 0.000 1.983 0.000) 1.983 4.957 ( 0.000 -1.912 0.000) 1.912 5.082 ( 0.000 1.815 0.000) 1.815 5.232 ( 0.000 -8.106 0.000) 8.106 5.250 ( -0.000 2.190 0.000) 2.190 5.287 ( 0.000 -13.178 0.000) 13.178 5.368 ( -0.000 -11.716 -0.000) 11.716 5.376 ( 0.000 -4.825 0.000) 4.825 5.492 ( -0.000 -2.759 -0.000) 2.759 5.503 ( 0.000 6.200 0.000) 6.200 5.548 ( 0.000 1.285 0.000) 1.285 5.604 ( 0.000 -2.586 0.000) 2.586 5.682 ( -0.000 3.332 -0.000) 3.332 5.767 ( 0.000 -4.254 -0.000) 4.254 5.829 ( 0.000 6.083 0.000) 6.083 5.864 ( 0.000 -6.548 0.000) 6.548 5.880 ( 0.000 4.867 0.000) 4.867 6.030 ( 0.000 4.991 -0.000) 4.991 6.129 ( -0.000 1.192 0.000) 1.192 6.144 ( 0.000 -1.248 0.000) 1.248 6.270 ( 0.000 -6.925 0.000) 6.925 6.361 ( 0.000 9.193 0.000) 9.193 6.383 ( 0.000 3.301 -0.000) 3.301 6.446 ( -0.000 -6.173 0.000) 6.173 6.576 ( 0.000 -6.426 -0.000) 6.426 6.638 ( -0.000 -3.675 0.000) 3.675 6.705 ( 0.000 7.184 0.000) 7.184 6.729 ( 0.000 -9.874 -0.000) 9.874 6.758 ( 0.000 -1.097 0.000) 1.097 6.848 ( 0.000 -3.297 0.000) 3.297 7.065 ( -0.000 7.664 0.000) 7.664 7.085 ( 0.000 -6.013 0.000) 6.013 7.165 ( -0.000 -1.572 0.000) 1.572 7.178 ( 0.000 1.473 0.000) 1.473 7.216 ( 0.000 -1.808 0.000) 1.808 7.339 ( -0.000 3.474 0.000) 3.474 7.339 ( 0.000 7.785 -0.000) 7.785 7.440 ( 0.000 -5.664 -0.000) 5.664 7.503 ( 0.000 13.157 0.000) 13.157 7.548 ( 0.000 -13.105 0.000) 13.105 7.552 ( 0.000 2.420 0.000) 2.420 7.623 ( 0.000 0.334 0.000) 0.334 7.807 ( 0.000 -8.486 -0.000) 8.486 7.993 ( 0.000 6.007 0.000) 6.007 8.045 ( 0.000 -5.450 -0.000) 5.450 8.144 ( 0.000 -2.201 0.000) 2.201 8.224 ( 0.000 -7.970 0.000) 7.970 8.245 ( 0.000 -0.551 -0.000) 0.551 8.299 ( 0.000 -11.018 0.000) 11.018 8.347 ( -0.000 1.834 -0.000) 1.834 8.422 ( 0.000 -0.886 0.000) 0.886 8.473 ( -0.000 8.748 0.000) 8.748 8.634 ( 0.000 -4.006 0.000) 4.006 8.795 ( 0.000 -5.257 0.000) 5.257 8.806 ( 0.000 -0.641 0.000) 0.641 8.865 ( 0.000 6.624 0.000) 6.624 8.977 ( 0.000 -2.172 0.000) 2.172 9.049 ( -0.000 0.525 0.000) 0.525 9.177 ( 0.000 10.721 0.000) 10.721 9.210 ( -0.000 -3.074 0.000) 3.074 9.279 ( 0.000 3.530 0.000) 3.530 9.415 ( 0.000 -2.274 -0.000) 2.274 9.495 ( 0.000 11.173 0.000) 11.173 9.497 ( -0.000 -7.346 0.000) 7.346 9.610 ( 0.000 0.154 0.000) 0.154 9.750 ( -0.000 -4.954 -0.000) 4.954 9.779 ( 0.000 2.252 0.000) 2.252 9.891 ( 0.000 1.016 0.000) 1.016 9.962 ( -0.000 4.534 0.000) 4.534 9.982 ( 0.000 8.349 -0.000) 8.349 10.070 ( 0.000 -2.336 0.000) 2.336 10.102 ( 0.000 -1.354 0.000) 1.354 10.183 ( 0.000 3.714 0.000) 3.714 10.295 ( -0.000 1.972 0.000) 1.972 10.410 ( 0.000 4.195 0.000) 4.195 10.516 ( 0.000 2.731 0.000) 2.731 10.558 ( 0.000 -1.741 0.000) 1.741 10.713 ( -0.000 9.994 0.000) 9.994 10.716 ( 0.000 -1.862 0.000) 1.862 10.968 ( -0.000 9.191 0.000) 9.191 10.994 ( 0.000 2.315 0.000) 2.315 11.176 ( 0.000 1.973 -0.000) 1.973 11.260 ( 0.000 0.145 0.000) 0.145 11.368 ( 0.000 -3.800 0.000) 3.800 11.405 ( 0.000 2.206 0.000) 2.206 11.658 ( 0.000 -3.618 0.000) 3.618 11.715 ( 0.000 -4.139 0.000) 4.139 11.757 ( 0.000 -2.363 0.000) 2.363 11.851 ( 0.000 -2.031 0.000) 2.031 12.105 ( 0.000 -2.218 -0.000) 2.218 12.170 ( 0.000 -2.737 0.000) 2.737 12.274 ( 0.000 -10.282 -0.000) 10.282 12.288 ( 0.000 -3.243 0.000) 3.243 12.340 ( 0.000 -8.979 0.000) 8.979 12.399 ( 0.000 1.500 0.000) 1.500 12.617 ( 0.000 -5.739 0.000) 5.739 12.715 ( 0.000 -11.768 0.000) 11.768 13.133 ( 0.000 -1.706 0.000) 1.706 13.202 ( 0.000 2.268 0.000) 2.268 13.211 ( -0.000 3.779 0.000) 3.779 13.268 ( 0.000 1.348 -0.000) 1.348 13.370 ( 0.000 6.672 0.000) 6.672 13.471 ( -0.000 13.111 0.000) 13.111 13.520 ( 0.000 5.720 -0.000) 5.720 13.554 ( 0.000 7.370 -0.000) 7.370 13.589 ( 0.000 10.006 0.000) 10.006 13.673 ( 0.000 7.042 0.000) 7.042 13.779 ( 0.000 0.710 0.000) 0.710 13.856 ( 0.000 2.115 0.000) 2.115 14.614 ( 0.000 -4.276 0.000) 4.276 14.621 ( -0.000 -4.345 -0.000) 4.345 14.648 ( 0.000 -1.041 0.000) 1.041 14.725 ( 0.000 -1.976 0.000) 1.976 14.948 ( 0.000 1.213 0.000) 1.213 14.954 ( 0.000 2.011 0.000) 2.011 15.235 ( 0.000 -1.704 0.000) 1.704 15.429 ( 0.000 1.684 0.000) 1.684 15.752 ( -0.000 -9.749 0.000) 9.749 15.881 ( 0.000 -3.527 0.000) 3.527 16.170 ( 0.000 1.426 0.000) 1.426 16.277 ( 0.000 -7.570 0.000) 7.570 17.678 ( 0.000 3.129 0.000) 3.129 17.920 ( 0.000 0.751 0.000) 0.751 18.011 ( -0.000 0.802 0.000) 0.802 18.082 ( 0.000 1.034 0.000) 1.034 18.153 ( 0.000 0.423 0.000) 0.423 18.208 ( 0.000 5.426 0.000) 5.426 18.283 ( 0.000 -4.266 0.000) 4.266 18.436 ( 0.000 3.280 0.000) 3.280 18.564 ( 0.000 -2.935 0.000) 2.935 18.661 ( 0.000 -3.111 0.000) 3.111 18.924 ( 0.000 2.330 0.000) 2.330 18.953 ( -0.000 6.752 0.000) 6.752 21.296 ( 0.000 1.295 -0.000) 1.295 21.305 ( 0.000 -2.159 0.000) 2.159 21.494 ( 0.000 -0.580 0.000) 0.580 21.716 ( 0.000 1.500 0.000) 1.500 22.608 ( 0.000 -2.394 0.000) 2.394 22.738 ( 0.000 1.093 0.000) 1.093 22.884 ( 0.000 -1.618 0.000) 1.618 22.983 ( 0.000 -3.184 0.000) 3.184 23.052 ( 0.000 -0.976 0.000) 0.976 23.131 ( 0.000 -0.162 0.000) 0.162 23.217 ( 0.000 -3.625 0.000) 3.625 23.273 ( 0.000 -3.172 0.000) 3.172 ======================= Grid point 14 (9/70) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 0.000 32.514 0.000) 32.514 1.483 ( 0.000 32.318 0.000) 32.318 1.991 ( 0.000 3.598 0.000) 3.598 2.438 ( 0.000 -0.462 0.000) 0.462 2.565 ( 0.000 -3.058 0.000) 3.058 2.661 ( 0.000 7.120 0.000) 7.120 2.705 ( 0.000 6.215 0.000) 6.215 2.731 ( 0.000 9.244 0.000) 9.244 2.779 ( 0.000 4.530 0.000) 4.530 2.916 ( 0.000 39.349 0.000) 39.349 3.032 ( 0.000 -2.443 0.000) 2.443 3.093 ( 0.000 20.275 0.000) 20.275 3.157 ( 0.000 0.084 0.000) 0.084 3.185 ( 0.000 5.180 0.000) 5.180 3.347 ( 0.000 2.075 0.000) 2.075 3.390 ( 0.000 -2.829 0.000) 2.829 3.471 ( 0.000 0.956 0.000) 0.956 3.525 ( 0.000 -6.484 0.000) 6.484 3.691 ( 0.000 -7.008 0.000) 7.008 3.705 ( 0.000 1.247 0.000) 1.247 3.770 ( 0.000 1.003 0.000) 1.003 3.835 ( 0.000 -5.380 0.000) 5.380 3.854 ( 0.000 -7.916 0.000) 7.916 3.942 ( 0.000 -3.736 0.000) 3.736 3.995 ( 0.000 3.536 0.000) 3.536 4.127 ( 0.000 1.311 0.000) 1.311 4.157 ( 0.000 -7.745 0.000) 7.745 4.302 ( 0.000 -18.532 0.000) 18.532 4.347 ( 0.000 -1.460 0.000) 1.460 4.404 ( 0.000 -14.749 0.000) 14.749 4.468 ( 0.000 3.041 0.000) 3.041 4.514 ( 0.000 -0.445 0.000) 0.445 4.706 ( 0.000 -4.402 0.000) 4.402 4.747 ( 0.000 -5.652 0.000) 5.652 4.806 ( 0.000 -9.559 0.000) 9.559 4.812 ( 0.000 -0.486 0.000) 0.486 4.854 ( 0.000 4.124 0.000) 4.124 4.895 ( 0.000 0.920 0.000) 0.920 5.023 ( 0.000 -10.615 0.000) 10.615 5.104 ( 0.000 0.371 0.000) 0.371 5.129 ( 0.000 5.085 0.000) 5.085 5.310 ( 0.000 2.868 0.000) 2.868 5.392 ( 0.000 -3.984 0.000) 3.984 5.456 ( 0.000 1.251 0.000) 1.251 5.479 ( 0.000 -5.712 0.000) 5.712 5.562 ( 0.000 -3.638 0.000) 3.638 5.605 ( 0.000 -3.538 0.000) 3.538 5.686 ( 0.000 -6.527 0.000) 6.527 5.688 ( 0.000 2.580 0.000) 2.580 5.856 ( 0.000 -13.035 0.000) 13.035 5.953 ( 0.000 0.946 0.000) 0.946 6.008 ( 0.000 4.333 0.000) 4.333 6.080 ( 0.000 -4.567 0.000) 4.567 6.185 ( 0.000 0.292 0.000) 0.292 6.188 ( 0.000 -7.529 0.000) 7.529 6.243 ( 0.000 -0.348 0.000) 0.348 6.370 ( 0.000 -4.802 0.000) 4.802 6.422 ( 0.000 -2.076 0.000) 2.076 6.500 ( 0.000 -6.297 0.000) 6.297 6.644 ( 0.000 -3.099 0.000) 3.099 6.692 ( 0.000 0.680 0.000) 0.680 6.705 ( 0.000 6.459 0.000) 6.459 6.740 ( 0.000 3.496 0.000) 3.496 6.851 ( 0.000 5.057 0.000) 5.057 6.860 ( 0.000 -3.804 0.000) 3.804 7.030 ( 0.000 -10.348 0.000) 10.348 7.059 ( 0.000 3.556 0.000) 3.556 7.101 ( 0.000 -9.459 0.000) 9.459 7.159 ( 0.000 -13.947 0.000) 13.947 7.266 ( 0.000 8.411 0.000) 8.411 7.272 ( 0.000 -2.414 0.000) 2.414 7.324 ( 0.000 5.122 0.000) 5.122 7.382 ( 0.000 -0.742 0.000) 0.742 7.388 ( 0.000 -4.572 0.000) 4.572 7.603 ( 0.000 3.635 0.000) 3.635 7.608 ( 0.000 -1.531 0.000) 1.531 7.716 ( 0.000 1.199 0.000) 1.199 7.807 ( 0.000 -6.328 0.000) 6.328 7.853 ( 0.000 -5.518 0.000) 5.518 7.974 ( 0.000 -10.968 0.000) 10.968 8.042 ( 0.000 1.055 0.000) 1.055 8.159 ( 0.000 0.404 0.000) 0.404 8.195 ( 0.000 6.295 0.000) 6.295 8.236 ( 0.000 -1.596 0.000) 1.596 8.268 ( 0.000 4.317 0.000) 4.317 8.436 ( 0.000 -8.906 0.000) 8.906 8.519 ( 0.000 -2.694 0.000) 2.694 8.662 ( 0.000 -2.015 0.000) 2.015 8.704 ( 0.000 3.916 0.000) 3.916 8.889 ( 0.000 5.982 0.000) 5.982 8.906 ( 0.000 5.260 0.000) 5.260 8.993 ( 0.000 7.253 0.000) 7.253 9.075 ( 0.000 7.610 0.000) 7.610 9.100 ( 0.000 -16.875 0.000) 16.875 9.168 ( 0.000 5.041 0.000) 5.041 9.192 ( 0.000 7.381 0.000) 7.381 9.301 ( 0.000 4.433 0.000) 4.433 9.420 ( 0.000 5.149 0.000) 5.149 9.490 ( 0.000 -7.900 0.000) 7.900 9.498 ( 0.000 -5.451 0.000) 5.451 9.557 ( 0.000 9.209 0.000) 9.209 9.744 ( 0.000 8.668 0.000) 8.668 9.944 ( 0.000 5.353 0.000) 5.353 9.950 ( 0.000 9.880 0.000) 9.880 9.994 ( 0.000 8.947 0.000) 8.947 10.199 ( 0.000 12.634 0.000) 12.634 10.272 ( 0.000 2.879 0.000) 2.879 10.367 ( 0.000 9.095 0.000) 9.095 10.417 ( 0.000 -4.360 0.000) 4.360 10.468 ( 0.000 -3.925 0.000) 3.925 10.588 ( 0.000 -2.651 0.000) 2.651 10.666 ( 0.000 -3.104 0.000) 3.104 10.867 ( 0.000 11.034 0.000) 11.034 10.928 ( 0.000 1.133 0.000) 1.133 11.064 ( 0.000 -2.371 0.000) 2.371 11.066 ( 0.000 -10.099 0.000) 10.099 11.142 ( 0.000 10.166 0.000) 10.166 11.208 ( 0.000 -3.253 0.000) 3.253 11.334 ( 0.000 -7.176 0.000) 7.176 11.474 ( 0.000 0.766 0.000) 0.766 11.607 ( 0.000 -10.264 0.000) 10.264 11.621 ( 0.000 3.019 0.000) 3.019 11.712 ( 0.000 -9.739 0.000) 9.739 11.801 ( 0.000 -5.401 0.000) 5.401 11.814 ( 0.000 -2.475 0.000) 2.475 11.830 ( 0.000 -5.012 0.000) 5.012 12.216 ( 0.000 -4.390 0.000) 4.390 12.236 ( 0.000 -0.239 0.000) 0.239 12.404 ( 0.000 -5.872 0.000) 5.872 12.408 ( 0.000 -9.225 0.000) 9.225 12.551 ( 0.000 -11.005 0.000) 11.005 12.605 ( 0.000 -0.999 0.000) 0.999 12.971 ( 0.000 4.528 0.000) 4.528 13.219 ( 0.000 3.545 0.000) 3.545 13.256 ( 0.000 2.852 0.000) 2.852 13.412 ( 0.000 3.316 0.000) 3.316 13.523 ( 0.000 5.645 0.000) 5.645 13.594 ( 0.000 6.700 0.000) 6.700 13.671 ( 0.000 4.694 0.000) 4.694 13.694 ( 0.000 5.634 0.000) 5.634 13.781 ( 0.000 0.796 0.000) 0.796 13.803 ( 0.000 5.714 0.000) 5.714 13.878 ( 0.000 5.966 0.000) 5.966 13.938 ( 0.000 3.903 0.000) 3.903 14.362 ( 0.000 -0.529 0.000) 0.529 14.455 ( 0.000 2.582 0.000) 2.582 14.481 ( 0.000 1.225 0.000) 1.225 14.578 ( 0.000 -3.489 0.000) 3.489 14.985 ( 0.000 1.622 0.000) 1.622 15.043 ( 0.000 7.339 0.000) 7.339 15.242 ( 0.000 -0.693 0.000) 0.693 15.382 ( 0.000 -5.013 0.000) 5.013 15.441 ( 0.000 3.962 0.000) 3.962 15.739 ( 0.000 -7.455 0.000) 7.455 16.173 ( 0.000 -7.640 0.000) 7.640 16.752 ( 0.000 -31.938 0.000) 31.938 17.750 ( 0.000 3.669 0.000) 3.669 17.851 ( 0.000 5.917 0.000) 5.917 17.885 ( 0.000 4.281 0.000) 4.281 17.925 ( 0.000 2.845 0.000) 2.845 18.179 ( 0.000 3.766 0.000) 3.766 18.210 ( 0.000 4.189 0.000) 4.189 18.454 ( 0.000 6.809 0.000) 6.809 18.460 ( 0.000 2.536 0.000) 2.536 18.713 ( 0.000 4.850 0.000) 4.850 18.767 ( 0.000 2.164 0.000) 2.164 18.964 ( 0.000 -1.609 0.000) 1.609 19.123 ( 0.000 -3.739 0.000) 3.739 20.942 ( 0.000 0.205 0.000) 0.205 21.293 ( 0.000 4.867 0.000) 4.867 21.578 ( 0.000 1.754 0.000) 1.754 22.020 ( 0.000 -8.283 0.000) 8.283 22.682 ( 0.000 -0.779 0.000) 0.779 22.790 ( 0.000 -1.679 0.000) 1.679 22.826 ( 0.000 -0.844 0.000) 0.844 22.869 ( 0.000 -0.593 0.000) 0.593 22.956 ( 0.000 -1.153 0.000) 1.153 23.025 ( 0.000 -4.269 0.000) 4.269 23.086 ( 0.000 -5.670 0.000) 5.670 23.231 ( 0.000 -4.249 0.000) 4.249 ======================= Grid point 15 (10/70) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 10.000 28.758 4.620) 30.796 1.718 ( 21.663 23.914 13.048) 34.805 1.956 ( -3.686 1.634 -3.268) 5.191 2.293 ( -7.274 4.407 -2.360) 8.826 2.508 ( -4.557 -0.283 -2.514) 5.212 2.574 ( -5.163 6.209 -2.535) 8.464 2.672 ( -1.181 6.506 -2.141) 6.950 2.737 ( -1.464 0.693 -0.321) 1.651 2.856 ( 3.524 4.802 4.066) 7.212 2.938 ( -0.142 17.202 0.647) 17.215 3.014 ( -1.912 1.098 1.599) 2.724 3.128 ( 1.298 20.829 3.813) 21.215 3.178 ( -1.920 6.824 -1.058) 7.168 3.223 ( 2.272 5.277 -1.345) 5.901 3.308 ( -2.863 3.924 2.893) 5.654 3.331 ( -4.341 -0.996 3.909) 5.926 3.487 ( -2.995 0.834 1.042) 3.279 3.567 ( 3.709 -4.932 -2.166) 6.540 3.616 ( 1.936 -3.839 -2.928) 5.202 3.698 ( -8.756 0.975 1.048) 8.872 3.712 ( 0.115 -6.670 -2.921) 7.282 3.818 ( 1.748 -0.298 -0.837) 1.960 3.879 ( 2.792 -1.860 1.599) 3.717 3.979 ( -8.455 -0.555 0.703) 8.502 4.016 ( 5.117 -0.331 -0.775) 5.186 4.035 ( 1.804 -2.621 -3.906) 5.038 4.153 ( 1.200 0.511 0.116) 1.310 4.236 ( -0.767 -15.132 -3.559) 15.563 4.307 ( -0.243 0.467 1.333) 1.433 4.384 ( 4.143 -3.582 -3.518) 6.510 4.489 ( -4.367 -6.327 -6.316) 9.950 4.563 ( 3.567 -4.027 -2.816) 6.072 4.698 ( -1.871 -9.493 1.234) 9.755 4.736 ( -1.494 -8.904 -4.535) 10.103 4.793 ( 2.220 -8.213 5.778) 10.284 4.826 ( 1.893 -0.742 -0.912) 2.228 4.950 ( 5.650 2.724 1.846) 6.539 4.995 ( 5.395 -0.986 5.441) 7.725 5.118 ( 7.299 3.830 0.850) 8.287 5.175 ( 0.328 1.082 -4.555) 4.693 5.196 ( 3.166 1.771 7.024) 7.906 5.282 ( 3.680 0.895 -7.034) 7.989 5.350 ( -0.147 -8.106 -3.043) 8.660 5.384 ( -3.600 -5.882 -2.709) 7.409 5.473 ( 3.892 -1.597 7.657) 8.736 5.556 ( -1.261 -1.727 -0.026) 2.138 5.588 ( -0.181 -0.609 -1.021) 1.203 5.662 ( -5.754 -6.553 4.051) 9.615 5.801 ( 6.615 -3.273 -5.283) 9.077 5.858 ( -1.717 -13.165 0.538) 13.287 5.908 ( -0.500 -4.584 -1.065) 4.732 5.969 ( -0.610 -5.301 -6.147) 8.140 6.075 ( -0.879 5.362 4.134) 6.827 6.155 ( -6.555 -2.577 0.414) 7.056 6.186 ( -1.462 -3.525 -5.500) 6.695 6.281 ( 3.159 -1.561 0.009) 3.523 6.295 ( 0.803 3.072 7.679) 8.310 6.443 ( -4.106 -2.251 2.636) 5.373 6.504 ( -5.016 2.380 0.695) 5.595 6.546 ( -1.938 -2.024 -5.242) 5.944 6.603 ( -7.432 -2.968 0.996) 8.064 6.751 ( -4.045 6.772 0.337) 7.895 6.783 ( -5.489 1.724 3.451) 6.710 6.821 ( 4.447 -4.669 -1.518) 6.624 6.906 ( -3.058 -6.427 -3.021) 7.732 6.947 ( 0.839 -2.671 -3.381) 4.390 6.970 ( 0.133 -4.176 6.805) 7.985 7.086 ( -5.417 1.174 -2.209) 5.967 7.120 ( 2.349 4.816 2.141) 5.770 7.219 ( -2.309 2.355 4.448) 5.537 7.278 ( 4.956 -0.701 -1.165) 5.139 7.335 ( 1.354 -0.187 -1.531) 2.053 7.406 ( -1.620 -4.646 3.640) 6.120 7.521 ( -2.438 -1.379 -1.490) 3.173 7.590 ( -2.200 -3.892 -1.960) 4.881 7.639 ( -5.164 -1.796 -0.939) 5.547 7.685 ( 7.658 -3.312 7.226) 11.038 7.827 ( 1.191 -1.339 -5.826) 6.095 7.913 ( 3.446 -8.409 2.473) 9.418 8.023 ( 6.743 0.417 -3.017) 7.398 8.051 ( 3.162 -4.010 0.093) 5.108 8.134 ( -3.106 4.327 -0.222) 5.331 8.196 ( -2.691 -2.512 2.323) 4.353 8.249 ( 4.515 -0.633 -4.053) 6.100 8.376 ( 2.073 7.437 -0.366) 7.729 8.414 ( 4.110 -1.270 1.729) 4.636 8.485 ( -2.140 3.849 -0.954) 4.506 8.560 ( -2.062 -4.566 -3.164) 5.925 8.713 ( 2.610 3.263 -1.098) 4.320 8.803 ( -3.458 1.323 -1.602) 4.034 8.886 ( -1.771 0.203 -0.767) 1.941 8.944 ( -2.436 -5.930 -2.828) 7.007 9.085 ( 2.934 1.250 -3.111) 4.455 9.162 ( 3.274 -0.831 3.147) 4.616 9.171 ( 3.952 6.520 -6.535) 10.042 9.233 ( 0.479 -3.131 1.502) 3.506 9.331 ( 0.160 8.216 -1.842) 8.422 9.423 ( -2.434 1.119 3.901) 4.732 9.469 ( 4.740 3.758 -2.240) 6.451 9.486 ( -3.469 -2.406 1.675) 4.542 9.611 ( 5.507 1.777 2.938) 6.490 9.786 ( -2.721 4.961 5.981) 8.233 9.930 ( 0.503 6.267 9.485) 11.380 10.032 ( 6.044 7.370 -3.420) 10.127 10.077 ( 3.432 3.528 -1.306) 5.093 10.190 ( -5.832 -1.019 -2.173) 6.306 10.249 ( 0.036 9.560 1.101) 9.624 10.304 ( -6.516 7.338 1.963) 10.008 10.396 ( -1.668 2.390 3.647) 4.668 10.450 ( 0.485 -1.440 -5.204) 5.421 10.557 ( -1.813 -2.259 -2.154) 3.610 10.664 ( 3.822 2.313 1.051) 4.589 10.906 ( 2.599 9.439 -2.378) 10.075 10.914 ( -1.102 4.001 2.120) 4.661 10.991 ( -9.286 -1.756 -6.445) 11.439 11.040 ( 1.283 -3.250 -1.743) 3.904 11.177 ( 2.473 -5.304 1.690) 6.092 11.266 ( 5.395 1.115 5.100) 7.507 11.392 ( 0.581 -6.599 4.552) 8.037 11.487 ( -0.906 2.110 3.191) 3.931 11.532 ( -5.522 -1.250 0.630) 5.697 11.672 ( -0.137 -2.617 -0.467) 2.662 11.747 ( 0.478 -5.902 1.852) 6.204 11.762 ( 2.428 -3.355 -3.322) 5.309 11.837 ( 3.870 -6.098 0.316) 7.229 11.874 ( 3.983 -6.736 -0.546) 7.844 12.169 ( -1.171 -3.978 -5.374) 6.788 12.240 ( 1.144 -1.478 -1.317) 2.286 12.325 ( -6.060 -7.008 2.162) 9.514 12.425 ( -2.159 -5.278 1.104) 5.808 12.558 ( 0.085 -10.052 -0.242) 10.055 12.559 ( -3.798 -4.054 -0.545) 5.582 12.988 ( 3.257 4.681 -0.683) 5.744 13.202 ( -1.276 3.061 0.530) 3.358 13.320 ( 1.770 3.834 4.283) 6.015 13.364 ( -2.370 5.685 -0.839) 6.216 13.530 ( -0.912 6.886 0.278) 6.952 13.567 ( 1.612 4.706 -4.998) 7.052 13.646 ( 0.343 3.770 1.195) 3.970 13.709 ( 1.598 7.983 -1.576) 8.292 13.778 ( -0.885 1.955 -0.645) 2.241 13.833 ( 2.209 5.445 1.899) 6.175 13.860 ( -0.822 6.684 -1.982) 7.020 13.925 ( -0.959 4.194 -1.170) 4.459 14.450 ( 7.096 -3.389 -0.176) 7.866 14.481 ( 2.376 0.274 -1.029) 2.604 14.512 ( 3.184 1.222 0.770) 3.497 14.612 ( 3.501 -4.361 -0.176) 5.595 14.987 ( 0.273 2.186 -0.582) 2.278 15.038 ( 2.160 5.395 -3.188) 6.628 15.244 ( -0.037 -1.166 -0.582) 1.304 15.369 ( -0.621 -2.707 1.928) 3.381 15.550 ( 8.096 3.511 2.768) 9.249 15.692 ( 1.223 -0.970 -9.667) 9.792 16.069 ( -14.619 -13.917 9.007) 22.103 16.686 ( -9.492 -25.248 0.577) 26.979 17.731 ( 1.863 4.071 -0.375) 4.493 17.856 ( -0.712 4.824 0.907) 4.960 17.933 ( 3.354 3.166 -0.022) 4.613 17.973 ( 4.543 1.439 1.079) 4.886 18.126 ( -2.623 2.263 -0.503) 3.500 18.271 ( 4.233 6.111 -0.150) 7.436 18.360 ( -3.955 4.357 -2.014) 6.220 18.494 ( 0.225 3.699 -1.086) 3.862 18.689 ( -4.166 2.749 0.638) 5.032 18.765 ( -1.354 1.437 0.761) 2.116 18.949 ( -1.541 1.461 2.008) 2.922 19.082 ( -2.339 -3.179 -2.095) 4.468 21.049 ( 5.976 0.107 7.704) 9.751 21.278 ( -3.253 3.380 2.564) 5.346 21.518 ( 0.280 1.117 -8.525) 8.603 21.943 ( -1.899 -4.083 -8.446) 9.572 22.690 ( -0.678 -1.543 2.583) 3.084 22.706 ( -3.098 -1.252 -1.310) 3.589 22.879 ( -0.894 -1.519 -0.095) 1.765 22.883 ( 1.604 -0.911 0.939) 2.070 22.987 ( 3.763 -3.773 2.069) 5.716 23.031 ( -4.342 -4.900 -0.348) 6.556 23.128 ( 2.780 -3.742 5.155) 6.950 23.222 ( 0.181 -4.534 -1.696) 4.844 ======================= Grid point 16 (11/70) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 0.025 1.361 -5.109) 5.287 1.904 ( 16.053 18.072 5.671) 24.829 2.150 ( 11.718 15.359 2.446) 19.473 2.247 ( -5.532 9.308 9.112) 14.151 2.408 ( 3.892 4.620 -4.191) 7.352 2.523 ( -0.447 0.674 -0.044) 0.810 2.644 ( 2.211 3.780 -3.563) 5.646 2.683 ( -7.351 3.948 2.651) 8.755 2.805 ( -5.421 0.488 -8.868) 10.406 2.888 ( -6.787 2.492 1.204) 7.329 2.967 ( -4.083 5.953 -2.560) 7.659 3.027 ( -0.069 7.985 -11.669) 14.139 3.141 ( -5.141 3.827 1.500) 6.583 3.260 ( -7.458 2.178 8.577) 11.573 3.337 ( -1.959 -1.959 4.789) 5.533 3.345 ( -2.250 -1.090 4.996) 5.587 3.404 ( -6.134 -2.949 2.561) 7.272 3.590 ( 1.317 2.349 5.253) 5.903 3.639 ( 1.408 -1.334 1.060) 2.210 3.710 ( 4.965 -5.846 -4.710) 9.000 3.746 ( 2.662 1.910 1.576) 3.636 3.773 ( -0.369 4.356 -0.442) 4.394 3.880 ( 5.475 4.061 3.709) 7.761 3.997 ( 3.566 2.950 -1.542) 4.878 4.053 ( 2.299 4.594 0.838) 5.205 4.140 ( 0.524 -5.684 -1.602) 5.929 4.189 ( 3.659 -3.958 -1.215) 5.526 4.239 ( 10.342 1.267 5.650) 11.852 4.287 ( -1.455 1.017 -11.239) 11.378 4.417 ( -2.211 -14.565 0.623) 14.745 4.475 ( 5.101 -7.214 -3.130) 9.373 4.527 ( 11.037 -7.012 -2.476) 13.308 4.626 ( -3.253 -9.296 -1.677) 9.991 4.715 ( 2.777 -4.799 -4.508) 7.146 4.763 ( -0.809 -6.646 -4.880) 8.285 4.916 ( -0.128 3.108 -1.318) 3.378 4.977 ( -0.183 -0.058 -1.503) 1.515 5.027 ( -2.039 3.178 3.190) 4.943 5.106 ( -2.663 -6.374 1.672) 7.108 5.186 ( -9.226 -1.644 -4.144) 10.247 5.291 ( -2.045 -0.466 8.771) 9.018 5.312 ( -0.541 -0.422 -4.016) 4.074 5.397 ( 3.814 1.800 9.575) 10.463 5.439 ( 8.529 0.980 3.226) 9.171 5.451 ( 3.305 -3.648 -1.114) 5.047 5.566 ( -0.295 -4.635 -11.920) 12.793 5.588 ( -1.840 -4.025 4.694) 6.452 5.647 ( -1.508 0.305 8.224) 8.366 5.754 ( -0.145 -9.719 2.802) 10.115 5.825 ( -8.553 -4.871 -4.262) 10.726 5.916 ( 1.632 3.210 -6.040) 7.032 5.970 ( 2.670 -2.001 2.313) 4.059 6.010 ( -9.301 0.139 -2.809) 9.717 6.139 ( 0.483 1.604 3.471) 3.854 6.156 ( 2.774 0.089 0.778) 2.882 6.236 ( -3.709 -0.804 0.912) 3.903 6.302 ( -2.382 -2.950 -6.670) 7.673 6.398 ( 3.658 -0.443 -2.553) 4.483 6.444 ( -1.419 1.766 4.470) 5.012 6.503 ( -0.603 0.123 2.947) 3.011 6.613 ( 2.329 -6.804 1.199) 7.291 6.671 ( -2.489 -3.367 -8.765) 9.713 6.720 ( -7.063 3.885 1.466) 8.193 6.772 ( -3.753 -5.414 -3.026) 7.249 6.819 ( -1.260 -3.958 3.648) 5.528 6.977 ( 6.950 -2.058 3.249) 7.943 7.007 ( -8.477 2.616 3.335) 9.478 7.088 ( 0.820 2.326 -2.345) 3.403 7.136 ( 3.854 1.791 5.597) 7.028 7.266 ( 1.971 1.376 -3.270) 4.058 7.312 ( -1.805 -5.043 -0.015) 5.357 7.396 ( 0.237 -3.816 7.782) 8.670 7.441 ( -5.566 -0.032 -1.450) 5.752 7.483 ( -4.370 -3.658 0.056) 5.699 7.509 ( 1.753 -2.940 -4.410) 5.583 7.662 ( 5.700 0.278 6.351) 8.538 7.696 ( -3.476 1.197 3.899) 5.359 7.745 ( -1.603 -0.543 -0.084) 1.694 7.944 ( 0.558 -10.991 -7.796) 13.487 8.005 ( -4.548 -3.548 -1.117) 5.875 8.085 ( 6.730 1.879 -10.122) 12.300 8.127 ( -0.857 -0.137 0.246) 0.902 8.183 ( 3.821 3.486 -0.300) 5.181 8.300 ( 0.351 2.897 1.401) 3.237 8.359 ( 0.654 0.755 -1.902) 2.148 8.409 ( 0.048 -1.428 -0.313) 1.462 8.555 ( 3.212 -0.476 4.886) 5.866 8.634 ( 6.158 4.654 -2.874) 8.237 8.706 ( -8.454 -5.690 -4.052) 10.966 8.770 ( 3.796 3.479 -3.917) 6.470 8.833 ( 2.939 3.310 5.249) 6.866 9.001 ( 4.826 -6.099 6.635) 10.224 9.048 ( -1.177 -1.781 -7.628) 7.921 9.136 ( 0.598 -0.279 -2.943) 3.016 9.220 ( -2.077 -4.391 1.055) 4.971 9.253 ( -0.156 1.825 2.993) 3.509 9.361 ( 6.932 0.874 0.411) 6.999 9.390 ( 0.048 -3.122 -3.170) 4.450 9.500 ( 3.234 0.053 6.065) 6.873 9.622 ( 2.071 -0.362 8.033) 8.303 9.741 ( 0.293 9.068 -0.737) 9.103 9.794 ( 2.836 2.661 1.897) 4.327 9.956 ( -5.249 -1.971 0.667) 5.646 10.010 ( -5.955 -4.422 0.074) 7.418 10.103 ( 0.707 5.867 -4.098) 7.191 10.142 ( -0.376 2.760 2.593) 3.805 10.147 ( -1.264 8.744 0.802) 8.871 10.238 ( -1.084 5.240 -3.856) 6.595 10.397 ( 2.480 8.627 0.088) 8.977 10.498 ( 1.851 0.357 -2.025) 2.766 10.561 ( -0.718 4.393 3.237) 5.504 10.672 ( -3.907 2.133 -2.341) 5.029 10.753 ( -4.329 5.128 -4.049) 7.838 10.933 ( 2.773 7.449 2.444) 8.316 10.976 ( 3.089 3.875 0.975) 5.050 11.069 ( 4.087 -2.364 -1.209) 4.874 11.221 ( 1.018 -7.973 -0.724) 8.071 11.294 ( -4.621 1.179 -3.747) 6.065 11.371 ( -5.069 -0.198 0.453) 5.093 11.482 ( -3.039 4.546 3.798) 6.658 11.548 ( 0.872 -3.235 5.656) 6.574 11.634 ( -1.397 -1.548 0.385) 2.120 11.734 ( 0.123 -0.137 -3.756) 3.760 11.806 ( 1.297 -2.602 1.104) 3.109 11.938 ( 5.798 -5.975 1.270) 8.422 11.951 ( 6.247 -11.511 -1.556) 13.189 12.115 ( -0.059 -4.919 0.062) 4.920 12.221 ( -2.931 -5.092 -1.831) 6.154 12.285 ( -0.543 -2.158 0.577) 2.299 12.381 ( -2.674 -2.337 2.177) 4.166 12.476 ( -2.916 -6.957 -2.202) 7.859 12.546 ( -2.143 -10.294 -0.470) 10.525 13.076 ( 5.096 3.459 2.342) 6.589 13.201 ( 0.815 2.739 0.796) 2.966 13.326 ( -0.746 6.386 0.471) 6.447 13.375 ( -2.865 3.852 1.977) 5.192 13.494 ( 0.515 6.782 -1.202) 6.907 13.585 ( 3.199 2.544 -1.805) 4.468 13.689 ( 1.353 5.540 1.710) 5.954 13.720 ( 1.752 6.409 -1.350) 6.780 13.756 ( -1.794 6.099 1.198) 6.469 13.815 ( -0.414 6.160 -3.151) 6.932 13.876 ( -1.055 1.886 -1.061) 2.407 13.894 ( 1.581 7.642 -0.516) 7.821 14.504 ( 3.307 -1.977 -2.746) 4.731 14.535 ( 2.595 -4.118 -0.581) 4.902 14.575 ( 2.820 -1.104 1.136) 3.235 14.655 ( 1.426 -4.075 -0.723) 4.377 14.996 ( 0.866 2.203 -2.483) 3.430 15.009 ( 1.081 1.820 -3.308) 3.927 15.224 ( -1.568 -0.790 -2.180) 2.799 15.408 ( 4.276 -1.267 -0.495) 4.487 15.590 ( 1.007 0.979 -5.905) 6.070 15.747 ( 3.472 -0.072 8.329) 9.024 15.985 ( -2.210 -11.364 4.446) 12.401 16.451 ( -18.370 -11.429 2.073) 21.734 17.762 ( 1.038 4.023 -1.438) 4.396 17.920 ( 5.516 2.439 1.904) 6.325 17.988 ( 4.751 3.060 -0.169) 5.654 18.040 ( -0.092 -0.594 2.398) 2.472 18.122 ( 3.912 -0.310 -1.280) 4.128 18.260 ( -6.083 4.120 1.825) 7.570 18.349 ( 3.786 5.986 -2.123) 7.394 18.463 ( -1.712 1.136 -0.951) 2.264 18.612 ( -4.328 -0.163 0.426) 4.352 18.696 ( -5.612 1.235 -0.576) 5.775 18.967 ( 0.564 2.816 -1.216) 3.119 19.049 ( -0.498 1.638 3.127) 3.565 21.236 ( 2.060 -0.764 6.389) 6.756 21.259 ( -2.487 -1.105 4.881) 5.588 21.453 ( 5.326 0.469 -7.776) 9.437 21.805 ( -2.648 -1.888 -7.935) 8.576 22.615 ( -4.249 -2.598 -2.472) 5.560 22.731 ( 0.970 -0.205 2.822) 2.991 22.838 ( -2.010 -3.466 0.597) 4.051 22.928 ( -2.507 -4.136 -0.004) 4.837 22.992 ( 3.033 -0.703 1.002) 3.271 23.061 ( 4.430 -2.143 -1.085) 5.039 23.177 ( -2.859 -3.788 3.332) 5.798 23.204 ( -0.134 -4.361 -1.308) 4.554 ======================= Grid point 17 (12/70) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.000 -2.380 0.000) 2.380 2.195 ( 0.000 7.456 0.000) 7.456 2.225 ( 0.000 3.491 -0.000) 3.491 2.279 ( -0.000 11.750 0.000) 11.750 2.337 ( -0.000 14.606 0.000) 14.606 2.519 ( 0.000 8.404 0.000) 8.404 2.640 ( 0.000 6.828 0.000) 6.828 2.676 ( 0.000 4.432 0.000) 4.432 2.689 ( 0.000 1.754 -0.000) 1.754 2.806 ( 0.000 4.659 0.000) 4.659 2.885 ( 0.000 -0.002 0.000) 0.002 2.997 ( 0.000 6.882 0.000) 6.882 3.029 ( 0.000 1.829 0.000) 1.829 3.197 ( 0.000 1.921 0.000) 1.921 3.308 ( 0.000 -5.337 0.000) 5.337 3.370 ( 0.000 -4.213 0.000) 4.213 3.417 ( 0.000 -6.240 0.000) 6.240 3.644 ( 0.000 2.309 0.000) 2.309 3.656 ( 0.000 -1.814 0.000) 1.814 3.721 ( -0.000 0.596 0.000) 0.596 3.773 ( -0.000 3.242 0.000) 3.242 3.786 ( 0.000 -6.720 -0.000) 6.720 3.952 ( 0.000 4.638 0.000) 4.638 4.078 ( 0.000 -0.233 0.000) 0.233 4.113 ( 0.000 10.417 0.000) 10.417 4.136 ( 0.000 -6.102 -0.000) 6.102 4.155 ( 0.000 4.438 0.000) 4.438 4.229 ( 0.000 -8.661 0.000) 8.661 4.357 ( 0.000 -21.441 0.000) 21.441 4.468 ( -0.000 -21.289 0.000) 21.289 4.470 ( 0.000 2.930 -0.000) 2.930 4.651 ( -0.000 3.414 0.000) 3.414 4.652 ( 0.000 -2.040 -0.000) 2.040 4.694 ( 0.000 0.525 0.000) 0.525 4.758 ( 0.000 3.276 -0.000) 3.276 4.902 ( -0.000 -4.356 0.000) 4.356 4.921 ( 0.000 2.805 -0.000) 2.805 5.026 ( 0.000 -0.811 0.000) 0.811 5.072 ( 0.000 -0.973 0.000) 0.973 5.090 ( -0.000 -8.009 0.000) 8.009 5.161 ( 0.000 2.097 0.000) 2.097 5.371 ( 0.000 5.038 0.000) 5.038 5.453 ( 0.000 3.443 0.000) 3.443 5.459 ( -0.000 -10.612 0.000) 10.612 5.484 ( 0.000 -5.706 -0.000) 5.706 5.614 ( 0.000 6.377 -0.000) 6.377 5.650 ( 0.000 -9.916 0.000) 9.916 5.700 ( 0.000 -2.191 0.000) 2.191 5.740 ( 0.000 10.511 -0.000) 10.511 5.777 ( -0.000 0.147 -0.000) 0.147 5.784 ( 0.000 1.681 0.000) 1.681 5.826 ( 0.000 -4.879 0.000) 4.879 6.069 ( 0.000 -3.932 0.000) 3.932 6.124 ( 0.000 2.331 0.000) 2.331 6.176 ( 0.000 -2.703 0.000) 2.703 6.199 ( 0.000 -0.942 -0.000) 0.942 6.319 ( 0.000 0.728 -0.000) 0.728 6.376 ( 0.000 0.986 0.000) 0.986 6.465 ( 0.000 1.753 -0.000) 1.753 6.543 ( 0.000 -6.523 0.000) 6.523 6.551 ( -0.000 -7.014 -0.000) 7.014 6.662 ( 0.000 7.874 -0.000) 7.874 6.704 ( 0.000 -1.532 0.000) 1.532 6.792 ( 0.000 -1.967 0.000) 1.967 6.816 ( -0.000 -1.466 0.000) 1.466 6.870 ( 0.000 -11.820 0.000) 11.820 7.077 ( 0.000 -7.010 0.000) 7.010 7.146 ( 0.000 -0.268 0.000) 0.268 7.211 ( 0.000 4.817 0.000) 4.817 7.232 ( 0.000 -12.271 0.000) 12.271 7.248 ( 0.000 3.512 0.000) 3.512 7.347 ( 0.000 -5.141 -0.000) 5.141 7.414 ( 0.000 2.966 0.000) 2.966 7.466 ( 0.000 8.507 0.000) 8.507 7.508 ( -0.000 -2.950 0.000) 2.950 7.606 ( 0.000 -7.988 0.000) 7.988 7.760 ( 0.000 7.463 -0.000) 7.463 7.814 ( 0.000 -11.045 0.000) 11.045 7.966 ( 0.000 19.334 -0.000) 19.334 7.996 ( 0.000 -8.667 0.000) 8.667 8.004 ( 0.000 -11.931 0.000) 11.931 8.127 ( 0.000 -2.724 0.000) 2.724 8.254 ( 0.000 7.444 0.000) 7.444 8.300 ( 0.000 4.695 0.000) 4.695 8.333 ( -0.000 -2.137 -0.000) 2.137 8.366 ( 0.000 -1.232 0.000) 1.232 8.568 ( 0.000 -0.792 0.000) 0.792 8.586 ( 0.000 -2.167 0.000) 2.167 8.729 ( -0.000 -2.431 0.000) 2.431 8.813 ( 0.000 1.566 0.000) 1.566 8.907 ( 0.000 -2.817 0.000) 2.817 9.009 ( -0.000 4.456 -0.000) 4.456 9.052 ( 0.000 2.511 0.000) 2.511 9.157 ( 0.000 -7.830 0.000) 7.830 9.161 ( -0.000 -1.518 -0.000) 1.518 9.290 ( 0.000 -8.387 0.000) 8.387 9.378 ( 0.000 -2.328 0.000) 2.328 9.455 ( -0.000 7.430 0.000) 7.430 9.603 ( 0.000 -2.054 -0.000) 2.054 9.605 ( -0.000 -6.547 0.000) 6.547 9.773 ( 0.000 3.016 0.000) 3.016 9.833 ( 0.000 -0.133 0.000) 0.133 9.869 ( 0.000 4.675 0.000) 4.675 10.012 ( 0.000 6.944 0.000) 6.944 10.027 ( -0.000 -7.789 0.000) 7.789 10.126 ( 0.000 4.052 -0.000) 4.052 10.166 ( -0.000 8.928 0.000) 8.928 10.243 ( 0.000 7.812 -0.000) 7.812 10.423 ( 0.000 0.668 0.000) 0.668 10.506 ( -0.000 14.403 0.000) 14.403 10.522 ( 0.000 1.160 0.000) 1.160 10.598 ( 0.000 2.313 -0.000) 2.313 10.748 ( 0.000 4.877 0.000) 4.877 10.981 ( 0.000 12.350 0.000) 12.350 11.027 ( 0.000 -0.462 0.000) 0.462 11.131 ( -0.000 0.032 0.000) 0.032 11.153 ( 0.000 -4.463 -0.000) 4.463 11.232 ( -0.000 -4.332 0.000) 4.332 11.323 ( 0.000 7.867 0.000) 7.867 11.446 ( 0.000 1.028 0.000) 1.028 11.635 ( 0.000 1.878 0.000) 1.878 11.643 ( -0.000 -3.028 -0.000) 3.028 11.657 ( 0.000 -6.753 0.000) 6.753 11.834 ( 0.000 -0.040 0.000) 0.040 12.004 ( 0.000 -14.301 0.000) 14.301 12.024 ( 0.000 -5.720 0.000) 5.720 12.116 ( 0.000 -1.406 0.000) 1.406 12.173 ( -0.000 -5.885 -0.000) 5.885 12.260 ( 0.000 0.458 0.000) 0.458 12.418 ( -0.000 -12.121 -0.000) 12.121 12.426 ( 0.000 0.992 0.000) 0.992 12.499 ( 0.000 -10.131 0.000) 10.131 13.143 ( 0.000 1.829 0.000) 1.829 13.254 ( 0.000 2.626 0.000) 2.626 13.287 ( -0.000 3.144 0.000) 3.144 13.355 ( 0.000 6.736 0.000) 6.736 13.499 ( 0.000 4.691 0.000) 4.691 13.607 ( 0.000 3.142 0.000) 3.142 13.701 ( -0.000 8.114 0.000) 8.114 13.737 ( 0.000 1.769 -0.000) 1.769 13.739 ( -0.000 9.390 0.000) 9.390 13.817 ( -0.000 6.500 -0.000) 6.500 13.828 ( 0.000 5.458 0.000) 5.458 13.914 ( 0.000 4.482 0.000) 4.482 14.520 ( 0.000 -4.284 0.000) 4.284 14.547 ( 0.000 -2.725 0.000) 2.725 14.621 ( -0.000 -1.565 -0.000) 1.565 14.648 ( 0.000 -4.705 0.000) 4.705 14.965 ( 0.000 0.250 0.000) 0.250 15.020 ( 0.000 4.247 0.000) 4.247 15.182 ( 0.000 -3.731 0.000) 3.731 15.442 ( 0.000 -0.559 0.000) 0.559 15.596 ( -0.000 -4.118 0.000) 4.118 15.789 ( 0.000 -4.923 0.000) 4.923 16.155 ( 0.000 -2.525 -0.000) 2.525 16.160 ( -0.000 -2.751 0.000) 2.751 17.758 ( 0.000 4.409 0.000) 4.409 17.966 ( 0.000 3.514 0.000) 3.514 18.044 ( -0.000 1.484 0.000) 1.484 18.102 ( -0.000 2.081 0.000) 2.081 18.173 ( -0.000 1.012 0.000) 1.012 18.179 ( 0.000 -4.628 -0.000) 4.628 18.360 ( 0.000 6.818 0.000) 6.818 18.435 ( 0.000 -1.590 0.000) 1.590 18.595 ( 0.000 -1.942 0.000) 1.942 18.618 ( -0.000 5.384 -0.000) 5.384 18.955 ( 0.000 0.685 0.000) 0.685 19.079 ( 0.000 5.691 0.000) 5.691 21.262 ( 0.000 -4.280 -0.000) 4.280 21.269 ( -0.000 -1.478 0.000) 1.478 21.509 ( 0.000 1.273 0.000) 1.273 21.711 ( 0.000 -2.333 0.000) 2.333 22.554 ( 0.000 -2.352 0.000) 2.352 22.760 ( 0.000 0.964 0.000) 0.964 22.824 ( 0.000 -4.224 0.000) 4.224 22.900 ( 0.000 -4.664 0.000) 4.664 23.037 ( 0.000 -0.426 0.000) 0.426 23.114 ( 0.000 -1.541 0.000) 1.541 23.141 ( 0.000 -3.462 0.000) 3.462 23.194 ( 0.000 -4.210 0.000) 4.210 ======================= Grid point 21 (13/70) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 0.000 16.780 0.000) 16.780 2.016 ( 0.000 25.099 0.000) 25.099 2.210 ( 0.000 18.734 0.000) 18.734 2.383 ( 0.000 -3.788 0.000) 3.788 2.419 ( 0.000 -7.887 0.000) 7.887 2.681 ( 0.000 -7.718 0.000) 7.718 2.754 ( 0.000 -3.903 0.000) 3.903 2.819 ( 0.000 9.821 0.000) 9.821 2.844 ( 0.000 2.208 0.000) 2.208 3.000 ( 0.000 -6.473 0.000) 6.473 3.074 ( 0.000 5.045 0.000) 5.045 3.224 ( 0.000 7.385 0.000) 7.385 3.243 ( 0.000 -5.922 0.000) 5.922 3.307 ( 0.000 6.741 0.000) 6.741 3.425 ( 0.000 -4.715 0.000) 4.715 3.428 ( 0.000 -1.134 0.000) 1.134 3.511 ( 0.000 -5.351 0.000) 5.351 3.587 ( 0.000 2.028 0.000) 2.028 3.627 ( 0.000 5.266 0.000) 5.266 3.682 ( 0.000 -0.247 0.000) 0.247 3.721 ( 0.000 -2.945 0.000) 2.945 3.743 ( 0.000 -0.786 0.000) 0.786 3.851 ( 0.000 -9.850 0.000) 9.850 3.939 ( 0.000 3.417 0.000) 3.417 4.014 ( 0.000 -8.190 0.000) 8.190 4.109 ( 0.000 2.288 0.000) 2.288 4.157 ( 0.000 -2.759 0.000) 2.759 4.220 ( 0.000 -15.815 0.000) 15.815 4.247 ( 0.000 27.703 0.000) 27.703 4.317 ( 0.000 5.541 0.000) 5.541 4.380 ( 0.000 -1.435 0.000) 1.435 4.469 ( 0.000 -6.304 0.000) 6.304 4.501 ( 0.000 -8.803 0.000) 8.803 4.610 ( 0.000 -9.152 0.000) 9.152 4.614 ( 0.000 0.208 0.000) 0.208 4.779 ( 0.000 -7.664 0.000) 7.664 4.814 ( 0.000 -1.453 0.000) 1.453 4.892 ( 0.000 -5.171 0.000) 5.171 5.025 ( 0.000 5.817 0.000) 5.817 5.178 ( 0.000 -1.150 0.000) 1.150 5.192 ( 0.000 7.531 0.000) 7.531 5.206 ( 0.000 -12.466 0.000) 12.466 5.340 ( 0.000 2.365 0.000) 2.365 5.474 ( 0.000 1.378 0.000) 1.378 5.500 ( 0.000 1.691 0.000) 1.691 5.573 ( 0.000 -5.592 0.000) 5.592 5.594 ( 0.000 4.964 0.000) 4.964 5.621 ( 0.000 4.340 0.000) 4.340 5.705 ( 0.000 3.967 0.000) 3.967 5.749 ( 0.000 5.065 0.000) 5.065 5.879 ( 0.000 -16.026 0.000) 16.026 5.889 ( 0.000 -7.058 0.000) 7.058 6.030 ( 0.000 -1.357 0.000) 1.357 6.086 ( 0.000 -1.645 0.000) 1.645 6.165 ( 0.000 -2.822 0.000) 2.822 6.275 ( 0.000 -6.882 0.000) 6.882 6.287 ( 0.000 -8.426 0.000) 8.426 6.359 ( 0.000 1.978 0.000) 1.978 6.394 ( 0.000 4.108 0.000) 4.108 6.566 ( 0.000 -9.336 0.000) 9.336 6.677 ( 0.000 -10.366 0.000) 10.366 6.692 ( 0.000 2.385 0.000) 2.385 6.744 ( 0.000 -2.592 0.000) 2.592 6.779 ( 0.000 -1.337 0.000) 1.337 6.838 ( 0.000 -8.124 0.000) 8.124 6.868 ( 0.000 2.105 0.000) 2.105 6.940 ( 0.000 3.068 0.000) 3.068 6.953 ( 0.000 -4.619 0.000) 4.619 7.214 ( 0.000 6.393 0.000) 6.393 7.251 ( 0.000 -1.210 0.000) 1.210 7.349 ( 0.000 4.549 0.000) 4.549 7.352 ( 0.000 1.360 0.000) 1.360 7.454 ( 0.000 4.812 0.000) 4.812 7.454 ( 0.000 0.773 0.000) 0.773 7.592 ( 0.000 -2.971 0.000) 2.971 7.665 ( 0.000 -2.995 0.000) 2.995 7.677 ( 0.000 -0.154 0.000) 0.154 7.700 ( 0.000 -4.011 0.000) 4.011 7.823 ( 0.000 4.220 0.000) 4.220 7.949 ( 0.000 6.869 0.000) 6.869 7.996 ( 0.000 -4.375 0.000) 4.375 8.181 ( 0.000 -1.444 0.000) 1.444 8.230 ( 0.000 3.712 0.000) 3.712 8.232 ( 0.000 -0.694 0.000) 0.694 8.297 ( 0.000 -7.095 0.000) 7.095 8.391 ( 0.000 1.188 0.000) 1.188 8.523 ( 0.000 -12.688 0.000) 12.688 8.536 ( 0.000 6.171 0.000) 6.171 8.742 ( 0.000 -1.048 0.000) 1.048 8.805 ( 0.000 -2.700 0.000) 2.700 8.926 ( 0.000 -2.385 0.000) 2.385 8.932 ( 0.000 -4.417 0.000) 4.417 9.077 ( 0.000 3.961 0.000) 3.961 9.119 ( 0.000 -1.836 0.000) 1.836 9.164 ( 0.000 -12.900 0.000) 12.900 9.330 ( 0.000 8.334 0.000) 8.334 9.343 ( 0.000 4.616 0.000) 4.616 9.390 ( 0.000 -1.793 0.000) 1.793 9.551 ( 0.000 6.889 0.000) 6.889 9.592 ( 0.000 11.531 0.000) 11.531 9.735 ( 0.000 8.444 0.000) 8.444 9.867 ( 0.000 0.644 0.000) 0.644 10.040 ( 0.000 4.636 0.000) 4.636 10.074 ( 0.000 -0.993 0.000) 0.993 10.123 ( 0.000 3.429 0.000) 3.429 10.273 ( 0.000 -4.164 0.000) 4.164 10.328 ( 0.000 3.440 0.000) 3.440 10.353 ( 0.000 0.111 0.000) 0.111 10.415 ( 0.000 0.530 0.000) 0.530 10.513 ( 0.000 -3.656 0.000) 3.656 10.589 ( 0.000 9.238 0.000) 9.238 10.727 ( 0.000 11.540 0.000) 11.540 10.825 ( 0.000 -9.650 0.000) 9.650 10.888 ( 0.000 -3.699 0.000) 3.699 11.058 ( 0.000 2.541 0.000) 2.541 11.103 ( 0.000 7.790 0.000) 7.790 11.177 ( 0.000 2.685 0.000) 2.685 11.186 ( 0.000 -7.350 0.000) 7.350 11.378 ( 0.000 2.745 0.000) 2.745 11.411 ( 0.000 -8.220 0.000) 8.220 11.522 ( 0.000 -8.962 0.000) 8.962 11.526 ( 0.000 9.300 0.000) 9.300 11.664 ( 0.000 -9.033 0.000) 9.033 11.733 ( 0.000 -3.759 0.000) 3.759 11.747 ( 0.000 0.582 0.000) 0.582 11.791 ( 0.000 9.110 0.000) 9.110 12.131 ( 0.000 -3.570 0.000) 3.570 12.205 ( 0.000 -3.987 0.000) 3.987 12.291 ( 0.000 -0.744 0.000) 0.744 12.293 ( 0.000 -7.935 0.000) 7.935 12.349 ( 0.000 -6.235 0.000) 6.235 12.561 ( 0.000 -4.410 0.000) 4.410 13.066 ( 0.000 5.016 0.000) 5.016 13.266 ( 0.000 1.647 0.000) 1.647 13.286 ( 0.000 0.101 0.000) 0.101 13.424 ( 0.000 -2.027 0.000) 2.027 13.610 ( 0.000 2.902 0.000) 2.902 13.710 ( 0.000 4.533 0.000) 4.533 13.738 ( 0.000 -1.472 0.000) 1.472 13.790 ( 0.000 1.123 0.000) 1.123 13.791 ( 0.000 6.427 0.000) 6.427 13.893 ( 0.000 2.902 0.000) 2.902 13.981 ( 0.000 3.968 0.000) 3.968 14.009 ( 0.000 2.865 0.000) 2.865 14.366 ( 0.000 0.997 0.000) 0.997 14.492 ( 0.000 -0.960 0.000) 0.960 14.520 ( 0.000 2.453 0.000) 2.453 14.534 ( 0.000 0.833 0.000) 0.833 15.011 ( 0.000 1.225 0.000) 1.225 15.203 ( 0.000 8.417 0.000) 8.417 15.231 ( 0.000 -4.289 0.000) 4.289 15.316 ( 0.000 2.370 0.000) 2.370 15.531 ( 0.000 4.462 0.000) 4.462 15.635 ( 0.000 -2.718 0.000) 2.718 15.997 ( 0.000 -9.489 0.000) 9.489 16.203 ( 0.000 -22.090 0.000) 22.090 17.844 ( 0.000 5.357 0.000) 5.357 17.951 ( 0.000 2.644 0.000) 2.644 17.972 ( 0.000 4.090 0.000) 4.090 17.996 ( 0.000 4.882 0.000) 4.882 18.292 ( 0.000 6.936 0.000) 6.936 18.317 ( 0.000 6.166 0.000) 6.166 18.488 ( 0.000 0.298 0.000) 0.298 18.544 ( 0.000 1.568 0.000) 1.568 18.729 ( 0.000 -4.518 0.000) 4.518 18.766 ( 0.000 -1.069 0.000) 1.069 18.972 ( 0.000 3.226 0.000) 3.226 19.109 ( 0.000 1.159 0.000) 1.159 20.960 ( 0.000 1.707 0.000) 1.707 21.275 ( 0.000 -5.076 0.000) 5.076 21.625 ( 0.000 2.383 0.000) 2.383 21.864 ( 0.000 -6.815 0.000) 6.815 22.693 ( 0.000 2.126 0.000) 2.126 22.770 ( 0.000 0.206 0.000) 0.206 22.814 ( 0.000 -0.339 0.000) 0.339 22.850 ( 0.000 -1.101 0.000) 1.101 22.922 ( 0.000 -2.128 0.000) 2.128 22.936 ( 0.000 -4.305 0.000) 4.305 22.978 ( 0.000 -4.691 0.000) 4.691 23.120 ( 0.000 -6.749 0.000) 6.749 ======================= Grid point 22 (14/70) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -2.612 6.093 0.681) 6.664 2.150 ( -1.215 19.619 2.760) 19.849 2.179 ( 11.476 20.370 6.534) 24.276 2.365 ( -3.905 -1.206 4.400) 6.005 2.432 ( 3.463 -0.101 -3.375) 4.837 2.600 ( -2.026 -5.553 -6.932) 9.110 2.747 ( -2.491 5.233 -2.844) 6.455 2.786 ( -5.746 4.085 2.694) 7.547 2.878 ( 3.665 0.295 -0.283) 3.688 2.970 ( -1.124 -7.943 2.058) 8.282 3.065 ( -6.139 4.645 1.918) 7.933 3.143 ( 3.161 0.474 -2.722) 4.198 3.235 ( -3.024 -4.235 3.018) 6.016 3.301 ( -5.387 0.801 -7.567) 9.324 3.380 ( -5.427 3.645 7.323) 9.816 3.466 ( -1.320 0.405 -5.549) 5.718 3.497 ( -4.026 -0.061 -0.124) 4.029 3.552 ( -4.990 -3.897 -0.640) 6.364 3.569 ( 0.044 0.047 -1.585) 1.586 3.619 ( 6.338 0.331 1.074) 6.437 3.751 ( 3.528 -3.320 -2.346) 5.382 3.829 ( 2.943 -0.286 1.830) 3.477 3.870 ( -4.622 -2.156 0.412) 5.117 3.934 ( 1.576 -2.225 0.483) 2.769 4.025 ( -2.536 0.219 2.735) 3.736 4.064 ( -4.654 -7.254 0.051) 8.618 4.091 ( -2.009 -4.374 0.384) 4.828 4.217 ( -0.193 1.872 1.195) 2.229 4.249 ( -2.118 4.605 -1.589) 5.313 4.353 ( 0.370 3.809 5.514) 6.712 4.419 ( 8.054 3.109 2.319) 8.939 4.482 ( -2.524 -3.013 -5.420) 6.695 4.518 ( -0.524 0.118 3.434) 3.476 4.551 ( 3.786 -10.613 4.028) 11.966 4.662 ( -2.630 -0.418 -5.424) 6.043 4.791 ( 4.131 -13.635 -0.409) 14.253 4.862 ( 1.428 -1.623 0.279) 2.180 4.997 ( 3.372 1.620 -4.295) 5.696 5.044 ( 9.336 -10.577 6.830) 15.674 5.157 ( -0.646 -2.723 -4.535) 5.329 5.196 ( 2.263 -1.048 3.807) 4.551 5.298 ( -6.647 -3.838 -2.449) 8.056 5.325 ( 7.739 2.572 0.105) 8.156 5.438 ( -0.217 3.371 0.548) 3.422 5.491 ( 0.435 0.281 -3.866) 3.900 5.524 ( -8.877 -2.875 -2.175) 9.581 5.551 ( 7.066 2.752 -2.934) 8.131 5.618 ( 1.898 3.546 -4.802) 6.264 5.659 ( 2.595 4.332 -0.453) 5.070 5.717 ( -0.841 -1.389 -0.142) 1.630 5.879 ( 7.487 -0.104 -1.863) 7.716 5.933 ( -2.385 -0.900 -5.268) 5.853 6.066 ( 0.215 -5.436 3.494) 6.465 6.084 ( -2.173 -4.959 -1.908) 5.741 6.147 ( -0.502 1.180 3.301) 3.541 6.187 ( 5.581 -5.570 -8.261) 11.420 6.305 ( 0.016 -4.956 1.375) 5.143 6.369 ( 1.566 -5.774 1.603) 6.193 6.484 ( -0.373 -0.253 1.651) 1.712 6.566 ( -1.446 4.311 5.657) 7.258 6.582 ( -7.248 -1.009 -0.146) 7.319 6.707 ( -4.370 -4.319 -0.223) 6.148 6.715 ( 1.865 -1.719 -2.882) 3.840 6.804 ( -5.278 -0.564 -2.941) 6.068 6.831 ( -2.444 -1.563 6.427) 7.052 6.956 ( 3.878 1.046 7.599) 8.595 7.029 ( 4.145 4.636 0.342) 6.228 7.089 ( 4.410 -1.722 7.573) 8.931 7.177 ( -1.258 -2.904 10.755) 11.211 7.209 ( -1.896 2.492 -5.667) 6.475 7.315 ( -2.304 1.347 1.634) 3.129 7.325 ( -0.857 2.980 -3.630) 4.774 7.404 ( -2.039 1.099 -1.937) 3.019 7.493 ( -7.270 -1.401 -1.399) 7.535 7.537 ( -3.915 -2.147 -3.313) 5.560 7.613 ( 8.002 -2.718 4.933) 9.785 7.671 ( -0.188 3.659 -1.623) 4.007 7.759 ( -0.265 -1.242 -0.296) 1.304 7.830 ( 6.302 -2.618 -3.236) 7.553 7.933 ( -4.293 -5.785 -3.306) 7.926 8.001 ( 2.667 0.059 1.530) 3.075 8.156 ( -6.605 -4.352 -0.199) 7.913 8.194 ( -0.939 -3.769 -2.117) 4.424 8.254 ( 3.134 2.701 -3.172) 5.214 8.344 ( 6.019 -2.016 2.749) 6.917 8.429 ( 4.328 -2.560 -1.902) 5.376 8.503 ( 1.240 -5.559 -1.175) 5.816 8.610 ( -6.601 0.239 2.701) 7.136 8.666 ( 0.265 3.898 4.713) 6.122 8.769 ( 0.653 0.107 -6.161) 6.196 8.861 ( -2.236 -0.113 -2.062) 3.043 8.939 ( -3.273 -2.877 5.744) 7.210 9.058 ( -0.759 -0.965 -2.276) 2.586 9.123 ( -0.057 -1.474 3.358) 3.668 9.181 ( -0.832 -8.523 -0.299) 8.569 9.232 ( 1.468 3.501 -5.605) 6.769 9.345 ( -2.060 -1.234 -1.351) 2.755 9.478 ( 2.862 3.644 -6.227) 7.762 9.538 ( 0.809 7.639 -2.547) 8.093 9.631 ( 0.639 9.036 7.688) 11.881 9.677 ( -1.374 3.593 1.011) 3.978 9.882 ( -3.989 1.987 5.755) 7.279 9.985 ( -6.464 -0.920 -0.409) 6.542 10.076 ( -0.396 0.663 0.652) 1.011 10.134 ( -0.467 -0.909 0.312) 1.068 10.237 ( -3.402 -0.509 1.429) 3.725 10.318 ( 1.205 6.895 -2.523) 7.440 10.359 ( 0.716 2.810 0.433) 2.931 10.509 ( -1.149 -1.438 1.633) 2.460 10.521 ( 7.489 6.236 0.283) 9.750 10.612 ( 4.890 2.120 2.112) 5.733 10.733 ( 2.817 12.234 -0.788) 12.579 10.814 ( -2.583 -6.172 -6.134) 9.077 10.917 ( 5.397 -5.556 -2.660) 8.189 11.008 ( -2.138 1.930 -2.705) 3.951 11.102 ( -2.643 5.772 1.558) 6.537 11.181 ( 0.270 4.332 1.201) 4.504 11.216 ( 1.231 -8.529 3.549) 9.319 11.351 ( -1.437 1.984 -1.625) 2.940 11.454 ( 2.625 -5.362 1.672) 6.200 11.484 ( -3.419 -6.873 3.078) 8.271 11.630 ( 5.604 4.948 1.483) 7.622 11.687 ( 3.587 -8.271 -0.006) 9.015 11.733 ( 1.247 -1.685 -1.231) 2.431 11.742 ( -0.056 -0.542 -0.039) 0.546 11.815 ( 2.081 6.696 0.709) 7.048 12.108 ( -1.022 -1.645 -3.000) 3.571 12.187 ( -2.393 -6.565 0.508) 7.006 12.233 ( -0.315 -1.457 -2.866) 3.231 12.312 ( -2.639 -3.825 3.045) 5.556 12.360 ( 0.335 -6.935 0.548) 6.965 12.520 ( -2.997 -3.036 -1.799) 4.630 13.086 ( 2.184 4.858 0.428) 5.344 13.243 ( -1.756 1.229 0.890) 2.321 13.355 ( 2.986 0.155 3.892) 4.908 13.421 ( -0.623 -0.234 0.416) 0.785 13.596 ( 1.055 1.479 -3.133) 3.622 13.666 ( -1.444 3.654 -3.056) 4.978 13.727 ( -0.543 2.403 1.121) 2.706 13.775 ( -0.761 0.443 -0.425) 0.978 13.841 ( 1.992 4.280 1.118) 4.851 13.898 ( 0.045 2.207 0.669) 2.306 13.979 ( 0.964 4.494 -2.528) 5.246 14.017 ( 1.344 3.694 -0.478) 3.960 14.407 ( 3.216 -0.622 1.153) 3.473 14.506 ( 0.592 0.072 -1.666) 1.770 14.512 ( 0.692 -0.054 0.796) 1.056 14.567 ( 2.198 0.266 0.765) 2.343 15.029 ( -0.561 1.861 2.938) 3.523 15.124 ( -5.246 1.373 -1.535) 5.636 15.275 ( 3.219 4.970 -0.618) 5.953 15.326 ( 1.178 -0.234 -0.286) 1.235 15.622 ( 3.998 2.388 2.670) 5.368 15.669 ( 7.762 -0.007 -0.490) 7.777 15.848 ( -9.580 -8.579 -5.531) 13.999 16.238 ( 0.903 -18.691 1.299) 18.757 17.826 ( -0.555 5.331 0.513) 5.384 17.944 ( -1.088 3.672 -0.106) 3.831 17.992 ( 2.262 2.436 0.349) 3.343 18.031 ( 2.846 3.426 0.373) 4.469 18.203 ( -5.255 5.103 -0.020) 7.325 18.383 ( 0.485 2.179 -0.788) 2.367 18.449 ( 0.117 6.961 -0.614) 6.989 18.528 ( -2.792 -1.432 -0.328) 3.155 18.663 ( -5.217 -4.080 -0.411) 6.636 18.783 ( -0.881 -0.115 0.911) 1.272 19.013 ( 2.970 4.358 3.294) 6.218 19.070 ( -1.118 1.847 -4.318) 4.827 21.045 ( 3.587 -0.408 7.830) 8.622 21.245 ( -3.818 -5.166 0.861) 6.481 21.566 ( -1.821 3.003 -5.715) 6.708 21.830 ( -1.547 -6.113 -4.093) 7.518 22.671 ( -3.616 -0.269 -0.211) 3.633 22.702 ( -2.035 1.420 1.013) 2.680 22.819 ( -4.835 -3.546 0.445) 6.013 22.877 ( 2.501 -0.776 0.591) 2.685 22.928 ( 5.168 -2.028 0.755) 5.602 22.944 ( -1.061 -2.835 -0.503) 3.069 23.058 ( 4.185 -3.296 2.308) 5.806 23.114 ( 0.519 -6.102 -1.322) 6.265 ======================= Grid point 23 (15/70) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -4.331 5.419 -1.216) 7.043 2.242 ( 3.710 10.296 2.385) 11.201 2.325 ( -2.232 -1.053 1.812) 3.061 2.396 ( -2.415 5.857 0.488) 6.354 2.494 ( 13.192 4.534 0.170) 13.951 2.581 ( 5.389 5.269 1.039) 7.608 2.672 ( -2.355 0.430 -1.744) 2.962 2.752 ( 0.078 8.293 0.866) 8.338 2.832 ( -5.331 1.199 -5.484) 7.741 2.945 ( -4.950 2.766 1.786) 5.945 2.986 ( -0.891 -3.125 -1.482) 3.572 3.122 ( -6.774 -1.463 -2.060) 7.230 3.202 ( -4.644 4.790 -3.719) 7.638 3.248 ( -0.334 -0.935 -2.024) 2.254 3.273 ( -1.606 -4.609 5.151) 7.096 3.305 ( -9.583 1.555 1.123) 9.773 3.424 ( -4.029 1.846 -3.976) 5.954 3.489 ( -0.304 -6.362 2.042) 6.688 3.644 ( 0.253 -0.169 2.536) 2.555 3.688 ( -2.160 3.218 -1.115) 4.033 3.741 ( -4.821 -8.179 3.642) 10.168 3.769 ( 2.036 -9.324 2.186) 9.791 3.902 ( 0.584 -2.875 3.134) 4.292 3.968 ( 4.503 1.457 0.247) 4.739 3.996 ( -2.070 -8.905 -3.788) 9.896 4.091 ( 2.929 -0.874 5.020) 5.877 4.155 ( 5.057 3.827 -2.581) 6.847 4.192 ( -2.425 -2.403 1.835) 3.876 4.227 ( 0.668 -3.136 -1.692) 3.626 4.313 ( -3.151 -2.124 -4.281) 5.724 4.429 ( -2.467 -4.076 2.730) 5.491 4.483 ( 4.339 -4.705 -5.989) 8.765 4.547 ( -1.710 1.779 3.867) 4.587 4.605 ( 0.609 -3.475 -1.572) 3.862 4.685 ( 7.005 -0.865 -7.092) 10.005 4.840 ( 3.743 -6.593 5.827) 9.562 4.959 ( 8.146 0.221 3.653) 8.930 4.978 ( -0.819 -4.736 -3.315) 5.839 5.080 ( -1.656 -4.259 -1.687) 4.871 5.159 ( 0.150 -3.505 -2.204) 4.143 5.234 ( 4.826 3.786 -0.393) 6.147 5.280 ( 0.076 -3.326 -3.624) 4.919 5.374 ( 2.116 -7.967 5.096) 9.692 5.433 ( 0.728 2.029 2.319) 3.166 5.473 ( 4.045 8.245 -4.015) 10.023 5.530 ( -4.584 1.201 -1.398) 4.940 5.596 ( 4.462 -0.533 0.959) 4.595 5.664 ( -6.020 4.255 6.170) 9.613 5.716 ( 5.474 5.446 8.197) 11.261 5.824 ( -2.045 0.609 2.894) 3.595 5.876 ( 6.673 0.004 0.041) 6.673 5.951 ( 6.850 -2.795 -1.830) 7.621 6.011 ( -4.857 0.056 -1.586) 5.110 6.100 ( -2.990 -5.142 -2.806) 6.576 6.144 ( -1.192 0.628 0.504) 1.438 6.225 ( 10.289 -1.936 -1.809) 10.625 6.283 ( -5.994 1.077 2.065) 6.431 6.370 ( 6.663 -0.819 -2.871) 7.301 6.431 ( -6.236 -3.635 -0.746) 7.257 6.498 ( 2.026 1.682 -2.928) 3.938 6.594 ( 0.132 -1.756 -7.374) 7.582 6.647 ( -6.023 6.740 4.609) 10.146 6.686 ( -2.588 -0.594 1.002) 2.838 6.735 ( -0.199 -1.943 -0.881) 2.143 6.804 ( -1.311 0.654 -3.745) 4.021 6.980 ( -6.107 0.266 3.407) 6.998 7.042 ( -2.392 -2.593 -5.614) 6.631 7.099 ( -7.547 3.824 -0.201) 8.463 7.194 ( 3.858 2.747 1.195) 4.885 7.222 ( 1.670 -4.183 -0.146) 4.506 7.307 ( -4.080 -1.896 6.552) 7.948 7.339 ( -0.708 3.158 1.076) 3.410 7.369 ( -4.434 -4.599 0.753) 6.432 7.429 ( -0.893 -2.294 2.351) 3.404 7.499 ( 6.346 0.430 0.008) 6.361 7.590 ( -7.710 -5.496 -2.435) 9.777 7.705 ( -2.099 -3.128 -8.696) 9.477 7.780 ( 2.900 3.643 1.668) 4.946 7.843 ( 7.406 -0.126 -0.031) 7.407 7.881 ( 1.524 2.009 1.719) 3.052 8.022 ( -5.604 -7.938 6.305) 11.583 8.179 ( 1.270 -5.787 1.904) 6.224 8.227 ( 6.101 -0.651 1.878) 6.416 8.298 ( -4.280 -3.791 -4.285) 7.145 8.321 ( 8.576 0.421 -1.755) 8.764 8.395 ( -4.104 -0.999 -0.589) 4.265 8.520 ( -1.325 -3.575 -2.971) 4.834 8.596 ( 2.715 -1.128 3.130) 4.294 8.743 ( 5.829 -1.854 -0.798) 6.168 8.793 ( -1.804 7.081 -4.288) 8.473 8.838 ( 3.124 -5.109 -0.748) 6.035 8.954 ( -2.076 0.770 8.525) 8.808 9.039 ( -5.963 -4.344 -0.308) 7.384 9.100 ( -1.467 -0.786 4.874) 5.150 9.151 ( 1.199 0.649 0.646) 1.508 9.197 ( -2.270 -3.512 -3.113) 5.214 9.312 ( 5.036 0.048 -3.886) 6.361 9.487 ( -2.147 3.777 0.949) 4.447 9.507 ( 6.995 2.628 -1.519) 7.625 9.658 ( -5.621 3.693 2.437) 7.154 9.779 ( 4.710 -2.830 -2.427) 6.007 9.828 ( -6.779 1.255 6.187) 9.263 9.880 ( -8.241 -5.083 1.980) 9.883 9.935 ( -4.597 -3.896 -6.271) 8.697 10.194 ( 0.903 3.743 5.638) 6.827 10.281 ( 6.025 6.126 -3.301) 9.204 10.294 ( -2.063 8.015 0.788) 8.314 10.359 ( 1.699 4.073 -1.511) 4.665 10.507 ( -1.438 4.857 0.866) 5.139 10.604 ( 2.521 7.701 -2.525) 8.487 10.670 ( -0.116 -1.241 -3.625) 3.833 10.771 ( 3.919 8.859 2.507) 10.007 10.832 ( 3.846 4.921 -2.171) 6.612 10.898 ( 0.430 -4.078 2.851) 4.994 10.991 ( 3.435 -2.845 -4.044) 6.021 11.052 ( -3.542 -1.105 0.493) 3.743 11.178 ( -0.705 3.836 -1.600) 4.215 11.259 ( -5.462 -4.239 3.801) 7.890 11.341 ( 4.894 -3.931 -0.782) 6.326 11.453 ( -4.375 -6.402 3.690) 8.588 11.508 ( 0.071 -1.199 2.257) 2.557 11.689 ( 3.006 5.053 -4.586) 7.457 11.729 ( 1.532 -2.901 -2.538) 4.147 11.747 ( -1.162 -2.590 0.590) 2.899 11.776 ( 5.025 -5.533 0.237) 7.478 11.901 ( 5.104 6.046 3.316) 8.579 12.063 ( -0.459 -0.271 0.610) 0.810 12.156 ( -1.942 -7.528 0.020) 7.775 12.215 ( 0.239 -0.819 -1.741) 1.939 12.286 ( -3.378 -2.852 2.181) 4.929 12.348 ( -0.829 -6.406 -1.893) 6.731 12.456 ( -2.141 -0.514 -0.112) 2.205 13.147 ( 2.560 3.331 2.015) 4.659 13.244 ( 0.371 1.629 2.173) 2.741 13.391 ( -1.914 0.675 -0.771) 2.171 13.444 ( 1.104 1.274 2.567) 3.071 13.573 ( 0.406 1.452 -3.154) 3.496 13.643 ( 1.035 3.691 -0.119) 3.835 13.720 ( -0.612 -1.500 -0.660) 1.749 13.773 ( 0.591 1.263 0.442) 1.463 13.887 ( 0.861 5.235 2.660) 5.935 13.905 ( 0.131 2.585 0.435) 2.624 13.955 ( 0.348 5.380 -3.330) 6.337 14.030 ( 1.395 4.506 -1.727) 5.023 14.459 ( 1.582 -1.924 -0.834) 2.627 14.500 ( 1.631 0.557 -1.170) 2.083 14.540 ( 0.638 -2.414 1.670) 3.004 14.598 ( 0.935 -1.510 -0.857) 1.971 15.014 ( -4.284 -0.086 -2.053) 4.751 15.054 ( -0.613 1.622 3.105) 3.556 15.215 ( -2.905 0.591 -5.923) 6.624 15.409 ( 5.301 0.954 -2.707) 6.028 15.619 ( -1.970 1.205 -6.046) 6.472 15.701 ( -2.157 -1.408 8.186) 8.582 15.898 ( 13.354 0.008 0.511) 13.364 16.229 ( -5.826 -10.342 3.666) 12.423 17.849 ( 0.993 4.390 0.013) 4.501 17.954 ( 3.014 1.251 1.714) 3.686 18.024 ( 1.718 2.008 -0.466) 2.684 18.088 ( 1.679 2.657 1.031) 3.308 18.147 ( 0.174 2.441 -0.630) 2.528 18.313 ( -5.522 0.473 -1.017) 5.635 18.432 ( -4.221 1.721 -0.401) 4.576 18.452 ( -5.164 -3.257 0.250) 6.110 18.623 ( 1.476 3.683 1.380) 4.200 18.754 ( -2.044 3.104 -1.041) 3.859 18.999 ( -1.305 1.882 -3.266) 3.989 19.118 ( 3.652 3.609 2.952) 5.922 21.188 ( -3.957 -4.685 2.553) 6.643 21.195 ( 1.395 -3.239 6.862) 7.715 21.489 ( 1.912 2.473 -4.999) 5.896 21.726 ( -3.218 -5.111 -5.908) 8.448 22.581 ( -3.729 -0.527 -1.951) 4.241 22.737 ( 0.342 0.483 3.970) 4.014 22.761 ( -2.060 -3.473 -0.247) 4.046 22.847 ( -3.167 -3.394 -0.369) 4.656 22.987 ( 4.066 -0.115 -0.007) 4.068 23.018 ( 4.434 -1.702 0.082) 4.750 23.107 ( -0.227 -3.516 0.315) 3.537 23.114 ( 0.182 -4.219 -0.016) 4.223 ======================= Grid point 24 (16/70) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 0.000 5.304 0.000) 5.304 2.252 ( 0.000 -5.481 0.000) 5.481 2.304 ( 0.000 4.759 -0.000) 4.759 2.452 ( 0.000 5.711 0.000) 5.711 2.589 ( 0.000 7.954 0.000) 7.954 2.635 ( 0.000 1.238 0.000) 1.238 2.697 ( 0.000 0.430 0.000) 0.430 2.717 ( -0.000 4.044 -0.000) 4.044 2.783 ( 0.000 8.658 0.000) 8.658 2.906 ( 0.000 5.261 0.000) 5.261 2.966 ( 0.000 7.265 0.000) 7.265 3.019 ( 0.000 -2.059 0.000) 2.059 3.117 ( 0.000 5.679 0.000) 5.679 3.151 ( 0.000 -4.218 0.000) 4.218 3.246 ( 0.000 -7.234 0.000) 7.234 3.284 ( 0.000 -1.387 0.000) 1.387 3.394 ( 0.000 7.564 0.000) 7.564 3.561 ( 0.000 -11.730 0.000) 11.730 3.580 ( -0.000 -9.306 0.000) 9.306 3.647 ( 0.000 -3.357 -0.000) 3.357 3.744 ( -0.000 3.470 0.000) 3.470 3.868 ( -0.000 -14.407 0.000) 14.407 3.890 ( 0.000 -12.517 0.000) 12.517 3.947 ( 0.000 2.136 0.000) 2.136 4.028 ( 0.000 -0.463 0.000) 0.463 4.110 ( 0.000 -2.730 0.000) 2.730 4.169 ( -0.000 3.969 -0.000) 3.969 4.171 ( 0.000 1.600 0.000) 1.600 4.240 ( 0.000 1.444 0.000) 1.444 4.292 ( 0.000 2.907 0.000) 2.907 4.389 ( 0.000 -8.481 -0.000) 8.481 4.518 ( 0.000 -9.972 0.000) 9.972 4.589 ( 0.000 -3.826 -0.000) 3.826 4.634 ( 0.000 -11.035 -0.000) 11.035 4.655 ( 0.000 -1.106 0.000) 1.106 4.915 ( 0.000 -6.451 -0.000) 6.451 4.931 ( -0.000 -3.850 0.000) 3.850 4.998 ( -0.000 -6.732 0.000) 6.732 5.145 ( 0.000 1.440 0.000) 1.440 5.207 ( 0.000 11.278 0.000) 11.278 5.252 ( 0.000 -3.858 -0.000) 3.858 5.286 ( 0.000 15.512 0.000) 15.512 5.384 ( -0.000 0.591 0.000) 0.591 5.463 ( 0.000 -1.851 0.000) 1.851 5.493 ( -0.000 4.375 0.000) 4.375 5.524 ( 0.000 -8.099 -0.000) 8.099 5.584 ( 0.000 6.612 0.000) 6.612 5.637 ( 0.000 -2.656 0.000) 2.656 5.815 ( 2.709 -1.343 -2.570) 3.968 5.815 ( -2.709 3.740 2.570) 5.285 5.889 ( 0.000 2.497 -0.000) 2.497 5.905 ( -0.000 -2.543 0.000) 2.543 6.022 ( 0.000 1.509 0.000) 1.509 6.096 ( 0.000 -2.785 0.000) 2.785 6.158 ( 0.000 6.736 0.000) 6.736 6.258 ( 0.000 2.039 0.000) 2.039 6.369 ( 0.000 -1.910 0.000) 1.910 6.423 ( 0.000 -5.474 0.000) 5.474 6.444 ( 0.000 3.535 0.000) 3.535 6.445 ( -0.000 6.343 -0.000) 6.343 6.566 ( 0.000 -10.001 0.000) 10.001 6.595 ( -0.000 1.449 -0.000) 1.449 6.628 ( -0.000 3.061 0.000) 3.061 6.724 ( 0.000 -0.713 0.000) 0.713 6.781 ( 0.000 -2.353 0.000) 2.353 6.803 ( 0.000 -1.437 -0.000) 1.437 6.984 ( 0.000 -2.870 -0.000) 2.870 7.094 ( 0.000 0.185 0.000) 0.185 7.221 ( 0.000 6.226 0.000) 6.226 7.235 ( 0.000 -1.774 -0.000) 1.774 7.278 ( 0.000 1.899 0.000) 1.899 7.349 ( -0.000 1.808 0.000) 1.808 7.368 ( 0.000 -10.175 -0.000) 10.175 7.384 ( -0.000 -6.285 0.000) 6.285 7.511 ( 0.000 1.049 0.000) 1.049 7.570 ( 0.000 1.819 0.000) 1.819 7.722 ( -0.000 -1.185 -0.000) 1.185 7.734 ( 0.000 -5.320 0.000) 5.320 7.877 ( 0.000 -1.917 -0.000) 1.917 7.970 ( 0.000 4.583 -0.000) 4.583 8.028 ( 0.000 -4.913 0.000) 4.913 8.164 ( 0.000 -9.381 0.000) 9.381 8.219 ( 0.000 -5.438 -0.000) 5.438 8.303 ( 0.000 12.616 0.000) 12.616 8.382 ( 0.000 -4.983 0.000) 4.983 8.455 ( 0.000 0.335 0.000) 0.335 8.540 ( 0.000 -2.060 0.000) 2.060 8.574 ( -0.000 4.601 -0.000) 4.601 8.673 ( 0.000 -2.171 0.000) 2.171 8.752 ( 0.000 -7.389 0.000) 7.389 8.865 ( 0.000 -1.034 0.000) 1.034 8.984 ( 0.000 -4.783 0.000) 4.783 9.018 ( 0.000 -2.505 0.000) 2.505 9.103 ( 0.000 -6.856 0.000) 6.856 9.180 ( 0.000 7.852 -0.000) 7.852 9.210 ( 0.000 4.145 0.000) 4.145 9.418 ( 0.000 2.814 0.000) 2.814 9.501 ( -0.000 -2.213 0.000) 2.213 9.541 ( -0.000 -1.118 -0.000) 1.118 9.551 ( 0.000 1.021 0.000) 1.021 9.721 ( 0.000 -3.522 0.000) 3.522 9.794 ( 0.000 -2.583 0.000) 2.583 9.819 ( 0.000 -10.405 0.000) 10.405 9.908 ( 0.000 -1.353 0.000) 1.353 10.231 ( 0.000 8.110 -0.000) 8.110 10.267 ( 0.000 8.104 0.000) 8.104 10.339 ( 0.000 7.647 0.000) 7.647 10.381 ( 0.000 4.349 0.000) 4.349 10.509 ( 0.000 9.042 0.000) 9.042 10.578 ( 0.000 4.251 0.000) 4.251 10.636 ( 0.000 1.798 -0.000) 1.798 10.810 ( 0.000 9.154 0.000) 9.154 10.857 ( 0.000 6.361 0.000) 6.361 10.951 ( 0.000 -4.760 0.000) 4.760 10.987 ( 0.000 -7.430 -0.000) 7.430 11.064 ( 0.000 -1.317 0.000) 1.317 11.137 ( -0.000 2.159 -0.000) 2.159 11.214 ( 0.000 -0.294 0.000) 0.294 11.394 ( -0.000 -7.608 0.000) 7.608 11.431 ( 0.000 -2.314 -0.000) 2.314 11.520 ( 0.000 -3.253 0.000) 3.253 11.654 ( 0.000 5.142 0.000) 5.142 11.737 ( -0.000 5.642 0.000) 5.642 11.742 ( 0.000 -10.023 -0.000) 10.023 11.826 ( 0.000 -2.700 0.000) 2.700 11.981 ( 0.000 4.916 0.000) 4.916 12.102 ( 0.000 -1.864 0.000) 1.864 12.121 ( 0.000 -2.317 -0.000) 2.317 12.183 ( -0.000 -7.153 0.000) 7.153 12.271 ( 0.000 -3.444 0.000) 3.444 12.325 ( 0.000 -3.067 0.000) 3.067 12.441 ( 0.000 0.155 0.000) 0.155 13.182 ( 0.000 1.974 0.000) 1.974 13.306 ( 0.000 2.568 0.000) 2.568 13.325 ( -0.000 0.376 -0.000) 0.376 13.467 ( 0.000 2.114 0.000) 2.114 13.557 ( 0.000 2.231 0.000) 2.231 13.660 ( 0.000 2.744 0.000) 2.744 13.709 ( 0.000 -2.999 0.000) 2.999 13.783 ( -0.000 0.938 0.000) 0.938 13.902 ( 0.000 6.517 0.000) 6.517 13.925 ( 0.000 4.245 -0.000) 4.245 13.932 ( -0.000 4.441 0.000) 4.441 14.028 ( 0.000 4.667 0.000) 4.667 14.461 ( 0.000 -1.379 0.000) 1.379 14.516 ( 0.000 -0.287 0.000) 0.287 14.563 ( -0.000 -3.508 -0.000) 3.508 14.588 ( 0.000 -1.586 0.000) 1.586 14.958 ( 0.000 -0.464 0.000) 0.464 15.092 ( -0.000 -4.696 -0.000) 4.696 15.118 ( 0.000 5.339 0.000) 5.339 15.405 ( 0.000 -3.013 0.000) 3.013 15.605 ( -0.000 4.435 0.000) 4.435 15.735 ( 0.000 -0.027 0.000) 0.027 16.089 ( 0.000 -3.551 -0.000) 3.551 16.133 ( -0.000 -1.326 0.000) 1.326 17.848 ( 0.000 4.539 0.000) 4.539 18.016 ( 0.000 -2.307 -0.000) 2.307 18.045 ( 0.000 3.633 0.000) 3.633 18.147 ( 0.000 1.080 0.000) 1.080 18.173 ( -0.000 2.369 0.000) 2.369 18.179 ( 0.000 -0.632 0.000) 0.632 18.373 ( 0.000 -3.286 -0.000) 3.286 18.411 ( -0.000 -0.941 0.000) 0.941 18.675 ( 0.000 7.776 0.000) 7.776 18.708 ( 0.000 3.492 0.000) 3.492 18.968 ( 0.000 1.379 0.000) 1.379 19.169 ( 0.000 2.547 0.000) 2.547 21.169 ( 0.000 -3.949 -0.000) 3.949 21.232 ( -0.000 -2.562 0.000) 2.562 21.518 ( 0.000 -0.285 0.000) 0.285 21.633 ( -0.000 -4.669 0.000) 4.669 22.532 ( 0.000 0.480 0.000) 0.480 22.734 ( 0.000 -4.215 0.000) 4.215 22.777 ( 0.000 0.668 0.000) 0.668 22.813 ( 0.000 -3.516 0.000) 3.516 23.033 ( 0.000 -0.148 0.000) 0.148 23.072 ( 0.000 -2.412 0.000) 2.412 23.083 ( -0.000 -2.304 0.000) 2.304 23.112 ( 0.000 -3.789 0.000) 3.789 ======================= Grid point 28 (17/70) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.000 5.766 0.000) 5.766 2.265 ( 0.000 -6.144 0.000) 6.144 2.346 ( 0.000 0.544 0.000) 0.544 2.420 ( 0.000 1.782 0.000) 1.782 2.508 ( 0.000 6.094 0.000) 6.094 2.632 ( 0.000 18.436 0.000) 18.436 2.674 ( 0.000 -4.692 0.000) 4.692 2.908 ( 0.000 -5.180 0.000) 5.180 2.933 ( 0.000 6.630 0.000) 6.630 3.065 ( 0.000 4.156 0.000) 4.156 3.066 ( 0.000 -9.245 0.000) 9.245 3.120 ( 0.000 10.207 0.000) 10.207 3.186 ( 0.000 -12.664 0.000) 12.664 3.362 ( 0.000 -7.501 0.000) 7.501 3.387 ( 0.000 2.495 0.000) 2.495 3.434 ( 0.000 11.272 0.000) 11.272 3.481 ( 0.000 -1.880 0.000) 1.880 3.539 ( 0.000 1.297 0.000) 1.297 3.624 ( 0.000 -4.328 0.000) 4.328 3.640 ( 0.000 -4.518 0.000) 4.518 3.681 ( 0.000 -2.787 0.000) 2.787 3.784 ( 0.000 2.626 0.000) 2.626 3.787 ( 0.000 -14.122 0.000) 14.122 3.859 ( 0.000 -8.928 0.000) 8.928 3.935 ( 0.000 12.278 0.000) 12.278 4.032 ( 0.000 1.787 0.000) 1.787 4.196 ( 0.000 9.601 0.000) 9.601 4.228 ( 0.000 3.392 0.000) 3.392 4.255 ( 0.000 -4.447 0.000) 4.447 4.284 ( 0.000 -0.389 0.000) 0.389 4.378 ( 0.000 -5.441 0.000) 5.441 4.421 ( 0.000 -8.198 0.000) 8.198 4.461 ( 0.000 -6.055 0.000) 6.055 4.497 ( 0.000 -1.461 0.000) 1.461 4.604 ( 0.000 0.373 0.000) 0.373 4.713 ( 0.000 -5.445 0.000) 5.445 4.860 ( 0.000 8.651 0.000) 8.651 4.944 ( 0.000 10.110 0.000) 10.110 4.995 ( 0.000 -2.937 0.000) 2.937 5.159 ( 0.000 3.804 0.000) 3.804 5.178 ( 0.000 -2.267 0.000) 2.267 5.298 ( 0.000 3.186 0.000) 3.186 5.369 ( 0.000 -7.758 0.000) 7.758 5.371 ( 0.000 -9.359 0.000) 9.359 5.456 ( 0.000 3.040 0.000) 3.040 5.476 ( 0.000 -1.983 0.000) 1.983 5.643 ( 0.000 -3.756 0.000) 3.756 5.645 ( 0.000 -3.364 0.000) 3.364 5.699 ( 0.000 1.884 0.000) 1.884 5.772 ( 0.000 -5.316 0.000) 5.316 5.883 ( 0.000 9.036 0.000) 9.036 5.892 ( 0.000 8.392 0.000) 8.392 6.009 ( 0.000 -0.865 0.000) 0.865 6.058 ( 0.000 -3.213 0.000) 3.213 6.091 ( 0.000 -1.050 0.000) 1.050 6.149 ( 0.000 -2.467 0.000) 2.467 6.233 ( 0.000 -1.120 0.000) 1.120 6.260 ( 0.000 -4.408 0.000) 4.408 6.457 ( 0.000 4.979 0.000) 4.979 6.557 ( 0.000 1.477 0.000) 1.477 6.601 ( 0.000 4.013 0.000) 4.013 6.669 ( 0.000 -4.654 0.000) 4.654 6.727 ( 0.000 -0.588 0.000) 0.588 6.745 ( 0.000 -0.671 0.000) 0.671 6.825 ( 0.000 3.273 0.000) 3.273 6.869 ( 0.000 -0.865 0.000) 0.865 6.935 ( 0.000 1.417 0.000) 1.417 6.970 ( 0.000 -0.554 0.000) 0.554 7.219 ( 0.000 -0.683 0.000) 0.683 7.283 ( 0.000 -3.523 0.000) 3.523 7.399 ( 0.000 0.816 0.000) 0.816 7.403 ( 0.000 2.862 0.000) 2.862 7.483 ( 0.000 6.159 0.000) 6.159 7.491 ( 0.000 0.203 0.000) 0.203 7.555 ( 0.000 -2.916 0.000) 2.916 7.617 ( 0.000 -6.001 0.000) 6.001 7.660 ( 0.000 2.890 0.000) 2.890 7.673 ( 0.000 0.122 0.000) 0.122 7.826 ( 0.000 -12.230 0.000) 12.230 7.827 ( 0.000 -4.979 0.000) 4.979 8.015 ( 0.000 6.044 0.000) 6.044 8.118 ( 0.000 -3.618 0.000) 3.618 8.232 ( 0.000 3.235 0.000) 3.235 8.280 ( 0.000 6.561 0.000) 6.561 8.369 ( 0.000 -2.787 0.000) 2.787 8.380 ( 0.000 -1.311 0.000) 1.311 8.408 ( 0.000 7.229 0.000) 7.229 8.591 ( 0.000 -5.691 0.000) 5.691 8.698 ( 0.000 1.792 0.000) 1.792 8.791 ( 0.000 -4.926 0.000) 4.926 8.835 ( 0.000 -0.618 0.000) 0.618 8.856 ( 0.000 -3.010 0.000) 3.010 8.959 ( 0.000 -3.537 0.000) 3.537 9.022 ( 0.000 -6.073 0.000) 6.073 9.205 ( 0.000 6.285 0.000) 6.285 9.300 ( 0.000 -3.643 0.000) 3.643 9.468 ( 0.000 5.721 0.000) 5.721 9.483 ( 0.000 4.451 0.000) 4.451 9.649 ( 0.000 2.228 0.000) 2.228 9.736 ( 0.000 -4.739 0.000) 4.739 9.867 ( 0.000 5.739 0.000) 5.739 9.869 ( 0.000 8.306 0.000) 8.306 10.009 ( 0.000 -7.075 0.000) 7.075 10.049 ( 0.000 -6.647 0.000) 6.647 10.139 ( 0.000 6.457 0.000) 6.457 10.265 ( 0.000 -1.151 0.000) 1.151 10.352 ( 0.000 2.320 0.000) 2.320 10.386 ( 0.000 3.353 0.000) 3.353 10.483 ( 0.000 0.858 0.000) 0.858 10.487 ( 0.000 1.641 0.000) 1.641 10.603 ( 0.000 -4.221 0.000) 4.221 10.644 ( 0.000 -7.834 0.000) 7.834 10.888 ( 0.000 5.535 0.000) 5.535 11.031 ( 0.000 -8.033 0.000) 8.033 11.038 ( 0.000 13.404 0.000) 13.404 11.159 ( 0.000 8.505 0.000) 8.505 11.192 ( 0.000 0.461 0.000) 0.461 11.274 ( 0.000 4.505 0.000) 4.505 11.308 ( 0.000 -2.937 0.000) 2.937 11.338 ( 0.000 -8.547 0.000) 8.547 11.356 ( 0.000 -1.359 0.000) 1.359 11.460 ( 0.000 -10.093 0.000) 10.093 11.669 ( 0.000 1.131 0.000) 1.131 11.683 ( 0.000 -1.250 0.000) 1.250 11.812 ( 0.000 10.226 0.000) 10.226 12.029 ( 0.000 8.383 0.000) 8.383 12.040 ( 0.000 -9.494 0.000) 9.494 12.108 ( 0.000 -4.636 0.000) 4.636 12.172 ( 0.000 3.763 0.000) 3.763 12.286 ( 0.000 -3.004 0.000) 3.004 12.313 ( 0.000 2.156 0.000) 2.156 12.420 ( 0.000 -8.575 0.000) 8.575 13.174 ( 0.000 5.436 0.000) 5.436 13.262 ( 0.000 -2.674 0.000) 2.674 13.299 ( 0.000 1.827 0.000) 1.827 13.355 ( 0.000 -3.859 0.000) 3.859 13.656 ( 0.000 1.976 0.000) 1.976 13.697 ( 0.000 -2.158 0.000) 2.158 13.770 ( 0.000 1.654 0.000) 1.654 13.791 ( 0.000 -0.642 0.000) 0.642 13.898 ( 0.000 3.619 0.000) 3.619 13.929 ( 0.000 0.435 0.000) 0.435 14.036 ( 0.000 1.560 0.000) 1.560 14.045 ( 0.000 0.666 0.000) 0.666 14.399 ( 0.000 2.120 0.000) 2.120 14.446 ( 0.000 -2.497 0.000) 2.497 14.563 ( 0.000 1.379 0.000) 1.379 14.567 ( 0.000 1.052 0.000) 1.052 15.047 ( 0.000 2.658 0.000) 2.658 15.123 ( 0.000 -4.886 0.000) 4.886 15.359 ( 0.000 5.942 0.000) 5.942 15.396 ( 0.000 2.566 0.000) 2.566 15.619 ( 0.000 4.481 0.000) 4.481 15.631 ( 0.000 2.336 0.000) 2.336 15.814 ( 0.000 -7.439 0.000) 7.439 15.856 ( 0.000 -12.105 0.000) 12.105 17.944 ( 0.000 3.805 0.000) 3.805 17.978 ( 0.000 0.161 0.000) 0.161 18.041 ( 0.000 2.651 0.000) 2.651 18.065 ( 0.000 0.994 0.000) 0.994 18.434 ( 0.000 5.856 0.000) 5.856 18.441 ( 0.000 5.225 0.000) 5.225 18.487 ( 0.000 0.199 0.000) 0.199 18.524 ( 0.000 -2.422 0.000) 2.422 18.648 ( 0.000 -2.525 0.000) 2.525 18.687 ( 0.000 -5.257 0.000) 5.257 19.060 ( 0.000 4.257 0.000) 4.257 19.116 ( 0.000 -1.066 0.000) 1.066 21.021 ( 0.000 4.562 0.000) 4.562 21.142 ( 0.000 -7.060 0.000) 7.060 21.675 ( 0.000 2.881 0.000) 2.881 21.750 ( 0.000 -4.595 0.000) 4.595 22.769 ( 0.000 4.517 0.000) 4.517 22.800 ( 0.000 2.371 0.000) 2.371 22.813 ( 0.000 0.117 0.000) 0.117 22.828 ( 0.000 -1.288 0.000) 1.288 22.871 ( 0.000 -1.200 0.000) 1.200 22.881 ( 0.000 -1.279 0.000) 1.279 22.905 ( 0.000 -2.199 0.000) 2.199 22.969 ( 0.000 -7.566 0.000) 7.566 ======================= Grid point 29 (18/70) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -7.436 4.577 2.368) 9.047 2.225 ( -6.749 -7.665 3.005) 10.645 2.351 ( 1.867 3.301 -0.352) 3.809 2.448 ( 2.722 -3.324 1.050) 4.423 2.515 ( 4.217 8.033 -3.079) 9.581 2.617 ( 0.170 7.239 0.716) 7.276 2.766 ( 3.911 0.701 -1.424) 4.221 2.853 ( -3.458 -3.525 -0.942) 5.027 2.923 ( -1.318 6.989 0.229) 7.116 2.994 ( -1.903 10.064 -0.660) 10.264 3.102 ( 0.058 -4.600 1.751) 4.922 3.130 ( -0.247 2.864 -1.486) 3.236 3.191 ( -4.984 -2.029 -0.991) 5.471 3.262 ( 0.062 -6.104 -8.893) 10.786 3.376 ( -1.194 -1.167 0.451) 1.729 3.387 ( -4.756 -2.337 7.126) 8.880 3.435 ( -4.185 -1.543 -1.032) 4.578 3.496 ( -4.348 -6.431 1.928) 7.999 3.578 ( -7.773 2.633 3.947) 9.107 3.665 ( -9.059 -4.923 1.326) 10.396 3.730 ( 1.547 3.934 6.043) 7.375 3.788 ( 2.288 -2.357 1.301) 3.533 3.832 ( 3.994 -0.604 -1.141) 4.198 3.873 ( 4.238 -6.696 -0.971) 7.984 3.964 ( 2.582 10.829 1.031) 11.180 4.086 ( -4.713 4.917 0.414) 6.824 4.096 ( 1.853 -0.207 -0.362) 1.900 4.185 ( -1.112 -10.192 4.627) 11.248 4.234 ( -0.048 2.118 1.957) 2.884 4.300 ( -6.450 -0.467 1.330) 6.602 4.356 ( -8.153 -4.505 -2.306) 9.596 4.461 ( -4.284 -10.845 -6.543) 13.370 4.481 ( 12.688 4.882 -4.116) 14.205 4.591 ( 10.781 1.314 -3.862) 11.527 4.628 ( 4.642 -1.563 2.614) 5.552 4.669 ( -1.817 -0.767 -1.081) 2.249 4.776 ( -2.791 -2.193 -0.150) 3.552 4.883 ( -4.023 -9.470 -0.445) 10.298 4.995 ( -0.424 1.909 2.305) 3.023 5.079 ( -5.221 -6.574 0.733) 8.426 5.162 ( 2.581 2.935 -3.262) 5.091 5.264 ( 4.641 -3.237 -4.887) 7.477 5.402 ( 1.773 9.972 1.575) 10.250 5.471 ( 2.785 3.544 0.043) 4.507 5.498 ( -0.360 2.564 -6.505) 7.002 5.584 ( 6.000 -0.802 -0.406) 6.067 5.593 ( 2.867 -0.966 1.309) 3.296 5.622 ( 10.667 -2.882 -1.077) 11.102 5.805 ( -1.868 4.733 -4.326) 6.678 5.827 ( 3.909 2.745 1.841) 5.119 5.866 ( 3.824 -2.029 -1.737) 4.664 5.890 ( 0.043 -2.780 -3.410) 4.400 6.014 ( 6.731 4.169 4.261) 8.991 6.036 ( -1.196 4.655 -10.891) 11.905 6.128 ( -0.704 -3.770 -2.139) 4.391 6.150 ( 1.038 2.038 -0.105) 2.290 6.194 ( 0.967 -2.813 3.430) 4.540 6.225 ( 4.046 -8.713 5.390) 11.015 6.515 ( -6.080 1.237 2.869) 6.835 6.554 ( -3.208 -1.709 -1.796) 4.054 6.617 ( -0.817 3.575 3.744) 5.240 6.690 ( -1.297 -0.210 1.538) 2.023 6.779 ( -1.404 5.386 1.370) 5.732 6.803 ( -1.795 2.459 -0.144) 3.048 6.875 ( 3.714 5.311 12.096) 13.723 6.945 ( 4.798 -3.198 10.313) 11.816 6.979 ( 2.451 -2.500 5.422) 6.454 7.041 ( 3.608 -3.715 0.502) 5.203 7.155 ( -5.631 0.404 1.615) 5.872 7.264 ( -5.861 -4.681 5.149) 9.098 7.330 ( -1.502 5.519 -1.717) 5.972 7.415 ( -2.011 1.461 -8.114) 8.486 7.432 ( -0.401 2.542 -0.617) 2.646 7.464 ( -5.453 -2.428 -5.420) 8.063 7.501 ( -0.604 -2.686 -5.037) 5.740 7.529 ( 3.388 -4.631 -0.628) 5.772 7.655 ( 2.055 -2.539 -10.802) 11.285 7.721 ( 4.149 -3.047 -1.243) 5.295 7.796 ( -1.400 -1.075 -0.761) 1.922 7.838 ( 2.998 -8.995 -0.693) 9.506 7.983 ( -1.270 8.689 2.451) 9.117 8.096 ( 1.374 -1.861 -3.348) 4.069 8.201 ( -7.832 6.223 4.565) 10.996 8.263 ( -4.184 0.575 0.893) 4.316 8.354 ( 1.554 -3.820 -1.031) 4.251 8.391 ( 2.250 -4.422 -0.364) 4.975 8.454 ( 0.631 6.577 2.991) 7.253 8.579 ( -6.572 -3.622 2.115) 7.797 8.720 ( 2.702 -0.061 6.688) 7.214 8.752 ( -4.419 -3.970 -2.396) 6.406 8.814 ( -0.857 1.338 0.452) 1.652 8.911 ( 1.464 -4.403 4.349) 6.359 8.969 ( 2.392 -1.295 -1.586) 3.149 9.050 ( 1.477 -5.572 1.278) 5.905 9.140 ( -4.534 5.792 0.656) 7.385 9.262 ( -2.824 -5.658 0.699) 6.363 9.419 ( -1.599 12.072 -6.082) 13.611 9.585 ( -3.977 2.239 -8.306) 9.478 9.631 ( 5.126 0.460 3.762) 6.375 9.679 ( 2.518 -1.315 0.259) 2.853 9.791 ( -4.384 4.144 -2.380) 6.485 9.877 ( -3.490 -1.616 -1.753) 4.227 9.952 ( -3.729 -3.084 -0.221) 4.844 9.986 ( -5.634 -1.994 -0.572) 6.004 10.183 ( 2.596 4.812 2.993) 6.233 10.273 ( 2.116 -0.465 -0.007) 2.166 10.371 ( -1.250 0.720 0.926) 1.714 10.408 ( -0.646 0.771 1.453) 1.767 10.540 ( 8.268 2.157 0.310) 8.550 10.549 ( 6.866 -0.103 2.130) 7.190 10.605 ( 2.311 -0.126 -0.998) 2.520 10.696 ( 3.272 -5.183 -3.118) 6.877 10.900 ( 0.478 3.571 0.632) 3.658 11.005 ( -1.934 1.143 -3.288) 3.982 11.021 ( -2.160 3.625 3.786) 5.669 11.107 ( -3.095 1.736 -0.267) 3.558 11.197 ( -2.870 3.869 -0.628) 4.858 11.260 ( 2.616 0.293 -3.042) 4.023 11.314 ( -2.974 -2.863 2.178) 4.667 11.351 ( -0.793 -4.513 2.553) 5.246 11.389 ( 3.283 1.091 1.908) 3.951 11.510 ( 5.427 -8.684 0.510) 10.253 11.700 ( 4.929 0.004 -3.553) 6.075 11.704 ( 2.168 -0.683 0.426) 2.313 11.806 ( -2.013 8.158 1.773) 8.587 11.987 ( -4.358 -3.498 1.703) 5.842 12.034 ( 1.609 2.181 -3.260) 4.240 12.111 ( -0.581 -0.414 1.006) 1.233 12.178 ( 1.945 0.401 -1.552) 2.520 12.266 ( -1.977 -4.214 -0.994) 4.760 12.327 ( 0.846 3.019 0.774) 3.229 12.420 ( 0.126 -6.030 0.012) 6.031 13.183 ( 0.548 4.588 0.984) 4.724 13.249 ( -1.279 -1.275 1.112) 2.121 13.349 ( 2.686 0.081 2.271) 3.518 13.380 ( 1.788 -2.720 0.848) 3.364 13.630 ( -0.449 1.985 -2.628) 3.324 13.672 ( -0.434 -1.913 -2.363) 3.072 13.761 ( -1.244 1.456 -0.061) 1.916 13.779 ( -0.929 -0.406 -0.044) 1.015 13.914 ( 1.057 2.596 0.928) 2.952 13.933 ( 0.192 0.695 0.882) 1.139 14.042 ( 1.518 1.886 -1.952) 3.110 14.057 ( 1.896 0.415 -1.175) 2.269 14.420 ( 0.848 1.573 1.747) 2.499 14.460 ( -0.013 -2.307 2.040) 3.079 14.554 ( -0.061 1.905 -1.245) 2.277 14.575 ( 0.571 -0.140 -0.197) 0.620 15.062 ( -1.769 1.615 3.409) 4.167 15.102 ( -3.987 -2.251 1.333) 4.769 15.369 ( -1.004 3.233 -1.905) 3.884 15.383 ( 0.571 3.219 0.846) 3.377 15.640 ( 2.639 1.059 -0.621) 2.910 15.687 ( 3.334 -2.490 -2.580) 4.896 15.753 ( 3.680 3.292 -2.756) 5.655 15.926 ( 5.599 -12.403 0.653) 13.623 17.937 ( -0.698 5.071 0.574) 5.151 17.991 ( 0.486 0.235 -0.060) 0.543 18.032 ( -0.253 1.919 0.639) 2.039 18.066 ( 0.278 -0.569 -0.155) 0.652 18.318 ( -6.923 5.607 -0.334) 8.915 18.385 ( -5.349 -1.241 -0.763) 5.544 18.478 ( -3.750 -0.634 0.051) 3.804 18.547 ( -5.839 -6.036 -0.269) 8.402 18.619 ( 4.648 7.628 1.196) 9.012 18.745 ( 2.527 -4.180 1.228) 5.036 19.095 ( 3.184 2.938 -0.049) 4.333 19.112 ( 1.501 1.225 -3.218) 3.756 21.052 ( -0.339 1.703 5.760) 6.016 21.126 ( -3.151 -5.500 2.591) 6.847 21.632 ( -1.739 3.629 -4.262) 5.861 21.717 ( -1.486 -4.917 -3.641) 6.296 22.683 ( -5.710 1.545 -0.590) 5.945 22.729 ( -5.682 -2.069 1.536) 6.239 22.783 ( -1.676 2.890 0.116) 3.343 22.842 ( -1.400 -2.224 0.116) 2.631 22.905 ( 4.351 0.765 -0.150) 4.420 22.944 ( 4.960 1.704 0.147) 5.247 22.984 ( 2.348 -6.017 -0.355) 6.469 22.995 ( 4.780 -3.070 0.840) 5.742 ======================= Grid point 30 (19/70) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -5.692 3.630 -0.600) 6.778 2.120 ( -6.286 -9.892 -0.221) 11.722 2.397 ( 3.175 5.682 -0.139) 6.510 2.528 ( 4.824 -4.985 -0.157) 6.938 2.579 ( 0.544 6.963 2.960) 7.586 2.635 ( 5.692 7.795 -2.263) 9.914 2.756 ( -3.095 1.124 -0.296) 3.306 2.790 ( -1.624 -6.168 0.847) 6.435 2.893 ( -3.801 5.727 0.915) 6.935 2.986 ( -3.710 0.164 0.296) 3.725 3.026 ( 3.855 6.080 -5.134) 8.842 3.063 ( -3.090 -2.208 -3.164) 4.943 3.147 ( 0.308 -3.434 -1.695) 3.842 3.237 ( -6.929 -1.221 0.164) 7.038 3.264 ( -2.508 -2.410 0.085) 3.479 3.342 ( -4.789 0.312 -0.838) 4.871 3.377 ( -4.116 0.657 0.092) 4.169 3.486 ( -9.201 -0.573 3.604) 9.898 3.526 ( -4.881 -5.814 2.051) 7.863 3.554 ( 0.704 -8.742 5.754) 10.489 3.698 ( -5.960 5.726 3.461) 8.960 3.803 ( -1.118 6.373 -5.364) 8.405 3.880 ( -0.042 -2.857 1.659) 3.304 3.936 ( 3.505 -2.589 -0.622) 4.401 4.008 ( 0.294 7.139 -0.979) 7.211 4.042 ( 0.191 3.503 6.540) 7.421 4.126 ( 0.756 -3.432 -4.089) 5.392 4.212 ( 4.500 -6.871 -6.334) 10.372 4.227 ( 1.207 -1.261 -2.333) 2.913 4.248 ( -1.561 -2.020 3.381) 4.236 4.336 ( 0.212 -1.456 6.721) 6.880 4.369 ( 0.848 -7.758 0.103) 7.805 4.491 ( 2.118 0.634 -5.405) 5.839 4.576 ( -6.238 2.497 2.149) 7.054 4.677 ( -5.915 -4.654 5.140) 9.114 4.702 ( -4.764 -9.193 -5.569) 11.757 4.802 ( 13.094 2.543 -3.327) 13.747 4.919 ( 9.301 -4.567 0.016) 10.362 5.099 ( 5.131 -1.265 7.280) 8.996 5.125 ( 3.001 -4.613 6.453) 8.481 5.197 ( 3.716 4.393 -2.654) 6.336 5.289 ( 2.687 -4.206 -3.096) 5.873 5.384 ( 1.189 10.276 -1.160) 10.409 5.495 ( 3.517 2.648 0.354) 4.417 5.565 ( -0.960 -0.730 -1.855) 2.213 5.602 ( 0.953 -0.502 -2.360) 2.594 5.620 ( 2.478 3.205 -2.894) 4.979 5.718 ( -2.373 1.703 -0.292) 2.935 5.751 ( 5.201 -5.287 -9.340) 11.927 5.815 ( -1.643 -0.881 4.747) 5.100 5.884 ( 3.118 3.880 3.334) 5.991 5.971 ( 4.125 1.544 -2.160) 4.906 6.020 ( -2.604 1.771 -2.442) 3.985 6.056 ( 3.640 3.916 5.516) 7.682 6.144 ( 2.912 -3.391 0.304) 4.480 6.176 ( 5.775 -2.859 -2.394) 6.875 6.294 ( 2.244 3.677 4.103) 5.949 6.366 ( -1.845 -2.995 2.714) 4.443 6.427 ( -1.615 2.638 -2.567) 4.020 6.486 ( 1.459 -3.235 1.099) 3.715 6.601 ( -1.098 3.884 -4.147) 5.787 6.677 ( 1.178 -2.419 -3.438) 4.365 6.741 ( -2.421 4.454 -2.327) 5.578 6.747 ( -1.632 3.131 2.051) 4.083 6.908 ( -5.977 -0.567 -5.892) 8.412 6.937 ( -9.702 -0.623 -2.386) 10.010 6.967 ( -0.883 2.556 -1.822) 3.261 7.128 ( 1.252 0.434 6.360) 6.497 7.162 ( -2.937 -1.727 4.702) 5.807 7.233 ( -2.825 -9.316 -1.497) 9.849 7.308 ( -3.534 1.445 3.184) 4.971 7.333 ( -1.852 1.700 8.301) 8.674 7.397 ( -4.671 5.189 5.387) 8.818 7.446 ( -0.568 6.654 -6.760) 9.502 7.485 ( 1.411 -5.188 4.165) 6.801 7.529 ( 7.789 3.534 -4.413) 9.624 7.642 ( 7.245 -4.575 -8.097) 11.789 7.659 ( -0.704 -9.407 -4.972) 10.664 7.859 ( 5.084 -0.242 2.372) 5.615 7.946 ( -1.304 -0.705 2.303) 2.739 7.994 ( -0.884 -2.091 1.987) 3.017 8.034 ( 1.121 0.221 0.207) 1.161 8.179 ( -3.135 -0.841 0.932) 3.377 8.196 ( -10.514 -1.913 -4.191) 11.479 8.355 ( 6.338 2.575 7.069) 9.837 8.414 ( -2.105 -0.073 5.292) 5.696 8.461 ( 2.182 -0.769 -0.496) 2.366 8.549 ( 0.485 -6.839 -0.311) 6.863 8.708 ( -1.687 1.709 2.588) 3.531 8.797 ( 0.357 1.365 -6.849) 6.992 8.830 ( 0.794 -1.582 5.726) 5.994 8.922 ( -1.930 -5.726 -0.093) 6.043 8.990 ( -0.494 1.135 -1.166) 1.700 9.050 ( -1.768 -4.832 0.607) 5.181 9.161 ( 2.918 6.950 8.528) 11.382 9.291 ( -0.789 -2.185 4.725) 5.265 9.319 ( -1.208 6.868 -1.071) 7.055 9.455 ( 0.599 -2.288 -2.936) 3.770 9.642 ( 2.505 3.819 -9.678) 10.702 9.703 ( -5.265 -4.739 -4.284) 8.279 9.724 ( -0.292 -0.865 -0.500) 1.041 9.749 ( -4.234 -0.404 -4.759) 6.382 9.858 ( -6.007 1.278 0.082) 6.142 9.884 ( -5.398 -1.619 -0.729) 5.682 10.271 ( 3.773 3.820 2.807) 6.058 10.344 ( 4.434 -2.281 0.666) 5.031 10.398 ( 2.687 3.415 0.982) 4.456 10.421 ( 0.271 2.783 0.440) 2.830 10.610 ( 1.139 4.081 0.372) 4.254 10.639 ( 0.851 -0.060 2.494) 2.636 10.709 ( 5.264 -2.479 -1.901) 6.122 10.732 ( 5.770 -0.459 -1.022) 5.878 10.887 ( -0.384 2.255 -0.881) 2.451 10.942 ( -2.873 0.732 1.322) 3.246 11.015 ( -1.858 3.362 -2.585) 4.630 11.076 ( 0.707 -4.413 2.090) 4.934 11.152 ( -1.624 3.704 1.007) 4.168 11.248 ( -1.595 -3.588 -1.632) 4.252 11.258 ( -4.404 1.602 -0.747) 4.745 11.353 ( -1.313 -5.325 0.962) 5.568 11.480 ( 4.184 3.312 1.722) 5.607 11.621 ( 4.571 -7.196 1.207) 8.610 11.722 ( 2.803 2.337 -4.285) 5.628 11.761 ( 1.777 -0.112 1.904) 2.607 11.787 ( -0.157 4.350 0.551) 4.388 11.936 ( -3.656 -9.789 1.066) 10.503 12.053 ( 2.739 6.377 0.050) 6.940 12.114 ( -0.053 3.282 1.540) 3.626 12.199 ( -2.617 -4.285 -2.861) 5.779 12.206 ( 3.006 -2.254 -1.879) 4.201 12.347 ( 0.326 3.805 0.588) 3.864 12.422 ( -0.900 -3.000 1.138) 3.332 13.213 ( 0.917 3.219 1.421) 3.636 13.259 ( 0.540 -0.682 2.233) 2.396 13.388 ( -0.304 0.190 -0.187) 0.405 13.421 ( 1.128 -2.471 1.334) 3.026 13.604 ( 0.660 1.941 -1.945) 2.826 13.650 ( 0.425 -2.419 -1.462) 2.858 13.736 ( -1.089 2.563 -0.063) 2.785 13.773 ( -0.080 -1.012 0.408) 1.094 13.952 ( 1.296 1.991 1.986) 3.097 13.960 ( 0.612 1.457 2.586) 3.031 14.034 ( 0.880 2.721 -3.083) 4.205 14.068 ( 1.504 -0.358 -2.226) 2.710 14.451 ( 0.574 0.997 1.212) 1.671 14.486 ( 0.188 -2.176 2.038) 2.987 14.536 ( 0.042 2.007 -1.458) 2.481 14.572 ( -0.009 -1.443 -1.249) 1.909 15.018 ( -4.566 0.722 -0.898) 4.709 15.044 ( -3.705 -1.646 1.137) 4.211 15.280 ( -2.276 4.973 -4.800) 7.277 15.378 ( -1.837 -4.034 -3.048) 5.379 15.676 ( 4.035 3.913 -1.323) 5.775 15.711 ( 3.536 0.521 1.620) 3.924 15.919 ( 9.717 2.696 1.988) 10.278 16.037 ( 3.542 -8.430 3.088) 9.651 17.944 ( -0.133 5.163 1.134) 5.287 17.996 ( 0.975 1.991 0.522) 2.277 18.045 ( 0.379 -0.363 0.853) 1.001 18.077 ( 0.471 -3.323 0.570) 3.405 18.219 ( -3.213 4.281 -1.693) 5.614 18.292 ( -4.475 -2.379 -1.533) 5.295 18.394 ( -5.193 -0.422 0.079) 5.211 18.425 ( -6.761 -2.455 1.747) 7.402 18.715 ( 3.693 4.763 1.625) 6.242 18.782 ( 0.503 -1.208 0.815) 1.542 19.075 ( 0.307 4.979 -4.540) 6.745 19.147 ( 2.748 -1.236 -1.448) 3.343 21.115 ( -2.801 -1.784 4.942) 5.954 21.127 ( -0.320 -2.703 6.924) 7.440 21.546 ( -0.790 3.270 -5.334) 6.306 21.625 ( -2.423 -4.586 -5.597) 7.631 22.601 ( -3.288 2.491 0.056) 4.125 22.671 ( -3.389 -4.135 1.823) 5.648 22.776 ( 0.091 1.745 0.186) 1.757 22.802 ( -2.066 -1.217 -0.708) 2.500 22.978 ( 3.553 0.201 0.629) 3.614 23.016 ( 3.035 0.956 -0.192) 3.188 23.022 ( 2.180 -3.557 0.143) 4.175 23.054 ( 1.606 -2.372 -0.426) 2.896 ======================= Grid point 31 (20/70) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 0.000 2.630 0.000) 2.630 2.056 ( 0.000 -10.028 0.000) 10.028 2.425 ( 0.000 7.083 0.000) 7.083 2.570 ( -0.000 -5.980 0.000) 5.980 2.603 ( 0.000 10.032 0.000) 10.032 2.694 ( 0.000 2.255 0.000) 2.255 2.729 ( 0.000 1.075 0.000) 1.075 2.763 ( 0.000 -0.657 0.000) 0.657 2.911 ( -0.000 -2.811 0.000) 2.811 2.953 ( 0.000 0.924 0.000) 0.924 2.964 ( 0.000 3.466 0.000) 3.466 3.071 ( 0.000 -7.152 0.000) 7.152 3.096 ( -0.000 1.941 0.000) 1.941 3.222 ( 0.000 -3.640 0.000) 3.640 3.231 ( 0.000 6.595 -0.000) 6.595 3.242 ( -0.000 5.703 0.000) 5.703 3.361 ( -0.000 -7.285 0.000) 7.285 3.387 ( 0.000 -0.520 0.000) 0.520 3.507 ( 0.000 -5.103 0.000) 5.103 3.587 ( 0.000 -9.500 -0.000) 9.500 3.680 ( 0.000 1.964 0.000) 1.964 3.726 ( 0.000 8.108 -0.000) 8.108 3.865 ( 0.000 4.893 0.000) 4.893 3.972 ( 0.000 -9.033 0.000) 9.033 4.043 ( 0.000 -0.422 0.000) 0.422 4.068 ( 0.000 8.145 0.000) 8.145 4.159 ( -0.000 -9.368 -0.000) 9.368 4.168 ( 0.000 -0.020 0.000) 0.020 4.217 ( 0.000 2.783 0.000) 2.783 4.350 ( -0.000 -9.570 0.000) 9.570 4.360 ( 0.000 -0.103 -0.000) 0.103 4.383 ( 0.000 -1.793 0.000) 1.793 4.466 ( 0.000 0.563 0.000) 0.563 4.501 ( 0.000 3.062 -0.000) 3.062 4.636 ( 0.000 -4.067 -0.000) 4.067 4.641 ( -0.000 -11.236 0.000) 11.236 4.940 ( 0.000 4.894 -0.000) 4.894 4.964 ( -0.000 1.982 0.000) 1.982 5.176 ( 0.000 -0.886 -0.000) 0.886 5.225 ( -0.000 -6.209 -0.000) 6.209 5.259 ( 0.000 1.843 0.000) 1.843 5.302 ( 0.000 -5.827 0.000) 5.827 5.464 ( 0.000 4.212 0.000) 4.212 5.485 ( 0.000 -1.100 -0.000) 1.100 5.512 ( -0.000 6.502 0.000) 6.502 5.553 ( 0.000 3.577 -0.000) 3.577 5.623 ( 0.000 -3.032 -0.000) 3.032 5.630 ( -0.000 -4.279 0.000) 4.279 5.814 ( 0.000 -0.210 0.000) 0.210 5.840 ( 0.000 -1.053 0.000) 1.053 5.910 ( -0.000 8.681 -0.000) 8.681 5.927 ( 0.000 1.087 0.000) 1.087 6.095 ( 0.000 -1.278 0.000) 1.278 6.099 ( -0.000 1.238 -0.000) 1.238 6.186 ( 0.000 -0.333 0.000) 0.333 6.211 ( -0.000 -0.147 0.000) 0.147 6.339 ( 0.000 2.077 0.000) 2.077 6.371 ( -0.000 0.418 0.000) 0.418 6.405 ( 0.000 -3.497 0.000) 3.497 6.498 ( 0.000 -8.438 0.000) 8.438 6.576 ( 0.000 7.182 -0.000) 7.182 6.655 ( -0.000 4.949 -0.000) 4.949 6.720 ( 0.000 0.615 0.000) 0.615 6.729 ( 0.000 1.191 0.000) 1.191 6.762 ( 0.000 0.794 0.000) 0.794 6.839 ( 0.000 -0.840 -0.000) 0.840 6.934 ( 0.000 4.458 0.000) 4.458 7.139 ( -0.000 -11.873 0.000) 11.873 7.169 ( 0.000 5.361 0.000) 5.361 7.272 ( 0.000 -4.683 -0.000) 4.683 7.278 ( -0.000 2.657 -0.000) 2.657 7.282 ( -0.000 0.155 0.000) 0.155 7.398 ( 0.000 7.414 0.000) 7.414 7.409 ( -0.000 12.973 0.000) 12.973 7.593 ( -0.000 2.866 -0.000) 2.866 7.596 ( 0.000 -0.588 0.000) 0.588 7.643 ( -0.000 -6.533 0.000) 6.533 7.647 ( 0.000 -3.547 -0.000) 3.547 7.860 ( 0.000 -3.133 0.000) 3.133 7.939 ( -0.000 0.377 0.000) 0.377 7.956 ( 0.000 -6.002 -0.000) 6.002 8.055 ( 0.000 -12.798 0.000) 12.798 8.097 ( -0.000 2.087 0.000) 2.087 8.161 ( 0.000 -5.749 0.000) 5.749 8.438 ( -0.000 0.958 0.000) 0.958 8.477 ( 0.000 3.229 -0.000) 3.229 8.522 ( 0.000 0.719 0.000) 0.719 8.553 ( 0.000 -5.802 0.000) 5.802 8.731 ( -0.000 6.333 0.000) 6.333 8.746 ( 0.000 5.659 0.000) 5.659 8.824 ( 0.000 -3.918 -0.000) 3.918 8.895 ( 0.000 -7.594 0.000) 7.594 8.953 ( 0.000 1.349 0.000) 1.349 9.011 ( 0.000 -3.222 0.000) 3.222 9.313 ( 0.000 3.564 -0.000) 3.564 9.327 ( 0.000 3.468 0.000) 3.468 9.393 ( 0.000 0.274 0.000) 0.274 9.480 ( -0.000 2.603 -0.000) 2.603 9.496 ( -0.000 -6.690 0.000) 6.690 9.587 ( 0.000 -3.686 -0.000) 3.686 9.684 ( 0.000 2.164 0.000) 2.164 9.710 ( 0.000 3.271 0.000) 3.271 9.779 ( -0.000 -0.508 -0.000) 0.508 9.837 ( 0.000 -4.750 -0.000) 4.750 10.341 ( 0.000 3.949 0.000) 3.949 10.386 ( 0.000 2.544 0.000) 2.544 10.415 ( 0.000 -0.112 0.000) 0.112 10.437 ( -0.000 1.184 0.000) 1.184 10.645 ( -0.000 2.361 0.000) 2.361 10.670 ( 0.000 3.713 0.000) 3.713 10.707 ( 0.000 4.518 0.000) 4.518 10.753 ( 0.000 -4.507 0.000) 4.507 10.909 ( 0.000 -0.151 0.000) 0.151 10.922 ( -0.000 2.382 0.000) 2.382 11.002 ( 0.000 2.372 -0.000) 2.372 11.114 ( 0.000 -5.446 0.000) 5.446 11.147 ( -0.000 -2.039 0.000) 2.039 11.178 ( 0.000 9.230 -0.000) 9.230 11.212 ( 0.000 -7.773 0.000) 7.773 11.343 ( 0.000 -6.786 0.000) 6.786 11.539 ( 0.000 4.945 0.000) 4.945 11.650 ( 0.000 -1.119 0.000) 1.119 11.720 ( 0.000 0.382 -0.000) 0.382 11.789 ( 0.000 3.286 0.000) 3.286 11.810 ( 0.000 0.690 0.000) 0.690 11.903 ( 0.000 -11.664 0.000) 11.664 12.087 ( 0.000 0.602 0.000) 0.602 12.138 ( -0.000 -4.379 0.000) 4.379 12.143 ( 0.000 7.403 -0.000) 7.403 12.219 ( 0.000 0.048 0.000) 0.048 12.353 ( 0.000 3.009 0.000) 3.009 12.418 ( 0.000 -2.569 0.000) 2.569 13.231 ( 0.000 3.009 0.000) 3.009 13.296 ( 0.000 -2.926 0.000) 2.926 13.364 ( 0.000 3.301 -0.000) 3.301 13.436 ( 0.000 -3.525 -0.000) 3.525 13.601 ( 0.000 1.927 0.000) 1.927 13.646 ( 0.000 -2.748 0.000) 2.748 13.728 ( -0.000 3.337 0.000) 3.337 13.776 ( 0.000 -1.384 0.000) 1.384 13.988 ( 0.000 1.902 0.000) 1.902 13.993 ( -0.000 1.413 0.000) 1.413 14.008 ( 0.000 4.104 -0.000) 4.104 14.064 ( 0.000 -1.008 0.000) 1.008 14.463 ( 0.000 1.313 0.000) 1.313 14.503 ( 0.000 -2.501 0.000) 2.501 14.530 ( 0.000 1.296 0.000) 1.296 14.558 ( 0.000 -1.419 0.000) 1.419 14.964 ( -0.000 1.207 0.000) 1.207 15.009 ( 0.000 -3.274 -0.000) 3.274 15.229 ( 0.000 5.393 0.000) 5.393 15.329 ( 0.000 -4.448 0.000) 4.448 15.720 ( 0.000 5.092 0.000) 5.092 15.757 ( 0.000 0.959 -0.000) 0.959 16.037 ( 0.000 -0.691 0.000) 0.691 16.079 ( 0.000 -3.714 0.000) 3.714 17.944 ( 0.000 5.159 0.000) 5.159 18.025 ( 0.000 3.237 -0.000) 3.237 18.052 ( 0.000 -4.182 0.000) 4.182 18.110 ( 0.000 -4.111 0.000) 4.111 18.177 ( 0.000 1.528 0.000) 1.528 18.201 ( 0.000 -0.059 0.000) 0.059 18.349 ( 0.000 1.189 -0.000) 1.189 18.385 ( 0.000 -1.755 0.000) 1.755 18.767 ( -0.000 2.337 -0.000) 2.337 18.782 ( 0.000 1.733 0.000) 1.733 19.045 ( 0.000 6.140 0.000) 6.140 19.158 ( 0.000 -3.728 0.000) 3.728 21.128 ( 0.000 0.128 -0.000) 0.128 21.168 ( -0.000 -3.262 0.000) 3.262 21.515 ( 0.000 0.497 0.000) 0.497 21.550 ( -0.000 -3.069 0.000) 3.069 22.574 ( 0.000 3.375 0.000) 3.375 22.653 ( 0.000 -4.061 0.000) 4.061 22.774 ( 0.000 -0.245 0.000) 0.245 22.782 ( 0.000 -0.305 0.000) 0.305 23.024 ( 0.000 -0.461 0.000) 0.461 23.041 ( -0.000 -0.148 0.000) 0.148 23.042 ( 0.000 -2.033 -0.000) 2.033 23.054 ( 0.000 -1.457 -0.000) 1.457 ======================= Grid point 63 (21/70) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -2.558 0.000 37.198) 37.285 0.728 ( 6.569 0.000 40.277) 40.809 1.255 ( -4.597 0.000 68.381) 68.535 1.843 ( -0.857 0.000 -26.399) 26.413 2.003 ( -7.043 0.000 -29.711) 30.534 2.461 ( -1.993 0.000 3.526) 4.050 2.569 ( -18.615 0.000 7.736) 20.159 2.687 ( -13.756 0.000 7.228) 15.539 2.699 ( -2.630 0.000 2.869) 3.892 2.762 ( 9.038 0.000 6.599) 11.191 2.799 ( -0.659 0.000 5.095) 5.137 2.983 ( -8.111 0.000 4.875) 9.464 3.053 ( 3.863 0.000 2.147) 4.420 3.150 ( 6.578 0.000 -6.122) 8.986 3.345 ( -1.209 0.000 8.255) 8.343 3.411 ( -6.260 0.000 -0.440) 6.275 3.487 ( -3.929 0.000 -9.645) 10.414 3.669 ( -2.340 0.000 -35.867) 35.944 3.716 ( 2.893 0.000 -5.361) 6.092 3.766 ( 3.682 0.000 0.801) 3.768 3.789 ( -4.841 0.000 0.843) 4.913 3.857 ( -2.380 0.000 -0.509) 2.434 3.955 ( 2.515 0.000 -8.695) 9.051 4.009 ( -4.504 0.000 -16.476) 17.080 4.040 ( -0.302 0.000 -1.053) 1.095 4.131 ( -2.978 0.000 -0.351) 2.999 4.248 ( 0.932 0.000 -0.464) 1.041 4.255 ( 7.025 0.000 -3.506) 7.852 4.352 ( -4.557 0.000 2.510) 5.202 4.459 ( -6.239 0.000 -2.408) 6.688 4.543 ( 4.297 0.000 12.574) 13.288 4.669 ( 4.903 0.000 4.063) 6.367 4.728 ( -0.690 0.000 1.080) 1.281 4.789 ( -5.664 0.000 0.281) 5.671 4.868 ( -2.679 0.000 -3.097) 4.095 4.985 ( -17.398 0.000 -1.542) 17.467 5.028 ( 10.473 0.000 9.142) 13.902 5.076 ( 1.537 0.000 -4.694) 4.939 5.091 ( -3.615 0.000 -2.092) 4.177 5.179 ( 9.549 0.000 -0.203) 9.551 5.215 ( -7.574 0.000 0.228) 7.578 5.291 ( 2.724 0.000 3.070) 4.105 5.462 ( -3.727 0.000 1.672) 4.085 5.533 ( 1.993 0.000 -4.974) 5.359 5.584 ( 4.474 0.000 8.232) 9.369 5.702 ( 6.645 0.000 -5.554) 8.660 5.728 ( 1.719 0.000 -0.948) 1.963 5.783 ( -0.487 0.000 1.799) 1.864 5.784 ( -4.789 0.000 -0.281) 4.797 5.884 ( -8.828 0.000 -1.825) 9.014 5.919 ( 9.025 0.000 6.098) 10.892 6.065 ( 1.189 0.000 3.135) 3.353 6.101 ( 3.936 0.000 -0.006) 3.936 6.113 ( -3.506 0.000 -0.742) 3.584 6.138 ( -1.014 0.000 -4.592) 4.702 6.307 ( -6.785 0.000 5.791) 8.920 6.394 ( 12.974 0.000 -2.521) 13.217 6.425 ( 1.563 0.000 10.601) 10.715 6.508 ( -5.459 0.000 4.813) 7.278 6.574 ( 4.529 0.000 -3.839) 5.937 6.623 ( 4.363 0.000 -2.093) 4.839 6.628 ( -3.410 0.000 -8.044) 8.737 6.701 ( -13.230 0.000 -5.067) 14.167 6.741 ( -1.982 0.000 -1.980) 2.801 6.817 ( -1.161 0.000 -0.503) 1.265 6.864 ( 0.491 0.000 1.127) 1.230 7.046 ( -0.409 0.000 3.915) 3.937 7.061 ( -20.494 0.000 1.877) 20.580 7.098 ( -1.579 0.000 -0.759) 1.752 7.165 ( 3.535 0.000 7.197) 8.018 7.246 ( 21.140 0.000 2.054) 21.239 7.311 ( -0.783 0.000 -5.408) 5.464 7.544 ( -4.098 0.000 -3.181) 5.188 7.785 ( -17.024 0.000 11.520) 20.556 7.789 ( 3.332 0.000 5.184) 6.162 7.797 ( -4.408 0.000 -7.147) 8.397 7.840 ( -4.412 0.000 -1.435) 4.639 7.864 ( 10.454 0.000 4.089) 11.225 7.897 ( 5.352 0.000 11.227) 12.437 7.983 ( -2.450 0.000 9.262) 9.580 8.019 ( -2.965 0.000 2.602) 3.945 8.201 ( 0.749 0.000 -2.253) 2.375 8.305 ( -6.740 0.000 -7.435) 10.035 8.321 ( 0.767 0.000 -6.553) 6.598 8.366 ( 2.792 0.000 -1.751) 3.296 8.418 ( -5.066 0.000 -6.928) 8.582 8.533 ( -7.587 0.000 0.294) 7.592 8.597 ( 5.309 0.000 -4.462) 6.935 8.635 ( 0.060 0.000 6.495) 6.495 8.666 ( 4.573 0.000 3.053) 5.499 8.783 ( -7.861 0.000 -1.887) 8.084 8.828 ( -0.433 0.000 -3.242) 3.271 8.936 ( 4.176 0.000 -2.842) 5.052 8.938 ( 0.130 0.000 3.981) 3.983 9.077 ( 3.875 0.000 -4.066) 5.617 9.145 ( 2.617 0.000 0.142) 2.621 9.258 ( 10.188 0.000 -3.167) 10.669 9.354 ( 0.314 0.000 -5.303) 5.312 9.443 ( -3.393 0.000 0.082) 3.394 9.557 ( -0.121 0.000 -5.653) 5.654 9.664 ( 1.448 0.000 1.154) 1.852 9.667 ( -3.105 0.000 1.404) 3.408 9.757 ( 1.318 0.000 -2.013) 2.406 9.762 ( 5.250 0.000 -1.190) 5.383 9.788 ( -4.776 0.000 6.067) 7.722 9.932 ( 4.717 0.000 13.466) 14.268 10.043 ( -0.334 0.000 -4.290) 4.303 10.322 ( 1.481 0.000 6.393) 6.562 10.354 ( -0.194 0.000 -8.932) 8.934 10.395 ( 14.769 0.000 4.530) 15.448 10.448 ( 1.568 0.000 -1.933) 2.489 10.643 ( -0.902 0.000 -1.135) 1.450 10.873 ( -1.733 0.000 -4.054) 4.409 10.916 ( -1.150 0.000 -3.751) 3.924 11.075 ( 2.902 0.000 5.285) 6.029 11.228 ( 3.823 0.000 1.620) 4.152 11.291 ( 0.437 0.000 -2.953) 2.985 11.385 ( -4.198 0.000 6.202) 7.489 11.393 ( -8.378 0.000 -9.115) 12.380 11.642 ( -2.197 0.000 -4.602) 5.100 11.682 ( 0.783 0.000 5.467) 5.523 11.771 ( 7.559 0.000 -0.791) 7.600 11.844 ( -4.750 0.000 1.929) 5.127 11.877 ( -2.270 0.000 0.586) 2.344 11.901 ( 0.526 0.000 4.564) 4.594 11.978 ( -2.279 0.000 2.075) 3.082 12.257 ( 2.064 0.000 0.820) 2.221 12.317 ( -1.478 0.000 -2.147) 2.607 12.490 ( 19.133 0.000 -0.513) 19.140 12.516 ( -2.926 0.000 -1.804) 3.438 12.820 ( -0.544 0.000 0.784) 0.954 12.844 ( -6.917 0.000 -0.890) 6.974 12.868 ( 1.512 0.000 -0.101) 1.515 12.882 ( -5.603 0.000 -0.476) 5.624 13.000 ( -0.380 0.000 2.611) 2.638 13.114 ( -0.467 0.000 -0.486) 0.674 13.291 ( 0.724 0.000 -3.625) 3.697 13.325 ( 4.292 0.000 -2.126) 4.790 13.429 ( -2.490 0.000 3.718) 4.475 13.475 ( -0.614 0.000 3.267) 3.324 13.624 ( 1.688 0.000 1.253) 2.103 13.652 ( 1.280 0.000 -0.635) 1.429 13.799 ( 0.453 0.000 -1.227) 1.308 13.812 ( -2.495 0.000 -1.835) 3.097 14.370 ( 0.423 0.000 0.166) 0.455 14.444 ( -0.379 0.000 -2.201) 2.233 14.463 ( -1.814 0.000 4.280) 4.649 14.592 ( 1.690 0.000 -2.463) 2.987 14.835 ( 0.845 0.000 0.371) 0.922 14.867 ( 0.111 0.000 -1.507) 1.511 15.364 ( -4.760 0.000 2.767) 5.506 15.385 ( 1.832 0.000 0.498) 1.898 15.477 ( 0.510 0.000 0.799) 0.947 15.583 ( 0.357 0.000 -3.069) 3.090 17.573 ( -0.825 0.000 1.471) 1.686 17.648 ( 9.619 0.000 -1.833) 9.792 17.768 ( -4.249 0.000 -0.326) 4.261 17.778 ( 1.944 0.000 -0.420) 1.989 17.898 ( 7.241 0.000 2.477) 7.653 17.973 ( -2.542 0.000 -1.162) 2.796 18.099 ( -0.756 0.000 2.930) 3.026 18.150 ( -0.406 0.000 1.063) 1.138 18.348 ( 0.565 0.000 -2.716) 2.774 18.351 ( 3.306 0.000 -2.524) 4.159 18.599 ( 0.223 0.000 0.697) 0.732 18.611 ( -0.444 0.000 0.068) 0.449 19.101 ( 1.543 0.000 1.822) 2.387 19.208 ( -14.991 0.000 -3.060) 15.300 20.905 ( -0.132 0.000 3.477) 3.479 21.031 ( 2.111 0.000 8.385) 8.646 21.062 ( 1.222 0.000 -2.999) 3.238 21.457 ( -1.362 0.000 -10.537) 10.625 22.746 ( 1.386 0.000 2.560) 2.912 22.771 ( -0.334 0.000 0.757) 0.828 22.872 ( -0.206 0.000 0.384) 0.436 22.887 ( 0.934 0.000 -0.112) 0.941 23.137 ( -1.799 0.000 0.576) 1.889 23.194 ( 3.687 0.000 -2.541) 4.478 23.343 ( -4.565 0.000 2.777) 5.343 23.423 ( 10.077 0.000 -1.330) 10.164 ======================= Grid point 64 (22/70) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 12.267 0.000 30.397) 32.778 1.305 ( 10.596 0.000 34.658) 36.242 1.578 ( 3.407 0.000 -30.061) 30.253 1.650 ( 15.997 0.000 -27.145) 31.508 2.231 ( 24.329 0.000 47.066) 52.982 2.453 ( -7.560 0.000 1.078) 7.636 2.489 ( -3.361 0.000 9.417) 9.999 2.597 ( -0.297 0.000 -4.573) 4.583 2.724 ( -1.916 0.000 1.151) 2.235 2.786 ( -8.375 0.000 4.840) 9.673 2.928 ( -4.643 0.000 9.856) 10.895 2.942 ( 5.728 0.000 -5.851) 8.188 3.062 ( 7.020 0.000 -13.385) 15.114 3.115 ( -7.038 0.000 -5.168) 8.732 3.190 ( -6.132 0.000 -12.912) 14.294 3.304 ( 0.011 0.000 -4.076) 4.076 3.482 ( 2.847 0.000 1.885) 3.414 3.513 ( 4.866 0.000 -0.646) 4.909 3.678 ( -2.281 0.000 -1.186) 2.571 3.800 ( 1.432 0.000 0.611) 1.557 3.813 ( 1.817 0.000 -4.908) 5.233 3.827 ( 4.406 0.000 -6.824) 8.123 3.863 ( 2.582 0.000 0.612) 2.654 3.954 ( 3.547 0.000 -2.932) 4.602 4.087 ( -0.420 0.000 2.258) 2.297 4.192 ( -5.553 0.000 -0.838) 5.616 4.208 ( 4.089 0.000 -6.084) 7.331 4.277 ( -7.179 0.000 2.398) 7.569 4.300 ( 7.181 0.000 -2.006) 7.456 4.424 ( -0.036 0.000 6.292) 6.292 4.654 ( 0.623 0.000 -2.035) 2.129 4.673 ( -2.230 0.000 -2.358) 3.246 4.709 ( -3.049 0.000 2.088) 3.695 4.721 ( 2.378 0.000 8.489) 8.816 4.806 ( -3.415 0.000 -0.145) 3.418 5.044 ( 2.974 0.000 12.736) 13.078 5.065 ( 6.552 0.000 -0.957) 6.622 5.138 ( -2.230 0.000 -1.175) 2.521 5.196 ( 7.986 0.000 4.211) 9.028 5.233 ( 3.209 0.000 2.650) 4.162 5.286 ( 1.691 0.000 -0.547) 1.777 5.338 ( -2.454 0.000 -13.831) 14.047 5.440 ( 8.520 0.000 8.303) 11.896 5.475 ( 6.732 0.000 -5.660) 8.795 5.646 ( -6.093 0.000 -5.898) 8.480 5.654 ( -2.040 0.000 -2.629) 3.328 5.728 ( -6.301 0.000 1.519) 6.482 5.729 ( 3.738 0.000 6.956) 7.897 5.738 ( -7.761 0.000 -2.099) 8.040 5.813 ( -4.341 0.000 5.891) 7.318 6.000 ( -4.840 0.000 3.233) 5.821 6.015 ( -1.272 0.000 -1.052) 1.651 6.138 ( -5.058 0.000 -2.886) 5.823 6.156 ( 5.796 0.000 5.632) 8.081 6.214 ( 3.811 0.000 -0.015) 3.811 6.280 ( -17.161 0.000 -2.102) 17.289 6.351 ( -0.543 0.000 -2.072) 2.142 6.375 ( 6.539 0.000 0.485) 6.557 6.473 ( -10.500 0.000 -8.582) 13.561 6.512 ( -2.399 0.000 -7.808) 8.168 6.587 ( 16.948 0.000 -9.861) 19.608 6.631 ( 0.373 0.000 0.063) 0.378 6.723 ( -3.810 0.000 13.549) 14.075 6.737 ( 9.320 0.000 -0.373) 9.328 6.830 ( -2.648 0.000 1.646) 3.118 6.969 ( -1.140 0.000 4.666) 4.804 6.987 ( 5.862 0.000 -0.870) 5.926 7.047 ( 3.721 0.000 -0.358) 3.738 7.214 ( -3.250 0.000 2.036) 3.835 7.255 ( 7.423 0.000 -6.332) 9.757 7.306 ( 4.727 0.000 4.806) 6.741 7.336 ( -3.148 0.000 1.144) 3.350 7.539 ( -17.684 0.000 0.724) 17.699 7.581 ( -6.914 0.000 -12.858) 14.599 7.730 ( -2.501 0.000 1.709) 3.029 7.786 ( 14.390 0.000 4.113) 14.967 7.838 ( -4.460 0.000 -1.190) 4.616 7.981 ( -2.900 0.000 1.446) 3.241 8.029 ( -4.571 0.000 4.140) 6.167 8.048 ( 2.870 0.000 6.642) 7.235 8.106 ( -1.664 0.000 8.100) 8.269 8.128 ( 4.871 0.000 8.085) 9.439 8.231 ( -1.743 0.000 -1.540) 2.326 8.248 ( -3.176 0.000 -2.216) 3.873 8.338 ( 5.084 0.000 1.168) 5.217 8.377 ( 1.925 0.000 -3.804) 4.263 8.500 ( 2.259 0.000 3.230) 3.941 8.593 ( 0.408 0.000 -2.429) 2.463 8.623 ( -6.626 0.000 -0.079) 6.627 8.772 ( 8.203 0.000 2.161) 8.482 8.824 ( 8.355 0.000 2.324) 8.673 8.844 ( 2.159 0.000 2.366) 3.203 9.006 ( 2.850 0.000 0.983) 3.014 9.019 ( 9.677 0.000 -4.857) 10.827 9.090 ( 0.504 0.000 -3.158) 3.198 9.114 ( -0.414 0.000 -4.068) 4.089 9.325 ( 3.789 0.000 -1.688) 4.148 9.392 ( 11.286 0.000 -5.391) 12.507 9.479 ( 2.481 0.000 7.593) 7.988 9.523 ( 1.572 0.000 -2.113) 2.633 9.578 ( -4.022 0.000 -2.348) 4.657 9.626 ( -1.534 0.000 -2.144) 2.636 9.769 ( 2.961 0.000 -2.604) 3.943 9.814 ( 2.780 0.000 1.458) 3.139 9.916 ( 4.920 0.000 6.448) 8.111 9.962 ( -2.272 0.000 -6.619) 6.998 10.134 ( 4.968 0.000 7.163) 8.717 10.269 ( 1.535 0.000 -6.503) 6.682 10.416 ( -8.750 0.000 -9.002) 12.554 10.430 ( 4.208 0.000 1.796) 4.575 10.474 ( -1.161 0.000 -7.239) 7.332 10.602 ( 5.411 0.000 4.761) 7.207 10.783 ( -8.100 0.000 -1.790) 8.295 10.822 ( -3.759 0.000 0.490) 3.791 11.095 ( -13.381 0.000 -5.733) 14.557 11.156 ( -6.221 0.000 7.326) 9.611 11.198 ( -5.039 0.000 -5.526) 7.479 11.255 ( 3.611 0.000 6.620) 7.541 11.455 ( -0.377 0.000 4.570) 4.585 11.530 ( -8.683 0.000 -2.400) 9.009 11.685 ( 0.348 0.000 -0.756) 0.832 11.799 ( -1.076 0.000 0.147) 1.086 11.851 ( -1.509 0.000 -0.218) 1.524 11.856 ( 0.516 0.000 1.243) 1.346 12.053 ( 8.073 0.000 5.098) 9.548 12.060 ( 6.920 0.000 -0.733) 6.958 12.233 ( -4.321 0.000 -2.636) 5.062 12.310 ( 2.910 0.000 0.907) 3.048 12.434 ( -0.663 0.000 -4.314) 4.364 12.577 ( -3.149 0.000 -2.988) 4.341 12.763 ( -5.139 0.000 0.566) 5.170 12.801 ( 4.817 0.000 0.783) 4.880 12.933 ( 5.785 0.000 -1.749) 6.043 12.996 ( 9.558 0.000 2.702) 9.932 13.073 ( 4.102 0.000 4.681) 6.224 13.114 ( 2.338 0.000 -2.593) 3.491 13.281 ( 1.075 0.000 -0.119) 1.082 13.344 ( 2.174 0.000 -5.115) 5.558 13.422 ( -3.842 0.000 5.452) 6.670 13.510 ( 1.331 0.000 1.048) 1.694 13.589 ( -4.574 0.000 0.131) 4.576 13.632 ( -2.046 0.000 -1.987) 2.852 13.790 ( 1.164 0.000 -0.247) 1.190 13.797 ( -0.051 0.000 -0.559) 0.562 14.470 ( 6.289 0.000 -0.907) 6.354 14.492 ( 6.678 0.000 1.583) 6.863 14.559 ( 9.149 0.000 -4.212) 10.072 14.630 ( 5.683 0.000 -1.811) 5.965 14.855 ( 1.370 0.000 -3.214) 3.494 14.859 ( 1.379 0.000 0.749) 1.569 15.318 ( -3.409 0.000 1.649) 3.787 15.419 ( 0.070 0.000 1.903) 1.904 15.528 ( 3.776 0.000 3.910) 5.436 15.600 ( 6.422 0.000 -3.764) 7.444 17.206 ( -34.303 0.000 -5.362) 34.720 17.244 ( -35.803 0.000 6.941) 36.470 17.727 ( -3.998 0.000 1.730) 4.356 17.844 ( 2.112 0.000 -0.393) 2.148 17.992 ( 6.584 0.000 -1.559) 6.766 18.017 ( 2.255 0.000 1.788) 2.878 18.109 ( -2.005 0.000 2.672) 3.341 18.194 ( 4.389 0.000 0.415) 4.408 18.250 ( -5.068 0.000 -0.546) 5.097 18.383 ( 2.501 0.000 -2.214) 3.340 18.608 ( 0.044 0.000 1.001) 1.002 18.615 ( 1.235 0.000 -0.248) 1.260 19.014 ( -5.911 0.000 -0.876) 5.976 19.064 ( -8.461 0.000 3.396) 9.117 21.119 ( 14.589 0.000 9.453) 17.384 21.156 ( 4.321 0.000 4.659) 6.354 21.333 ( 3.603 0.000 -12.185) 12.706 21.351 ( 21.787 0.000 -8.421) 23.358 22.754 ( -3.282 0.000 -0.832) 3.386 22.757 ( -0.874 0.000 0.113) 0.881 22.899 ( 0.809 0.000 -0.590) 1.001 22.924 ( 4.950 0.000 1.922) 5.310 23.094 ( -2.558 0.000 -0.832) 2.690 23.158 ( -5.395 0.000 -0.634) 5.432 23.303 ( -0.772 0.000 -0.808) 1.118 23.427 ( -3.710 0.000 0.370) 3.728 ======================= Grid point 65 (23/70) ======================= q-point: ( 0.33 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 26.101 0.000 -9.311) 27.712 1.667 ( 24.259 0.000 -20.308) 31.638 1.722 ( 10.305 0.000 16.390) 19.361 1.929 ( 14.575 0.000 22.889) 27.136 2.233 ( -10.269 0.000 -2.831) 10.652 2.409 ( -14.357 0.000 -8.635) 16.754 2.516 ( -5.228 0.000 -2.525) 5.806 2.578 ( -6.838 0.000 -0.807) 6.885 2.662 ( -10.122 0.000 8.573) 13.265 2.802 ( -1.361 0.000 8.691) 8.797 2.815 ( -12.680 0.000 -6.718) 14.350 2.942 ( 15.728 0.000 -14.283) 21.246 3.033 ( -1.569 0.000 -3.143) 3.513 3.081 ( 8.055 0.000 -5.906) 9.988 3.223 ( 12.401 0.000 12.025) 17.274 3.381 ( 10.216 0.000 -5.644) 11.671 3.536 ( 0.688 0.000 -1.282) 1.455 3.554 ( 4.774 0.000 -2.559) 5.416 3.648 ( -7.433 0.000 10.088) 12.531 3.743 ( -1.990 0.000 -8.512) 8.742 3.759 ( -0.712 0.000 3.732) 3.800 3.885 ( 7.120 0.000 -0.954) 7.183 3.901 ( -6.999 0.000 -0.682) 7.032 4.009 ( 6.346 0.000 3.214) 7.113 4.133 ( 8.143 0.000 1.246) 8.238 4.152 ( -2.985 0.000 12.876) 13.218 4.225 ( 1.299 0.000 1.800) 2.220 4.236 ( -11.503 0.000 3.323) 11.973 4.344 ( 0.051 0.000 -2.812) 2.813 4.449 ( -4.107 0.000 3.966) 5.709 4.617 ( -9.865 0.000 -2.030) 10.072 4.619 ( 2.698 0.000 -3.791) 4.653 4.742 ( 9.112 0.000 -2.547) 9.461 4.792 ( -6.046 0.000 2.807) 6.666 4.842 ( 3.805 0.000 4.996) 6.280 5.100 ( 3.710 0.000 -2.043) 4.236 5.116 ( -5.956 0.000 10.838) 12.367 5.141 ( -2.594 0.000 -8.017) 8.426 5.166 ( 0.496 0.000 3.120) 3.159 5.278 ( -4.258 0.000 2.628) 5.004 5.315 ( 3.649 0.000 0.863) 3.750 5.426 ( -9.970 0.000 -4.788) 11.060 5.487 ( 5.827 0.000 -7.883) 9.803 5.501 ( 8.764 0.000 14.738) 17.147 5.616 ( -1.299 0.000 0.600) 1.431 5.643 ( 2.752 0.000 -3.459) 4.420 5.672 ( -5.299 0.000 3.554) 6.381 5.701 ( 0.862 0.000 8.827) 8.869 5.720 ( 1.683 0.000 0.509) 1.758 5.872 ( -18.861 0.000 -6.039) 19.804 5.880 ( 0.675 0.000 8.198) 8.226 5.918 ( -6.687 0.000 -7.769) 10.251 6.033 ( 1.742 0.000 -1.099) 2.060 6.050 ( -7.087 0.000 3.809) 8.045 6.173 ( 0.292 0.000 -2.772) 2.787 6.220 ( -1.376 0.000 -1.623) 2.128 6.302 ( 3.856 0.000 -0.722) 3.923 6.331 ( -0.631 0.000 2.667) 2.740 6.414 ( 9.591 0.000 -9.804) 13.715 6.561 ( 9.480 0.000 -2.796) 9.884 6.654 ( -13.908 0.000 4.614) 14.654 6.684 ( 4.423 0.000 -0.566) 4.459 6.754 ( 15.452 0.000 -11.252) 19.114 6.861 ( -1.481 0.000 1.431) 2.060 6.910 ( 10.131 0.000 -3.025) 10.573 7.001 ( -8.276 0.000 5.068) 9.704 7.039 ( 1.265 0.000 -6.774) 6.891 7.083 ( 6.183 0.000 1.420) 6.344 7.123 ( -1.138 0.000 -4.102) 4.257 7.147 ( -14.134 0.000 11.348) 18.125 7.213 ( 1.881 0.000 -17.979) 18.077 7.375 ( -2.417 0.000 -0.674) 2.509 7.422 ( -8.626 0.000 4.172) 9.582 7.493 ( 2.959 0.000 5.865) 6.570 7.658 ( -10.805 0.000 -4.746) 11.801 7.723 ( -0.800 0.000 3.475) 3.566 7.869 ( -5.403 0.000 -1.182) 5.531 7.923 ( -3.291 0.000 -2.710) 4.263 7.979 ( -2.924 0.000 4.282) 5.185 8.067 ( -1.763 0.000 2.209) 2.826 8.164 ( 0.775 0.000 -4.884) 4.945 8.229 ( 2.512 0.000 0.833) 2.647 8.261 ( 2.265 0.000 4.916) 5.413 8.317 ( 7.011 0.000 7.997) 10.635 8.407 ( -0.661 0.000 2.502) 2.588 8.422 ( 1.779 0.000 1.979) 2.661 8.520 ( -9.972 0.000 10.934) 14.798 8.634 ( 6.182 0.000 -3.826) 7.270 8.718 ( 7.635 0.000 4.188) 8.708 8.867 ( -1.057 0.000 -2.268) 2.502 8.911 ( 6.387 0.000 1.180) 6.495 8.919 ( -1.276 0.000 0.164) 1.287 8.978 ( -0.878 0.000 -0.582) 1.053 9.032 ( -3.679 0.000 4.569) 5.866 9.119 ( 9.252 0.000 -3.821) 10.010 9.314 ( 11.947 0.000 0.218) 11.949 9.399 ( -0.691 0.000 0.705) 0.987 9.399 ( 0.049 0.000 0.567) 0.569 9.536 ( 0.282 0.000 -6.191) 6.198 9.576 ( 3.748 0.000 -0.489) 3.779 9.651 ( 12.413 0.000 7.983) 14.759 9.693 ( 12.984 0.000 0.386) 12.990 9.797 ( 2.642 0.000 -4.627) 5.328 9.842 ( -0.176 0.000 0.169) 0.244 9.902 ( 2.318 0.000 0.295) 2.336 10.053 ( -9.998 0.000 -11.747) 15.426 10.088 ( 5.987 0.000 4.142) 7.280 10.223 ( -1.581 0.000 -4.031) 4.330 10.258 ( 2.830 0.000 1.784) 3.345 10.422 ( -4.465 0.000 -4.231) 6.151 10.455 ( -0.197 0.000 -1.272) 1.288 10.660 ( -6.473 0.000 5.485) 8.485 10.704 ( -5.124 0.000 -2.523) 5.711 10.722 ( 2.826 0.000 -5.421) 6.113 10.847 ( -6.667 0.000 3.189) 7.390 11.056 ( -4.656 0.000 -2.169) 5.137 11.170 ( -2.158 0.000 4.427) 4.925 11.351 ( -9.847 0.000 1.185) 9.918 11.390 ( 1.435 0.000 3.460) 3.745 11.418 ( -4.527 0.000 0.918) 4.619 11.662 ( 2.883 0.000 -7.176) 7.733 11.752 ( -1.345 0.000 -6.350) 6.491 11.816 ( -2.036 0.000 1.180) 2.353 11.893 ( -0.116 0.000 3.777) 3.779 12.131 ( -1.370 0.000 -0.463) 1.446 12.180 ( 3.797 0.000 2.140) 4.358 12.246 ( 8.156 0.000 3.412) 8.842 12.346 ( 0.855 0.000 -1.031) 1.340 12.427 ( 2.629 0.000 -1.437) 2.996 12.469 ( -5.688 0.000 -1.885) 5.992 12.698 ( -3.144 0.000 1.750) 3.598 12.875 ( 1.465 0.000 2.347) 2.766 13.016 ( 8.781 0.000 -6.718) 11.056 13.106 ( 2.287 0.000 -4.927) 5.432 13.179 ( 5.214 0.000 3.310) 6.176 13.218 ( 4.904 0.000 1.271) 5.066 13.298 ( 0.182 0.000 -1.150) 1.164 13.373 ( 5.918 0.000 6.190) 8.563 13.424 ( -5.644 0.000 7.792) 9.622 13.478 ( -3.372 0.000 -6.871) 7.654 13.511 ( -3.159 0.000 -0.984) 3.308 13.587 ( -0.166 0.000 -0.042) 0.172 13.781 ( -0.947 0.000 0.107) 0.953 13.815 ( 1.514 0.000 -0.270) 1.538 14.587 ( 6.383 0.000 -1.226) 6.500 14.619 ( 3.693 0.000 -0.781) 3.775 14.635 ( 6.855 0.000 -0.043) 6.855 14.741 ( 0.869 0.000 4.425) 4.509 14.882 ( 6.823 0.000 3.555) 7.693 14.901 ( 2.605 0.000 0.941) 2.770 15.282 ( -2.581 0.000 0.999) 2.768 15.427 ( -1.402 0.000 1.607) 2.132 15.707 ( 11.321 0.000 -5.365) 12.528 15.737 ( 13.610 0.000 7.296) 15.442 16.451 ( -33.474 0.000 -17.338) 37.698 16.731 ( -31.101 0.000 4.236) 31.388 17.688 ( -3.487 0.000 2.932) 4.556 17.877 ( 3.117 0.000 -1.432) 3.431 18.047 ( -1.796 0.000 -0.432) 1.847 18.049 ( -0.119 0.000 1.415) 1.420 18.123 ( 3.329 0.000 0.684) 3.398 18.172 ( -1.153 0.000 -3.021) 3.233 18.296 ( 3.858 0.000 2.271) 4.477 18.376 ( 0.658 0.000 -2.572) 2.654 18.631 ( 0.992 0.000 1.464) 1.769 18.650 ( 3.140 0.000 -0.479) 3.177 18.915 ( -3.717 0.000 -2.009) 4.225 18.947 ( -8.230 0.000 2.415) 8.577 21.234 ( 3.316 0.000 -3.258) 4.648 21.261 ( 4.356 0.000 -7.888) 9.011 21.511 ( 7.022 0.000 14.489) 16.101 21.589 ( 11.039 0.000 2.406) 11.298 22.662 ( -3.681 0.000 -1.571) 4.002 22.744 ( -1.275 0.000 -0.014) 1.275 22.905 ( -0.069 0.000 0.667) 0.671 23.010 ( 2.347 0.000 -0.728) 2.458 23.061 ( 1.888 0.000 -2.935) 3.490 23.069 ( -2.499 0.000 -0.221) 2.509 23.288 ( 1.180 0.000 -2.311) 2.595 23.351 ( -5.806 0.000 1.031) 5.896 ======================= Grid point 66 (24/70) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -21.138 0.000 -1.895) 21.223 1.803 ( -8.244 0.000 -8.892) 12.125 1.996 ( 6.434 0.000 -14.483) 15.848 2.020 ( 28.728 0.000 -7.413) 29.669 2.220 ( -8.022 0.000 4.314) 9.109 2.255 ( 4.814 0.000 -0.189) 4.818 2.398 ( -4.111 0.000 12.142) 12.819 2.486 ( -10.476 0.000 12.260) 16.127 2.612 ( -0.594 0.000 -2.523) 2.592 2.698 ( 5.239 0.000 -6.483) 8.335 2.857 ( 0.648 0.000 14.704) 14.719 3.008 ( -5.723 0.000 4.397) 7.217 3.097 ( 0.687 0.000 8.728) 8.755 3.304 ( 3.129 0.000 -0.983) 3.280 3.306 ( -0.152 0.000 -4.945) 4.947 3.452 ( 24.456 0.000 -6.249) 25.242 3.548 ( -7.703 0.000 -9.243) 12.032 3.549 ( -0.651 0.000 -1.997) 2.100 3.570 ( 16.556 0.000 -12.577) 20.791 3.648 ( -27.648 0.000 -4.376) 27.993 3.736 ( -1.410 0.000 -1.332) 1.939 3.857 ( 2.605 0.000 -1.497) 3.005 4.016 ( 2.990 0.000 6.064) 6.761 4.027 ( 7.853 0.000 7.856) 11.108 4.103 ( -1.684 0.000 4.239) 4.561 4.168 ( -6.261 0.000 5.217) 8.150 4.242 ( -2.450 0.000 3.273) 4.089 4.349 ( -3.831 0.000 -3.627) 5.275 4.360 ( -0.917 0.000 3.605) 3.719 4.385 ( 10.451 0.000 4.172) 11.253 4.451 ( -8.622 0.000 2.942) 9.110 4.558 ( -0.309 0.000 -6.390) 6.397 4.735 ( -3.309 0.000 -7.993) 8.650 4.775 ( 1.707 0.000 2.766) 3.251 4.901 ( 0.058 0.000 4.970) 4.970 5.098 ( -14.270 0.000 10.020) 17.436 5.128 ( 7.139 0.000 1.625) 7.322 5.136 ( 0.290 0.000 -7.926) 7.931 5.219 ( 0.822 0.000 0.899) 1.218 5.244 ( -7.144 0.000 -4.892) 8.658 5.254 ( 0.647 0.000 1.910) 2.017 5.429 ( -1.132 0.000 9.992) 10.056 5.477 ( 1.600 0.000 -7.124) 7.302 5.523 ( 7.675 0.000 8.678) 11.585 5.637 ( 1.986 0.000 -3.879) 4.358 5.689 ( 5.205 0.000 2.995) 6.005 5.711 ( -6.605 0.000 0.407) 6.618 5.736 ( 0.258 0.000 -3.483) 3.493 5.758 ( -0.542 0.000 12.003) 12.015 5.795 ( -3.410 0.000 -2.185) 4.050 5.856 ( 1.500 0.000 1.913) 2.431 5.936 ( -3.686 0.000 1.492) 3.977 6.003 ( -4.872 0.000 6.559) 8.171 6.074 ( 14.610 0.000 14.551) 20.620 6.097 ( -8.571 0.000 -10.954) 13.909 6.234 ( 4.620 0.000 6.098) 7.651 6.257 ( -9.386 0.000 -8.380) 12.582 6.388 ( 4.102 0.000 3.321) 5.278 6.513 ( 1.244 0.000 0.231) 1.265 6.618 ( 0.853 0.000 -3.122) 3.237 6.623 ( 10.795 0.000 -2.828) 11.159 6.751 ( -4.515 0.000 -4.243) 6.196 6.778 ( 2.350 0.000 6.539) 6.948 6.836 ( 10.402 0.000 -16.853) 19.805 6.862 ( -0.468 0.000 -13.700) 13.708 6.890 ( -2.946 0.000 0.313) 2.962 6.970 ( 5.841 0.000 -10.469) 11.989 7.015 ( -12.637 0.000 7.147) 14.518 7.105 ( -0.163 0.000 -6.604) 6.606 7.217 ( 5.780 0.000 -0.240) 5.785 7.232 ( 8.941 0.000 -1.480) 9.063 7.293 ( -8.014 0.000 -3.213) 8.634 7.311 ( -7.412 0.000 6.474) 9.841 7.500 ( 6.823 0.000 -4.467) 8.155 7.616 ( 1.467 0.000 7.268) 7.414 7.708 ( 0.233 0.000 1.831) 1.846 7.790 ( -3.962 0.000 3.660) 5.394 7.937 ( 2.146 0.000 -2.358) 3.188 7.992 ( -0.921 0.000 -0.141) 0.932 8.061 ( -0.141 0.000 -2.479) 2.483 8.122 ( -1.029 0.000 1.309) 1.665 8.253 ( -3.179 0.000 -1.478) 3.506 8.257 ( 1.942 0.000 -1.040) 2.202 8.296 ( -1.016 0.000 -5.202) 5.300 8.428 ( -1.249 0.000 9.720) 9.800 8.516 ( -11.839 0.000 19.299) 22.641 8.599 ( -1.650 0.000 6.524) 6.729 8.704 ( -8.175 0.000 -5.253) 9.717 8.723 ( 6.750 0.000 -0.566) 6.774 8.801 ( 1.448 0.000 -5.807) 5.984 8.849 ( -1.147 0.000 -5.157) 5.283 8.946 ( -1.595 0.000 -3.100) 3.486 9.017 ( -3.276 0.000 2.428) 4.078 9.038 ( 4.883 0.000 6.753) 8.334 9.219 ( 4.838 0.000 -1.037) 4.948 9.372 ( -1.156 0.000 -4.635) 4.777 9.373 ( -6.269 0.000 7.915) 10.096 9.436 ( 2.575 0.000 3.911) 4.683 9.597 ( 5.466 0.000 1.034) 5.563 9.620 ( 0.996 0.000 0.470) 1.101 9.658 ( -8.011 0.000 -7.135) 10.728 9.748 ( -1.392 0.000 -6.560) 6.706 9.840 ( 3.949 0.000 -4.283) 5.826 9.844 ( -2.300 0.000 -4.297) 4.874 9.959 ( 0.052 0.000 6.885) 6.886 10.089 ( 9.732 0.000 1.548) 9.854 10.098 ( -5.483 0.000 -3.660) 6.592 10.216 ( 5.563 0.000 7.770) 9.556 10.293 ( 8.189 0.000 -3.585) 8.939 10.336 ( -2.941 0.000 0.493) 2.982 10.442 ( 0.259 0.000 0.348) 0.434 10.512 ( -6.604 0.000 -5.129) 8.362 10.673 ( 3.350 0.000 -1.671) 3.744 10.691 ( 0.713 0.000 -2.281) 2.390 11.011 ( 9.327 0.000 9.004) 12.964 11.041 ( -0.660 0.000 9.052) 9.076 11.114 ( -6.482 0.000 -1.009) 6.560 11.255 ( -1.436 0.000 -0.545) 1.536 11.267 ( -3.740 0.000 -6.404) 7.416 11.456 ( -1.455 0.000 -0.443) 1.521 11.637 ( 2.417 0.000 -5.122) 5.664 11.659 ( 1.896 0.000 -7.277) 7.520 11.821 ( 0.034 0.000 2.676) 2.677 11.917 ( -0.762 0.000 1.218) 1.436 12.147 ( 2.487 0.000 2.836) 3.771 12.271 ( -0.023 0.000 5.485) 5.485 12.285 ( -7.654 0.000 -1.451) 7.790 12.354 ( -0.068 0.000 -3.353) 3.353 12.411 ( 4.987 0.000 1.435) 5.189 12.446 ( 0.923 0.000 -1.319) 1.610 12.708 ( -0.601 0.000 4.782) 4.820 12.901 ( -0.863 0.000 0.883) 1.234 13.055 ( 3.034 0.000 -7.197) 7.811 13.087 ( 2.009 0.000 -4.276) 4.725 13.169 ( 1.237 0.000 -4.097) 4.280 13.259 ( -3.616 0.000 0.406) 3.638 13.314 ( -1.029 0.000 -3.251) 3.410 13.358 ( -8.018 0.000 3.874) 8.905 13.434 ( 3.424 0.000 6.378) 7.239 13.496 ( -0.250 0.000 2.227) 2.241 13.538 ( 4.785 0.000 3.333) 5.831 13.565 ( -1.649 0.000 -2.136) 2.699 13.785 ( 0.524 0.000 1.224) 1.332 13.823 ( 0.135 0.000 -0.859) 0.870 14.609 ( -1.303 0.000 -1.951) 2.346 14.629 ( 0.323 0.000 -2.402) 2.423 14.735 ( -1.917 0.000 1.507) 2.438 14.760 ( 3.437 0.000 2.241) 4.103 15.008 ( 4.963 0.000 9.063) 10.333 15.108 ( -1.231 0.000 16.696) 16.741 15.254 ( -1.120 0.000 0.432) 1.200 15.411 ( -2.244 0.000 1.340) 2.613 15.769 ( -17.488 0.000 -13.978) 22.388 15.796 ( 7.196 0.000 -10.645) 12.849 16.191 ( 25.198 0.000 4.493) 25.596 16.335 ( -14.206 0.000 -3.515) 14.634 17.682 ( -1.771 0.000 4.100) 4.466 17.880 ( 0.402 0.000 -4.630) 4.647 18.010 ( -0.234 0.000 0.379) 0.445 18.055 ( -0.153 0.000 0.287) 0.325 18.134 ( -0.723 0.000 -1.559) 1.719 18.169 ( 0.095 0.000 0.262) 0.279 18.342 ( -0.712 0.000 0.680) 0.985 18.372 ( 1.780 0.000 -1.445) 2.292 18.655 ( -1.437 0.000 1.743) 2.259 18.696 ( 1.766 0.000 -0.210) 1.778 18.856 ( -3.500 0.000 0.400) 3.523 18.882 ( 3.113 0.000 -0.810) 3.217 21.202 ( -1.246 0.000 -4.755) 4.916 21.230 ( 0.986 0.000 -6.581) 6.655 21.668 ( -5.131 0.000 11.932) 12.989 21.778 ( 4.976 0.000 6.744) 8.381 22.648 ( 1.987 0.000 1.536) 2.512 22.714 ( -0.699 0.000 -1.163) 1.356 22.915 ( -0.467 0.000 1.843) 1.901 23.008 ( 0.679 0.000 -0.922) 1.145 23.034 ( -1.736 0.000 -3.171) 3.615 23.083 ( 4.498 0.000 -4.397) 6.290 23.271 ( -4.488 0.000 0.954) 4.588 23.300 ( 2.197 0.000 -0.648) 2.291 ======================= Grid point 67 (25/70) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -31.390 0.000 -0.389) 31.392 1.273 ( -35.702 0.000 2.268) 35.774 2.078 ( -24.044 0.000 -8.314) 25.441 2.190 ( -0.735 0.000 12.834) 12.855 2.257 ( 15.306 0.000 -10.731) 18.693 2.331 ( 14.021 0.000 -5.400) 15.025 2.418 ( -11.063 0.000 8.621) 14.025 2.491 ( 1.441 0.000 2.496) 2.882 2.535 ( -9.586 0.000 0.275) 9.590 2.662 ( -14.027 0.000 -0.283) 14.030 2.785 ( 9.229 0.000 -5.353) 10.669 2.927 ( -0.249 0.000 -3.274) 3.284 3.024 ( -10.324 0.000 8.027) 13.078 3.223 ( -11.623 0.000 -9.259) 14.860 3.298 ( -4.398 0.000 4.737) 6.464 3.391 ( 14.685 0.000 -6.636) 16.115 3.445 ( 12.036 0.000 -0.339) 12.041 3.601 ( 4.774 0.000 9.441) 10.579 3.658 ( 12.872 0.000 -7.916) 15.112 3.799 ( 5.540 0.000 -0.971) 5.625 3.831 ( 0.749 0.000 2.210) 2.334 3.952 ( -0.949 0.000 -2.924) 3.074 3.999 ( -9.757 0.000 2.685) 10.120 4.066 ( 3.428 0.000 4.198) 5.420 4.212 ( -2.802 0.000 11.165) 11.512 4.246 ( 5.022 0.000 0.206) 5.026 4.259 ( -2.484 0.000 -3.546) 4.329 4.278 ( 3.564 0.000 0.511) 3.600 4.436 ( 2.374 0.000 6.729) 7.136 4.445 ( 8.451 0.000 2.096) 8.707 4.527 ( 4.682 0.000 -3.040) 5.583 4.536 ( 1.464 0.000 -6.425) 6.590 4.677 ( 4.830 0.000 9.396) 10.565 4.771 ( -2.183 0.000 -4.890) 5.355 4.905 ( -12.474 0.000 9.317) 15.569 4.988 ( -11.071 0.000 12.614) 16.784 5.076 ( 6.006 0.000 -10.110) 11.759 5.115 ( 2.119 0.000 2.996) 3.670 5.219 ( -1.613 0.000 -1.366) 2.114 5.245 ( -4.222 0.000 3.126) 5.254 5.294 ( 7.165 0.000 0.660) 7.196 5.448 ( -5.399 0.000 -6.364) 8.345 5.467 ( -4.781 0.000 -0.524) 4.810 5.520 ( -4.882 0.000 -10.936) 11.977 5.575 ( 0.452 0.000 3.006) 3.040 5.706 ( 2.906 0.000 2.644) 3.929 5.758 ( 2.387 0.000 -6.517) 6.940 5.786 ( -12.240 0.000 1.934) 12.392 5.817 ( 5.629 0.000 8.773) 10.424 5.859 ( 9.049 0.000 10.577) 13.920 5.919 ( -2.148 0.000 -1.204) 2.463 5.953 ( 5.336 0.000 4.014) 6.677 5.998 ( 1.174 0.000 3.201) 3.409 6.014 ( 2.306 0.000 5.477) 5.942 6.077 ( 1.212 0.000 -3.498) 3.702 6.257 ( 0.286 0.000 4.161) 4.171 6.353 ( -2.921 0.000 -9.993) 10.411 6.436 ( -2.411 0.000 -2.228) 3.283 6.502 ( -0.375 0.000 3.510) 3.530 6.543 ( 1.855 0.000 -7.015) 7.256 6.616 ( -3.937 0.000 -11.295) 11.961 6.640 ( 0.633 0.000 -8.067) 8.092 6.756 ( -5.478 0.000 1.921) 5.805 6.799 ( 4.345 0.000 -1.185) 4.504 6.810 ( -0.203 0.000 2.422) 2.431 6.861 ( -1.311 0.000 -0.101) 1.314 6.916 ( -1.232 0.000 -2.698) 2.966 7.051 ( 7.242 0.000 -5.245) 8.942 7.104 ( -0.418 0.000 10.370) 10.378 7.241 ( 10.646 0.000 -10.173) 14.725 7.320 ( 2.821 0.000 -0.146) 2.825 7.348 ( 6.810 0.000 6.981) 9.753 7.352 ( 4.316 0.000 0.809) 4.391 7.526 ( 7.834 0.000 -8.380) 11.471 7.743 ( 6.907 0.000 -0.459) 6.922 7.756 ( 0.176 0.000 -3.094) 3.099 7.838 ( -1.351 0.000 3.500) 3.752 7.862 ( 0.213 0.000 1.889) 1.901 7.999 ( -6.103 0.000 -2.524) 6.605 8.040 ( 7.257 0.000 5.889) 9.346 8.075 ( -4.111 0.000 -3.009) 5.095 8.209 ( 0.002 0.000 1.195) 1.195 8.273 ( 0.940 0.000 -4.700) 4.793 8.334 ( 5.952 0.000 1.942) 6.261 8.452 ( -11.686 0.000 2.953) 12.053 8.505 ( -13.616 0.000 25.368) 28.791 8.577 ( -1.834 0.000 10.896) 11.049 8.635 ( -1.985 0.000 4.976) 5.358 8.770 ( -2.521 0.000 -3.295) 4.149 8.772 ( 1.921 0.000 -2.539) 3.184 8.827 ( 4.398 0.000 -0.021) 4.398 8.852 ( -5.761 0.000 -0.827) 5.820 8.967 ( -4.011 0.000 -1.330) 4.226 9.116 ( -0.868 0.000 -6.379) 6.438 9.242 ( -8.083 0.000 -3.619) 8.857 9.261 ( -0.738 0.000 1.680) 1.835 9.319 ( -8.333 0.000 3.154) 8.910 9.389 ( -7.167 0.000 -0.697) 7.201 9.577 ( 1.300 0.000 8.864) 8.959 9.612 ( -1.546 0.000 -2.105) 2.611 9.632 ( -1.415 0.000 -6.117) 6.279 9.685 ( 2.382 0.000 -1.130) 2.637 9.708 ( -2.232 0.000 -0.088) 2.234 9.850 ( -2.093 0.000 -3.026) 3.679 9.947 ( -7.452 0.000 -2.278) 7.793 10.040 ( 4.552 0.000 7.203) 8.520 10.181 ( -8.943 0.000 -7.913) 11.942 10.244 ( 8.039 0.000 -1.636) 8.204 10.339 ( -0.852 0.000 -1.720) 1.919 10.464 ( 2.141 0.000 0.061) 2.141 10.497 ( 4.649 0.000 -12.292) 13.142 10.507 ( 12.038 0.000 7.538) 14.203 10.661 ( 4.835 0.000 1.172) 4.975 10.717 ( 3.912 0.000 -2.380) 4.579 10.976 ( -3.849 0.000 -3.233) 5.027 11.166 ( -2.227 0.000 -3.647) 4.274 11.195 ( 1.863 0.000 8.536) 8.737 11.235 ( 5.242 0.000 6.501) 8.351 11.357 ( 13.196 0.000 3.610) 13.680 11.409 ( 1.518 0.000 -2.513) 2.936 11.607 ( -0.808 0.000 -3.742) 3.828 11.619 ( 2.029 0.000 -7.092) 7.376 11.874 ( 1.006 0.000 3.566) 3.706 11.901 ( -0.120 0.000 -2.081) 2.084 12.109 ( -9.016 0.000 -0.700) 9.044 12.221 ( -4.126 0.000 4.235) 5.913 12.284 ( -1.177 0.000 3.115) 3.330 12.313 ( -0.996 0.000 -2.200) 2.415 12.465 ( 4.253 0.000 -1.062) 4.384 12.482 ( 2.211 0.000 -2.484) 3.325 12.763 ( -0.562 0.000 5.715) 5.743 12.868 ( -0.286 0.000 -4.887) 4.895 12.971 ( -3.380 0.000 -0.396) 3.403 13.038 ( -4.610 0.000 -4.810) 6.663 13.126 ( -1.362 0.000 -1.506) 2.031 13.213 ( -4.026 0.000 3.909) 5.611 13.269 ( 0.756 0.000 0.285) 0.808 13.383 ( 0.739 0.000 5.257) 5.309 13.478 ( -3.539 0.000 -3.769) 5.170 13.492 ( -2.234 0.000 2.079) 3.052 13.540 ( 1.366 0.000 1.691) 2.173 13.609 ( 2.654 0.000 -1.424) 3.012 13.807 ( -0.525 0.000 -0.762) 0.925 13.808 ( 0.557 0.000 0.491) 0.743 14.539 ( -5.363 0.000 -0.157) 5.366 14.566 ( -4.301 0.000 -0.445) 4.324 14.717 ( -2.706 0.000 0.472) 2.747 14.803 ( 1.791 0.000 -0.875) 1.993 15.042 ( -9.839 0.000 -2.815) 10.234 15.276 ( 5.949 0.000 15.579) 16.676 15.332 ( -1.100 0.000 10.596) 10.653 15.417 ( -3.806 0.000 16.921) 17.344 15.505 ( -3.063 0.000 -3.320) 4.518 15.685 ( -1.422 0.000 -13.539) 13.614 16.123 ( 3.574 0.000 -26.910) 27.146 16.738 ( 32.046 0.000 2.582) 32.149 17.721 ( -0.248 0.000 5.323) 5.329 17.829 ( 0.506 0.000 -3.762) 3.796 18.033 ( 1.483 0.000 0.494) 1.563 18.064 ( 1.912 0.000 -0.596) 2.003 18.085 ( -4.563 0.000 -0.259) 4.570 18.134 ( -4.117 0.000 0.542) 4.152 18.313 ( -2.432 0.000 0.760) 2.548 18.380 ( 0.953 0.000 -2.390) 2.573 18.630 ( -2.481 0.000 0.996) 2.673 18.670 ( -3.354 0.000 -0.099) 3.355 18.883 ( 6.018 0.000 -0.488) 6.038 18.982 ( 7.044 0.000 0.909) 7.103 21.099 ( -5.635 0.000 -1.728) 5.894 21.135 ( -5.793 0.000 -2.713) 6.397 21.661 ( -7.062 0.000 6.164) 9.374 21.930 ( 4.371 0.000 7.078) 8.319 22.709 ( 2.468 0.000 -2.954) 3.850 22.723 ( 3.139 0.000 1.209) 3.364 22.935 ( -4.326 0.000 -2.748) 5.125 22.935 ( -0.320 0.000 3.537) 3.551 23.039 ( 4.384 0.000 -1.264) 4.562 23.073 ( 1.166 0.000 -6.721) 6.822 23.218 ( -2.539 0.000 -0.835) 2.673 23.336 ( 1.443 0.000 1.009) 1.760 ======================= Grid point 68 (26/70) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -32.809 0.000 16.799) 36.860 0.711 ( -38.387 0.000 8.365) 39.288 1.213 ( -58.476 0.000 29.985) 65.716 2.176 ( -5.823 0.000 -18.655) 19.542 2.332 ( -1.048 0.000 -10.059) 10.113 2.443 ( 8.262 0.000 14.779) 16.932 2.526 ( 0.938 0.000 -8.808) 8.858 2.538 ( -2.029 0.000 14.889) 15.027 2.550 ( 17.952 0.000 -1.207) 17.992 2.691 ( 4.115 0.000 3.591) 5.462 2.738 ( -5.313 0.000 -0.725) 5.362 2.951 ( 5.863 0.000 -0.407) 5.877 3.092 ( 7.122 0.000 -6.567) 9.688 3.105 ( 1.768 0.000 13.876) 13.989 3.299 ( -2.798 0.000 5.449) 6.125 3.372 ( 2.298 0.000 -8.484) 8.790 3.683 ( 6.656 0.000 -4.286) 7.917 3.756 ( -1.697 0.000 -1.641) 2.360 3.761 ( 1.125 0.000 -5.234) 5.353 3.794 ( 3.559 0.000 1.104) 3.726 3.820 ( 11.353 0.000 -8.974) 14.472 3.918 ( -5.774 0.000 2.571) 6.321 3.985 ( 6.318 0.000 -0.248) 6.323 4.103 ( 2.429 0.000 -5.302) 5.832 4.200 ( -6.722 0.000 5.055) 8.411 4.219 ( 3.013 0.000 -3.756) 4.815 4.236 ( -4.396 0.000 -3.303) 5.498 4.276 ( 1.089 0.000 1.278) 1.679 4.490 ( -8.659 0.000 2.183) 8.930 4.501 ( 3.782 0.000 4.565) 5.928 4.531 ( -7.544 0.000 -7.015) 10.301 4.538 ( 0.811 0.000 -5.757) 5.814 4.728 ( 9.091 0.000 2.355) 9.392 4.858 ( 2.041 0.000 7.285) 7.565 4.891 ( -14.677 0.000 2.638) 14.912 4.947 ( -0.002 0.000 15.017) 15.017 5.052 ( -0.796 0.000 -8.869) 8.905 5.132 ( -5.469 0.000 -8.876) 10.425 5.142 ( -5.229 0.000 -3.607) 6.353 5.203 ( -2.623 0.000 5.464) 6.061 5.254 ( -0.842 0.000 1.879) 2.059 5.380 ( 4.476 0.000 2.832) 5.297 5.388 ( 2.234 0.000 3.521) 4.170 5.549 ( -5.300 0.000 1.638) 5.547 5.569 ( -5.346 0.000 4.488) 6.981 5.631 ( 4.809 0.000 0.551) 4.840 5.768 ( 2.830 0.000 -7.647) 8.154 5.803 ( -1.847 0.000 2.166) 2.846 5.867 ( -0.107 0.000 -4.840) 4.841 5.900 ( -4.225 0.000 -10.626) 11.436 5.956 ( 0.195 0.000 7.952) 7.954 6.032 ( 7.598 0.000 -0.302) 7.604 6.080 ( -4.180 0.000 0.966) 4.290 6.177 ( 4.110 0.000 -1.010) 4.233 6.186 ( -0.785 0.000 2.605) 2.720 6.220 ( 6.694 0.000 0.604) 6.721 6.282 ( 10.261 0.000 -5.506) 11.645 6.361 ( -4.349 0.000 -5.753) 7.212 6.405 ( 2.448 0.000 5.987) 6.468 6.461 ( 7.364 0.000 -6.130) 9.581 6.531 ( -4.481 0.000 -1.398) 4.694 6.687 ( 2.535 0.000 5.856) 6.381 6.725 ( 2.654 0.000 2.694) 3.782 6.785 ( -0.815 0.000 -3.682) 3.771 6.879 ( 4.195 0.000 -5.952) 7.282 6.926 ( 4.432 0.000 5.209) 6.839 6.940 ( -2.744 0.000 4.222) 5.035 7.075 ( 1.524 0.000 -1.156) 1.913 7.084 ( -4.308 0.000 2.535) 4.998 7.247 ( -4.453 0.000 -6.576) 7.942 7.281 ( 1.916 0.000 -2.449) 3.109 7.575 ( 20.162 0.000 -0.841) 20.179 7.627 ( 7.815 0.000 11.728) 14.094 7.661 ( 7.800 0.000 4.214) 8.866 7.710 ( -1.674 0.000 -9.140) 9.292 7.813 ( 4.742 0.000 -2.045) 5.164 7.844 ( 2.990 0.000 -2.203) 3.714 7.850 ( -1.543 0.000 4.562) 4.815 7.948 ( -12.937 0.000 8.353) 15.399 7.979 ( 1.780 0.000 2.420) 3.004 8.211 ( 0.161 0.000 -5.656) 5.658 8.272 ( 6.524 0.000 -2.655) 7.043 8.322 ( 7.220 0.000 6.244) 9.546 8.326 ( -1.079 0.000 -1.450) 1.807 8.400 ( 0.195 0.000 -2.386) 2.394 8.526 ( -5.343 0.000 -3.282) 6.270 8.601 ( -5.752 0.000 -1.316) 5.901 8.634 ( -7.447 0.000 5.471) 9.241 8.721 ( -9.706 0.000 0.617) 9.725 8.744 ( -7.005 0.000 2.673) 7.497 8.841 ( 1.846 0.000 3.237) 3.726 8.847 ( -4.348 0.000 8.296) 9.366 8.870 ( -2.131 0.000 13.018) 13.191 8.953 ( -2.784 0.000 -5.387) 6.064 9.121 ( -0.974 0.000 -3.098) 3.247 9.184 ( -3.546 0.000 -2.484) 4.329 9.237 ( -7.042 0.000 -6.252) 9.417 9.355 ( 3.611 0.000 -3.293) 4.886 9.535 ( -0.137 0.000 -9.785) 9.786 9.631 ( -0.993 0.000 -3.139) 3.292 9.637 ( 0.755 0.000 5.714) 5.764 9.691 ( -5.150 0.000 -11.197) 12.324 9.692 ( -2.824 0.000 4.877) 5.635 9.778 ( -1.138 0.000 -2.730) 2.958 9.799 ( -6.147 0.000 2.087) 6.492 10.025 ( -1.015 0.000 0.910) 1.363 10.101 ( -2.200 0.000 -0.411) 2.238 10.153 ( -12.596 0.000 -21.120) 24.591 10.302 ( -3.694 0.000 3.358) 4.992 10.358 ( 7.126 0.000 -2.232) 7.467 10.477 ( 0.391 0.000 -2.769) 2.796 10.638 ( -0.347 0.000 0.700) 0.781 10.836 ( 8.375 0.000 1.016) 8.436 10.854 ( 10.240 0.000 -0.195) 10.242 10.988 ( 5.963 0.000 -0.417) 5.978 11.119 ( 2.960 0.000 -2.101) 3.630 11.268 ( 3.389 0.000 -0.547) 3.433 11.425 ( 1.997 0.000 14.300) 14.439 11.427 ( -4.575 0.000 4.935) 6.730 11.518 ( 0.707 0.000 -3.651) 3.719 11.617 ( 8.735 0.000 1.050) 8.798 11.621 ( 9.936 0.000 -5.898) 11.555 11.870 ( -0.352 0.000 -1.631) 1.668 11.905 ( -1.297 0.000 1.662) 2.108 12.068 ( 0.147 0.000 9.929) 9.930 12.088 ( -10.786 0.000 1.580) 10.901 12.233 ( -4.764 0.000 -9.915) 11.000 12.327 ( 0.947 0.000 0.738) 1.201 12.383 ( -5.869 0.000 -6.868) 9.034 12.532 ( 2.191 0.000 0.465) 2.240 12.802 ( -0.746 0.000 2.744) 2.843 12.822 ( 2.254 0.000 -3.285) 3.984 12.911 ( -3.599 0.000 -2.297) 4.269 12.976 ( 0.054 0.000 3.847) 3.847 13.124 ( -0.942 0.000 1.568) 1.829 13.126 ( -5.907 0.000 0.881) 5.972 13.352 ( -1.824 0.000 -5.454) 5.751 13.362 ( 2.068 0.000 3.036) 3.674 13.416 ( -4.517 0.000 -5.400) 7.040 13.453 ( -1.608 0.000 4.682) 4.950 13.557 ( -0.394 0.000 2.294) 2.327 13.628 ( 2.732 0.000 -2.198) 3.506 13.806 ( 0.998 0.000 0.838) 1.303 13.810 ( -0.072 0.000 -0.747) 0.751 14.448 ( -4.905 0.000 1.023) 5.011 14.496 ( -3.617 0.000 -0.006) 3.617 14.640 ( -3.646 0.000 -2.498) 4.420 14.818 ( 1.211 0.000 -0.792) 1.447 14.902 ( -2.656 0.000 -2.069) 3.367 15.256 ( -20.939 0.000 -63.689) 67.042 15.356 ( 2.039 0.000 -1.365) 2.454 15.391 ( -4.233 0.000 7.223) 8.372 15.469 ( 0.091 0.000 -0.716) 0.722 15.679 ( -8.879 0.000 -5.205) 10.292 16.208 ( 35.246 0.000 71.150) 79.402 17.275 ( 27.043 0.000 0.745) 27.053 17.777 ( 0.157 0.000 3.524) 3.528 17.809 ( 0.207 0.000 -2.188) 2.198 17.976 ( -7.024 0.000 -0.569) 7.047 18.043 ( -3.616 0.000 0.734) 3.690 18.079 ( -1.361 0.000 2.132) 2.530 18.114 ( 2.893 0.000 1.682) 3.346 18.295 ( -1.146 0.000 2.129) 2.418 18.353 ( 0.801 0.000 -3.674) 3.761 18.605 ( -1.419 0.000 0.396) 1.473 18.626 ( -1.616 0.000 0.119) 1.620 19.002 ( 7.616 0.000 -0.328) 7.623 19.130 ( 8.686 0.000 3.707) 9.444 20.987 ( -10.146 0.000 1.958) 10.333 21.008 ( -5.088 0.000 3.387) 6.112 21.584 ( -4.283 0.000 -2.589) 5.005 21.959 ( -5.920 0.000 -32.769) 33.300 22.708 ( 3.330 0.000 -2.288) 4.040 22.733 ( -1.479 0.000 -0.083) 1.482 22.877 ( -1.017 0.000 0.468) 1.120 22.935 ( -6.364 0.000 -3.774) 7.399 23.041 ( 5.627 0.000 11.074) 12.422 23.123 ( 6.936 0.000 -2.151) 7.262 23.172 ( -2.654 0.000 3.009) 4.012 23.362 ( -1.205 0.000 2.597) 2.863 ======================= Grid point 69 (27/70) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 6.791 23.559 27.074) 36.525 1.128 ( -5.033 26.417 28.899) 39.476 1.826 ( -0.242 44.647 30.076) 53.833 2.012 ( -6.676 10.345 -12.894) 17.828 2.108 ( -2.073 14.647 -24.777) 28.857 2.362 ( -3.233 -0.810 7.214) 7.947 2.580 ( 1.461 8.124 0.945) 8.308 2.680 ( -3.131 -2.348 5.625) 6.852 2.693 ( 3.622 1.370 5.795) 6.970 2.776 ( -2.961 6.332 2.670) 7.483 2.883 ( 4.338 4.087 3.774) 7.054 3.026 ( 4.888 2.339 0.597) 5.452 3.123 ( -0.567 6.633 6.177) 9.082 3.171 ( 0.707 1.801 -4.444) 4.847 3.366 ( -2.842 -1.453 3.379) 4.648 3.388 ( -1.750 -2.493 -6.344) 7.037 3.504 ( -3.358 -0.163 -4.051) 5.264 3.662 ( 5.543 -4.434 -5.956) 9.266 3.699 ( 1.847 1.342 -11.361) 11.588 3.726 ( 0.118 -1.657 -2.792) 3.248 3.756 ( -4.754 -6.203 -12.225) 14.510 3.851 ( 0.207 -0.905 0.921) 1.307 3.907 ( -5.929 -4.315 -1.730) 7.534 3.956 ( -0.722 -1.225 -4.767) 4.974 4.051 ( 3.839 -3.180 2.005) 5.373 4.067 ( -2.165 1.958 -7.758) 8.289 4.261 ( 4.023 4.036 -4.476) 7.246 4.311 ( 2.260 -0.358 -2.879) 3.678 4.332 ( -5.467 -6.318 -1.257) 8.449 4.352 ( -1.048 -0.406 -3.092) 3.290 4.527 ( 1.028 -4.195 0.023) 4.319 4.689 ( 0.032 -0.272 0.524) 0.592 4.747 ( 5.210 1.495 2.745) 6.076 4.762 ( -3.973 -9.806 -1.932) 10.755 4.801 ( -5.084 0.781 -3.326) 6.125 4.890 ( 10.431 -7.895 4.765) 13.922 5.008 ( -4.012 -3.115 2.018) 5.466 5.074 ( -9.339 5.134 0.910) 10.696 5.116 ( 0.339 -3.196 0.432) 3.243 5.157 ( 1.482 -10.210 -0.551) 10.332 5.200 ( 1.674 -3.260 -1.460) 3.945 5.291 ( -4.379 -4.850 12.448) 14.059 5.431 ( 1.153 2.564 -2.561) 3.803 5.468 ( 5.956 1.987 -3.365) 7.124 5.543 ( 7.431 -11.060 1.894) 13.459 5.595 ( 2.536 -5.655 1.232) 6.319 5.619 ( -3.622 -3.205 0.490) 4.862 5.822 ( -1.499 -3.892 8.573) 9.534 5.892 ( -0.773 -1.341 2.874) 3.264 5.943 ( -8.204 1.439 -9.543) 12.667 5.992 ( 0.248 -0.536 -1.324) 1.450 6.066 ( 1.993 1.592 1.721) 3.077 6.095 ( -2.400 -1.493 0.693) 2.910 6.137 ( 0.149 3.356 -3.204) 4.642 6.163 ( -0.830 -1.425 -2.838) 3.282 6.252 ( 4.245 -7.034 0.973) 8.273 6.397 ( 11.767 5.343 -0.783) 12.947 6.449 ( -4.143 3.887 -4.078) 6.993 6.556 ( -4.574 0.547 6.934) 8.325 6.605 ( -0.394 3.481 0.815) 3.597 6.657 ( -6.780 0.347 -2.165) 7.126 6.713 ( 2.182 2.166 -3.006) 4.299 6.747 ( -3.198 -2.022 2.558) 4.568 6.832 ( 8.082 9.981 1.800) 12.968 6.891 ( 0.061 2.782 -0.704) 2.870 6.946 ( -2.388 9.873 -3.630) 10.787 7.021 ( -1.239 -4.850 6.933) 8.551 7.073 ( -0.910 4.654 4.345) 6.432 7.110 ( 2.397 2.855 -1.286) 3.943 7.186 ( -3.102 -1.377 -5.950) 6.850 7.257 ( 0.785 4.598 -5.035) 6.863 7.390 ( 1.652 -1.677 -8.703) 9.015 7.511 ( -2.962 -14.736 1.341) 15.091 7.582 ( -3.203 -0.851 -0.331) 3.330 7.695 ( -1.837 -8.340 4.202) 9.517 7.741 ( 2.808 -8.530 -1.276) 9.070 7.823 ( -2.814 -0.882 1.677) 3.392 7.835 ( 0.886 -2.192 4.025) 4.668 7.935 ( -0.501 2.284 1.301) 2.676 8.005 ( -6.113 -2.495 5.782) 8.776 8.075 ( 4.202 8.577 -4.272) 10.463 8.157 ( 3.216 -8.926 -2.439) 9.796 8.195 ( -8.926 -4.872 -5.516) 11.569 8.307 ( -0.847 -5.674 3.037) 6.491 8.324 ( 0.334 -4.493 0.737) 4.566 8.353 ( 1.991 1.857 0.859) 2.854 8.459 ( -1.415 4.900 -5.663) 7.621 8.555 ( -1.532 -3.932 -4.312) 6.033 8.685 ( 0.212 -1.129 -3.180) 3.381 8.785 ( -5.205 3.547 -3.239) 7.083 8.852 ( 1.733 12.329 -1.220) 12.510 8.894 ( 6.568 -3.973 7.098) 10.455 8.920 ( 2.004 3.256 -2.995) 4.857 8.983 ( -3.697 9.882 1.192) 10.618 9.108 ( 0.966 -1.124 1.704) 2.259 9.188 ( 1.677 5.029 2.829) 6.009 9.255 ( 0.401 7.755 -1.562) 7.921 9.363 ( 0.770 -1.279 1.080) 1.843 9.427 ( 1.864 -0.113 -1.308) 2.280 9.626 ( -2.114 -3.549 0.053) 4.131 9.653 ( 5.142 4.287 -6.297) 9.190 9.670 ( -3.661 -4.504 -3.629) 6.845 9.746 ( 4.284 5.333 3.217) 7.559 9.825 ( 2.432 6.971 -2.212) 7.707 9.908 ( 4.977 5.858 10.522) 13.031 9.978 ( -6.296 11.664 5.838) 14.484 10.138 ( 0.020 4.022 2.227) 4.597 10.314 ( 3.197 1.820 4.683) 5.955 10.407 ( -1.134 3.118 -1.214) 3.533 10.489 ( -0.976 9.192 -0.283) 9.248 10.550 ( 1.344 3.082 -3.697) 4.998 10.653 ( -4.173 0.362 -4.385) 6.064 10.752 ( 1.424 -3.484 1.655) 4.111 10.901 ( 0.907 -3.188 -4.477) 5.571 11.065 ( 1.151 0.669 7.860) 7.972 11.148 ( 6.020 -5.169 1.812) 8.139 11.265 ( -3.866 -6.235 -4.253) 8.480 11.308 ( -2.108 -4.407 3.269) 5.878 11.435 ( -2.408 1.737 -0.457) 3.004 11.547 ( 4.975 -5.084 -1.184) 7.211 11.615 ( -1.127 -3.579 3.945) 5.444 11.794 ( 1.546 -1.237 -3.468) 3.993 11.817 ( -1.559 -4.792 2.273) 5.528 11.877 ( 0.955 -2.484 0.600) 2.728 11.900 ( -1.809 -3.367 -0.504) 3.855 11.925 ( -1.597 -5.943 -1.795) 6.410 12.196 ( 1.694 -2.337 -2.083) 3.559 12.279 ( -2.021 -3.281 -2.544) 4.617 12.511 ( -1.113 -1.464 0.717) 1.974 12.582 ( 6.017 -3.561 -2.586) 7.454 12.675 ( -2.578 -8.707 0.991) 9.135 12.742 ( 0.447 -9.019 -2.032) 9.256 12.887 ( -0.166 3.408 0.344) 3.430 13.089 ( -0.370 9.989 -7.860) 12.716 13.178 ( 1.040 9.916 -0.280) 9.975 13.246 ( -6.671 13.132 -5.306) 15.656 13.343 ( 5.580 5.470 -1.420) 7.941 13.413 ( 1.604 6.522 -4.720) 8.209 13.470 ( -1.403 4.979 3.864) 6.457 13.589 ( -0.645 8.094 0.155) 8.121 13.671 ( -0.275 5.027 1.663) 5.302 13.702 ( 1.609 4.809 -0.919) 5.153 13.821 ( -1.179 0.779 -0.623) 1.544 13.837 ( 0.649 3.284 -1.948) 3.873 14.369 ( 0.609 -0.132 0.268) 0.678 14.447 ( -0.223 0.053 -2.302) 2.313 14.468 ( -0.815 0.619 4.117) 4.243 14.599 ( 1.395 -0.490 -3.483) 3.784 14.879 ( -0.029 4.613 -1.369) 4.812 14.901 ( 0.762 2.786 -2.504) 3.822 15.341 ( -3.746 -2.731 4.240) 6.283 15.396 ( 3.151 1.230 0.700) 3.454 15.467 ( -0.968 -1.589 0.368) 1.897 15.602 ( -0.220 1.447 -10.034) 10.140 16.965 ( -0.260 -40.967 31.126) 51.451 17.385 ( 0.311 -29.982 -2.985) 30.132 17.721 ( 2.097 0.324 1.867) 2.826 17.757 ( -1.773 1.286 -0.287) 2.209 17.824 ( -2.010 2.333 1.567) 3.455 17.863 ( 1.545 1.754 -0.303) 2.357 18.116 ( -2.172 3.419 -0.784) 4.126 18.154 ( 2.125 -0.065 -0.562) 2.199 18.327 ( -3.450 2.401 0.155) 4.207 18.387 ( 2.804 3.276 -1.414) 4.538 18.637 ( 1.299 3.812 1.144) 4.187 18.669 ( -1.015 5.106 -0.412) 5.222 19.033 ( -0.426 -2.525 3.354) 4.220 19.187 ( -1.411 -4.221 -4.374) 6.240 21.020 ( 0.617 0.692 7.892) 7.946 21.138 ( -0.831 15.297 7.618) 17.109 21.446 ( -1.864 1.560 -12.293) 12.531 21.693 ( 1.727 20.954 -28.007) 35.020 22.729 ( 1.387 -1.531 2.014) 2.885 22.771 ( -2.008 -0.033 -0.239) 2.022 22.859 ( 1.012 -0.855 0.887) 1.594 22.889 ( 0.460 -0.147 -0.306) 0.572 23.102 ( -2.354 -3.299 0.946) 4.161 23.157 ( 2.653 -3.710 -1.403) 4.771 23.238 ( 7.587 -10.398 9.737) 16.140 23.309 ( -3.804 -3.158 1.378) 5.132 ======================= Grid point 70 (28/70) ======================= q-point: ( 0.17 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 7.614 16.216 27.400) 32.736 1.588 ( 12.469 21.604 20.514) 32.296 1.635 ( 0.077 6.617 -25.452) 26.298 1.915 ( 10.422 19.519 -17.080) 27.953 2.394 ( 2.336 1.235 11.676) 11.971 2.416 ( 0.844 11.679 13.749) 18.060 2.612 ( 1.245 6.363 8.485) 10.679 2.640 ( 0.552 11.447 -1.951) 11.625 2.724 ( -4.298 -1.378 1.654) 4.807 2.751 ( 1.303 -0.059 2.181) 2.541 2.915 ( -2.042 4.795 0.809) 5.275 3.056 ( -5.251 -2.789 -15.324) 16.437 3.127 ( 1.541 8.590 8.854) 12.432 3.149 ( -4.588 2.411 1.428) 5.376 3.230 ( 2.662 10.559 -9.452) 14.420 3.336 ( -1.590 3.020 1.120) 3.592 3.482 ( 3.067 0.891 2.710) 4.188 3.567 ( 1.733 2.788 -6.683) 7.446 3.666 ( -0.446 -7.492 -0.339) 7.513 3.723 ( 0.525 -1.239 -1.012) 1.683 3.749 ( 4.151 -5.120 -8.859) 11.042 3.809 ( -4.975 -5.176 -0.652) 7.209 3.886 ( 3.640 -5.304 0.682) 6.469 3.914 ( 5.460 2.710 -0.236) 6.100 3.965 ( -7.955 0.916 -0.786) 8.047 4.109 ( 1.480 -7.040 0.355) 7.203 4.231 ( 3.486 1.945 -3.794) 5.507 4.276 ( -3.406 1.857 -7.957) 8.853 4.315 ( 3.360 -1.321 3.049) 4.726 4.404 ( 2.942 -5.290 3.030) 6.769 4.511 ( 0.480 -7.176 1.233) 7.297 4.544 ( -3.031 -4.417 0.491) 5.379 4.738 ( -0.609 -1.975 -0.527) 2.133 4.845 ( 0.240 2.065 0.082) 2.080 4.882 ( -1.369 2.958 -6.771) 7.515 4.928 ( 0.180 -6.227 2.894) 6.869 4.970 ( 7.680 -5.520 4.329) 10.402 5.067 ( 0.508 -8.920 -4.318) 9.923 5.174 ( 5.805 -4.283 3.143) 7.869 5.208 ( 7.214 -2.359 3.974) 8.567 5.265 ( -3.306 -1.193 4.434) 5.658 5.348 ( 2.273 2.447 1.046) 3.500 5.454 ( -0.511 -3.506 6.586) 7.479 5.494 ( 2.610 -2.818 -5.830) 6.982 5.566 ( -5.944 -6.879 -4.442) 10.119 5.603 ( 1.416 2.889 2.706) 4.204 5.683 ( -1.469 -3.140 -4.142) 5.401 5.739 ( -0.531 -5.499 3.015) 6.294 5.867 ( -0.678 -1.133 10.385) 10.469 5.925 ( -4.116 3.887 -6.257) 8.438 5.969 ( -6.315 4.017 -2.318) 7.835 6.032 ( -3.317 -3.367 2.826) 5.507 6.059 ( 2.668 -1.550 -3.835) 4.922 6.155 ( 0.080 0.134 6.280) 6.282 6.174 ( 2.424 -5.056 -2.786) 6.261 6.271 ( -0.950 1.896 -5.573) 5.963 6.319 ( -9.524 3.269 -1.487) 10.178 6.419 ( -5.454 4.407 -1.856) 7.253 6.448 ( -10.111 4.329 0.108) 10.999 6.532 ( 3.572 -2.657 -3.640) 5.751 6.608 ( 2.229 -0.737 0.883) 2.508 6.688 ( 3.122 -1.351 -1.251) 3.625 6.736 ( 1.955 6.484 3.073) 7.437 6.845 ( -7.546 3.193 2.572) 8.588 6.891 ( -4.674 5.613 -0.582) 7.328 6.976 ( 10.303 3.340 0.677) 10.852 7.010 ( -1.685 -3.116 0.517) 3.581 7.119 ( 0.461 1.061 1.971) 2.285 7.168 ( -0.658 -7.262 -1.588) 7.463 7.247 ( 10.451 6.102 -4.882) 13.050 7.336 ( 9.855 3.562 8.885) 13.739 7.359 ( -2.262 -0.034 -3.909) 4.516 7.424 ( -10.301 -8.087 2.688) 13.369 7.598 ( -2.332 -5.753 -0.254) 6.213 7.640 ( -5.711 2.216 -8.214) 10.247 7.700 ( -0.962 -7.677 1.492) 7.880 7.741 ( 0.222 -5.112 0.634) 5.156 7.894 ( -2.393 -5.824 3.430) 7.170 7.934 ( -2.578 -4.485 1.300) 5.334 8.018 ( -0.655 -2.905 6.077) 6.768 8.093 ( 5.417 -1.891 -1.598) 5.956 8.187 ( -0.299 -1.474 6.080) 6.264 8.218 ( 4.097 0.578 1.151) 4.295 8.262 ( -2.660 -0.200 -3.361) 4.290 8.353 ( -2.319 -0.898 -2.266) 3.364 8.389 ( 1.275 1.717 5.180) 5.604 8.452 ( 5.800 -1.489 -0.058) 5.988 8.525 ( 2.774 -2.811 -2.618) 4.739 8.679 ( 0.090 -0.876 -6.120) 6.183 8.712 ( 2.903 3.395 4.806) 6.561 8.861 ( -1.581 3.580 0.072) 3.914 8.942 ( 0.989 5.446 -2.054) 5.904 8.985 ( 11.726 0.751 -3.856) 12.366 9.069 ( 2.609 -1.046 4.435) 5.251 9.161 ( 2.449 6.144 4.274) 7.875 9.200 ( 2.830 1.956 -5.062) 6.121 9.267 ( 1.323 2.254 1.482) 3.004 9.403 ( 4.389 -0.899 -2.761) 5.262 9.474 ( 2.508 4.502 2.024) 5.537 9.569 ( -0.491 0.188 -1.515) 1.604 9.589 ( 1.010 -0.850 0.788) 1.537 9.749 ( 3.829 5.148 -1.482) 6.585 9.767 ( -0.450 4.872 -2.623) 5.551 9.820 ( 5.239 6.246 -4.758) 9.439 9.962 ( -0.906 6.393 1.783) 6.698 10.112 ( 2.325 7.535 1.546) 8.035 10.178 ( 0.216 4.109 7.558) 8.605 10.309 ( -3.549 0.705 -1.448) 3.898 10.386 ( -4.731 -3.663 -5.802) 8.335 10.462 ( -1.945 -0.895 -3.878) 4.430 10.525 ( 2.754 7.483 0.569) 7.994 10.599 ( 3.361 2.382 3.397) 5.339 10.764 ( -4.177 0.981 1.021) 4.411 10.825 ( -3.028 1.299 -1.339) 3.556 11.001 ( -11.295 -6.644 -4.116) 13.735 11.133 ( -3.204 -3.130 4.916) 6.651 11.271 ( -1.706 2.160 -2.629) 3.806 11.315 ( 0.824 0.492 -1.731) 1.979 11.397 ( -1.141 0.001 2.846) 3.066 11.520 ( -3.882 0.097 -1.023) 4.015 11.667 ( -0.988 -2.955 2.078) 3.745 11.747 ( 0.154 -4.621 0.432) 4.644 11.759 ( -3.344 -4.383 1.194) 5.641 11.875 ( -0.440 -2.505 -1.765) 3.095 11.954 ( 4.857 -5.138 0.030) 7.071 12.010 ( 8.224 -6.928 0.923) 10.792 12.221 ( 1.222 -3.581 -3.253) 4.990 12.253 ( 2.869 -3.739 2.923) 5.546 12.428 ( -6.489 0.225 -1.733) 6.720 12.540 ( -5.891 -5.486 -0.343) 8.058 12.673 ( -0.277 -8.513 -0.777) 8.553 12.738 ( 0.485 -6.417 -1.439) 6.594 12.944 ( 5.096 1.256 3.653) 6.395 13.017 ( 4.567 9.184 -5.679) 11.724 13.193 ( 0.746 8.394 3.034) 8.957 13.267 ( 3.931 9.788 2.238) 10.782 13.374 ( 0.711 6.378 -2.885) 7.036 13.398 ( 2.535 3.293 -3.265) 5.285 13.490 ( -1.301 8.676 4.332) 9.784 13.583 ( 0.775 5.272 -1.797) 5.624 13.646 ( -3.578 5.368 0.548) 6.475 13.703 ( -0.644 6.873 -0.557) 6.926 13.797 ( 0.145 0.729 0.092) 0.749 13.831 ( 0.196 2.583 -1.195) 2.853 14.447 ( 5.461 -1.409 -1.397) 5.810 14.498 ( 7.785 -0.758 -0.364) 7.830 14.537 ( 4.158 -0.831 0.661) 4.291 14.630 ( 5.933 -0.703 -3.219) 6.786 14.872 ( 1.023 2.927 -0.856) 3.216 14.897 ( 1.457 2.737 -2.262) 3.838 15.302 ( -3.754 -1.709 1.888) 4.537 15.440 ( -0.698 1.218 3.019) 3.329 15.527 ( 2.174 -0.252 -2.060) 3.006 15.563 ( 9.267 -1.913 -0.717) 9.490 16.813 ( -29.013 -27.299 7.288) 40.498 17.187 ( -30.133 -19.705 0.868) 36.015 17.689 ( 6.438 -5.120 0.394) 8.235 17.792 ( 3.480 1.983 1.010) 4.131 17.871 ( 3.270 2.097 -0.397) 3.905 18.026 ( 8.922 -2.049 0.308) 9.160 18.078 ( -1.951 0.356 1.534) 2.507 18.188 ( 3.239 -0.018 -2.541) 4.117 18.273 ( -3.843 3.454 2.361) 5.681 18.417 ( 2.352 2.254 -1.228) 3.482 18.613 ( -2.808 3.431 0.010) 4.434 18.697 ( 2.102 4.612 -0.167) 5.071 18.976 ( -6.694 -1.410 0.698) 6.876 19.118 ( -3.950 -0.184 -0.087) 3.956 21.195 ( 6.348 3.449 9.686) 12.084 21.238 ( 0.446 8.847 8.548) 12.310 21.319 ( 4.091 -0.808 -11.320) 12.063 21.584 ( 10.557 14.119 -13.775) 22.373 22.729 ( -3.165 -2.138 -0.905) 3.925 22.751 ( -0.821 -0.764 0.787) 1.370 22.895 ( 0.907 -0.549 -0.496) 1.171 22.920 ( 4.332 -0.377 1.602) 4.634 23.069 ( -1.829 -2.355 -0.279) 2.994 23.116 ( -5.339 -3.897 -0.770) 6.654 23.264 ( -0.184 -3.512 -2.035) 4.063 23.353 ( -1.381 -6.201 2.817) 6.949 ======================= Grid point 71 (29/70) ======================= q-point: ( 0.33 0.11 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 22.098 4.022 -10.973) 24.998 1.838 ( 17.575 11.450 -8.037) 22.462 1.884 ( 11.128 11.515 15.799) 22.495 2.107 ( 6.122 15.768 13.675) 21.752 2.308 ( -8.527 8.771 -3.029) 12.602 2.379 ( -2.804 -3.264 -2.448) 4.950 2.496 ( -10.731 -2.565 -6.627) 12.871 2.577 ( -2.332 6.683 -4.047) 8.154 2.686 ( -5.591 1.077 3.773) 6.831 2.834 ( -6.656 -0.592 -5.416) 8.602 2.878 ( -0.539 -0.384 0.608) 0.898 2.952 ( -5.097 6.325 7.290) 10.914 3.055 ( -2.297 5.793 -2.292) 6.640 3.222 ( 16.662 12.995 -13.377) 25.008 3.293 ( -2.822 6.848 7.726) 10.703 3.414 ( 3.530 -1.269 -0.523) 3.788 3.513 ( -1.597 0.242 -5.499) 5.731 3.539 ( -0.456 -1.837 -1.155) 2.218 3.614 ( -1.796 -0.092 4.219) 4.587 3.728 ( 0.188 -2.734 -2.666) 3.823 3.737 ( 5.978 0.402 0.750) 6.039 3.811 ( 4.000 -4.371 3.328) 6.796 3.879 ( -0.055 -6.038 6.080) 8.569 4.031 ( 4.175 3.083 0.013) 5.190 4.044 ( -2.331 0.546 3.808) 4.498 4.066 ( 9.127 -4.770 2.353) 10.563 4.147 ( -3.123 -7.066 -1.983) 7.976 4.314 ( 0.963 6.254 1.769) 6.570 4.359 ( -2.785 -2.333 1.409) 3.897 4.514 ( 2.748 -0.328 -2.923) 4.025 4.529 ( 0.810 -7.533 -1.377) 7.701 4.627 ( 8.403 -3.707 0.785) 9.218 4.679 ( -4.167 6.076 5.965) 9.480 4.793 ( 2.774 -0.992 -1.799) 3.452 4.892 ( -3.091 -9.549 -1.072) 10.094 4.947 ( -0.742 -7.983 -2.528) 8.406 5.020 ( -1.432 -0.702 2.794) 3.217 5.095 ( 1.939 -8.012 2.908) 8.741 5.181 ( -1.527 -5.216 -2.636) 6.040 5.305 ( 2.913 -6.065 3.496) 7.582 5.337 ( -6.894 -2.396 -2.754) 7.801 5.349 ( -0.406 -3.829 2.286) 4.478 5.406 ( 2.071 7.197 3.557) 8.291 5.510 ( -3.130 -5.153 -0.894) 6.095 5.538 ( 1.385 -1.224 -0.707) 1.979 5.574 ( -4.537 0.493 5.575) 7.204 5.646 ( -4.872 -1.336 4.391) 6.693 5.768 ( -4.183 -3.347 -0.354) 5.369 5.803 ( -2.070 1.751 0.096) 2.713 5.846 ( -1.718 6.431 -0.821) 6.707 5.912 ( -5.347 -1.875 -2.822) 6.330 5.925 ( -11.833 0.906 1.663) 11.983 5.976 ( 2.167 0.715 -0.833) 2.430 6.118 ( 1.538 1.464 -0.462) 2.173 6.146 ( 5.820 -4.388 0.348) 7.297 6.249 ( 0.349 -5.790 -1.837) 6.084 6.280 ( 1.974 2.280 -3.743) 4.806 6.387 ( 0.105 10.104 2.243) 10.350 6.425 ( 6.798 0.123 0.961) 6.867 6.578 ( -6.190 -4.007 -2.830) 7.898 6.618 ( 1.063 -5.268 -2.205) 5.809 6.683 ( 3.049 -0.277 -8.056) 8.618 6.745 ( -0.782 -0.879 -4.381) 4.536 6.814 ( -3.835 -1.058 6.324) 7.471 6.843 ( -0.976 -0.639 3.782) 3.958 7.039 ( 2.090 0.872 -0.958) 2.459 7.092 ( 0.826 1.430 -4.755) 5.034 7.119 ( 0.406 4.018 0.323) 4.051 7.158 ( 3.804 1.850 0.073) 4.230 7.166 ( -4.081 0.179 2.024) 4.558 7.286 ( 1.677 1.610 -6.293) 6.709 7.344 ( 0.405 -1.932 -5.750) 6.080 7.469 ( -4.985 -2.879 -3.355) 6.663 7.529 ( -2.866 3.486 -1.624) 4.796 7.599 ( -7.105 1.639 1.267) 7.401 7.621 ( -2.099 -0.313 4.991) 5.423 7.707 ( -5.494 -8.921 4.359) 11.348 7.893 ( -3.782 -1.219 3.653) 5.397 7.991 ( 2.016 1.215 -1.265) 2.672 8.055 ( 1.336 -3.840 0.207) 4.071 8.160 ( -2.084 -7.864 7.530) 11.085 8.180 ( 5.523 -10.465 6.862) 13.679 8.230 ( 3.702 -3.092 -4.841) 6.834 8.278 ( -2.235 0.007 3.648) 4.278 8.387 ( 0.707 -6.540 3.812) 7.603 8.445 ( -0.146 6.661 -3.794) 7.667 8.468 ( -2.203 3.937 2.885) 5.355 8.581 ( 5.049 -2.146 0.887) 5.558 8.724 ( 8.024 -8.327 0.869) 11.597 8.818 ( -0.158 1.888 2.076) 2.810 8.871 ( 0.808 3.401 1.154) 3.681 8.941 ( 1.396 -0.073 1.342) 1.938 9.050 ( 0.120 2.616 -3.643) 4.486 9.148 ( 3.458 3.921 -2.602) 5.839 9.196 ( 0.968 3.041 1.211) 3.413 9.304 ( 1.492 3.007 3.389) 4.770 9.338 ( 7.982 0.312 -0.053) 7.988 9.457 ( 3.177 -7.176 -3.195) 8.473 9.509 ( 1.354 2.774 0.627) 3.150 9.578 ( -0.806 2.588 -2.198) 3.489 9.677 ( 8.942 6.753 2.994) 11.599 9.739 ( 3.981 -1.365 -1.681) 4.532 9.795 ( 8.119 5.302 -1.289) 9.782 9.894 ( 4.458 5.805 -3.195) 7.987 9.983 ( 2.321 6.528 0.133) 6.930 10.095 ( -7.324 0.583 -0.855) 7.397 10.130 ( -3.425 1.633 -2.079) 4.327 10.231 ( -4.380 -0.572 1.395) 4.632 10.273 ( 1.359 2.093 -1.250) 2.791 10.462 ( -3.128 4.309 -1.691) 5.587 10.541 ( -0.863 1.432 -0.979) 1.937 10.618 ( -5.339 3.971 1.877) 6.914 10.726 ( -3.234 2.461 -0.000) 4.064 10.785 ( -2.152 -3.525 5.768) 7.094 10.827 ( 2.439 8.229 -5.504) 10.196 11.109 ( -6.003 4.300 -3.664) 8.244 11.171 ( 0.794 -2.220 2.668) 3.561 11.314 ( -5.894 -0.536 -0.726) 5.963 11.345 ( 0.239 -4.407 -0.620) 4.457 11.475 ( -4.168 3.564 4.542) 7.121 11.643 ( -0.002 -1.277 -5.743) 5.884 11.702 ( 0.139 -5.584 -3.391) 6.534 11.775 ( -2.576 -2.674 1.179) 3.895 11.863 ( 0.275 -2.925 1.981) 3.543 12.064 ( 5.373 -4.359 2.917) 7.508 12.132 ( 4.516 -4.849 0.020) 6.626 12.252 ( 2.802 -3.461 -0.334) 4.466 12.308 ( -2.766 -2.324 0.133) 3.615 12.330 ( 1.354 -7.086 0.169) 7.217 12.438 ( -4.792 -2.762 -0.621) 5.566 12.632 ( -1.734 -6.527 -0.144) 6.754 12.730 ( -1.061 -10.164 1.038) 10.272 13.065 ( 6.813 4.379 -4.679) 9.353 13.092 ( 4.970 -0.289 1.867) 5.317 13.228 ( 0.406 6.549 -1.652) 6.766 13.313 ( -0.807 4.135 1.495) 4.470 13.381 ( 1.134 5.238 0.273) 5.366 13.436 ( 2.708 6.338 2.677) 7.394 13.506 ( 0.216 7.368 -1.495) 7.521 13.566 ( 0.283 9.462 1.103) 9.530 13.602 ( -2.101 7.101 0.594) 7.429 13.682 ( -0.824 7.483 -0.388) 7.538 13.795 ( -1.301 1.311 0.825) 2.022 13.835 ( 1.747 1.757 -0.687) 2.571 14.545 ( 5.714 -3.484 0.182) 6.695 14.603 ( 4.059 -2.544 -2.112) 5.235 14.609 ( 3.930 -1.081 1.658) 4.400 14.714 ( 2.886 -3.162 2.042) 4.743 14.899 ( 3.829 2.240 0.134) 4.438 14.923 ( 3.167 2.082 2.131) 4.348 15.267 ( -2.750 -1.507 1.095) 3.322 15.453 ( -1.091 0.908 2.451) 2.832 15.594 ( 8.557 -6.104 -2.092) 10.717 15.783 ( 14.160 1.492 2.690) 14.490 16.318 ( -26.099 -11.918 -8.534) 29.934 16.659 ( -29.487 -7.272 1.025) 30.388 17.708 ( -2.029 1.590 2.395) 3.519 17.886 ( 3.009 1.283 -1.145) 3.466 17.986 ( 7.817 -4.164 1.082) 8.923 18.045 ( 0.569 0.315 -1.026) 1.214 18.134 ( 1.308 0.146 -0.889) 1.589 18.183 ( 0.859 3.663 -2.949) 4.781 18.291 ( 0.886 0.033 4.717) 4.799 18.425 ( 0.724 3.469 -1.759) 3.956 18.577 ( -1.401 -0.473 0.790) 1.677 18.692 ( -2.283 -0.214 -0.835) 2.441 18.899 ( -1.148 1.607 -0.843) 2.148 19.035 ( -6.025 3.875 0.944) 7.226 21.233 ( 3.747 -2.267 -8.037) 9.153 21.290 ( 0.745 4.511 -1.959) 4.974 21.492 ( 6.394 -0.590 12.192) 13.779 21.665 ( 5.090 4.251 1.979) 6.921 22.638 ( -3.833 -2.210 -1.266) 4.603 22.748 ( -0.598 0.292 -0.129) 0.678 22.899 ( -0.661 -0.789 1.058) 1.476 22.992 ( 0.385 -2.118 -0.599) 2.234 23.032 ( 0.131 -2.302 -1.118) 2.563 23.057 ( 2.221 -0.957 -2.100) 3.203 23.251 ( 1.448 -3.248 -2.242) 4.204 23.310 ( -5.247 -3.718 1.263) 6.553 ======================= Grid point 72 (30/70) ======================= q-point: (-0.50 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -1.248 5.621 -4.003) 7.013 1.931 ( -21.244 16.084 -1.368) 26.681 1.994 ( -1.616 0.175 -5.959) 6.177 2.079 ( 21.225 5.646 -4.399) 22.399 2.290 ( 6.970 7.397 -4.078) 10.951 2.333 ( -0.572 6.138 -0.656) 6.200 2.426 ( -9.653 4.595 9.179) 14.091 2.570 ( 6.934 6.191 4.125) 10.170 2.677 ( -2.063 5.581 0.453) 5.967 2.761 ( 0.628 4.185 4.741) 6.355 2.890 ( -1.941 2.405 6.679) 7.360 2.954 ( 5.194 -0.189 3.613) 6.330 3.081 ( -5.991 -1.475 3.229) 6.963 3.160 ( 0.196 -5.570 -1.005) 5.663 3.350 ( -2.537 2.216 -2.668) 4.297 3.405 ( 3.734 -2.611 -8.905) 10.003 3.448 ( 0.182 -3.696 1.876) 4.149 3.576 ( 3.382 3.447 -7.136) 8.616 3.637 ( -7.957 -1.039 -3.385) 8.710 3.661 ( 4.824 -0.475 -5.174) 7.090 3.771 ( 1.382 1.784 -2.978) 3.736 3.908 ( -2.864 -6.595 4.744) 8.614 3.922 ( -2.543 0.960 -3.990) 4.828 4.047 ( 1.701 -2.041 7.187) 7.662 4.073 ( -1.373 0.556 5.753) 5.941 4.125 ( -0.495 2.237 2.430) 3.340 4.244 ( 9.491 -1.276 -1.226) 9.655 4.289 ( 1.226 -0.028 4.300) 4.471 4.343 ( -3.894 1.057 -4.507) 6.049 4.397 ( -0.808 -1.135 0.267) 1.419 4.503 ( -0.208 7.776 -0.918) 7.832 4.631 ( 0.505 3.372 -9.388) 9.988 4.776 ( -0.388 3.990 2.936) 4.968 4.832 ( 0.424 -6.504 0.719) 6.558 4.884 ( -6.918 -5.124 7.207) 11.227 4.942 ( 2.625 -8.798 2.548) 9.528 4.978 ( 3.940 -5.456 -0.858) 6.784 5.126 ( -3.959 -0.681 4.469) 6.009 5.161 ( -5.699 -7.186 -0.829) 9.208 5.280 ( 0.101 1.607 -6.211) 6.416 5.300 ( 2.648 -5.468 3.643) 7.085 5.393 ( -2.916 -11.426 0.845) 11.822 5.434 ( 0.850 3.283 -1.639) 3.766 5.449 ( 1.257 -15.527 5.340) 16.468 5.566 ( -5.009 6.533 4.123) 9.207 5.608 ( -1.332 -0.713 3.125) 3.470 5.644 ( 6.075 -1.674 3.197) 7.066 5.711 ( -1.481 -2.944 12.492) 12.919 5.777 ( 3.003 -2.851 0.064) 4.141 5.803 ( -0.480 -1.887 -7.081) 7.344 5.841 ( 1.283 -0.850 -2.129) 2.627 5.935 ( -1.280 4.958 4.381) 6.739 6.067 ( -0.671 0.953 -3.615) 3.798 6.156 ( -4.522 1.089 -3.490) 5.815 6.207 ( 0.933 7.447 8.634) 11.440 6.212 ( 0.150 -1.334 4.574) 4.767 6.267 ( -3.686 7.275 -4.560) 9.344 6.358 ( 2.192 -6.646 -3.473) 7.813 6.509 ( 3.532 -3.246 1.181) 4.940 6.541 ( 5.004 -3.544 2.974) 6.815 6.579 ( -2.229 -3.406 -6.313) 7.511 6.626 ( 5.004 -1.429 -7.034) 8.750 6.703 ( 2.780 -3.511 3.217) 5.514 6.839 ( -3.514 -0.271 1.859) 3.984 6.901 ( 0.895 -0.256 2.983) 3.125 6.986 ( 1.243 4.185 -8.147) 9.243 7.019 ( 2.631 -3.021 -10.980) 11.688 7.079 ( -5.832 0.289 -2.968) 6.550 7.139 ( -4.881 1.370 -9.790) 11.025 7.201 ( 8.180 -0.103 -2.524) 8.562 7.272 ( 2.856 -1.897 -3.130) 4.643 7.286 ( 2.448 3.581 2.884) 5.209 7.401 ( -4.807 10.931 -5.211) 13.029 7.457 ( 3.239 -0.940 -0.996) 3.517 7.576 ( -3.338 -5.602 2.873) 7.126 7.595 ( -0.741 -4.874 5.241) 7.195 7.691 ( 0.542 -0.504 6.163) 6.207 7.878 ( -3.082 -7.439 0.758) 8.088 8.018 ( 2.466 4.764 2.061) 5.746 8.082 ( 0.468 2.252 -4.310) 4.885 8.142 ( -1.408 -5.035 -1.085) 5.340 8.233 ( -1.242 -0.321 2.105) 2.465 8.293 ( 2.932 -1.330 0.884) 3.339 8.337 ( -2.506 -5.894 11.467) 13.135 8.386 ( -5.210 0.965 -0.566) 5.328 8.414 ( -4.658 -2.959 10.099) 11.508 8.579 ( 4.830 -0.054 3.952) 6.241 8.652 ( -0.104 -1.616 2.452) 2.938 8.783 ( -4.706 -1.396 -1.025) 5.014 8.803 ( 1.117 -2.809 1.959) 3.602 8.832 ( -6.568 -1.374 -5.973) 8.983 8.909 ( 4.860 5.459 -2.894) 7.862 9.036 ( 1.204 5.218 -2.031) 5.727 9.158 ( -2.925 4.484 -5.743) 7.852 9.205 ( 4.878 -3.154 1.324) 5.958 9.325 ( -0.488 0.664 2.130) 2.284 9.386 ( -0.712 -3.516 -0.538) 3.628 9.481 ( -0.099 -6.534 0.982) 6.608 9.508 ( -2.080 6.866 0.985) 7.242 9.615 ( 2.273 1.669 0.937) 2.971 9.704 ( 1.054 -1.969 -4.543) 5.062 9.777 ( -6.431 1.695 -3.761) 7.640 9.883 ( -0.213 4.388 -0.339) 4.407 9.919 ( 2.618 6.293 -3.392) 7.613 10.019 ( 0.658 3.598 2.441) 4.397 10.073 ( 2.571 -3.969 1.119) 4.859 10.145 ( 1.750 1.072 3.663) 4.199 10.186 ( -1.264 3.127 1.528) 3.703 10.304 ( 11.320 3.322 0.372) 11.804 10.399 ( -5.308 3.571 0.108) 6.398 10.499 ( -0.204 2.919 -2.022) 3.557 10.577 ( -0.930 -1.969 1.974) 2.939 10.641 ( -1.097 10.405 -6.194) 12.159 10.691 ( -2.748 1.816 -2.079) 3.896 11.017 ( 0.226 3.088 2.857) 4.213 11.055 ( 6.195 1.320 3.904) 7.441 11.170 ( -0.736 0.780 2.546) 2.763 11.249 ( 1.373 -0.347 -1.981) 2.435 11.339 ( -2.736 5.749 0.020) 6.367 11.464 ( -1.998 -1.104 1.563) 2.767 11.590 ( 1.099 -3.418 -3.956) 5.342 11.637 ( 1.576 -2.380 -7.372) 7.906 11.760 ( -1.398 -2.924 2.449) 4.062 11.879 ( 0.094 -3.900 -0.457) 3.928 12.126 ( -1.854 -2.618 2.396) 4.004 12.203 ( 3.313 -6.143 1.922) 7.240 12.263 ( -2.931 -6.356 -0.416) 7.011 12.276 ( -0.410 -2.956 -1.505) 3.342 12.346 ( 0.966 -8.550 0.516) 8.620 12.382 ( -0.172 -0.675 -1.337) 1.508 12.655 ( 1.144 -6.562 3.760) 7.649 12.735 ( 0.127 -12.190 1.351) 12.266 13.096 ( -1.136 -0.179 -2.605) 2.848 13.128 ( 3.412 5.319 -4.985) 8.049 13.193 ( 1.667 5.733 -1.656) 6.196 13.247 ( -5.644 1.010 -3.077) 6.507 13.401 ( -2.318 5.695 2.400) 6.601 13.470 ( 1.593 7.999 -0.753) 8.191 13.550 ( 3.128 7.696 2.794) 8.764 13.585 ( -1.892 8.380 4.061) 9.502 13.622 ( -0.325 7.053 1.446) 7.207 13.662 ( 0.630 8.347 -0.578) 8.391 13.798 ( 0.016 1.487 1.555) 2.152 13.845 ( 0.448 1.802 -1.177) 2.198 14.603 ( -1.291 -0.791 -0.796) 1.711 14.610 ( 1.071 -2.124 -0.502) 2.432 14.673 ( -0.276 -3.856 2.115) 4.406 14.736 ( 0.706 -3.476 -0.103) 3.549 15.014 ( 4.478 -0.429 6.637) 8.018 15.064 ( 0.210 -1.818 11.502) 11.647 15.238 ( -0.413 -1.521 1.009) 1.871 15.460 ( -2.665 3.183 3.963) 5.740 15.699 ( 6.569 -7.165 -6.523) 11.706 15.766 ( -14.196 -1.104 -12.173) 18.733 16.179 ( 21.126 -1.747 1.137) 21.229 16.256 ( -15.005 -6.272 -2.180) 16.408 17.714 ( -1.330 2.864 3.864) 4.990 17.892 ( 0.658 1.462 -3.463) 3.816 18.014 ( -1.510 0.855 0.476) 1.800 18.081 ( 0.985 1.774 -0.872) 2.209 18.122 ( -1.461 -1.716 -2.291) 3.214 18.166 ( 1.916 0.892 -1.668) 2.692 18.337 ( -2.362 1.239 3.335) 4.271 18.430 ( 2.236 4.600 -1.190) 5.251 18.579 ( -2.341 -4.422 1.907) 5.354 18.654 ( 2.473 -3.394 -0.976) 4.312 18.921 ( 3.281 2.670 -0.139) 4.232 18.945 ( -3.596 5.822 -0.866) 6.897 21.206 ( 1.239 -1.555 -5.065) 5.442 21.237 ( -1.361 2.295 -5.887) 6.463 21.645 ( -5.092 -2.051 11.897) 13.103 21.791 ( 5.311 0.379 5.249) 7.477 22.626 ( 1.893 -2.022 2.001) 3.417 22.720 ( -0.829 0.354 -1.969) 2.165 22.899 ( -0.985 -1.739 1.561) 2.536 22.974 ( 0.659 -3.232 -1.188) 3.506 23.027 ( -0.971 -0.195 -2.014) 2.244 23.086 ( 4.287 -0.029 -4.068) 5.910 23.233 ( -4.438 -3.234 1.250) 5.632 23.267 ( 1.953 -3.072 -0.594) 3.688 ======================= Grid point 73 (31/70) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -29.510 16.286 2.981) 33.837 1.541 ( -21.114 24.878 -4.949) 33.004 2.099 ( 5.391 -0.065 2.059) 5.771 2.187 ( -4.372 -6.589 -0.586) 7.929 2.300 ( -5.638 10.539 4.000) 12.604 2.417 ( 4.114 4.125 0.575) 5.855 2.476 ( 11.819 11.147 -3.886) 16.705 2.584 ( -4.370 3.847 0.681) 5.861 2.666 ( -10.661 10.287 0.087) 14.815 2.706 ( -12.186 11.301 -3.426) 16.969 2.885 ( -0.434 7.909 -5.479) 9.631 2.912 ( -0.599 0.298 1.224) 1.395 3.024 ( -4.559 4.980 -0.174) 6.754 3.228 ( 2.593 -3.315 -0.289) 4.219 3.309 ( -0.123 1.410 4.565) 4.780 3.368 ( 9.548 -5.462 0.525) 11.013 3.394 ( 3.945 -4.499 -1.852) 6.264 3.429 ( 4.527 -1.952 -1.436) 5.135 3.683 ( 2.296 -3.027 0.935) 3.913 3.783 ( 7.034 -1.443 -3.227) 7.872 3.843 ( 2.853 -2.593 -6.214) 7.312 3.883 ( 0.503 -3.369 5.786) 6.714 3.925 ( -3.558 -3.101 4.789) 6.723 3.981 ( -4.296 -4.844 2.013) 6.780 4.163 ( 0.767 -4.715 2.953) 5.616 4.199 ( -1.649 -6.656 -1.698) 7.064 4.216 ( -0.133 -1.087 -2.783) 2.991 4.295 ( -6.178 -0.581 3.522) 7.135 4.413 ( 6.908 -1.637 5.673) 9.087 4.474 ( 4.457 4.629 -0.891) 6.487 4.539 ( -1.038 -0.896 -5.964) 6.119 4.578 ( 6.764 5.157 -0.259) 8.510 4.733 ( -4.936 -3.875 9.401) 11.303 4.791 ( 0.061 1.936 -5.688) 6.008 4.852 ( -0.325 2.339 0.228) 2.373 4.978 ( -1.223 -0.751 7.086) 7.230 5.061 ( -3.536 -7.029 0.358) 7.877 5.111 ( -3.386 -5.862 -4.760) 8.276 5.168 ( 5.017 1.452 1.302) 5.382 5.197 ( -2.037 -3.172 7.071) 8.013 5.291 ( -5.607 -1.786 0.441) 5.901 5.368 ( -2.204 -5.766 2.037) 6.501 5.445 ( -0.798 -1.302 -3.365) 3.696 5.519 ( -0.427 -3.652 -0.900) 3.786 5.574 ( -0.198 -6.779 2.185) 7.125 5.627 ( 0.898 -4.780 -1.756) 5.171 5.644 ( -2.643 -13.003 2.146) 13.441 5.783 ( 5.539 1.903 -2.891) 6.532 5.804 ( -1.736 -8.103 2.911) 8.783 5.877 ( 0.541 3.342 -5.738) 6.662 5.909 ( 9.515 5.903 -0.465) 11.207 5.964 ( 5.389 0.675 3.486) 6.454 6.009 ( -3.855 3.692 -2.157) 5.757 6.046 ( 2.537 2.534 7.301) 8.134 6.113 ( -0.331 5.052 -1.500) 5.280 6.226 ( -1.674 -4.500 0.542) 4.832 6.312 ( 0.648 -3.934 -1.938) 4.433 6.428 ( -1.964 3.317 3.544) 5.237 6.475 ( 0.039 -0.987 -0.293) 1.030 6.524 ( 0.033 -4.226 -6.045) 7.376 6.668 ( -4.661 -2.849 -0.014) 5.463 6.673 ( 2.836 -1.312 -1.269) 3.373 6.772 ( 1.987 8.183 -5.267) 9.932 6.810 ( 4.950 0.865 7.057) 8.663 6.849 ( 1.530 6.956 -5.956) 9.285 6.913 ( 0.692 -1.805 -0.148) 1.939 6.933 ( 1.596 0.197 -2.677) 3.123 7.036 ( 1.926 -0.607 -0.469) 2.073 7.190 ( 1.987 -2.951 -0.037) 3.558 7.226 ( -2.358 -0.908 1.050) 2.737 7.299 ( 3.428 -2.646 -1.956) 4.752 7.330 ( 11.341 4.596 -4.603) 13.074 7.355 ( 1.786 -2.168 -0.160) 2.813 7.448 ( 4.787 -0.708 -5.358) 7.220 7.624 ( 3.752 -3.372 1.797) 5.355 7.706 ( 3.374 -4.174 3.382) 6.344 7.793 ( -0.483 -5.410 1.396) 5.608 7.873 ( 5.614 -4.106 0.918) 7.016 7.940 ( -6.627 2.465 1.107) 7.157 8.039 ( -6.312 3.155 1.788) 7.280 8.123 ( 3.025 2.223 -4.815) 6.106 8.233 ( -0.529 -3.007 -4.587) 5.510 8.293 ( -7.179 -2.130 5.204) 9.119 8.332 ( -8.553 -2.342 6.038) 10.728 8.385 ( 0.701 -2.853 4.533) 5.401 8.496 ( -1.341 -3.407 13.635) 14.118 8.575 ( 1.643 3.619 1.015) 4.102 8.628 ( -2.828 -2.518 3.226) 4.974 8.681 ( -8.665 -4.762 0.366) 9.894 8.776 ( -0.559 0.984 1.181) 1.635 8.922 ( 1.022 7.143 7.462) 10.381 8.943 ( 2.796 6.452 -3.384) 7.803 8.982 ( -1.418 3.747 -6.572) 7.697 9.038 ( 0.530 -3.009 -6.764) 7.422 9.258 ( -1.423 -2.418 -2.458) 3.730 9.283 ( -1.897 -0.531 -5.846) 6.169 9.354 ( -8.466 3.675 4.434) 10.239 9.391 ( -6.947 -0.668 6.869) 9.792 9.502 ( -3.752 -3.098 -1.355) 5.051 9.553 ( -2.758 -3.585 -2.885) 5.365 9.634 ( -0.219 3.443 1.869) 3.923 9.738 ( -0.997 1.963 -0.581) 2.277 9.861 ( -5.631 3.488 -3.335) 7.416 9.902 ( 4.016 10.917 -1.930) 11.792 10.012 ( -4.811 4.978 -0.985) 6.993 10.063 ( 2.444 1.646 3.375) 4.481 10.210 ( -7.157 2.792 -5.279) 9.321 10.231 ( 7.130 -3.802 2.452) 8.444 10.313 ( -0.716 -4.058 -5.939) 7.229 10.486 ( 7.839 -3.909 2.991) 9.256 10.497 ( 0.605 10.790 1.339) 10.889 10.609 ( 1.010 0.793 -2.849) 3.125 10.656 ( 3.946 8.040 1.615) 9.101 10.716 ( 10.439 4.520 1.752) 11.509 10.946 ( -3.416 -1.837 -1.059) 4.021 11.104 ( -1.627 -0.803 -2.479) 3.072 11.258 ( 2.180 -2.503 -4.032) 5.222 11.295 ( -0.909 4.909 2.256) 5.478 11.372 ( 8.769 1.266 5.187) 10.266 11.458 ( 4.032 1.536 0.945) 4.417 11.550 ( -1.680 -4.817 -3.564) 6.223 11.609 ( 1.883 -0.270 -4.315) 4.716 11.800 ( 1.179 -3.633 4.438) 5.856 11.870 ( 1.441 -3.780 -2.533) 4.773 12.092 ( -6.380 -6.646 2.952) 9.674 12.167 ( -7.058 -6.906 -0.737) 9.903 12.217 ( -0.833 0.912 -0.670) 1.406 12.278 ( 1.879 -2.640 0.955) 3.378 12.393 ( 2.720 -8.561 -0.212) 8.985 12.409 ( 4.311 -4.153 -0.270) 5.992 12.692 ( -0.187 -8.643 0.619) 8.667 12.769 ( 2.028 -9.651 0.230) 9.864 12.996 ( -6.090 2.384 -1.175) 6.645 13.098 ( -0.187 6.749 -1.678) 6.957 13.149 ( -1.763 5.037 -1.144) 5.457 13.285 ( 6.447 4.173 1.084) 7.756 13.332 ( -5.950 7.269 1.308) 9.485 13.517 ( 2.840 6.125 0.097) 6.752 13.536 ( -4.759 5.333 -1.057) 7.226 13.599 ( -2.486 9.523 2.219) 10.089 13.628 ( 0.701 8.490 1.310) 8.619 13.688 ( 1.351 6.910 -0.668) 7.072 13.805 ( -0.746 0.808 -0.081) 1.103 13.844 ( 0.979 2.268 -0.239) 2.482 14.544 ( -4.860 0.276 -0.155) 4.870 14.569 ( -4.081 0.162 -0.034) 4.085 14.656 ( -3.647 -5.193 0.129) 6.347 14.759 ( 1.781 -4.184 0.226) 4.553 15.034 ( -6.694 -1.442 -1.780) 7.075 15.153 ( -1.650 -6.351 8.497) 10.736 15.339 ( -3.040 -2.441 8.960) 9.771 15.385 ( -4.654 0.559 -3.523) 5.864 15.574 ( -0.314 1.795 2.117) 2.793 15.713 ( 4.817 3.033 2.632) 6.271 16.023 ( 0.269 -7.750 -16.903) 18.597 16.658 ( 29.727 -8.457 0.754) 30.916 17.747 ( -0.929 2.311 4.517) 5.158 17.845 ( -0.725 0.920 -3.341) 3.540 17.961 ( -7.042 -3.251 0.412) 7.767 18.032 ( -3.743 -1.489 -0.417) 4.049 18.113 ( 3.175 2.726 -1.867) 4.582 18.161 ( -1.414 1.554 0.325) 2.126 18.314 ( -2.910 2.172 2.410) 4.359 18.440 ( -0.072 3.982 -1.848) 4.390 18.569 ( 0.801 -1.571 0.938) 1.997 18.713 ( 2.254 0.004 -0.781) 2.385 18.888 ( 0.963 1.769 -0.807) 2.170 19.031 ( 7.277 1.994 0.919) 7.601 21.114 ( -5.566 0.906 -3.541) 6.659 21.161 ( -2.626 2.807 -0.949) 3.959 21.645 ( -6.444 -1.427 6.711) 9.413 21.946 ( 6.713 -0.199 3.748) 7.691 22.688 ( 1.317 -1.517 -3.219) 3.794 22.708 ( 2.937 -1.578 1.478) 3.647 22.907 ( -0.399 -2.329 1.728) 2.927 22.939 ( -3.349 -0.057 -1.362) 3.616 23.018 ( 3.739 -2.025 -0.691) 4.307 23.071 ( -0.268 -0.371 -5.295) 5.315 23.187 ( -2.306 -2.619 -0.347) 3.507 23.302 ( 1.580 -3.146 0.899) 3.634 ======================= Grid point 74 (32/70) ======================= q-point: (-0.17 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -26.491 24.210 1.508) 35.919 1.152 ( -24.104 26.953 13.664) 38.655 1.792 ( -27.626 49.327 13.889) 58.217 2.144 ( -4.417 -11.004 5.410) 13.033 2.320 ( -0.823 10.213 -14.950) 18.124 2.440 ( 8.664 -1.032 10.501) 13.653 2.552 ( -1.870 4.997 -6.705) 8.569 2.605 ( -0.169 3.521 -0.072) 3.526 2.644 ( -2.879 8.103 4.278) 9.604 2.693 ( 10.566 7.268 -3.174) 13.211 2.749 ( 0.077 5.552 1.121) 5.665 2.951 ( 4.033 -0.318 -1.467) 4.304 3.042 ( 1.345 7.361 4.272) 8.617 3.251 ( -2.943 5.053 2.284) 6.278 3.333 ( 4.777 -4.555 -9.044) 11.196 3.353 ( 0.881 0.489 8.023) 8.086 3.563 ( 5.706 -6.428 2.781) 9.034 3.647 ( 8.546 -2.938 -1.897) 9.234 3.693 ( -3.952 -1.420 -8.387) 9.379 3.752 ( 3.497 -5.012 0.237) 6.116 3.868 ( 3.054 -1.553 -1.067) 3.588 3.893 ( -1.019 -5.990 1.418) 6.239 3.919 ( -0.851 -4.598 1.469) 4.901 4.026 ( 2.588 -8.480 -1.824) 9.051 4.089 ( -1.815 -0.218 -4.516) 4.872 4.150 ( -6.814 -3.226 -2.045) 7.811 4.251 ( 6.704 -1.523 -3.876) 7.892 4.283 ( 1.036 -1.526 5.634) 5.928 4.389 ( -1.817 -2.002 -4.121) 4.928 4.473 ( -1.161 -0.708 0.953) 1.660 4.542 ( -6.516 -0.805 -10.342) 12.250 4.662 ( 6.471 -4.506 0.408) 7.896 4.695 ( 0.987 5.869 -2.131) 6.322 4.784 ( -1.181 -3.043 3.976) 5.144 4.896 ( -5.036 -3.793 -3.572) 7.246 4.949 ( -2.559 -9.693 -3.182) 10.518 5.007 ( -6.743 -1.779 4.473) 8.285 5.035 ( -5.674 -6.711 9.591) 13.008 5.079 ( -2.526 4.176 3.830) 6.204 5.220 ( -5.521 -0.940 5.977) 8.191 5.258 ( -2.171 -4.500 2.798) 5.727 5.319 ( -5.973 -2.864 0.700) 6.661 5.431 ( 2.738 -8.216 -6.704) 10.952 5.497 ( -4.007 5.770 -2.296) 7.390 5.500 ( 1.053 -10.835 -6.553) 12.707 5.566 ( 0.666 4.665 -0.417) 4.731 5.683 ( -1.807 -2.449 -4.433) 5.377 5.780 ( 4.756 -9.818 10.682) 15.268 5.826 ( -3.996 -2.267 -6.365) 7.850 5.907 ( 3.067 -6.681 7.006) 10.155 6.016 ( 9.769 0.053 0.278) 9.773 6.045 ( 3.386 -3.366 1.216) 4.927 6.117 ( 3.565 6.589 -3.456) 8.251 6.160 ( -2.867 -0.201 2.070) 3.542 6.197 ( 2.166 5.290 0.221) 5.720 6.221 ( -4.006 -0.981 -5.402) 6.796 6.289 ( 20.442 5.219 3.767) 21.431 6.382 ( -1.718 -3.392 -5.253) 6.485 6.459 ( 0.985 5.085 1.506) 5.394 6.583 ( 5.311 4.637 -5.580) 8.991 6.627 ( 3.358 -6.273 7.867) 10.608 6.652 ( -1.604 1.696 -2.874) 3.703 6.775 ( 0.176 8.427 4.237) 9.434 6.813 ( 5.759 2.694 -3.996) 7.510 6.872 ( -5.875 -3.885 -1.509) 7.204 6.937 ( -0.230 1.645 4.652) 4.940 7.047 ( -2.160 2.504 1.914) 3.822 7.078 ( -0.194 6.327 4.798) 7.943 7.102 ( 3.156 4.430 -2.680) 6.064 7.198 ( -1.676 -3.314 -3.355) 5.005 7.311 ( -1.142 1.606 -4.681) 5.079 7.455 ( 10.883 -11.414 -1.272) 15.822 7.520 ( 5.163 -4.629 -0.555) 6.956 7.566 ( 8.787 -9.565 4.421) 13.720 7.675 ( 3.467 -5.871 1.878) 7.072 7.685 ( -5.191 -2.502 -0.833) 5.822 7.796 ( -1.909 -4.572 2.344) 5.481 7.867 ( -4.612 0.024 1.920) 4.995 7.954 ( -1.460 2.817 3.645) 4.833 8.042 ( -1.454 2.347 3.243) 4.259 8.097 ( 3.756 -7.168 -1.615) 8.252 8.170 ( -4.328 -9.362 -4.927) 11.430 8.244 ( 2.526 -4.763 1.776) 5.677 8.341 ( -3.132 -4.856 2.951) 6.488 8.386 ( -2.188 -5.368 -1.984) 6.127 8.518 ( -6.361 -6.041 -3.471) 9.434 8.534 ( -3.147 5.379 -4.379) 7.617 8.601 ( 1.665 -4.886 -0.297) 5.171 8.704 ( -0.647 4.269 -0.239) 4.324 8.791 ( -1.530 0.120 9.174) 9.302 8.834 ( -4.810 2.537 2.036) 5.806 8.886 ( -3.948 8.658 -3.013) 9.981 9.015 ( -2.420 8.630 2.062) 9.197 9.028 ( 2.999 2.489 -0.256) 3.906 9.077 ( -13.265 -1.712 -3.694) 13.876 9.181 ( -7.777 9.289 3.324) 12.563 9.297 ( 3.697 5.641 -3.362) 7.536 9.371 ( -1.333 3.719 -0.419) 3.973 9.451 ( -2.328 -8.458 -2.555) 9.137 9.531 ( 0.584 4.772 -1.810) 5.137 9.647 ( -2.193 -2.120 3.828) 4.895 9.664 ( -2.039 -3.643 -0.250) 4.182 9.733 ( 1.165 1.531 -2.396) 3.072 9.892 ( -3.158 8.753 -0.463) 9.317 9.927 ( -5.300 6.283 -7.785) 11.321 10.052 ( -8.730 7.102 1.915) 11.416 10.125 ( 1.556 -0.071 -0.373) 1.601 10.194 ( 1.342 6.871 3.195) 7.695 10.391 ( 3.436 7.320 1.230) 8.179 10.502 ( 2.409 3.434 1.198) 4.362 10.585 ( -0.654 3.732 -2.789) 4.705 10.667 ( 2.575 3.832 3.526) 5.809 10.732 ( 1.399 -3.120 -1.036) 3.573 10.838 ( 8.640 -4.136 -2.877) 10.002 10.982 ( 1.732 0.506 1.423) 2.298 11.046 ( 4.305 1.969 -2.532) 5.368 11.254 ( 1.948 -6.525 0.679) 6.844 11.397 ( 0.129 -6.826 3.157) 7.522 11.411 ( 1.297 -0.823 -1.237) 1.973 11.456 ( -0.104 -1.695 -0.989) 1.965 11.599 ( 2.299 -2.917 1.079) 3.868 11.674 ( 9.251 1.125 -0.392) 9.328 11.853 ( -0.161 -2.329 1.394) 2.719 11.865 ( 0.144 -3.016 -1.172) 3.239 11.993 ( -7.969 -7.216 2.442) 11.024 12.028 ( -7.215 -7.114 -1.070) 10.189 12.219 ( 0.863 1.789 -1.863) 2.723 12.310 ( -0.220 -3.301 1.265) 3.542 12.443 ( 7.442 -5.125 -3.449) 9.672 12.489 ( 4.139 -2.069 1.081) 4.752 12.690 ( 0.801 -8.253 -1.546) 8.435 12.776 ( -0.678 -10.243 -1.036) 10.318 12.912 ( -3.006 5.114 0.245) 5.937 13.120 ( 0.829 5.514 -0.558) 5.604 13.145 ( 3.050 9.384 1.021) 9.919 13.266 ( -1.515 6.405 2.062) 6.897 13.408 ( 3.826 5.467 2.289) 7.055 13.430 ( -2.610 6.277 -4.042) 7.909 13.515 ( -1.731 6.220 -7.441) 9.851 13.588 ( -0.879 9.913 2.891) 10.363 13.637 ( 0.327 8.509 1.336) 8.619 13.692 ( 1.156 5.805 -1.857) 6.204 13.798 ( 0.096 -0.024 1.210) 1.214 13.854 ( 0.741 3.190 -1.164) 3.475 14.455 ( -4.643 0.477 -0.025) 4.667 14.499 ( -3.802 0.268 -0.313) 3.825 14.564 ( -6.621 -5.984 -0.834) 8.963 14.741 ( -7.055 -9.212 -3.814) 12.214 14.916 ( -2.508 2.892 -3.515) 5.198 14.999 ( -9.333 -2.254 -9.098) 13.227 15.330 ( -0.585 -3.588 4.036) 5.432 15.360 ( -0.161 -1.119 -0.549) 1.256 15.524 ( -5.032 0.762 0.927) 5.173 15.779 ( -0.460 -1.545 -19.445) 19.512 16.234 ( 21.894 -0.388 36.921) 42.926 17.166 ( 27.628 -17.312 0.418) 32.607 17.710 ( -9.343 -5.795 -0.066) 10.995 17.810 ( -2.160 0.297 2.793) 3.543 17.848 ( -1.725 3.317 -1.657) 4.090 17.963 ( -6.139 -2.502 0.616) 6.658 18.124 ( 0.346 -0.654 0.088) 0.745 18.162 ( -0.332 5.515 -0.228) 5.529 18.320 ( 0.687 3.598 2.774) 4.595 18.400 ( -0.892 3.019 -2.831) 4.234 18.604 ( 1.726 1.780 0.118) 2.482 18.699 ( -1.808 4.391 -0.092) 4.749 18.954 ( 5.238 -2.100 0.614) 5.677 19.167 ( 6.759 -1.461 0.014) 6.916 21.004 ( -5.183 -0.713 2.196) 5.674 21.115 ( -3.827 11.204 3.506) 12.348 21.584 ( -3.884 -0.022 -2.419) 4.576 22.029 ( 5.125 -0.135 -18.361) 19.064 22.688 ( 3.261 -1.666 -0.825) 3.754 22.740 ( 1.026 0.094 0.665) 1.226 22.879 ( -1.326 0.004 0.318) 1.364 22.942 ( -6.329 0.411 -3.950) 7.471 22.983 ( 2.735 -3.748 7.678) 8.971 23.100 ( 6.270 -2.280 -1.599) 6.861 23.139 ( -3.416 -2.654 1.402) 4.548 23.329 ( -0.800 -3.094 2.070) 3.808 ======================= Grid point 75 (33/70) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 7.217 27.217 14.627) 31.730 1.677 ( -7.576 27.496 18.448) 33.967 2.020 ( -3.865 4.302 0.750) 5.832 2.325 ( -2.635 6.181 -11.847) 13.620 2.464 ( 7.465 4.092 -8.195) 11.817 2.611 ( -0.603 5.784 -3.025) 6.555 2.660 ( -0.454 -1.078 -0.737) 1.382 2.719 ( 2.736 6.202 -2.086) 7.093 2.866 ( 0.445 -1.042 5.719) 5.830 2.949 ( 1.145 13.666 0.501) 13.723 2.995 ( 0.784 13.535 -0.256) 13.560 3.123 ( 2.739 8.144 2.623) 8.983 3.218 ( -2.201 7.800 -2.285) 8.421 3.281 ( -1.570 7.010 2.939) 7.761 3.333 ( -3.191 1.904 2.290) 4.364 3.370 ( 1.969 4.893 7.703) 9.336 3.484 ( 0.626 -0.800 3.575) 3.716 3.565 ( -4.280 -7.085 1.283) 8.376 3.631 ( -0.214 -2.144 -1.869) 2.852 3.702 ( 0.782 0.948 -6.290) 6.409 3.755 ( -0.631 0.621 -3.306) 3.423 3.785 ( -5.469 -2.424 0.199) 5.985 3.860 ( 3.212 -2.163 -4.745) 6.125 3.925 ( 3.728 -1.909 -2.868) 5.076 3.977 ( 2.452 -2.030 0.354) 3.202 4.105 ( 2.502 1.837 -3.673) 4.809 4.134 ( -3.854 -7.347 -0.185) 8.299 4.243 ( -9.340 -9.171 -0.266) 13.093 4.321 ( 1.492 -0.258 -4.446) 4.697 4.407 ( -6.029 4.179 0.317) 7.343 4.464 ( -0.941 -7.821 1.595) 8.037 4.578 ( 11.598 0.403 5.975) 13.053 4.696 ( 4.938 -3.901 -5.336) 8.250 4.716 ( -6.785 -2.858 -0.164) 7.364 4.754 ( 4.229 0.070 -2.253) 4.792 4.802 ( 2.877 -11.843 -2.194) 12.384 4.878 ( -2.413 1.575 0.503) 2.925 4.978 ( -4.473 -2.517 7.517) 9.102 5.038 ( 4.658 -9.213 1.938) 10.504 5.098 ( 6.459 -3.551 -1.424) 7.507 5.207 ( -5.114 -0.068 -6.584) 8.337 5.250 ( 1.860 -0.958 3.551) 4.121 5.358 ( -4.881 -2.028 -3.346) 6.255 5.398 ( 3.488 -0.284 0.837) 3.599 5.426 ( -5.408 -5.475 -8.538) 11.494 5.577 ( 3.692 2.714 1.420) 4.797 5.607 ( 2.018 -1.782 4.037) 4.853 5.649 ( -3.632 -5.506 7.007) 9.623 5.817 ( -8.126 -7.751 2.236) 11.450 5.861 ( 3.417 -10.058 1.412) 10.716 5.919 ( 2.571 -7.303 -3.030) 8.314 5.989 ( 1.162 -1.330 -4.595) 4.923 6.057 ( -1.039 -3.107 -0.020) 3.276 6.153 ( 0.441 -0.061 -6.511) 6.526 6.190 ( 0.834 -0.607 -0.046) 1.033 6.229 ( -4.551 0.881 -3.842) 6.020 6.409 ( 4.924 -3.056 3.025) 6.537 6.465 ( 2.230 -4.519 -2.453) 5.605 6.499 ( -0.131 -5.209 4.165) 6.670 6.550 ( 3.068 0.632 2.008) 3.721 6.610 ( 0.463 -2.667 -2.002) 3.367 6.743 ( 0.602 -2.374 4.050) 4.733 6.798 ( 0.997 2.570 -3.760) 4.662 6.877 ( -2.472 -5.419 -5.001) 7.778 6.928 ( -3.907 -0.710 11.141) 11.827 7.004 ( -1.785 -6.329 -1.561) 6.759 7.066 ( -1.108 -0.598 0.298) 1.294 7.131 ( -3.344 2.520 7.045) 8.195 7.145 ( 0.183 7.004 -3.383) 7.781 7.221 ( 1.329 0.642 -1.125) 1.856 7.319 ( -1.253 -0.248 -1.761) 2.175 7.337 ( 2.242 1.016 5.335) 5.876 7.353 ( -6.987 2.810 -1.916) 7.771 7.492 ( 5.658 -2.447 0.707) 6.205 7.605 ( 0.194 -3.628 2.282) 4.291 7.626 ( 0.308 -0.354 -2.743) 2.783 7.702 ( 2.221 -5.841 9.777) 11.604 7.797 ( -0.518 -5.946 -1.462) 6.145 7.875 ( 5.981 -3.269 -5.861) 8.989 7.940 ( -1.756 -7.347 2.877) 8.084 8.008 ( 0.403 -0.536 -2.778) 2.858 8.120 ( -1.471 0.791 -4.615) 4.908 8.184 ( -3.793 2.898 -0.765) 4.834 8.245 ( 2.517 -1.116 1.179) 2.995 8.359 ( -0.318 1.454 2.446) 2.863 8.418 ( -1.151 -4.215 -1.823) 4.734 8.502 ( 0.850 8.587 -0.293) 8.634 8.574 ( -2.120 4.048 -4.273) 6.256 8.689 ( -0.590 0.718 -0.048) 0.931 8.815 ( 6.733 -0.509 -1.265) 6.870 8.896 ( -5.239 -1.848 -1.800) 5.840 8.962 ( -1.436 -3.115 -3.150) 4.657 9.015 ( -0.234 5.036 -3.148) 5.944 9.102 ( -2.190 5.805 -7.307) 9.586 9.183 ( -0.563 5.442 1.411) 5.650 9.214 ( 2.347 -4.133 2.661) 5.447 9.362 ( 0.571 0.432 -1.354) 1.531 9.387 ( -2.071 8.135 8.018) 11.609 9.464 ( -1.373 -0.075 -2.878) 3.189 9.552 ( -0.068 -0.382 2.495) 2.525 9.594 ( 0.493 3.257 5.107) 6.077 9.839 ( -1.766 10.794 -7.100) 13.040 9.880 ( 4.543 6.673 5.705) 9.885 9.977 ( 6.293 6.957 -0.249) 9.384 10.068 ( -4.014 7.926 10.519) 13.769 10.211 ( 1.410 11.628 1.079) 11.763 10.247 ( 1.138 5.615 -0.531) 5.753 10.381 ( -4.177 4.917 -0.543) 6.474 10.401 ( 0.309 -4.037 -2.176) 4.597 10.484 ( -2.072 -5.359 2.967) 6.466 10.598 ( 1.819 -1.276 0.771) 2.352 10.631 ( -2.880 -1.541 -4.810) 5.815 10.826 ( 6.150 -1.015 -3.145) 6.981 10.900 ( 0.842 7.440 -4.697) 8.839 11.022 ( -2.158 -4.772 0.379) 5.251 11.091 ( -4.235 -2.256 3.549) 5.968 11.142 ( 0.840 2.390 -2.843) 3.808 11.228 ( 3.073 -2.784 -0.004) 4.147 11.391 ( 2.446 -5.745 6.619) 9.100 11.518 ( -0.005 0.767 5.233) 5.289 11.605 ( 3.267 2.559 0.099) 4.151 11.666 ( -4.707 -9.384 3.568) 11.088 11.685 ( 0.396 -7.447 -3.243) 8.132 11.792 ( 0.140 -4.663 -1.299) 4.843 11.807 ( -0.290 -3.728 -0.065) 3.740 11.829 ( -0.266 -4.704 -0.426) 4.730 12.150 ( -0.606 -2.315 -4.137) 4.779 12.210 ( 0.409 -2.879 -3.770) 4.761 12.437 ( -3.121 -7.908 2.793) 8.949 12.442 ( 1.089 -5.338 3.470) 6.459 12.535 ( 0.865 -10.807 -1.778) 10.986 12.578 ( 1.234 -1.731 -2.898) 3.595 12.990 ( -2.804 5.962 3.276) 7.358 13.223 ( -0.197 4.071 -1.428) 4.318 13.300 ( 2.182 3.530 3.898) 5.694 13.410 ( 0.018 2.846 -0.683) 2.927 13.474 ( -1.001 6.636 -5.832) 8.891 13.538 ( 1.708 5.594 -4.585) 7.432 13.630 ( -0.292 8.638 0.543) 8.660 13.720 ( -1.217 5.330 0.629) 5.503 13.788 ( -0.038 2.334 0.665) 2.428 13.817 ( 0.551 6.003 1.063) 6.121 13.857 ( 0.418 4.175 -1.403) 4.424 13.915 ( 0.454 4.359 -2.594) 5.093 14.366 ( 1.047 0.122 0.884) 1.376 14.452 ( -0.732 0.822 -2.829) 3.036 14.492 ( 0.203 1.693 3.255) 3.674 14.570 ( 0.721 -1.867 -0.789) 2.151 14.965 ( 0.701 3.715 -1.302) 3.998 15.008 ( 0.203 7.537 -3.019) 8.122 15.280 ( -1.798 -2.454 3.557) 4.680 15.381 ( 3.013 -4.629 -0.558) 5.551 15.461 ( -1.000 3.271 1.975) 3.950 15.615 ( 1.071 -0.227 -8.403) 8.474 16.369 ( -7.705 -21.037 15.080) 27.006 16.714 ( 3.014 -31.820 -4.296) 32.250 17.767 ( -2.388 3.886 1.858) 4.925 17.839 ( 3.507 5.816 -1.286) 6.912 17.892 ( -1.640 3.802 0.669) 4.194 17.918 ( 1.163 2.950 -0.676) 3.243 18.175 ( 1.625 4.145 -0.112) 4.453 18.205 ( -1.943 4.543 -0.861) 5.016 18.423 ( -3.718 4.951 -0.912) 6.258 18.465 ( 2.323 4.109 -1.114) 4.849 18.727 ( 1.927 3.869 1.052) 4.448 18.759 ( -0.623 2.284 -0.794) 2.498 18.988 ( 1.161 -1.741 2.610) 3.345 19.100 ( -2.154 -3.040 -2.423) 4.444 21.028 ( 2.245 0.533 9.050) 9.340 21.346 ( -2.080 2.459 3.855) 5.024 21.496 ( -2.546 4.699 -6.437) 8.367 21.851 ( 2.791 -0.771 -15.122) 15.397 22.699 ( 1.474 -1.062 1.693) 2.483 22.762 ( -3.301 -0.867 -1.703) 3.814 22.841 ( 2.088 -0.894 1.251) 2.593 22.876 ( -0.134 -1.105 -0.181) 1.127 23.021 ( -3.905 -4.220 2.012) 6.091 23.055 ( 3.073 -5.332 2.527) 6.652 23.092 ( 4.447 -5.622 3.504) 7.979 23.224 ( -2.209 -5.095 -0.973) 5.638 ======================= Grid point 76 (34/70) ======================= q-point: ( 0.17 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -5.502 9.851 -11.884) 16.387 1.807 ( 3.743 22.548 16.652) 28.280 1.974 ( 11.684 17.265 11.559) 23.837 2.247 ( 6.169 12.471 -4.032) 14.485 2.447 ( -6.792 3.892 -3.855) 8.725 2.524 ( -0.396 -0.471 0.503) 0.795 2.610 ( -2.605 -1.568 -5.620) 6.390 2.722 ( -0.233 0.300 -1.884) 1.922 2.861 ( -1.760 5.729 -3.555) 6.968 2.964 ( -6.783 0.447 -7.184) 9.891 2.986 ( -2.428 6.510 0.581) 6.973 3.074 ( -0.897 4.981 3.716) 6.279 3.237 ( 2.233 5.286 5.892) 8.225 3.330 ( 3.513 7.179 2.767) 8.458 3.402 ( -6.142 0.770 5.922) 8.567 3.479 ( -4.638 2.575 8.810) 10.284 3.485 ( -0.191 0.104 0.677) 0.711 3.547 ( 3.815 -3.263 -1.679) 5.293 3.597 ( 4.865 6.293 2.904) 8.467 3.646 ( -1.204 -4.806 -2.858) 5.719 3.709 ( -2.603 12.694 -6.909) 14.685 3.759 ( 3.074 1.240 6.058) 6.906 3.850 ( 5.222 1.492 -5.185) 7.509 3.951 ( -1.331 -1.374 -4.980) 5.335 3.997 ( 2.257 -1.429 -1.287) 2.965 4.086 ( -6.034 2.206 4.856) 8.053 4.121 ( 5.824 -6.980 -0.341) 9.097 4.177 ( 3.547 -2.464 -1.374) 4.532 4.320 ( -2.913 -2.466 -3.041) 4.880 4.364 ( 2.222 -2.264 -0.751) 3.260 4.399 ( -4.232 1.849 7.074) 8.448 4.515 ( -2.813 -3.377 -4.143) 6.040 4.594 ( -6.011 -9.388 -7.503) 13.438 4.742 ( 0.237 -8.388 0.644) 8.416 4.802 ( 0.110 -4.105 -0.805) 4.184 4.853 ( -1.904 -6.573 -0.050) 6.843 4.943 ( 2.703 -3.435 -3.679) 5.713 5.051 ( 0.628 4.068 -3.552) 5.437 5.059 ( 11.869 0.719 -1.838) 12.032 5.194 ( 10.073 -6.643 2.850) 12.398 5.236 ( 5.171 2.711 2.728) 6.444 5.302 ( 2.684 -9.503 -2.542) 10.197 5.342 ( -1.982 -4.232 2.904) 5.502 5.400 ( 5.919 -1.549 9.083) 10.952 5.491 ( -2.582 -6.882 -8.233) 11.037 5.499 ( -1.607 -1.689 2.195) 3.201 5.646 ( -3.290 -0.160 4.903) 5.906 5.714 ( 3.446 -1.249 -1.208) 3.859 5.795 ( 0.468 -4.559 8.708) 9.840 5.865 ( -5.100 -7.569 -0.447) 9.138 5.895 ( -3.809 -5.705 -0.884) 6.917 5.940 ( 2.084 -8.662 1.986) 9.128 6.041 ( 2.967 -0.399 -10.948) 11.350 6.078 ( 1.275 -0.402 -4.858) 5.038 6.168 ( 4.263 0.647 2.623) 5.047 6.239 ( -0.681 -4.966 2.988) 5.836 6.430 ( -1.365 -1.683 -1.773) 2.800 6.450 ( -9.594 -1.741 -0.017) 9.750 6.512 ( -5.826 0.497 -2.984) 6.564 6.572 ( -3.450 -4.696 6.576) 8.787 6.618 ( -4.421 -0.102 -10.833) 11.701 6.666 ( -7.931 8.538 7.395) 13.801 6.726 ( 7.342 -0.765 -4.858) 8.837 6.836 ( 2.259 -6.872 -2.736) 7.734 6.892 ( -7.992 -5.085 3.457) 10.083 6.949 ( -4.411 -2.696 2.708) 5.836 7.017 ( -3.023 7.592 0.931) 8.224 7.088 ( 3.837 -2.687 3.357) 5.763 7.195 ( -2.183 5.850 -3.982) 7.406 7.250 ( -7.767 -1.183 1.788) 8.058 7.316 ( 1.542 -1.412 4.768) 5.206 7.379 ( 13.583 -3.822 5.320) 15.080 7.428 ( -0.045 2.045 -6.863) 7.162 7.492 ( 2.869 1.050 4.908) 5.781 7.570 ( -6.422 -4.282 0.017) 7.719 7.616 ( -2.012 0.009 2.252) 3.020 7.741 ( 1.423 -0.450 -2.056) 2.541 7.815 ( -4.015 -3.437 1.646) 5.535 7.880 ( 4.815 -6.639 -7.266) 10.957 7.928 ( -1.368 -10.841 -6.140) 12.534 8.031 ( 2.948 4.519 0.408) 5.411 8.152 ( 6.333 -0.158 2.044) 6.656 8.197 ( -6.579 3.455 -0.903) 7.486 8.279 ( 2.351 -3.395 4.316) 5.974 8.318 ( 5.679 2.167 1.655) 6.299 8.456 ( -2.217 5.469 -5.460) 8.040 8.482 ( 4.113 2.758 4.446) 6.655 8.504 ( 0.270 -2.314 -2.214) 3.214 8.780 ( -4.759 6.047 -5.139) 9.253 8.796 ( 1.205 -1.393 4.326) 4.702 8.803 ( -2.796 -4.700 -2.004) 5.824 8.956 ( 5.454 -1.894 5.091) 7.697 9.004 ( 1.162 2.805 -5.062) 5.902 9.053 ( 4.418 0.956 -2.051) 4.964 9.214 ( 2.024 1.343 0.677) 2.521 9.274 ( 1.293 0.629 3.450) 3.737 9.337 ( -1.683 3.954 3.329) 5.436 9.354 ( -2.969 -4.372 -5.103) 7.346 9.515 ( 1.780 -3.030 1.911) 4.000 9.616 ( 6.369 5.602 1.511) 8.616 9.651 ( 1.341 7.584 6.052) 9.795 9.830 ( 0.545 7.438 0.448) 7.472 9.940 ( 6.775 9.462 -5.817) 13.010 10.009 ( 1.467 7.048 -5.590) 9.114 10.137 ( -7.222 2.991 10.357) 12.976 10.162 ( -4.796 1.413 -0.732) 5.053 10.265 ( -0.702 6.573 -1.601) 6.802 10.312 ( -5.306 3.357 1.729) 6.512 10.372 ( -3.851 0.136 -1.793) 4.250 10.458 ( 0.991 5.169 -1.913) 5.600 10.557 ( 1.974 -4.419 5.689) 7.469 10.678 ( 3.611 -2.656 -0.395) 4.500 10.767 ( -2.902 1.830 -9.494) 10.095 10.910 ( 2.756 2.606 -0.743) 3.865 10.967 ( -3.651 5.741 0.774) 6.847 11.064 ( -2.599 -3.084 4.149) 5.786 11.185 ( 3.806 -3.755 -0.970) 5.434 11.260 ( 2.524 -3.588 -4.355) 6.181 11.480 ( -4.191 -0.113 2.471) 4.867 11.542 ( -0.301 -0.062 2.208) 2.229 11.602 ( -3.826 0.441 2.865) 4.800 11.633 ( 1.378 -5.608 -0.723) 5.820 11.700 ( 0.175 -1.297 -3.015) 3.287 11.783 ( 2.235 -6.744 1.797) 7.329 11.839 ( 4.805 -5.255 -0.608) 7.146 11.868 ( 3.398 -6.093 0.273) 6.981 12.113 ( -0.101 -4.185 0.475) 4.213 12.191 ( 2.619 -2.434 -3.054) 4.703 12.371 ( -6.520 -6.441 2.442) 9.484 12.457 ( -3.610 -4.224 2.045) 5.920 12.519 ( -3.074 -4.001 -3.388) 6.078 12.552 ( 1.370 -10.174 -0.522) 10.279 13.032 ( 1.683 5.903 5.965) 8.559 13.185 ( 0.471 5.621 -4.284) 7.083 13.356 ( -2.019 6.223 0.550) 6.566 13.395 ( 2.544 3.243 3.277) 5.265 13.462 ( 2.143 3.473 -4.642) 6.181 13.512 ( 1.814 6.209 -2.189) 6.829 13.670 ( 1.741 5.809 2.935) 6.737 13.706 ( 0.262 7.125 -0.991) 7.198 13.785 ( -1.878 7.249 -0.727) 7.524 13.816 ( -0.701 1.702 0.907) 2.052 13.859 ( 1.374 6.063 0.160) 6.219 13.885 ( -0.521 3.901 -2.817) 4.840 14.432 ( 3.000 0.148 -2.268) 3.763 14.455 ( 5.478 -2.283 0.292) 5.942 14.542 ( 1.677 0.583 1.445) 2.289 14.598 ( 3.583 -2.081 -1.401) 4.374 14.968 ( 0.265 5.692 -1.712) 5.950 14.975 ( 0.634 5.489 -1.778) 5.804 15.254 ( -2.938 -2.466 1.897) 4.279 15.394 ( -0.678 -5.051 -0.119) 5.098 15.536 ( 1.484 2.249 -4.929) 5.618 15.599 ( 10.133 3.740 1.528) 10.908 16.267 ( -17.718 -23.967 9.643) 31.327 16.684 ( -5.822 -24.468 -0.929) 25.169 17.725 ( 0.383 5.269 -0.147) 5.285 17.877 ( 0.047 4.333 1.335) 4.534 17.927 ( 3.342 2.886 -0.871) 4.501 17.982 ( 6.991 0.241 -0.394) 7.006 18.114 ( -3.421 3.028 -0.433) 4.589 18.266 ( 4.847 6.319 -0.289) 7.969 18.360 ( -4.360 4.234 1.806) 6.340 18.473 ( 0.501 3.554 -0.789) 3.675 18.686 ( -4.205 1.405 -0.674) 4.485 18.763 ( -1.536 1.656 -0.822) 2.403 18.972 ( -2.972 1.386 -0.320) 3.294 19.076 ( 0.191 -2.195 1.820) 2.858 21.219 ( 3.757 0.012 7.907) 8.755 21.298 ( 2.373 -1.338 -6.269) 6.836 21.415 ( -5.838 6.076 5.597) 10.116 21.746 ( 2.757 2.001 -10.966) 11.483 22.679 ( -4.258 -2.397 -1.381) 5.077 22.733 ( 0.007 -0.773 1.751) 1.914 22.875 ( 0.320 -1.385 -0.162) 1.431 22.909 ( 3.373 -0.745 1.237) 3.670 23.005 ( 0.081 -3.841 0.393) 3.862 23.020 ( -4.488 -4.886 -0.769) 6.679 23.178 ( 0.718 -4.673 -2.975) 5.585 23.220 ( 1.267 -6.436 3.544) 7.456 ======================= Grid point 77 (35/70) ======================= q-point: ( 0.33 0.22 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 6.340 6.855 -4.076) 10.189 2.082 ( 6.318 10.232 -6.174) 13.518 2.126 ( 11.731 14.823 11.134) 21.939 2.293 ( -5.078 4.246 -2.947) 7.246 2.459 ( -1.045 3.988 -0.130) 4.125 2.488 ( 1.005 7.848 1.955) 8.150 2.556 ( 5.796 10.461 0.642) 11.976 2.671 ( -2.214 -4.054 -5.916) 7.506 2.711 ( -4.680 2.381 -0.182) 5.254 2.815 ( 1.371 7.261 -5.606) 9.275 2.903 ( -7.169 1.065 -0.939) 7.309 3.063 ( -7.461 3.679 8.312) 11.760 3.196 ( -10.902 1.725 2.620) 11.344 3.315 ( -9.635 -1.506 -3.789) 10.463 3.387 ( -2.989 -1.377 1.112) 3.474 3.444 ( -0.706 -0.838 6.111) 6.208 3.480 ( -6.643 -1.440 1.533) 6.968 3.581 ( 2.601 -6.713 -4.981) 8.754 3.621 ( 1.213 2.201 0.559) 2.574 3.665 ( 2.294 4.030 1.509) 4.877 3.709 ( 3.211 8.859 -3.751) 10.142 3.849 ( 2.287 2.147 0.822) 3.243 3.916 ( 7.681 2.635 -2.258) 8.429 4.016 ( -0.900 -1.356 7.518) 7.692 4.044 ( 6.380 2.877 -2.269) 7.357 4.072 ( 6.344 2.748 -4.731) 8.377 4.137 ( -0.275 -2.729 -1.147) 2.973 4.258 ( 4.292 0.302 2.963) 5.224 4.323 ( 0.762 -18.181 0.537) 18.205 4.385 ( 3.228 -2.176 3.000) 4.915 4.412 ( 5.013 -8.568 -6.604) 11.923 4.500 ( 3.009 3.001 1.496) 4.506 4.622 ( 8.774 -3.692 1.707) 9.671 4.727 ( -5.877 -9.119 4.695) 11.822 4.761 ( -0.100 -5.250 5.184) 7.379 4.915 ( 3.686 -2.551 3.385) 5.617 4.952 ( 4.037 0.740 -1.902) 4.523 5.014 ( 0.121 -1.643 -3.065) 3.480 5.089 ( -2.831 -3.970 -3.401) 5.945 5.144 ( -7.485 -1.761 -1.434) 7.822 5.182 ( -2.045 -3.413 -7.043) 8.090 5.384 ( 1.764 -4.752 -1.355) 5.247 5.460 ( -0.423 -1.826 2.458) 3.091 5.509 ( 0.282 -0.391 2.219) 2.271 5.519 ( -3.718 -3.802 4.711) 7.104 5.568 ( 5.004 -1.626 4.061) 6.646 5.642 ( -1.924 -3.688 -3.031) 5.146 5.678 ( 1.660 8.695 3.764) 9.619 5.768 ( -2.795 -2.163 -3.365) 4.879 5.824 ( -3.602 -2.056 0.387) 4.165 5.857 ( -3.567 -6.065 3.513) 7.864 5.981 ( 1.634 2.299 -0.233) 2.830 5.998 ( -7.748 0.232 6.230) 9.944 6.117 ( 2.901 -2.753 -8.861) 9.722 6.178 ( 4.997 2.370 2.474) 6.058 6.214 ( -6.638 6.272 2.861) 9.570 6.244 ( -1.067 -3.517 -3.121) 4.822 6.394 ( -2.143 -3.902 2.984) 5.359 6.479 ( 5.898 -0.868 -9.248) 11.003 6.508 ( -1.633 -8.704 -4.147) 9.779 6.549 ( -1.812 -1.612 0.718) 2.530 6.631 ( 3.461 2.523 0.996) 4.397 6.708 ( -5.246 -0.691 2.203) 5.731 6.787 ( -4.200 3.393 1.172) 5.525 6.891 ( -0.105 -3.368 1.083) 3.539 6.955 ( -7.843 -4.813 -4.945) 10.447 7.030 ( 3.832 -9.250 1.360) 10.104 7.090 ( -1.116 -4.415 1.408) 4.766 7.182 ( 4.223 -0.779 3.213) 5.363 7.203 ( 4.185 0.729 -3.437) 5.464 7.269 ( -3.104 0.611 -4.671) 5.641 7.368 ( -4.719 1.630 -3.267) 5.967 7.414 ( -4.037 -3.343 -5.207) 7.388 7.446 ( 0.208 4.909 -0.438) 4.933 7.585 ( -5.552 -4.087 3.632) 7.792 7.738 ( -4.717 -3.976 3.045) 6.879 7.764 ( 1.061 -2.532 6.947) 7.470 7.815 ( 3.023 -7.909 -5.639) 10.173 7.895 ( 8.157 -1.279 11.501) 14.158 7.930 ( 3.498 0.414 -6.133) 7.072 8.024 ( -1.135 -0.529 2.314) 2.631 8.132 ( 2.254 7.882 0.149) 8.199 8.219 ( -2.167 1.090 3.126) 3.957 8.317 ( 2.131 -1.036 -3.160) 3.949 8.339 ( -1.381 4.724 1.436) 5.127 8.410 ( -3.785 -7.218 -0.786) 8.188 8.544 ( -1.167 -3.630 -1.362) 4.049 8.611 ( 2.418 3.991 1.118) 4.799 8.648 ( 7.849 2.049 1.519) 8.253 8.764 ( 3.170 -2.120 1.226) 4.006 8.931 ( -1.478 -1.002 0.517) 1.859 8.976 ( 2.695 -2.534 1.791) 4.110 9.069 ( -1.616 2.133 -2.591) 3.725 9.132 ( 4.074 0.105 5.283) 6.672 9.182 ( -0.264 -0.874 -2.183) 2.366 9.284 ( -0.083 -7.610 -5.769) 9.550 9.335 ( 0.776 0.132 2.416) 2.541 9.430 ( 3.802 2.567 3.455) 5.743 9.559 ( 1.852 -2.064 0.835) 2.896 9.658 ( -1.370 0.219 -3.151) 3.443 9.723 ( 1.584 4.712 -0.766) 5.030 9.831 ( 4.441 7.706 0.226) 8.897 9.914 ( -3.910 1.733 -4.935) 6.530 10.026 ( -2.662 2.623 1.437) 4.004 10.096 ( 3.776 -0.295 3.178) 4.944 10.116 ( 0.026 5.999 -5.198) 7.937 10.157 ( -6.116 6.793 1.780) 9.312 10.225 ( -3.570 4.467 1.560) 5.927 10.394 ( 2.834 9.094 0.276) 9.530 10.479 ( -0.294 -3.679 -0.817) 3.780 10.569 ( -1.274 5.795 -0.697) 5.974 10.671 ( -5.982 1.366 0.791) 6.186 10.730 ( 2.856 1.149 2.495) 3.963 10.957 ( 2.569 11.458 -0.357) 11.748 10.970 ( 4.628 3.744 -0.795) 6.006 11.084 ( -0.093 -3.957 0.884) 4.055 11.179 ( -2.071 -6.702 -1.212) 7.118 11.236 ( 2.439 3.178 -1.266) 4.202 11.358 ( -4.967 3.085 -4.106) 7.145 11.512 ( -5.491 -0.826 0.576) 5.583 11.598 ( 0.976 -2.702 -3.173) 4.280 11.641 ( -0.785 2.217 -3.599) 4.300 11.667 ( 0.516 -7.296 3.492) 8.105 11.829 ( 1.088 -1.191 1.435) 2.159 11.940 ( 5.758 -11.028 -0.051) 12.441 11.974 ( 5.905 -6.059 2.562) 8.840 12.156 ( 1.137 -3.863 3.443) 5.298 12.186 ( -2.800 -4.908 -1.246) 5.786 12.291 ( -3.403 -1.233 -0.646) 3.676 12.418 ( -2.126 0.754 1.138) 2.526 12.434 ( -1.893 -11.309 -0.955) 11.506 12.536 ( -2.368 -9.127 -0.506) 9.443 13.129 ( 1.307 3.494 1.083) 3.885 13.182 ( 4.478 5.253 -0.850) 6.954 13.329 ( -2.149 2.952 -1.965) 4.147 13.393 ( -3.040 4.877 0.675) 5.786 13.468 ( 2.681 3.566 -0.791) 4.531 13.569 ( 3.658 4.875 1.193) 6.211 13.696 ( 0.985 9.684 -3.208) 10.249 13.729 ( -0.476 4.004 1.029) 4.161 13.744 ( 0.508 5.673 2.551) 6.241 13.826 ( -1.152 5.450 -1.036) 5.666 13.851 ( -1.306 5.002 2.427) 5.711 13.886 ( 2.550 4.792 -0.686) 5.472 14.476 ( 3.887 -2.862 -0.061) 4.827 14.543 ( 2.542 -2.819 1.490) 4.078 14.587 ( 2.875 -1.126 0.318) 3.104 14.634 ( 1.897 -3.964 -1.304) 4.584 14.949 ( 0.227 2.097 -1.443) 2.555 14.994 ( 2.722 4.964 1.930) 5.981 15.220 ( -3.737 -3.361 0.247) 5.032 15.402 ( 3.988 -3.794 -0.864) 5.572 15.544 ( 1.623 0.407 1.308) 2.123 15.821 ( 13.669 2.487 0.127) 13.894 16.039 ( -15.769 -13.699 1.136) 20.920 16.474 ( -16.789 -9.986 -0.235) 19.536 17.754 ( 1.388 3.453 0.590) 3.768 17.935 ( 2.778 3.487 -0.326) 4.470 17.977 ( 7.342 1.270 -1.084) 7.529 18.068 ( -1.568 0.305 0.883) 1.825 18.083 ( 4.965 0.068 -2.632) 5.620 18.301 ( -5.050 3.851 0.539) 6.373 18.335 ( 2.234 4.660 2.448) 5.718 18.471 ( -1.527 1.857 1.448) 2.806 18.616 ( -2.556 0.585 -0.037) 2.623 18.665 ( -5.968 0.821 -2.417) 6.491 18.942 ( 0.455 1.447 -1.463) 2.108 19.097 ( -1.068 3.257 1.527) 3.752 21.178 ( 2.401 -2.963 -8.562) 9.373 21.350 ( -4.358 0.107 2.129) 4.852 21.497 ( 4.917 1.077 8.930) 10.251 21.700 ( 0.156 -0.970 -0.739) 1.229 22.586 ( -3.771 -2.435 -0.724) 4.547 22.749 ( 0.542 -0.244 -0.598) 0.844 22.860 ( -2.557 -3.238 1.364) 4.345 22.920 ( -2.520 -4.181 -0.737) 4.937 23.001 ( 3.438 -0.927 -0.153) 3.564 23.035 ( 3.744 -1.108 -1.603) 4.220 23.174 ( 1.696 -4.051 -1.810) 4.750 23.219 ( -3.595 -4.872 1.225) 6.178 ======================= Grid point 78 (36/70) ======================= q-point: (-0.50 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 4.355 -1.023 1.759) 4.807 2.053 ( 0.482 3.652 -9.617) 10.298 2.241 ( -8.101 10.346 -0.439) 13.148 2.266 ( -5.825 13.801 0.033) 14.980 2.416 ( 9.789 6.296 1.436) 11.727 2.477 ( 3.131 5.710 -4.529) 7.932 2.602 ( -8.862 10.959 2.492) 14.312 2.725 ( 5.738 5.966 1.986) 8.512 2.738 ( 1.419 0.416 7.371) 7.518 2.794 ( 2.217 3.667 0.367) 4.301 2.946 ( 16.876 0.356 -3.249) 17.189 3.003 ( -8.636 2.145 2.668) 9.290 3.115 ( -1.819 0.207 5.207) 5.519 3.162 ( -2.128 3.179 1.576) 4.137 3.311 ( -3.677 -3.496 -3.189) 5.992 3.363 ( -5.290 1.105 0.071) 5.405 3.418 ( -7.148 -0.535 4.088) 8.252 3.590 ( 3.084 -2.402 -5.535) 6.776 3.619 ( -2.917 0.147 -3.784) 4.780 3.698 ( 3.946 0.578 2.684) 4.807 3.738 ( 3.774 1.176 -3.262) 5.125 3.873 ( -0.175 -0.313 -2.356) 2.383 3.936 ( -5.548 -4.978 2.850) 7.981 3.994 ( -1.821 0.967 -5.544) 5.915 4.057 ( -2.002 0.123 2.485) 3.193 4.164 ( 4.871 -1.032 0.344) 4.991 4.221 ( 3.159 0.500 1.802) 3.671 4.291 ( 4.004 -11.044 -6.615) 13.482 4.354 ( -2.899 -5.372 1.613) 6.314 4.367 ( 0.608 -1.964 -0.240) 2.070 4.546 ( -0.817 -6.457 2.785) 7.079 4.581 ( 4.566 -1.390 3.892) 6.158 4.710 ( 6.438 -2.782 2.285) 7.376 4.743 ( -0.342 -2.537 3.856) 4.628 4.847 ( -9.929 0.717 2.436) 10.249 4.866 ( -1.761 -5.937 1.564) 6.387 4.953 ( -1.462 4.010 -4.639) 6.304 4.977 ( 0.617 2.370 -4.287) 4.937 5.068 ( 0.530 -1.688 1.730) 2.474 5.129 ( 3.039 -10.739 8.449) 13.998 5.152 ( 4.398 -4.112 0.610) 6.052 5.350 ( -2.819 2.598 -1.597) 4.153 5.379 ( -1.301 5.271 -7.126) 8.959 5.471 ( 2.998 -4.441 -1.111) 5.472 5.526 ( -2.483 -3.823 3.240) 5.593 5.576 ( 0.634 -6.693 0.592) 6.749 5.616 ( -5.722 -0.353 -6.277) 8.501 5.657 ( -1.709 -9.148 0.161) 9.308 5.748 ( -3.293 -3.433 3.131) 5.695 5.793 ( -5.253 6.938 1.182) 8.782 5.849 ( 6.871 7.879 -2.893) 10.847 5.967 ( 2.106 -1.464 9.754) 10.085 5.995 ( -1.229 -5.884 -6.294) 8.703 6.110 ( 0.595 -4.554 -2.762) 5.359 6.201 ( -1.136 -4.398 7.444) 8.720 6.234 ( -0.332 3.082 3.656) 4.793 6.359 ( -0.685 -1.758 -7.116) 7.362 6.400 ( 1.447 5.426 7.235) 9.159 6.432 ( 2.971 -2.707 3.131) 5.095 6.497 ( 1.821 3.180 -5.880) 6.928 6.580 ( 8.973 -0.794 0.182) 9.010 6.612 ( -1.197 -0.046 0.968) 1.540 6.676 ( -8.615 -4.686 -0.587) 9.825 6.787 ( -0.667 -3.710 -2.053) 4.292 6.819 ( 7.957 2.277 0.206) 8.279 6.877 ( -5.289 -6.566 2.254) 8.727 7.061 ( -0.939 -3.802 -2.568) 4.683 7.116 ( -1.606 2.429 -5.862) 6.545 7.136 ( -3.490 -3.728 -9.029) 10.374 7.163 ( 4.237 4.239 -5.933) 8.434 7.249 ( 7.386 -1.463 -1.266) 7.636 7.299 ( -0.358 0.072 -1.793) 1.830 7.402 ( 5.068 -3.780 -0.613) 6.352 7.507 ( -0.207 -0.773 5.385) 5.444 7.543 ( -3.032 1.390 4.320) 5.458 7.668 ( -5.460 -3.313 2.085) 6.718 7.714 ( -1.171 5.978 -2.851) 6.725 7.780 ( -7.138 -3.315 -4.560) 9.096 7.902 ( 5.138 -9.400 1.887) 10.878 8.068 ( -0.701 -3.880 2.170) 4.501 8.124 ( -2.239 -6.231 6.248) 9.103 8.185 ( 2.751 7.210 4.873) 9.127 8.277 ( -0.636 -3.779 3.747) 5.360 8.300 ( -0.968 1.443 2.194) 2.799 8.337 ( 4.475 4.995 1.459) 6.863 8.425 ( 0.513 -1.676 5.767) 6.027 8.541 ( 1.148 -4.356 -2.977) 5.400 8.629 ( -1.262 -1.990 0.792) 2.486 8.757 ( -2.396 1.631 3.885) 4.847 8.823 ( -0.934 1.315 -3.349) 3.717 8.880 ( -5.317 5.783 -0.055) 7.856 8.982 ( 8.927 0.412 2.253) 9.216 9.040 ( -4.363 -5.775 -5.450) 9.060 9.146 ( 5.177 -10.797 -0.769) 11.998 9.185 ( -3.715 1.445 -0.353) 4.001 9.244 ( -1.385 -3.377 -1.682) 4.019 9.329 ( 3.124 1.674 -2.819) 4.529 9.463 ( -2.575 4.042 2.110) 5.236 9.569 ( 3.204 -7.114 -3.133) 8.408 9.605 ( -4.432 -0.344 -1.608) 4.727 9.702 ( -4.765 2.583 -4.059) 6.771 9.813 ( 3.828 0.286 -3.306) 5.066 9.943 ( 0.302 0.504 5.197) 5.230 10.001 ( -1.594 0.779 -1.170) 2.125 10.025 ( -0.741 5.810 0.638) 5.892 10.094 ( 0.525 2.190 -2.214) 3.158 10.228 ( -1.747 7.517 4.782) 9.079 10.275 ( 4.271 4.346 2.650) 6.644 10.423 ( -4.558 0.951 0.302) 4.666 10.454 ( 7.686 13.071 -4.263) 15.751 10.545 ( -2.053 2.174 2.041) 3.620 10.616 ( 0.153 4.550 -0.315) 4.564 10.760 ( -1.273 6.673 3.155) 7.490 10.953 ( -0.473 11.677 -3.185) 12.113 11.030 ( -3.110 -1.093 0.063) 3.297 11.090 ( 5.383 -1.927 -4.420) 7.227 11.190 ( 1.451 0.801 4.792) 5.070 11.270 ( -1.219 -2.293 1.832) 3.178 11.318 ( 3.512 0.429 1.775) 3.958 11.447 ( -0.630 -0.575 -2.339) 2.490 11.527 ( -1.431 -3.137 -4.670) 5.805 11.600 ( 0.209 0.859 -3.449) 3.560 11.735 ( 2.325 -2.291 3.143) 4.531 11.827 ( -1.869 1.478 -1.233) 2.683 12.014 ( 1.606 -12.535 0.432) 12.644 12.024 ( -3.645 -7.434 -0.286) 8.284 12.122 ( -1.953 -4.101 2.137) 5.020 12.200 ( -0.046 -4.218 1.524) 4.485 12.259 ( 2.467 0.111 0.211) 2.479 12.359 ( -1.843 -4.909 -3.711) 6.424 12.473 ( 0.230 -6.509 2.321) 6.914 12.506 ( 1.313 -10.421 0.501) 10.515 13.126 ( -0.754 2.401 -0.826) 2.649 13.209 ( -1.654 2.595 -4.134) 5.153 13.294 ( 3.143 4.203 0.882) 5.322 13.350 ( -2.333 7.014 -0.950) 7.453 13.503 ( 0.904 3.814 0.891) 4.020 13.602 ( -0.581 4.249 -2.252) 4.843 13.692 ( 3.238 6.045 -0.367) 6.867 13.738 ( -2.157 4.994 1.218) 5.574 13.764 ( -1.470 4.754 1.867) 5.315 13.827 ( 0.746 8.004 3.253) 8.672 13.861 ( 0.785 2.788 0.040) 2.896 13.911 ( 0.053 7.110 -0.124) 7.111 14.542 ( 1.927 -3.917 1.699) 4.684 14.571 ( -1.634 -2.280 2.389) 3.684 14.611 ( -1.747 -3.060 -0.699) 3.592 14.647 ( 2.061 -3.848 -0.477) 4.391 14.985 ( 3.273 -1.378 2.301) 4.231 15.060 ( -2.156 -0.019 2.105) 3.013 15.204 ( 2.725 -1.273 4.737) 5.611 15.495 ( 3.262 -0.857 4.485) 5.612 15.582 ( 3.081 -1.900 -2.348) 4.315 15.732 ( -13.580 -1.960 -5.179) 14.666 16.108 ( 19.015 -4.025 -2.006) 19.540 16.163 ( -16.869 -2.820 -1.965) 17.216 17.783 ( -0.195 3.638 2.757) 4.569 17.939 ( 1.014 2.665 -3.607) 4.598 18.043 ( -1.935 0.679 0.375) 2.085 18.093 ( -2.629 0.306 -1.977) 3.303 18.125 ( 8.583 2.885 -0.226) 9.057 18.180 ( -5.195 0.607 -2.031) 5.610 18.420 ( -0.852 4.315 4.529) 6.313 18.450 ( -0.060 -2.651 1.799) 3.204 18.565 ( -1.340 0.530 -1.772) 2.284 18.618 ( 2.893 3.596 -1.068) 4.737 18.959 ( 2.237 1.201 0.851) 2.678 19.054 ( -2.985 5.182 -2.709) 6.565 21.163 ( 3.680 -2.827 -3.385) 5.744 21.264 ( -3.320 -0.507 -5.772) 6.678 21.602 ( -4.995 -1.816 9.951) 11.282 21.766 ( 5.222 -2.857 3.273) 6.792 22.579 ( 1.671 -2.176 2.705) 3.853 22.721 ( -0.751 -0.447 -3.757) 3.857 22.841 ( -1.555 -3.621 1.423) 4.189 22.891 ( 0.803 -4.589 -1.016) 4.769 23.029 ( -0.939 0.296 -0.493) 1.101 23.078 ( 3.876 -0.634 -2.819) 4.835 23.161 ( -4.044 -3.699 1.233) 5.618 23.190 ( 1.772 -4.153 -0.429) 4.536 ======================= Grid point 79 (37/70) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -6.582 13.305 0.553) 14.854 1.900 ( -15.334 13.756 -6.355) 21.558 2.101 ( 10.249 3.683 -0.572) 10.906 2.156 ( -16.539 7.406 3.216) 18.404 2.493 ( 2.246 4.601 -0.561) 5.150 2.522 ( -0.969 6.560 7.629) 10.108 2.618 ( 5.622 3.024 -4.924) 8.062 2.657 ( 3.494 3.777 -2.109) 5.561 2.834 ( 4.835 -0.140 -5.046) 6.990 2.900 ( -0.397 5.941 -0.596) 5.984 2.980 ( 2.206 5.482 -3.081) 6.665 3.147 ( -0.081 0.261 1.030) 1.066 3.191 ( 7.932 12.085 1.973) 14.590 3.243 ( 3.155 3.749 2.088) 5.326 3.264 ( -0.026 -3.420 1.998) 3.961 3.331 ( -7.704 0.379 10.116) 12.721 3.352 ( 9.242 5.883 -5.013) 12.048 3.507 ( -4.352 13.166 1.355) 13.933 3.618 ( 4.952 -3.350 -0.311) 5.987 3.724 ( -0.689 -0.905 -3.245) 3.439 3.775 ( 3.058 -0.541 2.189) 3.799 3.828 ( -8.484 -6.988 2.792) 11.340 3.847 ( -1.744 -1.905 -2.035) 3.288 3.939 ( -1.183 -2.035 0.064) 2.355 4.070 ( -1.343 -1.745 -0.330) 2.226 4.081 ( 3.457 -3.813 -6.106) 7.986 4.214 ( -8.401 0.608 2.306) 8.733 4.271 ( -8.528 -6.785 4.033) 11.620 4.357 ( 3.865 -8.104 -3.433) 9.613 4.373 ( 4.124 -5.410 -2.769) 7.345 4.517 ( -11.423 -7.249 -2.995) 13.856 4.583 ( 0.812 2.665 4.677) 5.443 4.650 ( 4.034 -9.078 0.744) 9.962 4.766 ( -3.372 -10.086 -3.022) 11.055 4.864 ( -2.707 -2.994 5.642) 6.937 4.912 ( -1.677 1.136 2.592) 3.290 4.983 ( -3.935 -4.342 -2.108) 6.227 5.049 ( 4.745 4.404 4.723) 8.013 5.113 ( 9.392 -6.157 2.935) 11.607 5.186 ( -2.295 3.514 -1.546) 4.473 5.217 ( 1.597 0.418 -1.431) 2.184 5.296 ( 2.076 -6.934 -0.850) 7.288 5.386 ( -4.319 -0.696 3.565) 5.643 5.423 ( -0.185 -4.932 0.519) 4.963 5.486 ( -3.080 1.704 -0.935) 3.642 5.517 ( -1.468 -2.247 -4.758) 5.463 5.574 ( 0.104 -0.154 4.287) 4.291 5.650 ( -4.806 -6.597 -3.521) 8.889 5.720 ( 9.345 -5.879 1.553) 11.149 5.842 ( 1.811 -6.923 -1.294) 7.272 5.910 ( 7.522 0.132 -2.208) 7.841 5.978 ( 3.994 -0.975 0.900) 4.209 6.063 ( -6.572 0.295 -3.231) 7.329 6.094 ( -0.149 2.618 7.055) 7.526 6.190 ( -1.867 -3.335 0.504) 3.855 6.232 ( 2.015 2.977 1.935) 4.083 6.326 ( 0.080 5.527 -5.710) 7.947 6.374 ( 0.490 -3.891 -1.381) 4.158 6.446 ( -3.856 2.061 2.475) 5.024 6.546 ( 3.569 2.173 5.135) 6.620 6.578 ( -0.315 -4.390 -3.560) 5.661 6.637 ( 5.564 -5.843 -3.258) 8.701 6.756 ( -3.440 -3.734 -5.269) 7.317 6.828 ( 1.437 -5.683 4.460) 7.365 6.882 ( 5.371 -3.908 2.481) 7.090 6.920 ( 3.305 3.869 1.649) 5.349 6.961 ( 1.026 1.326 4.925) 5.202 7.004 ( 0.690 7.979 -7.739) 11.137 7.091 ( 4.796 -3.414 -0.681) 5.926 7.192 ( 0.632 -4.249 -7.529) 8.669 7.301 ( 6.748 1.421 -3.840) 7.893 7.351 ( -1.280 -2.941 0.037) 3.208 7.412 ( 4.233 1.831 -4.184) 6.227 7.456 ( -8.101 4.038 2.590) 9.415 7.555 ( 0.316 -5.928 -0.779) 5.988 7.622 ( 0.532 -3.934 5.161) 6.511 7.734 ( 1.187 -1.020 4.773) 5.023 7.804 ( 5.630 0.289 3.469) 6.619 8.000 ( -2.619 -2.670 -1.419) 4.000 8.030 ( 1.624 -5.764 -5.082) 7.854 8.111 ( -0.188 -7.379 4.324) 8.555 8.193 ( -7.559 -1.755 1.748) 7.955 8.222 ( -11.113 1.838 -0.595) 11.280 8.300 ( -1.291 4.716 0.155) 4.892 8.416 ( -0.338 3.343 -1.093) 3.533 8.446 ( 0.987 1.485 4.985) 5.294 8.512 ( -3.184 -5.388 2.510) 6.743 8.640 ( -8.357 -2.276 -1.060) 8.726 8.667 ( 3.854 3.154 -0.973) 5.074 8.788 ( 5.635 -1.669 4.284) 7.273 8.887 ( -4.414 -5.571 -3.385) 7.873 8.966 ( -4.011 -3.289 3.228) 6.110 9.057 ( 5.762 2.008 -1.397) 6.260 9.152 ( -0.184 -8.066 -4.855) 9.416 9.208 ( 2.936 9.595 2.518) 10.345 9.278 ( 7.909 0.064 -0.519) 7.926 9.333 ( -7.317 2.361 -4.314) 8.816 9.432 ( -3.281 2.623 7.449) 8.552 9.476 ( -2.866 -5.046 0.688) 5.844 9.532 ( -2.099 5.267 3.079) 6.452 9.688 ( 3.283 0.615 -4.496) 5.601 9.780 ( -12.449 2.500 -0.904) 12.730 9.927 ( 3.570 -2.245 -3.449) 5.448 10.008 ( -0.500 -0.189 -2.631) 2.684 10.062 ( 8.494 2.349 1.594) 8.956 10.117 ( 1.676 5.713 -1.940) 6.262 10.236 ( -3.871 6.669 5.324) 9.370 10.281 ( -1.156 4.795 0.238) 4.938 10.359 ( 0.016 7.126 -4.264) 8.304 10.525 ( -0.585 7.782 1.240) 7.902 10.539 ( 0.293 -1.305 1.623) 2.103 10.712 ( 3.426 4.837 -0.212) 5.931 10.809 ( 6.609 6.375 2.262) 9.457 10.893 ( -0.814 -0.932 -1.536) 1.972 10.964 ( -2.203 11.928 0.059) 12.130 11.123 ( -3.222 0.848 4.119) 5.297 11.165 ( 0.379 -6.226 -5.100) 8.057 11.308 ( -1.705 -2.917 -1.569) 3.725 11.376 ( -2.788 -6.604 -5.866) 9.263 11.415 ( 6.097 2.725 -0.251) 6.683 11.495 ( 0.747 1.411 3.315) 3.679 11.615 ( 4.352 -1.203 -1.958) 4.922 11.751 ( -1.886 -1.794 -1.691) 3.104 11.807 ( 0.528 -0.143 1.922) 1.999 11.931 ( -6.257 -8.406 0.253) 10.482 11.981 ( -6.435 -11.181 1.542) 12.993 12.159 ( 3.283 -3.100 3.889) 5.959 12.236 ( 2.392 -4.939 -0.108) 5.489 12.268 ( -1.459 -2.399 -2.278) 3.616 12.361 ( 4.715 -2.570 0.932) 5.450 12.496 ( 2.093 -6.801 -0.111) 7.116 12.546 ( 1.735 -10.913 -0.606) 11.067 13.068 ( -4.633 3.948 0.932) 6.159 13.181 ( 1.353 2.275 -0.082) 2.648 13.300 ( -0.609 7.020 -2.728) 7.556 13.361 ( 1.313 3.217 0.860) 3.580 13.503 ( 0.029 8.009 0.024) 8.009 13.592 ( 1.991 2.162 -0.096) 2.940 13.657 ( -4.161 5.771 -2.110) 7.421 13.759 ( 1.272 4.969 1.630) 5.382 13.774 ( -1.615 3.274 3.399) 4.988 13.842 ( -0.168 5.236 -2.014) 5.612 13.875 ( -1.308 7.152 0.187) 7.273 13.907 ( 1.326 5.971 0.448) 6.132 14.533 ( -3.829 -2.670 -1.548) 4.918 14.553 ( -3.693 -2.957 1.895) 5.096 14.565 ( -2.502 -0.936 0.932) 2.829 14.655 ( -0.737 -5.126 -0.760) 5.234 14.996 ( -2.196 -1.228 -2.195) 3.339 15.077 ( 1.583 -1.867 3.544) 4.307 15.304 ( -3.807 -0.483 3.346) 5.091 15.386 ( -6.330 -0.630 -5.892) 8.671 15.583 ( 1.779 0.213 -2.492) 3.069 15.774 ( 6.429 2.405 12.097) 13.908 15.889 ( -6.339 -4.660 -5.633) 9.676 16.425 ( 18.529 -13.041 -0.466) 22.663 17.800 ( -2.905 2.568 2.262) 4.489 17.868 ( -3.021 2.089 -3.078) 4.792 17.987 ( -4.156 3.865 -0.499) 5.698 18.017 ( -2.279 0.347 0.482) 2.356 18.121 ( -0.986 -0.135 -1.298) 1.635 18.251 ( 5.611 6.296 0.685) 8.461 18.383 ( -3.621 2.207 1.593) 4.530 18.500 ( -0.052 2.844 2.303) 3.660 18.599 ( 5.365 1.172 -0.950) 5.573 18.679 ( 6.138 -0.037 -2.240) 6.535 18.953 ( -2.969 4.141 -2.491) 5.672 19.043 ( 3.674 0.307 2.652) 4.541 21.112 ( -5.787 -1.219 -5.791) 8.277 21.215 ( 3.562 0.863 1.140) 3.838 21.612 ( -4.853 -1.416 6.909) 8.561 21.891 ( 6.472 -4.734 0.007) 8.019 22.658 ( 0.140 -1.583 -4.331) 4.613 22.668 ( 3.105 -1.781 2.847) 4.574 22.842 ( 0.623 -3.856 0.970) 4.025 22.919 ( 1.514 -2.681 -0.770) 3.173 22.980 ( -1.673 -0.642 -0.014) 1.792 23.053 ( -3.125 -1.461 -2.324) 4.159 23.132 ( -1.053 -2.540 -0.549) 2.804 23.221 ( 1.494 -4.586 0.638) 4.865 ======================= Grid point 80 (38/70) ======================= q-point: (-0.17 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -14.511 27.419 -3.024) 31.169 1.704 ( -14.364 27.020 10.815) 32.456 1.998 ( -3.388 0.053 5.169) 6.181 2.333 ( 11.186 0.475 1.497) 11.296 2.469 ( 1.242 4.022 -7.984) 9.025 2.631 ( 4.123 4.027 0.854) 5.826 2.658 ( 5.162 4.714 -0.103) 6.991 2.707 ( 1.957 5.081 -2.872) 6.156 2.790 ( -0.351 4.095 -7.019) 8.133 2.900 ( 5.691 8.128 -3.208) 10.427 2.992 ( 2.188 8.964 1.633) 9.371 3.102 ( -7.336 20.386 2.944) 21.865 3.192 ( -0.860 13.180 2.638) 13.469 3.276 ( -1.059 3.670 3.460) 5.154 3.303 ( 1.551 -2.849 1.956) 3.788 3.367 ( -0.893 3.607 5.012) 6.239 3.486 ( -2.106 1.522 -0.511) 2.648 3.587 ( 5.465 -4.299 0.808) 6.999 3.670 ( 3.126 1.880 0.186) 3.653 3.683 ( 0.142 -3.001 -3.038) 4.273 3.745 ( -2.531 -4.955 1.116) 5.674 3.785 ( 1.305 -5.763 3.465) 6.850 3.853 ( -1.927 -0.213 -2.659) 3.291 3.971 ( 2.731 0.865 -3.035) 4.173 4.031 ( -0.423 -6.475 2.395) 6.917 4.079 ( -0.804 -2.529 0.343) 2.676 4.176 ( -2.336 -2.376 0.118) 3.334 4.246 ( 7.516 -2.633 -2.737) 8.421 4.309 ( -1.180 -16.698 0.823) 16.760 4.384 ( 2.441 -0.203 -2.489) 3.492 4.492 ( 4.805 -5.506 -2.097) 7.603 4.564 ( -6.506 -13.155 -4.217) 15.270 4.664 ( -1.652 1.002 -0.511) 1.998 4.686 ( 2.453 -0.159 -3.691) 4.435 4.815 ( -7.760 -3.052 1.135) 8.416 4.855 ( -2.590 -7.965 2.595) 8.769 4.931 ( -2.864 0.051 -0.490) 2.907 5.021 ( -4.504 -1.093 3.235) 5.652 5.092 ( -7.501 -12.370 -2.716) 14.720 5.135 ( -3.891 -1.548 -1.705) 4.521 5.168 ( -7.551 2.757 -1.084) 8.112 5.330 ( 4.133 7.962 -2.058) 9.204 5.379 ( -0.642 -1.735 -2.220) 2.889 5.440 ( 0.045 -0.786 7.356) 7.398 5.478 ( 0.812 -2.414 0.650) 2.628 5.518 ( -1.768 -5.079 2.302) 5.850 5.580 ( 1.562 -2.091 6.894) 7.372 5.723 ( -4.737 -2.997 -0.712) 5.651 5.794 ( -0.972 -5.568 -3.568) 6.684 5.815 ( 5.629 2.159 -6.654) 8.979 5.881 ( 2.600 -6.028 0.209) 6.568 5.995 ( 2.713 -4.106 0.102) 4.923 6.121 ( -3.465 -2.585 2.961) 5.240 6.138 ( 5.023 -2.639 7.957) 9.773 6.206 ( -2.736 -3.644 -5.355) 7.032 6.269 ( -2.596 3.484 -1.286) 4.531 6.331 ( 6.037 0.695 -6.645) 9.005 6.367 ( 5.938 -5.321 5.186) 9.512 6.490 ( 1.466 0.467 0.573) 1.642 6.573 ( 1.157 0.004 0.189) 1.173 6.623 ( 6.285 -1.664 -5.507) 8.520 6.639 ( 5.992 -0.256 -6.623) 8.935 6.771 ( 3.135 0.130 3.278) 4.538 6.796 ( -0.053 -1.863 1.003) 2.116 6.940 ( -2.167 -1.038 4.426) 5.036 6.969 ( 6.267 1.034 1.273) 6.478 7.061 ( -0.119 -7.774 2.659) 8.217 7.068 ( 1.316 -8.348 1.896) 8.661 7.144 ( 2.024 5.792 4.433) 7.570 7.175 ( 3.358 -1.854 -0.314) 3.848 7.303 ( -1.656 0.516 -4.553) 4.873 7.350 ( 4.204 -0.514 -1.371) 4.452 7.380 ( 1.490 -3.050 1.372) 3.661 7.496 ( -10.485 -3.505 -1.999) 11.235 7.547 ( 6.936 1.007 2.193) 7.344 7.676 ( -2.123 -5.409 3.927) 7.013 7.697 ( -7.468 1.846 1.745) 7.888 7.864 ( -7.777 -3.646 -2.515) 8.950 7.906 ( 0.391 -3.759 0.773) 3.858 7.955 ( 1.664 -10.200 -6.923) 12.439 8.049 ( -3.436 3.249 -0.444) 4.750 8.126 ( 1.992 1.536 -2.980) 3.900 8.224 ( 3.312 2.553 7.222) 8.345 8.280 ( -2.835 0.945 -3.318) 4.465 8.324 ( -9.481 1.584 2.098) 9.839 8.435 ( -1.777 -5.284 0.509) 5.598 8.488 ( 2.339 -2.081 -2.478) 3.993 8.607 ( 2.895 -3.527 0.908) 4.653 8.704 ( 0.958 2.246 -2.352) 3.390 8.846 ( -0.973 5.254 -8.122) 9.722 8.929 ( -0.662 3.344 7.474) 8.215 9.001 ( 6.367 -2.790 5.009) 8.568 9.052 ( -2.338 5.469 -4.986) 7.761 9.097 ( 1.026 -11.421 -2.293) 11.694 9.186 ( -1.909 4.403 -1.549) 5.043 9.224 ( -2.908 5.100 -0.691) 5.911 9.404 ( -7.530 5.043 4.629) 10.177 9.427 ( 3.967 7.349 3.200) 8.943 9.494 ( -0.015 -2.221 1.768) 2.839 9.527 ( -4.340 0.144 -4.484) 6.243 9.560 ( -6.223 -0.902 1.381) 6.438 9.715 ( 1.561 9.353 7.233) 11.926 9.863 ( 3.786 7.646 -1.373) 8.642 10.028 ( -6.598 6.001 -6.856) 11.249 10.084 ( -1.648 3.713 3.064) 5.089 10.162 ( 3.227 7.569 -1.627) 8.388 10.245 ( 0.280 8.811 -2.576) 9.184 10.299 ( 5.470 3.789 4.027) 7.778 10.405 ( 7.082 -5.092 3.660) 9.459 10.518 ( -3.871 0.784 0.021) 3.949 10.556 ( 0.095 -2.425 -1.839) 3.045 10.661 ( -1.497 -1.227 0.636) 2.037 10.852 ( -1.059 5.704 -4.314) 7.230 10.922 ( 0.890 10.475 -0.380) 10.519 11.034 ( 5.166 2.193 -2.799) 6.271 11.089 ( 2.428 -6.758 2.283) 7.535 11.149 ( -2.007 10.188 -1.891) 10.554 11.209 ( -4.872 -10.355 2.889) 11.803 11.315 ( 2.113 -6.975 -2.338) 7.654 11.501 ( 3.418 3.093 2.315) 5.158 11.521 ( -1.369 -3.087 0.639) 3.437 11.677 ( 3.301 -0.018 0.046) 3.302 11.727 ( -0.795 -8.798 -0.265) 8.838 11.802 ( -4.571 -6.055 1.318) 7.700 11.831 ( -2.433 -5.025 -0.576) 5.613 11.888 ( -5.081 -6.979 0.700) 8.661 12.208 ( -0.743 -3.082 -2.892) 4.291 12.233 ( 0.264 -2.998 -1.143) 3.219 12.327 ( 6.192 -3.683 3.073) 7.833 12.434 ( 1.197 -7.773 1.688) 8.044 12.545 ( 4.563 -2.184 -1.874) 5.395 12.552 ( 0.228 -10.511 -0.813) 10.545 13.021 ( -3.725 5.215 2.350) 6.826 13.213 ( 0.911 3.095 1.476) 3.548 13.266 ( -0.173 3.426 -1.118) 3.608 13.379 ( 1.185 4.043 1.041) 4.340 13.530 ( 1.112 5.688 -0.067) 5.797 13.569 ( -1.155 6.563 -4.081) 7.814 13.637 ( 1.717 5.936 0.476) 6.198 13.745 ( -3.001 5.312 0.098) 6.101 13.795 ( -0.679 -0.396 0.686) 1.043 13.806 ( -0.622 6.847 0.248) 6.879 13.853 ( 0.989 8.253 -2.396) 8.650 13.929 ( 0.753 4.293 -0.804) 4.432 14.427 ( -5.501 -3.115 -2.086) 6.657 14.497 ( -4.316 0.439 1.875) 4.726 14.514 ( -3.543 0.976 -0.559) 3.717 14.600 ( -2.835 -4.928 -1.439) 5.864 14.979 ( 1.471 2.057 -1.277) 2.833 15.037 ( -2.701 4.643 -3.471) 6.395 15.261 ( -0.219 -2.232 2.403) 3.287 15.333 ( 1.422 -1.879 -2.051) 3.124 15.551 ( -7.905 2.394 2.574) 8.652 15.686 ( 0.259 -5.117 -8.136) 9.615 16.157 ( 9.812 -6.716 14.895) 19.059 16.668 ( 9.267 -26.099 -1.277) 27.725 17.733 ( -1.136 4.489 -0.199) 4.635 17.856 ( -0.458 3.646 1.175) 3.858 17.928 ( -2.218 3.841 -0.913) 4.528 17.959 ( -4.555 1.880 -0.154) 4.930 18.124 ( 2.581 1.720 -0.571) 3.154 18.278 ( -3.658 6.411 0.441) 7.394 18.404 ( 3.740 2.957 1.729) 5.072 18.493 ( -1.931 5.170 -1.255) 5.659 18.671 ( 3.875 3.920 -0.691) 5.555 18.748 ( 3.336 -0.438 -0.703) 3.437 18.929 ( 2.128 0.211 0.021) 2.139 19.120 ( 1.313 -1.367 1.380) 2.345 20.985 ( -4.180 -0.843 1.049) 4.392 21.296 ( 1.555 4.348 4.465) 6.423 21.586 ( -2.157 0.537 -1.559) 2.715 21.947 ( 4.509 -6.269 -8.982) 11.845 22.652 ( 3.137 -1.555 -0.839) 3.600 22.733 ( 2.372 -0.584 1.462) 2.847 22.874 ( -2.275 -0.488 -0.065) 2.328 22.909 ( 3.289 -3.730 3.440) 6.047 22.939 ( -5.978 -0.753 -1.865) 6.307 23.032 ( 4.165 -4.247 -0.307) 5.957 23.083 ( -3.821 -2.718 -0.028) 4.689 23.245 ( -0.178 -5.040 0.968) 5.135 ======================= Grid point 81 (39/70) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 4.003 23.258 5.908) 24.328 2.092 ( -2.256 7.880 9.069) 12.224 2.231 ( -0.719 19.499 3.517) 19.827 2.381 ( -1.472 0.624 -0.001) 1.599 2.444 ( -1.791 -4.142 1.799) 4.858 2.585 ( -1.168 -6.395 -5.847) 8.743 2.715 ( 0.298 3.606 -8.640) 9.367 2.784 ( 5.404 3.003 -6.439) 8.927 2.835 ( 3.461 1.711 4.600) 6.006 3.012 ( -3.719 0.053 -1.141) 3.890 3.103 ( 0.498 -0.056 3.179) 3.218 3.149 ( 0.052 0.259 -3.364) 3.375 3.261 ( 3.926 0.291 -5.974) 7.154 3.306 ( -3.752 -2.128 1.780) 4.666 3.354 ( 3.033 -7.543 -1.721) 8.310 3.429 ( 4.260 6.129 0.369) 7.474 3.562 ( -3.067 -2.915 2.992) 5.182 3.608 ( -3.495 -5.064 0.884) 6.216 3.631 ( -6.441 7.485 2.554) 10.199 3.694 ( 5.858 -3.140 0.001) 6.647 3.708 ( -2.149 -0.093 0.261) 2.166 3.735 ( -3.952 -0.707 -1.765) 4.386 3.877 ( 1.269 -4.721 -0.656) 4.932 3.901 ( 2.093 2.944 -1.665) 3.977 4.049 ( 4.206 6.861 -3.114) 8.629 4.100 ( -2.287 -7.342 6.733) 10.221 4.161 ( -2.220 5.780 -7.449) 9.687 4.191 ( 1.746 0.125 1.957) 2.626 4.294 ( -0.195 -10.166 4.579) 11.151 4.358 ( 4.513 9.333 8.252) 13.250 4.410 ( -3.110 -6.806 1.099) 7.563 4.489 ( 2.773 0.846 4.252) 5.146 4.537 ( -9.660 -6.567 2.833) 12.019 4.579 ( 3.880 -9.173 0.521) 9.973 4.686 ( -1.407 0.174 1.848) 2.329 4.741 ( -0.128 -9.248 -3.507) 9.892 4.843 ( 9.188 -1.821 4.153) 10.246 4.962 ( -5.599 1.655 2.875) 6.508 4.978 ( 0.430 -0.110 -1.240) 1.317 5.070 ( 8.758 1.504 -6.225) 10.850 5.189 ( -5.869 1.118 -4.717) 7.613 5.276 ( 4.307 3.018 -0.634) 5.298 5.329 ( -8.316 -2.672 -2.432) 9.067 5.428 ( -3.862 -1.689 -1.765) 4.569 5.456 ( 2.376 4.950 -5.189) 7.555 5.477 ( -2.871 -1.373 -4.049) 5.149 5.584 ( -3.023 0.923 -5.140) 6.034 5.603 ( 0.802 -2.803 3.328) 4.424 5.695 ( -2.192 -2.025 2.431) 3.849 5.776 ( -4.525 3.991 3.008) 6.742 5.813 ( 0.194 -3.905 -2.211) 4.492 5.954 ( -5.464 -4.875 -1.858) 7.554 5.961 ( 10.147 -6.300 -0.673) 11.962 6.089 ( -0.070 -5.468 -9.061) 10.583 6.139 ( -5.605 -4.263 -2.991) 7.651 6.177 ( -2.421 -3.023 -3.144) 4.989 6.321 ( 4.949 -7.214 1.145) 8.824 6.339 ( -0.596 -4.029 5.021) 6.466 6.467 ( 9.739 2.529 0.056) 10.062 6.559 ( 4.706 -2.417 -3.982) 6.622 6.615 ( -2.993 2.890 1.881) 4.566 6.666 ( 2.197 -8.037 -0.979) 8.389 6.716 ( -0.072 1.139 0.680) 1.328 6.791 ( 1.522 -1.325 -4.678) 5.094 6.904 ( 1.627 -1.822 6.431) 6.879 6.937 ( 1.157 -2.020 6.192) 6.615 7.039 ( 2.185 1.061 7.684) 8.058 7.106 ( -1.071 -5.102 10.197) 11.452 7.225 ( 0.628 -0.197 5.396) 5.436 7.229 ( 2.392 0.858 -0.292) 2.558 7.306 ( -2.708 0.715 -2.536) 3.778 7.377 ( -1.147 1.530 -0.299) 1.935 7.403 ( 0.819 4.853 -1.899) 5.275 7.528 ( 0.366 -2.122 -2.046) 2.970 7.576 ( -3.858 -1.224 -4.853) 6.320 7.644 ( -4.386 -1.298 8.671) 9.803 7.664 ( 3.240 -0.479 -2.389) 4.054 7.710 ( -0.907 1.510 1.211) 2.137 7.818 ( 3.375 -1.503 -4.709) 5.985 7.873 ( -3.437 -1.533 -1.843) 4.191 8.037 ( -1.191 3.357 -1.099) 3.728 8.118 ( -0.505 -1.718 -4.639) 4.973 8.216 ( -0.653 -1.911 -1.293) 2.398 8.253 ( 0.483 1.250 1.870) 2.300 8.308 ( 0.517 0.358 4.101) 4.149 8.403 ( 2.183 -1.189 0.877) 2.636 8.488 ( -3.610 -9.918 -2.663) 10.885 8.654 ( 4.097 0.336 -2.860) 5.008 8.700 ( -1.057 3.838 0.620) 4.028 8.740 ( -4.073 -0.271 -0.844) 4.168 8.862 ( 2.439 0.518 -3.164) 4.028 8.946 ( 1.615 -1.906 0.196) 2.506 9.082 ( -0.986 4.860 0.624) 4.998 9.119 ( -0.201 -7.284 2.300) 7.641 9.218 ( -2.113 -2.634 0.105) 3.378 9.233 ( -1.942 1.422 -0.368) 2.435 9.363 ( -0.520 5.864 -4.270) 7.273 9.395 ( 1.785 -1.737 -0.448) 2.530 9.530 ( -1.482 5.481 0.675) 5.718 9.644 ( 1.079 4.658 -3.589) 5.978 9.748 ( -2.806 9.077 10.452) 14.125 9.958 ( -0.512 1.188 5.194) 5.352 10.018 ( 5.771 3.252 -1.980) 6.913 10.055 ( -0.692 -2.080 -1.664) 2.752 10.181 ( -5.433 5.092 6.013) 9.571 10.298 ( 0.959 2.554 -3.257) 4.248 10.321 ( 1.770 -2.071 3.290) 4.272 10.353 ( -2.795 -1.629 0.469) 3.269 10.424 ( 4.506 1.953 3.634) 6.109 10.508 ( 0.535 -3.916 -1.986) 4.423 10.568 ( -0.673 6.329 -2.866) 6.980 10.660 ( 4.393 7.800 -5.778) 10.655 10.809 ( -0.973 2.157 -4.721) 5.281 10.859 ( -4.312 -3.749 -0.179) 5.717 11.039 ( -1.160 -1.226 -0.726) 1.837 11.126 ( 4.151 2.620 -0.543) 4.939 11.144 ( 0.011 2.120 -0.039) 2.121 11.225 ( 0.092 -2.783 1.254) 3.054 11.354 ( 0.108 1.628 2.073) 2.638 11.467 ( -2.027 -6.704 3.440) 7.803 11.524 ( 2.209 -5.753 -1.019) 6.246 11.556 ( 0.735 -1.621 1.146) 2.116 11.660 ( -0.173 -0.440 1.517) 1.589 11.721 ( 1.131 -3.197 -0.207) 3.398 11.742 ( -0.686 -2.187 -1.169) 2.573 11.803 ( -0.861 7.104 0.377) 7.166 12.115 ( -1.224 -0.442 -1.044) 1.668 12.181 ( 1.077 -0.874 -3.052) 3.352 12.261 ( -1.983 -7.686 0.694) 7.968 12.319 ( 1.015 -9.659 -0.921) 9.756 12.383 ( 0.328 -2.196 3.988) 4.565 12.531 ( -0.279 -3.816 -3.266) 5.030 13.105 ( -2.620 5.277 4.658) 7.511 13.273 ( -0.515 1.461 0.129) 1.555 13.330 ( 2.365 -0.199 3.889) 4.556 13.416 ( 0.778 -1.902 -1.104) 2.333 13.576 ( -1.894 3.650 -3.160) 5.186 13.632 ( 1.912 3.387 -5.390) 6.647 13.755 ( -2.122 1.855 -0.038) 2.819 13.780 ( 0.203 0.660 -1.094) 1.293 13.826 ( 1.460 4.086 3.509) 5.581 13.906 ( -0.574 3.176 1.680) 3.639 13.952 ( 0.291 4.187 -2.722) 5.002 13.998 ( 0.081 3.122 -1.660) 3.536 14.383 ( 0.616 1.666 1.968) 2.651 14.486 ( -0.165 2.057 -2.479) 3.225 14.518 ( -0.264 0.033 1.817) 1.836 14.548 ( 0.502 0.558 0.758) 1.067 15.039 ( 1.132 3.187 3.092) 4.582 15.174 ( 0.286 8.237 -2.870) 8.728 15.244 ( 0.388 -3.009 1.361) 3.326 15.309 ( 0.354 1.083 -1.141) 1.612 15.536 ( 1.875 3.516 0.685) 4.043 15.605 ( 0.697 -0.380 -2.737) 2.850 16.027 ( -9.663 -14.065 3.267) 17.374 16.174 ( 4.372 -21.566 -3.111) 22.223 17.865 ( -1.636 5.367 2.259) 6.049 17.957 ( -0.234 2.451 -0.037) 2.462 17.962 ( 1.815 5.341 -0.885) 5.710 17.987 ( 0.133 4.013 -0.717) 4.078 18.291 ( 4.147 6.871 0.108) 8.027 18.317 ( -4.061 6.219 -0.404) 7.439 18.483 ( -2.446 1.146 0.146) 2.705 18.534 ( 1.461 1.672 -1.263) 2.554 18.725 ( -1.779 -3.499 -0.038) 3.925 18.761 ( 3.416 -1.859 -0.978) 4.010 18.992 ( 1.926 2.444 2.227) 3.826 19.086 ( -3.190 0.795 -2.232) 3.974 21.046 ( 2.298 1.371 8.944) 9.336 21.304 ( -2.428 -4.840 1.489) 5.616 21.578 ( -1.795 2.787 -3.352) 4.714 21.780 ( 2.300 -4.754 -8.406) 9.927 22.702 ( 2.008 1.722 0.995) 2.826 22.753 ( -3.364 0.460 -1.534) 3.726 22.827 ( 2.509 -0.377 1.106) 2.767 22.851 ( -1.249 -1.199 -0.090) 1.733 22.938 ( -2.844 -4.108 0.786) 5.058 22.958 ( 0.027 -4.223 1.014) 4.343 22.988 ( 4.542 -4.493 2.825) 6.985 23.106 ( -1.192 -6.627 -1.625) 6.926 ======================= Grid point 82 (40/70) ======================= q-point: ( 0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -8.541 8.299 -2.117) 12.096 2.246 ( -1.473 18.307 7.822) 19.962 2.282 ( 8.308 10.442 3.042) 13.687 2.360 ( -2.705 -2.063 -5.149) 6.171 2.473 ( 2.316 -0.193 4.645) 5.194 2.525 ( -1.513 2.359 3.810) 4.729 2.646 ( 2.718 5.047 -7.322) 9.299 2.759 ( 1.371 5.281 -7.960) 9.650 2.858 ( -4.612 -0.206 -1.381) 4.819 2.991 ( 0.462 -2.102 1.065) 2.401 3.061 ( -1.868 2.319 -5.304) 6.083 3.140 ( -2.325 -4.220 3.921) 6.212 3.223 ( -2.108 -0.388 0.698) 2.254 3.278 ( -0.461 0.608 -0.646) 1.000 3.399 ( -1.083 -4.428 -1.030) 4.673 3.410 ( -7.919 -2.112 -0.150) 8.197 3.528 ( -5.733 2.014 1.210) 6.195 3.539 ( 0.381 -0.880 -0.392) 1.036 3.591 ( -1.893 -0.157 4.508) 4.892 3.645 ( 4.780 -0.388 0.933) 4.885 3.767 ( 1.090 -2.643 5.037) 5.792 3.866 ( 4.621 0.869 1.302) 4.879 3.875 ( 0.668 -6.930 -3.357) 7.729 3.899 ( 2.254 2.129 -1.531) 3.458 3.994 ( -3.342 3.314 -3.645) 5.953 4.085 ( -1.972 2.196 3.167) 4.329 4.130 ( -2.435 -3.742 0.124) 4.466 4.231 ( -6.420 -2.146 2.011) 7.061 4.281 ( -0.579 -2.213 3.987) 4.597 4.338 ( 2.345 -2.277 -5.936) 6.776 4.386 ( -4.499 -7.622 -3.812) 9.637 4.521 ( 0.755 -4.355 -2.147) 4.914 4.530 ( -3.113 2.743 -1.979) 4.597 4.563 ( -2.400 6.714 7.039) 10.019 4.705 ( -0.706 -5.811 7.420) 9.451 4.823 ( 0.116 1.108 -4.821) 4.948 4.826 ( 2.627 -0.880 4.070) 4.924 4.935 ( 5.288 -10.563 -1.255) 11.880 5.047 ( 2.857 1.250 -4.782) 5.709 5.137 ( 6.046 -2.943 1.613) 6.914 5.178 ( -3.460 -10.251 -11.682) 15.922 5.275 ( 5.176 1.517 -6.138) 8.171 5.319 ( 1.548 -2.065 4.240) 4.963 5.411 ( 4.787 3.570 6.381) 8.740 5.454 ( 3.873 7.376 0.878) 8.378 5.481 ( 4.701 -0.170 2.997) 5.577 5.580 ( 4.532 -3.400 4.832) 7.447 5.651 ( -1.958 1.168 4.964) 5.462 5.737 ( 1.182 -1.904 -0.030) 2.241 5.748 ( 4.522 -5.903 8.667) 11.420 5.860 ( 3.467 2.101 -0.308) 4.066 5.870 ( -1.982 -0.284 -2.400) 3.125 5.997 ( 5.145 -1.467 -8.810) 10.307 6.045 ( 1.013 -2.929 -0.607) 3.158 6.108 ( 3.157 -5.403 -1.033) 6.343 6.185 ( -0.018 -2.079 0.534) 2.146 6.337 ( -2.059 -4.362 -0.144) 4.826 6.384 ( 4.470 -3.567 -2.910) 6.417 6.463 ( -9.865 -3.318 0.891) 10.446 6.518 ( -4.149 4.113 -3.744) 6.939 6.620 ( 1.465 1.392 -7.362) 7.634 6.668 ( -3.182 -5.993 -0.741) 6.826 6.735 ( 0.534 -1.140 -4.536) 4.708 6.770 ( 1.725 0.059 8.767) 8.935 6.892 ( -7.978 -3.099 -0.048) 8.559 6.955 ( -2.403 5.158 -3.893) 6.895 7.037 ( 0.910 1.881 0.187) 2.098 7.158 ( -4.904 6.074 1.796) 8.010 7.212 ( -4.501 -5.221 -5.240) 8.659 7.237 ( -3.567 -0.575 1.316) 3.845 7.319 ( 3.482 0.806 -0.653) 3.633 7.348 ( 3.134 2.497 0.158) 4.010 7.443 ( -3.723 -3.357 6.966) 8.582 7.473 ( -2.704 -2.145 2.374) 4.189 7.525 ( -4.036 -2.958 2.940) 5.804 7.651 ( 1.374 -7.258 -4.784) 8.801 7.663 ( 4.234 1.111 -2.031) 4.826 7.747 ( 0.296 0.266 -0.169) 0.432 7.769 ( -2.439 -0.256 0.399) 2.485 7.896 ( 0.582 6.231 4.668) 7.808 8.036 ( 9.874 -6.692 -0.307) 11.932 8.147 ( 2.520 -7.144 -0.376) 7.585 8.194 ( -1.072 1.255 3.280) 3.672 8.290 ( -4.410 -0.001 3.557) 5.665 8.364 ( -2.712 -0.015 -1.990) 3.364 8.390 ( 3.449 -1.339 0.036) 3.700 8.481 ( 5.120 -4.376 -1.047) 6.816 8.575 ( 0.713 4.730 -8.979) 10.173 8.625 ( -2.482 1.199 3.163) 4.196 8.783 ( 1.501 -1.036 -1.515) 2.371 8.844 ( -1.326 -0.795 0.439) 1.607 9.029 ( 2.496 -2.476 -1.827) 3.963 9.073 ( -2.439 5.261 8.421) 10.224 9.147 ( -2.418 -0.593 -0.275) 2.505 9.185 ( 1.220 2.666 -2.386) 3.781 9.189 ( -1.098 -0.664 2.385) 2.708 9.276 ( -4.665 -1.771 -2.841) 5.742 9.409 ( 3.694 -2.241 -0.022) 4.321 9.510 ( -1.320 5.725 0.438) 5.892 9.686 ( 5.288 1.132 -0.955) 5.491 9.786 ( -5.500 5.248 5.838) 9.585 9.944 ( -3.734 -0.127 0.472) 3.766 10.013 ( -5.044 -2.334 1.837) 5.854 10.057 ( -3.855 -3.839 0.490) 5.463 10.158 ( 0.259 6.645 -3.332) 7.439 10.242 ( -0.790 0.186 4.090) 4.169 10.306 ( -4.148 5.012 0.816) 6.557 10.364 ( -2.018 -0.482 -0.843) 2.240 10.501 ( 4.177 5.115 -0.616) 6.633 10.506 ( 4.689 -0.365 -1.854) 5.056 10.606 ( 1.183 2.650 -8.492) 8.974 10.667 ( 9.652 10.923 1.828) 14.690 10.799 ( 0.761 2.820 2.742) 4.007 10.886 ( 5.245 -2.745 -2.331) 6.362 10.959 ( -5.057 -0.871 -0.334) 5.142 11.122 ( -3.061 0.825 -0.363) 3.191 11.165 ( 0.932 1.174 -1.685) 2.256 11.252 ( 3.524 0.764 0.187) 3.610 11.373 ( -3.522 -5.054 4.245) 7.481 11.487 ( 1.140 -5.334 0.733) 5.503 11.541 ( 0.662 -5.181 -0.100) 5.224 11.594 ( 1.586 -2.921 -2.576) 4.205 11.662 ( 2.992 -2.986 -1.958) 4.659 11.726 ( -0.815 1.082 -0.027) 1.355 11.759 ( 2.111 -2.038 1.027) 3.109 11.840 ( 4.213 5.246 1.574) 6.910 12.085 ( -1.441 1.228 1.191) 2.237 12.175 ( 2.030 0.172 -2.597) 3.301 12.215 ( -4.029 -8.802 1.439) 9.787 12.326 ( 0.244 -6.673 -0.348) 6.687 12.387 ( -4.016 -5.229 0.968) 6.664 12.486 ( -0.861 -1.734 -0.953) 2.158 13.143 ( -0.132 4.740 5.639) 7.368 13.257 ( -0.657 2.216 -0.559) 2.378 13.399 ( 0.476 -0.917 -0.870) 1.351 13.427 ( 2.722 -0.739 0.264) 2.832 13.528 ( 0.409 3.400 -1.945) 3.938 13.617 ( 1.893 3.708 -2.168) 4.693 13.731 ( -1.031 0.316 0.115) 1.084 13.776 ( -0.019 0.933 0.614) 1.117 13.881 ( 1.004 3.742 2.564) 4.646 13.909 ( 0.059 4.762 -1.677) 5.049 13.934 ( 0.021 3.837 0.356) 3.854 13.990 ( 1.605 3.724 -2.202) 4.615 14.431 ( 1.318 0.441 0.854) 1.632 14.461 ( 1.653 2.346 -1.639) 3.305 14.541 ( 0.311 -1.012 1.384) 1.742 14.569 ( 1.497 -0.471 -0.710) 1.722 15.080 ( -4.665 3.317 -2.832) 6.386 15.088 ( -1.089 5.253 2.336) 5.851 15.231 ( -2.022 0.462 -2.373) 3.151 15.323 ( 2.777 0.210 -0.248) 2.796 15.582 ( 1.061 1.795 -4.854) 5.283 15.672 ( 10.930 3.111 0.689) 11.385 15.882 ( -9.847 -14.226 6.801) 18.591 16.254 ( 4.536 -18.265 0.268) 18.822 17.848 ( -1.418 6.339 1.657) 6.703 17.940 ( -0.494 2.770 -0.484) 2.855 17.991 ( 1.883 3.334 -0.531) 3.866 18.032 ( 4.548 2.963 -0.127) 5.429 18.196 ( -5.550 4.914 -0.598) 7.437 18.371 ( -0.329 2.227 -0.178) 2.259 18.452 ( -0.162 5.329 0.896) 5.406 18.527 ( -1.615 1.391 0.144) 2.136 18.662 ( -4.686 -3.091 0.377) 5.626 18.766 ( -0.481 -0.400 -2.330) 2.412 19.006 ( -2.103 1.643 -2.575) 3.708 19.078 ( 3.445 1.748 3.589) 5.272 21.201 ( 0.643 -1.577 4.374) 4.694 21.255 ( 0.027 -2.991 0.778) 3.091 21.494 ( -4.811 2.695 1.198) 5.643 21.712 ( 0.338 -3.974 -7.373) 8.382 22.649 ( -5.198 -0.211 -1.282) 5.358 22.736 ( 0.078 1.438 1.538) 2.107 22.833 ( -2.802 -3.049 0.869) 4.231 22.885 ( 0.549 -1.965 0.082) 2.042 22.935 ( 0.355 -2.020 -0.527) 2.117 22.941 ( 2.727 -2.797 0.696) 3.968 23.079 ( 1.728 -5.112 -2.274) 5.856 23.101 ( 2.712 -5.358 1.964) 6.319 ======================= Grid point 83 (41/70) ======================= q-point: ( 0.33 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -2.746 7.333 -0.704) 7.862 2.174 ( -1.710 -2.138 -10.156) 10.518 2.348 ( -0.026 5.334 7.438) 9.153 2.465 ( 10.965 10.965 -2.178) 15.659 2.504 ( -1.521 -3.739 3.717) 5.487 2.585 ( 4.344 6.301 -2.107) 7.938 2.631 ( 0.106 6.329 -3.216) 7.100 2.755 ( 0.365 2.727 -2.047) 3.429 2.777 ( 1.301 8.507 4.939) 9.923 2.941 ( -4.135 3.009 -0.757) 5.170 2.970 ( -2.239 4.772 -2.227) 5.722 3.090 ( -5.707 -4.669 -0.817) 7.419 3.152 ( -7.629 2.320 -0.495) 7.989 3.265 ( -3.065 -5.810 -2.931) 7.194 3.291 ( -2.196 -5.567 3.996) 7.195 3.342 ( -6.556 -2.725 2.737) 7.609 3.467 ( -6.445 -0.772 4.362) 7.821 3.513 ( -2.950 -1.789 1.922) 3.949 3.670 ( 4.361 0.027 -1.320) 4.556 3.686 ( -2.762 2.823 1.580) 4.254 3.799 ( -7.828 -13.827 2.288) 16.053 3.837 ( 4.633 -6.951 2.756) 8.796 3.871 ( -2.832 -4.775 -5.224) 7.624 3.936 ( 0.578 4.960 -0.512) 5.020 4.009 ( 4.624 -1.653 3.400) 5.973 4.090 ( -0.075 -1.882 -5.608) 5.915 4.114 ( 4.921 -3.447 -0.672) 6.045 4.176 ( -2.580 -6.383 -9.474) 11.712 4.226 ( 0.566 5.369 2.800) 6.081 4.249 ( -0.060 1.071 1.774) 2.074 4.372 ( 3.411 0.208 -3.003) 4.549 4.470 ( -0.039 -8.777 2.284) 9.069 4.561 ( 4.413 -3.723 -3.753) 6.886 4.666 ( -0.735 -4.367 6.423) 7.801 4.716 ( -2.328 0.716 9.431) 9.741 4.859 ( 7.177 -7.215 0.687) 10.200 4.929 ( -0.996 -14.432 -5.114) 15.343 4.969 ( 8.783 4.899 -2.768) 10.431 5.070 ( 4.428 9.304 -6.779) 12.334 5.119 ( -6.948 -2.757 0.435) 7.487 5.206 ( 4.680 6.950 2.753) 8.820 5.266 ( 2.939 1.185 6.332) 7.081 5.410 ( 5.078 -7.725 -4.744) 10.391 5.443 ( -2.234 4.953 2.127) 5.835 5.526 ( -0.857 -1.849 5.800) 6.148 5.561 ( -3.335 1.643 2.428) 4.441 5.663 ( 0.213 -5.049 7.686) 9.198 5.723 ( -1.160 5.206 0.141) 5.336 5.784 ( 0.590 0.112 -2.562) 2.632 5.801 ( -0.363 -1.320 -3.469) 3.729 5.935 ( 2.352 2.724 5.216) 6.337 5.990 ( 8.691 7.787 0.251) 11.672 6.016 ( -1.646 0.456 -8.038) 8.217 6.041 ( -2.782 -4.037 0.691) 4.951 6.078 ( -7.045 -0.779 0.136) 7.089 6.232 ( 11.281 -5.627 5.000) 13.562 6.303 ( -1.040 -0.894 -0.726) 1.552 6.380 ( 5.233 -0.829 4.669) 7.062 6.388 ( 0.346 3.255 -4.842) 5.845 6.450 ( 6.057 -1.465 -7.899) 10.061 6.513 ( -1.558 -2.898 6.208) 7.026 6.610 ( -4.834 1.622 -4.384) 6.724 6.693 ( -4.562 -3.380 -0.116) 5.679 6.764 ( -2.294 -7.637 -0.287) 7.979 6.795 ( -4.039 -0.917 1.570) 4.430 6.906 ( -10.020 -1.652 -6.415) 12.011 6.976 ( 2.333 2.012 0.443) 3.112 7.054 ( 4.460 3.044 -5.688) 7.843 7.180 ( 4.521 -1.481 -0.613) 4.797 7.219 ( 1.072 2.746 -1.804) 3.456 7.302 ( -5.757 1.965 1.037) 6.171 7.338 ( -1.583 -1.440 -8.269) 8.541 7.349 ( -8.794 -4.517 -3.751) 10.574 7.477 ( -3.421 -2.451 2.728) 5.015 7.579 ( 1.146 0.984 3.905) 4.187 7.609 ( 4.054 -5.378 2.590) 7.216 7.613 ( -3.432 0.505 3.765) 5.119 7.765 ( 0.587 -3.756 -0.473) 3.831 7.898 ( 3.303 3.727 3.876) 6.310 7.966 ( -0.632 2.050 4.719) 5.184 8.091 ( -2.936 -4.595 1.551) 5.669 8.180 ( -2.275 -8.895 -3.698) 9.898 8.235 ( 5.434 -0.404 1.507) 5.654 8.295 ( 1.505 1.357 -3.750) 4.262 8.325 ( -2.045 0.204 -2.169) 2.988 8.381 ( 3.922 1.118 6.990) 8.093 8.483 ( -1.380 0.824 -0.841) 1.814 8.615 ( 8.284 -0.172 -1.131) 8.362 8.697 ( -2.865 -3.390 -0.467) 4.463 8.780 ( -4.672 -8.523 -2.701) 10.088 8.795 ( 4.671 4.781 5.206) 8.472 8.947 ( 1.909 0.183 -5.056) 5.408 9.091 ( -3.048 -2.783 -6.352) 7.575 9.108 ( -5.500 -5.993 -0.733) 8.168 9.194 ( -1.215 3.145 2.217) 4.035 9.232 ( 1.180 6.259 7.180) 9.598 9.325 ( 7.732 -2.336 6.966) 10.666 9.479 ( 3.028 2.412 1.375) 4.109 9.531 ( -0.814 1.982 -4.609) 5.083 9.629 ( -4.264 -3.180 -2.294) 5.793 9.744 ( -1.232 -0.736 0.041) 1.435 9.811 ( -10.003 -7.500 -2.629) 12.775 9.941 ( -3.063 -1.018 2.214) 3.914 9.972 ( -6.857 -2.563 6.275) 9.642 10.189 ( 3.354 8.044 -3.767) 9.494 10.282 ( -1.978 3.799 1.374) 4.499 10.305 ( 4.017 6.580 -2.058) 7.979 10.321 ( 1.966 4.544 -0.623) 4.990 10.507 ( 1.399 9.436 0.436) 9.549 10.578 ( 3.220 4.520 0.008) 5.549 10.643 ( 1.788 -0.897 0.749) 2.136 10.743 ( -0.073 6.592 -3.838) 7.628 10.832 ( 4.419 9.305 1.170) 10.368 10.939 ( 3.371 -7.778 0.406) 8.487 10.983 ( 1.813 -0.776 3.808) 4.288 11.050 ( -3.001 -2.180 -0.432) 3.734 11.134 ( -0.963 2.671 -2.572) 3.831 11.286 ( -0.389 2.312 -2.474) 3.408 11.351 ( -3.027 -7.401 3.497) 8.728 11.466 ( 2.153 -3.434 -8.380) 9.308 11.528 ( -4.725 -5.969 3.620) 8.430 11.605 ( 4.040 2.865 -0.706) 5.003 11.699 ( 1.915 -2.694 -0.742) 3.388 11.736 ( 3.351 -1.811 -1.304) 4.026 11.818 ( 1.928 -2.314 2.404) 3.853 11.937 ( 4.343 5.818 0.433) 7.273 12.102 ( 0.217 -1.412 2.386) 2.782 12.155 ( -2.749 -1.616 -0.304) 3.204 12.189 ( -0.050 -8.046 -0.461) 8.060 12.290 ( -4.001 -2.324 -1.725) 4.938 12.332 ( -0.278 -5.973 0.714) 6.022 12.471 ( -2.104 0.340 1.456) 2.581 13.188 ( -0.420 2.276 1.044) 2.539 13.269 ( 2.499 3.277 1.026) 4.247 13.354 ( -2.111 -0.166 -3.849) 4.393 13.461 ( 1.348 0.010 -1.052) 1.710 13.535 ( 1.022 3.789 0.687) 3.984 13.646 ( 1.674 3.191 0.379) 3.623 13.718 ( -0.813 -2.449 0.795) 2.700 13.788 ( -0.047 0.314 0.768) 0.831 13.882 ( 0.816 6.544 -3.034) 7.259 13.922 ( 0.628 4.673 1.760) 5.033 13.945 ( -0.464 3.874 0.738) 3.971 14.010 ( 2.069 4.767 0.907) 5.275 14.443 ( 1.743 -0.260 -0.495) 1.831 14.508 ( 1.662 -0.459 1.587) 2.343 14.559 ( 0.516 -2.025 0.201) 2.099 14.575 ( 0.958 -1.568 -1.151) 2.168 14.973 ( -2.825 0.522 -1.973) 3.485 15.111 ( 0.913 5.438 3.293) 6.423 15.131 ( -4.351 -4.086 -3.069) 6.712 15.378 ( 2.824 0.439 -0.253) 2.869 15.575 ( 2.053 2.940 0.957) 3.712 15.829 ( -5.675 -6.460 3.490) 9.280 15.872 ( 11.742 2.317 -1.330) 12.042 16.271 ( -4.218 -10.205 0.136) 11.043 17.848 ( -0.007 5.529 -0.077) 5.530 17.971 ( 3.445 -0.256 -0.940) 3.580 18.012 ( 2.687 3.637 0.129) 4.524 18.102 ( 2.632 2.014 0.251) 3.324 18.132 ( -0.459 2.950 -0.652) 3.055 18.314 ( -6.069 -1.405 1.067) 6.320 18.404 ( -4.843 -0.312 -1.348) 5.037 18.483 ( -5.130 0.079 1.763) 5.425 18.653 ( 2.227 3.746 1.485) 4.604 18.714 ( -1.521 3.277 -2.720) 4.522 18.966 ( -0.201 1.879 -0.653) 1.999 19.160 ( 1.753 1.981 1.730) 3.161 21.126 ( 0.255 -1.754 -7.755) 7.955 21.300 ( -4.179 -4.351 2.864) 6.678 21.516 ( 2.046 0.568 5.738) 6.118 21.644 ( -1.723 -3.889 -0.492) 4.282 22.562 ( -3.335 0.427 -0.111) 3.364 22.734 ( -0.868 -1.667 -1.898) 2.671 22.792 ( -1.825 -2.368 0.900) 3.122 22.844 ( -2.831 -3.152 0.363) 4.252 22.988 ( 4.324 -0.345 0.147) 4.340 23.015 ( 4.103 -0.852 -0.399) 4.209 23.095 ( 1.493 -3.706 -0.869) 4.089 23.123 ( -1.185 -4.652 0.296) 4.809 ======================= Grid point 84 (42/70) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.192 4.280 1.069) 4.416 2.094 ( 7.510 -1.288 -10.861) 13.267 2.389 ( -3.752 2.993 4.567) 6.625 2.482 ( -8.588 7.421 3.240) 11.804 2.580 ( 3.545 6.783 -6.554) 10.076 2.603 ( 6.100 9.883 -1.389) 11.696 2.679 ( -3.153 -0.919 1.266) 3.520 2.742 ( 8.453 -1.665 6.374) 10.717 2.815 ( -8.276 4.679 1.819) 9.679 2.928 ( -1.225 6.292 -0.569) 6.435 2.974 ( -1.863 -1.223 -1.069) 2.472 3.014 ( 11.384 3.734 -2.673) 12.276 3.097 ( -3.591 4.334 -0.899) 5.700 3.142 ( 3.168 -2.829 -1.074) 4.381 3.298 ( -3.512 -4.233 8.031) 9.734 3.337 ( -0.365 -2.224 5.456) 5.903 3.454 ( -3.440 5.131 6.238) 8.779 3.511 ( 1.619 -7.255 -2.404) 7.812 3.577 ( -6.051 -8.608 -2.912) 10.918 3.657 ( -1.375 -6.407 0.132) 6.554 3.742 ( 0.079 2.870 1.190) 3.108 3.833 ( -5.113 -4.997 -3.159) 7.816 3.876 ( 0.821 -1.467 -5.572) 5.821 3.908 ( 5.372 -10.555 -1.730) 11.969 3.993 ( 2.027 -0.543 -4.159) 4.658 4.096 ( 0.407 0.483 -4.095) 4.143 4.150 ( 1.549 -7.377 2.393) 7.909 4.190 ( 3.545 -6.615 2.653) 7.960 4.241 ( -2.369 0.139 -0.983) 2.568 4.305 ( 2.484 7.377 3.806) 8.665 4.458 ( -3.491 -6.026 5.179) 8.679 4.524 ( 5.576 -4.889 0.649) 7.444 4.553 ( 0.659 -11.036 -1.801) 11.201 4.641 ( -6.142 -8.138 4.857) 11.293 4.787 ( -1.590 -6.664 -1.825) 7.090 4.894 ( -0.711 -2.344 -5.924) 6.411 4.907 ( -1.638 -0.913 4.510) 4.884 5.012 ( 1.928 0.698 2.616) 3.324 5.080 ( 3.305 -1.685 -2.797) 4.646 5.136 ( 4.510 6.664 0.406) 8.056 5.256 ( 0.965 8.875 0.765) 8.960 5.342 ( 0.341 -8.163 -11.388) 14.016 5.377 ( -1.599 2.016 6.565) 7.051 5.457 ( -0.423 0.932 1.256) 1.620 5.505 ( -0.440 0.687 3.226) 3.327 5.535 ( -0.660 3.478 -0.524) 3.578 5.569 ( -10.655 6.827 -0.524) 12.665 5.678 ( -5.491 3.417 -5.739) 8.646 5.731 ( -4.605 -1.406 0.325) 4.826 5.826 ( 0.201 2.779 0.467) 2.825 5.927 ( -0.280 -2.399 -8.057) 8.411 5.944 ( 4.362 3.333 10.633) 11.967 5.971 ( 5.840 0.042 -1.889) 6.138 6.071 ( -2.011 2.115 0.981) 3.079 6.112 ( 1.618 -3.942 0.394) 4.280 6.260 ( -1.293 0.564 -0.751) 1.598 6.363 ( -1.096 0.450 -4.136) 4.302 6.419 ( -3.536 2.156 3.316) 5.305 6.479 ( -2.037 -2.883 1.946) 4.031 6.522 ( 7.383 1.357 -1.138) 7.592 6.544 ( 1.456 3.834 3.635) 5.480 6.577 ( 2.909 -0.838 1.530) 3.392 6.703 ( -6.000 1.278 1.221) 6.255 6.735 ( 3.071 1.896 1.620) 3.956 6.788 ( 5.525 -0.762 3.633) 6.656 6.853 ( 1.328 -5.724 2.415) 6.353 7.017 ( 2.153 4.020 -3.099) 5.514 7.024 ( 0.054 -7.599 -1.683) 7.783 7.154 ( 2.243 -1.537 -3.901) 4.755 7.203 ( 4.618 -4.391 -10.164) 11.996 7.224 ( 0.184 -2.623 -3.088) 4.056 7.261 ( -0.072 -1.462 -5.157) 5.360 7.302 ( 2.275 -0.586 1.495) 2.785 7.467 ( -2.558 -0.548 1.789) 3.170 7.566 ( -2.750 -4.138 6.133) 7.893 7.584 ( -0.002 3.581 3.346) 4.901 7.731 ( 1.020 -0.945 1.912) 2.364 7.802 ( -2.167 4.994 -1.079) 5.550 7.898 ( -1.516 1.093 -4.396) 4.777 7.942 ( -2.160 -2.893 4.888) 6.077 8.011 ( -7.424 -4.016 0.422) 8.452 8.160 ( 3.947 -9.918 3.128) 11.124 8.228 ( 0.348 -3.604 -0.783) 3.704 8.337 ( -1.960 -3.966 -1.249) 4.597 8.375 ( 1.637 0.646 1.997) 2.662 8.423 ( 2.823 0.025 0.584) 2.883 8.541 ( -4.473 -4.697 1.148) 6.587 8.567 ( -0.976 5.833 -0.565) 5.941 8.718 ( 4.739 -8.325 0.632) 9.600 8.825 ( 1.840 -2.231 5.777) 6.460 8.884 ( 0.601 -1.029 -14.693) 14.741 8.919 ( -0.239 -4.707 1.264) 4.879 8.955 ( 2.636 -0.788 -1.109) 2.967 9.051 ( -4.270 1.443 -0.048) 4.508 9.139 ( -2.437 -4.354 -1.296) 5.156 9.256 ( -2.738 4.369 3.663) 6.325 9.402 ( 2.289 -2.896 -7.545) 8.400 9.422 ( -3.294 -0.780 -1.171) 3.582 9.564 ( 3.366 5.592 3.997) 7.653 9.609 ( -0.580 1.833 4.057) 4.489 9.753 ( 4.522 -3.466 -1.029) 5.789 9.764 ( -2.243 3.554 -0.690) 4.259 9.913 ( -5.207 -3.879 4.769) 8.056 9.948 ( -1.722 -3.610 6.730) 7.829 10.174 ( 0.599 6.025 -4.536) 7.565 10.220 ( 1.458 9.317 -5.665) 11.001 10.358 ( -0.115 4.152 1.957) 4.592 10.374 ( 2.882 3.606 -0.091) 4.617 10.524 ( -5.034 8.496 2.187) 10.115 10.618 ( 2.183 5.538 3.376) 6.843 10.636 ( 3.674 -0.259 -0.903) 3.792 10.781 ( -0.129 13.362 -4.738) 14.177 10.856 ( 4.029 2.101 0.963) 4.645 10.943 ( -6.436 -5.259 -2.171) 8.590 11.031 ( -0.851 -3.316 4.073) 5.321 11.053 ( 1.842 -6.381 3.497) 7.506 11.143 ( 4.300 5.008 -0.370) 6.611 11.216 ( -3.869 1.275 -0.237) 4.080 11.327 ( 0.624 -8.464 -4.835) 9.768 11.419 ( 3.567 -2.397 -7.645) 8.770 11.497 ( -3.649 -0.257 4.173) 5.549 11.672 ( 3.190 2.148 -3.987) 5.539 11.732 ( 1.734 -1.340 4.709) 5.194 11.785 ( 0.383 -3.288 3.284) 4.663 11.842 ( -1.786 -2.637 0.754) 3.273 11.951 ( -2.091 4.824 -3.764) 6.466 12.072 ( -2.253 -2.576 -0.306) 3.436 12.146 ( -0.114 -9.466 0.643) 9.489 12.187 ( 1.898 -0.012 0.130) 1.903 12.247 ( 0.405 -2.662 -1.890) 3.290 12.357 ( 0.420 -2.643 3.173) 4.151 12.444 ( -1.226 -0.253 -0.328) 1.294 13.173 ( -0.891 2.278 -0.398) 2.478 13.250 ( -2.488 1.590 -4.197) 5.131 13.352 ( 3.261 1.378 1.963) 4.048 13.447 ( -0.806 1.228 -2.335) 2.759 13.568 ( 1.297 3.398 1.558) 3.957 13.657 ( -0.657 2.161 -0.939) 2.446 13.719 ( 0.298 -1.794 0.994) 2.073 13.783 ( -0.579 -0.291 -0.849) 1.068 13.874 ( 0.541 5.741 -0.527) 5.790 13.915 ( -0.947 3.119 -1.062) 3.428 13.977 ( 0.347 5.766 3.745) 6.884 14.049 ( 0.330 4.846 1.005) 4.960 14.477 ( 0.850 -2.189 1.327) 2.697 14.528 ( -0.706 -1.859 0.748) 2.125 14.547 ( -1.182 -2.150 -0.409) 2.488 14.599 ( 1.310 -1.657 0.318) 2.136 14.964 ( 2.408 -0.559 0.871) 2.621 15.043 ( -1.927 -1.799 -2.973) 3.973 15.210 ( 2.734 2.199 7.495) 8.275 15.442 ( 3.610 -3.199 1.178) 4.965 15.623 ( -0.415 4.406 2.728) 5.198 15.725 ( -6.662 1.503 -0.442) 6.844 16.039 ( 10.125 -3.025 -3.335) 11.081 16.113 ( -10.090 -2.755 -3.577) 11.054 17.857 ( 0.246 3.857 1.119) 4.023 17.963 ( 0.524 0.159 -4.258) 4.293 18.061 ( -1.059 2.243 1.237) 2.772 18.127 ( -0.990 1.074 -1.637) 2.194 18.186 ( -6.275 -0.324 0.585) 6.311 18.192 ( 7.772 2.900 1.138) 8.373 18.380 ( 2.923 -4.198 0.671) 5.160 18.411 ( -3.295 -1.966 -0.312) 3.850 18.661 ( -2.667 6.180 -0.193) 6.734 18.711 ( 3.133 4.086 -0.819) 5.214 18.995 ( 1.743 3.335 3.498) 5.138 19.155 ( -2.261 4.200 -2.243) 5.271 21.092 ( 3.652 -3.721 -3.254) 6.146 21.209 ( -3.840 -4.704 -5.735) 8.352 21.578 ( -3.254 -0.504 7.269) 7.980 21.691 ( 3.795 -4.061 3.326) 6.477 22.554 ( 0.906 -0.123 2.382) 2.551 22.691 ( 0.288 -2.679 -3.970) 4.798 22.787 ( -1.605 -1.013 0.637) 2.002 22.808 ( 0.405 -3.147 -0.533) 3.218 23.035 ( -0.662 0.055 0.283) 0.722 23.062 ( 1.615 -1.170 -0.938) 2.204 23.089 ( -1.215 -3.090 0.519) 3.361 23.108 ( 0.625 -3.794 -0.404) 3.867 ======================= Grid point 85 (43/70) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 4.640 2.788 -0.182) 5.416 2.153 ( 10.027 0.837 -10.973) 14.888 2.258 ( -8.607 12.467 3.756) 15.608 2.393 ( -11.222 11.256 -0.919) 15.921 2.573 ( -7.109 8.437 2.748) 11.370 2.590 ( 0.796 -1.207 4.891) 5.100 2.687 ( -0.040 0.115 -0.843) 0.852 2.735 ( 0.828 9.432 0.157) 9.469 2.844 ( 4.414 -0.431 -8.067) 9.206 2.936 ( 2.103 -1.056 4.680) 5.238 2.966 ( 5.119 -2.684 -1.632) 6.006 3.141 ( 7.262 -0.937 -5.481) 9.146 3.159 ( 3.454 -1.381 -1.296) 3.939 3.264 ( 8.585 1.450 0.907) 8.754 3.319 ( -2.377 1.930 4.133) 5.143 3.374 ( -2.054 2.270 7.855) 8.430 3.449 ( 0.576 -7.022 -0.889) 7.101 3.540 ( 3.908 1.432 4.871) 6.408 3.599 ( -0.588 -4.015 -0.413) 4.079 3.672 ( 9.006 -7.435 -0.827) 11.708 3.735 ( -3.087 -4.802 2.809) 6.362 3.799 ( 1.745 1.513 -0.745) 2.427 3.836 ( 2.230 0.324 -0.055) 2.254 3.953 ( -2.565 3.419 -1.911) 4.682 3.981 ( -2.845 -4.560 -4.500) 7.010 4.015 ( 2.118 -13.237 -0.574) 13.418 4.149 ( 2.123 -0.456 -0.899) 2.350 4.185 ( -1.777 -2.791 -0.855) 3.418 4.264 ( 0.179 3.553 -0.246) 3.566 4.316 ( -5.530 -2.154 -3.497) 6.888 4.427 ( -0.559 -7.405 4.807) 8.846 4.457 ( -1.240 2.500 -5.090) 5.804 4.557 ( -8.501 -7.105 -2.113) 11.278 4.671 ( -2.308 1.640 5.443) 6.135 4.780 ( 7.056 -15.519 3.989) 17.509 4.838 ( -11.753 -2.133 4.922) 12.919 4.886 ( 2.382 -4.023 -2.714) 5.406 5.008 ( -2.665 3.102 -5.587) 6.924 5.098 ( 2.346 -9.064 2.097) 9.595 5.156 ( 1.389 1.029 -3.058) 3.513 5.226 ( -0.339 -6.072 1.841) 6.354 5.308 ( -6.924 11.273 3.716) 13.742 5.397 ( 1.567 -3.295 4.786) 6.018 5.420 ( -4.071 -0.741 -2.149) 4.662 5.482 ( -3.385 -0.196 -5.114) 6.136 5.507 ( -1.187 6.743 2.340) 7.236 5.594 ( 0.582 5.940 1.280) 6.105 5.637 ( 4.678 1.122 0.170) 4.814 5.680 ( 5.489 3.889 1.947) 7.003 5.806 ( -6.375 1.515 4.756) 8.097 5.911 ( 3.244 4.412 4.519) 7.100 5.987 ( 1.856 -0.163 -3.784) 4.218 6.058 ( -7.676 -0.421 5.450) 9.423 6.086 ( -4.130 -3.863 -2.570) 6.211 6.140 ( 1.378 0.627 -2.616) 3.023 6.229 ( 3.795 -1.599 -6.146) 7.398 6.273 ( 1.953 -6.032 8.839) 10.878 6.425 ( -1.928 1.312 -4.697) 5.245 6.472 ( -0.535 -1.146 4.356) 4.535 6.475 ( 1.877 -2.405 -1.283) 3.310 6.550 ( -6.262 -4.149 -4.186) 8.600 6.645 ( 2.756 6.069 -1.925) 6.938 6.731 ( -2.207 2.569 0.654) 3.449 6.739 ( 3.159 -1.545 3.027) 4.640 6.829 ( -3.376 -2.181 -3.251) 5.169 6.936 ( 4.157 0.659 -0.703) 4.267 6.999 ( 8.469 -0.753 -6.511) 10.709 7.061 ( -1.799 -1.254 -3.274) 3.941 7.094 ( 0.769 -0.608 -6.120) 6.198 7.161 ( 1.800 -0.190 -2.884) 3.405 7.259 ( 7.386 -3.540 -4.842) 9.515 7.316 ( 5.198 -2.035 2.138) 5.977 7.375 ( 1.008 -2.870 1.669) 3.469 7.417 ( 3.667 0.336 0.825) 3.773 7.555 ( -5.288 2.124 5.514) 7.929 7.665 ( -0.380 6.519 -2.667) 7.054 7.724 ( -2.426 -0.476 5.867) 6.367 7.812 ( -2.480 -4.545 -4.383) 6.784 7.875 ( 3.922 -0.215 1.672) 4.269 7.927 ( -2.006 -3.035 5.427) 6.534 7.984 ( 1.569 -3.304 5.998) 7.026 8.152 ( -6.212 -9.492 -3.059) 11.749 8.186 ( -4.220 -1.034 -0.917) 4.441 8.360 ( 3.511 -6.278 -0.113) 7.194 8.407 ( -4.556 -0.177 6.728) 8.127 8.469 ( 1.518 -1.091 4.822) 5.172 8.504 ( 1.209 -3.468 -2.140) 4.251 8.532 ( -2.259 -4.415 -1.341) 5.138 8.661 ( -2.650 3.488 -7.769) 8.919 8.785 ( 3.461 -4.433 -4.631) 7.286 8.829 ( 0.712 -2.704 0.499) 2.840 8.872 ( -3.863 3.609 0.729) 5.336 9.041 ( 4.667 -2.765 -1.691) 5.682 9.091 ( 1.352 -1.131 0.535) 1.842 9.176 ( 1.300 -8.385 5.038) 9.868 9.285 ( 0.240 1.936 3.517) 4.022 9.314 ( 3.204 -5.299 -2.316) 6.612 9.486 ( 2.224 5.469 1.167) 6.018 9.561 ( -3.065 8.133 -2.187) 8.962 9.648 ( 0.881 4.714 4.647) 6.678 9.715 ( -3.791 2.900 0.131) 4.775 9.815 ( -2.821 -0.041 -1.877) 3.388 9.855 ( 7.761 0.380 -0.384) 7.780 10.066 ( 2.912 -0.593 5.605) 6.344 10.120 ( -3.278 5.600 0.354) 6.499 10.196 ( 2.371 3.752 -6.716) 8.050 10.368 ( -0.384 3.688 0.666) 3.767 10.375 ( -1.501 2.283 0.482) 2.774 10.482 ( -1.357 5.177 0.240) 5.357 10.621 ( -5.051 9.791 -1.994) 11.196 10.694 ( -3.932 2.479 -0.846) 4.725 10.755 ( 7.167 -0.927 -0.036) 7.227 10.790 ( -3.024 0.739 -2.298) 3.870 10.955 ( -0.955 2.639 5.726) 6.377 11.031 ( 1.191 -2.690 -1.333) 3.230 11.094 ( -3.680 -2.166 6.548) 7.818 11.167 ( 0.722 4.992 -2.714) 5.728 11.193 ( 0.294 -4.432 -4.948) 6.649 11.308 ( 4.127 -2.025 -1.955) 4.996 11.416 ( 3.780 -6.914 -3.406) 8.584 11.494 ( -2.750 0.413 3.901) 4.791 11.651 ( 0.981 1.020 -3.987) 4.231 11.753 ( -4.184 -6.686 -0.944) 7.944 11.777 ( -5.050 -1.773 -1.150) 5.475 11.802 ( -3.782 0.258 2.648) 4.624 11.858 ( -2.179 6.804 1.059) 7.222 12.102 ( 2.793 -3.875 4.046) 6.259 12.155 ( 0.269 -7.526 -0.386) 7.541 12.221 ( 3.443 0.063 -2.734) 4.397 12.245 ( 1.227 -2.990 -0.055) 3.233 12.376 ( -1.476 -4.718 0.585) 4.978 12.468 ( 3.692 -0.604 1.078) 3.893 13.141 ( -3.037 3.242 1.079) 4.571 13.215 ( 1.276 1.330 -0.064) 1.844 13.376 ( -2.435 0.692 -3.572) 4.378 13.409 ( 0.718 1.159 0.525) 1.461 13.615 ( 0.242 1.058 0.500) 1.195 13.638 ( 2.601 5.165 0.537) 5.808 13.725 ( -1.440 -0.047 -0.778) 1.638 13.770 ( 0.473 -0.463 0.382) 0.765 13.873 ( -1.494 4.248 0.463) 4.527 13.894 ( 0.062 2.529 -0.490) 2.577 14.011 ( -0.859 5.013 2.600) 5.712 14.040 ( -1.176 5.025 -0.998) 5.256 14.463 ( -3.454 -2.508 -0.589) 4.309 14.512 ( -0.156 -3.367 -0.153) 3.375 14.541 ( -1.523 0.236 2.188) 2.677 14.595 ( -1.236 -1.092 -1.232) 2.059 14.991 ( 0.724 0.390 -2.868) 2.984 15.051 ( 4.620 -1.129 1.528) 4.995 15.319 ( -0.235 1.802 4.775) 5.109 15.377 ( -5.387 0.167 -7.772) 9.458 15.616 ( -0.664 3.343 0.877) 3.520 15.785 ( 5.524 -1.665 8.378) 10.172 15.850 ( -12.320 0.580 -2.887) 12.667 16.179 ( 6.593 -10.912 -0.833) 12.776 17.850 ( -2.752 2.952 0.219) 4.042 17.924 ( 0.803 3.249 -1.283) 3.584 18.038 ( -2.653 1.302 1.537) 3.331 18.066 ( -2.777 2.683 -1.354) 4.091 18.152 ( 0.709 3.315 -0.156) 3.394 18.335 ( 5.717 0.206 0.896) 5.790 18.404 ( 4.568 0.492 -1.614) 4.869 18.483 ( 5.219 -3.692 1.715) 6.619 18.617 ( -1.717 2.654 0.840) 3.271 18.742 ( 2.393 3.037 -2.032) 4.368 19.051 ( -3.866 5.523 -4.108) 7.894 19.085 ( 1.251 4.003 5.377) 6.819 21.065 ( -3.897 -3.108 -6.187) 7.945 21.168 ( 5.243 -5.059 1.951) 7.543 21.604 ( -2.205 0.640 5.040) 5.538 21.785 ( 4.568 -5.208 -0.307) 6.935 22.622 ( 2.447 -1.474 1.432) 3.196 22.655 ( 2.089 -0.081 -3.165) 3.793 22.769 ( 0.331 -2.601 0.598) 2.690 22.852 ( 3.439 -2.961 0.227) 4.543 22.989 ( -4.100 0.853 0.221) 4.193 23.013 ( -4.541 -2.169 -0.446) 5.052 23.089 ( -0.801 -1.793 -0.890) 2.156 23.121 ( 0.579 -5.270 0.311) 5.310 ======================= Grid point 86 (44/70) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 3.914 8.892 -2.558) 10.046 2.120 ( -5.263 17.215 0.938) 18.026 2.160 ( -5.755 14.855 5.248) 16.772 2.336 ( 5.179 -1.006 2.406) 5.799 2.501 ( -6.068 3.094 2.392) 7.219 2.625 ( 4.164 -2.257 -5.651) 7.373 2.730 ( 6.224 2.022 -3.444) 7.395 2.761 ( 3.045 3.751 -0.128) 4.833 2.848 ( -6.688 1.893 -3.504) 7.784 2.953 ( 7.464 -1.371 1.810) 7.801 3.085 ( 3.989 3.217 2.382) 5.651 3.173 ( 6.375 2.804 -10.378) 12.498 3.213 ( 2.578 -3.862 0.582) 4.680 3.225 ( -3.587 -0.460 5.826) 6.857 3.388 ( 0.610 -4.273 -0.374) 4.332 3.487 ( 1.581 1.399 -5.082) 5.503 3.533 ( 3.705 -3.624 3.391) 6.194 3.559 ( 7.035 -2.573 -1.072) 7.567 3.594 ( -2.334 -3.776 3.024) 5.372 3.668 ( -5.268 -1.527 4.739) 7.249 3.779 ( -6.195 1.139 0.860) 6.357 3.849 ( -0.006 1.752 3.539) 3.949 3.883 ( -2.366 3.817 0.305) 4.501 3.906 ( -1.663 -2.397 -0.876) 3.046 3.968 ( 9.168 -8.150 -0.834) 12.295 4.072 ( 0.777 -6.129 0.316) 6.186 4.105 ( 6.784 -6.478 1.720) 9.536 4.206 ( -2.055 5.464 -3.701) 6.912 4.255 ( 3.309 13.452 -4.211) 14.479 4.297 ( -4.225 -1.751 8.275) 9.455 4.324 ( 3.348 -8.275 -6.342) 10.950 4.433 ( 6.313 2.889 -3.883) 7.955 4.526 ( 0.409 -7.033 1.260) 7.157 4.654 ( -9.368 -1.920 6.746) 11.703 4.687 ( -6.117 -7.765 0.219) 9.887 4.818 ( -2.166 -8.519 -1.910) 8.995 4.861 ( -3.654 -4.986 -0.145) 6.183 4.928 ( -0.753 -3.620 -1.261) 3.907 5.028 ( -8.742 3.678 1.836) 9.660 5.153 ( 0.570 3.807 -10.320) 11.015 5.229 ( -2.489 1.544 1.905) 3.494 5.326 ( -5.392 -3.028 4.579) 7.695 5.356 ( 3.894 0.473 2.163) 4.479 5.442 ( 0.571 0.008 4.885) 4.918 5.510 ( 4.787 -1.482 1.320) 5.182 5.549 ( 3.866 -0.276 0.866) 3.971 5.585 ( -3.105 10.860 2.494) 11.567 5.632 ( -9.994 -2.070 -0.865) 10.243 5.767 ( 4.745 -3.382 3.399) 6.745 5.787 ( -10.609 5.235 -2.315) 12.054 5.863 ( -0.266 -5.136 -6.072) 7.957 5.910 ( -0.305 1.076 -0.753) 1.348 6.059 ( -0.702 -3.085 6.320) 7.068 6.067 ( -1.336 -4.381 -1.142) 4.720 6.150 ( 1.585 -1.982 -1.843) 3.137 6.266 ( 3.445 -5.190 -0.173) 6.232 6.297 ( -2.045 -3.208 1.477) 4.082 6.366 ( 0.306 -0.535 -4.067) 4.114 6.382 ( -1.749 1.531 -2.596) 3.485 6.525 ( 2.602 -8.363 -7.151) 11.307 6.573 ( 6.583 -2.089 -1.142) 7.001 6.668 ( 3.217 2.248 0.817) 4.009 6.715 ( -0.766 -9.695 -0.781) 9.756 6.760 ( -0.835 -3.356 -0.804) 3.551 6.830 ( 4.814 -1.794 0.439) 5.156 6.871 ( -2.068 -3.171 -0.531) 3.822 6.957 ( -1.783 -1.028 -0.247) 2.073 7.001 ( 0.439 1.164 0.853) 1.508 7.131 ( 6.839 -0.746 -2.249) 7.238 7.263 ( 2.331 1.550 0.455) 2.836 7.301 ( 2.105 0.866 2.024) 3.046 7.384 ( 1.092 -0.484 0.269) 1.224 7.439 ( 0.343 5.250 3.474) 6.305 7.489 ( -3.898 1.824 -3.031) 5.264 7.551 ( 7.540 1.596 2.217) 8.020 7.635 ( -3.969 0.312 3.440) 5.261 7.735 ( 6.720 -1.068 0.940) 6.869 7.745 ( -4.326 0.055 -1.208) 4.492 7.813 ( -9.002 -1.420 -3.438) 9.741 7.911 ( -2.505 -2.745 0.929) 3.830 8.058 ( 0.514 -0.331 4.295) 4.339 8.161 ( 5.222 -0.053 0.455) 5.242 8.221 ( 3.274 -2.468 0.187) 4.105 8.284 ( -6.482 -6.775 -0.747) 9.407 8.359 ( -9.737 0.319 0.376) 9.749 8.388 ( -2.484 6.256 -7.862) 10.350 8.504 ( 2.320 -4.103 2.866) 5.516 8.582 ( 1.889 1.803 6.627) 7.123 8.644 ( 3.201 -6.350 -2.640) 7.585 8.813 ( 1.717 -0.979 -2.231) 2.980 8.889 ( 3.100 -4.060 -1.053) 5.216 8.919 ( 2.222 -4.791 1.087) 5.392 9.039 ( 2.647 1.524 -1.338) 3.334 9.094 ( 1.246 -1.062 1.613) 2.298 9.198 ( -2.178 -9.507 2.018) 9.960 9.322 ( 0.042 7.711 0.793) 7.752 9.382 ( 2.403 -1.623 2.588) 3.887 9.413 ( -6.770 1.327 -6.097) 9.207 9.578 ( -1.760 6.864 -1.036) 7.162 9.644 ( 3.461 7.177 2.349) 8.307 9.672 ( -3.041 6.605 1.657) 7.458 9.842 ( 4.842 1.065 5.042) 7.071 9.989 ( 2.473 3.836 -2.406) 5.160 10.084 ( -0.233 1.737 2.874) 3.366 10.155 ( 1.408 2.154 0.668) 2.659 10.201 ( 6.338 -1.167 0.423) 6.459 10.340 ( -1.206 2.611 -0.557) 2.930 10.358 ( -1.122 1.166 -0.683) 1.757 10.447 ( -4.142 3.135 -2.753) 5.879 10.526 ( -2.911 1.437 0.703) 3.322 10.578 ( -0.993 3.995 -1.935) 4.549 10.732 ( -5.093 8.401 -0.780) 9.855 10.853 ( 2.827 -3.295 -2.184) 4.860 10.973 ( -2.377 -0.523 -0.066) 2.435 11.009 ( -0.705 -6.454 -1.061) 6.578 11.103 ( -0.073 4.993 1.053) 5.103 11.145 ( 0.130 2.779 -1.631) 3.225 11.173 ( 2.430 -2.903 1.217) 3.976 11.347 ( 2.007 2.591 -1.911) 3.794 11.461 ( 1.320 -2.119 1.417) 2.870 11.485 ( -1.984 -7.539 3.021) 8.360 11.601 ( -4.174 -1.681 -0.611) 4.541 11.662 ( -1.288 -2.912 -1.826) 3.671 11.713 ( 0.445 -1.568 -1.894) 2.499 11.773 ( -2.557 -1.556 1.246) 3.242 11.832 ( -3.456 7.162 2.029) 8.206 12.137 ( -0.795 -2.911 -0.075) 3.018 12.190 ( 1.781 -3.873 -0.617) 4.307 12.250 ( 3.255 -5.061 -1.933) 6.321 12.291 ( 2.027 -4.648 3.170) 5.980 12.351 ( -0.621 -5.608 -0.749) 5.691 12.536 ( 2.471 -2.152 -0.258) 3.286 13.115 ( -3.235 4.161 3.180) 6.156 13.253 ( 1.229 1.096 2.108) 2.675 13.303 ( -1.367 0.594 -1.545) 2.146 13.416 ( 0.070 -0.523 -0.075) 0.533 13.613 ( 0.179 2.908 -0.703) 2.997 13.672 ( 0.444 3.244 -4.570) 5.622 13.730 ( 2.780 2.328 3.648) 5.143 13.778 ( -0.141 -1.065 -0.326) 1.122 13.835 ( -2.756 4.274 -0.537) 5.114 13.899 ( -0.363 3.100 1.196) 3.342 13.988 ( -1.376 4.962 -2.308) 5.643 14.016 ( -0.806 3.576 -0.000) 3.665 14.393 ( -2.959 -0.098 -0.272) 2.974 14.501 ( -1.099 -1.796 0.258) 2.121 14.536 ( -1.193 0.731 0.714) 1.571 14.548 ( -1.722 1.041 -0.954) 2.227 15.001 ( 1.834 0.750 -0.114) 1.984 15.137 ( 3.885 2.038 -0.107) 4.389 15.231 ( 0.003 0.814 -3.498) 3.591 15.334 ( -1.617 2.916 0.104) 3.336 15.616 ( -9.186 2.997 -0.928) 9.707 15.622 ( 0.183 -0.305 -1.484) 1.526 15.988 ( 4.829 -9.295 6.210) 12.177 16.218 ( -1.860 -18.074 -0.377) 18.173 17.835 ( 0.661 5.487 1.454) 5.715 17.943 ( 1.521 4.463 -0.432) 4.735 17.986 ( -2.895 1.958 -0.267) 3.505 18.023 ( -2.428 3.592 -0.219) 4.341 18.197 ( 4.873 5.106 -0.575) 7.081 18.390 ( -0.786 2.510 -0.099) 2.632 18.469 ( 2.012 5.611 1.175) 6.075 18.530 ( 0.997 -2.090 -0.321) 2.337 18.677 ( 5.305 -4.205 1.126) 6.862 18.743 ( 1.303 0.948 -2.833) 3.260 18.971 ( -0.746 4.171 -1.166) 4.395 19.133 ( -1.405 1.762 2.001) 3.013 20.978 ( -1.668 0.439 1.075) 2.033 21.275 ( 1.966 -5.311 4.190) 7.044 21.611 ( 0.414 1.722 -1.214) 2.148 21.820 ( 3.012 -5.795 -5.291) 8.405 22.645 ( 3.691 1.177 -1.421) 4.127 22.724 ( 3.317 -0.164 1.799) 3.777 22.828 ( 5.148 -3.612 1.454) 6.455 22.869 ( -3.046 -0.716 -0.280) 3.141 22.918 ( -5.279 -1.038 -0.244) 5.385 22.951 ( 0.601 -2.987 0.274) 3.059 23.030 ( -4.632 -2.583 -0.604) 5.338 23.128 ( -0.413 -6.523 0.305) 6.543 ======================= Grid point 87 (45/70) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 4.217 4.479 4.459) 7.598 2.292 ( -1.278 2.014 -3.175) 3.971 2.305 ( 3.529 -5.176 4.095) 7.485 2.393 ( -3.092 -6.518 -3.103) 7.853 2.562 ( -5.873 11.180 5.500) 13.775 2.634 ( 4.631 15.223 0.512) 15.920 2.723 ( -4.917 -1.265 1.798) 5.386 2.862 ( 0.781 -0.661 -6.090) 6.175 2.903 ( 3.697 5.686 -0.988) 6.854 3.028 ( -1.045 -1.175 -0.014) 1.572 3.066 ( -2.730 -4.679 -1.056) 5.518 3.124 ( 2.757 -5.038 -3.995) 6.995 3.233 ( -0.855 1.715 7.287) 7.535 3.291 ( 2.502 0.430 -3.669) 4.462 3.316 ( -2.100 8.147 -5.989) 10.327 3.435 ( 4.011 -3.979 2.248) 6.080 3.483 ( -0.694 -4.463 -1.885) 4.894 3.501 ( 3.031 -5.898 -5.651) 8.712 3.663 ( -0.700 1.963 6.622) 6.943 3.686 ( 4.789 -2.369 0.724) 5.392 3.719 ( -0.254 -1.785 1.854) 2.586 3.776 ( -1.571 -1.152 1.074) 2.225 3.878 ( -4.590 2.079 4.079) 6.482 3.933 ( -6.516 -1.335 3.642) 7.583 3.947 ( 0.832 0.878 6.329) 6.444 4.057 ( 4.754 -4.183 5.307) 8.262 4.168 ( 6.941 7.219 -2.447) 10.309 4.201 ( 0.035 2.870 -2.624) 3.889 4.237 ( 5.019 -0.606 -0.222) 5.060 4.343 ( 6.342 -2.449 -1.955) 7.074 4.360 ( -11.232 -4.547 1.805) 12.251 4.401 ( -1.499 -3.392 -0.015) 3.709 4.440 ( -0.611 -4.140 -3.044) 5.175 4.486 ( -2.056 -3.250 -0.093) 3.847 4.578 ( -2.562 -3.846 -2.122) 5.085 4.661 ( 1.549 -9.419 -4.331) 10.482 4.879 ( -4.176 6.164 -1.667) 7.630 4.985 ( -6.251 0.471 1.640) 6.480 5.038 ( 4.399 5.011 0.701) 6.705 5.098 ( -4.855 2.293 1.008) 5.463 5.191 ( -3.974 -4.856 -7.387) 9.692 5.228 ( -1.634 -3.720 8.282) 9.225 5.356 ( 4.571 4.845 -5.082) 8.378 5.439 ( 2.947 -1.051 1.788) 3.604 5.476 ( -1.895 3.801 5.393) 6.865 5.496 ( -5.494 1.344 -7.046) 9.035 5.560 ( 3.190 -3.615 0.024) 4.821 5.589 ( -7.590 -4.929 1.779) 9.223 5.712 ( 2.855 1.790 -2.737) 4.341 5.778 ( 5.802 -5.662 -1.095) 8.181 5.811 ( 0.204 0.927 -4.008) 4.119 5.869 ( 1.866 -2.951 -9.389) 10.017 5.976 ( -1.361 10.206 4.667) 11.305 6.034 ( -3.248 0.885 -6.283) 7.128 6.091 ( 3.097 0.749 -3.590) 4.800 6.155 ( -2.822 3.216 2.410) 4.910 6.204 ( -3.184 -5.426 0.909) 6.356 6.266 ( -0.822 -4.907 8.198) 9.590 6.492 ( 9.355 1.109 -4.477) 10.430 6.521 ( 2.223 -0.885 -6.772) 7.182 6.629 ( 3.226 2.206 3.295) 5.112 6.674 ( 1.467 0.883 0.474) 1.777 6.778 ( 2.942 5.047 0.892) 5.909 6.809 ( 1.081 4.220 1.239) 4.529 6.882 ( 8.846 -1.887 8.886) 12.680 6.907 ( 2.801 -1.338 10.590) 11.036 7.020 ( -0.471 -0.118 7.733) 7.748 7.061 ( -4.448 -0.736 7.526) 8.773 7.211 ( 2.820 -1.637 0.250) 3.270 7.275 ( 2.647 -2.222 -1.303) 3.693 7.319 ( 0.576 3.785 -6.065) 7.172 7.381 ( -0.320 -4.911 -0.598) 4.958 7.438 ( -2.572 1.696 -3.819) 4.907 7.449 ( -0.140 0.271 -5.761) 5.769 7.561 ( -7.710 -3.160 -5.459) 9.962 7.590 ( -11.243 -2.337 -0.358) 11.489 7.655 ( 1.687 -0.129 2.306) 2.860 7.683 ( -1.122 -1.968 1.154) 2.542 7.739 ( 4.071 -4.940 -6.163) 8.886 7.798 ( -0.372 -10.713 -4.360) 11.572 8.008 ( 0.024 5.337 0.155) 5.339 8.087 ( -2.592 -1.992 -1.833) 3.748 8.253 ( -0.068 4.888 1.909) 5.248 8.337 ( 0.988 -0.211 -2.474) 2.672 8.384 ( -2.472 3.798 4.838) 6.629 8.395 ( 0.165 3.351 2.087) 3.951 8.452 ( -2.276 6.418 5.752) 8.914 8.637 ( 6.022 -5.641 0.884) 8.298 8.714 ( -4.852 1.808 -2.435) 5.722 8.775 ( -0.589 0.587 -0.018) 0.831 8.815 ( 3.685 -3.436 2.001) 5.421 8.853 ( 5.943 -5.692 -0.054) 8.229 8.989 ( -3.062 -1.251 4.083) 5.255 9.071 ( -2.071 -7.425 3.682) 8.543 9.207 ( -1.651 4.763 0.800) 5.104 9.294 ( -0.256 -3.882 -0.475) 3.919 9.396 ( -0.225 10.873 -4.097) 11.621 9.540 ( 3.727 5.112 1.715) 6.555 9.587 ( 0.205 -0.657 -5.785) 5.826 9.663 ( -1.714 -3.014 -4.929) 6.026 9.871 ( -2.008 2.618 2.136) 3.930 9.938 ( -4.409 -1.842 0.874) 4.857 9.977 ( 1.773 -1.739 0.752) 2.595 10.020 ( 0.538 -1.840 -2.581) 3.215 10.218 ( -2.100 1.942 6.243) 6.868 10.275 ( -0.336 -2.132 1.893) 2.871 10.373 ( 3.907 3.001 -1.850) 5.263 10.404 ( 0.522 -0.549 1.137) 1.366 10.461 ( 1.269 6.491 -1.084) 6.702 10.485 ( -1.504 2.844 2.754) 4.235 10.575 ( 2.775 -3.494 -3.315) 5.558 10.639 ( -3.993 -7.671 -1.095) 8.717 10.908 ( 0.799 4.830 2.326) 5.420 10.978 ( 0.591 2.142 -1.898) 2.923 11.056 ( -0.924 5.491 -2.389) 6.059 11.100 ( 5.166 5.143 -5.468) 9.113 11.189 ( 0.014 -1.649 -0.053) 1.650 11.221 ( -0.762 -0.946 -0.392) 1.276 11.359 ( 0.517 -0.601 1.176) 1.418 11.369 ( -0.056 -0.711 4.236) 4.296 11.412 ( -0.806 -5.094 3.623) 6.303 11.436 ( 1.242 -7.054 -2.255) 7.509 11.661 ( -2.968 -0.338 -1.023) 3.157 11.673 ( 0.823 -1.616 -1.040) 2.090 11.836 ( 0.620 9.972 2.877) 10.397 11.976 ( 1.162 5.610 -3.604) 6.768 12.076 ( -2.915 -8.786 1.284) 9.346 12.106 ( 0.936 -4.419 0.011) 4.517 12.166 ( -1.014 4.491 -0.028) 4.604 12.241 ( 2.173 -0.730 -3.054) 3.819 12.351 ( -0.645 -0.464 2.581) 2.700 12.417 ( -0.711 -6.546 -0.631) 6.614 13.207 ( -1.532 4.863 3.590) 6.236 13.284 ( -1.166 -1.665 1.920) 2.796 13.315 ( 2.296 0.266 1.421) 2.713 13.356 ( 0.538 -3.236 -0.191) 3.286 13.634 ( -1.681 2.273 -2.019) 3.474 13.664 ( 0.007 -0.303 -3.225) 3.239 13.759 ( 0.279 0.175 -1.083) 1.132 13.772 ( 1.151 -0.891 -1.783) 2.302 13.913 ( 0.012 3.251 1.873) 3.752 13.943 ( -0.443 0.281 1.692) 1.772 14.015 ( -0.114 2.020 -2.174) 2.970 14.032 ( -0.144 0.351 -1.599) 1.643 14.429 ( 0.112 2.588 3.097) 4.038 14.477 ( 0.129 -2.016 2.957) 3.581 14.546 ( -0.199 1.922 -1.825) 2.658 14.564 ( 0.300 0.194 -0.596) 0.694 15.090 ( 1.547 2.327 4.390) 5.204 15.151 ( 0.596 -3.860 2.521) 4.649 15.346 ( 2.708 6.763 -1.143) 7.374 15.390 ( -0.776 3.232 -1.551) 3.668 15.602 ( 2.151 3.480 -1.224) 4.270 15.618 ( -1.763 1.973 -1.091) 2.862 15.790 ( -7.461 -8.491 -1.769) 11.440 15.835 ( 3.340 -12.054 -2.355) 12.728 17.961 ( -0.751 3.508 1.832) 4.028 17.989 ( -0.176 0.533 1.080) 1.217 18.037 ( -0.005 2.364 -0.566) 2.430 18.052 ( 0.335 1.362 -1.356) 1.951 18.429 ( 4.422 5.735 -0.397) 7.253 18.438 ( -4.751 5.113 -0.608) 7.006 18.485 ( -2.186 -0.581 0.271) 2.278 18.518 ( 3.379 -2.498 -0.743) 4.267 18.662 ( -3.523 -1.757 1.357) 4.164 18.691 ( 3.466 -4.004 0.269) 5.303 19.055 ( 1.348 2.929 -0.367) 3.245 19.092 ( -1.264 -0.662 -2.188) 2.612 21.092 ( 0.540 3.442 7.130) 7.936 21.188 ( -1.481 -5.846 4.160) 7.326 21.626 ( -0.386 2.521 -4.553) 5.218 21.690 ( 1.037 -3.887 -5.999) 7.223 22.769 ( 1.053 4.038 0.065) 4.173 22.785 ( -2.741 2.287 -0.904) 3.682 22.828 ( 3.632 0.306 0.940) 3.764 22.834 ( -2.222 -0.545 0.472) 2.336 22.871 ( -1.741 -1.649 0.245) 2.411 22.888 ( -0.533 -2.482 -0.115) 2.541 22.915 ( 3.708 -2.255 1.540) 4.605 22.965 ( -1.001 -6.665 -0.524) 6.760 ======================= Grid point 88 (46/70) ======================= q-point: ( 0.17 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -9.303 3.472 -2.134) 10.156 2.216 ( -7.976 -8.102 -4.754) 12.323 2.360 ( 3.694 3.609 4.074) 6.578 2.444 ( 3.969 -2.824 0.849) 4.944 2.593 ( 1.080 8.434 7.318) 11.218 2.616 ( -3.468 9.598 -0.946) 10.249 2.753 ( 2.254 -1.314 -1.360) 2.943 2.822 ( 3.775 -4.101 -5.138) 7.581 2.903 ( -4.216 3.487 1.573) 5.692 2.969 ( -2.891 6.045 -0.705) 6.738 3.036 ( 2.323 1.470 -3.858) 4.737 3.149 ( -2.009 -3.261 -1.467) 4.102 3.172 ( -9.036 1.267 0.661) 9.148 3.269 ( 1.324 -7.821 4.837) 9.290 3.340 ( 2.583 4.303 -0.458) 5.040 3.400 ( -4.480 0.143 -2.296) 5.036 3.488 ( -2.958 -3.387 -1.554) 4.758 3.510 ( 0.079 -5.847 0.272) 5.853 3.643 ( -5.355 5.936 2.097) 8.265 3.675 ( -0.250 -0.956 0.515) 1.114 3.763 ( -0.769 3.837 -3.018) 4.942 3.784 ( 1.401 -3.049 1.286) 3.593 3.830 ( -5.463 1.802 3.904) 6.952 3.873 ( 3.459 -3.950 -0.108) 5.252 4.027 ( -6.821 -0.736 -2.963) 7.473 4.083 ( -0.811 -2.537 3.687) 4.548 4.134 ( -6.316 4.695 0.685) 7.900 4.172 ( -0.322 -0.880 -1.344) 1.638 4.233 ( -2.878 -3.094 -2.906) 5.128 4.303 ( 1.503 2.118 -4.952) 5.592 4.337 ( -2.010 0.730 -0.326) 2.164 4.407 ( -1.104 -8.329 4.002) 9.306 4.469 ( 0.006 -8.561 5.664) 10.266 4.524 ( 11.675 6.569 -1.738) 13.509 4.594 ( 4.602 -12.343 -5.825) 14.403 4.690 ( 5.477 -3.622 3.056) 7.242 4.816 ( -5.344 -0.625 2.291) 5.848 4.884 ( -1.499 -7.106 3.999) 8.290 5.061 ( 3.887 5.722 0.597) 6.943 5.154 ( -1.541 2.941 9.856) 10.401 5.195 ( 2.563 -1.038 -2.799) 3.935 5.231 ( -7.414 1.289 3.496) 8.298 5.352 ( 9.901 -1.823 -0.833) 10.102 5.367 ( 1.101 2.635 -5.085) 5.832 5.495 ( 1.954 2.313 0.916) 3.164 5.559 ( 1.854 3.673 2.282) 4.705 5.606 ( 0.330 -3.871 0.257) 3.893 5.672 ( 2.655 -1.932 3.571) 4.851 5.698 ( 8.501 1.437 -4.904) 9.919 5.728 ( 2.526 -2.142 -8.544) 9.163 5.854 ( 5.655 4.311 -1.122) 7.199 5.921 ( 2.339 0.225 -0.537) 2.411 5.942 ( 2.562 -1.067 2.963) 4.060 6.021 ( 4.806 -6.066 -5.532) 9.513 6.111 ( -3.459 7.923 4.012) 9.531 6.166 ( 2.621 4.322 1.467) 5.263 6.275 ( 2.600 -1.870 2.624) 4.141 6.327 ( 5.242 -4.989 3.953) 8.246 6.463 ( -0.870 3.050 -4.685) 5.658 6.538 ( -0.280 -4.133 -2.884) 5.047 6.612 ( -4.658 3.625 -4.663) 7.522 6.684 ( -3.100 -3.808 -3.912) 6.278 6.759 ( -2.887 8.501 0.432) 8.988 6.792 ( -0.076 3.781 0.675) 3.841 6.932 ( -3.019 5.388 -4.798) 7.821 6.960 ( -5.357 -2.526 -6.200) 8.574 7.057 ( -6.215 -3.978 -0.326) 7.386 7.119 ( -0.057 5.547 0.490) 5.569 7.236 ( 1.939 -4.039 6.708) 8.067 7.267 ( -4.005 -6.938 -5.027) 9.458 7.306 ( 0.649 4.615 1.136) 4.797 7.353 ( -0.580 -1.269 -4.206) 4.432 7.406 ( 5.645 -0.528 0.707) 5.714 7.410 ( 0.412 0.389 3.804) 3.846 7.477 ( 0.759 -3.177 2.544) 4.140 7.512 ( 1.974 -5.121 2.827) 6.174 7.572 ( -5.767 -4.667 -0.381) 7.429 7.685 ( -0.169 -11.131 0.547) 11.145 7.806 ( 3.574 3.429 1.475) 5.168 7.879 ( 8.901 -4.282 2.983) 10.318 8.022 ( 0.235 4.596 2.134) 5.073 8.043 ( -0.192 1.206 -2.335) 2.635 8.264 ( -6.774 2.673 0.273) 7.288 8.291 ( 0.300 1.852 1.181) 2.217 8.358 ( -3.161 -0.027 5.644) 6.469 8.410 ( 1.288 -0.317 -0.491) 1.415 8.491 ( -2.231 4.877 0.168) 5.365 8.587 ( -6.721 -3.811 -4.147) 8.769 8.725 ( 5.119 4.994 2.869) 7.705 8.783 ( -0.284 3.340 -2.369) 4.105 8.802 ( -0.761 -3.382 -1.007) 3.610 8.925 ( 1.169 -7.616 -1.301) 7.814 9.024 ( -2.273 -1.667 5.574) 6.246 9.058 ( 0.076 -4.193 0.046) 4.194 9.194 ( -1.643 2.418 4.759) 5.585 9.294 ( 1.248 -4.715 1.137) 5.008 9.376 ( -2.693 10.108 2.709) 10.806 9.419 ( -2.196 6.028 -6.910) 9.429 9.596 ( -1.286 0.763 -5.684) 5.878 9.668 ( 3.832 -3.984 -1.727) 5.791 9.822 ( -7.003 -4.489 1.831) 8.517 9.829 ( -5.665 -2.052 0.598) 6.054 9.980 ( -5.006 -0.462 -0.062) 5.028 9.991 ( -3.993 -1.175 2.635) 4.926 10.242 ( 0.161 2.378 3.122) 3.927 10.282 ( 1.268 0.737 0.313) 1.499 10.363 ( -0.007 1.849 -0.968) 2.087 10.391 ( 1.752 2.029 -2.213) 3.477 10.545 ( 7.529 4.462 0.052) 8.752 10.562 ( 3.352 1.697 -1.822) 4.175 10.621 ( 5.777 -1.627 -1.483) 6.182 10.656 ( 4.028 -6.418 2.935) 8.126 10.916 ( -2.819 5.281 1.088) 6.084 10.971 ( 0.714 0.770 0.370) 1.113 11.017 ( -0.512 7.768 -3.938) 8.724 11.117 ( 1.564 -2.995 -0.332) 3.395 11.149 ( -1.644 3.285 -2.331) 4.351 11.233 ( 0.584 -1.996 0.225) 2.092 11.344 ( -3.260 0.501 0.670) 3.366 11.386 ( -1.575 -3.944 0.529) 4.280 11.430 ( -0.240 -2.867 1.619) 3.301 11.492 ( 7.445 -6.740 -2.198) 10.281 11.647 ( 2.772 2.739 -1.211) 4.081 11.721 ( 3.959 -3.166 1.443) 5.271 11.836 ( -3.471 8.151 0.753) 8.891 11.982 ( 3.680 5.232 -1.919) 6.679 12.023 ( -4.155 -6.419 1.958) 7.893 12.134 ( 0.757 -1.663 1.630) 2.449 12.148 ( 0.244 0.008 -1.355) 1.376 12.227 ( -0.924 -4.083 -2.075) 4.673 12.352 ( -0.875 2.327 1.002) 2.680 12.428 ( 1.163 -3.904 0.774) 4.146 13.225 ( -1.003 3.576 3.038) 4.799 13.279 ( -1.248 -0.778 1.622) 2.189 13.365 ( 2.311 -0.789 -1.518) 2.875 13.390 ( 2.887 -2.236 0.251) 3.660 13.592 ( -0.707 2.868 -0.598) 3.014 13.639 ( 0.274 -1.390 -0.770) 1.613 13.740 ( -0.323 1.319 -1.525) 2.042 13.769 ( 0.521 -1.218 -0.653) 1.477 13.951 ( 0.805 2.596 3.040) 4.078 13.968 ( 0.595 1.018 2.272) 2.560 13.997 ( 0.901 2.237 -2.426) 3.421 14.023 ( 1.686 -0.166 -2.330) 2.881 14.463 ( -0.511 2.266 2.435) 3.365 14.503 ( -0.307 -0.588 1.032) 1.227 14.524 ( 0.014 1.311 -0.720) 1.496 14.558 ( 0.473 -1.080 -1.659) 2.036 15.104 ( -5.806 0.578 -1.169) 5.951 15.124 ( -3.926 -1.146 1.861) 4.493 15.300 ( -3.413 6.060 -4.099) 8.073 15.379 ( 0.680 0.689 -0.776) 1.241 15.609 ( 2.081 1.833 -2.403) 3.669 15.674 ( 2.525 -4.616 2.565) 5.854 15.756 ( 8.135 4.474 1.778) 9.453 15.938 ( 8.679 -12.958 0.619) 15.608 17.962 ( -1.016 4.520 1.943) 5.024 17.994 ( -0.461 1.653 -0.026) 1.716 18.041 ( 0.721 1.317 0.108) 1.505 18.060 ( 1.850 -0.494 -0.359) 1.949 18.303 ( -7.629 5.296 -0.971) 9.338 18.376 ( -5.990 -1.480 -0.098) 6.171 18.471 ( -2.689 0.504 -0.561) 2.793 18.552 ( -4.711 -6.369 0.680) 7.951 18.643 ( 4.105 7.302 1.013) 8.438 18.752 ( 2.932 -2.709 -0.665) 4.047 19.051 ( -0.346 2.784 -2.296) 3.625 19.094 ( 2.735 -0.761 0.135) 2.842 21.174 ( -1.401 -0.525 4.253) 4.509 21.193 ( -1.574 -2.452 4.225) 5.132 21.549 ( -2.584 3.078 -2.634) 4.805 21.623 ( -1.053 -4.294 -5.128) 6.770 22.678 ( -5.496 3.006 0.053) 6.264 22.755 ( -5.127 -4.081 0.763) 6.597 22.788 ( -1.225 2.904 0.598) 3.208 22.839 ( -2.398 -2.210 -0.530) 3.304 22.909 ( 4.494 0.622 0.522) 4.567 22.941 ( 4.754 1.433 -0.414) 4.982 22.976 ( 3.231 -4.514 -0.509) 5.575 23.005 ( 3.791 -4.011 0.243) 5.525 ======================= Grid point 89 (47/70) ======================= q-point: ( 0.33 0.44 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -4.216 1.872 -2.216) 5.118 2.046 ( -3.265 -7.527 -6.173) 10.268 2.429 ( 0.184 4.508 2.439) 5.129 2.525 ( 5.184 -3.320 -0.513) 6.178 2.589 ( 1.182 10.222 2.020) 10.486 2.708 ( 1.081 5.836 5.726) 8.247 2.739 ( -0.125 -3.403 -1.384) 3.676 2.795 ( -5.269 3.773 -1.578) 6.670 2.910 ( 3.478 2.193 -2.895) 5.029 2.928 ( 1.130 -3.953 4.323) 5.966 3.000 ( -6.172 -2.726 -0.678) 6.781 3.036 ( -0.286 -1.448 -0.555) 1.577 3.109 ( 0.751 2.971 -2.671) 4.065 3.216 ( -9.892 5.374 -0.606) 11.274 3.324 ( -0.775 -7.837 2.638) 8.305 3.345 ( -7.265 -4.004 -0.458) 8.308 3.394 ( -3.919 4.805 2.070) 6.537 3.474 ( -1.427 -1.422 -3.526) 4.061 3.550 ( -10.823 -3.543 3.279) 11.851 3.656 ( -3.735 -5.493 1.353) 6.779 3.705 ( -1.723 1.535 -3.131) 3.889 3.765 ( -4.660 1.675 3.171) 5.880 3.873 ( -2.231 3.367 -3.173) 5.136 3.899 ( 9.693 -1.289 -4.177) 10.633 3.978 ( 3.418 -4.734 -0.610) 5.870 4.042 ( 12.112 -4.511 -5.121) 13.902 4.088 ( -5.294 3.794 -0.782) 6.560 4.174 ( -1.237 3.635 -1.768) 4.227 4.211 ( 2.249 -7.782 -0.345) 8.108 4.263 ( -3.015 -2.739 4.498) 6.069 4.349 ( 2.114 7.165 1.157) 7.559 4.462 ( -4.481 -2.378 5.203) 7.267 4.515 ( -2.291 -7.111 5.357) 9.193 4.561 ( 1.419 -8.165 -6.227) 10.366 4.605 ( -0.609 1.907 -1.849) 2.725 4.668 ( -0.298 -3.229 -3.680) 4.905 4.888 ( 2.646 8.074 10.311) 13.360 4.998 ( 2.310 -0.866 5.976) 6.465 5.113 ( 4.486 3.487 -3.326) 6.584 5.199 ( 4.069 -6.905 -6.256) 10.167 5.249 ( -3.721 -1.338 5.284) 6.600 5.283 ( 6.332 -0.947 6.095) 8.839 5.382 ( 5.239 4.281 3.850) 7.785 5.452 ( -0.765 2.699 -4.048) 4.925 5.496 ( 3.195 -9.159 -8.226) 12.719 5.556 ( -1.184 -1.834 -0.535) 2.247 5.612 ( -2.351 2.317 6.822) 7.579 5.690 ( -0.259 -4.469 3.259) 5.537 5.807 ( 3.189 2.963 5.441) 6.968 5.830 ( 7.316 1.823 -0.281) 7.545 5.934 ( 0.825 4.850 -0.978) 5.016 6.008 ( -2.862 -0.870 0.110) 2.994 6.022 ( 3.554 -3.106 -0.726) 4.776 6.065 ( 6.936 -5.162 -1.238) 8.734 6.139 ( 2.398 4.212 2.175) 5.313 6.165 ( 4.326 1.498 3.590) 5.818 6.356 ( 2.629 2.009 -0.169) 3.313 6.387 ( -3.080 6.285 2.381) 7.393 6.404 ( -3.726 -1.297 -0.901) 4.047 6.494 ( -1.180 0.788 -2.599) 2.961 6.517 ( 7.211 1.737 -0.302) 7.423 6.573 ( 0.711 -2.963 -4.162) 5.159 6.714 ( -1.473 5.242 -0.083) 5.446 6.752 ( -2.376 6.314 -8.662) 10.979 6.783 ( -2.748 -0.039 -2.652) 3.820 6.902 ( -3.678 1.223 -1.168) 4.048 6.912 ( -0.431 -7.143 -4.589) 8.501 7.078 ( -1.241 -11.622 -9.970) 15.363 7.137 ( 2.789 5.829 -3.695) 7.444 7.221 ( -4.389 0.856 -2.383) 5.067 7.314 ( -0.284 -0.119 -3.588) 3.601 7.358 ( -0.027 7.842 2.004) 8.095 7.391 ( -6.400 -0.075 -2.142) 6.749 7.494 ( -0.854 3.055 4.358) 5.390 7.540 ( 7.169 -1.832 4.332) 8.574 7.599 ( -1.078 -0.111 5.715) 5.817 7.608 ( 1.501 -2.211 4.130) 4.919 7.681 ( -1.006 -8.779 4.168) 9.770 7.883 ( 1.813 -0.027 -0.161) 1.820 7.961 ( -4.491 2.700 2.862) 5.971 7.989 ( 0.347 -2.555 -3.477) 4.329 8.076 ( -3.320 -10.423 2.989) 11.340 8.182 ( -4.227 3.775 2.834) 6.337 8.238 ( -7.364 -2.339 4.491) 8.937 8.373 ( 3.961 2.536 -4.249) 6.338 8.428 ( 4.341 -1.322 -1.351) 4.735 8.508 ( 1.123 1.968 0.873) 2.428 8.580 ( -3.810 -4.750 -0.963) 6.165 8.653 ( 7.182 3.153 -1.379) 7.964 8.698 ( -1.146 -1.267 -2.796) 3.277 8.870 ( 0.982 1.484 -0.950) 2.017 8.913 ( -0.375 -3.376 -3.864) 5.145 8.991 ( -5.226 -1.194 1.983) 5.715 9.040 ( -2.856 -3.612 -1.015) 4.715 9.250 ( 3.720 2.722 -5.337) 7.052 9.326 ( -0.186 0.135 2.134) 2.146 9.379 ( 3.827 5.493 6.268) 9.171 9.458 ( -2.417 1.471 -7.757) 8.257 9.534 ( 1.445 -4.319 8.388) 9.545 9.622 ( -1.295 -7.030 1.090) 7.231 9.672 ( -6.580 5.821 -0.399) 8.795 9.762 ( -5.146 -1.433 1.212) 5.478 9.894 ( -6.639 0.555 4.751) 8.183 9.942 ( -6.917 -2.383 5.804) 9.338 10.310 ( 3.276 3.132 -0.635) 4.576 10.341 ( 3.719 2.042 -0.950) 4.348 10.363 ( 3.580 1.227 -2.630) 4.609 10.400 ( 2.495 0.957 -3.946) 4.766 10.592 ( 3.771 2.391 -1.523) 4.718 10.652 ( 3.451 0.623 -1.531) 3.826 10.695 ( 2.821 1.604 1.806) 3.714 10.747 ( 1.325 -4.120 1.819) 4.695 10.878 ( 1.111 6.818 -2.600) 7.381 10.958 ( -3.339 -0.279 1.093) 3.524 10.996 ( 1.351 2.774 2.529) 3.989 11.131 ( -1.338 -2.738 3.250) 4.455 11.151 ( 3.008 6.916 -2.639) 7.991 11.186 ( -3.950 -3.824 -1.246) 5.637 11.279 ( -5.104 -3.446 0.638) 6.191 11.341 ( -0.840 -7.363 -2.298) 7.759 11.473 ( 4.155 2.539 -2.096) 5.301 11.582 ( 6.178 -5.640 -4.190) 9.356 11.698 ( 2.512 3.479 1.398) 4.514 11.776 ( -1.220 6.713 -0.962) 6.890 11.815 ( 2.339 -1.780 2.672) 3.972 11.948 ( -3.620 -9.554 0.106) 10.217 12.068 ( 3.100 3.331 1.081) 4.677 12.114 ( -0.985 1.498 -2.550) 3.117 12.174 ( -0.211 -2.328 2.370) 3.329 12.206 ( 0.918 -0.822 0.939) 1.549 12.349 ( -0.019 4.339 -0.441) 4.361 12.442 ( -1.134 -3.491 0.866) 3.771 13.233 ( -0.339 2.548 0.240) 2.582 13.288 ( 0.601 -2.160 0.389) 2.276 13.361 ( 0.213 2.324 -2.452) 3.385 13.422 ( 1.421 -3.053 -1.096) 3.542 13.598 ( 0.304 2.585 1.764) 3.144 13.651 ( 0.034 -2.724 1.574) 3.146 13.722 ( 0.045 3.078 -1.095) 3.267 13.772 ( 0.322 -1.699 -0.554) 1.816 13.977 ( 0.866 2.824 -2.779) 4.055 13.991 ( -0.212 1.383 -0.800) 1.612 14.008 ( 1.118 2.843 3.395) 4.567 14.049 ( 1.920 -0.621 1.769) 2.683 14.463 ( 0.078 1.936 -0.480) 1.996 14.504 ( 0.223 -1.486 -0.715) 1.664 14.529 ( -0.105 0.426 1.138) 1.220 14.551 ( 0.371 -1.173 -0.268) 1.259 14.990 ( -3.701 1.475 -1.695) 4.330 15.040 ( -3.946 -3.507 -1.386) 5.458 15.241 ( -1.075 6.087 0.975) 6.257 15.347 ( -1.654 -3.916 0.354) 4.266 15.675 ( 4.433 5.949 1.128) 7.504 15.757 ( 1.759 -2.312 2.500) 3.833 15.926 ( 8.907 3.978 -1.169) 9.825 16.066 ( 4.065 -9.509 -0.350) 10.347 17.964 ( -1.580 5.572 0.692) 5.833 18.002 ( 1.685 2.917 -0.184) 3.374 18.052 ( 1.172 -0.467 0.060) 1.263 18.082 ( 0.983 -3.515 -0.216) 3.656 18.195 ( -3.351 3.250 -0.492) 4.694 18.265 ( -6.071 -3.370 -0.893) 7.001 18.394 ( -4.737 1.676 -0.131) 5.027 18.456 ( -6.393 -3.285 1.249) 7.296 18.725 ( 3.999 3.810 -1.011) 5.616 18.771 ( 1.014 0.301 -1.658) 1.967 19.042 ( 0.667 5.586 1.264) 5.766 19.146 ( 2.065 -3.487 1.903) 4.477 21.124 ( -1.688 1.880 -5.021) 5.621 21.199 ( -2.815 -5.028 -0.805) 5.819 21.529 ( -0.338 1.115 3.951) 4.119 21.570 ( -1.693 -3.001 1.811) 3.892 22.604 ( -3.359 3.408 0.179) 4.788 22.678 ( -3.361 -3.510 -1.145) 4.993 22.777 ( -0.709 0.386 -0.367) 0.887 22.798 ( -1.356 -1.558 0.614) 2.155 22.991 ( 3.654 0.803 0.624) 3.793 23.004 ( 3.308 -0.004 -0.740) 3.390 23.031 ( 2.307 -2.339 0.601) 3.340 23.041 ( 1.284 -2.977 -0.831) 3.347 ======================= Grid point 90 (48/70) ======================= q-point: (-0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 1.591 1.465 -1.182) 2.465 1.994 ( 4.909 -6.341 -5.446) 9.693 2.458 ( -1.162 5.393 3.204) 6.380 2.584 ( -2.291 -4.101 -1.119) 4.829 2.605 ( 0.674 2.344 1.984) 3.144 2.690 ( -2.027 -2.394 -2.257) 3.865 2.721 ( 0.610 4.892 0.027) 4.930 2.785 ( -1.088 7.237 5.440) 9.119 2.884 ( -0.592 -2.331 -4.167) 4.811 2.940 ( 3.108 3.977 -2.343) 5.564 3.003 ( -2.485 0.597 5.968) 6.493 3.090 ( -1.196 -0.115 -0.053) 1.203 3.102 ( 5.621 -4.592 0.747) 7.297 3.209 ( 1.119 -2.640 -0.697) 2.951 3.240 ( 5.290 4.492 1.580) 7.118 3.314 ( -7.735 4.836 2.167) 9.376 3.376 ( 0.357 2.264 1.087) 2.537 3.401 ( 5.272 -5.893 -2.674) 8.347 3.462 ( -8.033 -5.916 8.353) 13.012 3.553 ( -1.750 -12.261 -4.910) 13.323 3.663 ( -2.710 2.196 -1.788) 3.920 3.781 ( 1.838 -1.592 1.209) 2.716 3.851 ( 0.971 1.913 0.463) 2.195 3.948 ( 3.526 7.749 -5.856) 10.333 3.976 ( -1.068 -4.560 -3.681) 5.957 4.047 ( -1.125 7.533 -3.055) 8.206 4.113 ( 3.327 -2.122 -0.720) 4.011 4.185 ( 6.645 -3.006 -2.780) 7.805 4.235 ( -2.576 -3.821 0.342) 4.621 4.270 ( -2.421 -8.939 3.299) 9.831 4.377 ( -3.042 -1.265 -0.438) 3.324 4.430 ( 4.669 -2.061 -0.595) 5.139 4.478 ( -4.281 -0.834 1.402) 4.581 4.521 ( -0.072 1.982 -2.465) 3.163 4.612 ( -1.211 -5.314 4.434) 7.026 4.680 ( 1.703 -8.516 2.654) 9.081 4.974 ( -0.204 1.729 -0.981) 1.999 5.059 ( -6.931 -1.645 2.894) 7.689 5.111 ( 0.155 -0.840 -4.476) 4.557 5.190 ( -3.240 1.301 1.554) 3.822 5.265 ( 3.942 6.073 2.486) 7.655 5.315 ( -5.551 2.430 3.702) 7.101 5.419 ( 0.488 -1.987 -0.298) 2.068 5.484 ( 7.032 -0.031 -1.070) 7.113 5.516 ( -1.675 -1.563 0.588) 2.366 5.551 ( 0.680 -0.309 2.368) 2.483 5.660 ( 3.043 1.965 2.509) 4.407 5.694 ( 1.226 -3.024 -4.165) 5.291 5.805 ( -7.410 7.669 -3.065) 11.096 5.866 ( -2.138 -2.097 -0.835) 3.109 5.919 ( 0.649 2.632 6.142) 6.713 5.975 ( 0.477 -0.521 5.392) 5.438 6.041 ( 1.227 2.777 -1.480) 3.377 6.062 ( -2.287 1.597 -0.980) 2.957 6.178 ( -2.043 4.848 -1.553) 5.485 6.296 ( 0.051 -4.565 2.103) 5.026 6.312 ( -0.112 5.198 -0.981) 5.291 6.404 ( -9.917 -0.542 4.951) 11.097 6.460 ( -2.234 -1.759 5.013) 5.764 6.520 ( 2.494 -5.241 0.382) 5.817 6.595 ( 1.238 3.227 0.979) 3.592 6.633 ( 6.012 1.932 -2.547) 6.810 6.693 ( 10.655 1.541 -1.278) 10.841 6.727 ( 3.167 -3.130 -1.347) 4.652 6.781 ( -1.894 1.179 3.858) 4.457 6.835 ( 5.501 0.029 2.519) 6.051 6.926 ( 5.245 -0.091 -3.021) 6.054 7.022 ( 7.756 -8.276 -11.434) 16.105 7.108 ( -1.077 4.414 -5.769) 7.343 7.164 ( 4.536 2.891 -4.988) 7.336 7.216 ( -3.337 -2.262 -5.847) 7.102 7.258 ( -3.448 1.708 -3.403) 5.137 7.330 ( -2.175 7.177 -1.864) 7.728 7.514 ( -4.545 -3.539 0.948) 5.838 7.558 ( -3.437 4.453 1.328) 5.780 7.636 ( -0.368 -3.111 1.836) 3.631 7.712 ( 0.930 -2.105 6.655) 7.042 7.746 ( 1.330 0.230 8.492) 8.598 7.889 ( -0.787 -0.689 -0.298) 1.088 7.946 ( 1.212 -4.699 0.798) 4.918 7.979 ( -0.458 1.029 3.365) 3.549 8.078 ( -2.442 -9.470 1.018) 9.833 8.098 ( -2.017 0.763 -1.243) 2.489 8.167 ( -2.583 -1.108 2.890) 4.032 8.363 ( 0.449 -0.813 -8.817) 8.865 8.408 ( -2.061 -2.502 -3.778) 4.978 8.483 ( -2.033 -0.425 -1.947) 2.847 8.546 ( 1.411 -5.844 0.360) 6.023 8.701 ( -2.010 6.390 -2.666) 7.210 8.791 ( 1.352 -1.785 -1.709) 2.817 8.828 ( 5.660 -1.942 -0.499) 6.004 8.880 ( -1.575 -5.553 1.297) 5.916 8.970 ( 1.492 3.977 1.587) 4.535 9.040 ( 0.372 -0.907 0.975) 1.382 9.142 ( -3.020 3.245 -7.475) 8.690 9.251 ( 0.622 -6.715 -10.811) 12.742 9.352 ( -3.328 4.802 2.828) 6.491 9.439 ( -1.043 -2.930 1.928) 3.660 9.631 ( 4.104 2.735 1.554) 5.171 9.699 ( 1.093 -2.533 -1.749) 3.267 9.726 ( 4.702 6.823 9.955) 12.953 9.810 ( 2.006 -1.317 7.544) 7.917 9.852 ( -8.230 0.950 10.150) 13.102 9.896 ( -4.418 -2.117 6.742) 8.334 10.289 ( -0.019 4.830 -4.536) 6.626 10.354 ( 2.222 1.017 -6.022) 6.498 10.398 ( 0.930 0.759 -1.472) 1.899 10.405 ( 1.523 0.974 -1.204) 2.172 10.597 ( 0.651 -0.263 -4.083) 4.143 10.620 ( -1.704 0.287 -2.859) 3.341 10.762 ( 2.762 2.910 3.554) 5.360 10.812 ( 0.195 -4.788 5.219) 7.085 10.883 ( -0.673 5.233 -1.180) 5.406 10.935 ( -1.753 2.117 0.968) 2.914 11.013 ( -2.078 1.315 -0.812) 2.590 11.090 ( 2.470 5.695 -3.924) 7.344 11.154 ( -4.465 -7.075 3.856) 9.212 11.192 ( -0.037 -1.989 0.096) 1.992 11.244 ( 2.798 1.057 3.171) 4.359 11.326 ( 1.186 -4.990 -1.730) 5.413 11.482 ( 0.956 2.629 -3.810) 4.726 11.594 ( 2.763 -5.470 -6.003) 8.579 11.756 ( 1.526 1.913 1.450) 2.845 11.766 ( -0.151 3.678 0.490) 3.714 11.844 ( -2.905 -2.524 1.575) 4.158 11.899 ( -0.521 -10.232 -0.670) 10.267 12.068 ( -0.065 3.332 -0.422) 3.359 12.107 ( 0.181 2.783 -1.532) 3.182 12.206 ( -0.450 1.300 3.527) 3.786 12.240 ( 0.658 1.292 1.721) 2.250 12.351 ( 0.326 1.304 0.223) 1.363 12.411 ( -1.511 -3.171 -1.053) 3.667 13.223 ( -0.529 2.615 -0.537) 2.722 13.264 ( -1.417 -0.754 -2.740) 3.176 13.368 ( 1.801 1.268 0.407) 2.240 13.417 ( 0.085 -2.945 -1.857) 3.483 13.625 ( -0.340 2.101 2.293) 3.129 13.669 ( -0.289 -2.526 2.173) 3.345 13.713 ( 0.616 3.098 -1.480) 3.489 13.762 ( 0.282 -1.675 -1.759) 2.445 13.957 ( -0.274 2.253 -1.419) 2.677 13.964 ( -0.949 1.355 -1.362) 2.143 14.059 ( 0.147 2.719 3.103) 4.128 14.092 ( 0.248 -0.256 1.677) 1.714 14.460 ( -0.383 0.473 -0.202) 0.641 14.487 ( -0.780 -1.925 -1.490) 2.556 14.542 ( 0.087 1.044 1.339) 1.700 14.569 ( 0.953 -1.441 0.618) 1.835 14.968 ( 1.591 0.932 0.516) 1.914 14.999 ( 0.460 -2.083 -0.924) 2.325 15.282 ( 1.209 4.416 5.340) 7.034 15.370 ( 1.215 -4.000 3.238) 5.288 15.727 ( -0.136 4.687 0.979) 4.790 15.762 ( -2.695 1.115 0.576) 2.973 15.997 ( 1.872 -0.470 -3.484) 3.983 16.040 ( -2.715 -4.031 -4.211) 6.431 17.945 ( -0.776 5.059 0.326) 5.129 18.001 ( 0.018 3.702 -2.190) 4.302 18.053 ( -0.870 -4.199 0.197) 4.293 18.092 ( -1.324 -4.141 -1.555) 4.617 18.192 ( 1.047 1.812 1.621) 2.647 18.222 ( 3.863 -0.227 1.385) 4.110 18.341 ( -0.052 0.726 -0.537) 0.905 18.375 ( -2.631 -1.888 -1.204) 3.455 18.743 ( -0.583 2.387 -1.420) 2.838 18.763 ( 1.233 0.633 -1.930) 2.377 19.103 ( 1.052 6.293 5.450) 8.391 19.190 ( -0.584 -1.352 2.096) 2.562 21.047 ( 0.875 0.041 -5.254) 5.327 21.102 ( -2.232 -4.920 -6.462) 8.423 21.583 ( -0.683 1.003 6.042) 6.163 21.620 ( 1.678 -2.734 4.774) 5.751 22.573 ( -0.144 1.931 0.087) 1.938 22.627 ( 0.046 -3.233 -2.427) 4.043 22.778 ( 1.023 0.267 0.430) 1.142 22.787 ( -0.960 0.006 0.300) 1.006 23.015 ( -1.173 -1.376 -0.583) 1.899 23.024 ( 0.724 -1.932 -0.916) 2.258 23.057 ( -0.347 -0.403 0.688) 0.869 23.061 ( 0.941 -0.648 0.497) 1.246 ======================= Grid point 91 (49/70) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 5.976 2.705 -2.705) 7.096 2.057 ( 8.912 -6.726 -5.821) 12.591 2.409 ( -5.688 4.540 0.696) 7.311 2.493 ( -4.353 -2.692 -0.822) 5.184 2.625 ( -1.947 4.504 4.693) 6.790 2.678 ( -2.803 -1.902 2.093) 3.982 2.770 ( 3.767 3.897 0.180) 5.422 2.813 ( -1.602 4.972 0.445) 5.243 2.880 ( 4.137 3.986 2.809) 6.394 2.970 ( 2.316 0.105 0.086) 2.320 3.039 ( 2.866 8.626 -3.327) 9.679 3.086 ( -2.411 -2.204 -1.771) 3.716 3.144 ( 8.926 2.860 -2.358) 9.665 3.269 ( 2.059 -3.092 2.606) 4.538 3.287 ( 5.079 -4.688 -1.222) 7.019 3.367 ( -4.735 -4.901 -3.420) 7.625 3.427 ( 9.713 -3.238 1.219) 10.311 3.445 ( -0.318 3.152 5.599) 6.433 3.455 ( 1.389 -7.641 4.972) 9.222 3.514 ( -1.727 -7.931 -0.716) 8.149 3.656 ( 6.083 2.582 -0.928) 6.673 3.783 ( 1.127 -6.029 -7.154) 9.423 3.870 ( -1.849 -0.588 -1.825) 2.664 3.916 ( 0.424 -0.284 0.264) 0.575 3.958 ( 2.008 7.013 -1.971) 7.557 4.011 ( 3.152 8.259 -2.016) 9.067 4.135 ( -0.656 -6.594 -5.250) 8.455 4.182 ( 1.156 -3.365 -3.576) 5.045 4.261 ( -2.259 0.092 5.559) 6.001 4.293 ( 0.094 -1.675 4.415) 4.723 4.306 ( -6.644 -2.278 1.900) 7.276 4.418 ( 2.961 -3.371 3.208) 5.516 4.516 ( 7.294 -0.292 -3.766) 8.214 4.571 ( 5.499 -4.061 -2.702) 7.351 4.624 ( -2.992 0.299 6.058) 6.763 4.760 ( 2.926 -9.229 -0.712) 9.708 4.857 ( -9.452 -0.440 -2.267) 9.730 4.896 ( -7.212 -4.001 0.790) 8.285 5.065 ( -6.680 3.120 3.700) 8.249 5.157 ( -7.686 -2.286 8.183) 11.457 5.234 ( -2.540 4.393 1.876) 5.410 5.337 ( -2.039 -5.583 1.979) 6.264 5.406 ( 0.690 5.863 0.880) 5.968 5.458 ( -2.255 3.418 -3.497) 5.385 5.596 ( -7.412 6.597 -0.562) 9.939 5.618 ( 7.699 -0.784 0.720) 7.772 5.639 ( -3.111 2.247 2.130) 4.389 5.709 ( 4.000 -5.460 -2.190) 7.114 5.758 ( 1.771 7.526 -3.246) 8.385 5.823 ( 1.708 0.787 1.737) 2.560 5.933 ( -3.548 1.524 -4.358) 5.823 5.996 ( -3.329 -3.341 10.868) 11.847 6.077 ( -2.112 1.065 1.271) 2.686 6.117 ( 0.326 -2.472 -0.031) 2.493 6.143 ( -3.055 3.447 6.219) 7.739 6.160 ( -3.997 0.834 -1.127) 4.236 6.229 ( -7.425 3.933 2.376) 8.732 6.349 ( -7.688 -5.933 1.548) 9.834 6.442 ( -0.563 -1.047 -2.256) 2.550 6.478 ( 2.699 -1.553 0.927) 3.249 6.565 ( -0.121 4.760 -6.850) 8.342 6.655 ( -2.028 -3.305 -5.095) 6.403 6.749 ( 3.779 2.614 -1.650) 4.882 6.765 ( -0.614 1.204 0.083) 1.354 6.866 ( -1.519 4.198 -8.671) 9.753 6.942 ( -1.595 -3.580 -10.172) 10.901 6.972 ( 6.964 0.188 -0.124) 6.967 7.011 ( 7.157 -3.820 -1.733) 8.296 7.047 ( -0.331 1.298 -5.340) 5.506 7.146 ( 2.788 -3.865 -4.828) 6.784 7.191 ( 9.541 2.199 -2.473) 10.099 7.327 ( 10.695 4.721 -0.656) 11.709 7.400 ( 4.431 -2.340 10.487) 11.622 7.448 ( 1.949 -3.551 -0.436) 4.074 7.573 ( -5.952 1.345 4.126) 7.366 7.617 ( -1.843 -2.719 3.390) 4.720 7.732 ( -2.396 1.493 -0.134) 2.826 7.805 ( -6.061 -3.734 0.723) 7.156 7.867 ( -2.302 1.285 4.207) 4.965 7.905 ( -0.879 -3.907 4.576) 6.081 7.982 ( -4.183 2.316 -0.378) 4.797 8.053 ( 5.496 3.527 4.479) 7.919 8.125 ( -0.524 -0.189 -3.446) 3.491 8.260 ( -4.196 -6.459 -2.655) 8.147 8.288 ( 8.364 -0.354 1.988) 8.604 8.415 ( 4.822 -7.330 6.076) 10.672 8.458 ( -0.525 0.683 1.028) 1.341 8.491 ( -1.146 -4.308 -4.978) 6.683 8.673 ( 0.689 2.646 -2.429) 3.657 8.743 ( -1.760 -3.981 -2.018) 4.798 8.819 ( -2.401 5.330 -3.636) 6.884 8.933 ( -4.214 -4.694 -2.955) 6.966 8.978 ( 4.952 -1.493 -0.706) 5.220 9.003 ( 3.041 -5.440 1.795) 6.485 9.107 ( -1.038 5.533 -1.001) 5.718 9.225 ( 1.813 -4.779 -1.776) 5.411 9.399 ( 4.414 8.045 5.040) 10.470 9.529 ( 6.692 -2.275 3.854) 8.050 9.666 ( -1.909 1.147 -4.880) 5.364 9.680 ( 1.351 -0.198 -1.442) 1.986 9.821 ( 1.096 4.563 -0.378) 4.708 9.836 ( -3.667 5.807 8.919) 11.257 9.897 ( 2.623 0.776 0.025) 2.735 9.973 ( -1.299 -6.864 10.523) 12.630 10.229 ( -2.555 6.020 -2.140) 6.881 10.323 ( 1.671 4.422 -5.903) 7.563 10.344 ( -3.672 -2.910 0.728) 4.742 10.390 ( -0.390 -0.263 -3.328) 3.361 10.565 ( -0.310 0.174 -2.757) 2.779 10.624 ( 3.020 -6.149 0.651) 6.881 10.722 ( -10.335 6.115 1.951) 12.166 10.791 ( -5.375 4.225 1.060) 6.918 10.901 ( 1.555 1.493 -0.179) 2.163 10.932 ( 2.811 -1.837 -0.282) 3.370 10.996 ( -1.458 -2.210 -0.966) 2.818 11.106 ( -1.270 -5.128 1.827) 5.590 11.124 ( 5.480 7.386 0.191) 9.199 11.258 ( 2.473 -1.974 1.245) 3.400 11.287 ( -0.308 2.920 -0.724) 3.024 11.321 ( 1.026 -2.601 -2.508) 3.756 11.446 ( -2.157 -0.119 -0.326) 2.185 11.549 ( -0.215 -6.844 -5.439) 8.745 11.735 ( -2.221 2.166 -0.694) 3.178 11.771 ( 0.138 3.111 -0.742) 3.201 11.814 ( -3.875 -2.806 4.079) 6.287 11.921 ( 2.634 -7.501 -0.258) 7.954 12.067 ( -0.713 4.931 1.001) 5.081 12.093 ( 0.638 2.141 -0.740) 2.353 12.221 ( -1.387 1.233 1.017) 2.117 12.248 ( -0.654 -0.087 0.316) 0.731 12.343 ( -1.061 0.954 0.094) 1.430 12.412 ( 1.453 -4.601 0.650) 4.869 13.202 ( -1.494 2.745 0.392) 3.149 13.233 ( 0.215 0.028 -0.164) 0.272 13.371 ( -1.546 -0.149 -1.996) 2.530 13.394 ( -0.323 -1.936 -0.719) 2.090 13.644 ( -0.201 1.877 2.239) 2.929 13.688 ( -0.450 -2.359 2.069) 3.170 13.718 ( 2.293 2.610 -1.649) 3.846 13.753 ( 1.200 -1.173 -1.746) 2.421 13.935 ( -1.461 1.818 -0.091) 2.334 13.940 ( -0.768 1.301 0.158) 1.519 14.078 ( -1.185 1.909 1.616) 2.768 14.093 ( -1.331 0.550 0.204) 1.454 14.440 ( -1.908 0.027 -0.081) 1.910 14.458 ( -0.662 -1.795 -0.475) 1.972 14.558 ( 0.127 1.165 0.808) 1.423 14.579 ( 0.129 -0.826 -0.533) 0.992 15.004 ( 2.241 0.828 -2.107) 3.186 15.025 ( 3.801 -1.307 -0.560) 4.058 15.365 ( 1.050 2.172 3.396) 4.166 15.386 ( -0.844 0.139 -3.109) 3.224 15.698 ( -3.674 3.824 1.508) 5.513 15.750 ( -1.432 -1.615 3.898) 4.456 15.876 ( -7.714 2.679 -1.357) 8.278 15.988 ( -1.866 -7.948 -1.323) 8.271 17.938 ( -0.721 5.549 0.634) 5.631 17.990 ( 0.958 2.891 -0.238) 3.055 18.036 ( -1.241 -1.626 0.355) 2.076 18.067 ( -0.358 -2.965 -0.500) 3.028 18.234 ( 2.885 4.030 -0.422) 4.974 18.297 ( 4.719 -2.663 -1.096) 5.528 18.383 ( 5.343 0.125 -0.576) 5.375 18.428 ( 7.390 -3.213 1.822) 8.262 18.691 ( -3.691 4.322 -0.650) 5.721 18.757 ( -0.091 -1.587 -1.393) 2.114 19.153 ( -3.281 3.597 -0.177) 4.872 19.165 ( -1.719 2.511 2.885) 4.193 21.016 ( -0.030 -0.750 -3.910) 3.981 21.057 ( 3.658 -4.624 -0.077) 5.896 21.634 ( 0.348 2.269 2.852) 3.661 21.694 ( 2.530 -3.711 1.092) 4.623 22.608 ( 3.382 0.232 0.862) 3.498 22.633 ( 3.850 -1.942 -1.774) 4.663 22.772 ( -0.343 2.352 -0.218) 2.387 22.812 ( 1.866 -1.383 0.341) 2.348 22.974 ( -3.240 -0.453 0.203) 3.278 23.011 ( -1.715 -2.091 -0.338) 2.725 23.025 ( -3.168 -0.760 0.136) 3.261 23.054 ( -2.303 -1.724 -0.348) 2.897 ======================= Grid point 92 (50/70) ======================= q-point: (-0.17 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 8.432 3.065 -1.651) 9.123 2.156 ( 9.711 -6.577 -3.495) 12.239 2.363 ( -2.820 3.598 2.304) 5.119 2.432 ( -2.493 0.976 0.543) 2.732 2.598 ( -4.381 6.160 2.395) 7.930 2.640 ( -4.549 4.572 2.148) 6.798 2.805 ( -5.109 6.527 3.459) 8.981 2.829 ( 4.407 1.556 -3.415) 5.788 2.915 ( 1.573 2.599 -2.638) 4.023 2.984 ( 3.553 7.077 0.414) 7.930 3.065 ( 0.443 -9.591 0.783) 9.633 3.158 ( 3.676 -4.934 -7.099) 9.394 3.193 ( 7.175 5.608 -2.466) 9.435 3.254 ( -3.686 3.357 3.362) 6.013 3.333 ( 9.660 -3.659 -3.419) 10.881 3.397 ( -0.256 -2.121 -0.397) 2.173 3.491 ( 3.760 -2.728 1.519) 4.888 3.498 ( 0.866 -6.469 5.568) 8.579 3.551 ( -1.844 -0.090 -2.185) 2.861 3.630 ( 3.205 3.920 0.933) 5.149 3.670 ( 6.321 -10.229 3.583) 12.547 3.749 ( -0.755 -7.393 -0.576) 7.453 3.862 ( 0.254 -0.841 2.202) 2.371 3.901 ( 1.049 -4.510 1.083) 4.756 3.948 ( 0.533 6.934 -3.410) 7.745 4.035 ( 1.967 2.633 -4.027) 5.198 4.099 ( 0.102 1.227 -0.573) 1.358 4.156 ( -4.153 -4.198 2.478) 6.405 4.214 ( 0.245 2.121 0.183) 2.143 4.295 ( 5.912 -2.734 -0.866) 6.571 4.408 ( 3.180 2.466 3.728) 5.485 4.505 ( -6.479 -2.227 -1.347) 6.982 4.536 ( -1.441 2.920 -4.604) 5.639 4.579 ( -7.041 -3.821 -0.885) 8.060 4.586 ( 2.813 -2.323 1.451) 3.926 4.654 ( -3.080 -6.523 -2.499) 7.634 4.802 ( 5.906 7.022 1.979) 9.387 4.964 ( -2.734 4.370 11.231) 12.357 5.070 ( 2.507 -5.301 0.488) 5.884 5.127 ( -4.417 -6.583 9.537) 12.401 5.214 ( -3.161 4.264 -1.403) 5.490 5.346 ( 0.380 3.962 -7.534) 8.521 5.366 ( -0.734 -5.072 0.166) 5.128 5.391 ( -2.034 -2.239 3.853) 4.899 5.537 ( -8.331 0.559 0.550) 8.368 5.555 ( -2.992 0.541 -0.568) 3.093 5.645 ( -5.187 0.256 2.987) 5.991 5.667 ( 0.283 2.886 -10.923) 11.301 5.709 ( -3.895 -1.844 5.864) 7.277 5.793 ( -4.787 -5.972 -5.685) 9.534 5.893 ( -2.304 6.637 -2.352) 7.409 5.969 ( -3.756 5.055 -2.735) 6.866 6.032 ( -0.503 -1.165 -0.600) 1.404 6.056 ( -0.628 1.209 5.605) 5.769 6.093 ( -4.886 -7.167 -4.120) 9.603 6.146 ( 0.054 -1.431 4.238) 4.474 6.273 ( -1.341 -0.983 2.938) 3.376 6.293 ( -5.180 -2.880 3.428) 6.847 6.415 ( 2.057 4.897 -6.683) 8.537 6.513 ( 4.759 3.359 -1.442) 6.001 6.558 ( 1.762 1.537 -3.795) 4.457 6.585 ( 4.551 -1.146 -2.200) 5.183 6.698 ( 0.112 -0.080 -6.156) 6.158 6.714 ( 2.147 -1.293 0.262) 2.520 6.820 ( 1.391 0.431 1.184) 1.877 6.844 ( 0.231 -1.517 -1.632) 2.240 6.981 ( -1.419 2.688 3.160) 4.385 7.031 ( -0.273 0.313 0.715) 0.827 7.118 ( 7.897 0.565 -2.927) 8.441 7.214 ( 5.863 -5.134 -0.168) 7.795 7.316 ( 5.552 2.672 -1.671) 6.384 7.414 ( 0.276 -0.023 -2.063) 2.082 7.498 ( -1.836 -0.475 0.611) 1.993 7.500 ( 0.139 -0.742 -0.796) 1.097 7.587 ( 2.284 0.441 4.961) 5.480 7.596 ( -0.868 -1.587 2.169) 2.825 7.709 ( -0.842 -0.144 -2.125) 2.291 7.761 ( 0.379 -5.700 -1.069) 5.812 7.810 ( -10.723 -0.382 1.416) 10.823 7.876 ( -4.007 -7.489 0.606) 8.515 7.967 ( 1.965 11.013 0.448) 11.196 8.148 ( -1.556 -6.165 2.170) 6.719 8.194 ( 6.462 5.195 2.929) 8.794 8.282 ( 4.523 1.123 4.295) 6.338 8.358 ( -3.876 -0.243 0.039) 3.883 8.419 ( -1.409 3.540 0.103) 3.812 8.471 ( -2.582 -2.225 5.089) 6.125 8.555 ( 4.682 -5.910 -1.133) 7.625 8.625 ( 3.611 2.940 -1.630) 4.934 8.731 ( 3.541 -6.776 -1.731) 7.839 8.823 ( 1.929 -2.096 -0.843) 2.971 8.829 ( -1.116 -1.892 -2.607) 3.409 9.014 ( -2.775 -2.903 2.373) 4.665 9.035 ( 0.342 -2.946 0.860) 3.088 9.154 ( 4.348 5.580 2.179) 7.402 9.282 ( 3.759 -6.193 2.358) 7.618 9.489 ( -0.104 7.830 0.721) 7.864 9.514 ( -5.283 4.894 -7.312) 10.262 9.645 ( -1.396 -0.337 -2.426) 2.819 9.696 ( 4.975 -3.864 0.719) 6.340 9.817 ( 3.430 7.786 -3.024) 9.030 9.877 ( 2.395 5.559 4.057) 7.287 9.976 ( 3.447 -4.092 0.690) 5.395 10.053 ( -1.613 -7.072 2.848) 7.793 10.178 ( -2.181 4.723 4.461) 6.853 10.272 ( -1.715 2.827 -0.242) 3.315 10.328 ( 1.766 -1.435 -2.038) 3.054 10.360 ( 2.208 -0.481 -3.084) 3.824 10.500 ( -3.995 2.448 -1.305) 4.864 10.587 ( -8.473 6.937 1.904) 11.115 10.612 ( -3.949 -5.768 -0.530) 7.011 10.735 ( -3.758 -1.997 1.113) 4.398 10.881 ( -0.420 -1.289 -1.605) 2.101 10.952 ( 4.049 -1.328 -1.494) 4.516 11.053 ( 4.863 7.075 -0.494) 8.599 11.100 ( -1.562 4.648 0.427) 4.922 11.197 ( 0.404 3.253 -0.935) 3.409 11.239 ( 0.203 -0.956 -3.839) 3.961 11.301 ( 3.422 -5.040 1.171) 6.203 11.344 ( 1.867 -2.742 0.624) 3.375 11.394 ( -4.230 -1.792 2.776) 5.367 11.480 ( -2.156 -7.204 -2.404) 7.895 11.702 ( -2.020 1.663 -0.565) 2.677 11.744 ( -5.319 0.385 1.420) 5.519 11.791 ( 1.151 7.536 0.212) 7.627 11.969 ( 2.621 -3.726 -0.269) 4.563 12.087 ( -0.285 -0.682 1.827) 1.971 12.091 ( 0.851 -1.584 -0.741) 1.945 12.193 ( -1.962 2.212 -0.100) 2.958 12.242 ( 1.315 0.129 -2.365) 2.709 12.335 ( -0.285 1.179 0.791) 1.448 12.434 ( -0.762 -7.299 1.226) 7.441 13.196 ( -1.172 3.823 2.260) 4.593 13.253 ( 0.933 -1.439 1.613) 2.354 13.317 ( -1.837 1.520 -0.945) 2.565 13.370 ( -1.653 -3.281 -0.024) 3.674 13.661 ( -0.285 2.028 0.612) 2.138 13.694 ( 0.235 -0.890 -1.523) 1.779 13.748 ( 1.788 0.583 0.059) 1.881 13.761 ( 2.101 -0.722 -2.004) 2.992 13.914 ( -1.354 2.862 0.657) 3.233 13.937 ( -0.583 0.526 1.185) 1.421 14.054 ( -1.926 1.703 -1.136) 2.811 14.062 ( -1.646 0.933 -0.403) 1.934 14.412 ( -1.241 1.661 0.958) 2.284 14.452 ( -0.401 -2.296 1.228) 2.635 14.562 ( 0.026 1.100 -0.344) 1.153 14.569 ( -0.203 0.458 -0.774) 0.922 15.027 ( 2.485 2.035 -0.152) 3.216 15.086 ( 3.833 -3.699 0.063) 5.327 15.329 ( 0.923 5.446 -3.367) 6.469 15.388 ( 0.702 0.401 -0.309) 0.865 15.647 ( -3.421 3.971 -1.234) 5.385 15.697 ( -6.049 3.205 0.630) 6.875 15.823 ( -1.228 -4.938 1.996) 5.466 15.923 ( -5.861 -11.420 0.771) 12.859 17.945 ( 0.048 4.784 1.368) 4.976 18.001 ( -2.089 -0.715 0.845) 2.364 18.023 ( 1.736 3.319 -0.299) 3.757 18.065 ( -0.018 -0.128 -0.269) 0.299 18.311 ( 7.286 5.500 -0.981) 9.181 18.393 ( 6.657 -2.124 -0.104) 6.988 18.470 ( 3.874 0.066 -0.507) 3.908 18.557 ( 2.974 -6.486 0.573) 7.158 18.617 ( -2.755 6.841 1.043) 7.448 18.724 ( -2.327 -3.254 -0.651) 4.053 19.074 ( -2.284 5.061 -2.027) 5.911 19.144 ( -2.797 -1.389 -0.142) 3.126 21.019 ( 1.044 3.943 2.476) 4.772 21.137 ( 2.100 -7.220 3.706) 8.383 21.653 ( 1.364 2.586 -2.085) 3.591 21.720 ( 2.003 -4.083 -3.389) 5.672 22.689 ( 5.544 2.306 -0.182) 6.007 22.723 ( 6.219 -0.754 1.063) 6.354 22.786 ( 2.235 0.950 0.583) 2.497 22.836 ( 0.679 -2.418 -0.536) 2.568 22.914 ( -4.185 1.165 0.763) 4.410 22.936 ( -4.813 1.252 -0.669) 5.018 22.978 ( -5.513 -2.609 -0.758) 6.146 22.993 ( -1.953 -6.132 0.525) 6.457 ======================= Grid point 117 (51/70) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 1.068 0.000 -33.055) 33.072 1.300 ( -1.068 0.000 33.055) 33.072 1.411 ( -7.222 0.000 -36.469) 37.177 1.411 ( 7.222 0.000 36.469) 37.177 2.341 ( 2.106 0.000 -42.044) 42.097 2.341 ( -2.106 0.000 42.044) 42.097 2.601 ( -0.264 0.000 -2.380) 2.395 2.601 ( 0.264 0.000 2.380) 2.395 2.820 ( -4.799 0.000 1.345) 4.984 2.820 ( 4.799 0.000 -1.345) 4.984 2.883 ( 0.987 0.000 -11.526) 11.568 2.883 ( -0.987 0.000 11.526) 11.568 3.078 ( 5.145 0.000 -2.974) 5.943 3.078 ( -5.145 0.000 2.974) 5.943 3.313 ( -6.834 0.000 -4.426) 8.142 3.313 ( 6.834 0.000 4.426) 8.142 3.488 ( -6.230 0.000 -0.757) 6.276 3.488 ( 6.230 0.000 0.757) 6.276 3.654 ( -1.236 0.000 -8.652) 8.740 3.654 ( 1.236 0.000 8.652) 8.740 3.824 ( -6.578 0.000 -1.788) 6.816 3.824 ( 6.578 0.000 1.788) 6.816 3.853 ( -2.043 0.000 -4.648) 5.077 3.853 ( 2.043 0.000 4.648) 5.077 4.086 ( 0.814 0.000 -3.791) 3.877 4.086 ( -0.814 0.000 3.791) 3.877 4.226 ( -3.524 0.000 -0.791) 3.612 4.226 ( 3.524 0.000 0.791) 3.612 4.411 ( 3.809 0.000 -3.647) 5.273 4.411 ( -3.809 0.000 3.647) 5.273 4.706 ( -1.337 0.000 0.205) 1.353 4.706 ( 1.337 0.000 -0.205) 1.353 4.779 ( -2.102 0.000 -5.519) 5.906 4.779 ( 2.102 0.000 5.519) 5.906 4.863 ( -13.929 0.000 -5.573) 15.002 4.863 ( 13.929 0.000 5.573) 15.002 5.031 ( -5.404 0.000 1.208) 5.537 5.031 ( 5.404 0.000 -1.208) 5.537 5.195 ( -3.034 0.000 -1.449) 3.362 5.195 ( 3.034 0.000 1.449) 3.362 5.310 ( -7.504 0.000 -3.828) 8.424 5.310 ( 7.504 0.000 3.828) 8.424 5.415 ( 3.439 0.000 -5.759) 6.708 5.415 ( -3.439 0.000 5.759) 6.708 5.637 ( 0.307 0.000 -3.313) 3.327 5.637 ( -0.307 0.000 3.313) 3.327 5.787 ( 3.855 0.000 -1.502) 4.137 5.787 ( -3.855 0.000 1.502) 4.137 5.852 ( -5.868 0.000 -3.449) 6.807 5.852 ( 5.868 0.000 3.449) 6.807 6.008 ( -6.705 0.000 -8.947) 11.180 6.008 ( 6.705 0.000 8.947) 11.180 6.117 ( 0.089 0.000 -1.560) 1.563 6.117 ( -0.089 0.000 1.560) 1.563 6.185 ( 10.172 0.000 -11.748) 15.540 6.185 ( -10.172 0.000 11.748) 15.540 6.431 ( 4.976 0.000 -5.976) 7.776 6.431 ( -4.976 0.000 5.976) 7.776 6.544 ( -4.290 0.000 -1.456) 4.531 6.544 ( 4.290 0.000 1.456) 4.531 6.589 ( -1.668 0.000 -2.355) 2.886 6.589 ( 1.668 0.000 2.355) 2.886 6.703 ( 9.943 0.000 -6.639) 11.956 6.703 ( -9.943 0.000 6.639) 11.956 6.915 ( -1.714 0.000 -0.731) 1.864 6.915 ( 1.714 0.000 0.731) 1.864 7.062 ( 2.930 0.000 -10.759) 11.150 7.062 ( -2.930 0.000 10.759) 11.150 7.123 ( -6.233 0.000 -3.114) 6.968 7.123 ( 6.233 0.000 3.114) 6.968 7.277 ( 0.370 0.000 -3.494) 3.514 7.277 ( -0.370 0.000 3.494) 3.514 7.625 ( -7.347 0.000 -10.372) 12.710 7.625 ( 7.347 0.000 10.372) 12.710 7.817 ( -5.597 0.000 -0.072) 5.597 7.817 ( 5.597 0.000 0.072) 5.597 7.935 ( -18.091 0.000 1.188) 18.130 7.935 ( 18.091 0.000 -1.188) 18.130 8.023 ( -4.708 0.000 -4.821) 6.738 8.023 ( 4.708 0.000 4.821) 6.738 8.169 ( 1.687 0.000 -9.955) 10.096 8.169 ( -1.687 0.000 9.955) 10.096 8.221 ( 1.429 0.000 -1.658) 2.188 8.221 ( -1.429 0.000 1.658) 2.188 8.319 ( 2.239 0.000 -2.525) 3.375 8.319 ( -2.239 0.000 2.525) 3.375 8.554 ( 3.236 0.000 -1.438) 3.541 8.554 ( -3.236 0.000 1.438) 3.541 8.696 ( -2.148 0.000 -0.797) 2.291 8.696 ( 2.148 0.000 0.797) 2.291 8.780 ( -6.309 0.000 1.848) 6.574 8.780 ( 6.309 0.000 -1.848) 6.574 8.912 ( 0.384 0.000 -3.206) 3.229 8.912 ( -0.384 0.000 3.206) 3.229 9.109 ( -0.742 0.000 -3.832) 3.903 9.109 ( 0.742 0.000 3.832) 3.903 9.262 ( -0.804 0.000 -4.572) 4.642 9.262 ( 0.804 0.000 4.572) 4.642 9.476 ( -0.184 0.000 -2.993) 2.999 9.476 ( 0.184 0.000 2.993) 2.999 9.693 ( -3.173 0.000 -1.181) 3.385 9.693 ( 3.173 0.000 1.181) 3.385 9.714 ( -4.695 0.000 -1.545) 4.943 9.714 ( 4.695 0.000 1.545) 4.943 9.935 ( -0.027 0.000 -7.550) 7.550 9.935 ( 0.027 0.000 7.550) 7.550 10.166 ( 1.142 0.000 -12.253) 12.306 10.166 ( -1.142 0.000 12.253) 12.306 10.405 ( 0.102 0.000 -3.200) 3.202 10.405 ( -0.102 0.000 3.200) 3.202 10.537 ( -8.010 0.000 -9.585) 12.491 10.537 ( 8.010 0.000 9.585) 12.491 10.851 ( -1.613 0.000 -2.349) 2.849 10.851 ( 1.613 0.000 2.349) 2.849 11.213 ( -5.944 0.000 -9.055) 10.832 11.213 ( 5.944 0.000 9.055) 10.832 11.261 ( -2.050 0.000 -2.249) 3.043 11.261 ( 2.050 0.000 2.249) 3.043 11.515 ( 2.299 0.000 -7.885) 8.214 11.515 ( -2.299 0.000 7.885) 8.214 11.758 ( -5.218 0.000 1.737) 5.500 11.758 ( 5.218 0.000 -1.737) 5.500 11.863 ( -0.295 0.000 -1.143) 1.180 11.863 ( 0.295 0.000 1.143) 1.180 11.985 ( -1.215 0.000 -2.792) 3.045 11.985 ( 1.215 0.000 2.792) 3.045 12.278 ( -2.138 0.000 -1.704) 2.734 12.278 ( 2.138 0.000 1.704) 2.734 12.488 ( -7.987 0.000 -0.757) 8.023 12.488 ( 7.987 0.000 0.757) 8.023 12.832 ( -3.054 0.000 -0.485) 3.092 12.832 ( 3.054 0.000 0.485) 3.092 12.872 ( -0.651 0.000 -0.570) 0.865 12.872 ( 0.651 0.000 0.570) 0.865 13.064 ( 0.144 0.000 -4.214) 4.217 13.064 ( -0.144 0.000 4.214) 4.217 13.285 ( 1.290 0.000 -2.000) 2.380 13.285 ( -1.290 0.000 2.000) 2.380 13.488 ( 1.466 0.000 -1.972) 2.457 13.488 ( -1.466 0.000 1.972) 2.457 13.641 ( 0.550 0.000 -0.611) 0.822 13.641 ( -0.550 0.000 0.611) 0.822 13.787 ( -0.831 0.000 -0.398) 0.921 13.787 ( 0.831 0.000 0.398) 0.921 14.397 ( -0.784 0.000 -2.621) 2.736 14.397 ( 0.784 0.000 2.621) 2.736 14.536 ( 2.013 0.000 -3.781) 4.283 14.536 ( -2.013 0.000 3.781) 4.283 14.845 ( -0.893 0.000 -0.872) 1.248 14.845 ( 0.893 0.000 0.872) 1.248 15.392 ( -3.847 0.000 0.187) 3.851 15.392 ( 3.847 0.000 -0.187) 3.851 15.518 ( 0.166 0.000 -3.696) 3.700 15.518 ( -0.166 0.000 3.696) 3.700 17.608 ( 2.802 0.000 -2.349) 3.656 17.608 ( -2.802 0.000 2.349) 3.656 17.770 ( -3.579 0.000 0.413) 3.603 17.770 ( 3.579 0.000 -0.413) 3.603 17.942 ( -5.003 0.000 -2.291) 5.503 17.942 ( 5.003 0.000 2.291) 5.503 18.150 ( 0.799 0.000 -1.816) 1.984 18.150 ( -0.799 0.000 1.816) 1.984 18.317 ( -3.282 0.000 0.307) 3.297 18.317 ( 3.282 0.000 -0.307) 3.297 18.609 ( -0.384 0.000 -0.375) 0.537 18.609 ( 0.384 0.000 0.375) 0.537 19.147 ( -4.901 0.000 -3.310) 5.914 19.147 ( 4.901 0.000 3.310) 5.914 20.983 ( 0.792 0.000 -4.876) 4.940 20.983 ( -0.792 0.000 4.876) 4.940 21.236 ( -1.325 0.000 -13.143) 13.209 21.236 ( 1.325 0.000 13.143) 13.209 22.776 ( -0.882 0.000 -0.542) 1.035 22.776 ( 0.882 0.000 0.542) 1.035 22.881 ( -0.261 0.000 -0.534) 0.594 22.881 ( 0.261 0.000 0.534) 0.594 23.156 ( 3.169 0.000 -1.579) 3.541 23.156 ( -3.169 0.000 1.579) 3.541 23.390 ( 5.989 0.000 -2.391) 6.448 23.390 ( -5.989 0.000 2.391) 6.448 ======================= Grid point 119 (52/70) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 18.095 0.000 -27.457) 32.884 1.110 ( 20.748 0.000 -29.257) 35.867 1.726 ( 7.757 0.000 26.656) 27.761 1.929 ( 7.316 0.000 30.868) 31.723 2.052 ( 31.971 0.000 -49.255) 58.721 2.486 ( -17.950 0.000 3.056) 18.208 2.501 ( -1.965 0.000 -1.943) 2.764 2.634 ( -9.736 0.000 -8.649) 13.023 2.763 ( -2.069 0.000 -3.910) 4.423 2.766 ( 3.416 0.000 1.631) 3.785 2.844 ( 6.708 0.000 -15.980) 17.331 2.937 ( -8.579 0.000 12.632) 15.270 2.974 ( -3.289 0.000 -1.438) 3.590 3.094 ( -1.162 0.000 5.970) 6.082 3.334 ( -6.875 0.000 0.145) 6.877 3.338 ( -4.337 0.000 15.862) 16.444 3.477 ( 2.030 0.000 7.053) 7.339 3.604 ( -3.277 0.000 5.289) 6.222 3.711 ( 7.787 0.000 0.224) 7.790 3.749 ( -2.105 0.000 2.875) 3.564 3.796 ( -2.013 0.000 -0.168) 2.020 3.872 ( 7.414 0.000 13.054) 15.012 3.935 ( -6.199 0.000 6.177) 8.751 3.935 ( 4.559 0.000 -0.219) 4.564 4.125 ( -1.296 0.000 0.178) 1.308 4.127 ( -1.259 0.000 3.707) 3.915 4.246 ( 7.080 0.000 2.945) 7.668 4.283 ( 6.496 0.000 0.792) 6.544 4.421 ( -7.770 0.000 8.864) 11.787 4.484 ( 5.153 0.000 -0.027) 5.153 4.571 ( 4.928 0.000 -5.769) 7.587 4.582 ( -3.565 0.000 -5.552) 6.598 4.733 ( -4.163 0.000 2.401) 4.806 4.868 ( -0.729 0.000 6.131) 6.174 4.869 ( -0.815 0.000 5.233) 5.296 5.012 ( 1.264 0.000 -9.446) 9.531 5.043 ( 6.685 0.000 -1.439) 6.838 5.095 ( 4.180 0.000 -5.638) 7.018 5.212 ( 3.726 0.000 -3.978) 5.450 5.238 ( -0.004 0.000 3.682) 3.682 5.291 ( 9.678 0.000 -4.128) 10.521 5.409 ( 8.946 0.000 16.539) 18.803 5.480 ( -1.754 0.000 2.895) 3.385 5.533 ( 3.497 0.000 -6.040) 6.979 5.570 ( -3.360 0.000 -0.878) 3.473 5.608 ( 1.354 0.000 -0.148) 1.362 5.718 ( -7.831 0.000 -0.157) 7.833 5.757 ( -1.424 0.000 4.061) 4.303 5.772 ( 0.303 0.000 2.276) 2.296 5.859 ( 1.605 0.000 -9.007) 9.149 5.971 ( -0.225 0.000 10.074) 10.076 6.098 ( 0.028 0.000 -1.004) 1.004 6.117 ( -1.174 0.000 -7.199) 7.294 6.139 ( 0.041 0.000 -0.880) 0.881 6.183 ( 0.454 0.000 -2.610) 2.649 6.219 ( 3.983 0.000 -1.058) 4.121 6.288 ( -28.535 0.000 -5.062) 28.980 6.351 ( -2.914 0.000 1.799) 3.424 6.401 ( -8.720 0.000 -1.846) 8.913 6.403 ( 2.359 0.000 2.236) 3.250 6.543 ( 2.069 0.000 1.281) 2.433 6.614 ( 2.680 0.000 3.084) 4.085 6.781 ( 3.051 0.000 4.509) 5.444 6.825 ( -1.458 0.000 -1.822) 2.334 6.935 ( 0.953 0.000 6.187) 6.260 6.936 ( 7.070 0.000 -11.620) 13.602 7.039 ( 0.010 0.000 -0.440) 0.440 7.066 ( 1.723 0.000 -9.533) 9.687 7.103 ( -3.895 0.000 -0.463) 3.922 7.174 ( -6.181 0.000 4.849) 7.856 7.278 ( 7.076 0.000 -6.356) 9.512 7.511 ( -3.644 0.000 13.064) 13.563 7.537 ( -0.226 0.000 8.393) 8.396 7.557 ( -9.401 0.000 6.384) 11.363 7.753 ( -1.602 0.000 0.556) 1.696 7.808 ( -9.216 0.000 -5.179) 10.572 7.886 ( 0.348 0.000 -3.776) 3.792 7.899 ( 10.170 0.000 6.026) 11.821 8.036 ( -2.678 0.000 -3.348) 4.288 8.087 ( 0.613 0.000 -6.455) 6.484 8.112 ( -0.410 0.000 3.055) 3.082 8.130 ( 8.118 0.000 -9.207) 12.275 8.282 ( 1.350 0.000 4.987) 5.167 8.325 ( -3.563 0.000 5.997) 6.976 8.365 ( 3.516 0.000 1.085) 3.680 8.419 ( 1.360 0.000 6.122) 6.271 8.570 ( 11.727 0.000 3.825) 12.335 8.599 ( 0.916 0.000 4.847) 4.933 8.732 ( -4.491 0.000 7.357) 8.619 8.764 ( 9.556 0.000 -1.110) 9.620 8.856 ( 1.346 0.000 -1.713) 2.178 8.861 ( 12.512 0.000 -0.613) 12.527 8.915 ( 4.590 0.000 -4.556) 6.468 8.993 ( 0.657 0.000 1.856) 1.969 9.080 ( 11.514 0.000 1.740) 11.645 9.100 ( -2.186 0.000 0.696) 2.294 9.273 ( 7.701 0.000 -4.009) 8.682 9.326 ( 1.973 0.000 -1.162) 2.290 9.486 ( 2.050 0.000 -0.843) 2.217 9.549 ( 2.284 0.000 3.351) 4.055 9.613 ( -2.881 0.000 -1.098) 3.083 9.651 ( -2.180 0.000 7.462) 7.774 9.729 ( 1.004 0.000 -2.111) 2.338 9.801 ( 4.366 0.000 -2.670) 5.118 9.847 ( 0.538 0.000 -4.945) 4.974 10.038 ( 3.271 0.000 6.139) 6.956 10.107 ( 8.416 0.000 -10.518) 13.471 10.209 ( -13.525 0.000 -10.998) 17.432 10.269 ( -1.535 0.000 7.264) 7.424 10.388 ( 3.317 0.000 -4.876) 5.897 10.438 ( 0.422 0.000 0.731) 0.844 10.659 ( 1.721 0.000 -0.561) 1.810 10.811 ( -5.666 0.000 4.340) 7.137 10.837 ( -7.721 0.000 1.193) 7.813 11.011 ( -9.424 0.000 -3.325) 9.993 11.115 ( -6.060 0.000 -2.716) 6.641 11.240 ( -3.246 0.000 2.404) 4.039 11.391 ( 2.100 0.000 7.842) 8.118 11.504 ( 0.835 0.000 -1.307) 1.551 11.539 ( -6.924 0.000 3.793) 7.895 11.602 ( -8.175 0.000 -5.172) 9.674 11.723 ( -1.012 0.000 -9.059) 9.116 11.856 ( -1.750 0.000 0.418) 1.800 11.904 ( 1.223 0.000 2.110) 2.439 12.062 ( 11.261 0.000 3.639) 11.835 12.103 ( 9.422 0.000 0.491) 9.434 12.196 ( -6.090 0.000 -2.904) 6.747 12.325 ( 1.073 0.000 0.639) 1.249 12.372 ( 1.147 0.000 -2.321) 2.589 12.539 ( -1.999 0.000 -0.916) 2.198 12.781 ( -4.949 0.000 1.530) 5.180 12.828 ( 4.273 0.000 0.889) 4.364 12.896 ( 1.878 0.000 -1.492) 2.399 13.038 ( 3.191 0.000 -2.203) 3.878 13.069 ( 9.152 0.000 2.812) 9.575 13.145 ( 3.998 0.000 1.499) 4.270 13.282 ( 0.765 0.000 0.060) 0.767 13.316 ( 3.779 0.000 3.130) 4.907 13.473 ( -0.431 0.000 -4.867) 4.886 13.497 ( 0.321 0.000 1.219) 1.261 13.589 ( -5.264 0.000 1.000) 5.358 13.595 ( -1.763 0.000 -1.983) 2.654 13.794 ( 0.805 0.000 0.741) 1.094 13.801 ( -1.054 0.000 0.905) 1.389 14.467 ( 6.569 0.000 -0.236) 6.573 14.494 ( 6.406 0.000 0.014) 6.406 14.581 ( 2.506 0.000 3.517) 4.318 14.656 ( 15.703 0.000 9.191) 18.195 14.823 ( -0.089 0.000 -0.391) 0.401 14.874 ( 1.467 0.000 1.010) 1.781 15.338 ( -3.067 0.000 0.848) 3.182 15.448 ( 0.909 0.000 1.309) 1.593 15.516 ( 6.164 0.000 -5.812) 8.472 15.608 ( 6.076 0.000 4.516) 7.571 17.002 ( -46.676 0.000 -21.436) 51.363 17.285 ( -28.515 0.000 -0.019) 28.515 17.766 ( -2.360 0.000 2.468) 3.414 17.825 ( 1.677 0.000 -1.857) 2.503 17.974 ( 7.464 0.000 -0.436) 7.476 18.044 ( 2.937 0.000 0.885) 3.068 18.139 ( 0.694 0.000 -3.305) 3.377 18.139 ( -1.457 0.000 -1.019) 1.778 18.286 ( -1.184 0.000 3.422) 3.621 18.337 ( 1.180 0.000 -2.515) 2.778 18.610 ( 1.325 0.000 -0.290) 1.356 18.623 ( 0.801 0.000 0.519) 0.955 19.003 ( -7.603 0.000 -0.386) 7.613 19.128 ( -10.337 0.000 3.043) 10.775 21.069 ( 11.505 0.000 -7.119) 13.529 21.128 ( 4.030 0.000 -9.602) 10.413 21.378 ( 24.276 0.000 21.560) 32.468 21.454 ( 7.193 0.000 10.605) 12.815 22.729 ( -5.020 0.000 -1.800) 5.333 22.748 ( 0.061 0.000 -1.159) 1.161 22.889 ( 1.265 0.000 -0.685) 1.439 22.935 ( 4.957 0.000 -0.561) 4.989 23.093 ( -5.258 0.000 0.901) 5.335 23.140 ( -4.324 0.000 -1.610) 4.613 23.266 ( -3.687 0.000 -4.194) 5.584 23.405 ( -0.351 0.000 -2.164) 2.193 ======================= Grid point 120 (53/70) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 31.030 0.000 -16.245) 35.025 1.397 ( 35.769 0.000 -8.345) 36.730 1.997 ( -10.578 0.000 9.750) 14.386 2.228 ( -8.111 0.000 4.399) 9.227 2.261 ( 5.906 0.000 -7.316) 9.403 2.332 ( -13.924 0.000 1.514) 14.006 2.349 ( 26.716 0.000 -2.684) 26.851 2.477 ( 5.509 0.000 0.938) 5.588 2.663 ( -0.918 0.000 -8.983) 9.030 2.718 ( 9.537 0.000 -6.093) 11.317 2.722 ( -6.891 0.000 1.406) 7.032 2.891 ( -1.351 0.000 1.012) 1.687 3.069 ( 8.463 0.000 7.193) 11.107 3.159 ( 1.826 0.000 0.031) 1.827 3.258 ( -0.878 0.000 0.473) 0.998 3.380 ( -0.373 0.000 0.362) 0.520 3.481 ( -10.751 0.000 -4.225) 11.551 3.519 ( -6.504 0.000 3.816) 7.540 3.679 ( -7.540 0.000 -1.001) 7.606 3.769 ( -4.653 0.000 2.785) 5.423 3.862 ( 2.539 0.000 -1.080) 2.759 3.869 ( 1.896 0.000 6.441) 6.714 3.981 ( 2.365 0.000 5.733) 6.202 4.081 ( 0.715 0.000 3.238) 3.316 4.213 ( 2.765 0.000 0.391) 2.793 4.236 ( -2.479 0.000 4.089) 4.782 4.287 ( 0.314 0.000 -4.065) 4.077 4.314 ( -3.547 0.000 6.833) 7.698 4.390 ( -3.355 0.000 9.706) 10.270 4.481 ( -10.516 0.000 -4.263) 11.347 4.511 ( -2.271 0.000 -4.265) 4.832 4.539 ( -0.139 0.000 -3.925) 3.928 4.701 ( 4.331 0.000 0.917) 4.427 4.801 ( -4.985 0.000 -4.135) 6.477 4.936 ( -3.470 0.000 5.851) 6.803 5.088 ( 1.501 0.000 2.007) 2.506 5.093 ( 4.478 0.000 -3.698) 5.807 5.198 ( 11.383 0.000 10.652) 15.590 5.205 ( -6.201 0.000 -3.565) 7.153 5.246 ( 1.082 0.000 -6.382) 6.473 5.282 ( 3.742 0.000 -6.739) 7.708 5.412 ( 3.333 0.000 -10.638) 11.148 5.433 ( 0.887 0.000 3.882) 3.982 5.557 ( -4.012 0.000 3.673) 5.439 5.584 ( -4.574 0.000 -5.448) 7.113 5.628 ( 4.106 0.000 2.289) 4.701 5.745 ( 4.343 0.000 0.628) 4.388 5.762 ( -3.002 0.000 3.581) 4.673 5.860 ( -1.404 0.000 5.407) 5.587 5.876 ( -3.607 0.000 6.912) 7.796 5.915 ( -11.877 0.000 1.390) 11.958 5.978 ( -2.225 0.000 13.900) 14.077 6.028 ( -1.822 0.000 -4.175) 4.555 6.049 ( 11.598 0.000 -11.294) 16.189 6.095 ( -4.936 0.000 -1.125) 5.063 6.190 ( -4.386 0.000 9.549) 10.508 6.265 ( 3.691 0.000 -4.942) 6.168 6.393 ( 8.704 0.000 7.370) 11.405 6.433 ( 3.491 0.000 5.109) 6.188 6.493 ( 6.395 0.000 -2.909) 7.025 6.614 ( 3.555 0.000 -5.200) 6.299 6.653 ( -8.035 0.000 -7.709) 11.135 6.770 ( 2.773 0.000 10.568) 10.926 6.806 ( 1.350 0.000 -13.726) 13.792 6.853 ( 3.087 0.000 -3.992) 5.046 6.893 ( -11.666 0.000 3.328) 12.131 6.927 ( 4.390 0.000 -9.778) 10.718 7.019 ( -11.651 0.000 -2.695) 11.958 7.107 ( 0.070 0.000 3.570) 3.571 7.144 ( 4.006 0.000 3.469) 5.299 7.304 ( -10.848 0.000 5.942) 12.369 7.363 ( 7.339 0.000 -2.447) 7.736 7.489 ( -14.938 0.000 -8.529) 17.202 7.502 ( -9.864 0.000 3.160) 10.358 7.655 ( -0.717 0.000 6.127) 6.169 7.730 ( -4.394 0.000 -4.532) 6.312 7.860 ( 3.738 0.000 -1.826) 4.160 7.893 ( -2.540 0.000 1.998) 3.232 7.983 ( 1.867 0.000 -1.293) 2.271 8.115 ( -6.962 0.000 0.357) 6.971 8.121 ( 5.172 0.000 -7.788) 9.349 8.158 ( -0.787 0.000 6.028) 6.079 8.292 ( -3.223 0.000 -4.669) 5.674 8.328 ( -1.449 0.000 0.984) 1.752 8.464 ( 5.480 0.000 3.252) 6.372 8.607 ( 6.841 0.000 9.742) 11.904 8.644 ( -0.631 0.000 3.145) 3.208 8.701 ( 3.419 0.000 -5.595) 6.557 8.756 ( -3.211 0.000 7.161) 7.848 8.795 ( -2.485 0.000 -3.177) 4.033 8.873 ( -3.369 0.000 -2.514) 4.204 8.926 ( 1.811 0.000 -1.583) 2.405 8.985 ( 3.594 0.000 -2.898) 4.617 9.015 ( 4.567 0.000 -1.610) 4.842 9.157 ( 4.112 0.000 5.677) 7.010 9.313 ( 9.381 0.000 0.386) 9.389 9.335 ( 4.760 0.000 -5.897) 7.578 9.384 ( 8.942 0.000 -1.365) 9.046 9.515 ( 3.066 0.000 3.501) 4.654 9.614 ( -0.379 0.000 4.530) 4.546 9.678 ( -0.355 0.000 -7.499) 7.508 9.726 ( -0.237 0.000 -0.720) 0.758 9.738 ( 4.516 0.000 -1.256) 4.688 9.801 ( 2.259 0.000 -1.885) 2.942 9.922 ( 6.145 0.000 1.120) 6.246 9.993 ( 3.355 0.000 8.432) 9.075 10.128 ( 0.162 0.000 -0.650) 0.670 10.239 ( 3.598 0.000 8.435) 9.170 10.239 ( -4.737 0.000 -2.608) 5.407 10.409 ( 4.547 0.000 -3.615) 5.809 10.420 ( -3.726 0.000 3.312) 4.985 10.622 ( -6.545 0.000 -4.830) 8.134 10.674 ( -7.650 0.000 -0.677) 7.680 10.696 ( -4.865 0.000 -0.407) 4.882 10.924 ( 2.129 0.000 3.433) 4.040 11.093 ( 0.873 0.000 4.997) 5.073 11.208 ( -3.598 0.000 0.849) 3.697 11.357 ( -10.155 0.000 -3.543) 10.755 11.381 ( -10.771 0.000 1.435) 10.867 11.479 ( -2.314 0.000 -1.796) 2.929 11.555 ( 4.108 0.000 -1.980) 4.561 11.589 ( 1.066 0.000 -6.630) 6.715 11.848 ( -0.901 0.000 2.658) 2.806 11.923 ( -0.047 0.000 -1.073) 1.074 12.116 ( 1.802 0.000 -0.905) 2.016 12.266 ( 3.787 0.000 4.545) 5.916 12.269 ( 8.612 0.000 -0.656) 8.637 12.329 ( 0.239 0.000 -1.690) 1.706 12.425 ( 2.162 0.000 2.063) 2.989 12.445 ( -7.039 0.000 0.030) 7.039 12.759 ( -1.623 0.000 5.160) 5.409 12.881 ( 2.595 0.000 -6.619) 7.110 12.951 ( 4.916 0.000 4.192) 6.461 13.022 ( 2.074 0.000 -4.304) 4.778 13.147 ( -0.429 0.000 -3.872) 3.895 13.231 ( 6.069 0.000 2.162) 6.443 13.341 ( -4.641 0.000 -7.544) 8.857 13.381 ( 5.208 0.000 5.449) 7.538 13.470 ( 5.229 0.000 3.922) 6.537 13.475 ( -3.216 0.000 -2.899) 4.330 13.548 ( -2.881 0.000 5.408) 6.127 13.573 ( -0.200 0.000 -1.478) 1.491 13.792 ( -0.476 0.000 0.899) 1.018 13.812 ( 0.506 0.000 -0.069) 0.510 14.555 ( 5.728 0.000 -1.776) 5.997 14.572 ( 3.902 0.000 -1.315) 4.118 14.701 ( 5.084 0.000 2.807) 5.807 14.782 ( -2.196 0.000 1.243) 2.524 14.947 ( 5.345 0.000 4.838) 7.209 15.199 ( 7.052 0.000 30.182) 30.995 15.302 ( -3.120 0.000 1.262) 3.366 15.450 ( -1.127 0.000 0.772) 1.366 15.564 ( 8.688 0.000 -10.398) 13.550 15.857 ( 16.070 0.000 6.484) 17.329 16.009 ( -24.677 0.000 -32.212) 40.578 16.761 ( -31.176 0.000 -0.077) 31.176 17.755 ( -2.913 0.000 4.297) 5.191 17.821 ( 1.938 0.000 -4.891) 5.261 18.040 ( -1.563 0.000 0.171) 1.573 18.057 ( -0.658 0.000 -1.399) 1.546 18.121 ( 4.018 0.000 -1.463) 4.276 18.133 ( 1.385 0.000 -0.127) 1.391 18.332 ( 1.663 0.000 -1.824) 2.469 18.336 ( 1.374 0.000 2.303) 2.681 18.643 ( 2.822 0.000 -0.465) 2.860 18.658 ( 2.089 0.000 1.282) 2.451 18.888 ( -4.745 0.000 -0.968) 4.843 18.981 ( -8.818 0.000 1.095) 8.886 21.133 ( 5.485 0.000 -5.202) 7.559 21.147 ( 5.036 0.000 -3.864) 6.347 21.679 ( 8.665 0.000 3.883) 9.495 21.826 ( -2.649 0.000 17.103) 17.307 22.653 ( -1.487 0.000 1.323) 1.990 22.737 ( -1.491 0.000 -0.572) 1.597 22.914 ( 2.374 0.000 0.216) 2.384 23.000 ( 1.716 0.000 0.568) 1.807 23.023 ( -1.391 0.000 -4.952) 5.143 23.026 ( -2.078 0.000 -0.405) 2.117 23.242 ( 3.223 0.000 -2.428) 4.035 23.351 ( -3.513 0.000 -0.652) 3.573 ======================= Grid point 121 (54/70) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -24.204 0.000 6.453) 25.049 1.688 ( 24.204 0.000 -6.453) 25.049 1.893 ( -26.312 0.000 4.349) 26.669 1.893 ( 26.312 0.000 -4.349) 26.669 2.239 ( -1.113 0.000 -0.414) 1.187 2.239 ( 1.113 0.000 0.414) 1.187 2.568 ( 1.918 0.000 -3.665) 4.137 2.568 ( -1.918 0.000 3.665) 4.137 2.618 ( -7.429 0.000 1.523) 7.583 2.618 ( 7.429 0.000 -1.523) 7.583 3.032 ( -13.191 0.000 -3.744) 13.712 3.032 ( 13.191 0.000 3.744) 13.712 3.277 ( 12.930 0.000 -13.734) 18.863 3.277 ( -12.930 0.000 13.734) 18.863 3.314 ( 3.191 0.000 -1.978) 3.754 3.314 ( -3.191 0.000 1.978) 3.754 3.417 ( -31.230 0.000 -7.294) 32.071 3.417 ( 31.230 0.000 7.294) 32.071 3.536 ( -1.670 0.000 -2.668) 3.147 3.536 ( 1.670 0.000 2.668) 3.147 3.793 ( -1.691 0.000 -4.204) 4.531 3.793 ( 1.691 0.000 4.204) 4.531 4.113 ( 3.113 0.000 -2.438) 3.955 4.113 ( -3.113 0.000 2.438) 3.955 4.199 ( 0.500 0.000 -7.085) 7.103 4.199 ( -0.500 0.000 7.085) 7.103 4.262 ( -2.240 0.000 -6.058) 6.459 4.262 ( 2.240 0.000 6.058) 6.459 4.429 ( -1.900 0.000 -1.458) 2.395 4.429 ( 1.900 0.000 1.458) 2.395 4.480 ( -0.147 0.000 -0.808) 0.821 4.480 ( 0.147 0.000 0.808) 0.821 4.740 ( 2.789 0.000 -5.906) 6.531 4.740 ( -2.789 0.000 5.906) 6.531 5.009 ( -5.665 0.000 -5.632) 7.988 5.009 ( 5.665 0.000 5.632) 7.988 5.169 ( -4.814 0.000 0.893) 4.896 5.169 ( 4.814 0.000 -0.893) 4.896 5.202 ( -4.891 0.000 -3.795) 6.190 5.202 ( 4.891 0.000 3.795) 6.190 5.360 ( 4.156 0.000 -8.645) 9.592 5.360 ( -4.156 0.000 8.645) 9.592 5.520 ( -5.396 0.000 0.088) 5.397 5.520 ( 5.396 0.000 -0.088) 5.397 5.650 ( -8.369 0.000 -4.002) 9.276 5.650 ( 8.369 0.000 4.002) 9.276 5.737 ( -5.460 0.000 -4.827) 7.288 5.737 ( 5.460 0.000 4.827) 7.288 5.809 ( 2.643 0.000 -10.826) 11.144 5.809 ( -2.643 0.000 10.826) 11.144 5.984 ( -1.308 0.000 -8.106) 8.210 5.984 ( 1.308 0.000 8.106) 8.210 6.066 ( -3.725 0.000 -3.770) 5.299 6.066 ( 3.725 0.000 3.770) 5.299 6.161 ( -15.538 0.000 0.793) 15.558 6.161 ( 15.538 0.000 -0.793) 15.558 6.376 ( -9.331 0.000 -5.782) 10.977 6.376 ( 9.331 0.000 5.782) 10.977 6.525 ( 6.008 0.000 -11.451) 12.931 6.525 ( -6.008 0.000 11.451) 12.931 6.573 ( 1.910 0.000 -2.227) 2.934 6.573 ( -1.910 0.000 2.227) 2.934 6.744 ( -2.483 0.000 0.052) 2.484 6.744 ( 2.483 0.000 -0.052) 2.484 6.811 ( 6.203 0.000 -6.117) 8.712 6.811 ( -6.203 0.000 6.117) 8.712 7.044 ( -3.023 0.000 -5.479) 6.258 7.044 ( 3.023 0.000 5.479) 6.258 7.132 ( 5.371 0.000 -9.921) 11.282 7.132 ( -5.371 0.000 9.921) 11.282 7.187 ( -1.680 0.000 -1.653) 2.357 7.187 ( 1.680 0.000 1.653) 2.357 7.452 ( 5.216 0.000 -4.350) 6.792 7.452 ( -5.216 0.000 4.350) 6.792 7.707 ( 2.493 0.000 -3.462) 4.266 7.707 ( -2.493 0.000 3.462) 4.266 7.859 ( -0.389 0.000 -2.024) 2.062 7.859 ( 0.389 0.000 2.024) 2.062 7.997 ( -0.500 0.000 -3.500) 3.536 7.997 ( 0.500 0.000 3.500) 3.536 8.191 ( 6.131 0.000 -2.974) 6.814 8.191 ( -6.131 0.000 2.974) 6.814 8.249 ( -4.704 0.000 -1.406) 4.910 8.249 ( 4.704 0.000 1.406) 4.910 8.599 ( -2.586 0.000 -7.369) 7.809 8.599 ( 2.586 0.000 7.369) 7.809 8.691 ( 5.782 0.000 -2.465) 6.286 8.691 ( -5.782 0.000 2.465) 6.286 8.756 ( 0.367 0.000 -2.826) 2.849 8.756 ( -0.367 0.000 2.826) 2.849 8.860 ( 3.448 0.000 -10.405) 10.962 8.860 ( -3.448 0.000 10.405) 10.962 9.029 ( 3.774 0.000 -4.190) 5.639 9.029 ( -3.774 0.000 4.190) 5.639 9.276 ( -1.459 0.000 -5.568) 5.756 9.276 ( 1.459 0.000 5.568) 5.756 9.524 ( 4.345 0.000 -7.239) 8.443 9.524 ( -4.345 0.000 7.239) 8.443 9.579 ( -0.796 0.000 -8.231) 8.269 9.579 ( 0.796 0.000 8.231) 8.269 9.623 ( -1.069 0.000 -3.127) 3.305 9.623 ( 1.069 0.000 3.127) 3.305 9.782 ( -6.083 0.000 -0.087) 6.083 9.782 ( 6.083 0.000 0.087) 6.083 10.038 ( -3.739 0.000 -3.209) 4.927 10.038 ( 3.739 0.000 3.209) 4.927 10.178 ( 2.623 0.000 -7.063) 7.534 10.178 ( -2.623 0.000 7.063) 7.534 10.359 ( -8.061 0.000 -4.725) 9.344 10.359 ( 8.061 0.000 4.725) 9.344 10.426 ( -1.811 0.000 -0.264) 1.830 10.426 ( 1.811 0.000 0.264) 1.830 10.664 ( -2.454 0.000 -0.785) 2.577 10.664 ( 2.454 0.000 0.785) 2.577 11.097 ( -11.428 0.000 -2.681) 11.738 11.097 ( 11.428 0.000 2.681) 11.738 11.181 ( -2.081 0.000 -2.565) 3.303 11.181 ( 2.081 0.000 2.565) 3.303 11.329 ( 0.887 0.000 -10.892) 10.928 11.329 ( -0.887 0.000 10.892) 10.928 11.596 ( -0.679 0.000 -0.340) 0.760 11.596 ( 0.679 0.000 0.340) 0.760 11.885 ( -0.475 0.000 -3.847) 3.876 11.885 ( 0.475 0.000 3.847) 3.876 12.225 ( -5.700 0.000 -5.446) 7.884 12.225 ( 5.700 0.000 5.446) 7.884 12.325 ( -1.316 0.000 -0.155) 1.325 12.325 ( 1.316 0.000 0.155) 1.325 12.427 ( -2.887 0.000 -0.402) 2.915 12.427 ( 2.887 0.000 0.402) 2.915 12.823 ( 0.693 0.000 -7.614) 7.646 12.823 ( -0.693 0.000 7.614) 7.646 13.029 ( 2.120 0.000 -2.228) 3.076 13.029 ( -2.120 0.000 2.228) 3.076 13.171 ( -5.430 0.000 -4.321) 6.939 13.171 ( 5.430 0.000 4.321) 6.939 13.360 ( -5.487 0.000 -2.840) 6.178 13.360 ( 5.487 0.000 2.840) 6.178 13.516 ( -3.330 0.000 -3.480) 4.816 13.516 ( 3.330 0.000 3.480) 4.816 13.549 ( 2.888 0.000 -1.992) 3.508 13.549 ( -2.888 0.000 1.992) 3.508 13.806 ( -0.268 0.000 -1.055) 1.088 13.806 ( 0.268 0.000 1.055) 1.088 14.600 ( 0.716 0.000 -0.699) 1.001 14.600 ( -0.716 0.000 0.699) 1.001 14.761 ( 2.123 0.000 -1.251) 2.464 14.761 ( -2.123 0.000 1.251) 2.464 15.184 ( -10.087 0.000 -6.865) 12.201 15.184 ( 10.087 0.000 6.865) 12.201 15.459 ( 4.285 0.000 -7.320) 8.482 15.459 ( -4.285 0.000 7.320) 8.482 15.552 ( 4.160 0.000 -2.369) 4.787 15.552 ( -4.160 0.000 2.369) 4.787 16.265 ( -24.007 0.000 -4.051) 24.346 16.265 ( 24.007 0.000 4.051) 24.346 17.778 ( 1.482 0.000 -6.219) 6.393 17.778 ( -1.482 0.000 6.219) 6.393 18.028 ( 0.303 0.000 -1.865) 1.890 18.028 ( -0.303 0.000 1.865) 1.890 18.154 ( 1.257 0.000 -2.071) 2.422 18.154 ( -1.257 0.000 2.071) 2.422 18.351 ( 1.473 0.000 -0.700) 1.631 18.351 ( -1.473 0.000 0.700) 1.631 18.684 ( 2.117 0.000 -1.210) 2.438 18.684 ( -2.117 0.000 1.210) 2.438 18.866 ( -4.607 0.000 0.790) 4.674 18.866 ( 4.607 0.000 -0.790) 4.674 21.161 ( 1.171 0.000 -0.807) 1.422 21.161 ( -1.171 0.000 0.807) 1.422 21.822 ( 7.717 0.000 -3.433) 8.446 21.822 ( -7.717 0.000 3.433) 8.446 22.684 ( -1.783 0.000 -2.222) 2.849 22.684 ( 1.783 0.000 2.222) 2.849 22.961 ( -0.282 0.000 -3.422) 3.433 22.961 ( 0.282 0.000 3.422) 3.433 23.018 ( 1.762 0.000 -1.890) 2.584 23.018 ( -1.762 0.000 1.890) 2.584 23.287 ( -3.967 0.000 0.826) 4.052 23.287 ( 3.967 0.000 -0.826) 4.052 ======================= Grid point 125 (55/70) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -3.306 12.319 -22.037) 25.462 1.514 ( 3.306 12.319 22.037) 25.462 1.652 ( 1.724 22.616 -19.649) 30.009 1.652 ( -1.724 22.616 19.649) 30.009 2.462 ( -2.687 11.111 -15.017) 18.873 2.462 ( 2.687 11.111 15.017) 18.873 2.605 ( -1.993 1.147 -11.381) 11.611 2.605 ( 1.993 1.147 11.381) 11.611 2.799 ( -0.652 1.495 -8.517) 8.671 2.799 ( 0.652 1.495 8.517) 8.671 2.916 ( 0.113 5.675 -10.261) 11.726 2.916 ( -0.113 5.675 10.261) 11.726 3.141 ( -4.916 2.303 -4.812) 7.254 3.141 ( 4.916 2.303 4.812) 7.254 3.347 ( -2.800 4.632 -5.617) 7.801 3.347 ( 2.800 4.632 5.617) 7.801 3.511 ( 1.668 1.058 -8.909) 9.126 3.511 ( -1.668 1.058 8.909) 9.126 3.610 ( -4.073 -0.957 -7.311) 8.423 3.610 ( 4.073 -0.957 7.311) 8.423 3.772 ( -2.903 -4.528 -3.359) 6.341 3.772 ( 2.903 -4.528 3.359) 6.341 3.907 ( -1.925 2.158 0.051) 2.892 3.907 ( 1.925 2.158 -0.051) 2.892 4.042 ( 0.654 -2.212 -5.677) 6.128 4.042 ( -0.654 -2.212 5.677) 6.128 4.231 ( -6.623 0.243 -3.907) 7.694 4.231 ( 6.623 0.243 3.907) 7.694 4.338 ( -5.462 -3.754 -0.047) 6.627 4.338 ( 5.462 -3.754 0.047) 6.627 4.613 ( -0.041 -7.114 -7.196) 10.120 4.613 ( 0.041 -7.114 7.196) 10.120 4.748 ( -14.118 -2.454 -1.259) 14.385 4.748 ( 14.118 -2.454 1.259) 14.385 4.879 ( -5.918 1.670 -10.874) 12.492 4.879 ( 5.918 1.670 10.874) 12.492 5.006 ( -9.408 -7.459 -5.305) 13.126 5.006 ( 9.408 -7.459 5.305) 13.126 5.129 ( -4.910 -6.283 -2.442) 8.339 5.129 ( 4.910 -6.283 2.442) 8.339 5.327 ( -3.081 0.792 -6.128) 6.905 5.327 ( 3.081 0.792 6.128) 6.905 5.423 ( -1.197 0.045 -4.656) 4.808 5.423 ( 1.197 0.045 4.656) 4.808 5.645 ( -4.476 -8.404 -8.797) 12.964 5.645 ( 4.476 -8.404 8.797) 12.964 5.736 ( 3.174 -0.788 -15.185) 15.533 5.736 ( -3.174 -0.788 15.185) 15.533 5.867 ( -3.517 -2.563 -5.458) 6.981 5.867 ( 3.517 -2.563 5.458) 6.981 6.016 ( -1.981 1.082 -5.251) 5.715 6.016 ( 1.981 1.082 5.251) 5.715 6.104 ( -2.372 -1.316 -1.288) 3.003 6.104 ( 2.372 -1.316 1.288) 3.003 6.243 ( 6.080 4.991 -11.076) 13.585 6.243 ( -6.080 4.991 11.076) 13.585 6.366 ( -2.204 -1.067 -4.245) 4.901 6.366 ( 2.204 -1.067 4.245) 4.901 6.584 ( 0.993 4.871 -3.256) 5.943 6.584 ( -0.993 4.871 3.256) 5.943 6.694 ( -0.976 -2.119 -3.909) 4.553 6.694 ( 0.976 -2.119 3.909) 4.553 6.747 ( -12.789 8.366 -5.191) 16.140 6.747 ( 12.789 8.366 5.191) 16.140 7.009 ( -10.787 4.380 -7.744) 13.983 7.009 ( 10.787 4.380 7.744) 13.983 7.045 ( 0.930 0.638 -6.609) 6.704 7.045 ( -0.930 0.638 6.609) 6.704 7.141 ( -7.097 2.358 0.843) 7.526 7.141 ( 7.097 2.358 -0.843) 7.526 7.241 ( 1.208 -0.972 -8.314) 8.457 7.241 ( -1.208 -0.972 8.314) 8.457 7.603 ( 1.002 -8.787 -6.380) 10.905 7.603 ( -1.002 -8.787 6.380) 10.905 7.673 ( -2.870 -5.652 -4.662) 7.869 7.673 ( 2.870 -5.652 4.662) 7.869 7.846 ( -12.569 -3.984 0.328) 13.190 7.846 ( 12.569 -3.984 -0.328) 13.190 8.038 ( -0.734 -5.005 -1.918) 5.410 8.038 ( 0.734 -5.005 1.918) 5.410 8.100 ( -7.743 -2.274 -3.877) 8.953 8.100 ( 7.743 -2.274 3.877) 8.953 8.232 ( 1.091 -0.761 -6.732) 6.862 8.232 ( -1.091 -0.761 6.732) 6.862 8.372 ( -1.714 4.862 -2.778) 5.856 8.372 ( 1.714 4.862 2.778) 5.856 8.444 ( 1.782 -6.281 -7.256) 9.761 8.444 ( -1.782 -6.281 7.256) 9.761 8.686 ( -3.294 1.862 -4.043) 5.538 8.686 ( 3.294 1.862 4.043) 5.538 8.862 ( 0.231 7.468 -2.262) 7.807 8.862 ( -0.231 7.468 2.262) 7.807 8.992 ( -8.041 0.596 -2.760) 8.523 8.992 ( 8.041 0.596 2.760) 8.523 9.151 ( -1.386 4.240 -3.904) 5.928 9.151 ( 1.386 4.240 3.904) 5.928 9.310 ( 2.444 4.677 -6.126) 8.086 9.310 ( -2.444 4.677 6.126) 8.086 9.491 ( -2.480 2.604 -7.338) 8.171 9.491 ( 2.480 2.604 7.338) 8.171 9.643 ( -5.911 -2.972 0.360) 6.626 9.643 ( 5.911 -2.972 -0.360) 6.626 9.783 ( 0.031 6.414 -2.204) 6.782 9.783 ( -0.031 6.414 2.204) 6.782 10.024 ( -6.734 6.509 -3.108) 9.868 10.024 ( 6.734 6.509 3.108) 9.868 10.287 ( 1.889 8.452 -9.580) 12.914 10.287 ( -1.889 8.452 9.580) 12.914 10.425 ( -0.246 -0.913 -5.424) 5.506 10.425 ( 0.246 -0.913 5.424) 5.506 10.546 ( -5.336 3.470 -4.690) 7.906 10.546 ( 5.336 3.470 4.690) 7.906 10.819 ( -1.699 -0.827 -4.612) 4.985 10.819 ( 1.699 -0.827 4.612) 4.985 11.170 ( -8.055 -6.705 -4.592) 11.442 11.170 ( 8.055 -6.705 4.592) 11.442 11.268 ( -1.934 -2.720 -6.890) 7.656 11.268 ( 1.934 -2.720 6.890) 7.656 11.473 ( 4.369 2.278 -4.587) 6.732 11.473 ( -4.369 2.278 4.587) 6.732 11.716 ( -0.532 -4.928 -5.044) 7.072 11.716 ( 0.532 -4.928 5.044) 7.072 11.854 ( -1.038 -1.324 -1.591) 2.316 11.854 ( 1.038 -1.324 1.591) 2.316 11.909 ( -2.175 -6.597 -1.642) 7.138 11.909 ( 2.175 -6.597 1.642) 7.138 12.216 ( -2.968 -4.573 -3.549) 6.505 12.216 ( 2.968 -4.573 3.549) 6.505 12.537 ( -1.157 0.430 -1.386) 1.857 12.537 ( 1.157 0.430 1.386) 1.857 12.702 ( -0.919 -9.502 -1.975) 9.748 12.702 ( 0.919 -9.502 1.975) 9.748 12.933 ( 0.457 7.633 -5.546) 9.447 12.933 ( -0.457 7.633 5.546) 9.447 13.217 ( -1.473 10.611 -2.152) 10.927 13.217 ( 1.473 10.611 2.152) 10.927 13.351 ( 0.361 4.800 -1.790) 5.135 13.351 ( -0.361 4.800 1.790) 5.135 13.550 ( 0.900 5.705 -4.136) 7.104 13.550 ( -0.900 5.705 4.136) 7.104 13.695 ( 0.896 5.162 -0.724) 5.289 13.695 ( -0.896 5.162 0.724) 5.289 13.812 ( -0.620 2.042 0.033) 2.134 13.812 ( 0.620 2.042 -0.033) 2.134 14.397 ( -1.029 -0.088 -2.624) 2.820 14.397 ( 1.029 -0.088 2.624) 2.820 14.540 ( 1.079 0.301 -3.641) 3.809 14.540 ( -1.079 0.301 3.641) 3.809 14.873 ( 0.387 2.852 -0.612) 2.942 14.873 ( -0.387 2.852 0.612) 2.942 15.399 ( -5.748 -0.101 0.966) 5.829 15.399 ( 5.748 -0.101 -0.966) 5.829 15.491 ( -1.152 -1.546 -3.447) 3.949 15.491 ( 1.152 -1.546 3.447) 3.949 17.286 ( -12.284 -34.669 -7.470) 37.532 17.286 ( 12.284 -34.669 7.470) 37.532 17.747 ( -14.074 0.281 -0.421) 14.083 17.747 ( 14.074 0.281 0.421) 14.083 17.852 ( -4.780 0.889 -0.318) 4.872 17.852 ( 4.780 0.889 0.318) 4.872 18.126 ( 2.340 0.724 -1.794) 3.037 18.126 ( -2.340 0.724 1.794) 3.037 18.350 ( 2.965 3.285 -2.120) 4.907 18.350 ( -2.965 3.285 2.120) 4.907 18.657 ( -2.244 4.580 -0.868) 5.174 18.657 ( 2.244 4.580 0.868) 5.174 19.105 ( -2.653 -3.182 -4.193) 5.894 19.105 ( 2.653 -3.182 4.193) 5.894 21.202 ( -0.250 3.947 -12.383) 12.999 21.202 ( 0.250 3.947 12.383) 12.999 21.342 ( 0.357 16.706 -14.359) 22.032 21.342 ( -0.357 16.706 14.359) 22.032 22.761 ( -1.471 -1.341 -1.222) 2.336 22.761 ( 1.471 -1.341 1.222) 2.336 22.878 ( -1.023 -0.393 -0.977) 1.468 22.878 ( 1.023 -0.393 0.977) 1.468 23.124 ( 2.658 -2.953 -1.638) 4.298 23.124 ( -2.658 -2.953 1.638) 4.298 23.319 ( -5.667 -6.085 -0.924) 8.367 23.319 ( 5.667 -6.085 0.924) 8.367 ======================= Grid point 127 (56/70) ======================= q-point: ( 0.17 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 12.189 15.649 -20.982) 28.874 1.473 ( 13.696 23.617 -19.887) 33.777 1.892 ( 3.768 10.815 23.316) 25.977 2.066 ( 9.350 14.009 20.331) 26.401 2.282 ( 13.627 17.746 -24.579) 33.238 2.461 ( -2.522 -4.042 -3.919) 6.170 2.550 ( -0.763 2.931 -0.827) 3.139 2.602 ( -2.438 2.811 -9.424) 10.132 2.671 ( -8.525 3.982 -0.621) 9.430 2.798 ( 0.534 4.595 -8.163) 9.382 2.895 ( -7.515 0.545 -8.703) 11.511 2.956 ( 1.340 3.201 -1.182) 3.666 3.067 ( 2.540 5.582 13.905) 15.197 3.128 ( -3.088 6.315 -2.971) 7.631 3.374 ( -2.315 4.085 -4.706) 6.647 3.449 ( -2.801 7.040 12.647) 14.743 3.501 ( 1.052 -1.262 -0.093) 1.645 3.567 ( -2.488 -0.262 2.367) 3.445 3.595 ( 3.699 -5.497 3.891) 7.684 3.714 ( 0.783 -2.684 4.006) 4.885 3.812 ( -3.467 -0.256 2.624) 4.356 3.855 ( 7.588 -3.297 8.275) 11.701 3.879 ( -4.396 1.286 3.121) 5.542 3.955 ( 0.831 -7.702 2.773) 8.228 3.998 ( -3.082 -3.606 4.237) 6.361 4.122 ( 3.056 -4.155 -2.558) 5.757 4.194 ( -7.693 -0.721 2.176) 8.027 4.223 ( 12.061 -2.547 4.904) 13.267 4.392 ( -2.881 -0.236 2.235) 3.654 4.433 ( 5.718 -3.363 0.345) 6.643 4.475 ( 2.322 -1.776 -0.399) 2.950 4.610 ( -6.436 -5.902 1.429) 8.849 4.733 ( 0.004 -2.096 -2.526) 3.283 4.801 ( -1.676 -0.658 -0.027) 1.801 4.837 ( 9.435 -9.846 4.122) 14.246 4.971 ( 1.402 -2.099 -4.924) 5.534 5.008 ( -0.183 -7.182 2.342) 7.557 5.085 ( -0.064 -6.142 5.501) 8.246 5.122 ( 2.051 2.528 -2.115) 3.882 5.263 ( 8.344 0.214 0.102) 8.347 5.342 ( 4.009 1.662 -4.380) 6.166 5.360 ( 5.525 -5.197 1.889) 7.817 5.402 ( 1.710 -8.798 -3.731) 9.708 5.456 ( -3.645 -4.337 -4.038) 6.957 5.503 ( -0.627 -1.316 1.540) 2.121 5.643 ( 4.783 -1.988 -6.193) 8.074 5.682 ( 4.722 2.456 -3.271) 6.247 5.815 ( -5.879 -0.214 2.531) 6.404 5.853 ( -3.574 1.725 0.471) 3.996 5.915 ( -2.648 -10.446 3.045) 11.199 5.977 ( -3.115 -6.921 -4.310) 8.728 5.984 ( -4.205 5.668 4.512) 8.377 6.067 ( -4.443 1.302 3.180) 5.617 6.114 ( -0.904 -5.592 2.065) 6.029 6.180 ( 0.537 1.118 -1.235) 1.751 6.274 ( -4.658 7.817 -1.777) 9.272 6.277 ( 6.537 -2.415 0.755) 7.009 6.361 ( -21.556 5.003 -2.172) 22.235 6.505 ( 2.252 2.190 1.250) 3.381 6.520 ( -5.414 6.590 -0.209) 8.531 6.621 ( 0.645 0.945 0.679) 1.330 6.646 ( -3.370 4.226 3.906) 6.669 6.761 ( -3.639 -2.959 -4.430) 6.452 6.844 ( 3.227 2.647 3.890) 5.706 6.908 ( 0.549 0.830 -3.146) 3.299 7.038 ( 3.873 3.423 1.517) 5.387 7.057 ( -0.865 -0.053 1.344) 1.599 7.109 ( -1.379 3.777 2.781) 4.889 7.142 ( 3.412 2.232 -15.339) 15.872 7.154 ( -1.729 -1.738 0.151) 2.457 7.231 ( 5.424 3.574 1.650) 6.702 7.437 ( -15.792 -7.092 0.162) 17.312 7.518 ( 0.248 -1.207 -0.255) 1.258 7.570 ( -2.648 -8.349 1.386) 8.868 7.657 ( 7.209 1.031 11.803) 13.869 7.769 ( 2.956 -5.983 7.778) 10.249 7.790 ( -1.466 -6.239 -9.078) 11.112 7.814 ( -4.858 -4.055 1.131) 6.428 7.958 ( 1.291 -3.327 3.870) 5.264 8.039 ( 3.523 -6.100 -1.339) 7.171 8.116 ( -1.449 1.721 -3.155) 3.875 8.140 ( 3.307 -3.926 -5.047) 7.199 8.290 ( -1.347 -5.204 3.985) 6.691 8.318 ( 4.394 -4.442 -0.011) 6.249 8.337 ( 1.089 -1.508 3.349) 3.830 8.431 ( 3.031 4.764 5.523) 7.899 8.459 ( 4.939 -1.940 -2.073) 5.697 8.535 ( 1.913 -5.699 3.400) 6.906 8.642 ( 0.228 -3.662 4.924) 6.141 8.822 ( 1.989 8.062 3.411) 8.977 8.838 ( 0.885 0.245 -1.073) 1.412 8.924 ( 5.278 5.486 1.506) 7.760 8.978 ( 7.198 -1.373 1.099) 7.410 9.072 ( 1.844 5.430 -6.603) 8.746 9.116 ( 4.078 0.267 -1.258) 4.276 9.212 ( 4.122 10.934 1.928) 11.843 9.308 ( -0.649 6.444 -0.834) 6.530 9.374 ( 8.983 -1.307 -1.034) 9.136 9.415 ( 1.992 1.355 -3.417) 4.181 9.553 ( -1.031 -1.433 -0.234) 1.781 9.627 ( -1.416 1.572 4.328) 4.818 9.704 ( -2.470 7.411 -3.588) 8.597 9.746 ( 1.388 -0.319 -3.098) 3.410 9.806 ( 4.717 2.894 4.508) 7.138 9.916 ( 1.990 8.159 -3.796) 9.217 10.133 ( 2.005 2.226 -0.101) 2.998 10.177 ( 0.316 4.483 -11.416) 12.269 10.274 ( -4.028 3.448 -3.530) 6.369 10.348 ( -5.890 8.261 7.737) 12.759 10.482 ( -1.001 2.942 3.343) 4.565 10.520 ( 2.717 7.863 0.559) 8.338 10.680 ( 1.947 -0.048 4.478) 4.884 10.729 ( -1.636 3.769 -3.503) 5.400 10.819 ( -6.307 -7.804 -0.503) 10.047 10.969 ( -9.453 -1.917 1.205) 9.720 11.123 ( -2.329 1.216 -7.937) 8.361 11.233 ( -3.921 -3.799 2.766) 6.120 11.337 ( 1.238 -5.767 3.053) 6.641 11.429 ( -6.706 -3.012 0.377) 7.361 11.510 ( 3.327 1.552 -2.301) 4.333 11.668 ( -3.116 -0.746 0.153) 3.208 11.670 ( -3.796 -3.578 -6.222) 8.119 11.834 ( -1.590 -4.403 2.952) 5.535 11.858 ( 0.624 -2.214 0.228) 2.311 11.978 ( 6.594 -3.556 3.157) 8.130 12.023 ( 7.620 -8.410 -0.319) 11.353 12.190 ( 2.549 -1.953 0.146) 3.215 12.306 ( 2.405 -5.214 2.144) 6.129 12.407 ( -8.516 1.759 -0.041) 8.695 12.516 ( -4.075 -2.273 -1.744) 4.982 12.665 ( -1.775 -8.635 0.370) 8.823 12.749 ( 0.390 -8.971 1.871) 9.173 12.937 ( 4.573 6.266 -2.988) 8.313 13.045 ( 2.563 4.274 6.738) 8.381 13.195 ( 1.312 8.754 -2.782) 9.278 13.289 ( 2.595 9.953 -0.578) 10.302 13.359 ( 1.974 6.245 0.360) 6.559 13.387 ( 3.811 4.239 4.796) 7.449 13.503 ( -0.842 4.004 -4.924) 6.402 13.587 ( -0.146 8.213 3.737) 9.024 13.648 ( -3.246 6.152 -0.709) 6.992 13.684 ( -0.054 6.470 -1.080) 6.560 13.812 ( 0.264 1.465 0.410) 1.544 13.823 ( -0.849 2.055 1.201) 2.527 14.444 ( 6.040 -1.961 1.009) 6.430 14.495 ( 5.952 -0.215 0.165) 5.958 14.554 ( 3.888 -1.672 0.074) 4.233 14.627 ( 8.263 -2.319 4.341) 9.618 14.870 ( -0.031 4.119 0.765) 4.190 14.896 ( 1.651 2.214 2.132) 3.489 15.329 ( -3.570 -0.978 1.237) 3.902 15.440 ( 3.225 -5.493 -5.280) 8.274 15.504 ( 2.286 4.182 2.785) 5.520 15.603 ( 7.499 -1.418 4.049) 8.639 16.743 ( -30.352 -19.570 -15.670) 39.367 17.182 ( -29.009 -19.160 -1.162) 34.785 17.701 ( 9.028 -7.474 0.727) 11.743 17.816 ( 1.651 3.428 1.653) 4.148 17.854 ( 3.641 1.152 -1.652) 4.161 17.998 ( 6.403 -3.439 -2.604) 7.721 18.115 ( -0.499 -2.361 1.019) 2.620 18.154 ( 1.737 4.864 0.207) 5.169 18.327 ( -2.167 3.152 2.994) 4.857 18.386 ( 2.420 3.708 -2.141) 4.918 18.609 ( -1.952 2.249 -0.392) 3.003 18.696 ( 1.300 4.267 0.125) 4.463 18.971 ( -6.843 -1.963 -1.032) 7.193 19.142 ( -4.523 -0.852 2.197) 5.100 21.109 ( 3.789 -0.995 -9.092) 9.900 21.226 ( 3.198 12.293 -7.914) 14.966 21.438 ( 6.707 1.358 13.007) 14.698 21.618 ( 7.320 11.159 17.522) 22.026 22.706 ( -4.011 -2.058 -1.539) 4.764 22.752 ( -1.167 0.122 -0.590) 1.314 22.886 ( 1.977 -0.361 -0.501) 2.071 22.931 ( 4.620 -0.351 -0.248) 4.640 23.074 ( -4.515 -1.929 0.923) 4.996 23.091 ( -5.563 -4.427 -2.580) 7.563 23.204 ( 0.552 -4.678 -4.757) 6.695 23.361 ( -0.114 -4.200 -1.186) 4.365 ======================= Grid point 128 (57/70) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 29.096 11.836 -1.765) 31.461 1.607 ( 22.745 16.702 -11.847) 30.605 2.087 ( -6.824 4.424 2.550) 8.523 2.222 ( 1.273 0.821 -3.581) 3.888 2.337 ( -17.927 9.998 4.315) 20.975 2.408 ( 10.607 2.949 7.614) 13.386 2.445 ( -11.110 5.629 -3.799) 13.021 2.534 ( 10.879 8.071 1.572) 13.637 2.693 ( -4.296 2.734 -0.564) 5.123 2.753 ( 5.099 1.526 -3.212) 6.217 2.783 ( 20.831 8.105 -6.130) 23.177 2.947 ( 4.964 6.475 -3.041) 8.708 3.017 ( -4.529 8.777 0.743) 9.904 3.200 ( -2.200 -2.417 5.398) 6.310 3.326 ( -8.280 2.274 -2.693) 8.999 3.380 ( -3.403 -1.191 -1.640) 3.961 3.430 ( -4.743 -3.201 -2.997) 6.459 3.503 ( 3.088 5.350 -4.951) 7.917 3.692 ( -6.988 -1.818 1.017) 7.292 3.705 ( -1.284 -6.862 7.086) 9.948 3.756 ( -1.548 -4.131 -0.984) 4.519 3.911 ( 4.394 1.015 5.031) 6.756 3.971 ( 3.372 -3.655 -0.010) 4.973 4.014 ( -1.475 -3.548 -2.449) 4.557 4.073 ( 0.402 -8.924 3.821) 9.716 4.145 ( -2.762 -2.231 3.274) 4.829 4.237 ( 8.050 -1.806 9.001) 12.210 4.349 ( 2.151 -1.802 -4.530) 5.329 4.385 ( -2.025 0.770 1.940) 2.909 4.435 ( -9.355 -5.673 3.583) 11.512 4.530 ( -2.924 3.124 0.231) 4.285 4.593 ( 0.348 3.089 -5.016) 5.902 4.757 ( 5.038 -0.474 -1.395) 5.249 4.816 ( -2.566 -2.842 4.922) 6.237 4.859 ( 0.249 -7.200 -4.212) 8.345 4.933 ( 2.298 -6.331 4.181) 7.927 5.052 ( -4.189 5.043 2.584) 7.047 5.137 ( 5.173 -6.039 -2.516) 8.340 5.213 ( 5.514 -8.557 6.910) 12.304 5.280 ( -6.833 1.298 -2.419) 7.364 5.336 ( -1.140 3.506 -6.067) 7.099 5.378 ( 1.380 -11.090 -1.398) 11.262 5.417 ( 4.354 -7.422 5.217) 10.063 5.462 ( 3.449 0.325 -3.676) 5.051 5.547 ( 2.536 2.775 0.569) 3.803 5.608 ( -0.329 -7.635 -2.382) 8.005 5.722 ( -0.486 -3.837 6.642) 7.686 5.728 ( -1.137 -2.654 -7.721) 8.243 5.784 ( -8.865 -2.087 0.319) 9.113 5.856 ( -2.040 5.814 0.350) 6.171 5.867 ( -4.544 -6.681 5.840) 9.969 6.005 ( -4.993 2.001 5.178) 7.466 6.037 ( 0.865 -1.069 -6.077) 6.230 6.105 ( 6.052 7.806 1.990) 10.076 6.135 ( -0.509 -0.025 -3.345) 3.384 6.248 ( 0.352 -0.422 0.711) 0.899 6.271 ( 2.641 3.701 0.042) 4.547 6.352 ( 1.038 -0.957 7.741) 7.869 6.458 ( 3.800 -2.147 -4.309) 6.133 6.547 ( 1.547 -4.053 2.440) 4.977 6.563 ( -8.473 -4.447 -1.390) 9.669 6.643 ( -4.128 5.550 3.133) 7.593 6.723 ( -1.749 1.909 2.053) 3.304 6.819 ( 2.294 -3.897 -2.025) 4.954 6.919 ( -1.104 -0.382 -0.231) 1.191 6.943 ( -1.555 2.665 -9.467) 9.957 7.004 ( -7.039 8.299 -4.860) 11.918 7.063 ( -0.966 4.148 -3.424) 5.465 7.126 ( 1.791 0.293 0.814) 1.989 7.216 ( 1.207 1.504 2.804) 3.403 7.258 ( -4.538 2.262 3.675) 6.262 7.329 ( -0.618 -7.166 0.382) 7.203 7.391 ( -6.558 -4.995 -7.249) 10.977 7.482 ( -5.019 0.971 -3.964) 6.468 7.614 ( -2.358 -5.773 2.269) 6.636 7.707 ( -0.825 3.767 5.333) 6.581 7.723 ( -4.600 -5.283 0.169) 7.007 7.931 ( -0.152 -0.103 -5.417) 5.420 8.007 ( -3.247 -3.872 4.419) 6.713 8.053 ( 0.778 -0.309 -0.190) 0.858 8.107 ( 6.297 4.095 -6.047) 9.643 8.189 ( -1.907 -3.867 -0.591) 4.352 8.322 ( -1.514 2.079 0.036) 2.572 8.339 ( 8.549 -11.358 4.318) 14.857 8.434 ( 5.747 -5.858 2.779) 8.664 8.496 ( -4.479 -2.528 6.523) 8.306 8.566 ( 1.331 -0.287 3.896) 4.127 8.639 ( 3.020 -3.403 5.111) 6.843 8.732 ( 6.029 -5.611 -2.459) 8.595 8.825 ( 0.390 0.821 3.633) 3.745 8.882 ( -1.166 4.224 -1.023) 4.499 8.929 ( -6.586 0.804 -0.316) 6.642 8.993 ( 2.482 5.470 -6.635) 8.950 9.089 ( 3.683 4.129 -4.162) 6.924 9.205 ( -2.564 2.339 -0.954) 3.599 9.252 ( 7.866 -2.809 -2.815) 8.814 9.380 ( 7.503 3.070 0.797) 8.146 9.429 ( -1.154 -6.973 4.349) 8.299 9.477 ( 9.229 4.103 -2.836) 10.491 9.585 ( -0.328 4.013 -2.646) 4.818 9.682 ( 0.966 -1.615 -1.380) 2.334 9.740 ( 10.069 3.169 2.004) 10.744 9.761 ( 4.880 -0.733 -1.150) 5.067 9.885 ( 1.292 9.164 2.866) 9.688 9.991 ( 3.276 5.666 0.820) 6.596 10.113 ( 2.345 5.646 3.746) 7.170 10.120 ( -2.520 -3.055 -1.433) 4.212 10.216 ( -0.084 1.392 0.831) 1.623 10.274 ( -7.821 3.199 -1.269) 8.545 10.476 ( -0.148 7.898 2.653) 8.333 10.529 ( -3.719 0.224 1.125) 3.892 10.631 ( -2.971 8.107 -4.770) 9.864 10.674 ( -7.550 -2.933 -1.308) 8.204 10.751 ( -5.236 7.480 -2.590) 9.490 10.897 ( 4.747 -1.464 5.269) 7.242 11.081 ( 2.057 0.943 -1.110) 2.520 11.186 ( -3.667 -3.274 2.293) 5.424 11.313 ( -4.822 -1.337 1.292) 5.168 11.405 ( -2.541 -1.451 3.798) 4.794 11.490 ( -1.467 -1.125 -6.632) 6.885 11.549 ( 0.105 0.571 2.511) 2.578 11.596 ( -2.148 -0.167 -6.973) 7.298 11.813 ( -2.595 -2.588 2.397) 4.379 11.873 ( -0.213 -4.378 -1.733) 4.713 12.124 ( 4.276 -3.926 3.082) 6.573 12.128 ( 5.716 -5.537 -0.886) 8.007 12.237 ( 2.976 -2.049 -1.489) 3.908 12.293 ( -1.897 -4.646 -0.790) 5.080 12.362 ( -1.042 -6.826 2.279) 7.271 12.421 ( -4.683 -2.386 -0.962) 5.343 12.661 ( 0.138 -7.664 2.946) 8.212 12.759 ( -1.361 -11.397 1.370) 11.559 12.999 ( 6.159 5.193 -1.966) 8.293 13.093 ( 0.164 3.516 -0.823) 3.615 13.171 ( 0.420 7.098 -3.284) 7.832 13.319 ( -1.748 1.847 -1.497) 2.951 13.368 ( 1.183 7.063 -2.105) 7.465 13.476 ( 3.414 6.323 1.915) 7.437 13.509 ( 0.642 3.756 3.000) 4.850 13.611 ( 0.972 10.187 0.519) 10.247 13.628 ( 0.103 9.154 2.666) 9.535 13.673 ( -1.188 6.588 -0.137) 6.696 13.808 ( 0.334 1.297 -0.273) 1.367 13.832 ( -0.374 2.033 0.842) 2.232 14.547 ( 5.307 -1.173 -0.192) 5.438 14.573 ( 3.763 0.043 -0.776) 3.843 14.642 ( 4.418 -4.015 1.555) 6.169 14.756 ( -1.483 -4.264 1.026) 4.630 14.955 ( 5.240 0.163 5.027) 7.264 15.080 ( 7.831 -4.649 15.388) 17.881 15.282 ( -3.495 -1.960 0.853) 4.097 15.464 ( 5.603 -4.275 -3.615) 7.921 15.557 ( 0.864 2.257 0.774) 2.538 15.842 ( 14.200 -1.888 4.691) 15.073 16.031 ( -22.017 0.733 -22.660) 31.603 16.667 ( -28.993 -9.070 -0.126) 30.379 17.766 ( -0.793 0.563 3.582) 3.712 17.843 ( 1.411 2.066 -3.667) 4.439 17.980 ( 8.555 -4.902 -1.508) 9.975 18.031 ( 2.592 -0.327 -0.378) 2.640 18.109 ( -1.163 -0.286 -0.768) 1.423 18.160 ( -0.724 3.804 -0.250) 3.881 18.356 ( 2.714 3.040 -0.059) 4.076 18.394 ( 0.159 4.144 0.967) 4.258 18.584 ( -0.186 -1.696 -0.315) 1.735 18.693 ( -2.976 -0.760 0.950) 3.215 18.884 ( -1.239 1.435 -0.486) 1.957 19.043 ( -7.075 3.123 -0.167) 7.735 21.118 ( 5.244 -1.507 -3.866) 6.688 21.202 ( 1.953 4.880 -5.048) 7.288 21.669 ( 7.918 -0.854 4.495) 9.144 21.838 ( -5.200 -0.272 13.645) 14.605 22.634 ( -1.612 -1.661 1.364) 2.687 22.735 ( -1.329 -0.358 -1.207) 1.831 22.913 ( 1.535 -0.477 0.222) 1.622 22.974 ( -1.815 -3.276 -2.271) 4.380 23.005 ( 1.281 -0.328 -0.075) 1.325 23.022 ( 0.305 -0.586 -1.174) 1.347 23.210 ( 3.219 -2.792 -2.087) 4.745 23.315 ( -3.425 -3.421 -0.463) 4.863 ======================= Grid point 129 (58/70) ======================= q-point: (-0.50 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -7.472 7.528 -3.489) 11.166 1.858 ( 7.472 7.528 3.489) 11.166 2.000 ( -25.941 10.910 5.331) 28.643 2.000 ( 25.941 10.910 -5.331) 28.643 2.248 ( -3.628 4.811 -2.954) 6.711 2.248 ( 3.628 4.811 2.954) 6.711 2.579 ( 3.616 3.563 -6.024) 7.878 2.579 ( -3.616 3.563 6.024) 7.878 2.769 ( -7.751 8.256 -8.508) 14.164 2.769 ( 7.751 8.256 8.508) 14.164 2.960 ( -8.455 -4.090 -1.856) 9.574 2.960 ( 8.455 -4.090 1.856) 9.574 3.153 ( 0.342 -3.885 -6.316) 7.423 3.153 ( -0.342 -3.885 6.316) 7.423 3.302 ( -7.920 -1.302 -2.931) 8.545 3.302 ( 7.920 -1.302 2.931) 8.545 3.491 ( -23.934 5.716 0.773) 24.619 3.491 ( 23.934 5.716 -0.773) 24.619 3.600 ( -5.425 0.605 -1.883) 5.774 3.600 ( 5.425 0.605 1.883) 5.774 3.785 ( -6.037 -1.183 -5.498) 8.251 3.785 ( 6.037 -1.183 5.498) 8.251 4.033 ( 4.410 -3.147 -5.799) 7.936 4.033 ( -4.410 -3.147 5.799) 7.936 4.195 ( 0.551 -0.842 -3.475) 3.617 4.195 ( -0.551 -0.842 3.475) 3.617 4.217 ( 1.196 -3.272 -6.324) 7.220 4.217 ( -1.196 -3.272 6.324) 7.220 4.421 ( 3.195 -2.336 -4.661) 6.115 4.421 ( -3.195 -2.336 4.661) 6.115 4.489 ( 0.253 6.581 -5.096) 8.327 4.489 ( -0.253 6.581 5.096) 8.327 4.815 ( 1.207 1.581 -3.491) 4.018 4.815 ( -1.207 1.581 3.491) 4.018 4.953 ( -8.875 -5.847 0.051) 10.628 4.953 ( 8.875 -5.847 -0.051) 10.628 5.062 ( -0.426 -6.039 -10.234) 11.891 5.062 ( 0.426 -6.039 10.234) 11.891 5.223 ( -2.280 -2.497 -1.998) 3.928 5.223 ( 2.280 -2.497 1.998) 3.928 5.338 ( -1.012 -2.467 -0.782) 2.779 5.338 ( 1.012 -2.467 0.782) 2.779 5.482 ( 1.590 -4.757 -2.714) 5.703 5.482 ( -1.590 -4.757 2.714) 5.703 5.642 ( 3.154 -6.693 -3.242) 8.078 5.642 ( -3.154 -6.693 3.242) 8.078 5.675 ( -4.436 -2.854 -0.619) 5.311 5.675 ( 4.436 -2.854 0.619) 5.311 5.823 ( -4.071 0.846 -2.036) 4.630 5.823 ( 4.071 0.846 2.036) 4.630 5.889 ( -2.953 -2.924 -6.221) 7.481 5.889 ( 2.953 -2.924 6.221) 7.481 6.103 ( -0.447 4.182 -7.583) 8.671 6.103 ( 0.447 4.182 7.583) 8.671 6.172 ( -0.386 0.411 -4.786) 4.819 6.172 ( 0.386 0.411 4.786) 4.819 6.367 ( -9.508 -1.223 -3.326) 10.147 6.367 ( 9.508 -1.223 3.326) 10.147 6.511 ( 2.389 -2.560 -2.200) 4.135 6.511 ( -2.389 -2.560 2.200) 4.135 6.598 ( -5.804 4.746 -9.022) 11.731 6.598 ( 5.804 4.746 9.022) 11.731 6.754 ( -4.665 1.127 -8.712) 9.947 6.754 ( 4.665 1.127 8.712) 9.947 6.899 ( -1.998 -1.603 -4.427) 5.115 6.899 ( 1.998 -1.603 4.427) 5.115 6.977 ( -9.566 0.950 -1.675) 9.758 6.977 ( 9.566 0.950 1.675) 9.758 7.108 ( 9.214 -3.684 -5.537) 11.363 7.108 ( -9.214 -3.684 5.537) 11.363 7.268 ( -0.198 3.750 -2.105) 4.305 7.268 ( 0.198 3.750 2.105) 4.305 7.422 ( 2.252 0.032 -1.677) 2.808 7.422 ( -2.252 0.032 1.677) 2.808 7.637 ( 0.074 -2.218 -1.068) 2.463 7.637 ( -0.074 -2.218 1.068) 2.463 7.806 ( -2.935 -5.729 -6.609) 9.226 7.806 ( 2.935 -5.729 6.609) 9.226 8.035 ( 1.732 5.223 -2.239) 5.941 8.035 ( -1.732 5.223 2.239) 5.941 8.164 ( 2.585 -1.803 -5.216) 6.095 8.164 ( -2.585 -1.803 5.216) 6.095 8.363 ( -4.125 4.896 -1.885) 6.674 8.363 ( 4.125 4.896 1.885) 6.674 8.516 ( -0.804 -7.443 -6.685) 10.036 8.516 ( 0.804 -7.443 6.685) 10.036 8.618 ( -4.038 -5.205 -5.677) 8.696 8.618 ( 4.038 -5.205 5.677) 8.696 8.788 ( 3.151 0.589 -1.288) 3.455 8.788 ( -3.151 0.589 1.288) 3.455 8.922 ( -2.612 5.818 -1.079) 6.468 8.922 ( 2.612 5.818 1.079) 6.468 8.970 ( -0.047 -0.194 -6.893) 6.896 8.970 ( 0.047 -0.194 6.893) 6.896 9.269 ( -0.888 -2.988 -4.741) 5.674 9.269 ( 0.888 -2.988 4.741) 5.674 9.475 ( -3.489 -3.446 -4.722) 6.808 9.475 ( 3.489 -3.446 4.722) 6.808 9.572 ( -3.216 -0.588 -7.648) 8.318 9.572 ( 3.216 -0.588 7.648) 8.318 9.677 ( -4.362 3.837 -5.037) 7.689 9.677 ( 4.362 3.837 5.037) 7.689 9.883 ( -4.279 7.729 -0.470) 8.847 9.883 ( 4.279 7.729 0.470) 8.847 10.057 ( -2.183 0.051 -2.080) 3.016 10.057 ( 2.183 0.051 2.080) 3.016 10.211 ( 1.745 0.709 -1.781) 2.592 10.211 ( -1.745 0.709 1.781) 2.592 10.346 ( -11.492 1.467 -6.378) 13.225 10.346 ( 11.492 1.467 6.378) 13.225 10.522 ( 0.480 5.944 -5.039) 7.807 10.522 ( -0.480 5.944 5.039) 7.807 10.642 ( -2.305 4.201 -3.351) 5.847 10.642 ( 2.305 4.201 3.351) 5.847 11.055 ( -3.026 -1.412 -1.283) 3.578 11.055 ( 3.026 -1.412 1.283) 3.578 11.237 ( -7.188 1.088 -3.532) 8.082 11.237 ( 7.188 1.088 3.532) 8.082 11.384 ( -1.856 4.108 -7.259) 8.545 11.384 ( 1.856 4.108 7.259) 8.545 11.573 ( 1.069 -1.661 -1.039) 2.232 11.573 ( -1.069 -1.661 1.039) 2.232 11.824 ( 0.404 -4.958 -4.544) 6.737 11.824 ( -0.404 -4.958 4.544) 6.737 12.182 ( 1.474 -5.714 -3.453) 6.837 12.182 ( -1.474 -5.714 3.453) 6.837 12.263 ( -0.414 -2.831 -0.369) 2.884 12.263 ( 0.414 -2.831 0.369) 2.884 12.361 ( -0.013 -5.617 -1.110) 5.725 12.361 ( 0.013 -5.617 1.110) 5.725 12.724 ( -1.208 -10.033 -2.835) 10.495 12.724 ( 1.208 -10.033 2.835) 10.495 13.076 ( -1.675 3.892 0.026) 4.237 13.076 ( 1.675 3.892 -0.026) 4.237 13.190 ( -5.106 4.742 -2.112) 7.281 13.190 ( 5.106 4.742 2.112) 7.281 13.442 ( -2.804 5.094 -1.364) 5.973 13.442 ( 2.804 5.094 1.364) 5.973 13.604 ( -3.604 6.429 -2.588) 7.812 13.604 ( 3.604 6.429 2.588) 7.812 13.650 ( 1.213 9.473 -1.975) 9.752 13.650 ( -1.213 9.473 1.975) 9.752 13.822 ( 0.079 1.489 -1.174) 1.897 13.822 ( -0.079 1.489 1.174) 1.897 14.601 ( 0.853 -0.183 -0.388) 0.954 14.601 ( -0.853 -0.183 0.388) 0.954 14.713 ( -1.082 -4.217 -1.874) 4.740 14.713 ( 1.082 -4.217 1.874) 4.740 15.129 ( -6.455 -4.600 -4.547) 9.138 15.129 ( 6.455 -4.600 4.547) 9.138 15.436 ( -2.910 -2.295 -18.824) 19.185 15.436 ( 2.910 -2.295 18.824) 19.185 15.583 ( -2.084 2.774 -8.168) 8.875 15.583 ( 2.084 2.774 8.168) 8.875 16.212 ( -22.628 -4.640 -2.449) 23.229 16.212 ( 22.628 -4.640 2.449) 23.229 17.804 ( 1.183 2.262 -5.775) 6.314 17.804 ( -1.183 2.262 5.775) 6.314 18.038 ( 0.821 1.128 -2.104) 2.524 18.038 ( -0.821 1.128 2.104) 2.524 18.134 ( 1.863 -1.487 -1.575) 2.857 18.134 ( -1.863 -1.487 1.575) 2.857 18.391 ( 3.340 4.269 -2.816) 6.108 18.391 ( -3.340 4.269 2.816) 6.108 18.623 ( -0.947 -4.346 -1.702) 4.762 18.623 ( 0.947 -4.346 1.702) 4.762 18.927 ( -5.068 3.981 -0.844) 6.500 18.927 ( 5.068 3.981 0.844) 6.500 21.168 ( -1.855 0.565 -1.087) 2.223 21.168 ( 1.855 0.565 1.087) 2.223 21.808 ( 4.596 -1.636 -4.031) 6.328 21.808 ( -4.596 -1.636 4.031) 6.328 22.673 ( -1.979 -1.061 -3.054) 3.790 22.673 ( 1.979 -1.061 3.054) 3.790 22.936 ( 0.706 -2.463 -2.530) 3.600 22.936 ( -0.706 -2.463 2.530) 3.600 23.024 ( 1.810 0.520 -1.980) 2.732 23.024 ( -1.810 0.520 1.980) 2.732 23.253 ( -2.872 -3.049 0.484) 4.217 23.253 ( 2.872 -3.049 -0.484) 4.217 ======================= Grid point 133 (59/70) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -7.928 17.702 -14.890) 24.452 1.828 ( 7.928 17.702 14.890) 24.452 2.054 ( 5.979 17.522 -16.879) 25.053 2.054 ( -5.979 17.522 16.879) 25.053 2.506 ( -3.376 -2.312 -9.869) 10.684 2.506 ( 3.376 -2.312 9.869) 10.684 2.668 ( -1.352 0.921 0.000) 1.635 2.668 ( 1.352 0.921 -0.000) 1.635 2.937 ( -4.470 3.032 -0.997) 5.493 2.937 ( 4.470 3.032 0.997) 5.493 3.053 ( -5.683 3.667 -7.080) 9.791 3.053 ( 5.683 3.667 7.080) 9.791 3.227 ( -0.219 9.058 -5.535) 10.618 3.227 ( 0.219 9.058 5.535) 10.618 3.486 ( -2.120 -0.410 -8.547) 8.816 3.486 ( 2.120 -0.410 8.547) 8.816 3.549 ( -2.227 8.502 -4.911) 10.068 3.549 ( 2.227 8.502 4.911) 10.068 3.618 ( 0.338 0.003 -6.230) 6.240 3.618 ( -0.338 0.003 6.230) 6.240 3.718 ( -0.161 2.239 -3.048) 3.785 3.718 ( 0.161 2.239 3.048) 3.785 3.848 ( 3.794 -1.442 -5.201) 6.597 3.848 ( -3.794 -1.442 5.201) 6.597 3.994 ( 4.485 -5.640 -3.154) 7.866 3.994 ( -4.485 -5.640 3.154) 7.866 4.216 ( -2.405 -0.393 -4.990) 5.553 4.216 ( 2.405 -0.393 4.990) 5.553 4.352 ( 0.840 4.283 -7.205) 8.424 4.352 ( -0.840 4.283 7.205) 8.424 4.544 ( 5.696 1.043 -8.204) 10.042 4.544 ( -5.696 1.043 8.204) 10.042 4.696 ( -12.247 -2.783 -2.047) 12.725 4.696 ( 12.247 -2.783 2.047) 12.725 4.765 ( -12.187 -9.413 -3.618) 15.818 4.765 ( 12.187 -9.413 3.618) 15.818 4.918 ( -4.191 -1.849 -6.896) 8.279 4.918 ( 4.191 -1.849 6.896) 8.279 5.059 ( -10.209 -3.378 1.305) 10.832 5.059 ( 10.209 -3.378 -1.305) 10.832 5.248 ( -1.903 -8.075 -1.374) 8.409 5.248 ( 1.903 -8.075 1.374) 8.409 5.330 ( -5.039 -4.990 -1.445) 7.237 5.330 ( 5.039 -4.990 1.445) 7.237 5.501 ( -1.224 -2.304 -11.905) 12.187 5.501 ( 1.224 -2.304 11.905) 12.187 5.745 ( -2.301 -0.985 -8.311) 8.680 5.745 ( 2.301 -0.985 8.311) 8.680 5.823 ( 3.454 -1.881 -7.646) 8.598 5.823 ( -3.454 -1.881 7.646) 8.598 5.905 ( -1.967 -11.539 -3.734) 12.286 5.905 ( 1.967 -11.539 3.734) 12.286 6.073 ( -4.279 0.216 -3.859) 5.766 6.073 ( 4.279 0.216 3.859) 5.766 6.164 ( 6.024 -4.381 -3.811) 8.367 6.164 ( -6.024 -4.381 3.811) 8.367 6.418 ( -2.340 -2.236 -0.951) 3.373 6.418 ( 2.340 -2.236 0.951) 3.373 6.596 ( -1.084 -6.057 -1.265) 6.282 6.596 ( 1.084 -6.057 1.265) 6.282 6.717 ( -5.931 2.132 -7.554) 9.838 6.717 ( 5.931 2.132 7.554) 9.838 6.765 ( -5.597 -3.944 -3.234) 7.572 6.765 ( 5.597 -3.944 3.234) 7.572 7.007 ( -3.464 1.197 -2.050) 4.199 7.007 ( 3.464 1.197 2.050) 4.199 7.103 ( -6.679 1.020 -3.985) 7.844 7.103 ( 6.679 1.020 3.985) 7.844 7.217 ( 1.057 4.257 -0.696) 4.441 7.217 ( -1.057 4.257 0.696) 4.441 7.301 ( -2.126 1.049 -3.945) 4.603 7.301 ( 2.126 1.049 3.945) 4.603 7.426 ( -2.188 0.540 -5.275) 5.737 7.426 ( 2.188 0.540 5.275) 5.737 7.637 ( -3.639 0.488 -0.536) 3.710 7.637 ( 3.639 0.488 0.536) 3.710 7.767 ( 6.748 -5.423 -3.341) 9.279 7.767 ( -6.748 -5.423 3.341) 9.279 7.918 ( -5.878 -9.158 -9.336) 14.338 7.918 ( 5.878 -9.158 9.336) 14.338 8.016 ( -4.343 -0.921 -5.025) 6.706 8.016 ( 4.343 -0.921 5.025) 6.706 8.207 ( 0.774 0.809 -2.803) 3.018 8.207 ( -0.774 0.809 2.803) 3.018 8.388 ( -8.797 0.594 -0.995) 8.873 8.388 ( 8.797 0.594 0.995) 8.873 8.514 ( -1.923 6.100 -2.983) 7.057 8.514 ( 1.923 6.100 2.983) 7.057 8.791 ( -2.102 -1.153 -7.519) 7.892 8.791 ( 2.102 -1.153 7.519) 7.892 8.882 ( -7.629 -0.263 -6.961) 10.331 8.882 ( 7.629 -0.263 6.961) 10.331 8.991 ( -2.356 2.853 -2.360) 4.388 8.991 ( 2.356 2.853 2.360) 4.388 9.229 ( -2.748 2.073 -1.838) 3.902 9.229 ( 2.748 2.073 1.838) 3.902 9.390 ( -1.831 0.354 -4.439) 4.814 9.390 ( 1.831 0.354 4.439) 4.814 9.515 ( 1.351 1.177 -5.651) 5.928 9.515 ( -1.351 1.177 5.651) 5.928 9.712 ( -1.297 10.702 -6.711) 12.698 9.712 ( 1.297 10.702 6.711) 12.698 9.943 ( 3.123 7.554 -2.766) 8.629 9.943 ( -3.123 7.554 2.766) 8.629 10.206 ( -3.724 11.943 -2.305) 12.721 10.206 ( 3.724 11.943 2.305) 12.721 10.324 ( -0.174 -5.604 -5.322) 7.731 10.324 ( 0.174 -5.604 5.322) 7.731 10.439 ( 1.033 5.434 -7.397) 9.237 10.439 ( -1.033 5.434 7.397) 9.237 10.587 ( 3.105 -4.154 -2.116) 5.601 10.587 ( -3.105 -4.154 2.116) 5.601 10.818 ( -6.731 -1.892 -2.789) 7.527 10.818 ( 6.731 -1.892 2.789) 7.527 11.074 ( -1.732 2.321 -3.551) 4.582 11.074 ( 1.732 2.321 3.551) 4.582 11.172 ( 4.390 -4.687 -4.733) 7.978 11.172 ( -4.390 -4.687 4.733) 7.978 11.540 ( -1.339 -1.636 -7.828) 8.108 11.540 ( 1.339 -1.636 7.828) 8.108 11.613 ( -1.984 -1.991 -4.210) 5.062 11.613 ( 1.984 -1.991 4.210) 5.062 11.742 ( 2.561 -6.309 -4.261) 8.033 11.742 ( -2.561 -6.309 4.261) 8.033 11.816 ( -1.360 -4.131 -0.582) 4.387 11.816 ( 1.360 -4.131 0.582) 4.387 12.136 ( 0.355 -2.545 -2.912) 3.884 12.136 ( -0.355 -2.545 2.912) 3.884 12.486 ( -1.283 -7.920 -1.246) 8.119 12.486 ( 1.283 -7.920 1.246) 8.119 12.516 ( 0.855 -4.790 -3.128) 5.784 12.516 ( -0.855 -4.790 3.128) 5.784 13.106 ( 3.215 7.533 -9.100) 12.243 13.106 ( -3.215 7.533 9.100) 12.243 13.372 ( -1.724 3.497 -3.769) 5.422 13.372 ( 1.724 3.497 3.769) 5.422 13.458 ( 2.077 5.847 -3.472) 7.110 13.458 ( -2.077 5.847 3.472) 7.110 13.683 ( 0.178 6.390 -3.728) 7.400 13.683 ( -0.178 6.390 3.728) 7.400 13.817 ( -1.568 5.068 -1.149) 5.428 13.817 ( 1.568 5.068 1.149) 5.428 13.862 ( 0.307 3.761 -2.437) 4.492 13.862 ( -0.307 3.761 2.437) 4.492 14.399 ( -1.122 0.600 -2.697) 2.982 14.399 ( 1.122 0.600 2.697) 2.982 14.545 ( 0.257 0.205 -2.271) 2.295 14.545 ( -0.257 0.205 2.271) 2.295 14.964 ( -0.773 6.184 -1.412) 6.390 14.964 ( 0.773 6.184 1.412) 6.390 15.346 ( 1.866 -4.201 -2.937) 5.455 15.346 ( -1.866 -4.201 2.937) 5.455 15.509 ( 0.163 2.626 -3.800) 4.622 15.509 ( -0.163 2.626 3.800) 4.622 16.593 ( 0.859 -29.882 -8.675) 31.128 16.593 ( -0.859 -29.882 8.675) 31.128 17.806 ( -5.178 4.772 -0.788) 7.086 17.806 ( 5.178 4.772 0.788) 7.086 17.905 ( -0.424 3.313 -0.303) 3.353 17.905 ( 0.424 3.313 0.303) 3.353 18.184 ( -4.246 4.690 -0.868) 6.385 18.184 ( 4.246 4.690 0.868) 6.385 18.434 ( 1.685 4.443 -1.605) 5.016 18.434 ( -1.685 4.443 1.605) 5.016 18.743 ( -2.575 2.550 -0.789) 3.709 18.743 ( 2.575 2.550 0.789) 3.709 19.045 ( -3.255 -2.021 -3.323) 5.072 19.045 ( 3.255 -2.021 3.323) 5.072 21.228 ( -2.929 0.498 -12.392) 12.743 21.228 ( 2.929 0.498 12.392) 12.743 21.589 ( 2.158 5.726 -12.833) 14.217 21.589 ( -2.158 5.726 12.833) 14.217 22.732 ( -2.513 -1.294 -1.829) 3.367 22.732 ( 2.513 -1.294 1.829) 3.367 22.864 ( -1.798 -0.953 -1.081) 2.304 22.864 ( 1.798 -0.953 1.081) 2.304 23.046 ( 0.925 -4.558 -1.208) 4.805 23.046 ( -0.925 -4.558 1.208) 4.805 23.185 ( -4.416 -6.609 -3.903) 8.855 23.185 ( 4.416 -6.609 3.903) 8.855 ======================= Grid point 135 (60/70) ======================= q-point: ( 0.17 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 3.300 21.075 -9.219) 23.239 1.918 ( 4.810 20.357 -11.339) 23.793 2.110 ( 4.944 11.182 6.156) 13.688 2.290 ( 6.806 6.138 3.329) 9.751 2.340 ( -2.584 1.138 -1.119) 3.037 2.548 ( -4.214 6.585 4.591) 9.066 2.615 ( -4.439 0.772 5.995) 7.499 2.676 ( -0.310 -1.181 -1.269) 1.761 2.785 ( -7.617 3.010 -5.603) 9.923 2.878 ( -7.224 3.958 -0.939) 8.290 2.998 ( -3.579 0.931 1.074) 3.851 3.187 ( 0.859 3.908 2.355) 4.643 3.235 ( 7.854 17.640 -4.481) 19.822 3.288 ( 3.616 9.075 -2.807) 10.164 3.401 ( -8.528 -4.490 -4.024) 10.444 3.470 ( 5.361 -2.480 -5.599) 8.139 3.517 ( 6.460 10.023 -6.203) 13.442 3.562 ( -6.662 -0.320 4.321) 7.947 3.628 ( 3.604 4.211 2.498) 6.080 3.659 ( -7.001 -0.750 3.363) 7.803 3.713 ( 3.624 -5.377 3.724) 7.477 3.793 ( 0.236 0.140 0.173) 0.325 3.851 ( 2.779 -0.023 0.408) 2.809 3.912 ( 1.899 0.433 1.171) 2.273 4.040 ( 1.023 -2.152 9.646) 9.936 4.083 ( -0.769 -1.403 1.330) 2.081 4.100 ( 5.046 -1.706 -5.361) 7.557 4.262 ( -3.304 3.435 4.532) 6.577 4.275 ( -7.866 -8.765 -3.283) 12.226 4.369 ( 0.263 -4.699 0.977) 4.807 4.466 ( -7.814 -2.834 -0.220) 8.315 4.528 ( 3.050 0.265 2.546) 3.982 4.562 ( -3.366 0.466 6.315) 7.171 4.691 ( 8.259 -3.177 -1.773) 9.025 4.811 ( 4.084 -6.441 1.700) 7.813 4.875 ( 0.765 -9.860 0.450) 9.900 4.937 ( -2.882 -3.341 1.327) 4.608 4.982 ( -3.446 -2.203 -0.736) 4.156 5.042 ( 10.390 -10.798 -1.281) 15.040 5.125 ( -0.051 -7.076 -0.857) 7.128 5.206 ( 5.027 2.073 -2.093) 5.827 5.330 ( -1.774 -2.686 -4.742) 5.731 5.375 ( 9.825 -1.635 2.837) 10.356 5.452 ( 4.633 1.445 -0.353) 4.866 5.488 ( 4.321 -4.214 4.933) 7.796 5.608 ( 6.096 -0.176 0.648) 6.133 5.662 ( -0.456 -1.249 -0.597) 1.457 5.737 ( -3.116 -3.555 -3.562) 5.920 5.778 ( -3.332 -2.039 -5.343) 6.618 5.824 ( -2.880 -4.694 -5.372) 7.694 5.878 ( -2.981 -4.061 3.435) 6.097 5.925 ( 3.162 -6.980 3.085) 8.261 6.074 ( 3.021 -2.385 4.652) 6.038 6.094 ( -1.778 1.571 9.483) 9.775 6.194 ( -1.605 1.462 1.935) 2.908 6.261 ( 0.944 -1.299 -1.866) 2.462 6.323 ( -2.987 -0.974 -9.675) 10.173 6.436 ( 1.990 -4.076 3.581) 5.779 6.490 ( -10.272 -2.563 0.176) 10.588 6.547 ( -2.430 -8.703 -6.324) 11.029 6.565 ( -10.663 -1.240 1.696) 10.868 6.628 ( -2.099 5.031 -2.053) 5.825 6.810 ( 4.395 -5.785 -1.873) 7.503 6.848 ( -4.379 6.811 6.381) 10.310 6.930 ( -8.582 -0.091 -2.479) 8.934 6.967 ( -2.246 -6.439 3.472) 7.652 7.075 ( 0.287 -1.678 0.153) 1.709 7.100 ( 0.836 -3.678 -0.588) 3.817 7.155 ( 0.771 2.018 2.522) 3.321 7.222 ( -5.735 -3.790 -1.675) 7.076 7.297 ( -5.083 0.262 -5.282) 7.335 7.360 ( 1.546 2.792 -5.729) 6.558 7.402 ( 0.846 1.383 -0.157) 1.629 7.524 ( 0.857 -5.110 -1.374) 5.361 7.595 ( 4.139 -3.140 -1.264) 5.347 7.681 ( -0.196 -3.421 -0.992) 3.567 7.752 ( 3.957 0.717 3.279) 5.189 7.777 ( 6.455 -0.548 2.273) 6.865 7.824 ( 2.592 -6.021 4.989) 8.238 7.897 ( -2.223 -6.252 1.114) 6.728 8.043 ( 1.085 2.519 -0.598) 2.807 8.148 ( -5.105 -0.689 -3.260) 6.096 8.223 ( 4.447 -0.573 3.354) 5.600 8.297 ( 6.868 1.076 2.407) 7.357 8.360 ( -6.622 2.259 -5.780) 9.075 8.404 ( 6.798 -2.254 2.448) 7.569 8.496 ( -0.119 2.356 -0.002) 2.359 8.574 ( 0.932 0.827 5.521) 5.660 8.654 ( -4.286 7.681 -1.420) 8.910 8.743 ( -0.767 -7.362 -0.783) 7.444 8.937 ( 3.703 -3.177 5.988) 7.724 8.972 ( -0.633 0.141 0.735) 0.980 9.036 ( 4.165 4.054 2.161) 6.201 9.107 ( 2.216 0.309 5.303) 5.756 9.164 ( -0.651 4.132 -2.795) 5.031 9.247 ( 0.261 -1.669 -5.983) 6.217 9.360 ( 1.303 0.380 4.378) 4.584 9.418 ( -1.445 3.651 3.868) 5.512 9.523 ( 4.295 -1.983 -1.160) 4.871 9.582 ( 3.976 -0.522 -3.313) 5.202 9.655 ( 5.036 12.746 -6.946) 15.364 9.842 ( -5.033 5.614 -0.163) 7.542 9.876 ( 2.294 9.612 -5.258) 11.194 9.916 ( 3.071 7.589 1.396) 8.305 10.142 ( 0.639 9.404 -1.904) 9.616 10.185 ( -3.895 5.982 -3.325) 7.874 10.234 ( -3.492 2.201 -2.210) 4.682 10.317 ( -5.525 -0.238 1.452) 5.718 10.440 ( -5.444 2.136 6.016) 8.389 10.480 ( 2.568 1.011 3.576) 4.517 10.552 ( -1.975 -9.304 -7.622) 12.188 10.647 ( 3.880 -0.240 2.350) 4.542 10.760 ( 1.474 2.640 5.243) 6.052 10.909 ( 2.620 8.727 0.465) 9.123 10.984 ( -5.784 1.981 1.666) 6.337 11.117 ( -2.126 -2.491 -0.537) 3.318 11.170 ( 3.144 2.519 -1.998) 4.497 11.193 ( 0.560 -7.123 1.311) 7.265 11.395 ( -3.649 -1.272 -8.300) 9.155 11.542 ( -0.445 -5.465 -2.864) 6.186 11.580 ( -0.157 4.575 -3.877) 5.999 11.652 ( -0.695 -4.065 2.440) 4.792 11.715 ( -4.076 -4.325 2.057) 6.289 11.807 ( 4.848 -9.447 0.963) 10.662 11.830 ( 4.077 -3.179 -0.734) 5.222 11.883 ( 5.268 -6.209 1.171) 8.226 12.151 ( 1.721 -1.054 2.437) 3.164 12.187 ( 0.722 -5.358 3.032) 6.199 12.384 ( -6.455 -2.664 -1.793) 7.210 12.460 ( -1.847 -9.836 -1.666) 10.146 12.503 ( -4.818 -0.558 2.445) 5.432 12.545 ( 1.239 -9.997 -0.154) 10.075 13.083 ( 3.605 6.864 -5.198) 9.334 13.165 ( -1.411 5.581 6.965) 9.036 13.315 ( 0.584 3.128 -4.794) 5.754 13.407 ( 0.618 2.280 -1.861) 3.007 13.470 ( -1.844 5.047 4.489) 7.002 13.514 ( 4.263 6.345 2.787) 8.136 13.657 ( 1.045 9.736 -2.954) 10.228 13.732 ( 1.001 4.223 2.429) 4.973 13.772 ( -1.618 4.379 1.003) 4.775 13.829 ( 0.016 6.358 -2.118) 6.701 13.846 ( 0.640 3.379 -0.547) 3.482 13.888 ( -0.680 4.705 3.271) 5.770 14.406 ( 3.882 -1.311 -0.133) 4.100 14.483 ( 4.537 -0.552 2.314) 5.122 14.539 ( 2.704 0.102 -2.127) 3.442 14.581 ( 2.535 -2.018 0.281) 3.253 14.955 ( -0.198 4.131 0.882) 4.229 14.980 ( -0.350 5.923 1.755) 6.187 15.294 ( -3.690 -2.402 2.163) 4.905 15.335 ( 1.059 -4.441 -4.860) 6.668 15.555 ( 1.138 -0.623 5.433) 5.586 15.597 ( 9.457 2.942 -1.703) 10.049 16.341 ( -16.076 -19.246 -2.920) 25.246 16.659 ( -4.301 -25.204 -0.951) 25.586 17.727 ( -0.421 5.703 0.324) 5.728 17.893 ( 2.900 1.826 -2.362) 4.161 17.903 ( 0.948 4.351 1.300) 4.639 17.967 ( 6.234 1.432 -0.869) 6.455 18.114 ( -3.110 2.203 0.372) 3.829 18.274 ( 4.309 6.699 0.890) 8.015 18.398 ( -3.850 3.262 1.884) 5.386 18.472 ( 1.964 4.509 0.665) 4.963 18.673 ( -3.945 2.230 -0.665) 4.581 18.748 ( -3.310 0.367 -0.637) 3.391 18.948 ( -2.922 0.053 -1.722) 3.392 19.116 ( 0.514 -0.491 1.712) 1.854 21.084 ( 1.544 -1.037 -9.413) 9.595 21.397 ( 0.931 1.248 -1.821) 2.396 21.484 ( 0.523 4.440 5.703) 7.246 21.728 ( -0.456 0.441 10.985) 11.003 22.657 ( -4.436 -2.306 -0.982) 5.095 22.748 ( -1.191 -0.441 -0.078) 1.273 22.873 ( 2.556 -0.891 -0.045) 2.707 22.921 ( 3.631 -0.859 0.261) 3.740 22.985 ( -4.145 -5.148 -3.055) 7.281 23.021 ( -3.397 -3.430 0.712) 4.879 23.115 ( 3.243 -4.012 -3.407) 6.182 23.253 ( 0.422 -6.078 0.377) 6.104 ======================= Grid point 136 (61/70) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 8.468 10.249 6.038) 14.602 1.919 ( 12.131 13.949 -7.970) 20.131 2.145 ( -7.071 4.069 -5.301) 9.729 2.280 ( 12.706 6.719 -7.414) 16.172 2.471 ( 0.669 1.911 10.682) 10.872 2.529 ( -4.526 6.926 -2.026) 8.518 2.581 ( -6.470 6.334 2.403) 9.368 2.676 ( 6.244 3.716 -6.001) 9.424 2.750 ( 1.180 1.446 4.623) 4.986 2.772 ( -3.271 7.222 9.903) 12.685 2.908 ( -7.436 2.257 1.158) 7.857 3.182 ( -3.641 0.447 1.250) 3.875 3.204 ( -5.200 -1.766 1.658) 5.737 3.255 ( -12.198 1.753 -1.952) 12.477 3.341 ( 8.961 14.689 -8.268) 19.090 3.368 ( -3.363 2.485 -4.071) 5.836 3.521 ( 8.252 -1.541 -8.601) 12.018 3.538 ( -5.308 1.056 2.083) 5.799 3.645 ( 2.472 7.847 -2.453) 8.585 3.660 ( -11.274 -2.106 3.211) 11.910 3.690 ( -1.132 6.583 4.070) 7.822 3.849 ( 5.423 -6.337 0.605) 8.363 3.917 ( 5.594 -1.946 -3.614) 6.939 3.988 ( 8.040 -1.940 -0.636) 8.295 4.019 ( -0.393 1.276 -2.212) 2.583 4.044 ( -0.734 -6.432 -1.038) 6.557 4.198 ( 1.210 -1.519 7.353) 7.605 4.289 ( 3.191 -7.505 -3.007) 8.692 4.305 ( -2.844 -9.099 2.408) 9.833 4.374 ( -0.243 -6.848 -2.014) 7.142 4.429 ( 12.505 -7.336 5.333) 15.448 4.568 ( -0.629 -0.955 3.351) 3.541 4.654 ( 0.646 0.355 2.061) 2.188 4.748 ( 0.043 1.168 -2.061) 2.370 4.885 ( 0.969 -5.857 1.971) 6.255 4.931 ( 4.497 -7.088 2.415) 8.734 4.973 ( -0.994 -3.350 5.890) 6.849 5.005 ( 3.948 -2.401 -1.260) 4.789 5.114 ( -6.928 -5.220 2.765) 9.105 5.169 ( 0.863 -8.290 7.073) 10.931 5.194 ( -4.446 2.971 5.023) 7.336 5.342 ( -0.140 0.629 -9.176) 9.199 5.380 ( 2.528 -5.489 0.512) 6.065 5.466 ( -3.382 5.794 -7.326) 9.934 5.506 ( 0.049 -6.614 0.048) 6.615 5.563 ( 1.733 -4.380 -2.030) 5.129 5.626 ( 3.269 4.153 -11.279) 12.456 5.679 ( -4.390 -4.747 -2.419) 6.903 5.730 ( -4.880 -0.336 -0.508) 4.918 5.807 ( 2.564 3.090 4.389) 5.949 5.926 ( 4.411 -4.913 -3.422) 7.437 6.003 ( 3.102 -3.325 5.041) 6.789 6.029 ( -13.054 2.579 -1.893) 13.440 6.107 ( -4.259 0.200 4.464) 6.173 6.198 ( 1.067 -4.241 -4.506) 6.279 6.215 ( 3.380 -2.432 3.452) 5.409 6.312 ( 5.574 2.007 7.561) 9.606 6.350 ( 0.984 -1.352 -6.573) 6.783 6.428 ( -3.173 0.282 1.118) 3.376 6.496 ( -5.254 -2.213 4.859) 7.491 6.528 ( -1.727 5.032 2.402) 5.837 6.653 ( 7.971 -5.447 1.924) 9.844 6.719 ( -6.623 -0.747 -5.761) 8.809 6.810 ( -1.724 -2.202 0.693) 2.881 6.851 ( -4.256 7.188 4.859) 9.664 6.936 ( -2.624 -9.093 -2.061) 9.686 7.050 ( -4.439 -3.070 -4.356) 6.935 7.092 ( 2.894 -5.359 3.423) 6.987 7.122 ( -2.721 -3.852 -7.546) 8.898 7.189 ( -3.814 -0.797 -12.609) 13.198 7.207 ( -2.868 4.833 3.322) 6.528 7.289 ( -0.582 -0.130 5.267) 5.301 7.366 ( -1.566 -0.106 -0.360) 1.610 7.500 ( 2.209 -3.516 4.182) 5.893 7.596 ( 1.066 1.489 -4.256) 4.633 7.693 ( -2.845 1.680 -3.833) 5.061 7.822 ( -4.556 -0.033 -3.354) 5.658 7.843 ( -1.888 -1.443 -0.056) 2.377 7.882 ( -0.548 -14.338 5.664) 15.426 8.041 ( 8.012 -0.724 -2.561) 8.443 8.073 ( 4.175 3.398 4.462) 6.991 8.123 ( 7.323 -0.352 8.362) 11.121 8.253 ( 3.411 2.067 -1.564) 4.284 8.280 ( 0.033 -6.264 0.548) 6.288 8.380 ( -3.151 3.261 2.787) 5.323 8.432 ( -1.562 -4.706 2.590) 5.594 8.555 ( 5.143 -0.673 -0.163) 5.190 8.640 ( 3.126 -1.128 -0.007) 3.323 8.678 ( 4.197 0.165 1.836) 4.583 8.837 ( 0.905 2.254 1.821) 3.036 8.907 ( -1.288 -2.892 0.618) 3.225 8.958 ( -4.817 1.867 -2.579) 5.774 9.059 ( 1.410 -7.781 3.873) 8.805 9.097 ( -0.871 -1.930 -10.200) 10.417 9.206 ( 2.029 0.755 0.234) 2.177 9.237 ( 0.545 2.318 7.092) 7.482 9.342 ( -5.912 5.776 -4.606) 9.462 9.458 ( 2.197 -0.768 1.858) 2.978 9.533 ( 0.938 -5.732 -2.905) 6.494 9.639 ( 1.783 5.816 -2.101) 6.436 9.689 ( -0.696 4.575 -3.569) 5.845 9.772 ( 10.398 2.180 -3.030) 11.048 9.860 ( 0.423 1.762 0.742) 1.958 10.020 ( -2.509 1.005 -3.821) 4.680 10.079 ( -1.606 3.771 2.820) 4.975 10.097 ( 0.095 5.287 -1.152) 5.412 10.242 ( -0.355 5.844 4.553) 7.417 10.259 ( -1.381 2.246 2.546) 3.665 10.347 ( 0.712 9.749 -4.851) 10.913 10.501 ( -2.393 -2.327 3.245) 4.655 10.594 ( 1.643 4.828 -0.347) 5.112 10.675 ( -5.200 4.595 1.223) 7.046 10.793 ( -2.078 -1.458 3.556) 4.369 10.920 ( 1.386 9.227 -3.385) 9.925 10.959 ( 2.163 8.373 0.064) 8.648 11.099 ( -0.863 -4.158 2.129) 4.751 11.186 ( 1.778 8.415 -0.942) 8.653 11.263 ( 1.129 -6.386 2.204) 6.850 11.288 ( 2.082 -6.595 1.019) 6.990 11.450 ( -3.312 -1.888 -5.142) 6.401 11.572 ( -0.127 1.123 -0.096) 1.134 11.590 ( -4.506 1.728 -2.505) 5.437 11.719 ( 0.641 -6.580 1.932) 6.888 11.838 ( -0.067 0.811 -0.803) 1.143 11.936 ( 6.414 -10.316 -0.319) 12.152 11.999 ( 6.250 -9.392 -0.136) 11.282 12.189 ( -2.850 -4.517 1.484) 5.543 12.217 ( -0.006 -2.557 2.654) 3.686 12.253 ( -3.395 -1.926 -2.861) 4.840 12.396 ( -4.007 -3.221 -1.906) 5.483 12.471 ( -0.795 -6.455 2.451) 6.950 12.534 ( -1.931 -10.220 0.375) 10.408 13.094 ( 2.741 4.427 -2.187) 5.647 13.200 ( -0.107 4.535 -0.194) 4.541 13.274 ( 0.143 3.294 -1.537) 3.637 13.386 ( -1.125 3.859 -1.560) 4.312 13.489 ( -0.185 4.735 1.919) 5.113 13.607 ( 1.661 4.193 1.788) 4.852 13.624 ( 1.278 7.624 -2.551) 8.140 13.771 ( 0.394 4.686 2.140) 5.167 13.791 ( -0.917 3.473 0.420) 3.616 13.830 ( 1.465 7.303 3.468) 8.216 13.842 ( 0.725 4.679 -2.229) 5.234 13.910 ( -0.292 6.330 1.139) 6.439 14.497 ( 4.365 -3.259 1.965) 5.791 14.571 ( 2.721 -0.321 0.628) 2.811 14.583 ( 3.985 -1.777 -0.998) 4.475 14.630 ( 0.908 -6.416 1.397) 6.629 14.954 ( 0.868 0.187 1.787) 1.996 15.074 ( 3.563 1.988 5.398) 6.767 15.224 ( -2.599 -3.259 2.108) 4.671 15.381 ( 5.938 -2.327 -1.417) 6.533 15.590 ( -1.230 1.092 1.271) 2.079 15.807 ( 15.304 -1.099 0.694) 15.359 15.988 ( -17.573 -4.651 -7.908) 19.824 16.443 ( -16.605 -11.589 -2.308) 20.381 17.784 ( 3.246 1.964 2.555) 4.574 17.889 ( 1.262 2.244 -3.970) 4.732 17.974 ( 6.117 2.749 0.672) 6.740 18.043 ( 3.930 1.350 -1.938) 4.585 18.091 ( -0.969 0.506 1.702) 2.023 18.277 ( -5.114 6.297 -1.984) 8.351 18.392 ( 2.604 -0.074 1.544) 3.029 18.503 ( -0.465 4.589 1.852) 4.971 18.602 ( -3.069 2.958 -1.436) 4.497 18.644 ( -6.717 -1.959 0.833) 7.046 18.927 ( 1.437 2.000 0.175) 2.469 19.093 ( -2.894 2.713 -1.989) 4.437 21.075 ( 4.696 -2.566 -2.075) 5.739 21.286 ( -3.409 1.862 -5.950) 7.106 21.644 ( 5.912 -1.537 4.108) 7.362 21.794 ( -5.567 -3.631 8.862) 11.077 22.595 ( -1.758 -1.815 2.009) 3.228 22.720 ( -1.289 -1.118 -2.509) 3.034 22.865 ( -1.138 -4.263 -1.025) 4.530 22.911 ( -2.252 -2.752 -0.005) 3.556 22.991 ( 2.511 -0.585 -0.923) 2.738 23.018 ( 3.120 -0.045 0.561) 3.170 23.145 ( 2.740 -3.378 -1.402) 4.570 23.228 ( -2.752 -4.874 -0.084) 5.598 ======================= Grid point 137 (62/70) ======================= q-point: (-0.50 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -2.647 0.673 -7.035) 7.546 1.895 ( 2.647 0.673 7.035) 7.546 2.250 ( -18.057 13.007 0.309) 22.257 2.250 ( 18.057 13.007 -0.309) 22.257 2.418 ( -3.228 7.354 0.262) 8.036 2.418 ( 3.228 7.354 -0.262) 8.036 2.708 ( 4.112 6.775 -5.184) 9.470 2.708 ( -4.112 6.775 5.184) 9.470 2.806 ( -1.167 0.995 -4.662) 4.908 2.806 ( 1.167 0.995 4.662) 4.908 2.948 ( -8.729 -0.090 -8.298) 12.044 2.948 ( 8.729 -0.090 8.298) 12.044 3.178 ( 2.298 -2.151 -1.764) 3.608 3.178 ( -2.298 -2.151 1.764) 3.608 3.320 ( 0.046 7.752 -3.455) 8.487 3.320 ( -0.046 7.752 3.455) 8.487 3.558 ( -1.608 -2.279 -1.707) 3.270 3.558 ( 1.608 -2.279 1.707) 3.270 3.582 ( 2.602 1.271 -6.731) 7.327 3.582 ( -2.602 1.271 6.731) 7.327 3.780 ( -3.620 2.044 -5.935) 7.246 3.780 ( 3.620 2.044 5.935) 7.246 3.995 ( -2.962 -5.615 -2.575) 6.850 3.995 ( 2.962 -5.615 2.575) 6.850 4.116 ( -2.896 -11.827 -4.864) 13.112 4.116 ( 2.896 -11.827 4.864) 13.112 4.186 ( -12.763 7.881 -0.854) 15.024 4.186 ( 12.763 7.881 0.854) 15.024 4.380 ( -3.296 -3.973 -1.565) 5.394 4.380 ( 3.296 -3.973 1.565) 5.394 4.615 ( -0.868 -0.337 -3.324) 3.452 4.615 ( 0.868 -0.337 3.324) 3.452 4.783 ( -15.339 -10.462 -4.600) 19.128 4.783 ( 15.339 -10.462 4.600) 19.128 4.833 ( -7.234 3.129 -4.182) 8.923 4.833 ( 7.234 3.129 4.182) 8.923 4.947 ( -0.347 -2.330 -1.937) 3.050 4.947 ( 0.347 -2.330 1.937) 3.050 5.122 ( -2.508 -1.188 -4.248) 5.074 5.122 ( 2.508 -1.188 4.248) 5.074 5.247 ( 1.401 -7.342 -4.589) 8.771 5.247 ( -1.401 -7.342 4.589) 8.771 5.420 ( -1.625 1.498 -4.750) 5.239 5.420 ( 1.625 1.498 4.750) 5.239 5.560 ( 0.204 -3.812 -2.984) 4.845 5.560 ( -0.204 -3.812 2.984) 4.845 5.613 ( -2.974 -3.398 -1.856) 4.882 5.613 ( 2.974 -3.398 1.856) 4.882 5.759 ( -6.106 -2.973 -3.629) 7.700 5.759 ( 6.106 -2.973 3.629) 7.700 5.858 ( -4.239 -0.782 -2.644) 5.057 5.858 ( 4.239 -0.782 2.644) 5.057 6.148 ( 4.287 0.918 -6.637) 7.954 6.148 ( -4.287 0.918 6.637) 7.954 6.226 ( -2.159 0.493 -10.507) 10.738 6.226 ( 2.159 0.493 10.507) 10.738 6.332 ( -1.425 -1.774 -5.495) 5.947 6.332 ( 1.425 -1.774 5.495) 5.947 6.518 ( -2.303 3.587 -4.474) 6.179 6.518 ( 2.303 3.587 4.474) 6.179 6.595 ( -1.627 -4.137 -1.292) 4.629 6.595 ( 1.627 -4.137 1.292) 4.629 6.737 ( 0.043 -2.709 -7.260) 7.749 6.737 ( -0.043 -2.709 7.260) 7.749 6.904 ( -0.212 5.259 -9.394) 10.768 6.904 ( 0.212 5.259 9.394) 10.768 6.971 ( 0.992 -5.638 -2.523) 6.256 6.971 ( -0.992 -5.638 2.523) 6.256 7.055 ( -6.396 2.043 -0.249) 6.719 7.055 ( 6.396 2.043 0.249) 6.719 7.273 ( -5.249 -1.386 -2.640) 6.037 7.273 ( 5.249 -1.386 2.640) 6.037 7.489 ( -5.539 0.499 -8.106) 9.831 7.489 ( 5.539 0.499 8.106) 9.831 7.599 ( 2.368 -1.699 -2.068) 3.573 7.599 ( -2.368 -1.699 2.068) 3.573 7.747 ( 0.343 1.061 -1.078) 1.551 7.747 ( -0.343 1.061 1.078) 1.551 7.982 ( -2.862 -8.470 -6.628) 11.129 7.982 ( 2.862 -8.470 6.628) 11.129 8.234 ( 0.307 -0.650 -3.133) 3.215 8.234 ( -0.307 -0.650 3.133) 3.215 8.322 ( 0.614 2.336 -4.295) 4.928 8.322 ( -0.614 2.336 4.295) 4.928 8.435 ( -1.578 -1.808 -9.760) 10.051 8.435 ( 1.578 -1.808 9.760) 10.051 8.566 ( -1.068 -1.915 -7.407) 7.725 8.566 ( 1.068 -1.915 7.407) 7.725 8.788 ( -1.332 -1.330 -3.335) 3.830 8.788 ( 1.332 -1.330 3.335) 3.830 8.907 ( -6.966 -1.101 -5.058) 8.679 8.907 ( 6.966 -1.101 5.058) 8.679 9.092 ( -5.987 -6.545 -4.287) 9.852 9.092 ( 5.987 -6.545 4.287) 9.852 9.184 ( -1.149 6.818 -2.885) 7.492 9.184 ( 1.149 6.818 2.885) 7.492 9.427 ( -5.173 -2.991 -10.238) 11.854 9.427 ( 5.173 -2.991 10.238) 11.854 9.542 ( 0.709 -0.209 -4.030) 4.098 9.542 ( -0.709 -0.209 4.030) 4.098 9.724 ( 3.357 0.031 -4.335) 5.483 9.724 ( -3.357 0.031 4.335) 5.483 10.001 ( -7.142 2.758 -0.215) 7.659 10.001 ( 7.142 2.758 0.215) 7.659 10.045 ( -2.874 1.777 -2.682) 4.314 10.045 ( 2.874 1.777 2.682) 4.314 10.295 ( 0.150 6.450 -1.721) 6.678 10.295 ( -0.150 6.450 1.721) 6.678 10.417 ( -10.802 5.827 -0.832) 12.302 10.417 ( 10.802 5.827 0.832) 12.302 10.580 ( 2.298 4.139 -2.179) 5.212 10.580 ( -2.298 4.139 2.179) 5.212 10.863 ( -0.141 9.030 -6.520) 11.139 10.863 ( 0.141 9.030 6.520) 11.139 11.036 ( -5.838 -0.083 0.694) 5.880 11.036 ( 5.838 -0.083 -0.694) 5.880 11.263 ( 6.020 1.690 -2.852) 6.872 11.263 ( -6.020 1.690 2.852) 6.872 11.377 ( 1.995 -5.540 -4.078) 7.163 11.377 ( -1.995 -5.540 4.078) 7.163 11.527 ( 1.697 -0.941 -3.704) 4.181 11.527 ( -1.697 -0.941 3.704) 4.181 11.786 ( -3.004 2.023 -2.934) 4.661 11.786 ( 3.004 2.023 2.934) 4.661 12.018 ( -3.253 -10.216 -0.189) 10.724 12.018 ( 3.253 -10.216 0.189) 10.724 12.180 ( 0.483 -4.021 -3.093) 5.096 12.180 ( -0.483 -4.021 3.093) 5.096 12.294 ( -3.781 -2.342 -3.348) 5.567 12.294 ( 3.781 -2.342 3.348) 5.567 12.503 ( -0.773 -9.328 -0.683) 9.384 12.503 ( 0.773 -9.328 0.683) 9.384 13.142 ( -1.973 2.664 -2.550) 4.182 13.142 ( 1.973 2.664 2.550) 4.182 13.321 ( -3.313 6.147 -1.977) 7.257 13.321 ( 3.313 6.147 1.977) 7.257 13.540 ( -1.815 4.212 -3.119) 5.547 13.540 ( 1.815 4.212 3.119) 5.547 13.720 ( -3.863 4.570 -2.073) 6.333 13.720 ( 3.863 4.570 2.073) 6.333 13.821 ( 0.558 3.803 -3.163) 4.978 13.821 ( -0.558 3.803 3.163) 4.978 13.892 ( -0.931 7.635 -2.472) 8.078 13.892 ( 0.931 7.635 2.472) 8.078 14.573 ( -1.667 -2.934 -1.683) 3.771 14.573 ( 1.667 -2.934 1.683) 3.771 14.627 ( 2.407 -3.310 -1.705) 4.433 14.627 ( -2.407 -3.310 1.705) 4.433 15.039 ( -4.350 -3.573 -3.185) 6.468 15.039 ( 4.350 -3.573 3.185) 6.468 15.385 ( -0.782 -2.240 -12.894) 13.110 15.385 ( 0.782 -2.240 12.894) 13.110 15.643 ( -8.297 2.984 -5.459) 10.371 15.643 ( 8.297 2.984 5.459) 10.371 16.112 ( -17.870 -4.604 -2.455) 18.616 16.112 ( 17.870 -4.604 2.455) 18.616 17.853 ( 0.570 2.233 -4.988) 5.495 17.853 ( -0.570 2.233 4.988) 5.495 18.063 ( 0.785 1.015 -1.542) 2.006 18.063 ( -0.785 1.015 1.542) 2.006 18.140 ( -6.452 2.711 -1.598) 7.179 18.140 ( 6.452 2.711 1.598) 7.179 18.468 ( -5.077 -0.736 0.978) 5.223 18.468 ( 5.077 -0.736 -0.978) 5.223 18.576 ( 2.407 3.047 -2.861) 4.824 18.576 ( -2.407 3.047 2.861) 4.824 18.996 ( -3.773 3.227 -3.231) 5.923 18.996 ( 3.773 3.227 3.231) 5.923 21.166 ( -4.166 -1.320 -3.626) 5.678 21.166 ( 4.166 -1.320 3.626) 5.678 21.755 ( 4.348 -3.331 -4.957) 7.388 21.755 ( -4.348 -3.331 4.957) 7.388 22.644 ( -1.976 -1.624 -4.417) 5.104 22.644 ( 1.976 -1.624 4.417) 5.104 22.867 ( 0.321 -4.005 -1.278) 4.216 22.867 ( -0.321 -4.005 1.278) 4.216 23.036 ( 1.583 0.624 -1.336) 2.163 23.036 ( -1.583 0.624 1.336) 2.163 23.179 ( -3.106 -4.000 0.849) 5.135 23.179 ( 3.106 -4.000 -0.849) 5.135 ======================= Grid point 141 (63/70) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -9.557 11.583 -3.234) 15.361 2.150 ( 9.557 11.583 3.234) 15.361 2.354 ( 0.510 9.337 -7.391) 11.919 2.354 ( -0.510 9.337 7.391) 11.919 2.502 ( 2.988 3.905 -12.071) 13.034 2.502 ( -2.988 3.905 12.071) 13.034 2.635 ( 4.782 -1.462 -8.374) 9.754 2.635 ( -4.782 -1.462 8.374) 9.754 2.942 ( -4.697 1.498 -6.096) 7.840 2.942 ( 4.697 1.498 6.096) 7.840 3.121 ( -8.732 0.981 -0.661) 8.812 3.121 ( 8.732 0.981 0.661) 8.812 3.245 ( -3.168 -4.958 -3.839) 7.025 3.245 ( 3.168 -4.958 3.839) 7.025 3.410 ( 0.233 -2.329 -3.071) 3.861 3.410 ( -0.233 -2.329 3.071) 3.861 3.603 ( 0.428 -0.215 -1.546) 1.619 3.603 ( -0.428 -0.215 1.546) 1.619 3.676 ( -11.167 1.371 0.703) 11.273 3.676 ( 11.167 1.371 -0.703) 11.273 3.725 ( -6.282 -2.247 -0.095) 6.672 3.725 ( 6.282 -2.247 0.095) 6.672 3.856 ( -0.678 2.435 -0.623) 2.603 3.856 ( 0.678 2.435 0.623) 2.603 4.043 ( -4.665 6.548 -2.372) 8.382 4.043 ( 4.665 6.548 2.372) 8.382 4.219 ( 1.104 -2.368 -1.554) 3.040 4.219 ( -1.104 -2.368 1.554) 3.040 4.373 ( -2.084 -4.203 -6.045) 7.652 4.373 ( 2.084 -4.203 6.045) 7.652 4.467 ( -1.121 -8.623 -2.587) 9.073 4.467 ( 1.121 -8.623 2.587) 9.073 4.647 ( 7.266 -4.155 -6.055) 10.330 4.647 ( -7.266 -4.155 6.055) 10.330 4.682 ( -5.915 -5.542 -1.602) 8.262 4.682 ( 5.915 -5.542 1.602) 8.262 4.914 ( -13.190 6.973 1.436) 14.989 4.914 ( 13.190 6.973 -1.436) 14.989 4.999 ( -10.142 3.129 -5.099) 11.775 4.999 ( 10.142 3.129 5.099) 11.775 5.156 ( -1.676 -2.031 -7.536) 7.983 5.156 ( 1.676 -2.031 7.536) 7.983 5.324 ( -6.265 -0.499 -6.978) 9.391 5.324 ( 6.265 -0.499 6.978) 9.391 5.451 ( -1.836 1.747 -1.203) 2.805 5.451 ( 1.836 1.747 1.203) 2.805 5.654 ( 1.873 -7.498 -10.210) 12.805 5.654 ( -1.873 -7.498 10.210) 12.805 5.733 ( 3.164 0.346 -4.979) 5.909 5.733 ( -3.164 0.346 4.979) 5.909 5.816 ( 0.345 -2.622 -5.201) 5.835 5.816 ( -0.345 -2.622 5.201) 5.835 6.039 ( -5.878 -4.371 -0.728) 7.361 6.039 ( 5.878 -4.371 0.728) 7.361 6.107 ( 6.925 -1.494 -5.773) 9.139 6.107 ( -6.925 -1.494 5.773) 9.139 6.332 ( -0.190 -3.013 -2.540) 3.945 6.332 ( 0.190 -3.013 2.540) 3.945 6.493 ( -3.861 -3.806 -5.196) 7.510 6.493 ( 3.861 -3.806 5.196) 7.510 6.682 ( 2.442 -1.399 -4.178) 5.038 6.682 ( -2.442 -1.399 4.178) 5.038 6.721 ( -4.511 -0.741 -3.007) 5.472 6.721 ( 4.511 -0.741 3.007) 5.472 6.994 ( -3.289 -1.138 -1.261) 3.701 6.994 ( 3.289 -1.138 1.261) 3.701 7.141 ( -8.602 1.245 -0.229) 8.694 7.141 ( 8.602 1.245 0.229) 8.694 7.260 ( 0.181 0.283 -4.180) 4.193 7.260 ( -0.181 0.283 4.180) 4.193 7.300 ( -1.508 1.318 -4.832) 5.231 7.300 ( 1.508 1.318 4.832) 5.231 7.512 ( -1.163 -2.214 -2.409) 3.472 7.512 ( 1.163 -2.214 2.409) 3.472 7.586 ( -2.793 -4.802 -15.196) 16.179 7.586 ( 2.793 -4.802 15.196) 16.179 7.671 ( -6.533 0.680 -2.695) 7.100 7.671 ( 6.533 0.680 2.695) 7.100 7.842 ( -7.041 -0.426 -5.591) 9.001 7.842 ( 7.041 -0.426 5.591) 9.001 8.025 ( -6.106 0.249 -2.910) 6.768 8.025 ( 6.106 0.249 2.910) 6.768 8.244 ( 1.961 0.930 -3.042) 3.737 8.244 ( -1.961 0.930 3.042) 3.737 8.418 ( -3.662 0.929 -2.314) 4.431 8.418 ( 3.662 0.929 2.314) 4.431 8.472 ( 1.850 -4.505 -5.670) 7.475 8.472 ( -1.850 -4.505 5.670) 7.475 8.722 ( -3.962 2.066 -0.875) 4.554 8.722 ( 3.962 2.066 0.875) 4.554 8.922 ( -4.159 -1.669 -2.773) 5.270 8.922 ( 4.159 -1.669 2.773) 5.270 9.142 ( 0.428 6.714 -5.520) 8.702 9.142 ( -0.428 6.714 5.520) 8.702 9.196 ( 1.189 -0.734 -1.888) 2.348 9.196 ( -1.189 -0.734 1.888) 2.348 9.351 ( -1.031 -2.517 -3.127) 4.145 9.351 ( 1.031 -2.517 3.127) 4.145 9.577 ( -0.057 3.329 -3.231) 4.639 9.577 ( 0.057 3.329 3.231) 4.639 9.924 ( 1.328 6.425 -7.374) 9.870 9.924 ( -1.328 6.425 7.374) 9.870 10.029 ( 0.719 0.360 -1.602) 1.792 10.029 ( -0.719 0.360 1.602) 1.792 10.251 ( 0.511 0.163 -1.104) 1.227 10.251 ( -0.511 0.163 1.104) 1.227 10.396 ( -4.018 -4.967 -3.209) 7.149 10.396 ( 4.018 -4.967 3.209) 7.149 10.459 ( -0.830 2.532 -4.150) 4.932 10.459 ( 0.830 2.532 4.150) 4.932 10.539 ( -5.269 6.158 -5.109) 9.580 10.539 ( 5.269 6.158 5.109) 9.580 10.811 ( -0.796 4.148 -3.718) 5.627 10.811 ( 0.796 4.148 3.718) 5.627 11.066 ( 1.527 -5.021 -2.701) 5.902 11.066 ( -1.527 -5.021 2.701) 5.902 11.197 ( -0.612 4.668 -3.005) 5.585 11.197 ( 0.612 4.668 3.005) 5.585 11.451 ( 2.476 -4.005 -6.209) 7.793 11.451 ( -2.476 -4.005 6.209) 7.793 11.530 ( 0.540 -6.363 -2.898) 7.012 11.530 ( -0.540 -6.363 2.898) 7.012 11.704 ( 0.375 -2.597 -2.026) 3.315 11.704 ( -0.375 -2.597 2.026) 3.315 11.770 ( -2.333 3.695 -3.727) 5.743 11.770 ( 2.333 3.695 3.727) 5.743 12.125 ( 1.355 1.280 -2.362) 3.009 12.125 ( -1.355 1.280 2.362) 3.009 12.290 ( -0.232 -9.490 -1.676) 9.640 12.290 ( 0.232 -9.490 1.676) 9.640 12.459 ( -1.109 -2.866 -4.283) 5.272 12.459 ( 1.109 -2.866 4.283) 5.272 13.217 ( 2.612 3.850 -6.574) 8.054 13.217 ( -2.612 3.850 6.574) 8.054 13.388 ( -1.587 -1.267 -2.138) 2.949 13.388 ( 1.587 -1.267 2.138) 2.949 13.558 ( 2.730 3.959 -2.118) 5.255 13.558 ( -2.730 3.959 2.118) 5.255 13.760 ( 0.320 0.771 -0.635) 1.049 13.760 ( -0.320 0.771 0.635) 1.049 13.891 ( -0.411 3.842 -3.686) 5.340 13.891 ( 0.411 3.842 3.686) 5.340 13.954 ( 0.467 3.588 -2.984) 4.690 13.954 ( -0.467 3.588 2.984) 4.690 14.431 ( -0.691 2.621 -3.222) 4.210 14.431 ( 0.691 2.621 3.222) 4.210 14.548 ( 0.128 -0.009 -0.964) 0.973 14.548 ( -0.128 -0.009 0.964) 0.973 15.109 ( -1.171 7.016 -4.277) 8.300 15.109 ( 1.171 7.016 4.277) 8.300 15.276 ( -0.728 -1.521 -1.885) 2.529 15.276 ( 0.728 -1.521 1.885) 2.529 15.560 ( -1.917 2.080 -2.007) 3.468 15.560 ( 1.917 2.080 2.007) 3.468 16.102 ( 1.153 -19.492 -2.992) 19.754 16.102 ( -1.153 -19.492 2.992) 19.754 17.915 ( 1.522 5.294 -2.838) 6.197 17.915 ( -1.522 5.294 2.838) 6.197 17.974 ( -0.403 3.388 -0.717) 3.487 17.974 ( 0.403 3.388 0.717) 3.487 18.301 ( -6.422 6.528 -0.868) 9.198 18.301 ( 6.422 6.528 0.868) 9.198 18.504 ( 2.101 1.846 -1.718) 3.282 18.504 ( -2.101 1.846 1.718) 3.282 18.736 ( 1.260 -2.479 -1.021) 2.962 18.736 ( -1.260 -2.479 1.021) 2.962 19.040 ( -3.378 1.014 -2.840) 4.528 19.040 ( 3.378 1.014 2.840) 4.528 21.228 ( -3.012 -0.615 -9.686) 10.162 21.228 ( 3.012 -0.615 9.686) 10.162 21.619 ( 1.943 -1.090 -7.785) 8.097 21.619 ( -1.943 -1.090 7.785) 8.097 22.725 ( -3.616 0.988 -1.488) 4.033 22.725 ( 3.616 0.988 1.488) 4.033 22.844 ( -2.415 -0.797 -0.698) 2.637 22.844 ( 2.415 -0.797 0.698) 2.637 22.952 ( -1.233 -4.425 -0.658) 4.640 22.952 ( 1.233 -4.425 0.658) 4.640 23.059 ( -2.908 -5.958 -3.697) 7.591 23.059 ( 2.908 -5.958 3.697) 7.591 ======================= Grid point 143 (64/70) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -6.809 11.966 -0.902) 13.797 2.195 ( -3.559 6.730 -7.182) 10.466 2.287 ( 5.134 3.971 -5.219) 8.329 2.418 ( 0.297 8.117 5.322) 9.711 2.481 ( 2.855 8.169 -6.313) 10.712 2.539 ( 0.239 -0.914 0.676) 1.162 2.640 ( -4.810 3.079 6.163) 8.403 2.716 ( 4.740 4.810 6.351) 9.270 2.813 ( -1.779 3.088 -2.198) 4.187 2.991 ( -6.704 4.589 -1.240) 8.219 3.018 ( -2.749 0.662 2.304) 3.648 3.173 ( 0.066 -6.723 -4.389) 8.029 3.212 ( -3.808 -3.931 1.704) 5.732 3.331 ( -0.533 -1.038 2.079) 2.384 3.359 ( 0.630 -1.634 -2.251) 2.852 3.401 ( 1.126 -0.406 1.090) 1.618 3.528 ( -4.320 -4.943 1.286) 6.690 3.577 ( -7.126 -2.719 -0.488) 7.642 3.620 ( 0.875 -2.885 0.015) 3.015 3.695 ( 3.225 -1.529 2.454) 4.331 3.802 ( 1.767 1.175 -2.136) 3.011 3.840 ( 1.665 0.237 1.436) 2.212 3.873 ( 5.040 2.521 0.406) 5.650 3.904 ( 4.859 -1.099 2.199) 5.445 4.004 ( -0.408 6.012 3.248) 6.846 4.106 ( -5.035 -8.812 -5.962) 11.771 4.113 ( -6.266 -1.241 -1.678) 6.604 4.171 ( -1.878 2.225 -0.405) 2.940 4.252 ( -2.352 3.492 -4.073) 5.859 4.295 ( -4.832 -10.172 -3.578) 11.816 4.364 ( -9.149 3.124 3.845) 10.404 4.452 ( 3.368 -8.600 -5.674) 10.840 4.529 ( -4.346 -2.765 1.270) 5.305 4.712 ( 2.142 -3.842 4.785) 6.500 4.738 ( 0.930 -8.840 -5.793) 10.610 4.772 ( 8.525 -5.474 -5.302) 11.435 4.832 ( 3.629 -1.504 4.742) 6.158 4.923 ( 0.329 10.182 5.794) 11.720 4.978 ( -0.162 0.880 -1.704) 1.925 5.128 ( 8.124 -1.605 -5.849) 10.138 5.174 ( 2.659 4.026 4.632) 6.689 5.261 ( 1.912 1.724 9.651) 9.988 5.374 ( -2.235 -1.096 3.049) 3.936 5.476 ( 1.427 5.739 4.134) 7.215 5.507 ( 5.990 -0.392 1.733) 6.248 5.599 ( 10.190 -0.625 -1.081) 10.266 5.649 ( 0.914 -1.370 4.009) 4.334 5.670 ( -1.619 -4.988 -4.820) 7.123 5.703 ( 7.663 -1.937 -8.175) 11.371 5.779 ( 0.452 -2.746 3.851) 4.751 5.807 ( 2.221 -2.420 -2.767) 4.295 5.902 ( 4.825 7.390 2.787) 9.255 6.013 ( -1.094 -3.638 8.670) 9.465 6.085 ( 4.208 -9.822 3.537) 11.256 6.108 ( -1.620 -0.606 2.067) 2.696 6.204 ( 1.097 -4.749 4.605) 6.705 6.296 ( 0.986 -2.360 -8.095) 8.490 6.347 ( -1.576 -3.311 0.975) 3.794 6.371 ( -0.198 -2.933 0.495) 2.982 6.483 ( -8.488 2.084 -6.880) 11.123 6.578 ( -3.931 -0.643 -0.201) 3.988 6.650 ( 0.042 -3.898 1.430) 4.152 6.710 ( -1.863 -4.559 2.599) 5.569 6.816 ( 5.876 -5.757 -4.594) 9.422 6.858 ( -7.203 -3.061 -3.733) 8.671 6.888 ( -6.663 0.249 -2.380) 7.080 7.008 ( -1.507 2.386 -3.623) 4.593 7.084 ( -10.579 -1.449 -1.749) 10.820 7.166 ( -2.437 -2.931 -7.905) 8.776 7.262 ( -5.444 4.091 2.229) 7.165 7.325 ( -0.162 1.902 -4.816) 5.181 7.361 ( -0.785 -1.022 1.945) 2.333 7.419 ( 8.520 1.202 4.038) 9.505 7.507 ( -5.138 0.661 -1.874) 5.509 7.549 ( -2.278 -5.533 2.261) 6.396 7.620 ( 0.540 0.939 1.833) 2.129 7.708 ( -3.710 -1.221 1.533) 4.196 7.751 ( 0.649 -0.084 -1.260) 1.420 7.814 ( 8.910 3.964 2.942) 10.186 7.932 ( 3.258 0.736 -1.609) 3.707 8.078 ( 6.938 -0.087 4.418) 8.226 8.134 ( 2.240 -5.160 0.891) 5.695 8.230 ( -3.165 -1.789 -1.858) 4.083 8.282 ( -1.262 0.432 -0.599) 1.462 8.337 ( -4.651 -1.903 -2.096) 5.444 8.380 ( 13.416 0.291 -2.544) 13.658 8.506 ( -4.427 1.807 1.292) 4.953 8.528 ( -2.829 -5.014 7.371) 9.353 8.730 ( -0.305 -0.015 -1.414) 1.447 8.766 ( -0.464 2.638 7.841) 8.285 8.813 ( 1.851 0.101 -3.557) 4.011 8.929 ( -3.080 -4.373 -4.671) 7.101 9.092 ( -0.854 3.791 -3.597) 5.296 9.145 ( -0.371 -4.824 -2.037) 5.250 9.223 ( 0.442 -3.379 2.062) 3.983 9.250 ( 0.857 4.257 3.679) 5.691 9.307 ( -0.747 3.640 6.339) 7.348 9.426 ( 3.300 -3.971 0.143) 5.165 9.551 ( -0.292 5.972 4.247) 7.335 9.620 ( 0.172 1.826 -5.276) 5.586 9.806 ( -3.900 1.963 -4.642) 6.373 9.929 ( -4.195 0.404 1.249) 4.396 9.971 ( -2.801 2.111 -6.727) 7.587 10.084 ( 3.780 0.734 1.355) 4.082 10.164 ( -5.990 3.440 4.185) 8.076 10.241 ( -2.223 3.802 -4.877) 6.571 10.334 ( -4.380 1.665 0.820) 4.757 10.345 ( -1.232 -3.282 -0.357) 3.524 10.448 ( 4.787 5.059 -3.047) 7.602 10.528 ( 4.992 0.389 0.801) 5.071 10.541 ( 1.697 5.379 2.423) 6.138 10.704 ( 8.837 8.123 1.924) 12.157 10.804 ( -0.716 3.175 0.626) 3.315 10.913 ( 1.343 -0.609 4.526) 4.760 10.986 ( -1.985 -4.520 1.921) 5.297 11.098 ( -0.613 -2.438 -0.466) 2.557 11.150 ( -1.567 2.169 -0.905) 2.825 11.237 ( 1.728 3.007 -2.162) 4.087 11.385 ( 0.483 -0.613 -7.365) 7.406 11.453 ( -3.912 -6.541 2.902) 8.156 11.525 ( 3.338 -2.915 -0.960) 4.534 11.595 ( 2.203 -9.440 0.513) 9.707 11.671 ( -1.085 -2.218 2.323) 3.390 11.682 ( -0.029 3.901 -3.654) 5.345 11.776 ( 3.475 -2.365 0.703) 4.262 11.859 ( 4.581 5.828 -0.239) 7.417 12.123 ( -0.334 -0.764 1.610) 1.814 12.154 ( 0.759 1.013 1.295) 1.811 12.236 ( -3.660 -9.888 0.694) 10.567 12.328 ( 1.323 -9.346 0.319) 9.445 12.360 ( -4.686 -1.908 -2.875) 5.819 12.509 ( -0.708 -1.201 2.378) 2.757 13.189 ( 1.527 3.596 -4.375) 5.866 13.251 ( -0.222 3.290 3.225) 4.612 13.333 ( 0.020 -0.950 -4.538) 4.636 13.422 ( 1.529 -0.768 -0.680) 1.841 13.562 ( -1.751 3.904 4.376) 6.120 13.611 ( 2.960 3.450 1.445) 4.770 13.746 ( -1.554 -0.820 1.388) 2.239 13.787 ( 0.655 -0.341 -0.027) 0.739 13.844 ( 0.998 6.138 -3.149) 6.970 13.928 ( 0.083 4.650 1.053) 4.769 13.940 ( 0.995 3.545 -0.292) 3.694 13.992 ( 1.044 4.106 2.599) 4.971 14.405 ( 1.511 1.314 -1.684) 2.617 14.487 ( 1.733 0.871 2.236) 2.960 14.542 ( 1.203 -0.568 -1.216) 1.802 14.554 ( 0.558 -0.104 -0.529) 0.776 15.024 ( -3.562 2.142 -2.564) 4.883 15.120 ( -1.603 7.704 1.423) 7.996 15.208 ( -4.801 -5.236 -0.600) 7.130 15.326 ( 2.871 3.352 0.712) 4.471 15.556 ( 1.767 0.897 1.838) 2.703 15.657 ( 8.497 2.772 -1.883) 9.134 15.997 ( -7.788 -14.100 4.523) 16.731 16.240 ( 6.609 -17.156 -1.875) 18.481 17.863 ( -2.169 7.031 -0.769) 7.398 17.932 ( 0.638 2.573 0.217) 2.660 17.983 ( 1.186 3.447 -0.104) 3.647 18.027 ( 4.471 3.029 -0.453) 5.420 18.190 ( -5.182 4.882 0.044) 7.120 18.380 ( -0.045 2.345 0.857) 2.497 18.473 ( -2.719 3.919 0.933) 4.860 18.526 ( 0.861 1.126 -0.170) 1.428 18.678 ( -4.483 -2.389 1.239) 5.229 18.727 ( -1.473 -0.473 -1.492) 2.149 18.973 ( -1.331 2.393 -1.185) 2.983 19.131 ( 3.103 0.905 2.028) 3.816 21.077 ( -0.800 0.587 -9.021) 9.076 21.343 ( 0.842 -5.162 -0.068) 5.230 21.550 ( -2.373 1.809 3.313) 4.459 21.689 ( -1.588 -3.193 6.677) 7.570 22.635 ( -4.984 0.560 -0.209) 5.020 22.746 ( -1.561 0.403 -0.474) 1.680 22.844 ( -1.530 -2.471 0.216) 2.915 22.876 ( -0.681 -2.741 -1.021) 3.003 22.923 ( 3.050 -1.040 -0.733) 3.304 22.951 ( 0.510 -2.932 0.336) 2.995 23.040 ( 3.939 -3.576 -1.674) 5.577 23.125 ( 1.182 -6.438 0.700) 6.582 ======================= Grid point 144 (65/70) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -2.108 5.123 2.005) 5.891 2.046 ( -7.091 -0.104 -1.721) 7.298 2.355 ( 9.772 12.572 -6.248) 17.105 2.426 ( 4.806 2.341 -3.584) 6.436 2.539 ( 1.186 9.075 3.546) 9.816 2.620 ( 3.924 4.043 5.614) 7.954 2.639 ( 0.471 1.033 3.279) 3.471 2.738 ( 0.346 2.084 0.474) 2.165 2.817 ( -2.214 6.541 -7.378) 10.105 2.924 ( -2.136 5.412 6.869) 9.002 2.977 ( -4.316 2.138 -2.856) 5.600 3.071 ( -4.406 -3.100 3.791) 6.587 3.141 ( -2.687 -4.960 -2.440) 6.147 3.286 ( -13.497 4.325 0.588) 14.185 3.308 ( -1.036 -8.591 2.371) 8.972 3.410 ( -1.407 -3.862 3.325) 5.287 3.485 ( 2.617 -3.793 -2.093) 5.061 3.565 ( -1.026 -0.464 0.556) 1.256 3.632 ( 2.580 3.045 -2.334) 4.623 3.695 ( -2.606 -1.180 2.976) 4.128 3.761 ( -10.615 -9.785 -6.692) 15.913 3.815 ( -0.552 -6.721 -2.826) 7.312 3.888 ( 0.159 -4.271 4.470) 6.184 3.900 ( -3.920 -3.748 -7.859) 9.549 3.964 ( 0.812 5.214 1.360) 5.449 4.041 ( 0.657 -2.437 -5.088) 5.680 4.100 ( 3.325 -3.462 6.106) 7.767 4.161 ( 1.081 -8.816 1.511) 9.009 4.242 ( 1.781 6.958 -2.141) 7.494 4.315 ( -1.306 4.733 6.276) 7.969 4.348 ( 9.859 -1.424 -0.509) 9.974 4.483 ( 7.498 -8.702 -3.021) 11.877 4.523 ( 0.050 -4.010 3.382) 5.246 4.754 ( -1.012 -10.803 -1.637) 10.973 4.789 ( -2.072 -5.153 0.681) 5.596 4.842 ( 5.705 -7.906 -0.113) 9.751 4.901 ( 4.729 -4.901 0.491) 6.828 4.964 ( 1.902 5.291 -1.925) 5.942 5.047 ( -0.817 6.514 8.698) 10.897 5.157 ( -6.325 -0.483 2.785) 6.927 5.238 ( 4.111 -1.885 -6.625) 8.022 5.301 ( -1.322 2.967 3.609) 4.855 5.353 ( 4.147 0.628 2.163) 4.719 5.468 ( -0.235 1.049 -2.176) 2.427 5.531 ( -1.385 1.459 -3.932) 4.417 5.582 ( -1.657 3.533 -1.558) 4.202 5.655 ( 5.394 -0.433 -9.718) 11.123 5.717 ( -3.811 5.030 -4.937) 8.013 5.745 ( -2.396 5.017 -8.380) 10.057 5.782 ( 1.684 -3.502 5.963) 7.117 5.899 ( 2.890 -2.516 6.998) 7.978 5.997 ( -2.603 -1.343 6.117) 6.782 6.016 ( 2.485 5.429 0.087) 5.971 6.078 ( -9.490 -3.070 4.096) 10.782 6.163 ( 4.348 -0.274 -4.040) 5.941 6.199 ( 5.532 2.213 -4.552) 7.498 6.230 ( -2.045 -0.337 0.549) 2.144 6.399 ( 4.897 1.500 1.388) 5.307 6.429 ( 0.526 -1.451 7.260) 7.423 6.487 ( -0.046 -0.398 0.697) 0.804 6.521 ( 8.253 -2.471 1.772) 8.795 6.650 ( -0.960 -2.262 -0.001) 2.457 6.671 ( -7.273 -1.780 -0.229) 7.492 6.771 ( 1.472 -2.770 1.470) 3.464 6.806 ( 4.496 -7.499 2.085) 8.989 6.899 ( -10.456 0.621 3.896) 11.175 6.954 ( 5.028 -2.269 -2.972) 6.266 7.019 ( 5.275 -1.255 1.284) 5.572 7.040 ( -2.462 -5.049 -6.698) 8.741 7.185 ( -2.975 2.714 -3.129) 5.100 7.237 ( -7.495 -3.979 -0.874) 8.531 7.314 ( -4.740 0.343 0.937) 4.843 7.358 ( -6.649 2.725 1.458) 7.332 7.495 ( -0.478 2.728 -3.983) 4.851 7.604 ( -1.389 2.638 2.018) 3.600 7.645 ( 3.470 -1.955 3.134) 5.068 7.686 ( -1.465 -5.086 0.996) 5.386 7.803 ( 6.712 -1.356 1.714) 7.059 7.893 ( -6.285 3.226 -2.213) 7.403 8.017 ( 8.054 -2.122 -0.947) 8.383 8.086 ( -4.696 -1.807 -2.673) 5.697 8.117 ( 2.584 -1.897 -5.453) 6.325 8.170 ( 1.386 -6.839 1.328) 7.104 8.324 ( 1.994 1.505 6.046) 6.541 8.342 ( -1.726 -1.806 3.169) 4.035 8.449 ( -2.556 0.762 0.904) 2.816 8.530 ( 4.511 -1.450 4.579) 6.590 8.601 ( 6.039 -3.495 -1.331) 7.103 8.690 ( 3.657 -2.132 -6.853) 8.055 8.728 ( -7.045 -4.229 -3.312) 8.859 8.842 ( 0.259 -4.712 1.519) 4.958 8.900 ( -0.727 -1.887 -2.883) 3.522 8.988 ( -2.424 0.161 2.534) 3.510 9.102 ( 0.124 -3.077 -0.998) 3.238 9.227 ( -2.572 -0.390 0.269) 2.615 9.307 ( -1.090 3.791 2.053) 4.447 9.338 ( -5.311 -5.673 -8.907) 11.820 9.449 ( 2.120 4.633 5.381) 7.411 9.518 ( 0.444 2.919 1.236) 3.201 9.703 ( -2.439 -0.520 5.496) 6.036 9.712 ( 1.984 0.176 -0.790) 2.143 9.813 ( -0.130 0.194 -2.105) 2.118 9.885 ( -3.346 5.088 -4.992) 7.875 10.080 ( -4.216 -0.668 5.708) 7.127 10.130 ( 0.189 7.293 -5.059) 8.878 10.231 ( 2.376 4.314 -6.561) 8.204 10.289 ( -1.269 1.848 5.456) 5.899 10.360 ( 1.606 2.790 2.153) 3.873 10.548 ( 5.397 4.758 -3.061) 7.819 10.556 ( 2.007 9.486 2.937) 10.132 10.672 ( 8.342 -0.107 1.546) 8.485 10.715 ( -8.172 1.036 1.864) 8.446 10.816 ( 0.598 7.792 -2.712) 8.272 10.976 ( 5.753 -6.921 2.864) 9.445 11.059 ( -5.453 -4.530 3.074) 7.727 11.075 ( 2.509 3.585 -1.888) 4.765 11.098 ( -1.391 1.871 5.124) 5.629 11.221 ( 2.281 -0.674 -5.210) 5.727 11.320 ( -0.076 2.327 -4.961) 5.480 11.389 ( -6.149 -6.718 0.458) 9.119 11.570 ( 1.924 -0.302 -1.194) 2.284 11.597 ( -0.571 -4.726 0.476) 4.785 11.702 ( 3.867 -0.365 2.428) 4.581 11.748 ( 4.885 -2.872 1.947) 5.992 11.833 ( 2.725 -1.909 -0.659) 3.392 11.910 ( 3.259 6.222 -3.093) 7.675 12.129 ( -2.953 -4.600 1.321) 5.623 12.167 ( 1.012 -0.016 -0.074) 1.015 12.179 ( -3.668 -9.583 -0.167) 10.262 12.256 ( -2.823 -1.161 -1.252) 3.299 12.361 ( 1.092 -5.113 1.862) 5.551 12.485 ( -3.216 0.582 -0.273) 3.280 13.168 ( 0.722 2.936 -1.961) 3.604 13.257 ( -1.051 1.487 -3.944) 4.344 13.318 ( 2.209 1.057 2.269) 3.339 13.431 ( 0.892 0.164 -1.694) 1.922 13.581 ( -1.147 4.458 2.977) 5.482 13.660 ( 0.170 1.405 0.802) 1.626 13.716 ( -0.411 1.144 -1.420) 1.870 13.781 ( 0.028 -1.900 -0.608) 1.995 13.863 ( 1.135 4.833 0.662) 5.008 13.915 ( -0.046 3.329 -1.951) 3.859 13.990 ( 1.057 5.927 3.967) 7.210 14.035 ( 1.440 4.634 0.386) 4.868 14.446 ( 3.191 -1.291 0.789) 3.531 14.525 ( 0.911 -3.398 -0.665) 3.580 14.562 ( 0.494 -0.382 1.636) 1.751 14.567 ( 1.971 -0.646 -0.497) 2.133 14.959 ( -1.502 0.370 0.530) 1.635 15.081 ( -3.921 -2.395 -2.015) 5.017 15.213 ( 2.508 3.136 7.900) 8.862 15.377 ( 3.111 1.201 -0.903) 3.455 15.623 ( 1.611 2.501 2.517) 3.897 15.790 ( 8.176 -0.736 -1.788) 8.402 15.901 ( -4.959 -2.660 -0.394) 5.641 16.223 ( -4.357 -10.431 -4.639) 12.219 17.850 ( 1.365 4.485 0.286) 4.697 17.931 ( -0.072 2.169 -2.120) 3.034 18.035 ( 3.952 2.803 1.676) 5.127 18.080 ( 3.171 1.376 -2.257) 4.128 18.140 ( -1.030 3.662 1.004) 3.934 18.335 ( -6.377 -1.869 0.846) 6.699 18.390 ( -4.905 -0.061 -0.095) 4.906 18.500 ( -5.277 -1.442 -0.068) 5.471 18.646 ( 2.138 1.258 -2.024) 3.202 18.703 ( -1.594 4.781 1.726) 5.327 18.983 ( 1.860 4.420 2.726) 5.516 19.161 ( -0.071 3.311 -2.219) 3.986 21.024 ( 2.467 -2.012 -2.155) 3.844 21.248 ( -4.717 -5.211 -6.025) 9.258 21.619 ( 2.893 -0.675 3.688) 4.736 21.716 ( -4.056 -3.686 6.127) 8.220 22.580 ( -2.125 0.538 2.280) 3.163 22.689 ( -2.444 -2.012 -3.054) 4.399 22.784 ( -0.792 -2.852 -1.037) 3.136 22.853 ( -3.212 -2.636 0.247) 4.163 22.991 ( 4.505 0.475 0.102) 4.531 23.008 ( 4.044 -1.036 -0.149) 4.178 23.084 ( 1.773 -2.519 -0.252) 3.091 23.124 ( -1.189 -5.326 -0.053) 5.457 ======================= Grid point 145 (66/70) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 2.701 1.455 -6.368) 7.068 1.931 ( -2.701 1.455 6.368) 7.068 2.470 ( 4.084 5.497 -4.639) 8.271 2.470 ( -4.084 5.497 4.639) 8.271 2.551 ( 2.526 8.833 -2.755) 9.591 2.551 ( -2.526 8.833 2.755) 9.591 2.758 ( 1.356 0.613 -6.278) 6.452 2.758 ( -1.356 0.613 6.278) 6.452 2.871 ( -3.899 -2.389 -5.618) 7.244 2.871 ( 3.899 -2.389 5.618) 7.244 2.969 ( -16.652 7.435 0.691) 18.250 2.969 ( 16.652 7.435 -0.691) 18.250 3.106 ( -0.340 -1.235 -2.143) 2.497 3.106 ( 0.340 -1.235 2.143) 2.497 3.446 ( -7.569 -4.382 -6.055) 10.637 3.446 ( 7.569 -4.382 6.055) 10.637 3.476 ( -1.397 -1.791 -8.177) 8.487 3.476 ( 1.397 -1.791 8.177) 8.487 3.591 ( 1.066 -0.699 -7.793) 7.897 3.591 ( -1.066 -0.699 7.793) 7.897 3.772 ( -3.041 -7.607 -3.587) 8.944 3.772 ( 3.041 -7.607 3.587) 8.944 3.845 ( 2.176 -1.315 -3.463) 4.296 3.845 ( -2.176 -1.315 3.463) 4.296 4.001 ( 1.363 0.672 -5.009) 5.234 4.001 ( -1.363 0.672 5.009) 5.234 4.188 ( 1.618 -8.268 -2.462) 8.778 4.188 ( -1.618 -8.268 2.462) 8.778 4.313 ( -2.553 -1.641 -4.875) 5.742 4.313 ( 2.553 -1.641 4.875) 5.742 4.506 ( -4.341 -5.313 -3.725) 7.807 4.506 ( 4.341 -5.313 3.725) 7.807 4.619 ( -3.586 -7.651 -8.641) 12.085 4.619 ( 3.586 -7.651 8.641) 12.085 4.784 ( -3.314 -2.504 -7.122) 8.245 4.784 ( 3.314 -2.504 7.122) 8.245 5.022 ( 2.324 -2.269 -2.452) 4.070 5.022 ( -2.324 -2.269 2.452) 4.070 5.085 ( -5.147 -0.071 -4.207) 6.648 5.085 ( 5.147 -0.071 4.207) 6.648 5.258 ( -5.465 4.816 -2.379) 7.663 5.258 ( 5.465 4.816 2.379) 7.663 5.491 ( -2.712 1.393 -0.226) 3.057 5.491 ( 2.712 1.393 0.226) 3.057 5.515 ( -6.394 5.978 -5.075) 10.118 5.515 ( 6.394 5.978 5.075) 10.118 5.574 ( -1.809 2.238 0.105) 2.880 5.574 ( 1.809 2.238 -0.105) 2.880 5.733 ( 10.219 -1.675 -7.210) 12.618 5.733 ( -10.219 -1.675 7.210) 12.618 5.910 ( 1.034 6.031 -2.863) 6.755 5.910 ( -1.034 6.031 2.863) 6.755 6.111 ( -1.151 -4.253 -4.434) 6.250 6.111 ( 1.151 -4.253 4.434) 6.250 6.211 ( -1.113 0.189 -8.111) 8.189 6.211 ( 1.113 0.189 8.111) 8.189 6.329 ( 1.112 1.906 -10.390) 10.622 6.329 ( -1.112 1.906 10.390) 10.622 6.531 ( -4.828 -0.897 -2.165) 5.367 6.531 ( 4.828 -0.897 2.165) 5.367 6.594 ( -1.290 -0.077 -0.656) 1.450 6.594 ( 1.290 -0.077 0.656) 1.450 6.711 ( -8.557 1.446 -1.211) 8.762 6.711 ( 8.557 1.446 1.211) 8.762 6.880 ( 0.734 -1.411 -1.443) 2.147 6.880 ( -0.734 -1.411 1.443) 2.147 6.956 ( -8.512 -1.815 0.059) 8.703 6.956 ( 8.512 -1.815 -0.059) 8.703 7.113 ( -1.290 1.511 -3.118) 3.698 7.113 ( 1.290 1.511 3.118) 3.698 7.207 ( -6.199 -6.828 -1.701) 9.378 7.207 ( 6.199 -6.828 1.701) 9.378 7.386 ( -3.038 -2.489 -6.818) 7.869 7.386 ( 3.038 -2.489 6.818) 7.869 7.642 ( 0.022 3.664 -4.307) 5.655 7.642 ( -0.022 3.664 4.307) 5.655 7.799 ( -1.006 -3.222 -8.622) 9.259 7.799 ( 1.006 -3.222 8.622) 9.259 7.851 ( -7.431 3.107 -5.722) 9.880 7.851 ( 7.431 3.107 5.722) 9.880 8.152 ( 2.712 -3.242 -7.295) 8.431 8.152 ( -2.712 -3.242 7.295) 8.431 8.268 ( -6.189 -12.869 -5.642) 15.354 8.268 ( 6.189 -12.869 5.642) 15.354 8.437 ( -2.207 1.947 -3.199) 4.347 8.437 ( 2.207 1.947 3.199) 4.347 8.593 ( 2.587 0.690 -6.679) 7.196 8.593 ( -2.587 0.690 6.679) 7.196 8.649 ( 5.056 -6.242 -5.473) 9.720 8.649 ( -5.056 -6.242 5.473) 9.720 8.909 ( -4.055 -5.771 -4.420) 8.324 8.909 ( 4.055 -5.771 4.420) 8.324 8.994 ( -8.752 5.568 -5.163) 11.586 8.994 ( 8.752 5.568 5.163) 11.586 9.218 ( 0.697 -7.941 -8.705) 11.803 9.218 ( -0.697 -7.941 8.705) 11.803 9.386 ( -4.911 2.514 -3.521) 6.545 9.386 ( 4.911 2.514 3.521) 6.545 9.640 ( -5.832 6.493 -3.531) 9.415 9.640 ( 5.832 6.493 3.531) 9.415 9.720 ( -3.963 1.465 -0.142) 4.228 9.720 ( 3.963 1.465 0.142) 4.228 10.019 ( -8.963 -0.980 -0.455) 9.028 10.019 ( 8.963 -0.980 0.455) 9.028 10.121 ( 0.053 6.059 -1.856) 6.337 10.121 ( -0.053 6.059 1.856) 6.337 10.380 ( -2.020 2.008 -0.260) 2.860 10.380 ( 2.020 2.008 0.260) 2.860 10.585 ( 5.935 5.137 -3.734) 8.692 10.585 ( -5.935 5.137 3.734) 8.692 10.687 ( -3.510 8.634 -4.594) 10.391 10.687 ( 3.510 8.634 4.594) 10.391 10.887 ( -8.799 -2.819 -2.783) 9.649 10.887 ( 8.799 -2.819 2.783) 9.649 11.109 ( 4.778 2.510 -3.092) 6.220 11.109 ( -4.778 2.510 3.092) 6.220 11.174 ( -1.244 -6.210 -6.419) 9.018 11.174 ( 1.244 -6.210 6.419) 9.018 11.292 ( 5.204 -0.988 -4.223) 6.774 11.292 ( -5.204 -0.988 4.223) 6.774 11.585 ( 2.993 0.232 -5.298) 6.089 11.585 ( -2.993 0.232 5.298) 6.089 11.809 ( -1.116 -7.322 -2.496) 7.815 11.809 ( 1.116 -7.322 2.496) 7.815 11.868 ( -2.276 6.218 -4.084) 7.780 11.868 ( 2.276 6.218 4.084) 7.780 12.108 ( 0.773 -6.894 -3.373) 7.713 12.108 ( -0.773 -6.894 3.373) 7.713 12.213 ( -0.807 -0.840 -1.966) 2.286 12.213 ( 0.807 -0.840 1.966) 2.286 12.415 ( -1.756 -1.288 -2.734) 3.495 12.415 ( 1.756 -1.288 2.734) 3.495 13.188 ( -1.256 2.036 -2.197) 3.248 13.188 ( 1.256 2.036 2.197) 3.248 13.397 ( -2.002 1.104 -2.949) 3.732 13.397 ( 2.002 1.104 2.949) 3.732 13.612 ( -1.108 3.220 -3.174) 4.656 13.612 ( 1.108 3.220 3.174) 4.656 13.753 ( -1.162 -0.969 -2.251) 2.712 13.753 ( 1.162 -0.969 2.251) 2.712 13.889 ( -0.472 3.822 -1.587) 4.165 13.889 ( 0.472 3.822 1.587) 4.165 14.037 ( 0.157 5.306 -2.417) 5.833 14.037 ( -0.157 5.306 2.417) 5.833 14.503 ( -1.284 -3.103 -1.769) 3.795 14.503 ( 1.284 -3.103 1.769) 3.795 14.583 ( 1.253 -1.387 -2.179) 2.871 14.583 ( -1.253 -1.387 2.179) 2.871 14.994 ( -2.813 -1.119 -2.378) 3.850 14.994 ( 2.813 -1.119 2.378) 3.850 15.361 ( -0.440 0.013 -8.528) 8.539 15.361 ( 0.440 0.013 8.528) 8.539 15.704 ( -5.165 3.083 -3.102) 6.768 15.704 ( 5.165 3.083 3.102) 6.768 16.031 ( -10.718 -3.583 -3.283) 11.768 16.031 ( 10.718 -3.583 3.283) 11.768 17.894 ( -0.213 2.287 -3.089) 3.850 17.894 ( 0.213 2.287 3.089) 3.850 18.092 ( 0.948 1.361 -2.150) 2.715 18.092 ( -0.948 1.361 2.150) 2.715 18.198 ( -7.649 1.822 0.476) 7.878 18.198 ( 7.649 1.822 -0.476) 7.878 18.396 ( -3.894 -3.758 -1.077) 5.518 18.396 ( 3.894 -3.758 1.077) 5.518 18.680 ( 2.101 4.490 -1.803) 5.274 18.680 ( -2.101 4.490 1.803) 5.274 19.082 ( -2.972 5.523 -5.432) 8.297 19.082 ( 2.972 5.523 5.432) 8.297 21.103 ( -4.561 -4.689 -4.314) 7.836 21.103 ( 4.561 -4.689 4.314) 7.836 21.691 ( 2.769 -2.576 -3.524) 5.169 21.691 ( -2.769 -2.576 3.524) 5.169 22.614 ( -0.982 -1.421 -4.236) 4.574 22.614 ( 0.982 -1.421 4.236) 4.574 22.797 ( -2.214 -2.243 -0.164) 3.156 22.797 ( 2.214 -2.243 0.164) 3.156 23.045 ( 1.148 -0.040 -0.830) 1.418 23.045 ( -1.148 -0.040 0.830) 1.418 23.099 ( -0.334 -3.626 -0.349) 3.658 23.099 ( 0.334 -3.626 0.349) 3.658 ======================= Grid point 149 (67/70) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -7.834 1.567 -1.652) 8.159 2.257 ( 7.834 1.567 1.652) 8.159 2.361 ( -6.982 -3.820 -1.160) 8.043 2.361 ( 6.982 -3.820 1.160) 8.043 2.663 ( -5.014 8.858 -1.012) 10.229 2.663 ( 5.014 8.858 1.012) 10.229 2.705 ( 3.677 3.694 -6.317) 8.190 2.705 ( -3.677 3.694 6.317) 8.190 2.984 ( -0.353 1.926 -6.445) 6.736 2.984 ( 0.353 1.926 6.445) 6.736 3.070 ( -6.985 -5.096 -0.888) 8.692 3.070 ( 6.985 -5.096 0.888) 8.692 3.250 ( -3.271 6.022 -0.577) 6.877 3.250 ( 3.271 6.022 0.577) 6.877 3.380 ( 4.216 -1.469 -7.403) 8.645 3.380 ( -4.216 -1.469 7.403) 8.645 3.464 ( -5.662 -6.732 -1.148) 8.871 3.464 ( 5.662 -6.732 1.148) 8.871 3.689 ( -3.240 -5.150 -0.394) 6.097 3.689 ( 3.240 -5.150 0.394) 6.097 3.787 ( -6.511 5.264 -2.011) 8.611 3.787 ( 6.511 5.264 2.011) 8.611 3.906 ( -1.798 3.788 -2.751) 5.015 3.906 ( 1.798 3.788 2.751) 5.015 4.132 ( 1.393 0.542 -5.856) 6.044 4.132 ( -1.393 0.542 5.856) 6.044 4.171 ( -0.530 4.655 -3.452) 5.820 4.171 ( 0.530 4.655 3.452) 5.820 4.242 ( 1.387 -7.228 -8.174) 10.999 4.242 ( -1.387 -7.228 8.174) 10.999 4.376 ( -7.250 -6.803 -0.648) 9.963 4.376 ( 7.250 -6.803 0.648) 9.963 4.453 ( 0.734 -1.927 -4.427) 4.884 4.453 ( -0.734 -1.927 4.427) 4.884 4.589 ( -2.032 -7.288 -2.834) 8.079 4.589 ( 2.032 -7.288 2.834) 8.079 4.885 ( -1.255 -4.036 -4.003) 5.821 4.885 ( 1.255 -4.036 4.003) 5.821 5.100 ( -8.162 2.202 -0.726) 8.485 5.100 ( 8.162 2.202 0.726) 8.485 5.233 ( 0.461 7.844 -5.364) 9.514 5.233 ( -0.461 7.844 5.364) 9.514 5.344 ( 0.144 -2.084 -5.065) 5.479 5.344 ( -0.144 -2.084 5.065) 5.479 5.521 ( 0.700 5.641 -4.136) 7.030 5.521 ( -0.700 5.641 4.136) 7.030 5.603 ( 1.940 1.545 -8.466) 8.821 5.603 ( -1.940 1.545 8.466) 8.821 5.713 ( 8.158 -5.043 -8.408) 12.755 5.713 ( -8.158 -5.043 8.408) 12.755 5.750 ( 0.593 -4.498 -2.635) 5.246 5.750 ( -0.593 -4.498 2.635) 5.246 5.992 ( 0.572 0.301 -2.140) 2.235 5.992 ( -0.572 0.301 2.140) 2.235 6.129 ( -3.703 6.429 -6.393) 9.793 6.129 ( 3.703 6.429 6.393) 9.793 6.293 ( 1.964 -3.383 -6.542) 7.622 6.293 ( -1.964 -3.383 6.542) 7.622 6.438 ( -0.600 -1.652 -1.559) 2.349 6.438 ( 0.600 -1.652 1.559) 2.349 6.671 ( -2.732 0.317 -1.502) 3.133 6.671 ( 2.732 0.317 1.502) 3.133 6.787 ( -1.098 5.254 -1.405) 5.548 6.787 ( 1.098 5.254 1.405) 5.548 7.001 ( -4.925 3.982 -1.594) 6.531 7.001 ( 4.925 3.982 1.594) 6.531 7.145 ( -9.949 -1.862 -1.789) 10.279 7.145 ( 9.949 -1.862 1.789) 10.279 7.244 ( -7.916 -2.404 -2.190) 8.558 7.244 ( 7.916 -2.404 2.190) 8.558 7.314 ( -4.984 -1.759 -6.372) 8.279 7.314 ( 4.984 -1.759 6.372) 8.279 7.391 ( 0.535 -2.054 -3.261) 3.891 7.391 ( -0.535 -2.054 3.261) 3.891 7.515 ( -2.973 -5.267 -5.842) 8.409 7.515 ( 2.973 -5.267 5.842) 8.409 7.689 ( -7.352 -0.345 -0.095) 7.361 7.689 ( 7.352 -0.345 0.095) 7.361 7.722 ( 2.542 -6.580 -3.438) 7.847 7.722 ( -2.542 -6.580 3.438) 7.847 8.042 ( 0.004 2.092 -3.245) 3.861 8.042 ( -0.004 2.092 3.245) 3.861 8.284 ( 1.195 2.491 -2.595) 3.790 8.284 ( -1.195 2.491 2.595) 3.790 8.446 ( -3.856 2.511 -1.067) 4.724 8.446 ( 3.856 2.511 1.067) 4.724 8.535 ( -1.691 4.882 -5.768) 7.744 8.535 ( 1.691 4.882 5.768) 7.744 8.739 ( 1.181 -1.093 -2.930) 3.343 8.739 ( -1.181 -1.093 2.930) 3.343 8.862 ( -4.016 -2.900 -0.145) 4.955 8.862 ( 4.016 -2.900 0.145) 4.955 9.076 ( -1.359 -2.096 -4.129) 4.826 9.076 ( 1.359 -2.096 4.129) 4.826 9.256 ( 0.387 -3.098 -4.306) 5.318 9.256 ( -0.387 -3.098 4.306) 5.319 9.418 ( -2.483 9.036 -7.705) 12.132 9.418 ( 2.483 9.036 7.705) 12.132 9.602 ( -2.747 -1.764 -2.504) 4.114 9.602 ( 2.747 -1.764 2.504) 4.114 9.913 ( -0.976 -3.492 -2.262) 4.274 9.913 ( 0.976 -3.492 2.262) 4.274 9.994 ( -0.439 -2.014 -0.790) 2.208 9.994 ( 0.439 -2.014 0.790) 2.208 10.303 ( 0.719 2.944 -3.518) 4.643 10.303 ( -0.719 2.944 3.518) 4.643 10.361 ( 0.147 0.250 -3.350) 3.363 10.361 ( -0.147 0.250 3.350) 3.363 10.487 ( 3.266 3.394 -3.960) 6.154 10.487 ( -3.266 3.394 3.960) 6.154 10.587 ( -2.345 -2.862 -4.694) 5.977 10.587 ( 2.345 -2.862 4.694) 5.977 10.966 ( -1.191 -0.815 -3.031) 3.357 10.966 ( 1.191 -0.815 3.031) 3.357 11.012 ( 2.802 8.922 -2.445) 9.666 11.012 ( -2.802 8.922 2.445) 9.666 11.213 ( -1.492 -3.179 -1.109) 3.682 11.213 ( 1.492 -3.179 1.109) 3.682 11.388 ( -1.108 -2.975 -2.013) 3.759 11.388 ( 1.108 -2.975 2.013) 3.759 11.433 ( -1.051 -1.682 -1.806) 2.682 11.433 ( 1.051 -1.682 1.806) 2.682 11.653 ( -2.920 -1.593 0.214) 3.333 11.653 ( 2.920 -1.593 -0.214) 3.333 11.904 ( -1.402 8.018 -4.154) 9.138 11.904 ( 1.402 8.018 4.154) 9.138 12.094 ( -1.607 -7.733 -0.862) 7.945 12.094 ( 1.607 -7.733 0.862) 7.945 12.192 ( 0.936 2.155 -2.302) 3.289 12.192 ( -0.936 2.155 2.302) 3.289 12.393 ( -1.441 -3.044 -1.817) 3.827 12.393 ( 1.441 -3.044 1.817) 3.827 13.279 ( 0.974 2.606 -3.238) 4.269 13.279 ( -0.974 2.606 3.238) 4.269 13.341 ( -1.567 -2.759 -1.278) 3.421 13.341 ( 1.567 -2.759 1.278) 3.421 13.618 ( 1.563 1.784 -1.010) 2.578 13.618 ( -1.563 1.784 1.010) 2.578 13.748 ( -0.671 -0.900 -0.050) 1.124 13.748 ( 0.671 -0.900 0.050) 1.124 13.958 ( -0.220 2.141 -2.430) 3.246 13.958 ( 0.220 2.141 2.430) 3.246 13.994 ( -0.014 0.610 -2.087) 2.174 13.994 ( 0.014 0.610 2.087) 2.174 14.490 ( -0.137 2.634 -3.101) 4.071 14.490 ( 0.137 2.634 3.101) 4.071 14.538 ( 0.115 -1.015 -2.188) 2.415 14.538 ( -0.115 -1.015 2.188) 2.415 15.166 ( -1.440 -0.235 -2.391) 2.801 15.166 ( 1.440 -0.235 2.391) 2.801 15.344 ( -3.560 5.567 -1.992) 6.901 15.344 ( 3.560 5.567 1.992) 6.901 15.600 ( -2.990 2.418 -0.775) 3.923 15.600 ( 2.990 2.418 0.775) 3.923 15.789 ( -5.574 -11.153 1.351) 12.541 15.789 ( 5.574 -11.153 -1.351) 12.541 17.996 ( 0.832 2.377 -1.355) 2.860 17.996 ( -0.832 2.377 1.355) 2.860 18.029 ( -0.082 1.581 -0.612) 1.698 18.029 ( 0.082 1.581 0.612) 1.698 18.427 ( -4.991 5.301 -0.327) 7.288 18.427 ( 4.991 5.301 0.327) 7.288 18.500 ( -3.896 -1.932 0.327) 4.361 18.500 ( 3.896 -1.932 -0.327) 4.361 18.686 ( -3.424 -1.814 0.656) 3.930 18.686 ( 3.424 -1.814 -0.656) 3.930 19.059 ( -1.688 0.581 -1.136) 2.116 19.059 ( 1.688 0.581 1.136) 2.116 21.211 ( -1.252 -0.703 -3.749) 4.015 21.211 ( 1.252 -0.703 3.749) 4.015 21.592 ( 0.701 -0.979 -2.699) 2.955 21.592 ( -0.701 -0.979 2.699) 2.955 22.773 ( -4.685 3.131 -0.279) 5.642 22.773 ( 4.685 3.131 0.279) 5.642 22.838 ( -3.513 0.108 -0.114) 3.516 22.838 ( 3.513 0.108 0.114) 3.516 22.879 ( -1.216 -2.380 -0.366) 2.697 22.879 ( 1.216 -2.380 0.366) 2.697 22.947 ( -2.488 -4.537 -1.577) 5.409 22.947 ( 2.488 -4.537 1.577) 5.409 ======================= Grid point 151 (68/70) ======================= q-point: ( 0.17 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -9.530 2.072 -1.898) 9.935 2.138 ( -10.215 -5.886 -2.108) 11.977 2.417 ( 3.961 0.791 -1.177) 4.207 2.458 ( 2.856 -1.983 -0.846) 3.578 2.575 ( 0.615 12.992 1.329) 13.074 2.688 ( 3.530 5.198 -3.569) 7.226 2.747 ( -2.386 1.537 4.633) 5.434 2.809 ( 3.761 2.750 7.235) 8.605 2.903 ( -1.920 4.199 -4.341) 6.338 2.970 ( -1.774 -1.538 0.417) 2.384 3.047 ( -3.940 -0.674 5.412) 6.728 3.109 ( -3.191 -5.675 -3.317) 7.307 3.158 ( -6.290 4.623 -0.832) 7.850 3.310 ( 0.278 -1.904 0.822) 2.092 3.357 ( -3.358 -2.759 -0.285) 4.355 3.373 ( 0.748 2.734 -5.046) 5.788 3.434 ( 5.491 -1.553 3.817) 6.865 3.502 ( -3.640 -5.427 -0.253) 6.540 3.627 ( 0.334 3.400 -3.687) 5.027 3.698 ( -0.557 1.376 -1.768) 2.309 3.731 ( -7.002 -3.709 -0.042) 7.924 3.775 ( 2.069 -7.813 -3.997) 9.016 3.878 ( -1.129 2.953 2.353) 3.941 3.918 ( -5.743 -0.715 1.872) 6.083 3.928 ( -6.809 -4.591 -3.196) 8.812 3.992 ( -5.180 -7.210 -5.475) 10.430 4.126 ( 2.961 7.641 -2.588) 8.594 4.179 ( -3.013 2.362 0.083) 3.830 4.227 ( -0.719 -2.389 0.275) 2.510 4.278 ( 0.408 -6.194 -0.032) 6.207 4.380 ( 1.824 2.608 5.992) 6.785 4.463 ( 3.546 6.009 0.089) 6.978 4.507 ( 3.638 -9.126 0.547) 9.840 4.540 ( 1.707 2.317 2.031) 3.523 4.579 ( -0.213 -7.417 3.378) 8.153 4.679 ( -0.183 -4.879 -3.459) 5.984 4.860 ( 1.571 8.219 -2.926) 8.865 4.978 ( 2.324 -0.364 7.693) 8.045 5.092 ( 2.823 3.899 6.382) 7.994 5.153 ( 0.344 1.365 -5.183) 5.371 5.213 ( -0.092 3.518 0.553) 3.563 5.315 ( 2.883 -3.400 1.151) 4.604 5.339 ( 4.356 -7.724 0.995) 8.923 5.408 ( 1.247 -8.614 5.421) 10.254 5.507 ( -5.396 0.839 0.852) 5.527 5.574 ( 5.509 -1.086 -3.665) 6.705 5.600 ( 6.240 1.876 -4.014) 7.653 5.637 ( 1.817 -0.910 3.216) 3.804 5.700 ( 1.333 4.135 5.504) 7.012 5.794 ( 5.778 1.389 5.939) 8.402 5.817 ( 6.230 -1.586 -0.894) 6.491 5.880 ( 9.274 -4.794 1.764) 10.588 5.998 ( 0.451 -0.885 1.468) 1.772 6.011 ( -0.091 -2.514 -0.109) 2.518 6.098 ( 4.374 7.369 2.594) 8.953 6.243 ( -2.467 -0.285 1.630) 2.970 6.288 ( 6.033 0.440 -4.328) 7.438 6.316 ( 1.600 5.812 3.236) 6.842 6.363 ( 1.592 1.413 -10.563) 10.775 6.481 ( 1.774 -4.696 3.292) 6.003 6.564 ( -4.893 3.294 -1.820) 6.173 6.613 ( -5.999 -1.409 -2.640) 6.704 6.723 ( -9.982 7.331 -6.226) 13.862 6.782 ( 0.838 1.679 -3.972) 4.393 6.831 ( -1.769 -1.656 -3.134) 3.962 6.880 ( -4.861 -1.862 -2.158) 5.635 7.026 ( -8.437 -1.126 -1.590) 8.659 7.094 ( -1.559 0.838 -2.322) 2.920 7.107 ( -6.319 -1.038 -7.999) 10.246 7.247 ( 0.423 -4.934 -2.968) 5.773 7.308 ( -2.735 1.812 -0.735) 3.362 7.396 ( 1.826 -1.528 0.275) 2.397 7.432 ( 1.316 -0.161 5.402) 5.562 7.457 ( 2.781 -3.382 3.964) 5.906 7.543 ( -1.907 4.428 6.469) 8.068 7.611 ( -0.750 -0.032 2.804) 2.903 7.664 ( -0.678 -3.262 5.452) 6.389 7.728 ( 0.568 -12.583 3.174) 12.990 7.801 ( 10.140 2.521 -0.991) 10.495 7.882 ( 7.209 -6.251 -1.169) 9.613 7.998 ( -0.408 7.108 -2.562) 7.567 8.119 ( 4.145 -3.363 6.145) 8.139 8.259 ( -4.996 3.750 -1.721) 6.479 8.306 ( -0.896 1.970 0.173) 2.171 8.360 ( -2.487 4.555 -1.888) 5.523 8.446 ( 4.215 5.586 -2.008) 7.280 8.480 ( -6.280 -3.225 4.852) 8.566 8.550 ( 2.025 0.645 -1.762) 2.760 8.676 ( -8.852 -2.434 -3.617) 9.868 8.748 ( -5.258 -6.380 -3.612) 9.022 8.816 ( 3.768 1.570 0.810) 4.162 8.850 ( 3.250 -2.034 -5.139) 6.411 9.043 ( 0.943 -2.766 -1.198) 3.158 9.077 ( -3.318 -5.748 -1.889) 6.901 9.210 ( -1.640 4.929 -3.319) 6.164 9.312 ( 1.952 -4.506 -0.284) 4.919 9.379 ( 1.412 8.221 7.034) 10.911 9.495 ( -3.294 7.412 -0.457) 8.124 9.551 ( 1.208 -3.956 6.539) 7.737 9.648 ( -0.886 -3.087 1.849) 3.706 9.810 ( -8.115 2.545 -1.189) 8.588 9.894 ( -6.688 -4.013 3.283) 8.462 9.983 ( -1.168 2.037 0.392) 2.381 10.042 ( 1.167 -2.290 1.798) 3.137 10.266 ( 1.333 1.925 -0.064) 2.342 10.283 ( -0.165 -0.307 0.257) 0.433 10.319 ( -0.507 1.381 -5.671) 5.858 10.353 ( -2.056 -0.848 -0.993) 2.436 10.503 ( 4.874 4.490 -2.154) 6.968 10.562 ( 6.162 3.099 2.055) 7.197 10.621 ( 6.300 0.234 0.238) 6.309 10.716 ( 4.460 -4.839 3.017) 7.240 10.887 ( -3.512 2.472 -3.210) 5.361 10.985 ( 0.348 -4.740 -2.150) 5.216 11.009 ( -1.375 7.871 2.665) 8.423 11.067 ( 3.980 9.869 1.865) 10.804 11.175 ( -1.498 -0.553 1.529) 2.211 11.228 ( -1.170 -6.903 -1.276) 7.116 11.336 ( -3.151 -0.300 -1.582) 3.539 11.363 ( -1.930 -1.960 -1.995) 3.398 11.435 ( -0.006 -4.665 -0.517) 4.693 11.458 ( 4.715 -4.629 -1.156) 6.708 11.668 ( 2.029 2.962 2.627) 4.449 11.748 ( 5.641 -2.854 1.142) 6.424 11.816 ( -3.070 9.341 -2.318) 10.102 11.970 ( 1.139 -0.062 -0.056) 1.142 12.058 ( -1.502 -3.524 1.995) 4.319 12.122 ( -0.483 -4.780 -1.380) 4.999 12.173 ( 0.512 2.035 1.918) 2.843 12.212 ( 0.064 -0.179 0.574) 0.605 12.351 ( -0.862 1.897 -0.856) 2.253 12.442 ( 1.560 -5.175 0.442) 5.423 13.243 ( -0.645 2.241 -1.827) 2.962 13.289 ( -0.874 -1.998 -1.098) 2.442 13.318 ( 2.106 2.621 -1.773) 3.801 13.380 ( 2.345 -2.982 -1.010) 3.926 13.626 ( -1.159 2.374 3.852) 4.671 13.653 ( 1.382 0.233 1.746) 2.239 13.731 ( -1.613 0.431 0.724) 1.820 13.761 ( 0.376 -1.805 -0.527) 1.918 13.939 ( 1.349 3.112 -2.364) 4.134 13.970 ( 1.075 0.065 -2.386) 2.618 14.011 ( 1.074 2.651 3.252) 4.331 14.035 ( 1.433 0.334 2.555) 2.949 14.449 ( 0.185 2.544 -2.779) 3.772 14.491 ( -0.065 -1.234 -2.297) 2.608 14.539 ( 0.219 0.857 1.683) 1.901 14.555 ( -0.307 -0.342 1.031) 1.129 15.057 ( -4.987 1.763 -3.061) 6.112 15.111 ( -5.036 -3.711 -2.373) 6.690 15.281 ( -2.848 7.233 1.650) 7.947 15.378 ( -1.339 -1.013 0.541) 1.764 15.610 ( 3.695 5.292 1.954) 6.744 15.703 ( 6.574 -0.120 0.465) 6.591 15.805 ( 3.286 -2.543 2.968) 5.106 15.942 ( 9.196 -12.287 -0.501) 15.356 17.977 ( -0.032 3.554 -1.797) 3.983 17.995 ( -0.222 2.619 1.481) 3.017 18.032 ( 0.352 1.565 -0.921) 1.849 18.060 ( 1.516 -0.102 0.218) 1.535 18.296 ( -7.953 5.287 0.325) 9.555 18.383 ( -7.286 -2.475 0.757) 7.732 18.466 ( -2.717 1.057 0.004) 2.915 18.562 ( -2.287 -6.741 0.178) 7.120 18.641 ( 2.480 6.459 -1.183) 7.019 18.730 ( 2.609 -1.739 -1.214) 3.363 19.041 ( 0.187 4.173 1.082) 4.315 19.116 ( 2.733 -2.549 2.177) 4.325 21.117 ( -1.704 3.592 -7.020) 8.068 21.220 ( -0.883 -6.229 -3.578) 7.237 21.580 ( -2.034 1.614 4.635) 5.313 21.625 ( -1.792 -2.866 5.507) 6.461 22.683 ( -5.393 3.697 0.401) 6.551 22.748 ( -5.406 -1.582 -1.272) 5.775 22.798 ( -1.997 -0.308 -0.149) 2.026 22.829 ( -1.699 -2.320 -0.114) 2.878 22.921 ( 4.430 0.916 0.769) 4.589 22.930 ( 4.460 1.191 -0.780) 4.682 22.970 ( 4.888 -3.035 0.015) 5.754 23.003 ( 2.565 -5.203 -0.467) 5.820 ======================= Grid point 152 (69/70) ======================= q-point: ( 0.33 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -3.758 0.384 -0.001) 3.778 1.982 ( -6.796 -4.360 0.737) 8.108 2.435 ( 3.748 2.826 -1.806) 5.029 2.504 ( 5.267 -2.227 -1.061) 5.816 2.645 ( -1.563 4.187 2.236) 4.998 2.704 ( 0.498 0.412 -1.255) 1.411 2.772 ( -0.248 8.072 -0.307) 8.082 2.800 ( -1.198 8.335 2.531) 8.793 2.940 ( -2.647 -0.067 1.194) 2.904 2.967 ( -6.085 1.897 0.664) 6.408 2.996 ( 1.655 -9.735 -1.496) 9.987 3.048 ( -1.036 -0.013 5.425) 5.523 3.066 ( 1.934 8.650 -0.187) 8.865 3.244 ( -8.830 2.055 2.429) 9.386 3.287 ( 1.944 -9.084 -2.036) 9.510 3.338 ( -2.928 -1.291 -0.686) 3.272 3.427 ( -5.879 -6.332 2.008) 8.871 3.483 ( -6.849 2.878 1.583) 7.596 3.548 ( -3.756 -6.144 -6.962) 10.017 3.615 ( -1.801 -3.052 0.235) 3.552 3.688 ( 5.657 -0.201 -3.513) 6.662 3.733 ( -0.862 -5.203 -7.214) 8.936 3.827 ( -1.547 0.151 2.601) 3.030 3.869 ( -0.476 7.380 2.794) 7.905 3.966 ( 4.533 -5.546 -2.480) 7.580 3.997 ( 1.120 -3.125 0.490) 3.356 4.087 ( -2.693 0.634 -0.462) 2.805 4.125 ( -1.026 1.391 1.666) 2.400 4.276 ( 1.532 -2.713 4.178) 5.211 4.317 ( 3.859 -5.062 -0.245) 6.370 4.389 ( -4.251 3.694 0.396) 5.646 4.443 ( -5.614 2.556 -3.176) 6.938 4.501 ( -0.575 -0.809 -4.295) 4.408 4.573 ( -4.135 0.144 1.084) 4.277 4.640 ( 2.429 -5.232 5.291) 7.828 4.660 ( 2.388 -7.484 5.052) 9.340 4.873 ( 6.180 1.600 -6.902) 9.401 5.015 ( 2.442 -9.160 -9.553) 13.459 5.132 ( 3.864 8.408 1.759) 9.419 5.193 ( 0.953 6.211 4.922) 7.981 5.235 ( -1.884 3.577 1.240) 4.229 5.358 ( 6.000 -5.251 -0.151) 7.975 5.415 ( -0.012 0.051 -0.444) 0.447 5.436 ( 4.365 -2.639 -0.474) 5.123 5.535 ( -1.711 0.242 7.757) 7.947 5.547 ( -0.977 0.872 2.038) 2.422 5.681 ( 0.637 -1.170 -2.358) 2.708 5.726 ( -3.748 -3.308 4.647) 6.825 5.785 ( 3.040 3.290 -4.338) 6.236 5.813 ( 2.620 0.540 -7.533) 7.994 5.948 ( 1.404 2.979 -1.779) 3.743 6.004 ( 5.116 4.968 6.340) 9.542 6.019 ( 1.150 -0.155 7.009) 7.104 6.103 ( -1.677 -4.700 1.520) 5.217 6.171 ( 2.250 2.023 -3.957) 4.981 6.228 ( 6.434 -2.839 -0.926) 7.093 6.325 ( 1.989 6.407 -0.135) 6.710 6.382 ( 7.470 3.020 5.136) 9.555 6.448 ( 2.317 0.576 -2.064) 3.156 6.477 ( 5.221 -1.591 -8.943) 10.477 6.511 ( 1.165 2.088 3.635) 4.351 6.529 ( 1.797 -3.177 2.761) 4.576 6.668 ( -2.147 1.521 2.086) 3.358 6.745 ( 5.509 0.963 1.915) 5.911 6.771 ( -1.789 1.797 3.561) 4.371 6.859 ( -1.731 -5.215 0.375) 5.508 6.892 ( -7.688 -1.315 1.750) 7.993 6.922 ( -5.291 -5.555 -1.622) 7.841 7.077 ( 0.980 4.035 -4.114) 5.845 7.170 ( -4.184 -3.215 -2.976) 6.058 7.223 ( -2.947 4.567 -4.471) 7.038 7.351 ( -7.045 1.923 -1.925) 7.552 7.422 ( -6.155 2.190 2.564) 7.018 7.570 ( 3.174 2.048 0.939) 3.892 7.578 ( -2.815 -5.467 -4.450) 7.591 7.625 ( 2.940 -4.191 3.267) 6.073 7.685 ( 0.946 2.974 3.084) 4.387 7.751 ( 1.387 -3.965 3.713) 5.606 7.885 ( 0.793 -0.507 0.713) 1.181 7.972 ( 4.805 -1.478 1.342) 5.203 8.000 ( -4.072 2.927 -1.914) 5.368 8.090 ( -0.592 -2.987 0.410) 3.073 8.185 ( -7.842 2.776 -4.445) 9.432 8.250 ( 3.341 -3.952 -3.137) 6.051 8.323 ( -9.094 0.587 -3.255) 9.677 8.390 ( 1.449 -4.972 2.797) 5.886 8.496 ( 0.235 -0.428 -0.874) 1.001 8.554 ( -3.198 -5.976 -3.606) 7.677 8.630 ( 8.274 4.560 0.868) 9.487 8.726 ( 2.912 -3.310 0.490) 4.436 8.800 ( -1.948 0.856 -3.357) 3.975 8.856 ( 3.202 -3.022 0.826) 4.480 9.012 ( -3.305 3.263 -0.848) 4.721 9.042 ( -0.445 -1.571 0.348) 1.670 9.143 ( 1.951 -3.264 -6.342) 7.395 9.209 ( -6.453 -6.361 -3.299) 9.643 9.438 ( -5.085 7.199 0.837) 8.854 9.537 ( -1.374 -0.209 6.135) 6.290 9.599 ( -2.132 3.851 0.214) 4.407 9.664 ( 2.102 -1.764 1.644) 3.199 9.756 ( -1.555 3.883 5.575) 6.969 9.823 ( -0.277 -0.732 6.243) 6.292 9.964 ( -0.888 3.725 -1.347) 4.060 10.049 ( -4.419 -3.702 5.129) 7.716 10.253 ( 1.909 4.118 -6.640) 8.043 10.268 ( -1.079 2.357 -1.706) 3.103 10.341 ( 4.647 0.590 0.405) 4.702 10.356 ( 2.940 -2.023 -0.297) 3.581 10.560 ( 2.076 1.187 -1.718) 2.944 10.640 ( -0.847 -3.871 -0.535) 3.999 10.728 ( 4.683 3.105 2.348) 6.090 10.785 ( 3.917 4.424 -0.518) 5.931 10.848 ( 1.358 -0.470 3.378) 3.671 10.954 ( -0.378 1.629 -3.003) 3.437 11.033 ( 2.175 -0.622 -0.179) 2.270 11.096 ( -4.087 5.835 -1.559) 7.293 11.167 ( -1.052 -0.536 -0.237) 1.204 11.219 ( 1.322 0.613 4.354) 4.591 11.280 ( -1.847 -1.385 -0.243) 2.322 11.297 ( -2.219 -6.265 -1.368) 6.785 11.460 ( 1.315 -2.652 1.065) 3.146 11.505 ( 2.871 -5.130 -3.345) 6.764 11.728 ( 1.738 3.763 0.704) 4.205 11.760 ( 0.241 4.841 0.114) 4.848 11.847 ( 3.022 -3.223 0.444) 4.440 11.935 ( -2.712 -8.193 -1.435) 8.749 12.074 ( -1.104 0.995 -0.237) 1.505 12.089 ( 0.815 2.960 -0.059) 3.071 12.223 ( 1.473 0.919 2.137) 2.754 12.227 ( 0.748 1.788 1.127) 2.242 12.340 ( 0.417 2.217 -0.136) 2.260 12.439 ( -1.475 -5.062 -1.331) 5.438 13.220 ( 0.179 2.326 -1.283) 2.662 13.260 ( -0.174 -1.301 -2.721) 3.021 13.342 ( 1.671 2.139 0.690) 2.800 13.399 ( 1.084 -2.863 -1.059) 3.240 13.653 ( -0.798 2.265 3.279) 4.064 13.679 ( 0.073 0.007 0.109) 0.131 13.713 ( -1.241 0.463 1.037) 1.682 13.746 ( -0.024 -1.727 -2.140) 2.750 13.942 ( 1.084 2.556 -1.061) 2.972 13.959 ( 0.471 0.866 -1.722) 1.984 14.069 ( 1.057 2.099 2.774) 3.636 14.085 ( 1.438 0.540 1.051) 1.862 14.446 ( 1.575 0.990 -0.901) 2.067 14.475 ( 0.832 -1.790 -1.836) 2.696 14.558 ( -0.460 -0.050 1.687) 1.749 14.560 ( 0.231 -0.194 0.551) 0.628 14.977 ( -2.179 1.520 0.498) 2.704 15.021 ( -3.216 -2.813 -0.329) 4.285 15.301 ( 0.558 4.643 5.067) 6.896 15.376 ( 0.040 -2.175 1.756) 2.795 15.703 ( 3.431 5.171 1.382) 6.358 15.779 ( 1.623 -1.429 -0.205) 2.172 15.894 ( 5.828 2.557 -1.899) 6.642 16.021 ( 2.660 -9.143 -4.045) 10.345 17.960 ( 0.112 6.040 -1.226) 6.164 17.990 ( -1.336 3.715 -0.523) 3.983 18.053 ( 3.016 -2.010 -0.402) 3.647 18.065 ( 0.039 -2.873 -1.022) 3.050 18.209 ( -3.056 2.838 1.759) 4.526 18.270 ( -6.225 -3.695 1.328) 7.359 18.387 ( -5.049 2.077 -0.630) 5.496 18.459 ( -6.860 -3.731 -1.066) 7.881 18.697 ( 3.881 3.596 -1.286) 5.445 18.748 ( 0.577 -0.609 -0.526) 0.990 19.101 ( 2.711 6.217 4.235) 7.996 19.186 ( 2.154 -1.488 1.292) 2.919 21.020 ( -1.055 2.232 -4.283) 4.944 21.116 ( -3.610 -6.675 -5.860) 9.588 21.621 ( 0.079 0.856 4.220) 4.306 21.654 ( -2.123 -2.383 5.008) 5.939 22.607 ( -3.576 1.672 0.349) 3.963 22.644 ( -3.767 -2.143 -2.174) 4.848 22.770 ( -0.117 1.444 -0.115) 1.454 22.811 ( -1.426 -1.872 0.511) 2.408 22.984 ( 3.146 -0.382 -0.850) 3.281 23.006 ( 2.775 -0.449 0.352) 2.833 23.028 ( 1.997 -2.263 -0.351) 3.038 23.044 ( 2.682 -1.666 0.693) 3.232 ======================= Grid point 153 (70/70) ======================= q-point: (-0.50 0.44 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-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 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 1.657 -1.752 -2.098) 3.197 1.918 ( -1.657 -1.752 2.098) 3.197 2.527 ( -2.499 2.285 -3.924) 5.183 2.527 ( 2.499 2.285 3.924) 5.183 2.646 ( -2.633 -2.332 -2.362) 4.237 2.646 ( 2.633 -2.332 2.362) 4.237 2.781 ( 0.285 1.492 -6.124) 6.309 2.781 ( -0.285 1.492 6.124) 6.309 2.889 ( 3.147 7.924 -4.449) 9.617 2.889 ( -3.147 7.924 4.449) 9.617 3.084 ( -2.083 0.440 -0.671) 2.232 3.084 ( 2.083 0.440 0.671) 2.232 3.142 ( 1.774 -3.153 -6.112) 7.103 3.142 ( -1.774 -3.153 6.112) 7.103 3.268 ( -6.610 1.942 -1.451) 7.040 3.268 ( 6.610 1.942 1.451) 7.040 3.428 ( -2.913 -8.966 -4.987) 10.665 3.428 ( 2.913 -8.966 4.987) 10.665 3.537 ( -2.212 1.339 -8.342) 8.733 3.537 ( 2.212 1.339 8.342) 8.733 3.682 ( 5.148 -4.317 -10.095) 12.126 3.682 ( -5.148 -4.317 10.095) 12.126 3.886 ( -1.816 2.607 -1.915) 3.709 3.886 ( 1.816 2.607 1.915) 3.709 3.959 ( -0.025 1.800 -2.661) 3.213 3.959 ( 0.025 1.800 2.661) 3.213 4.141 ( -1.210 -4.130 -2.338) 4.898 4.141 ( 1.210 -4.130 2.338) 4.898 4.272 ( 0.279 -1.330 -2.349) 2.713 4.272 ( -0.279 -1.330 2.349) 2.713 4.411 ( -2.031 -0.872 -5.030) 5.494 4.411 ( 2.031 -0.872 5.030) 5.494 4.469 ( -4.264 -4.850 -3.344) 7.272 4.469 ( 4.264 -4.850 3.344) 7.272 4.715 ( 2.301 -4.069 -3.371) 5.763 4.715 ( -2.301 -4.069 3.371) 5.763 4.936 ( -4.034 -3.680 -2.945) 6.204 4.936 ( 4.034 -3.680 2.945) 6.204 5.201 ( 1.489 10.016 -3.378) 10.675 5.201 ( -1.489 10.016 3.378) 10.675 5.348 ( -5.738 3.184 -2.069) 6.881 5.348 ( 5.738 3.184 2.069) 6.881 5.448 ( -1.558 -3.596 -1.181) 4.093 5.448 ( 1.558 -3.596 1.181) 4.093 5.547 ( -3.902 -4.921 -2.814) 6.882 5.547 ( 3.902 -4.921 2.814) 6.882 5.681 ( -2.819 3.797 -5.256) 7.071 5.681 ( 2.819 3.797 5.256) 7.071 5.756 ( 0.657 4.053 -2.255) 4.684 5.756 ( -0.657 4.053 2.255) 4.684 5.988 ( -2.151 -0.513 -1.419) 2.627 5.988 ( 2.151 -0.513 1.419) 2.627 6.110 ( -0.380 4.581 -6.680) 8.109 6.110 ( 0.380 4.581 6.680) 8.109 6.215 ( -2.909 -1.389 -10.429) 10.916 6.215 ( 2.909 -1.389 10.429) 10.916 6.369 ( 2.065 1.809 -9.329) 9.724 6.369 ( -2.065 1.809 9.329) 9.724 6.528 ( 6.754 2.236 -4.626) 8.486 6.528 ( -6.754 2.236 4.626) 8.486 6.619 ( 0.813 1.505 -1.299) 2.148 6.619 ( -0.813 1.505 1.299) 2.148 6.681 ( -9.443 -3.296 -1.339) 10.091 6.681 ( 9.443 -3.296 1.339) 10.091 6.846 ( 4.483 -6.415 -4.987) 9.280 6.846 ( -4.483 -6.415 4.987) 9.280 6.927 ( -3.435 1.520 -3.727) 5.292 6.927 ( 3.435 1.520 3.727) 5.292 7.055 ( -5.425 -4.451 -5.395) 8.851 7.055 ( 5.425 -4.451 5.395) 8.851 7.170 ( -2.042 8.024 -1.537) 8.421 7.170 ( 2.042 8.024 1.537) 8.421 7.410 ( -1.037 -1.962 -7.293) 7.623 7.410 ( 1.037 -1.962 7.293) 7.623 7.636 ( -0.308 -2.233 -2.454) 3.332 7.636 ( 0.308 -2.233 2.454) 3.332 7.818 ( -4.298 4.516 -4.961) 7.967 7.818 ( 4.298 4.516 4.961) 7.967 7.900 ( -5.745 -3.294 -6.252) 9.107 7.900 ( 5.745 -3.294 6.252) 9.107 8.038 ( -0.283 -4.539 -3.156) 5.535 8.038 ( 0.283 -4.539 3.156) 5.535 8.152 ( -3.155 4.793 -3.980) 6.983 8.152 ( 3.155 4.793 3.980) 6.983 8.349 ( -5.905 -11.089 -4.181) 13.241 8.349 ( 5.905 -11.089 4.181) 13.241 8.480 ( -0.000 -1.118 -3.720) 3.884 8.480 ( 0.000 -1.118 3.720) 3.884 8.717 ( 2.521 2.724 -4.576) 5.892 8.717 ( -2.521 2.724 4.576) 5.892 8.863 ( -5.165 2.232 -7.529) 9.399 8.863 ( 5.165 2.232 7.529) 9.399 8.991 ( -4.009 -7.756 -7.436) 11.468 8.991 ( 4.009 -7.756 7.436) 11.468 9.147 ( -3.533 3.077 -3.895) 6.093 9.147 ( 3.533 3.077 3.895) 6.093 9.420 ( -3.321 0.332 -3.312) 4.702 9.420 ( 3.321 0.332 3.312) 4.702 9.658 ( -0.760 -0.996 -2.152) 2.490 9.658 ( 0.760 -0.996 2.152) 2.490 9.839 ( -3.672 5.255 -2.659) 6.940 9.839 ( 3.672 5.255 2.659) 6.940 10.005 ( -4.184 -0.128 0.291) 4.196 10.005 ( 4.184 -0.128 -0.291) 4.196 10.235 ( 2.307 3.548 -2.637) 4.986 10.235 ( -2.307 3.548 2.637) 4.986 10.391 ( -0.281 0.262 -0.461) 0.600 10.391 ( 0.281 0.262 0.461) 0.600 10.573 ( -2.578 -3.254 -1.379) 4.375 10.573 ( 2.578 -3.254 1.379) 4.375 10.820 ( -0.641 1.674 -2.937) 3.441 10.820 ( 0.641 1.674 2.937) 3.441 10.934 ( 1.921 1.547 -4.328) 4.981 10.934 ( -1.921 1.547 4.328) 4.981 11.008 ( 2.491 4.165 -4.059) 6.327 11.008 ( -2.491 4.165 4.059) 6.327 11.203 ( -5.000 -5.122 1.164) 7.252 11.203 ( 5.000 -5.122 -1.164) 7.252 11.288 ( 0.060 2.966 -2.821) 4.094 11.288 ( -0.060 2.966 2.821) 4.094 11.484 ( 1.801 -4.826 -4.651) 6.940 11.484 ( -1.801 -4.826 4.651) 6.940 11.769 ( -0.776 1.585 -1.011) 2.033 11.769 ( 0.776 1.585 1.011) 2.033 11.875 ( 0.155 -6.461 -1.780) 6.703 11.875 ( -0.155 -6.461 1.780) 6.703 12.081 ( -0.674 4.397 -1.410) 4.667 12.081 ( 0.674 4.397 1.410) 4.667 12.248 ( 0.758 2.779 -1.147) 3.100 12.248 ( -0.758 2.779 1.147) 3.100 12.377 ( -1.988 -2.671 -2.312) 4.054 12.377 ( 1.988 -2.671 2.312) 4.054 13.226 ( -0.565 1.465 -1.153) 1.948 13.226 ( 0.565 1.465 1.153) 1.948 13.384 ( -1.021 -1.292 -1.538) 2.253 13.384 ( 1.021 -1.292 1.538) 2.253 13.668 ( 0.980 2.076 -2.354) 3.288 13.668 ( -0.980 2.076 2.354) 3.288 13.722 ( 0.621 -1.523 -2.489) 2.984 13.722 ( -0.621 -1.523 2.489) 2.984 13.949 ( -0.213 1.689 -0.356) 1.739 13.949 ( 0.213 1.689 0.356) 1.739 14.099 ( 0.220 1.159 -1.073) 1.595 14.099 ( -0.220 1.159 1.073) 1.595 14.464 ( -0.377 -0.860 -0.809) 1.239 14.464 ( 0.377 -0.860 0.809) 1.239 14.566 ( 0.496 -0.358 -1.008) 1.179 14.566 ( -0.496 -0.358 1.008) 1.179 14.982 ( -0.912 -0.243 -0.965) 1.350 14.982 ( 0.912 -0.243 0.965) 1.350 15.375 ( -0.475 0.764 -3.505) 3.618 15.375 ( 0.475 0.764 3.505) 3.618 15.759 ( -1.568 1.918 -1.599) 2.949 15.759 ( 1.568 1.918 1.599) 2.949 15.969 ( -3.065 -2.147 -1.656) 4.092 15.969 ( 3.065 -2.147 1.656) 4.092 17.963 ( 0.507 4.640 -1.714) 4.973 17.963 ( -0.507 4.640 1.714) 4.973 18.065 ( 0.237 -4.327 -1.183) 4.492 18.065 ( -0.237 -4.327 1.183) 4.492 18.223 ( -0.189 1.236 -1.103) 1.667 18.223 ( 0.189 1.236 1.103) 1.667 18.348 ( -2.337 -1.185 -1.385) 2.964 18.348 ( 2.337 -1.185 1.385) 2.964 18.736 ( -0.531 1.258 -0.465) 1.442 18.736 ( 0.531 1.258 0.465) 1.442 19.187 ( -1.263 3.497 -2.878) 4.702 19.187 ( 1.263 3.497 2.878) 4.702 21.013 ( -1.984 -3.004 -2.054) 4.144 21.013 ( 1.984 -3.004 2.054) 4.144 21.657 ( 0.814 -0.805 -1.174) 1.639 21.657 ( -0.814 -0.805 1.174) 1.639 22.587 ( -0.027 -0.977 -1.660) 1.926 22.587 ( 0.027 -0.977 1.660) 1.926 22.787 ( -1.369 0.572 -0.352) 1.525 22.787 ( 1.369 0.572 0.352) 1.525 23.012 ( -0.616 -2.148 0.128) 2.238 23.012 ( 0.616 -2.148 -0.128) 2.238 23.065 ( -0.875 -0.175 0.069) 0.895 23.065 ( 0.875 -0.175 -0.069) 0.895 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/38880 10.0 1138.532 628.883 1314.273 0.000 69.450 0.000 3/38880 20.0 83.454 86.241 107.410 0.000 -2.277 0.000 3/38880 30.0 25.015 28.946 31.513 0.000 -1.027 0.000 3/38880 40.0 12.394 14.635 15.261 0.000 -0.581 0.000 3/38880 50.0 7.786 9.220 9.406 0.000 -0.382 0.000 3/38880 60.0 5.576 6.594 6.633 0.000 -0.275 0.000 3/38880 70.0 4.326 5.102 5.082 0.000 -0.210 0.000 3/38880 80.0 3.536 4.157 4.111 0.000 -0.167 0.000 3/38880 90.0 2.996 3.513 3.453 0.000 -0.137 0.000 3/38880 100.0 2.604 3.047 2.981 0.000 -0.115 0.000 3/38880 110.0 2.307 2.695 2.625 0.000 -0.098 0.000 3/38880 120.0 2.074 2.420 2.347 0.000 -0.085 0.000 3/38880 130.0 1.886 2.200 2.125 0.000 -0.075 0.000 3/38880 140.0 1.732 2.018 1.943 0.000 -0.067 0.000 3/38880 150.0 1.602 1.867 1.791 0.000 -0.060 0.000 3/38880 160.0 1.491 1.738 1.662 0.000 -0.054 0.000 3/38880 170.0 1.396 1.627 1.551 0.000 -0.049 0.000 3/38880 180.0 1.313 1.530 1.454 0.000 -0.045 0.000 3/38880 190.0 1.239 1.444 1.370 0.000 -0.042 0.000 3/38880 200.0 1.174 1.369 1.295 0.000 -0.039 0.000 3/38880 210.0 1.116 1.301 1.228 0.000 -0.036 0.000 3/38880 220.0 1.064 1.240 1.168 0.000 -0.034 0.000 3/38880 230.0 1.016 1.184 1.114 0.000 -0.031 0.000 3/38880 240.0 0.973 1.134 1.065 0.000 -0.030 0.000 3/38880 250.0 0.933 1.088 1.020 0.000 -0.028 0.000 3/38880 260.0 0.897 1.045 0.979 0.000 -0.026 0.000 3/38880 270.0 0.863 1.006 0.941 0.000 -0.025 0.000 3/38880 280.0 0.832 0.970 0.906 0.000 -0.024 0.000 3/38880 290.0 0.803 0.936 0.874 0.000 -0.023 0.000 3/38880 300.0 0.777 0.905 0.843 0.000 -0.022 0.000 3/38880 310.0 0.751 0.876 0.815 0.000 -0.021 0.000 3/38880 320.0 0.728 0.849 0.789 0.000 -0.020 0.000 3/38880 330.0 0.706 0.823 0.765 0.000 -0.019 0.000 3/38880 340.0 0.685 0.799 0.742 0.000 -0.019 0.000 3/38880 350.0 0.666 0.776 0.720 0.000 -0.018 0.000 3/38880 360.0 0.647 0.754 0.700 0.000 -0.017 0.000 3/38880 370.0 0.630 0.734 0.681 0.000 -0.017 0.000 3/38880 380.0 0.613 0.715 0.662 0.000 -0.016 0.000 3/38880 390.0 0.598 0.697 0.645 0.000 -0.016 0.000 3/38880 400.0 0.583 0.679 0.629 0.000 -0.015 0.000 3/38880 410.0 0.569 0.663 0.613 0.000 -0.015 0.000 3/38880 420.0 0.555 0.647 0.599 0.000 -0.014 0.000 3/38880 430.0 0.543 0.632 0.584 0.000 -0.014 0.000 3/38880 440.0 0.530 0.618 0.571 0.000 -0.013 0.000 3/38880 450.0 0.519 0.604 0.558 0.000 -0.013 0.000 3/38880 460.0 0.507 0.591 0.546 0.000 -0.013 0.000 3/38880 470.0 0.497 0.579 0.534 0.000 -0.012 0.000 3/38880 480.0 0.487 0.567 0.523 0.000 -0.012 0.000 3/38880 490.0 0.477 0.555 0.512 0.000 -0.012 0.000 3/38880 500.0 0.467 0.544 0.502 0.000 -0.012 0.000 3/38880 510.0 0.458 0.534 0.492 0.000 -0.011 0.000 3/38880 520.0 0.449 0.523 0.483 0.000 -0.011 0.000 3/38880 530.0 0.441 0.514 0.474 0.000 -0.011 0.000 3/38880 540.0 0.433 0.504 0.465 0.000 -0.011 0.000 3/38880 550.0 0.425 0.495 0.456 0.000 -0.010 0.000 3/38880 560.0 0.417 0.486 0.448 0.000 -0.010 0.000 3/38880 570.0 0.410 0.478 0.440 0.000 -0.010 0.000 3/38880 580.0 0.403 0.470 0.433 0.000 -0.010 0.000 3/38880 590.0 0.396 0.462 0.425 0.000 -0.010 0.000 3/38880 600.0 0.390 0.454 0.418 0.000 -0.009 0.000 3/38880 610.0 0.383 0.447 0.411 0.000 -0.009 0.000 3/38880 620.0 0.377 0.439 0.405 0.000 -0.009 0.000 3/38880 630.0 0.371 0.432 0.398 0.000 -0.009 0.000 3/38880 640.0 0.366 0.426 0.392 0.000 -0.009 0.000 3/38880 650.0 0.360 0.419 0.386 0.000 -0.009 0.000 3/38880 660.0 0.355 0.413 0.380 0.000 -0.008 0.000 3/38880 670.0 0.349 0.407 0.374 0.000 -0.008 0.000 3/38880 680.0 0.344 0.401 0.369 0.000 -0.008 0.000 3/38880 690.0 0.339 0.395 0.363 0.000 -0.008 0.000 3/38880 700.0 0.334 0.389 0.358 0.000 -0.008 0.000 3/38880 710.0 0.330 0.384 0.353 0.000 -0.008 0.000 3/38880 720.0 0.325 0.379 0.348 0.000 -0.008 0.000 3/38880 730.0 0.321 0.373 0.343 0.000 -0.008 0.000 3/38880 740.0 0.317 0.368 0.339 0.000 -0.007 0.000 3/38880 750.0 0.312 0.364 0.334 0.000 -0.007 0.000 3/38880 760.0 0.308 0.359 0.330 0.000 -0.007 0.000 3/38880 770.0 0.304 0.354 0.326 0.000 -0.007 0.000 3/38880 780.0 0.300 0.350 0.321 0.000 -0.007 0.000 3/38880 790.0 0.297 0.345 0.317 0.000 -0.007 0.000 3/38880 800.0 0.293 0.341 0.313 0.000 -0.007 0.000 3/38880 810.0 0.289 0.337 0.310 0.000 -0.007 0.000 3/38880 820.0 0.286 0.333 0.306 0.000 -0.007 0.000 3/38880 830.0 0.282 0.329 0.302 0.000 -0.007 0.000 3/38880 840.0 0.279 0.325 0.298 0.000 -0.007 0.000 3/38880 850.0 0.276 0.321 0.295 0.000 -0.006 0.000 3/38880 860.0 0.273 0.317 0.292 0.000 -0.006 0.000 3/38880 870.0 0.269 0.314 0.288 0.000 -0.006 0.000 3/38880 880.0 0.266 0.310 0.285 0.000 -0.006 0.000 3/38880 890.0 0.263 0.307 0.282 0.000 -0.006 0.000 3/38880 900.0 0.260 0.303 0.279 0.000 -0.006 0.000 3/38880 910.0 0.258 0.300 0.275 0.000 -0.006 0.000 3/38880 920.0 0.255 0.297 0.272 0.000 -0.006 0.000 3/38880 930.0 0.252 0.293 0.270 0.000 -0.006 0.000 3/38880 940.0 0.249 0.290 0.267 0.000 -0.006 0.000 3/38880 950.0 0.247 0.287 0.264 0.000 -0.006 0.000 3/38880 960.0 0.244 0.284 0.261 0.000 -0.006 0.000 3/38880 970.0 0.242 0.281 0.258 0.000 -0.006 0.000 3/38880 980.0 0.239 0.279 0.256 0.000 -0.006 0.000 3/38880 990.0 0.237 0.276 0.253 0.000 -0.006 0.000 3/38880 1000.0 0.235 0.273 0.251 0.000 -0.005 0.000 3/38880 Thermal conductivity related properties were written into "kappa-m694.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:42:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|