----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:18:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.696479570729531 0.000000000000000 0.000000000000000 b 0.000000000000000 5.593629400000001 0.000000000000000 c -0.045073321821736 0.000000000000000 11.123703151652402 Atomic positions (fractional): *1 O 0.24786185257407 0.35177525718154 0.87244321469961 15.999 2 O 0.75213814742593 0.85177525718154 0.62755678530039 15.999 3 O 0.75213814742593 0.64822474281846 0.12755678530039 15.999 4 O 0.24786185257407 0.14822474281846 0.37244321469961 15.999 *5 O 0.74827126995315 0.53450782965264 0.85401090586799 15.999 6 O 0.25172873004685 0.03450782965264 0.64598909413201 15.999 7 O 0.25172873004685 0.46549217034736 0.14598909413201 15.999 8 O 0.74827126995315 0.96549217034736 0.35401090586799 15.999 *9 O 0.55401308039151 0.36079075878090 0.28782014970232 15.999 10 O 0.44598691960849 0.86079075878090 0.21217985029768 15.999 11 O 0.44598691960849 0.63920924121910 0.71217985029769 15.999 12 O 0.55401308039151 0.13920924121910 0.78782014970231 15.999 *13 O 0.96439271275508 0.22166740573610 0.52565230719728 15.999 14 O 0.03560728724492 0.72166740573610 0.97434769280272 15.999 15 O 0.03560728724492 0.77833259426390 0.47434769280272 15.999 16 O 0.96439271275508 0.27833259426390 0.02565230719728 15.999 *17 O 0.53523734894192 0.27760906946853 0.02549591909621 15.999 18 O 0.46476265105808 0.77760906946853 0.47450408090379 15.999 19 O 0.46476265105808 0.72239093053147 0.97450408090379 15.999 20 O 0.53523734894192 0.22239093053147 0.52549591909621 15.999 *21 O 0.94819093926242 0.36548931829763 0.28856002782840 15.999 22 O 0.05180906073758 0.86548931829763 0.21143997217160 15.999 23 O 0.05180906073758 0.63451068170237 0.71143997217160 15.999 24 O 0.94819093926242 0.13451068170237 0.78856002782840 15.999 *25 Sr 0.75010243118426 0.53789767905854 0.45957240586675 87.620 26 Sr 0.24989756881574 0.03789767905854 0.04042759413325 87.620 27 Sr 0.24989756881574 0.46210232094146 0.54042759413325 87.620 28 Sr 0.75010243118426 0.96210232094146 0.95957240586675 87.620 *29 Nb 0.99282423442795 0.47226754086649 0.85650911817381 92.906 30 Nb 0.00717576557205 0.97226754086649 0.64349088182619 92.906 31 Nb 0.00717576557205 0.52773245913351 0.14349088182619 92.906 32 Nb 0.99282423442795 0.02773245913351 0.35650911817381 92.906 *33 Nb 0.48052671839010 0.46658878097806 0.85750726617078 92.906 34 Nb 0.51947328160990 0.96658878097806 0.64249273382922 92.906 35 Nb 0.51947328160990 0.53341121902194 0.14249273382922 92.906 36 Nb 0.48052671839010 0.03341121902195 0.35750726617078 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.696479570729531 0.000000000000000 0.000000000000000 b 0.000000000000000 5.593629400000001 0.000000000000000 c -0.045073321821736 0.000000000000000 11.123703151652402 Atomic positions (fractional): *1 O 0.24786185257407 0.35177525718154 0.87244321469961 15.999 > 1 2 O 0.75213814742593 0.85177525718154 0.62755678530039 15.999 > 2 3 O 0.75213814742593 0.64822474281846 0.12755678530039 15.999 > 3 4 O 0.24786185257407 0.14822474281846 0.37244321469961 15.999 > 4 *5 O 0.74827126995315 0.53450782965264 0.85401090586799 15.999 > 5 6 O 0.25172873004685 0.03450782965264 0.64598909413201 15.999 > 6 7 O 0.25172873004685 0.46549217034736 0.14598909413201 15.999 > 7 8 O 0.74827126995315 0.96549217034736 0.35401090586799 15.999 > 8 *9 O 0.55401308039151 0.36079075878090 0.28782014970232 15.999 > 9 10 O 0.44598691960849 0.86079075878090 0.21217985029768 15.999 > 10 11 O 0.44598691960849 0.63920924121910 0.71217985029769 15.999 > 11 12 O 0.55401308039151 0.13920924121910 0.78782014970231 15.999 > 12 *13 O 0.96439271275508 0.22166740573610 0.52565230719728 15.999 > 13 14 O 0.03560728724492 0.72166740573610 0.97434769280272 15.999 > 14 15 O 0.03560728724492 0.77833259426390 0.47434769280272 15.999 > 15 16 O 0.96439271275508 0.27833259426390 0.02565230719728 15.999 > 16 *17 O 0.53523734894192 0.27760906946853 0.02549591909621 15.999 > 17 18 O 0.46476265105808 0.77760906946853 0.47450408090379 15.999 > 18 19 O 0.46476265105808 0.72239093053147 0.97450408090379 15.999 > 19 20 O 0.53523734894192 0.22239093053147 0.52549591909621 15.999 > 20 *21 O 0.94819093926242 0.36548931829763 0.28856002782840 15.999 > 21 22 O 0.05180906073758 0.86548931829763 0.21143997217160 15.999 > 22 23 O 0.05180906073758 0.63451068170237 0.71143997217160 15.999 > 23 24 O 0.94819093926242 0.13451068170237 0.78856002782840 15.999 > 24 *25 Sr 0.75010243118426 0.53789767905854 0.45957240586675 87.620 > 25 26 Sr 0.24989756881574 0.03789767905854 0.04042759413325 87.620 > 26 27 Sr 0.24989756881574 0.46210232094146 0.54042759413325 87.620 > 27 28 Sr 0.75010243118426 0.96210232094146 0.95957240586675 87.620 > 28 *29 Nb 0.99282423442795 0.47226754086649 0.85650911817381 92.906 > 29 30 Nb 0.00717576557205 0.97226754086649 0.64349088182619 92.906 > 30 31 Nb 0.00717576557205 0.52773245913351 0.14349088182619 92.906 > 31 32 Nb 0.99282423442795 0.02773245913351 0.35650911817381 92.906 > 32 *33 Nb 0.48052671839010 0.46658878097806 0.85750726617078 92.906 > 33 34 Nb 0.51947328160990 0.96658878097806 0.64249273382922 92.906 > 34 35 Nb 0.51947328160990 0.53341121902194 0.14249273382922 92.906 > 35 36 Nb 0.48052671839010 0.03341121902195 0.35750726617078 92.906 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.392959141459063 0.000000000000000 0.000000000000000 b 0.000000000000000 11.187258800000002 0.000000000000000 c -0.045073321821736 0.000000000000000 11.123703151652402 Atomic positions (fractional): *1 O 0.12393092628704 0.17588762859077 0.87244321469961 15.999 > 1 2 O 0.62393092628704 0.17588762859077 0.87244321469961 15.999 > 1 3 O 0.12393092628704 0.67588762859077 0.87244321469961 15.999 > 1 4 O 0.62393092628704 0.67588762859077 0.87244321469961 15.999 > 1 5 O 0.37606907371296 0.42588762859077 0.62755678530039 15.999 > 2 6 O 0.87606907371296 0.42588762859077 0.62755678530039 15.999 > 2 7 O 0.37606907371296 0.92588762859077 0.62755678530039 15.999 > 2 8 O 0.87606907371296 0.92588762859077 0.62755678530039 15.999 > 2 9 O 0.37606907371296 0.32411237140923 0.12755678530039 15.999 > 3 10 O 0.87606907371296 0.32411237140923 0.12755678530039 15.999 > 3 11 O 0.37606907371296 0.82411237140923 0.12755678530039 15.999 > 3 12 O 0.87606907371296 0.82411237140923 0.12755678530039 15.999 > 3 13 O 0.12393092628704 0.07411237140923 0.37244321469961 15.999 > 4 14 O 0.62393092628704 0.07411237140923 0.37244321469961 15.999 > 4 15 O 0.12393092628704 0.57411237140923 0.37244321469961 15.999 > 4 16 O 0.62393092628704 0.57411237140923 0.37244321469961 15.999 > 4 *17 O 0.37413563497658 0.26725391482632 0.85401090586799 15.999 > 5 18 O 0.87413563497658 0.26725391482632 0.85401090586799 15.999 > 5 19 O 0.37413563497658 0.76725391482632 0.85401090586799 15.999 > 5 20 O 0.87413563497658 0.76725391482632 0.85401090586799 15.999 > 5 21 O 0.12586436502342 0.01725391482632 0.64598909413201 15.999 > 6 22 O 0.62586436502342 0.01725391482632 0.64598909413201 15.999 > 6 23 O 0.12586436502342 0.51725391482632 0.64598909413201 15.999 > 6 24 O 0.62586436502342 0.51725391482632 0.64598909413201 15.999 > 6 25 O 0.12586436502342 0.23274608517368 0.14598909413201 15.999 > 7 26 O 0.62586436502342 0.23274608517368 0.14598909413201 15.999 > 7 27 O 0.12586436502342 0.73274608517368 0.14598909413201 15.999 > 7 28 O 0.62586436502342 0.73274608517368 0.14598909413201 15.999 > 7 29 O 0.37413563497658 0.48274608517368 0.35401090586799 15.999 > 8 30 O 0.87413563497658 0.48274608517368 0.35401090586799 15.999 > 8 31 O 0.37413563497658 0.98274608517368 0.35401090586799 15.999 > 8 32 O 0.87413563497658 0.98274608517368 0.35401090586799 15.999 > 8 *33 O 0.27700654019576 0.18039537939045 0.28782014970232 15.999 > 9 34 O 0.77700654019576 0.18039537939045 0.28782014970232 15.999 > 9 35 O 0.27700654019576 0.68039537939045 0.28782014970232 15.999 > 9 36 O 0.77700654019576 0.68039537939045 0.28782014970232 15.999 > 9 37 O 0.22299345980424 0.43039537939045 0.21217985029768 15.999 > 10 38 O 0.72299345980424 0.43039537939045 0.21217985029768 15.999 > 10 39 O 0.22299345980424 0.93039537939045 0.21217985029768 15.999 > 10 40 O 0.72299345980424 0.93039537939045 0.21217985029768 15.999 > 10 41 O 0.22299345980424 0.31960462060955 0.71217985029769 15.999 > 11 42 O 0.72299345980424 0.31960462060955 0.71217985029769 15.999 > 11 43 O 0.22299345980424 0.81960462060955 0.71217985029769 15.999 > 11 44 O 0.72299345980424 0.81960462060955 0.71217985029769 15.999 > 11 45 O 0.27700654019576 0.06960462060955 0.78782014970231 15.999 > 12 46 O 0.77700654019576 0.06960462060955 0.78782014970231 15.999 > 12 47 O 0.27700654019576 0.56960462060955 0.78782014970231 15.999 > 12 48 O 0.77700654019576 0.56960462060955 0.78782014970231 15.999 > 12 *49 O 0.48219635637754 0.11083370286805 0.52565230719728 15.999 > 13 50 O 0.98219635637754 0.11083370286805 0.52565230719728 15.999 > 13 51 O 0.48219635637754 0.61083370286805 0.52565230719728 15.999 > 13 52 O 0.98219635637754 0.61083370286805 0.52565230719728 15.999 > 13 53 O 0.01780364362246 0.36083370286805 0.97434769280272 15.999 > 14 54 O 0.51780364362246 0.36083370286805 0.97434769280272 15.999 > 14 55 O 0.01780364362246 0.86083370286805 0.97434769280272 15.999 > 14 56 O 0.51780364362246 0.86083370286805 0.97434769280272 15.999 > 14 57 O 0.01780364362246 0.38916629713195 0.47434769280272 15.999 > 15 58 O 0.51780364362246 0.38916629713195 0.47434769280272 15.999 > 15 59 O 0.01780364362246 0.88916629713195 0.47434769280272 15.999 > 15 60 O 0.51780364362246 0.88916629713195 0.47434769280272 15.999 > 15 61 O 0.48219635637754 0.13916629713195 0.02565230719728 15.999 > 16 62 O 0.98219635637754 0.13916629713195 0.02565230719728 15.999 > 16 63 O 0.48219635637754 0.63916629713195 0.02565230719728 15.999 > 16 64 O 0.98219635637754 0.63916629713195 0.02565230719728 15.999 > 16 *65 O 0.26761867447096 0.13880453473427 0.02549591909621 15.999 > 17 66 O 0.76761867447096 0.13880453473427 0.02549591909621 15.999 > 17 67 O 0.26761867447096 0.63880453473427 0.02549591909621 15.999 > 17 68 O 0.76761867447096 0.63880453473427 0.02549591909621 15.999 > 17 69 O 0.23238132552904 0.38880453473427 0.47450408090379 15.999 > 18 70 O 0.73238132552904 0.38880453473427 0.47450408090379 15.999 > 18 71 O 0.23238132552904 0.88880453473427 0.47450408090379 15.999 > 18 72 O 0.73238132552904 0.88880453473427 0.47450408090379 15.999 > 18 73 O 0.23238132552904 0.36119546526573 0.97450408090379 15.999 > 19 74 O 0.73238132552904 0.36119546526573 0.97450408090379 15.999 > 19 75 O 0.23238132552904 0.86119546526573 0.97450408090379 15.999 > 19 76 O 0.73238132552904 0.86119546526573 0.97450408090379 15.999 > 19 77 O 0.26761867447096 0.11119546526573 0.52549591909621 15.999 > 20 78 O 0.76761867447096 0.11119546526573 0.52549591909621 15.999 > 20 79 O 0.26761867447096 0.61119546526573 0.52549591909621 15.999 > 20 80 O 0.76761867447096 0.61119546526573 0.52549591909621 15.999 > 20 *81 O 0.47409546963121 0.18274465914881 0.28856002782840 15.999 > 21 82 O 0.97409546963121 0.18274465914881 0.28856002782840 15.999 > 21 83 O 0.47409546963121 0.68274465914881 0.28856002782840 15.999 > 21 84 O 0.97409546963121 0.68274465914881 0.28856002782840 15.999 > 21 85 O 0.02590453036879 0.43274465914881 0.21143997217160 15.999 > 22 86 O 0.52590453036879 0.43274465914881 0.21143997217160 15.999 > 22 87 O 0.02590453036879 0.93274465914881 0.21143997217160 15.999 > 22 88 O 0.52590453036879 0.93274465914881 0.21143997217160 15.999 > 22 89 O 0.02590453036879 0.31725534085119 0.71143997217160 15.999 > 23 90 O 0.52590453036879 0.31725534085119 0.71143997217160 15.999 > 23 91 O 0.02590453036879 0.81725534085119 0.71143997217160 15.999 > 23 92 O 0.52590453036879 0.81725534085119 0.71143997217160 15.999 > 23 93 O 0.47409546963121 0.06725534085119 0.78856002782840 15.999 > 24 94 O 0.97409546963121 0.06725534085119 0.78856002782840 15.999 > 24 95 O 0.47409546963121 0.56725534085119 0.78856002782840 15.999 > 24 96 O 0.97409546963121 0.56725534085119 0.78856002782840 15.999 > 24 *97 Sr 0.37505121559213 0.26894883952927 0.45957240586675 87.620 > 25 98 Sr 0.87505121559213 0.26894883952927 0.45957240586675 87.620 > 25 99 Sr 0.37505121559213 0.76894883952927 0.45957240586675 87.620 > 25 100 Sr 0.87505121559213 0.76894883952927 0.45957240586675 87.620 > 25 101 Sr 0.12494878440787 0.01894883952927 0.04042759413325 87.620 > 26 102 Sr 0.62494878440787 0.01894883952927 0.04042759413325 87.620 > 26 103 Sr 0.12494878440787 0.51894883952927 0.04042759413325 87.620 > 26 104 Sr 0.62494878440787 0.51894883952927 0.04042759413325 87.620 > 26 105 Sr 0.12494878440787 0.23105116047073 0.54042759413325 87.620 > 27 106 Sr 0.62494878440787 0.23105116047073 0.54042759413325 87.620 > 27 107 Sr 0.12494878440787 0.73105116047073 0.54042759413325 87.620 > 27 108 Sr 0.62494878440787 0.73105116047073 0.54042759413325 87.620 > 27 109 Sr 0.37505121559213 0.48105116047073 0.95957240586675 87.620 > 28 110 Sr 0.87505121559213 0.48105116047073 0.95957240586675 87.620 > 28 111 Sr 0.37505121559213 0.98105116047073 0.95957240586675 87.620 > 28 112 Sr 0.87505121559213 0.98105116047073 0.95957240586675 87.620 > 28 *113 Nb 0.49641211721398 0.23613377043324 0.85650911817381 92.906 > 29 114 Nb 0.99641211721398 0.23613377043324 0.85650911817381 92.906 > 29 115 Nb 0.49641211721398 0.73613377043324 0.85650911817381 92.906 > 29 116 Nb 0.99641211721398 0.73613377043324 0.85650911817381 92.906 > 29 117 Nb 0.00358788278602 0.48613377043324 0.64349088182619 92.906 > 30 118 Nb 0.50358788278602 0.48613377043324 0.64349088182619 92.906 > 30 119 Nb 0.00358788278602 0.98613377043324 0.64349088182619 92.906 > 30 120 Nb 0.50358788278602 0.98613377043324 0.64349088182619 92.906 > 30 121 Nb 0.00358788278602 0.26386622956676 0.14349088182619 92.906 > 31 122 Nb 0.50358788278602 0.26386622956676 0.14349088182619 92.906 > 31 123 Nb 0.00358788278602 0.76386622956676 0.14349088182619 92.906 > 31 124 Nb 0.50358788278602 0.76386622956676 0.14349088182619 92.906 > 31 125 Nb 0.49641211721398 0.01386622956676 0.35650911817381 92.906 > 32 126 Nb 0.99641211721398 0.01386622956676 0.35650911817381 92.906 > 32 127 Nb 0.49641211721398 0.51386622956676 0.35650911817381 92.906 > 32 128 Nb 0.99641211721398 0.51386622956676 0.35650911817381 92.906 > 32 *129 Nb 0.24026335919505 0.23329439048903 0.85750726617078 92.906 > 33 130 Nb 0.74026335919505 0.23329439048903 0.85750726617078 92.906 > 33 131 Nb 0.24026335919505 0.73329439048903 0.85750726617078 92.906 > 33 132 Nb 0.74026335919505 0.73329439048903 0.85750726617078 92.906 > 33 133 Nb 0.25973664080495 0.48329439048903 0.64249273382922 92.906 > 34 134 Nb 0.75973664080495 0.48329439048903 0.64249273382922 92.906 > 34 135 Nb 0.25973664080495 0.98329439048903 0.64249273382922 92.906 > 34 136 Nb 0.75973664080495 0.98329439048903 0.64249273382922 92.906 > 34 137 Nb 0.25973664080495 0.26670560951097 0.14249273382922 92.906 > 35 138 Nb 0.75973664080495 0.26670560951097 0.14249273382922 92.906 > 35 139 Nb 0.25973664080495 0.76670560951097 0.14249273382922 92.906 > 35 140 Nb 0.75973664080495 0.76670560951097 0.14249273382922 92.906 > 35 141 Nb 0.24026335919505 0.01670560951097 0.35750726617078 92.906 > 36 142 Nb 0.74026335919505 0.01670560951097 0.35750726617078 92.906 > 36 143 Nb 0.24026335919505 0.51670560951097 0.35750726617078 92.906 > 36 144 Nb 0.74026335919505 0.51670560951097 0.35750726617078 92.906 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0560181 0.0000000 -0.0659172 0.0000000 4.7789619 0.0000000 -0.0659491 0.0000000 5.6063702 -------------------------- Born effective charges -------------------------- 1 O -6.0616834 -0.3524276 0.1032028 -0.2856578 -1.4800477 0.2451990 0.0967565 0.1492193 -1.4410425 2 O -6.0616834 0.3524276 0.1032028 0.2856578 -1.4800477 -0.2451990 0.0967565 -0.1492193 -1.4410425 3 O -6.0616834 -0.3524276 0.1032028 -0.2856578 -1.4800477 0.2451990 0.0967565 0.1492193 -1.4410425 4 O -6.0616834 0.3524276 0.1032028 0.2856578 -1.4800477 -0.2451990 0.0967565 -0.1492193 -1.4410425 5 O -6.5205427 0.1492023 0.0545330 -0.1163790 -1.3250407 -0.0667043 0.0565893 -0.2743999 -1.2171989 6 O -6.5205427 -0.1492023 0.0545330 0.1163790 -1.3250407 0.0667043 0.0565893 0.2743999 -1.2171989 7 O -6.5205427 0.1492023 0.0545330 -0.1163790 -1.3250407 -0.0667043 0.0565893 -0.2743999 -1.2171989 8 O -6.5205427 -0.1492023 0.0545330 0.1163790 -1.3250407 0.0667043 0.0565893 0.2743999 -1.2171989 9 O -1.4601013 -0.2842684 -0.1190562 -0.3080315 -3.3313325 2.0355310 -0.0421816 2.2546657 -3.6560699 10 O -1.4601013 0.2842684 -0.1190562 0.3080315 -3.3313325 -2.0355310 -0.0421816 -2.2546657 -3.6560699 11 O -1.4601013 -0.2842684 -0.1190562 -0.3080315 -3.3313325 2.0355310 -0.0421816 2.2546657 -3.6560699 12 O -1.4601013 0.2842684 -0.1190562 0.3080315 -3.3313325 -2.0355310 -0.0421816 -2.2546657 -3.6560699 13 O -1.6721634 0.1553708 -0.2282678 0.2495224 -2.2610355 0.3007593 -0.2651340 0.8748851 -3.8049483 14 O -1.6721634 -0.1553708 -0.2282678 -0.2495224 -2.2610355 -0.3007593 -0.2651340 -0.8748851 -3.8049483 15 O -1.6721634 0.1553708 -0.2282678 0.2495224 -2.2610355 0.3007593 -0.2651340 0.8748851 -3.8049483 16 O -1.6721634 -0.1553708 -0.2282678 -0.2495224 -2.2610355 -0.3007593 -0.2651340 -0.8748851 -3.8049483 17 O -1.7033006 0.0139810 0.0429811 0.1454351 -2.2922648 -0.3835025 -0.0562911 -0.9302968 -3.7563118 18 O -1.7033006 -0.0139810 0.0429811 -0.1454351 -2.2922648 0.3835025 -0.0562911 0.9302968 -3.7563118 19 O -1.7033006 0.0139810 0.0429811 0.1454351 -2.2922648 -0.3835025 -0.0562911 -0.9302968 -3.7563118 20 O -1.7033006 -0.0139810 0.0429811 -0.1454351 -2.2922648 0.3835025 -0.0562911 0.9302968 -3.7563118 21 O -1.4721907 0.0208830 0.4488705 -0.0070870 -3.3855571 1.9547518 0.4975481 2.2181916 -3.6330435 22 O -1.4721907 -0.0208830 0.4488705 0.0070870 -3.3855571 -1.9547518 0.4975481 -2.2181916 -3.6330435 23 O -1.4721907 0.0208830 0.4488705 -0.0070870 -3.3855571 1.9547518 0.4975481 2.2181916 -3.6330435 24 O -1.4721907 -0.0208830 0.4488705 0.0070870 -3.3855571 -1.9547518 0.4975481 -2.2181916 -3.6330435 25 Sr 2.4837716 -0.0670697 -0.1385432 -0.0113609 3.2863964 0.2407767 0.0015671 0.1127139 2.4454054 26 Sr 2.4837716 0.0670697 -0.1385432 0.0113609 3.2863964 -0.2407767 0.0015671 -0.1127139 2.4454054 27 Sr 2.4837716 -0.0670697 -0.1385432 -0.0113609 3.2863964 0.2407767 0.0015671 0.1127139 2.4454054 28 Sr 2.4837716 0.0670697 -0.1385432 0.0113609 3.2863964 -0.2407767 0.0015671 -0.1127139 2.4454054 29 Nb 8.2463060 -1.3138204 0.0693221 0.6975961 5.3191002 -0.3708227 -0.1403508 1.2440485 7.5445641 30 Nb 8.2463060 1.3138204 0.0693221 -0.6975961 5.3191002 0.3708227 -0.1403508 -1.2440485 7.5445641 31 Nb 8.2463060 -1.3138204 0.0693221 0.6975961 5.3191002 -0.3708227 -0.1403508 1.2440485 7.5445641 32 Nb 8.2463060 1.3138204 0.0693221 -0.6975961 5.3191002 0.3708227 -0.1403508 -1.2440485 7.5445641 33 Nb 8.1599046 1.5687718 -0.2330422 -0.1570772 5.4697818 -0.3255727 -0.1485036 1.0608092 7.5186454 34 Nb 8.1599046 -1.5687718 -0.2330422 0.1570772 5.4697818 0.3255727 -0.1485036 -1.0608092 7.5186454 35 Nb 8.1599046 1.5687718 -0.2330422 -0.1570772 5.4697818 -0.3255727 -0.1485036 1.0608092 7.5186454 36 Nb 8.1599046 -1.5687718 -0.2330422 0.1570772 5.4697818 0.3255727 -0.1485036 -1.0608092 7.5186454 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.993 Solver_block: 200 / 1120 - Time: 1.783 Solver_block: 300 / 1120 - Time: 1.784 Solver_block: 400 / 1120 - Time: 1.790 Solver_block: 500 / 1120 - Time: 1.792 Solver_block: 600 / 1120 - Time: 1.790 Solver_block: 700 / 1120 - Time: 1.791 Solver_block: 800 / 1120 - Time: 1.788 Solver_block: 900 / 1120 - Time: 1.791 Solver_block: 1000 / 1120 - Time: 1.789 Solver_block: 1100 / 1120 - Time: 1.786 Solver_block: 1120 / 1120 - Time: 0.522 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.911 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:20:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:20:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.696479570729531 0.000000000000000 0.000000000000000 b 0.000000000000000 5.593629400000001 0.000000000000000 c -0.045073321821736 0.000000000000000 11.123703151652402 Atomic positions (fractional): 1 O 0.24786185257407 0.35177525718154 0.87244321469961 15.999 2 O 0.75213814742593 0.85177525718154 0.62755678530039 15.999 3 O 0.75213814742593 0.64822474281846 0.12755678530039 15.999 4 O 0.24786185257407 0.14822474281846 0.37244321469961 15.999 5 O 0.74827126995315 0.53450782965264 0.85401090586799 15.999 6 O 0.25172873004685 0.03450782965264 0.64598909413201 15.999 7 O 0.25172873004685 0.46549217034736 0.14598909413201 15.999 8 O 0.74827126995315 0.96549217034736 0.35401090586799 15.999 9 O 0.55401308039151 0.36079075878090 0.28782014970232 15.999 10 O 0.44598691960849 0.86079075878090 0.21217985029768 15.999 11 O 0.44598691960849 0.63920924121910 0.71217985029769 15.999 12 O 0.55401308039151 0.13920924121910 0.78782014970231 15.999 13 O 0.96439271275508 0.22166740573610 0.52565230719728 15.999 14 O 0.03560728724492 0.72166740573610 0.97434769280272 15.999 15 O 0.03560728724492 0.77833259426390 0.47434769280272 15.999 16 O 0.96439271275508 0.27833259426390 0.02565230719728 15.999 17 O 0.53523734894192 0.27760906946853 0.02549591909621 15.999 18 O 0.46476265105808 0.77760906946853 0.47450408090379 15.999 19 O 0.46476265105808 0.72239093053147 0.97450408090379 15.999 20 O 0.53523734894192 0.22239093053147 0.52549591909621 15.999 21 O 0.94819093926242 0.36548931829763 0.28856002782840 15.999 22 O 0.05180906073758 0.86548931829763 0.21143997217160 15.999 23 O 0.05180906073758 0.63451068170237 0.71143997217160 15.999 24 O 0.94819093926242 0.13451068170237 0.78856002782840 15.999 25 Sr 0.75010243118426 0.53789767905854 0.45957240586675 87.620 26 Sr 0.24989756881574 0.03789767905854 0.04042759413325 87.620 27 Sr 0.24989756881574 0.46210232094146 0.54042759413325 87.620 28 Sr 0.75010243118426 0.96210232094146 0.95957240586675 87.620 29 Nb 0.99282423442795 0.47226754086649 0.85650911817381 92.906 30 Nb 0.00717576557205 0.97226754086649 0.64349088182619 92.906 31 Nb 0.00717576557205 0.52773245913351 0.14349088182619 92.906 32 Nb 0.99282423442795 0.02773245913351 0.35650911817381 92.906 33 Nb 0.48052671839010 0.46658878097806 0.85750726617078 92.906 34 Nb 0.51947328160990 0.96658878097806 0.64249273382922 92.906 35 Nb 0.51947328160990 0.53341121902194 0.14249273382922 92.906 36 Nb 0.48052671839010 0.03341121902195 0.35750726617078 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.392959141459063 0.000000000000000 0.000000000000000 b 0.000000000000000 11.187258800000002 0.000000000000000 c -0.045073321821736 0.000000000000000 11.123703151652402 Atomic positions (fractional): 1 O 0.12393092628704 0.17588762859077 0.87244321469961 15.999 > 1 2 O 0.62393092628704 0.17588762859077 0.87244321469961 15.999 > 1 3 O 0.12393092628704 0.67588762859077 0.87244321469961 15.999 > 1 4 O 0.62393092628704 0.67588762859077 0.87244321469961 15.999 > 1 5 O 0.37606907371296 0.42588762859077 0.62755678530039 15.999 > 5 6 O 0.87606907371296 0.42588762859077 0.62755678530039 15.999 > 5 7 O 0.37606907371296 0.92588762859077 0.62755678530039 15.999 > 5 8 O 0.87606907371296 0.92588762859077 0.62755678530039 15.999 > 5 9 O 0.37606907371296 0.32411237140923 0.12755678530039 15.999 > 9 10 O 0.87606907371296 0.32411237140923 0.12755678530039 15.999 > 9 11 O 0.37606907371296 0.82411237140923 0.12755678530039 15.999 > 9 12 O 0.87606907371296 0.82411237140923 0.12755678530039 15.999 > 9 13 O 0.12393092628704 0.07411237140923 0.37244321469961 15.999 > 13 14 O 0.62393092628704 0.07411237140923 0.37244321469961 15.999 > 13 15 O 0.12393092628704 0.57411237140923 0.37244321469961 15.999 > 13 16 O 0.62393092628704 0.57411237140923 0.37244321469961 15.999 > 13 17 O 0.37413563497658 0.26725391482632 0.85401090586799 15.999 > 17 18 O 0.87413563497658 0.26725391482632 0.85401090586799 15.999 > 17 19 O 0.37413563497658 0.76725391482632 0.85401090586799 15.999 > 17 20 O 0.87413563497658 0.76725391482632 0.85401090586799 15.999 > 17 21 O 0.12586436502342 0.01725391482632 0.64598909413201 15.999 > 21 22 O 0.62586436502342 0.01725391482632 0.64598909413201 15.999 > 21 23 O 0.12586436502342 0.51725391482632 0.64598909413201 15.999 > 21 24 O 0.62586436502342 0.51725391482632 0.64598909413201 15.999 > 21 25 O 0.12586436502342 0.23274608517368 0.14598909413201 15.999 > 25 26 O 0.62586436502342 0.23274608517368 0.14598909413201 15.999 > 25 27 O 0.12586436502342 0.73274608517368 0.14598909413201 15.999 > 25 28 O 0.62586436502342 0.73274608517368 0.14598909413201 15.999 > 25 29 O 0.37413563497658 0.48274608517368 0.35401090586799 15.999 > 29 30 O 0.87413563497658 0.48274608517368 0.35401090586799 15.999 > 29 31 O 0.37413563497658 0.98274608517368 0.35401090586799 15.999 > 29 32 O 0.87413563497658 0.98274608517368 0.35401090586799 15.999 > 29 33 O 0.27700654019576 0.18039537939045 0.28782014970232 15.999 > 33 34 O 0.77700654019576 0.18039537939045 0.28782014970232 15.999 > 33 35 O 0.27700654019576 0.68039537939045 0.28782014970232 15.999 > 33 36 O 0.77700654019576 0.68039537939045 0.28782014970232 15.999 > 33 37 O 0.22299345980424 0.43039537939045 0.21217985029768 15.999 > 37 38 O 0.72299345980424 0.43039537939045 0.21217985029768 15.999 > 37 39 O 0.22299345980424 0.93039537939045 0.21217985029768 15.999 > 37 40 O 0.72299345980424 0.93039537939045 0.21217985029768 15.999 > 37 41 O 0.22299345980424 0.31960462060955 0.71217985029769 15.999 > 41 42 O 0.72299345980424 0.31960462060955 0.71217985029769 15.999 > 41 43 O 0.22299345980424 0.81960462060955 0.71217985029769 15.999 > 41 44 O 0.72299345980424 0.81960462060955 0.71217985029769 15.999 > 41 45 O 0.27700654019576 0.06960462060955 0.78782014970231 15.999 > 45 46 O 0.77700654019576 0.06960462060955 0.78782014970231 15.999 > 45 47 O 0.27700654019576 0.56960462060955 0.78782014970231 15.999 > 45 48 O 0.77700654019576 0.56960462060955 0.78782014970231 15.999 > 45 49 O 0.48219635637754 0.11083370286805 0.52565230719728 15.999 > 49 50 O 0.98219635637754 0.11083370286805 0.52565230719728 15.999 > 49 51 O 0.48219635637754 0.61083370286805 0.52565230719728 15.999 > 49 52 O 0.98219635637754 0.61083370286805 0.52565230719728 15.999 > 49 53 O 0.01780364362246 0.36083370286805 0.97434769280272 15.999 > 53 54 O 0.51780364362246 0.36083370286805 0.97434769280272 15.999 > 53 55 O 0.01780364362246 0.86083370286805 0.97434769280272 15.999 > 53 56 O 0.51780364362246 0.86083370286805 0.97434769280272 15.999 > 53 57 O 0.01780364362246 0.38916629713195 0.47434769280272 15.999 > 57 58 O 0.51780364362246 0.38916629713195 0.47434769280272 15.999 > 57 59 O 0.01780364362246 0.88916629713195 0.47434769280272 15.999 > 57 60 O 0.51780364362246 0.88916629713195 0.47434769280272 15.999 > 57 61 O 0.48219635637754 0.13916629713195 0.02565230719728 15.999 > 61 62 O 0.98219635637754 0.13916629713195 0.02565230719728 15.999 > 61 63 O 0.48219635637754 0.63916629713195 0.02565230719728 15.999 > 61 64 O 0.98219635637754 0.63916629713195 0.02565230719728 15.999 > 61 65 O 0.26761867447096 0.13880453473427 0.02549591909621 15.999 > 65 66 O 0.76761867447096 0.13880453473427 0.02549591909621 15.999 > 65 67 O 0.26761867447096 0.63880453473427 0.02549591909621 15.999 > 65 68 O 0.76761867447096 0.63880453473427 0.02549591909621 15.999 > 65 69 O 0.23238132552904 0.38880453473427 0.47450408090379 15.999 > 69 70 O 0.73238132552904 0.38880453473427 0.47450408090379 15.999 > 69 71 O 0.23238132552904 0.88880453473427 0.47450408090379 15.999 > 69 72 O 0.73238132552904 0.88880453473427 0.47450408090379 15.999 > 69 73 O 0.23238132552904 0.36119546526573 0.97450408090379 15.999 > 73 74 O 0.73238132552904 0.36119546526573 0.97450408090379 15.999 > 73 75 O 0.23238132552904 0.86119546526573 0.97450408090379 15.999 > 73 76 O 0.73238132552904 0.86119546526573 0.97450408090379 15.999 > 73 77 O 0.26761867447096 0.11119546526573 0.52549591909621 15.999 > 77 78 O 0.76761867447096 0.11119546526573 0.52549591909621 15.999 > 77 79 O 0.26761867447096 0.61119546526573 0.52549591909621 15.999 > 77 80 O 0.76761867447096 0.61119546526573 0.52549591909621 15.999 > 77 81 O 0.47409546963121 0.18274465914881 0.28856002782840 15.999 > 81 82 O 0.97409546963121 0.18274465914881 0.28856002782840 15.999 > 81 83 O 0.47409546963121 0.68274465914881 0.28856002782840 15.999 > 81 84 O 0.97409546963121 0.68274465914881 0.28856002782840 15.999 > 81 85 O 0.02590453036879 0.43274465914881 0.21143997217160 15.999 > 85 86 O 0.52590453036879 0.43274465914881 0.21143997217160 15.999 > 85 87 O 0.02590453036879 0.93274465914881 0.21143997217160 15.999 > 85 88 O 0.52590453036879 0.93274465914881 0.21143997217160 15.999 > 85 89 O 0.02590453036879 0.31725534085119 0.71143997217160 15.999 > 89 90 O 0.52590453036879 0.31725534085119 0.71143997217160 15.999 > 89 91 O 0.02590453036879 0.81725534085119 0.71143997217160 15.999 > 89 92 O 0.52590453036879 0.81725534085119 0.71143997217160 15.999 > 89 93 O 0.47409546963121 0.06725534085119 0.78856002782840 15.999 > 93 94 O 0.97409546963121 0.06725534085119 0.78856002782840 15.999 > 93 95 O 0.47409546963121 0.56725534085119 0.78856002782840 15.999 > 93 96 O 0.97409546963121 0.56725534085119 0.78856002782840 15.999 > 93 97 Sr 0.37505121559213 0.26894883952927 0.45957240586675 87.620 > 97 98 Sr 0.87505121559213 0.26894883952927 0.45957240586675 87.620 > 97 99 Sr 0.37505121559213 0.76894883952927 0.45957240586675 87.620 > 97 100 Sr 0.87505121559213 0.76894883952927 0.45957240586675 87.620 > 97 101 Sr 0.12494878440787 0.01894883952927 0.04042759413325 87.620 > 101 102 Sr 0.62494878440787 0.01894883952927 0.04042759413325 87.620 > 101 103 Sr 0.12494878440787 0.51894883952927 0.04042759413325 87.620 > 101 104 Sr 0.62494878440787 0.51894883952927 0.04042759413325 87.620 > 101 105 Sr 0.12494878440787 0.23105116047073 0.54042759413325 87.620 > 105 106 Sr 0.62494878440787 0.23105116047073 0.54042759413325 87.620 > 105 107 Sr 0.12494878440787 0.73105116047073 0.54042759413325 87.620 > 105 108 Sr 0.62494878440787 0.73105116047073 0.54042759413325 87.620 > 105 109 Sr 0.37505121559213 0.48105116047073 0.95957240586675 87.620 > 109 110 Sr 0.87505121559213 0.48105116047073 0.95957240586675 87.620 > 109 111 Sr 0.37505121559213 0.98105116047073 0.95957240586675 87.620 > 109 112 Sr 0.87505121559213 0.98105116047073 0.95957240586675 87.620 > 109 113 Nb 0.49641211721398 0.23613377043324 0.85650911817381 92.906 > 113 114 Nb 0.99641211721398 0.23613377043324 0.85650911817381 92.906 > 113 115 Nb 0.49641211721398 0.73613377043324 0.85650911817381 92.906 > 113 116 Nb 0.99641211721398 0.73613377043324 0.85650911817381 92.906 > 113 117 Nb 0.00358788278602 0.48613377043324 0.64349088182619 92.906 > 117 118 Nb 0.50358788278602 0.48613377043324 0.64349088182619 92.906 > 117 119 Nb 0.00358788278602 0.98613377043324 0.64349088182619 92.906 > 117 120 Nb 0.50358788278602 0.98613377043324 0.64349088182619 92.906 > 117 121 Nb 0.00358788278602 0.26386622956676 0.14349088182619 92.906 > 121 122 Nb 0.50358788278602 0.26386622956676 0.14349088182619 92.906 > 121 123 Nb 0.00358788278602 0.76386622956676 0.14349088182619 92.906 > 121 124 Nb 0.50358788278602 0.76386622956676 0.14349088182619 92.906 > 121 125 Nb 0.49641211721398 0.01386622956676 0.35650911817381 92.906 > 125 126 Nb 0.99641211721398 0.01386622956676 0.35650911817381 92.906 > 125 127 Nb 0.49641211721398 0.51386622956676 0.35650911817381 92.906 > 125 128 Nb 0.99641211721398 0.51386622956676 0.35650911817381 92.906 > 125 129 Nb 0.24026335919505 0.23329439048903 0.85750726617078 92.906 > 129 130 Nb 0.74026335919505 0.23329439048903 0.85750726617078 92.906 > 129 131 Nb 0.24026335919505 0.73329439048903 0.85750726617078 92.906 > 129 132 Nb 0.74026335919505 0.73329439048903 0.85750726617078 92.906 > 129 133 Nb 0.25973664080495 0.48329439048903 0.64249273382922 92.906 > 133 134 Nb 0.75973664080495 0.48329439048903 0.64249273382922 92.906 > 133 135 Nb 0.25973664080495 0.98329439048903 0.64249273382922 92.906 > 133 136 Nb 0.75973664080495 0.98329439048903 0.64249273382922 92.906 > 133 137 Nb 0.25973664080495 0.26670560951097 0.14249273382922 92.906 > 137 138 Nb 0.75973664080495 0.26670560951097 0.14249273382922 92.906 > 137 139 Nb 0.25973664080495 0.76670560951097 0.14249273382922 92.906 > 137 140 Nb 0.75973664080495 0.76670560951097 0.14249273382922 92.906 > 137 141 Nb 0.24026335919505 0.01670560951097 0.35750726617078 92.906 > 141 142 Nb 0.74026335919505 0.01670560951097 0.35750726617078 92.906 > 141 143 Nb 0.24026335919505 0.51670560951097 0.35750726617078 92.906 > 141 144 Nb 0.74026335919505 0.51670560951097 0.35750726617078 92.906 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0560181 0.0000000 -0.0659172 0.0000000 4.7789619 0.0000000 -0.0659491 0.0000000 5.6063702 -------------------------- Born effective charges -------------------------- 1 O -6.0616834 -0.3524276 0.1032028 -0.2856578 -1.4800477 0.2451990 0.0967565 0.1492193 -1.4410425 2 O -6.0616834 0.3524276 0.1032028 0.2856578 -1.4800477 -0.2451990 0.0967565 -0.1492193 -1.4410425 3 O -6.0616834 -0.3524276 0.1032028 -0.2856578 -1.4800477 0.2451990 0.0967565 0.1492193 -1.4410425 4 O -6.0616834 0.3524276 0.1032028 0.2856578 -1.4800477 -0.2451990 0.0967565 -0.1492193 -1.4410425 5 O -6.5205427 0.1492023 0.0545330 -0.1163790 -1.3250407 -0.0667043 0.0565893 -0.2743999 -1.2171989 6 O -6.5205427 -0.1492023 0.0545330 0.1163790 -1.3250407 0.0667043 0.0565893 0.2743999 -1.2171989 7 O -6.5205427 0.1492023 0.0545330 -0.1163790 -1.3250407 -0.0667043 0.0565893 -0.2743999 -1.2171989 8 O -6.5205427 -0.1492023 0.0545330 0.1163790 -1.3250407 0.0667043 0.0565893 0.2743999 -1.2171989 9 O -1.4601013 -0.2842684 -0.1190562 -0.3080315 -3.3313325 2.0355310 -0.0421816 2.2546657 -3.6560699 10 O -1.4601013 0.2842684 -0.1190562 0.3080315 -3.3313325 -2.0355310 -0.0421816 -2.2546657 -3.6560699 11 O -1.4601013 -0.2842684 -0.1190562 -0.3080315 -3.3313325 2.0355310 -0.0421816 2.2546657 -3.6560699 12 O -1.4601013 0.2842684 -0.1190562 0.3080315 -3.3313325 -2.0355310 -0.0421816 -2.2546657 -3.6560699 13 O -1.6721634 0.1553708 -0.2282678 0.2495224 -2.2610355 0.3007593 -0.2651340 0.8748851 -3.8049483 14 O -1.6721634 -0.1553708 -0.2282678 -0.2495224 -2.2610355 -0.3007593 -0.2651340 -0.8748851 -3.8049483 15 O -1.6721634 0.1553708 -0.2282678 0.2495224 -2.2610355 0.3007593 -0.2651340 0.8748851 -3.8049483 16 O -1.6721634 -0.1553708 -0.2282678 -0.2495224 -2.2610355 -0.3007593 -0.2651340 -0.8748851 -3.8049483 17 O -1.7033006 0.0139810 0.0429811 0.1454351 -2.2922648 -0.3835025 -0.0562911 -0.9302968 -3.7563118 18 O -1.7033006 -0.0139810 0.0429811 -0.1454351 -2.2922648 0.3835025 -0.0562911 0.9302968 -3.7563118 19 O -1.7033006 0.0139810 0.0429811 0.1454351 -2.2922648 -0.3835025 -0.0562911 -0.9302968 -3.7563118 20 O -1.7033006 -0.0139810 0.0429811 -0.1454351 -2.2922648 0.3835025 -0.0562911 0.9302968 -3.7563118 21 O -1.4721907 0.0208830 0.4488705 -0.0070870 -3.3855571 1.9547518 0.4975481 2.2181916 -3.6330435 22 O -1.4721907 -0.0208830 0.4488705 0.0070870 -3.3855571 -1.9547518 0.4975481 -2.2181916 -3.6330435 23 O -1.4721907 0.0208830 0.4488705 -0.0070870 -3.3855571 1.9547518 0.4975481 2.2181916 -3.6330435 24 O -1.4721907 -0.0208830 0.4488705 0.0070870 -3.3855571 -1.9547518 0.4975481 -2.2181916 -3.6330435 25 Sr 2.4837716 -0.0670697 -0.1385432 -0.0113609 3.2863964 0.2407767 0.0015671 0.1127139 2.4454054 26 Sr 2.4837716 0.0670697 -0.1385432 0.0113609 3.2863964 -0.2407767 0.0015671 -0.1127139 2.4454054 27 Sr 2.4837716 -0.0670697 -0.1385432 -0.0113609 3.2863964 0.2407767 0.0015671 0.1127139 2.4454054 28 Sr 2.4837716 0.0670697 -0.1385432 0.0113609 3.2863964 -0.2407767 0.0015671 -0.1127139 2.4454054 29 Nb 8.2463060 -1.3138204 0.0693221 0.6975961 5.3191002 -0.3708227 -0.1403508 1.2440485 7.5445641 30 Nb 8.2463060 1.3138204 0.0693221 -0.6975961 5.3191002 0.3708227 -0.1403508 -1.2440485 7.5445641 31 Nb 8.2463060 -1.3138204 0.0693221 0.6975961 5.3191002 -0.3708227 -0.1403508 1.2440485 7.5445641 32 Nb 8.2463060 1.3138204 0.0693221 -0.6975961 5.3191002 0.3708227 -0.1403508 -1.2440485 7.5445641 33 Nb 8.1599046 1.5687718 -0.2330422 -0.1570772 5.4697818 -0.3255727 -0.1485036 1.0608092 7.5186454 34 Nb 8.1599046 -1.5687718 -0.2330422 0.1570772 5.4697818 0.3255727 -0.1485036 -1.0608092 7.5186454 35 Nb 8.1599046 1.5687718 -0.2330422 -0.1570772 5.4697818 -0.3255727 -0.1485036 1.0608092 7.5186454 36 Nb 8.1599046 -1.5687718 -0.2330422 0.1570772 5.4697818 0.3255727 -0.1485036 -1.0608092 7.5186454 ---------------------------------------------------------------------------- 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] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, 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] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (yz) 0.00000004 (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 2026-01-07 20:21:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:21:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.696479570729531 0.000000000000000 0.000000000000000 b 0.000000000000000 5.593629400000001 0.000000000000000 c -0.045073321821736 0.000000000000000 11.123703151652402 Atomic positions (fractional): 1 O 0.24786185257407 0.35177525718154 0.87244321469961 15.999 2 O 0.75213814742593 0.85177525718154 0.62755678530039 15.999 3 O 0.75213814742593 0.64822474281846 0.12755678530039 15.999 4 O 0.24786185257407 0.14822474281846 0.37244321469961 15.999 5 O 0.74827126995315 0.53450782965264 0.85401090586799 15.999 6 O 0.25172873004685 0.03450782965264 0.64598909413201 15.999 7 O 0.25172873004685 0.46549217034736 0.14598909413201 15.999 8 O 0.74827126995315 0.96549217034736 0.35401090586799 15.999 9 O 0.55401308039151 0.36079075878090 0.28782014970232 15.999 10 O 0.44598691960849 0.86079075878090 0.21217985029768 15.999 11 O 0.44598691960849 0.63920924121910 0.71217985029769 15.999 12 O 0.55401308039151 0.13920924121910 0.78782014970231 15.999 13 O 0.96439271275508 0.22166740573610 0.52565230719728 15.999 14 O 0.03560728724492 0.72166740573610 0.97434769280272 15.999 15 O 0.03560728724492 0.77833259426390 0.47434769280272 15.999 16 O 0.96439271275508 0.27833259426390 0.02565230719728 15.999 17 O 0.53523734894192 0.27760906946853 0.02549591909621 15.999 18 O 0.46476265105808 0.77760906946853 0.47450408090379 15.999 19 O 0.46476265105808 0.72239093053147 0.97450408090379 15.999 20 O 0.53523734894192 0.22239093053147 0.52549591909621 15.999 21 O 0.94819093926242 0.36548931829763 0.28856002782840 15.999 22 O 0.05180906073758 0.86548931829763 0.21143997217160 15.999 23 O 0.05180906073758 0.63451068170237 0.71143997217160 15.999 24 O 0.94819093926242 0.13451068170237 0.78856002782840 15.999 25 Sr 0.75010243118426 0.53789767905854 0.45957240586675 87.620 26 Sr 0.24989756881574 0.03789767905854 0.04042759413325 87.620 27 Sr 0.24989756881574 0.46210232094146 0.54042759413325 87.620 28 Sr 0.75010243118426 0.96210232094146 0.95957240586675 87.620 29 Nb 0.99282423442795 0.47226754086649 0.85650911817381 92.906 30 Nb 0.00717576557205 0.97226754086649 0.64349088182619 92.906 31 Nb 0.00717576557205 0.52773245913351 0.14349088182619 92.906 32 Nb 0.99282423442795 0.02773245913351 0.35650911817381 92.906 33 Nb 0.48052671839010 0.46658878097806 0.85750726617078 92.906 34 Nb 0.51947328160990 0.96658878097806 0.64249273382922 92.906 35 Nb 0.51947328160990 0.53341121902194 0.14249273382922 92.906 36 Nb 0.48052671839010 0.03341121902195 0.35750726617078 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.392959141459063 0.000000000000000 0.000000000000000 b 0.000000000000000 11.187258800000002 0.000000000000000 c -0.045073321821736 0.000000000000000 11.123703151652402 Atomic positions (fractional): 1 O 0.12393092628704 0.17588762859077 0.87244321469961 15.999 > 1 2 O 0.62393092628704 0.17588762859077 0.87244321469961 15.999 > 1 3 O 0.12393092628704 0.67588762859077 0.87244321469961 15.999 > 1 4 O 0.62393092628704 0.67588762859077 0.87244321469961 15.999 > 1 5 O 0.37606907371296 0.42588762859077 0.62755678530039 15.999 > 5 6 O 0.87606907371296 0.42588762859077 0.62755678530039 15.999 > 5 7 O 0.37606907371296 0.92588762859077 0.62755678530039 15.999 > 5 8 O 0.87606907371296 0.92588762859077 0.62755678530039 15.999 > 5 9 O 0.37606907371296 0.32411237140923 0.12755678530039 15.999 > 9 10 O 0.87606907371296 0.32411237140923 0.12755678530039 15.999 > 9 11 O 0.37606907371296 0.82411237140923 0.12755678530039 15.999 > 9 12 O 0.87606907371296 0.82411237140923 0.12755678530039 15.999 > 9 13 O 0.12393092628704 0.07411237140923 0.37244321469961 15.999 > 13 14 O 0.62393092628704 0.07411237140923 0.37244321469961 15.999 > 13 15 O 0.12393092628704 0.57411237140923 0.37244321469961 15.999 > 13 16 O 0.62393092628704 0.57411237140923 0.37244321469961 15.999 > 13 17 O 0.37413563497658 0.26725391482632 0.85401090586799 15.999 > 17 18 O 0.87413563497658 0.26725391482632 0.85401090586799 15.999 > 17 19 O 0.37413563497658 0.76725391482632 0.85401090586799 15.999 > 17 20 O 0.87413563497658 0.76725391482632 0.85401090586799 15.999 > 17 21 O 0.12586436502342 0.01725391482632 0.64598909413201 15.999 > 21 22 O 0.62586436502342 0.01725391482632 0.64598909413201 15.999 > 21 23 O 0.12586436502342 0.51725391482632 0.64598909413201 15.999 > 21 24 O 0.62586436502342 0.51725391482632 0.64598909413201 15.999 > 21 25 O 0.12586436502342 0.23274608517368 0.14598909413201 15.999 > 25 26 O 0.62586436502342 0.23274608517368 0.14598909413201 15.999 > 25 27 O 0.12586436502342 0.73274608517368 0.14598909413201 15.999 > 25 28 O 0.62586436502342 0.73274608517368 0.14598909413201 15.999 > 25 29 O 0.37413563497658 0.48274608517368 0.35401090586799 15.999 > 29 30 O 0.87413563497658 0.48274608517368 0.35401090586799 15.999 > 29 31 O 0.37413563497658 0.98274608517368 0.35401090586799 15.999 > 29 32 O 0.87413563497658 0.98274608517368 0.35401090586799 15.999 > 29 33 O 0.27700654019576 0.18039537939045 0.28782014970232 15.999 > 33 34 O 0.77700654019576 0.18039537939045 0.28782014970232 15.999 > 33 35 O 0.27700654019576 0.68039537939045 0.28782014970232 15.999 > 33 36 O 0.77700654019576 0.68039537939045 0.28782014970232 15.999 > 33 37 O 0.22299345980424 0.43039537939045 0.21217985029768 15.999 > 37 38 O 0.72299345980424 0.43039537939045 0.21217985029768 15.999 > 37 39 O 0.22299345980424 0.93039537939045 0.21217985029768 15.999 > 37 40 O 0.72299345980424 0.93039537939045 0.21217985029768 15.999 > 37 41 O 0.22299345980424 0.31960462060955 0.71217985029769 15.999 > 41 42 O 0.72299345980424 0.31960462060955 0.71217985029769 15.999 > 41 43 O 0.22299345980424 0.81960462060955 0.71217985029769 15.999 > 41 44 O 0.72299345980424 0.81960462060955 0.71217985029769 15.999 > 41 45 O 0.27700654019576 0.06960462060955 0.78782014970231 15.999 > 45 46 O 0.77700654019576 0.06960462060955 0.78782014970231 15.999 > 45 47 O 0.27700654019576 0.56960462060955 0.78782014970231 15.999 > 45 48 O 0.77700654019576 0.56960462060955 0.78782014970231 15.999 > 45 49 O 0.48219635637754 0.11083370286805 0.52565230719728 15.999 > 49 50 O 0.98219635637754 0.11083370286805 0.52565230719728 15.999 > 49 51 O 0.48219635637754 0.61083370286805 0.52565230719728 15.999 > 49 52 O 0.98219635637754 0.61083370286805 0.52565230719728 15.999 > 49 53 O 0.01780364362246 0.36083370286805 0.97434769280272 15.999 > 53 54 O 0.51780364362246 0.36083370286805 0.97434769280272 15.999 > 53 55 O 0.01780364362246 0.86083370286805 0.97434769280272 15.999 > 53 56 O 0.51780364362246 0.86083370286805 0.97434769280272 15.999 > 53 57 O 0.01780364362246 0.38916629713195 0.47434769280272 15.999 > 57 58 O 0.51780364362246 0.38916629713195 0.47434769280272 15.999 > 57 59 O 0.01780364362246 0.88916629713195 0.47434769280272 15.999 > 57 60 O 0.51780364362246 0.88916629713195 0.47434769280272 15.999 > 57 61 O 0.48219635637754 0.13916629713195 0.02565230719728 15.999 > 61 62 O 0.98219635637754 0.13916629713195 0.02565230719728 15.999 > 61 63 O 0.48219635637754 0.63916629713195 0.02565230719728 15.999 > 61 64 O 0.98219635637754 0.63916629713195 0.02565230719728 15.999 > 61 65 O 0.26761867447096 0.13880453473427 0.02549591909621 15.999 > 65 66 O 0.76761867447096 0.13880453473427 0.02549591909621 15.999 > 65 67 O 0.26761867447096 0.63880453473427 0.02549591909621 15.999 > 65 68 O 0.76761867447096 0.63880453473427 0.02549591909621 15.999 > 65 69 O 0.23238132552904 0.38880453473427 0.47450408090379 15.999 > 69 70 O 0.73238132552904 0.38880453473427 0.47450408090379 15.999 > 69 71 O 0.23238132552904 0.88880453473427 0.47450408090379 15.999 > 69 72 O 0.73238132552904 0.88880453473427 0.47450408090379 15.999 > 69 73 O 0.23238132552904 0.36119546526573 0.97450408090379 15.999 > 73 74 O 0.73238132552904 0.36119546526573 0.97450408090379 15.999 > 73 75 O 0.23238132552904 0.86119546526573 0.97450408090379 15.999 > 73 76 O 0.73238132552904 0.86119546526573 0.97450408090379 15.999 > 73 77 O 0.26761867447096 0.11119546526573 0.52549591909621 15.999 > 77 78 O 0.76761867447096 0.11119546526573 0.52549591909621 15.999 > 77 79 O 0.26761867447096 0.61119546526573 0.52549591909621 15.999 > 77 80 O 0.76761867447096 0.61119546526573 0.52549591909621 15.999 > 77 81 O 0.47409546963121 0.18274465914881 0.28856002782840 15.999 > 81 82 O 0.97409546963121 0.18274465914881 0.28856002782840 15.999 > 81 83 O 0.47409546963121 0.68274465914881 0.28856002782840 15.999 > 81 84 O 0.97409546963121 0.68274465914881 0.28856002782840 15.999 > 81 85 O 0.02590453036879 0.43274465914881 0.21143997217160 15.999 > 85 86 O 0.52590453036879 0.43274465914881 0.21143997217160 15.999 > 85 87 O 0.02590453036879 0.93274465914881 0.21143997217160 15.999 > 85 88 O 0.52590453036879 0.93274465914881 0.21143997217160 15.999 > 85 89 O 0.02590453036879 0.31725534085119 0.71143997217160 15.999 > 89 90 O 0.52590453036879 0.31725534085119 0.71143997217160 15.999 > 89 91 O 0.02590453036879 0.81725534085119 0.71143997217160 15.999 > 89 92 O 0.52590453036879 0.81725534085119 0.71143997217160 15.999 > 89 93 O 0.47409546963121 0.06725534085119 0.78856002782840 15.999 > 93 94 O 0.97409546963121 0.06725534085119 0.78856002782840 15.999 > 93 95 O 0.47409546963121 0.56725534085119 0.78856002782840 15.999 > 93 96 O 0.97409546963121 0.56725534085119 0.78856002782840 15.999 > 93 97 Sr 0.37505121559213 0.26894883952927 0.45957240586675 87.620 > 97 98 Sr 0.87505121559213 0.26894883952927 0.45957240586675 87.620 > 97 99 Sr 0.37505121559213 0.76894883952927 0.45957240586675 87.620 > 97 100 Sr 0.87505121559213 0.76894883952927 0.45957240586675 87.620 > 97 101 Sr 0.12494878440787 0.01894883952927 0.04042759413325 87.620 > 101 102 Sr 0.62494878440787 0.01894883952927 0.04042759413325 87.620 > 101 103 Sr 0.12494878440787 0.51894883952927 0.04042759413325 87.620 > 101 104 Sr 0.62494878440787 0.51894883952927 0.04042759413325 87.620 > 101 105 Sr 0.12494878440787 0.23105116047073 0.54042759413325 87.620 > 105 106 Sr 0.62494878440787 0.23105116047073 0.54042759413325 87.620 > 105 107 Sr 0.12494878440787 0.73105116047073 0.54042759413325 87.620 > 105 108 Sr 0.62494878440787 0.73105116047073 0.54042759413325 87.620 > 105 109 Sr 0.37505121559213 0.48105116047073 0.95957240586675 87.620 > 109 110 Sr 0.87505121559213 0.48105116047073 0.95957240586675 87.620 > 109 111 Sr 0.37505121559213 0.98105116047073 0.95957240586675 87.620 > 109 112 Sr 0.87505121559213 0.98105116047073 0.95957240586675 87.620 > 109 113 Nb 0.49641211721398 0.23613377043324 0.85650911817381 92.906 > 113 114 Nb 0.99641211721398 0.23613377043324 0.85650911817381 92.906 > 113 115 Nb 0.49641211721398 0.73613377043324 0.85650911817381 92.906 > 113 116 Nb 0.99641211721398 0.73613377043324 0.85650911817381 92.906 > 113 117 Nb 0.00358788278602 0.48613377043324 0.64349088182619 92.906 > 117 118 Nb 0.50358788278602 0.48613377043324 0.64349088182619 92.906 > 117 119 Nb 0.00358788278602 0.98613377043324 0.64349088182619 92.906 > 117 120 Nb 0.50358788278602 0.98613377043324 0.64349088182619 92.906 > 117 121 Nb 0.00358788278602 0.26386622956676 0.14349088182619 92.906 > 121 122 Nb 0.50358788278602 0.26386622956676 0.14349088182619 92.906 > 121 123 Nb 0.00358788278602 0.76386622956676 0.14349088182619 92.906 > 121 124 Nb 0.50358788278602 0.76386622956676 0.14349088182619 92.906 > 121 125 Nb 0.49641211721398 0.01386622956676 0.35650911817381 92.906 > 125 126 Nb 0.99641211721398 0.01386622956676 0.35650911817381 92.906 > 125 127 Nb 0.49641211721398 0.51386622956676 0.35650911817381 92.906 > 125 128 Nb 0.99641211721398 0.51386622956676 0.35650911817381 92.906 > 125 129 Nb 0.24026335919505 0.23329439048903 0.85750726617078 92.906 > 129 130 Nb 0.74026335919505 0.23329439048903 0.85750726617078 92.906 > 129 131 Nb 0.24026335919505 0.73329439048903 0.85750726617078 92.906 > 129 132 Nb 0.74026335919505 0.73329439048903 0.85750726617078 92.906 > 129 133 Nb 0.25973664080495 0.48329439048903 0.64249273382922 92.906 > 133 134 Nb 0.75973664080495 0.48329439048903 0.64249273382922 92.906 > 133 135 Nb 0.25973664080495 0.98329439048903 0.64249273382922 92.906 > 133 136 Nb 0.75973664080495 0.98329439048903 0.64249273382922 92.906 > 133 137 Nb 0.25973664080495 0.26670560951097 0.14249273382922 92.906 > 137 138 Nb 0.75973664080495 0.26670560951097 0.14249273382922 92.906 > 137 139 Nb 0.25973664080495 0.76670560951097 0.14249273382922 92.906 > 137 140 Nb 0.75973664080495 0.76670560951097 0.14249273382922 92.906 > 137 141 Nb 0.24026335919505 0.01670560951097 0.35750726617078 92.906 > 141 142 Nb 0.74026335919505 0.01670560951097 0.35750726617078 92.906 > 141 143 Nb 0.24026335919505 0.51670560951097 0.35750726617078 92.906 > 141 144 Nb 0.74026335919505 0.51670560951097 0.35750726617078 92.906 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.0560181 0.0000000 -0.0659172 0.0000000 4.7789619 0.0000000 -0.0659491 0.0000000 5.6063702 -------------------------- Born effective charges -------------------------- 1 O -6.0616834 -0.3524276 0.1032028 -0.2856578 -1.4800477 0.2451990 0.0967565 0.1492193 -1.4410425 2 O -6.0616834 0.3524276 0.1032028 0.2856578 -1.4800477 -0.2451990 0.0967565 -0.1492193 -1.4410425 3 O -6.0616834 -0.3524276 0.1032028 -0.2856578 -1.4800477 0.2451990 0.0967565 0.1492193 -1.4410425 4 O -6.0616834 0.3524276 0.1032028 0.2856578 -1.4800477 -0.2451990 0.0967565 -0.1492193 -1.4410425 5 O -6.5205427 0.1492023 0.0545330 -0.1163790 -1.3250407 -0.0667043 0.0565893 -0.2743999 -1.2171989 6 O -6.5205427 -0.1492023 0.0545330 0.1163790 -1.3250407 0.0667043 0.0565893 0.2743999 -1.2171989 7 O -6.5205427 0.1492023 0.0545330 -0.1163790 -1.3250407 -0.0667043 0.0565893 -0.2743999 -1.2171989 8 O -6.5205427 -0.1492023 0.0545330 0.1163790 -1.3250407 0.0667043 0.0565893 0.2743999 -1.2171989 9 O -1.4601013 -0.2842684 -0.1190562 -0.3080315 -3.3313325 2.0355310 -0.0421816 2.2546657 -3.6560699 10 O -1.4601013 0.2842684 -0.1190562 0.3080315 -3.3313325 -2.0355310 -0.0421816 -2.2546657 -3.6560699 11 O -1.4601013 -0.2842684 -0.1190562 -0.3080315 -3.3313325 2.0355310 -0.0421816 2.2546657 -3.6560699 12 O -1.4601013 0.2842684 -0.1190562 0.3080315 -3.3313325 -2.0355310 -0.0421816 -2.2546657 -3.6560699 13 O -1.6721634 0.1553708 -0.2282678 0.2495224 -2.2610355 0.3007593 -0.2651340 0.8748851 -3.8049483 14 O -1.6721634 -0.1553708 -0.2282678 -0.2495224 -2.2610355 -0.3007593 -0.2651340 -0.8748851 -3.8049483 15 O -1.6721634 0.1553708 -0.2282678 0.2495224 -2.2610355 0.3007593 -0.2651340 0.8748851 -3.8049483 16 O -1.6721634 -0.1553708 -0.2282678 -0.2495224 -2.2610355 -0.3007593 -0.2651340 -0.8748851 -3.8049483 17 O -1.7033006 0.0139810 0.0429811 0.1454351 -2.2922648 -0.3835025 -0.0562911 -0.9302968 -3.7563118 18 O -1.7033006 -0.0139810 0.0429811 -0.1454351 -2.2922648 0.3835025 -0.0562911 0.9302968 -3.7563118 19 O -1.7033006 0.0139810 0.0429811 0.1454351 -2.2922648 -0.3835025 -0.0562911 -0.9302968 -3.7563118 20 O -1.7033006 -0.0139810 0.0429811 -0.1454351 -2.2922648 0.3835025 -0.0562911 0.9302968 -3.7563118 21 O -1.4721907 0.0208830 0.4488705 -0.0070870 -3.3855571 1.9547518 0.4975481 2.2181916 -3.6330435 22 O -1.4721907 -0.0208830 0.4488705 0.0070870 -3.3855571 -1.9547518 0.4975481 -2.2181916 -3.6330435 23 O -1.4721907 0.0208830 0.4488705 -0.0070870 -3.3855571 1.9547518 0.4975481 2.2181916 -3.6330435 24 O -1.4721907 -0.0208830 0.4488705 0.0070870 -3.3855571 -1.9547518 0.4975481 -2.2181916 -3.6330435 25 Sr 2.4837716 -0.0670697 -0.1385432 -0.0113609 3.2863964 0.2407767 0.0015671 0.1127139 2.4454054 26 Sr 2.4837716 0.0670697 -0.1385432 0.0113609 3.2863964 -0.2407767 0.0015671 -0.1127139 2.4454054 27 Sr 2.4837716 -0.0670697 -0.1385432 -0.0113609 3.2863964 0.2407767 0.0015671 0.1127139 2.4454054 28 Sr 2.4837716 0.0670697 -0.1385432 0.0113609 3.2863964 -0.2407767 0.0015671 -0.1127139 2.4454054 29 Nb 8.2463060 -1.3138204 0.0693221 0.6975961 5.3191002 -0.3708227 -0.1403508 1.2440485 7.5445641 30 Nb 8.2463060 1.3138204 0.0693221 -0.6975961 5.3191002 0.3708227 -0.1403508 -1.2440485 7.5445641 31 Nb 8.2463060 -1.3138204 0.0693221 0.6975961 5.3191002 -0.3708227 -0.1403508 1.2440485 7.5445641 32 Nb 8.2463060 1.3138204 0.0693221 -0.6975961 5.3191002 0.3708227 -0.1403508 -1.2440485 7.5445641 33 Nb 8.1599046 1.5687718 -0.2330422 -0.1570772 5.4697818 -0.3255727 -0.1485036 1.0608092 7.5186454 34 Nb 8.1599046 -1.5687718 -0.2330422 0.1570772 5.4697818 0.3255727 -0.1485036 -1.0608092 7.5186454 35 Nb 8.1599046 1.5687718 -0.2330422 -0.1570772 5.4697818 -0.3255727 -0.1485036 1.0608092 7.5186454 36 Nb 8.1599046 -1.5687718 -0.2330422 0.1570772 5.4697818 0.3255727 -0.1485036 -1.0608092 7.5186454 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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: 0.53, Number of G-points: 293, Lambda: 0.13 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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 2.034 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 4.082 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.293 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 4.977 ( 0.000 0.000 0.000) 0.000 5.027 ( 0.000 0.000 0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.471 ( 0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.676 ( 0.000 0.000 0.000) 0.000 5.901 ( 0.000 0.000 0.000) 0.000 5.920 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.175 ( 0.000 0.000 0.000) 0.000 6.199 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.633 ( 0.000 0.000 0.000) 0.000 6.878 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.451 ( 0.000 0.000 0.000) 0.000 7.464 ( 0.000 0.000 0.000) 0.000 7.670 ( 0.000 0.000 0.000) 0.000 7.803 ( 0.000 0.000 0.000) 0.000 7.904 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.573 ( 0.000 0.000 0.000) 0.000 8.598 ( 0.000 0.000 0.000) 0.000 8.743 ( 0.000 0.000 0.000) 0.000 9.103 ( 0.000 0.000 0.000) 0.000 9.202 ( 0.000 0.000 0.000) 0.000 9.283 ( 0.000 0.000 0.000) 0.000 9.289 ( 0.000 0.000 0.000) 0.000 9.415 ( 0.000 0.000 0.000) 0.000 9.775 ( 0.000 0.000 0.000) 0.000 9.829 ( 0.000 0.000 0.000) 0.000 9.833 ( 0.000 0.000 0.000) 0.000 10.288 ( 0.000 0.000 0.000) 0.000 10.309 ( 0.000 0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 10.463 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 11.207 ( 0.000 0.000 0.000) 0.000 11.216 ( 0.000 0.000 0.000) 0.000 11.250 ( 0.000 0.000 0.000) 0.000 11.306 ( 0.000 0.000 0.000) 0.000 11.312 ( 0.000 0.000 0.000) 0.000 11.569 ( 0.000 0.000 0.000) 0.000 11.772 ( 0.000 0.000 0.000) 0.000 11.939 ( 0.000 0.000 0.000) 0.000 12.217 ( 0.000 0.000 0.000) 0.000 12.303 ( 0.000 0.000 0.000) 0.000 12.367 ( 0.000 0.000 0.000) 0.000 12.688 ( 0.000 0.000 0.000) 0.000 12.737 ( 0.000 0.000 0.000) 0.000 12.794 ( 0.000 0.000 0.000) 0.000 12.914 ( 0.000 0.000 0.000) 0.000 13.396 ( 0.000 0.000 0.000) 0.000 13.420 ( 0.000 0.000 0.000) 0.000 13.458 ( 0.000 0.000 0.000) 0.000 13.590 ( 0.000 0.000 0.000) 0.000 13.747 ( 0.000 0.000 0.000) 0.000 15.223 ( 0.000 0.000 0.000) 0.000 15.393 ( 0.000 0.000 0.000) 0.000 15.631 ( 0.000 0.000 0.000) 0.000 15.710 ( 0.000 0.000 0.000) 0.000 15.715 ( 0.000 0.000 0.000) 0.000 16.154 ( 0.000 0.000 0.000) 0.000 17.220 ( 0.000 0.000 0.000) 0.000 18.386 ( 0.000 0.000 0.000) 0.000 18.391 ( 0.000 0.000 0.000) 0.000 18.587 ( 0.000 0.000 0.000) 0.000 18.620 ( 0.000 0.000 0.000) 0.000 18.793 ( 0.000 0.000 0.000) 0.000 19.077 ( 0.000 0.000 0.000) 0.000 19.215 ( 0.000 0.000 0.000) 0.000 19.277 ( 0.000 0.000 0.000) 0.000 19.939 ( 0.000 0.000 0.000) 0.000 20.080 ( 0.000 0.000 0.000) 0.000 21.827 ( 0.000 0.000 0.000) 0.000 24.074 ( 0.000 0.000 0.000) 0.000 24.777 ( 0.000 0.000 0.000) 0.000 25.083 ( 0.000 0.000 0.000) 0.000 25.273 ( 0.000 0.000 0.000) 0.000 25.585 ( 0.000 0.000 0.000) 0.000 25.946 ( 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 0.705 ( 31.174 0.000 -16.933) 35.476 0.785 ( 36.942 0.000 -5.411) 37.336 1.430 ( 66.889 0.000 -7.530) 67.311 2.389 ( 21.603 0.000 3.240) 21.844 2.390 ( -10.790 0.000 2.713) 11.126 2.602 ( 5.468 0.000 6.892) 8.798 2.873 ( 9.253 0.000 4.001) 10.081 2.963 ( 7.602 0.000 -9.068) 11.833 2.977 ( 11.394 0.000 0.026) 11.394 3.071 ( 36.583 0.000 4.402) 36.847 3.360 ( 1.756 0.000 4.557) 4.884 3.441 ( 17.372 0.000 0.501) 17.380 3.632 ( -0.974 0.000 -1.957) 2.186 3.637 ( 12.007 0.000 3.176) 12.420 3.882 ( 10.007 0.000 -11.444) 15.202 4.078 ( -1.340 0.000 2.596) 2.921 4.092 ( 14.891 0.000 1.397) 14.956 4.216 ( 3.913 0.000 -3.600) 5.317 4.268 ( 4.474 0.000 2.187) 4.980 4.462 ( 9.868 0.000 -1.707) 10.015 4.778 ( 1.349 0.000 -0.448) 1.421 4.847 ( -11.193 0.000 -0.041) 11.193 4.915 ( 3.839 0.000 -0.492) 3.870 5.175 ( -4.830 0.000 -7.572) 8.982 5.264 ( -1.735 0.000 -4.285) 4.623 5.550 ( 5.752 0.000 -8.159) 9.982 5.590 ( 2.278 0.000 -3.790) 4.422 5.606 ( 4.948 0.000 -1.006) 5.050 5.676 ( 5.016 0.000 1.512) 5.239 5.862 ( -4.540 0.000 -0.151) 4.543 5.894 ( -7.001 0.000 -1.593) 7.180 5.927 ( 1.579 0.000 0.534) 1.667 6.104 ( -0.744 0.000 -0.043) 0.746 6.202 ( 2.116 0.000 1.342) 2.506 6.242 ( 3.518 0.000 7.038) 7.868 6.325 ( 9.288 0.000 -1.966) 9.494 6.619 ( 4.106 0.000 -0.644) 4.156 6.683 ( 4.896 0.000 0.555) 4.928 6.800 ( -6.522 0.000 1.295) 6.649 7.107 ( -9.987 0.000 0.868) 10.025 7.276 ( -9.443 0.000 0.675) 9.467 7.535 ( 0.516 0.000 9.447) 9.461 7.694 ( -11.447 0.000 0.614) 11.463 7.734 ( 2.750 0.000 -3.000) 4.070 7.822 ( -1.200 0.000 -1.262) 1.741 7.969 ( 0.921 0.000 -13.642) 13.673 8.096 ( -8.235 0.000 -7.064) 10.850 8.270 ( -2.796 0.000 14.248) 14.520 8.447 ( -6.974 0.000 11.371) 13.339 8.549 ( -0.782 0.000 -9.977) 10.008 8.631 ( -9.932 0.000 9.657) 13.853 8.939 ( -9.806 0.000 -5.238) 11.117 9.329 ( -10.952 0.000 0.378) 10.959 9.413 ( 12.657 0.000 2.076) 12.826 9.560 ( 7.921 0.000 -3.261) 8.566 9.674 ( -1.097 0.000 -4.961) 5.080 9.742 ( 0.343 0.000 1.083) 1.136 9.755 ( 1.671 0.000 8.619) 8.779 10.227 ( -4.817 0.000 -2.921) 5.633 10.353 ( -6.041 0.000 -5.769) 8.353 10.353 ( 3.816 0.000 1.220) 4.006 10.617 ( 11.734 0.000 3.129) 12.144 10.668 ( 4.123 0.000 2.817) 4.994 11.097 ( -6.468 0.000 -0.266) 6.473 11.166 ( -8.625 0.000 -3.477) 9.299 11.214 ( 1.011 0.000 1.690) 1.969 11.267 ( 5.426 0.000 -0.701) 5.471 11.420 ( 3.840 0.000 -13.286) 13.830 11.498 ( 9.529 0.000 -5.290) 10.899 11.557 ( -4.068 0.000 -5.911) 7.176 11.757 ( -9.013 0.000 17.623) 19.793 11.881 ( -5.031 0.000 1.493) 5.248 12.161 ( -11.820 0.000 -4.816) 12.764 12.393 ( -0.102 0.000 4.678) 4.679 12.516 ( -9.765 0.000 1.251) 9.845 12.577 ( -1.998 0.000 -2.473) 3.180 12.746 ( -2.563 0.000 7.715) 8.130 12.843 ( 3.881 0.000 -0.544) 3.919 12.913 ( 0.142 0.000 -5.209) 5.211 13.256 ( -7.928 0.000 -4.687) 9.210 13.415 ( -4.017 0.000 1.899) 4.443 13.446 ( -1.284 0.000 3.363) 3.600 13.500 ( -7.045 0.000 -0.910) 7.104 13.820 ( -1.804 0.000 14.913) 15.022 15.249 ( 0.179 0.000 6.193) 6.196 15.543 ( 1.681 0.000 -9.815) 9.958 16.027 ( 27.806 0.000 1.302) 27.836 16.068 ( 41.021 0.000 -5.249) 41.355 16.160 ( 32.938 0.000 1.626) 32.978 17.203 ( -1.507 0.000 4.036) 4.308 18.269 ( -6.672 0.000 -2.851) 7.255 18.468 ( 2.848 0.000 5.294) 6.011 18.586 ( -0.689 0.000 -2.396) 2.494 18.651 ( 2.917 0.000 0.869) 3.044 18.817 ( 1.692 0.000 -0.189) 1.703 19.134 ( 5.526 0.000 -4.575) 7.174 19.184 ( -2.638 0.000 -2.327) 3.518 19.193 ( -2.454 0.000 4.975) 5.547 19.854 ( -7.623 0.000 -2.297) 7.961 20.032 ( -4.455 0.000 0.990) 4.564 22.068 ( 22.749 0.000 1.711) 22.813 24.159 ( 8.235 0.000 8.477) 11.819 24.627 ( 3.482 0.000 -21.941) 22.215 24.722 ( -6.188 0.000 -0.808) 6.241 25.057 ( -2.343 0.000 0.849) 2.492 25.278 ( 1.246 0.000 1.039) 1.623 25.530 ( -5.878 0.000 -2.491) 6.384 25.943 ( -0.999 0.000 2.010) 2.245 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.312 ( 24.685 0.000 -12.724) 27.772 1.581 ( 35.857 0.000 -5.056) 36.212 2.117 ( -13.708 0.000 6.251) 15.065 2.609 ( 1.898 0.000 -2.026) 2.776 2.643 ( -0.138 0.000 7.495) 7.497 2.768 ( 50.649 0.000 -2.190) 50.697 2.938 ( -24.787 0.000 3.979) 25.105 3.064 ( 11.983 0.000 5.471) 13.173 3.154 ( 8.680 0.000 -5.344) 10.193 3.371 ( 2.675 0.000 -3.879) 4.712 3.387 ( 18.091 0.000 -0.448) 18.097 3.561 ( -2.196 0.000 1.833) 2.860 3.693 ( 0.654 0.000 -6.818) 6.849 3.948 ( -2.442 0.000 5.406) 5.931 3.956 ( -7.235 0.000 0.628) 7.262 4.352 ( 10.619 0.000 0.652) 10.639 4.457 ( 14.013 0.000 0.717) 14.031 4.498 ( -20.088 0.000 0.602) 20.097 4.675 ( 26.139 0.000 2.131) 26.225 4.724 ( 15.244 0.000 -1.200) 15.291 4.789 ( 37.674 0.000 1.193) 37.693 4.926 ( 20.378 0.000 0.917) 20.399 5.126 ( 15.369 0.000 -0.028) 15.369 5.142 ( 0.151 0.000 -0.464) 0.488 5.254 ( 8.058 0.000 -4.173) 9.075 5.485 ( -8.554 0.000 -2.906) 9.034 5.619 ( -0.949 0.000 3.062) 3.205 5.714 ( -7.875 0.000 5.434) 9.568 5.718 ( 1.548 0.000 -8.667) 8.805 5.840 ( 5.662 0.000 -5.679) 8.020 5.850 ( 8.893 0.000 -11.006) 14.150 5.943 ( -4.828 0.000 -5.624) 7.413 6.055 ( -1.061 0.000 9.523) 9.582 6.221 ( -2.212 0.000 1.704) 2.792 6.302 ( -11.612 0.000 -2.207) 11.820 6.380 ( 9.713 0.000 3.052) 10.181 6.644 ( -8.086 0.000 3.717) 8.899 6.695 ( 2.164 0.000 4.369) 4.875 6.924 ( 16.825 0.000 -3.110) 17.110 7.060 ( -10.059 0.000 4.848) 11.167 7.081 ( 12.259 0.000 -0.842) 12.287 7.345 ( -12.989 0.000 -2.214) 13.176 7.637 ( 5.404 0.000 2.364) 5.899 7.732 ( 0.591 0.000 -3.389) 3.441 7.854 ( -11.283 0.000 4.016) 11.977 7.890 ( -3.788 0.000 1.010) 3.920 7.950 ( -4.891 0.000 -9.151) 10.375 8.085 ( -5.572 0.000 2.196) 5.990 8.291 ( -9.426 0.000 -1.548) 9.552 8.346 ( -14.665 0.000 8.808) 17.107 8.578 ( 0.424 0.000 -3.838) 3.862 8.700 ( -10.587 0.000 0.919) 10.627 9.078 ( -9.075 0.000 -0.537) 9.091 9.470 ( -5.533 0.000 -0.917) 5.609 9.483 ( -9.664 0.000 1.193) 9.738 9.747 ( 10.505 0.000 -1.778) 10.655 9.852 ( 3.066 0.000 7.208) 7.833 9.907 ( 5.022 0.000 -3.315) 6.018 10.112 ( -4.886 0.000 -1.439) 5.093 10.160 ( -7.436 0.000 -2.947) 7.998 10.483 ( 8.555 0.000 4.994) 9.906 10.782 ( 5.950 0.000 1.824) 6.223 10.895 ( 12.911 0.000 2.210) 13.099 10.963 ( -6.060 0.000 -5.477) 8.168 10.982 ( -7.189 0.000 0.002) 7.189 11.277 ( 3.857 0.000 -0.057) 3.857 11.377 ( -6.633 0.000 -5.337) 8.513 11.416 ( 4.178 0.000 -2.715) 4.982 11.497 ( -5.453 0.000 0.091) 5.454 11.591 ( -3.274 0.000 -1.886) 3.778 11.605 ( -0.975 0.000 2.717) 2.887 11.729 ( -7.297 0.000 3.174) 7.958 12.009 ( 2.991 0.000 -3.764) 4.808 12.316 ( -4.655 0.000 5.839) 7.467 12.364 ( -3.124 0.000 -0.482) 3.161 12.600 ( 2.637 0.000 -0.702) 2.728 12.628 ( -7.555 0.000 3.913) 8.508 12.912 ( -1.212 0.000 -5.123) 5.264 12.932 ( 3.675 0.000 0.014) 3.675 13.095 ( -6.148 0.000 -4.106) 7.393 13.294 ( -5.412 0.000 8.131) 9.768 13.359 ( -5.231 0.000 -4.000) 6.585 13.395 ( -2.578 0.000 3.628) 4.451 13.777 ( -2.127 0.000 2.014) 2.930 15.263 ( 0.788 0.000 2.681) 2.794 15.536 ( -0.984 0.000 -4.064) 4.182 16.651 ( 23.336 0.000 -6.936) 24.345 16.878 ( 27.682 0.000 5.509) 28.225 17.108 ( 48.607 0.000 -2.308) 48.662 17.181 ( 2.550 0.000 8.675) 9.042 18.078 ( -11.630 0.000 -2.656) 11.929 18.481 ( -11.780 0.000 -5.323) 12.927 18.512 ( 1.222 0.000 3.203) 3.429 18.722 ( 2.564 0.000 1.330) 2.888 18.840 ( 0.618 0.000 1.289) 1.429 19.125 ( -3.099 0.000 -2.305) 3.862 19.190 ( 4.360 0.000 9.029) 10.027 19.328 ( 11.998 0.000 -6.240) 13.524 19.632 ( -11.995 0.000 -4.579) 12.840 19.890 ( -8.493 0.000 2.674) 8.904 22.798 ( 42.509 0.000 3.011) 42.615 24.435 ( 16.839 0.000 1.451) 16.902 24.437 ( -21.690 0.000 -1.763) 21.761 24.722 ( 4.918 0.000 -7.465) 8.939 24.989 ( -3.645 0.000 3.264) 4.893 25.309 ( -14.615 0.000 -4.849) 15.398 25.370 ( 7.609 0.000 1.435) 7.743 25.867 ( -6.534 0.000 1.703) 6.752 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.772 ( 0.000 0.000 -0.000) 0.000 1.775 ( -0.000 0.000 0.000) 0.000 2.308 ( 0.000 0.000 -0.000) 0.000 2.311 ( -0.000 0.000 0.000) 0.000 2.637 ( -0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 -0.000) 0.000 3.190 ( 0.000 0.000 0.000) 0.000 3.236 ( -0.000 0.000 -0.000) 0.000 3.309 ( 0.000 0.000 -0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 3.697 ( -0.000 0.000 -0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.794 ( -0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 4.000 ( -0.000 0.000 -0.000) 0.000 4.469 ( -0.000 0.000 0.000) 0.000 4.508 ( 0.000 0.000 -0.000) 0.000 4.916 ( -0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 -0.000) 0.000 5.130 ( 0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 -0.000) 0.000 5.348 ( 0.000 0.000 -0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 -0.000) 0.000 5.459 ( -0.000 0.000 -0.000) 0.000 5.530 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.700 ( -0.000 0.000 -0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.946 ( 0.000 0.000 -0.000) 0.000 6.026 ( -0.000 0.000 0.000) 0.000 6.056 ( 0.000 0.000 -0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.461 ( 0.000 0.000 0.000) 0.000 6.601 ( 0.000 0.000 -0.000) 0.000 6.684 ( -0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 7.069 ( -0.000 0.000 -0.000) 0.000 7.452 ( 0.000 0.000 -0.000) 0.000 7.487 ( 0.000 0.000 -0.000) 0.000 7.506 ( -0.000 0.000 0.000) 0.000 7.531 ( -0.000 0.000 0.000) 0.000 7.762 ( 0.000 0.000 -0.000) 0.000 7.795 ( 0.000 0.000 -0.000) 0.000 7.888 ( 0.000 0.000 0.000) 0.000 8.031 ( 0.000 0.000 0.000) 0.000 8.094 ( 0.000 0.000 0.000) 0.000 8.211 ( 0.000 0.000 -0.000) 0.000 8.560 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 -0.000) 0.000 8.984 ( 0.000 0.000 0.000) 0.000 9.347 ( 0.000 0.000 0.000) 0.000 9.395 ( 0.000 0.000 0.000) 0.000 9.864 ( 0.000 0.000 -0.000) 0.000 9.877 ( -0.000 0.000 0.000) 0.000 9.909 ( 0.000 0.000 0.000) 0.000 10.053 ( 0.000 0.000 0.000) 0.000 10.128 ( 0.000 0.000 -0.000) 0.000 10.645 ( 0.000 0.000 0.000) 0.000 10.819 ( -0.000 0.000 -0.000) 0.000 10.894 ( 0.000 0.000 -0.000) 0.000 10.909 ( 0.000 0.000 0.000) 0.000 11.139 ( 0.000 0.000 0.000) 0.000 11.194 ( -0.000 0.000 -0.000) 0.000 11.319 ( 0.000 0.000 0.000) 0.000 11.361 ( 0.000 0.000 -0.000) 0.000 11.444 ( 0.000 0.000 0.000) 0.000 11.600 ( 0.000 0.000 -0.000) 0.000 11.601 ( 0.000 0.000 0.000) 0.000 11.617 ( -0.000 0.000 -0.000) 0.000 12.103 ( 0.000 0.000 -0.000) 0.000 12.264 ( 0.000 0.000 0.000) 0.000 12.382 ( 0.000 0.000 -0.000) 0.000 12.489 ( -0.000 0.000 0.000) 0.000 12.635 ( 0.000 0.000 -0.000) 0.000 12.874 ( 0.000 0.000 -0.000) 0.000 12.973 ( 0.000 0.000 0.000) 0.000 13.025 ( -0.000 0.000 -0.000) 0.000 13.253 ( 0.000 0.000 0.000) 0.000 13.282 ( -0.000 0.000 -0.000) 0.000 13.363 ( 0.000 0.000 0.000) 0.000 13.748 ( 0.000 0.000 0.000) 0.000 15.273 ( 0.000 0.000 0.000) 0.000 15.522 ( 0.000 0.000 0.000) 0.000 16.961 ( -0.000 0.000 0.000) 0.000 16.987 ( 0.000 0.000 -0.000) 0.000 17.483 ( -0.000 0.000 -0.000) 0.000 17.829 ( 0.000 0.000 0.000) 0.000 17.979 ( -0.000 0.000 -0.000) 0.000 18.030 ( 0.000 0.000 0.000) 0.000 18.525 ( 0.000 0.000 -0.000) 0.000 18.747 ( 0.000 0.000 0.000) 0.000 18.854 ( 0.000 0.000 0.000) 0.000 19.083 ( 0.000 0.000 0.000) 0.000 19.348 ( 0.000 0.000 0.000) 0.000 19.393 ( -0.000 0.000 -0.000) 0.000 19.544 ( 0.000 0.000 -0.000) 0.000 19.723 ( 0.000 0.000 0.000) 0.000 23.678 ( 0.000 0.000 0.000) 0.000 23.819 ( 0.000 0.000 0.000) 0.000 24.781 ( -0.000 0.000 0.000) 0.000 24.782 ( 0.000 0.000 -0.000) 0.000 24.936 ( 0.000 0.000 -0.000) 0.000 24.997 ( 0.000 0.000 0.000) 0.000 25.529 ( 0.000 0.000 -0.000) 0.000 25.723 ( 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 0.641 ( 0.000 32.039 0.000) 32.039 0.755 ( 0.000 36.902 0.000) 36.902 1.164 ( 0.000 57.077 0.000) 57.077 2.089 ( 0.000 2.507 0.000) 2.507 2.335 ( 0.000 1.081 0.000) 1.081 2.361 ( 0.000 -7.395 0.000) 7.395 2.560 ( 0.000 0.660 0.000) 0.660 2.682 ( 0.000 -9.940 0.000) 9.940 2.841 ( 0.000 0.624 0.000) 0.624 2.951 ( 0.000 -4.010 0.000) 4.010 3.040 ( 0.000 9.607 0.000) 9.607 3.567 ( 0.000 8.852 0.000) 8.852 3.646 ( 0.000 -4.895 0.000) 4.895 3.676 ( 0.000 7.115 0.000) 7.115 3.763 ( 0.000 -2.297 0.000) 2.297 3.957 ( 0.000 0.116 0.000) 0.116 4.000 ( 0.000 -7.836 0.000) 7.836 4.054 ( 0.000 -6.584 0.000) 6.584 4.090 ( 0.000 -5.873 0.000) 5.873 4.318 ( 0.000 0.889 0.000) 0.889 4.784 ( 0.000 -6.364 0.000) 6.364 4.965 ( 0.000 -4.858 0.000) 4.858 5.094 ( 0.000 10.854 0.000) 10.854 5.246 ( 0.000 -3.829 0.000) 3.829 5.373 ( 0.000 -8.886 0.000) 8.886 5.415 ( 0.000 -3.834 0.000) 3.834 5.448 ( 0.000 -3.793 0.000) 3.793 5.665 ( 0.000 3.082 0.000) 3.082 5.709 ( 0.000 -0.460 0.000) 0.460 5.739 ( 0.000 -14.099 0.000) 14.099 5.921 ( 0.000 3.306 0.000) 3.306 6.041 ( 0.000 5.099 0.000) 5.099 6.104 ( 0.000 -1.592 0.000) 1.592 6.146 ( 0.000 3.085 0.000) 3.085 6.200 ( 0.000 3.141 0.000) 3.141 6.241 ( 0.000 7.567 0.000) 7.567 6.248 ( 0.000 3.941 0.000) 3.941 6.612 ( 0.000 3.134 0.000) 3.134 6.652 ( 0.000 2.029 0.000) 2.029 6.871 ( 0.000 -0.632 0.000) 0.632 7.252 ( 0.000 -0.157 0.000) 0.157 7.442 ( 0.000 -1.192 0.000) 1.192 7.446 ( 0.000 -2.611 0.000) 2.611 7.601 ( 0.000 -6.451 0.000) 6.451 7.781 ( 0.000 -1.849 0.000) 1.849 7.917 ( 0.000 1.081 0.000) 1.081 7.941 ( 0.000 -6.680 0.000) 6.680 8.379 ( 0.000 -0.018 0.000) 0.018 8.572 ( 0.000 1.766 0.000) 1.766 8.657 ( 0.000 4.168 0.000) 4.168 8.764 ( 0.000 1.878 0.000) 1.878 9.020 ( 0.000 -7.699 0.000) 7.699 9.215 ( 0.000 -7.516 0.000) 7.516 9.225 ( 0.000 -2.017 0.000) 2.017 9.258 ( 0.000 1.366 0.000) 1.366 9.401 ( 0.000 -1.382 0.000) 1.382 9.791 ( 0.000 -0.742 0.000) 0.742 9.845 ( 0.000 1.210 0.000) 1.210 9.866 ( 0.000 2.490 0.000) 2.490 10.273 ( 0.000 -8.679 0.000) 8.679 10.278 ( 0.000 -2.524 0.000) 2.524 10.370 ( 0.000 -6.676 0.000) 6.676 10.441 ( 0.000 0.100 0.000) 0.100 10.768 ( 0.000 0.761 0.000) 0.761 11.085 ( 0.000 -3.965 0.000) 3.965 11.159 ( 0.000 -5.035 0.000) 5.035 11.286 ( 0.000 -2.930 0.000) 2.930 11.355 ( 0.000 7.958 0.000) 7.958 11.466 ( 0.000 8.711 0.000) 8.711 11.507 ( 0.000 -5.831 0.000) 5.831 11.774 ( 0.000 -0.076 0.000) 0.076 12.182 ( 0.000 -1.472 0.000) 1.472 12.273 ( 0.000 -0.795 0.000) 0.795 12.280 ( 0.000 -2.349 0.000) 2.349 12.437 ( 0.000 5.683 0.000) 5.683 12.736 ( 0.000 -1.450 0.000) 1.450 12.809 ( 0.000 2.057 0.000) 2.057 12.857 ( 0.000 2.171 0.000) 2.171 13.426 ( 0.000 3.102 0.000) 3.102 13.468 ( 0.000 3.204 0.000) 3.204 13.566 ( 0.000 -2.561 0.000) 2.561 13.576 ( 0.000 8.021 0.000) 8.021 13.811 ( 0.000 7.770 0.000) 7.770 14.350 ( 0.000 10.526 0.000) 10.526 15.298 ( 0.000 7.271 0.000) 7.271 15.423 ( 0.000 2.829 0.000) 2.829 15.638 ( 0.000 1.336 0.000) 1.336 15.817 ( 0.000 9.397 0.000) 9.397 15.997 ( 0.000 2.673 0.000) 2.673 16.165 ( 0.000 1.680 0.000) 1.680 17.205 ( 0.000 -3.809 0.000) 3.809 18.369 ( 0.000 -6.786 0.000) 6.786 18.383 ( 0.000 -0.352 0.000) 0.352 18.646 ( 0.000 1.638 0.000) 1.638 18.774 ( 0.000 -3.185 0.000) 3.185 18.940 ( 0.000 -10.110 0.000) 10.110 19.002 ( 0.000 -16.960 0.000) 16.960 19.356 ( 0.000 4.379 0.000) 4.379 19.780 ( 0.000 -13.694 0.000) 13.694 20.012 ( 0.000 -6.899 0.000) 6.899 21.792 ( 0.000 23.047 0.000) 23.047 23.562 ( 0.000 -0.715 0.000) 0.715 24.024 ( 0.000 -4.850 0.000) 4.850 24.845 ( 0.000 2.686 0.000) 2.686 25.097 ( 0.000 1.534 0.000) 1.534 25.152 ( 0.000 -11.662 0.000) 11.662 25.570 ( 0.000 -1.492 0.000) 1.492 25.920 ( 0.000 -2.623 0.000) 2.623 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 0.853 ( 22.126 21.132 -8.675) 31.802 1.056 ( 28.266 20.473 -3.406) 35.067 1.889 ( 49.446 37.549 -7.595) 62.550 2.362 ( 7.001 -0.899 5.609) 9.016 2.445 ( 4.899 3.098 1.797) 6.069 2.482 ( 5.124 -8.110 4.116) 10.438 2.829 ( 10.186 -3.441 -3.727) 11.379 2.907 ( 12.250 -4.303 -5.465) 14.087 3.014 ( 25.483 0.533 -1.298) 25.521 3.145 ( 20.872 7.434 7.261) 23.316 3.269 ( 17.610 -3.066 5.251) 18.630 3.496 ( -0.898 0.017 2.504) 2.660 3.627 ( 3.130 -5.165 -4.199) 7.355 3.672 ( -1.528 2.262 -1.404) 3.070 3.830 ( 16.011 2.179 -2.980) 16.431 3.971 ( 2.451 -6.130 1.630) 6.800 4.116 ( 12.677 -2.220 0.875) 12.900 4.170 ( 7.264 -4.570 -0.045) 8.582 4.230 ( 3.039 -6.967 -0.456) 7.614 4.343 ( 5.528 -4.080 -0.605) 6.897 4.809 ( 2.673 -6.043 -0.653) 6.640 4.896 ( 3.332 3.748 2.789) 5.738 4.956 ( -10.204 9.107 0.848) 13.703 5.158 ( -2.451 -4.391 -16.775) 17.512 5.226 ( -2.782 -1.615 1.879) 3.725 5.475 ( 1.060 -3.918 -2.442) 4.737 5.537 ( 4.777 -2.259 -4.818) 7.151 5.606 ( 2.661 -3.713 -6.434) 7.890 5.731 ( 0.975 -4.311 -1.360) 4.625 5.805 ( 4.817 7.434 5.738) 10.554 5.924 ( -3.758 4.636 -2.277) 6.388 6.052 ( -1.007 4.932 3.913) 6.375 6.109 ( -0.028 0.080 -2.363) 2.364 6.179 ( 2.378 -1.379 1.844) 3.310 6.282 ( 2.985 3.219 5.431) 6.983 6.359 ( 7.115 3.547 -0.760) 7.987 6.648 ( 2.928 2.392 -0.515) 3.816 6.683 ( 2.954 0.106 0.813) 3.066 6.805 ( -4.330 0.686 0.429) 4.405 7.106 ( -9.878 -0.350 0.661) 9.906 7.260 ( -6.337 -7.408 2.371) 10.033 7.352 ( 1.329 -14.654 4.197) 15.301 7.600 ( 0.642 -4.157 -1.961) 4.641 7.720 ( 0.668 -2.360 0.389) 2.483 7.771 ( 4.638 -4.779 1.956) 6.941 7.918 ( 3.911 -1.005 -1.937) 4.479 8.041 ( -0.908 -4.287 -9.948) 10.870 8.354 ( -4.008 4.884 8.138) 10.303 8.443 ( -7.941 -1.221 12.372) 14.752 8.475 ( -3.053 -6.684 -4.079) 8.404 8.657 ( -9.839 2.067 -0.909) 10.095 8.934 ( -5.145 -0.855 -3.301) 6.172 9.219 ( -7.064 -6.960 -0.513) 9.930 9.394 ( 12.163 -4.290 1.896) 13.036 9.486 ( 3.133 -9.484 -2.357) 10.263 9.609 ( 7.887 -2.316 -3.284) 8.852 9.721 ( -4.322 -1.653 1.026) 4.740 9.815 ( 2.939 5.131 4.018) 7.149 10.161 ( 6.725 -12.280 -2.791) 14.276 10.276 ( 0.723 0.734 -0.780) 1.292 10.325 ( -1.850 -4.196 -3.914) 6.029 10.474 ( 12.713 -18.564 3.127) 22.716 10.563 ( 11.963 -4.466 0.222) 12.772 10.794 ( 1.075 -5.655 -1.885) 6.056 11.045 ( -3.466 -4.311 3.195) 6.388 11.191 ( 4.159 -6.368 1.326) 7.721 11.336 ( 0.572 3.199 -2.732) 4.245 11.385 ( 2.950 5.490 -3.580) 7.188 11.472 ( 0.968 -5.182 -2.566) 5.862 11.550 ( 6.119 0.577 -0.674) 6.183 11.708 ( -5.381 2.859 3.821) 7.193 12.038 ( -12.735 2.397 5.457) 14.061 12.161 ( -2.875 0.628 -1.509) 3.307 12.315 ( -2.960 -4.689 -1.586) 5.767 12.432 ( 0.076 3.061 2.082) 3.703 12.668 ( -6.624 -6.450 2.621) 9.610 12.806 ( -0.501 4.397 -0.324) 4.437 12.917 ( 3.766 4.235 -0.106) 5.669 13.208 ( -22.418 15.841 -5.632) 28.022 13.337 ( -12.432 6.276 -0.470) 13.934 13.430 ( -4.535 -0.438 0.290) 4.566 13.483 ( -6.856 8.867 -3.742) 11.817 13.609 ( -2.445 9.011 -4.301) 10.280 13.970 ( -5.210 15.521 19.163) 25.204 15.326 ( 1.218 7.532 4.658) 8.939 15.612 ( 3.865 6.748 -7.788) 11.006 16.060 ( 36.409 1.659 -2.455) 36.529 16.096 ( 28.208 5.336 -0.414) 28.711 16.230 ( 32.834 5.784 -0.690) 33.347 17.163 ( 0.410 -4.652 2.841) 5.466 17.842 ( 44.379 -42.664 2.156) 61.598 18.325 ( -0.992 -3.248 1.661) 3.780 18.435 ( 3.148 -6.646 -1.926) 7.602 18.639 ( -1.730 1.324 -3.353) 3.998 18.791 ( 1.145 -5.055 -0.331) 5.194 18.904 ( -1.065 -13.707 3.333) 14.147 19.023 ( 0.361 -12.392 -2.303) 12.610 19.338 ( 0.396 5.790 0.375) 5.816 19.720 ( -5.859 -12.055 -1.682) 13.508 19.969 ( -3.849 -6.407 1.132) 7.559 22.185 ( 26.706 13.556 1.035) 29.967 24.065 ( 25.021 -24.881 21.683) 41.416 24.122 ( 11.048 -7.518 -30.887) 33.654 24.779 ( -6.679 3.252 0.744) 7.466 25.066 ( -2.701 0.807 1.365) 3.132 25.170 ( 2.185 -10.008 0.853) 10.279 25.512 ( -5.916 -1.638 -2.738) 6.722 25.921 ( -1.074 -2.563 1.773) 3.296 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.395 ( 24.007 9.928 -7.130) 26.940 1.711 ( 31.088 11.432 -4.549) 33.434 2.164 ( -12.310 4.738 3.917) 13.759 2.547 ( 2.863 -6.942 6.225) 9.754 2.607 ( 1.588 0.276 -1.137) 1.972 2.925 ( -7.618 0.465 3.856) 8.551 2.979 ( 11.181 8.869 0.642) 14.286 3.082 ( 27.045 8.192 -4.852) 28.672 3.137 ( 8.013 -2.389 -5.013) 9.749 3.394 ( 9.948 3.461 -2.164) 10.753 3.411 ( 5.227 1.521 2.895) 6.166 3.546 ( -3.309 -3.470 0.571) 4.829 3.693 ( 0.922 -1.263 -4.377) 4.648 3.834 ( 3.791 2.130 4.438) 6.213 4.121 ( -3.834 5.950 0.526) 7.098 4.250 ( 7.197 -8.597 1.135) 11.269 4.335 ( 5.788 -12.317 -0.333) 13.613 4.539 ( 8.253 -2.579 0.260) 8.650 4.596 ( 28.542 -3.588 2.051) 28.840 4.677 ( -0.881 4.531 3.213) 5.624 4.739 ( 36.623 -4.306 -1.479) 36.905 4.924 ( 5.991 -8.738 -1.180) 10.660 5.099 ( 7.427 1.897 2.413) 8.036 5.181 ( 6.775 -0.637 -1.100) 6.893 5.259 ( 14.915 2.092 -4.980) 15.863 5.424 ( -3.194 -4.685 1.283) 5.813 5.636 ( 3.348 -3.498 -4.608) 6.684 5.696 ( -1.846 0.049 1.351) 2.288 5.727 ( -10.969 4.482 -0.284) 11.853 5.809 ( 13.769 0.961 -10.034) 17.064 5.887 ( 0.001 3.722 -4.235) 5.638 5.982 ( -7.830 0.724 1.762) 8.059 6.143 ( 2.299 5.784 2.870) 6.854 6.257 ( 2.219 2.724 0.856) 3.616 6.341 ( -9.018 4.050 -1.794) 10.047 6.394 ( 7.107 1.265 3.130) 7.868 6.612 ( -6.918 -2.558 2.340) 7.738 6.721 ( 1.994 1.912 4.163) 4.997 6.904 ( 13.845 -1.927 1.684) 14.079 7.029 ( -11.121 -2.294 3.761) 11.962 7.068 ( 6.587 -3.121 -2.823) 7.817 7.248 ( -5.382 -7.149 -2.377) 9.259 7.615 ( 4.744 -1.720 0.349) 5.058 7.724 ( 1.550 -0.672 -2.650) 3.143 7.834 ( -4.058 -4.135 -2.896) 6.477 7.855 ( -8.671 0.119 3.286) 9.273 7.972 ( -6.224 2.050 -2.850) 7.146 8.116 ( -8.826 0.367 -1.523) 8.964 8.263 ( -7.322 -1.360 1.929) 7.693 8.331 ( -11.266 -1.167 8.810) 14.350 8.600 ( -0.003 1.784 -4.045) 4.421 8.775 ( -8.941 6.535 1.668) 11.200 9.033 ( -6.660 -3.784 -0.471) 7.675 9.386 ( -7.632 -9.133 1.062) 11.949 9.490 ( -6.164 -0.129 -1.261) 6.293 9.663 ( 6.964 -5.781 -0.503) 9.064 9.833 ( 0.709 -3.727 -2.613) 4.607 9.933 ( 7.390 3.044 3.650) 8.787 10.094 ( -5.417 0.122 -1.502) 5.623 10.224 ( -2.730 3.341 -2.938) 5.220 10.378 ( 5.865 -7.792 2.553) 10.081 10.606 ( 1.484 -17.152 2.783) 17.439 10.790 ( 1.624 -6.551 -3.837) 7.764 10.882 ( 12.670 -1.574 1.692) 12.879 10.954 ( -4.156 -3.735 0.771) 5.641 11.300 ( -3.432 -1.607 -3.795) 5.363 11.326 ( 4.613 -5.937 0.772) 7.558 11.385 ( -1.303 2.061 -1.303) 2.765 11.522 ( -1.581 2.388 -1.991) 3.488 11.604 ( 0.570 6.099 2.513) 6.621 11.712 ( 1.414 2.129 -2.479) 3.561 11.809 ( -1.603 -0.688 3.767) 4.152 12.072 ( -4.320 9.077 -3.956) 10.803 12.232 ( -3.127 -5.677 5.346) 8.401 12.400 ( -4.767 -0.011 0.083) 4.768 12.512 ( -4.278 -6.867 7.003) 10.700 12.696 ( -8.055 7.762 -8.463) 14.028 12.902 ( -6.447 1.695 -1.333) 6.798 13.000 ( 1.517 3.023 0.837) 3.484 13.164 ( -2.317 5.149 -0.602) 5.678 13.319 ( -4.544 2.415 1.690) 5.416 13.367 ( -4.940 4.809 0.663) 6.926 13.528 ( -3.913 9.171 -2.290) 10.230 13.906 ( -2.053 12.084 4.669) 13.117 15.356 ( 1.356 9.101 2.748) 9.603 15.619 ( -1.039 8.223 -4.327) 9.350 16.681 ( 22.067 3.015 -5.258) 22.885 16.905 ( 26.348 2.358 4.310) 26.802 17.097 ( 36.940 -0.152 1.514) 36.971 17.201 ( 16.249 1.271 4.105) 16.807 18.069 ( -8.521 -1.418 -1.726) 8.809 18.429 ( 3.234 -6.071 -0.011) 6.879 18.479 ( -10.081 -3.531 -2.713) 11.021 18.595 ( 6.771 -9.692 -0.564) 11.836 18.782 ( -1.938 -7.527 -0.261) 7.777 18.915 ( 1.499 -13.953 1.069) 14.074 19.076 ( 6.371 -8.972 4.990) 12.083 19.415 ( 6.093 2.756 -2.263) 7.060 19.536 ( -10.306 -8.325 -3.944) 13.823 19.852 ( -6.683 -4.142 2.281) 8.187 22.914 ( 40.383 11.037 2.293) 41.927 24.389 ( 11.637 -3.126 6.938) 13.904 24.471 ( -2.528 -3.275 -15.300) 15.850 24.555 ( 2.674 -8.578 1.054) 9.047 24.980 ( -5.364 -0.219 4.102) 6.756 25.282 ( 8.596 -8.528 1.302) 12.178 25.289 ( -14.758 -1.914 -4.667) 15.596 25.830 ( -7.766 -3.659 1.528) 8.719 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.841 ( -0.000 7.250 0.000) 7.250 1.842 ( 0.000 6.939 -0.000) 6.939 2.351 ( -0.000 3.998 0.000) 3.998 2.392 ( 0.000 7.259 -0.000) 7.259 2.589 ( -0.000 -3.842 -0.000) 3.842 2.605 ( 0.000 -2.183 -0.000) 2.183 3.154 ( -0.000 -8.201 -0.000) 8.201 3.217 ( 0.000 0.089 0.000) 0.089 3.336 ( 0.000 1.602 -0.000) 1.602 3.432 ( -0.000 -4.853 0.000) 4.853 3.602 ( -0.000 -3.212 -0.000) 3.212 3.607 ( 0.000 1.078 0.000) 1.078 3.859 ( -0.000 8.689 0.000) 8.689 3.941 ( -0.000 9.843 0.000) 9.843 4.092 ( -0.000 13.390 -0.000) 13.390 4.095 ( 0.000 6.788 -0.000) 6.788 4.370 ( 0.000 -12.433 0.000) 12.433 4.385 ( 0.000 -6.757 -0.000) 6.757 4.810 ( -0.000 -10.797 0.000) 10.797 4.870 ( 0.000 -4.719 0.000) 4.719 5.168 ( -0.000 -5.232 -0.000) 5.232 5.176 ( -0.000 -2.957 0.000) 2.957 5.251 ( 0.000 -8.561 0.000) 8.561 5.281 ( -0.000 -5.641 0.000) 5.641 5.386 ( -0.000 2.511 0.000) 2.511 5.515 ( 0.000 1.125 -0.000) 1.125 5.553 ( -0.000 5.014 0.000) 5.014 5.715 ( 0.000 4.104 -0.000) 4.104 5.737 ( -0.000 2.306 -0.000) 2.306 5.775 ( 0.000 5.285 0.000) 5.285 5.857 ( -0.000 -4.306 0.000) 4.306 5.970 ( -0.000 -0.876 0.000) 0.876 6.190 ( 0.000 6.801 -0.000) 6.801 6.248 ( -0.000 11.360 0.000) 11.360 6.279 ( -0.000 -1.535 0.000) 1.535 6.461 ( 0.000 -0.225 -0.000) 0.225 6.606 ( 0.000 1.047 -0.000) 1.047 6.684 ( -0.000 -2.109 0.000) 2.109 6.849 ( 0.000 -1.759 -0.000) 1.759 6.995 ( 0.000 -6.479 -0.000) 6.479 7.340 ( 0.000 -9.483 -0.000) 9.483 7.409 ( 0.000 -3.583 -0.000) 3.583 7.507 ( -0.000 0.572 -0.000) 0.572 7.627 ( -0.000 1.346 0.000) 1.346 7.789 ( 0.000 3.688 0.000) 3.688 7.791 ( -0.000 -0.173 -0.000) 0.173 7.849 ( -0.000 -3.060 -0.000) 3.060 7.976 ( 0.000 -3.161 0.000) 3.161 8.095 ( 0.000 -0.351 0.000) 0.351 8.314 ( 0.000 8.482 0.000) 8.482 8.563 ( -0.000 1.226 -0.000) 1.226 8.644 ( -0.000 5.628 -0.000) 5.628 8.974 ( -0.000 -1.100 -0.000) 1.100 9.271 ( 0.000 -6.698 -0.000) 6.698 9.417 ( 0.000 0.461 0.000) 0.461 9.693 ( 0.000 -8.987 -0.000) 8.987 9.826 ( 0.000 -7.814 0.000) 7.814 9.992 ( 0.000 1.175 0.000) 1.175 10.066 ( 0.000 8.299 0.000) 8.299 10.220 ( -0.000 4.188 0.000) 4.188 10.482 ( 0.000 -12.976 0.000) 12.976 10.590 ( 0.000 -14.422 -0.000) 14.422 10.821 ( 0.000 -7.146 0.000) 7.146 10.893 ( -0.000 -2.243 -0.000) 2.243 11.134 ( 0.000 -4.254 0.000) 4.254 11.161 ( -0.000 0.979 -0.000) 0.979 11.356 ( -0.000 1.588 -0.000) 1.588 11.367 ( -0.000 -3.065 0.000) 3.065 11.450 ( -0.000 4.911 0.000) 4.911 11.650 ( -0.000 6.477 -0.000) 6.477 11.676 ( -0.000 3.176 -0.000) 3.176 11.869 ( 0.000 10.093 -0.000) 10.093 12.035 ( 0.000 2.062 -0.000) 2.062 12.223 ( 0.000 -2.769 0.000) 2.769 12.284 ( -0.000 -9.676 0.000) 9.676 12.518 ( -0.000 1.605 -0.000) 1.605 12.584 ( 0.000 -4.339 0.000) 4.339 12.779 ( -0.000 -1.471 -0.000) 1.471 13.044 ( 0.000 2.323 0.000) 2.323 13.159 ( -0.000 9.996 -0.000) 9.996 13.279 ( -0.000 2.115 0.000) 2.115 13.290 ( 0.000 3.512 0.000) 3.512 13.478 ( -0.000 8.726 -0.000) 8.726 13.881 ( 0.000 11.981 0.000) 11.981 15.373 ( 0.000 9.887 -0.000) 9.887 15.603 ( -0.000 7.949 0.000) 7.949 16.955 ( -0.000 -0.592 0.000) 0.592 17.009 ( 0.000 2.054 -0.000) 2.054 17.516 ( -0.000 3.226 -0.000) 3.226 17.847 ( 0.000 1.653 0.000) 1.653 17.983 ( -0.000 0.406 -0.000) 0.406 18.029 ( 0.000 0.232 0.000) 0.232 18.468 ( 0.000 -6.157 -0.000) 6.157 18.690 ( -0.000 -5.651 -0.000) 5.651 18.748 ( 0.000 -9.459 0.000) 9.459 18.939 ( 0.000 -11.895 0.000) 11.895 19.276 ( 0.000 -10.280 0.000) 10.280 19.285 ( -0.000 -6.197 -0.000) 6.197 19.543 ( 0.000 -1.364 -0.000) 1.364 19.736 ( -0.000 0.187 0.000) 0.187 23.750 ( -0.000 6.913 -0.000) 6.913 23.887 ( 0.000 6.565 0.000) 6.565 24.740 ( -0.000 -4.117 0.000) 4.117 24.764 ( 0.000 -1.989 -0.000) 1.989 24.878 ( 0.000 -4.783 -0.000) 4.783 24.958 ( 0.000 -3.340 0.000) 3.340 25.469 ( 0.000 -5.951 -0.000) 5.951 25.656 ( -0.000 -6.525 0.000) 6.525 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.267 ( 0.000 30.729 0.000) 30.729 1.446 ( 0.000 32.212 0.000) 32.212 2.074 ( 0.000 13.152 0.000) 13.152 2.238 ( 0.000 20.207 0.000) 20.207 2.239 ( 0.000 -3.586 0.000) 3.586 2.364 ( 0.000 2.204 0.000) 2.204 2.557 ( 0.000 12.182 0.000) 12.182 2.587 ( 0.000 2.780 0.000) 2.780 2.886 ( 0.000 3.383 0.000) 3.383 2.963 ( 0.000 2.964 0.000) 2.964 3.213 ( 0.000 4.224 0.000) 4.224 3.491 ( 0.000 -8.019 0.000) 8.019 3.577 ( 0.000 -2.551 0.000) 2.551 3.647 ( 0.000 -6.929 0.000) 6.929 3.827 ( 0.000 -7.957 0.000) 7.957 3.841 ( 0.000 -5.541 0.000) 5.541 3.942 ( 0.000 1.771 0.000) 1.771 3.951 ( 0.000 -7.794 0.000) 7.794 3.993 ( 0.000 2.479 0.000) 2.479 4.283 ( 0.000 -5.056 0.000) 5.056 4.651 ( 0.000 -4.874 0.000) 4.874 4.892 ( 0.000 -1.713 0.000) 1.713 5.137 ( 0.000 -15.265 0.000) 15.265 5.178 ( 0.000 -3.400 0.000) 3.400 5.336 ( 0.000 -2.907 0.000) 2.907 5.360 ( 0.000 11.120 0.000) 11.120 5.389 ( 0.000 -2.530 0.000) 2.530 5.466 ( 0.000 -8.594 0.000) 8.594 5.651 ( 0.000 -2.629 0.000) 2.629 5.662 ( 0.000 -2.629 0.000) 2.629 6.028 ( 0.000 4.964 0.000) 4.964 6.097 ( 0.000 0.051 0.000) 0.051 6.107 ( 0.000 3.563 0.000) 3.563 6.278 ( 0.000 4.821 0.000) 4.821 6.286 ( 0.000 8.226 0.000) 8.226 6.341 ( 0.000 6.157 0.000) 6.157 6.355 ( 0.000 4.097 0.000) 4.097 6.683 ( 0.000 3.430 0.000) 3.430 6.718 ( 0.000 4.033 0.000) 4.033 6.861 ( 0.000 -0.202 0.000) 0.202 7.211 ( 0.000 -4.754 0.000) 4.754 7.382 ( 0.000 -3.798 0.000) 3.798 7.393 ( 0.000 -3.572 0.000) 3.572 7.438 ( 0.000 -9.329 0.000) 9.329 7.749 ( 0.000 -0.813 0.000) 0.813 7.826 ( 0.000 -3.440 0.000) 3.440 7.934 ( 0.000 0.337 0.000) 0.337 8.355 ( 0.000 -1.874 0.000) 1.874 8.650 ( 0.000 5.421 0.000) 5.421 8.725 ( 0.000 0.478 0.000) 0.478 8.803 ( 0.000 0.995 0.000) 0.995 8.821 ( 0.000 -10.575 0.000) 10.575 8.990 ( 0.000 -12.608 0.000) 12.608 9.162 ( 0.000 -2.948 0.000) 2.948 9.319 ( 0.000 3.264 0.000) 3.264 9.363 ( 0.000 -2.117 0.000) 2.117 9.806 ( 0.000 2.319 0.000) 2.319 9.868 ( 0.000 0.625 0.000) 0.625 9.882 ( 0.000 -2.548 0.000) 2.548 10.113 ( 0.000 -6.546 0.000) 6.546 10.146 ( 0.000 -6.468 0.000) 6.468 10.298 ( 0.000 -2.923 0.000) 2.923 10.455 ( 0.000 1.664 0.000) 1.664 10.775 ( 0.000 0.783 0.000) 0.783 11.030 ( 0.000 -7.285 0.000) 7.285 11.055 ( 0.000 -0.257 0.000) 0.257 11.188 ( 0.000 -5.920 0.000) 5.920 11.355 ( 0.000 -9.059 0.000) 9.059 11.522 ( 0.000 6.667 0.000) 6.667 11.614 ( 0.000 7.421 0.000) 7.421 11.761 ( 0.000 -1.432 0.000) 1.432 12.165 ( 0.000 -1.202 0.000) 1.202 12.249 ( 0.000 0.135 0.000) 0.135 12.264 ( 0.000 -0.245 0.000) 0.245 12.562 ( 0.000 6.667 0.000) 6.667 12.662 ( 0.000 -2.362 0.000) 2.362 12.900 ( 0.000 7.238 0.000) 7.238 12.988 ( 0.000 6.890 0.000) 6.890 13.467 ( 0.000 -4.830 0.000) 4.830 13.508 ( 0.000 0.240 0.000) 0.240 13.530 ( 0.000 4.473 0.000) 4.473 13.693 ( 0.000 4.613 0.000) 4.613 14.061 ( 0.000 15.615 0.000) 15.615 14.603 ( 0.000 13.365 0.000) 13.365 15.493 ( 0.000 3.918 0.000) 3.918 15.496 ( 0.000 12.172 0.000) 12.172 15.677 ( 0.000 2.216 0.000) 2.216 15.992 ( 0.000 5.078 0.000) 5.078 16.067 ( 0.000 3.920 0.000) 3.920 16.299 ( 0.000 14.719 0.000) 14.719 17.071 ( 0.000 -10.152 0.000) 10.152 18.230 ( 0.000 -9.056 0.000) 9.056 18.367 ( 0.000 -1.460 0.000) 1.460 18.448 ( 0.000 -20.125 0.000) 20.125 18.609 ( 0.000 -4.246 0.000) 4.246 18.741 ( 0.000 -9.216 0.000) 9.216 18.932 ( 0.000 5.260 0.000) 5.260 19.387 ( 0.000 -2.276 0.000) 2.276 19.449 ( 0.000 -19.067 0.000) 19.067 19.815 ( 0.000 -12.166 0.000) 12.166 22.315 ( 0.000 27.732 0.000) 27.732 23.550 ( 0.000 -0.172 0.000) 0.172 23.891 ( 0.000 -8.175 0.000) 8.175 24.846 ( 0.000 -18.150 0.000) 18.150 24.921 ( 0.000 4.862 0.000) 4.862 25.151 ( 0.000 3.990 0.000) 3.990 25.523 ( 0.000 -3.278 0.000) 3.278 25.844 ( 0.000 -5.014 0.000) 5.014 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.398 ( 9.287 30.335 1.415) 31.756 1.522 ( 17.614 24.960 -3.889) 30.796 2.282 ( 9.006 -4.517 6.214) 11.837 2.431 ( 3.793 5.366 -0.228) 6.575 2.505 ( 11.159 3.667 -2.300) 11.969 2.676 ( 21.497 24.174 -1.497) 32.384 2.790 ( 15.401 -1.334 -4.082) 15.989 2.845 ( 17.875 9.869 -7.092) 21.616 3.036 ( 23.839 1.163 3.849) 24.176 3.204 ( 25.167 0.976 1.344) 25.222 3.304 ( 1.285 -0.474 1.986) 2.413 3.483 ( -1.371 -6.243 -0.389) 6.403 3.516 ( 7.715 4.487 4.093) 9.819 3.614 ( 4.761 -6.341 0.111) 7.930 3.848 ( 6.265 -0.747 1.453) 6.474 3.942 ( 3.317 -5.712 -0.474) 6.622 3.984 ( 8.038 -8.179 -0.577) 11.482 4.048 ( 8.010 -3.144 -1.010) 8.664 4.091 ( 8.335 -5.965 1.366) 10.340 4.285 ( 0.913 -4.344 -0.402) 4.457 4.668 ( 1.180 -5.979 -0.127) 6.096 4.910 ( 6.106 -2.078 6.553) 9.195 5.043 ( -0.545 -6.387 -14.883) 16.204 5.150 ( -5.836 5.969 0.790) 8.385 5.224 ( -3.091 1.571 -1.048) 3.622 5.388 ( -3.304 -2.050 -2.138) 4.437 5.474 ( 5.032 -2.277 -9.640) 11.111 5.538 ( 6.843 -2.340 1.245) 7.339 5.706 ( 4.150 -0.627 -1.084) 4.335 5.915 ( 8.042 2.427 7.301) 11.130 6.025 ( -3.196 4.379 -3.083) 6.237 6.095 ( 1.387 -1.148 -0.682) 1.926 6.111 ( -0.736 2.440 3.521) 4.347 6.210 ( -0.034 4.544 3.318) 5.627 6.345 ( 1.653 2.635 2.972) 4.302 6.435 ( 5.911 3.150 0.938) 6.763 6.655 ( 0.601 -3.023 -1.437) 3.400 6.712 ( 1.359 2.814 4.200) 5.235 6.831 ( -0.399 1.677 -1.001) 1.993 6.895 ( 11.654 -11.676 -3.609) 16.887 7.097 ( -7.261 -1.117 2.718) 7.833 7.287 ( -8.829 -2.317 0.947) 9.177 7.553 ( 8.538 -1.139 -1.179) 8.694 7.635 ( 14.389 -5.995 5.654) 16.582 7.685 ( -2.393 -3.265 1.610) 4.356 7.883 ( 3.545 -4.079 0.837) 5.468 7.978 ( 4.982 0.063 -9.503) 10.730 8.280 ( -1.565 -7.044 1.496) 7.369 8.428 ( -14.784 -2.005 2.316) 15.098 8.481 ( -12.016 4.896 4.083) 13.603 8.660 ( -9.840 -1.993 -3.778) 10.727 8.898 ( 2.879 -4.111 1.300) 5.184 9.035 ( -1.994 -11.389 0.529) 11.575 9.274 ( -0.535 -7.180 1.664) 7.389 9.367 ( 5.291 0.731 -0.777) 5.397 9.573 ( 13.055 -1.809 -3.312) 13.589 9.717 ( -6.431 1.820 -3.033) 7.340 9.916 ( 3.587 4.105 1.800) 5.741 9.956 ( 7.620 -6.941 -1.226) 10.380 10.168 ( 4.301 -9.023 1.585) 10.121 10.291 ( 5.315 -3.982 1.428) 6.793 10.305 ( 1.942 0.338 -0.421) 2.016 10.496 ( 7.226 -1.190 -3.118) 7.960 10.758 ( -0.962 -0.361 -1.001) 1.435 10.995 ( -4.747 -1.882 3.799) 6.365 11.043 ( 2.494 -7.406 0.337) 7.822 11.281 ( 6.236 -7.090 -1.750) 9.603 11.321 ( -2.452 -6.060 -6.239) 9.037 11.539 ( 1.749 2.161 3.577) 4.530 11.590 ( -1.517 5.472 -3.261) 6.548 11.761 ( 0.628 1.694 5.497) 5.787 12.058 ( -12.098 1.447 5.950) 13.560 12.175 ( 0.672 -0.117 -3.002) 3.079 12.250 ( -5.045 -2.124 -0.600) 5.506 12.534 ( -2.463 6.287 1.843) 6.999 12.575 ( -7.350 -1.853 -1.148) 7.666 12.904 ( 0.952 6.319 0.414) 6.404 13.031 ( 1.780 5.493 -0.100) 5.775 13.285 ( -12.943 -2.311 1.434) 13.225 13.381 ( -10.012 1.190 0.922) 10.124 13.497 ( -4.514 4.510 -0.963) 6.453 13.648 ( -6.244 4.831 -7.324) 10.769 13.876 ( -9.000 16.618 -4.856) 19.513 14.344 ( -11.286 18.519 12.004) 24.788 15.533 ( 2.934 12.882 2.436) 13.435 15.787 ( 11.860 9.933 -2.326) 15.644 16.116 ( 37.315 3.886 -4.319) 37.764 16.235 ( 25.682 6.625 1.983) 26.597 16.390 ( 24.961 11.826 -7.152) 28.532 16.974 ( 18.466 -13.623 0.816) 22.962 17.251 ( 38.087 -16.504 8.280) 42.327 18.206 ( -1.912 -11.168 2.529) 11.609 18.360 ( -1.348 -2.288 -2.627) 3.735 18.429 ( -0.686 -16.879 -0.757) 16.909 18.626 ( 0.399 -4.340 -6.668) 7.966 18.757 ( 1.770 -9.447 6.338) 11.513 18.912 ( -2.109 3.816 -0.119) 4.362 19.366 ( -2.190 -6.872 0.582) 7.236 19.428 ( -1.290 -13.557 -2.601) 13.865 19.787 ( -2.343 -11.147 1.411) 11.477 22.568 ( 21.851 22.831 -0.209) 31.604 23.741 ( 16.965 -8.212 -3.446) 19.160 23.995 ( 9.819 -7.503 -0.974) 12.395 24.841 ( -3.144 -5.022 2.131) 6.297 24.895 ( 0.212 -6.959 0.226) 6.966 25.133 ( -2.189 4.074 0.319) 4.636 25.464 ( -6.027 -3.292 -2.228) 7.220 25.843 ( -1.322 -5.197 1.320) 5.523 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.715 ( 17.183 21.241 2.585) 27.443 1.992 ( 23.235 16.070 -4.116) 28.549 2.309 ( -8.078 9.956 -1.782) 12.944 2.444 ( 5.338 -2.006 3.507) 6.694 2.633 ( -0.441 2.644 1.127) 2.908 2.859 ( 0.514 -4.842 -0.218) 4.874 2.998 ( -7.136 -2.015 1.154) 7.504 3.052 ( 0.222 -3.710 -4.239) 5.638 3.296 ( 4.693 -3.581 -2.875) 6.566 3.362 ( 0.927 -7.821 2.147) 8.163 3.518 ( 8.518 8.902 -2.079) 12.494 3.657 ( 22.599 23.318 -2.260) 32.550 3.764 ( 7.926 7.197 3.231) 11.183 3.928 ( 7.567 2.832 -1.617) 8.239 3.990 ( 3.899 -14.377 1.046) 14.933 4.046 ( 4.310 -12.253 0.900) 13.020 4.216 ( 3.006 -1.136 -0.302) 3.227 4.401 ( 13.037 -8.000 5.468) 16.244 4.545 ( 28.053 -4.830 2.242) 28.554 4.628 ( 37.737 -6.313 -4.498) 38.525 4.690 ( 8.167 -4.860 -2.312) 9.781 4.929 ( -9.552 7.037 2.392) 12.103 5.036 ( 1.335 -2.478 -0.729) 2.907 5.171 ( -0.121 2.039 -1.084) 2.312 5.301 ( 18.641 0.243 -1.256) 18.684 5.355 ( 2.670 -1.633 3.460) 4.666 5.595 ( 4.968 -0.914 -7.036) 8.661 5.674 ( 2.894 -1.210 0.770) 3.230 5.809 ( 4.712 2.957 -2.360) 6.043 5.909 ( -0.687 5.157 -6.502) 8.327 5.956 ( -4.504 3.065 6.072) 8.158 6.007 ( -7.170 3.519 -2.975) 8.523 6.173 ( 2.188 -1.893 1.627) 3.319 6.324 ( 5.291 2.967 1.239) 6.191 6.372 ( -0.165 -1.576 0.195) 1.596 6.472 ( -0.320 4.000 1.046) 4.147 6.553 ( -7.935 -2.721 3.041) 8.923 6.757 ( 3.365 1.862 3.169) 4.983 6.863 ( 5.824 -2.057 3.383) 7.042 6.904 ( -4.426 -6.742 -1.681) 8.238 7.031 ( -5.572 0.071 1.565) 5.788 7.164 ( 5.613 -1.931 -3.288) 6.785 7.577 ( 0.301 -2.140 -0.981) 2.373 7.723 ( 1.964 -0.245 -3.930) 4.400 7.750 ( -4.557 -2.789 -1.422) 5.529 7.855 ( -4.721 -0.253 0.474) 4.751 8.032 ( -6.697 3.278 0.576) 7.478 8.053 ( -9.898 -4.979 -1.963) 11.252 8.233 ( -9.027 -2.383 6.683) 11.482 8.347 ( 1.070 2.978 4.721) 5.684 8.633 ( 4.385 1.120 -3.328) 5.618 8.886 ( -2.885 0.999 6.243) 6.949 8.956 ( -5.255 -2.990 -3.094) 6.792 9.172 ( -5.449 -10.164 1.267) 11.602 9.362 ( -3.223 -9.362 -2.973) 10.338 9.660 ( -0.826 3.943 -1.128) 4.184 9.710 ( -3.736 -6.878 -4.950) 9.261 10.018 ( 2.641 2.741 2.425) 4.513 10.052 ( 7.149 -3.390 -0.799) 7.952 10.247 ( -0.297 -0.389 -1.394) 1.477 10.306 ( -0.561 -0.032 0.570) 0.801 10.329 ( 3.106 -8.733 4.098) 10.135 10.684 ( 1.573 -4.022 -4.807) 6.462 10.828 ( 7.982 -3.866 3.017) 9.369 10.895 ( -0.786 -1.929 0.060) 2.084 11.201 ( 8.714 -6.272 -0.304) 10.741 11.251 ( -2.299 -3.188 -1.045) 4.067 11.375 ( 0.682 -2.472 -2.866) 3.846 11.569 ( -0.168 0.953 -2.697) 2.865 11.606 ( 4.888 -6.168 -1.030) 7.937 11.781 ( -11.272 1.269 6.226) 12.939 11.810 ( 2.635 6.451 2.486) 7.399 12.108 ( -5.364 -4.979 -2.589) 7.763 12.215 ( 1.722 0.678 2.869) 3.414 12.388 ( -7.980 1.134 0.554) 8.079 12.457 ( -3.506 1.375 4.341) 5.747 12.845 ( -13.980 5.567 -5.183) 15.915 12.933 ( -6.390 3.131 -1.131) 7.205 13.081 ( -1.623 4.539 -1.496) 5.047 13.253 ( 1.115 3.176 5.094) 6.106 13.388 ( -4.592 4.321 -1.599) 6.505 13.505 ( -6.017 6.684 -3.259) 9.565 13.740 ( -4.637 12.777 -2.509) 13.822 14.196 ( -3.780 15.150 5.311) 16.493 15.604 ( 3.318 15.230 2.698) 15.819 15.853 ( -1.256 14.974 -4.267) 15.620 16.758 ( 17.656 3.806 -2.092) 18.182 16.944 ( 18.641 0.938 3.302) 18.954 17.135 ( 30.504 4.325 2.006) 30.874 17.218 ( 33.996 0.924 -0.536) 34.013 18.003 ( 7.898 -4.814 0.517) 9.263 18.218 ( 8.535 -20.517 3.455) 22.488 18.314 ( 0.324 -4.680 -2.143) 5.158 18.441 ( 1.023 -11.348 -3.024) 11.789 18.540 ( -8.060 -5.744 -5.327) 11.240 18.822 ( -0.686 -0.164 5.604) 5.648 18.878 ( 4.471 -8.914 2.257) 10.224 19.263 ( -7.106 -14.847 -1.727) 16.550 19.434 ( 1.484 -5.413 -2.326) 6.076 19.730 ( -2.448 -7.513 1.746) 8.092 23.202 ( 35.367 17.016 0.952) 39.259 24.208 ( 23.487 -12.155 -2.020) 26.523 24.315 ( 18.788 -5.211 -3.401) 19.791 24.608 ( -17.812 5.759 1.142) 18.754 24.981 ( -1.953 -2.856 2.515) 4.278 25.065 ( 4.343 -9.179 1.739) 10.303 25.237 ( -15.141 -3.371 -3.970) 16.012 25.726 ( -10.235 -6.625 1.139) 12.244 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.054 ( -0.000 14.304 -0.000) 14.304 2.065 ( 0.000 15.042 0.000) 15.042 2.465 ( -0.000 6.416 0.000) 6.416 2.535 ( -0.000 0.118 0.000) 0.118 2.554 ( 0.000 8.427 -0.000) 8.427 2.591 ( 0.000 1.350 -0.000) 1.350 2.976 ( 0.000 -8.088 -0.000) 8.088 3.108 ( -0.000 -8.422 -0.000) 8.422 3.308 ( 0.000 -4.064 -0.000) 4.064 3.336 ( -0.000 -6.493 0.000) 6.493 3.650 ( -0.000 7.192 0.000) 7.192 3.718 ( 0.000 8.212 -0.000) 8.212 3.970 ( -0.000 -3.361 0.000) 3.361 4.017 ( -0.000 -12.397 -0.000) 12.397 4.094 ( -0.000 -10.367 0.000) 10.367 4.100 ( -0.000 0.944 -0.000) 0.944 4.403 ( -0.000 15.033 -0.000) 15.033 4.408 ( 0.000 6.911 0.000) 6.911 4.668 ( -0.000 -0.065 0.000) 0.065 4.744 ( 0.000 -6.129 -0.000) 6.129 5.049 ( 0.000 -5.260 -0.000) 5.260 5.077 ( 0.000 -5.459 0.000) 5.459 5.140 ( -0.000 -1.360 -0.000) 1.360 5.171 ( -0.000 -2.756 0.000) 2.756 5.425 ( -0.000 1.472 0.000) 1.472 5.515 ( 0.000 -0.330 0.000) 0.330 5.693 ( -0.000 6.245 -0.000) 6.245 5.773 ( 0.000 1.762 -0.000) 1.762 5.787 ( -0.000 -2.005 0.000) 2.005 5.811 ( -0.000 3.095 0.000) 3.095 5.886 ( -0.000 5.545 0.000) 5.545 5.974 ( 0.000 0.569 0.000) 0.569 6.220 ( 0.000 -4.149 0.000) 4.149 6.259 ( -0.000 -0.032 0.000) 0.032 6.417 ( 0.000 -4.682 -0.000) 4.682 6.481 ( -0.000 10.274 0.000) 10.274 6.565 ( 0.000 -6.787 0.000) 6.787 6.689 ( -0.000 7.596 -0.000) 7.596 6.867 ( -0.000 -5.237 -0.000) 5.237 6.870 ( 0.000 2.239 -0.000) 2.239 7.156 ( 0.000 -8.318 0.000) 8.318 7.321 ( 0.000 -4.932 -0.000) 4.932 7.469 ( -0.000 -4.662 -0.000) 4.662 7.596 ( -0.000 -3.204 0.000) 3.204 7.770 ( 0.000 -1.914 -0.000) 1.914 7.834 ( 0.000 -1.598 0.000) 1.598 7.838 ( -0.000 2.596 -0.000) 2.596 7.983 ( -0.000 5.167 0.000) 5.167 8.091 ( 0.000 0.305 0.000) 0.305 8.502 ( 0.000 9.855 0.000) 9.855 8.604 ( -0.000 2.572 -0.000) 2.572 8.776 ( -0.000 6.861 0.000) 6.861 8.936 ( -0.000 -2.820 -0.000) 2.820 9.102 ( 0.000 -9.547 -0.000) 9.547 9.324 ( 0.000 -10.091 0.000) 10.091 9.612 ( 0.000 1.456 -0.000) 1.456 9.625 ( 0.000 -10.683 0.000) 10.683 10.046 ( 0.000 0.632 -0.000) 0.632 10.212 ( 0.000 6.015 0.000) 6.015 10.232 ( -0.000 -6.417 0.000) 6.417 10.269 ( 0.000 -1.758 0.000) 1.758 10.371 ( 0.000 -7.209 -0.000) 7.209 10.693 ( 0.000 -4.827 0.000) 4.827 10.812 ( -0.000 -5.848 -0.000) 5.848 11.052 ( 0.000 -3.170 0.000) 3.170 11.175 ( -0.000 0.592 0.000) 0.592 11.331 ( -0.000 -0.693 -0.000) 0.693 11.345 ( 0.000 -2.235 0.000) 2.235 11.539 ( 0.000 3.709 0.000) 3.709 11.672 ( -0.000 -3.357 -0.000) 3.357 11.719 ( 0.000 -11.310 0.000) 11.310 11.824 ( -0.000 8.385 -0.000) 8.385 12.074 ( 0.000 -9.532 -0.000) 9.532 12.165 ( 0.000 -2.928 0.000) 2.928 12.336 ( 0.000 10.931 0.000) 10.931 12.476 ( -0.000 -5.492 -0.000) 5.492 12.571 ( 0.000 7.257 0.000) 7.257 12.834 ( -0.000 5.239 0.000) 5.239 13.121 ( 0.000 5.056 0.000) 5.056 13.257 ( -0.000 1.461 -0.000) 1.461 13.374 ( -0.000 4.369 -0.000) 4.369 13.401 ( 0.000 7.446 0.000) 7.446 13.684 ( -0.000 12.266 -0.000) 12.266 14.156 ( -0.000 14.037 0.000) 14.037 15.650 ( 0.000 17.311 0.000) 17.311 15.826 ( -0.000 14.067 0.000) 14.067 16.935 ( -0.000 -1.665 0.000) 1.665 17.055 ( 0.000 1.955 -0.000) 1.955 17.598 ( -0.000 4.626 -0.000) 4.626 17.884 ( 0.000 1.782 0.000) 1.782 17.997 ( -0.000 1.021 -0.000) 1.021 18.058 ( 0.000 2.993 0.000) 2.993 18.270 ( 0.000 -12.883 0.000) 12.883 18.482 ( 0.000 -15.133 0.000) 15.133 18.556 ( -0.000 -8.370 0.000) 8.370 18.772 ( 0.000 -2.301 -0.000) 2.301 19.033 ( 0.000 -13.382 -0.000) 13.382 19.105 ( -0.000 -11.667 -0.000) 11.667 19.456 ( 0.000 -7.663 -0.000) 7.663 19.700 ( 0.000 -4.175 0.000) 4.175 23.935 ( -0.000 11.194 -0.000) 11.194 24.062 ( 0.000 10.488 0.000) 10.488 24.638 ( -0.000 -5.248 0.000) 5.248 24.688 ( 0.000 -5.140 -0.000) 5.140 24.803 ( 0.000 -2.349 -0.000) 2.349 24.884 ( 0.000 -4.007 0.000) 4.007 25.303 ( 0.000 -10.431 -0.000) 10.431 25.478 ( -0.000 -10.891 0.000) 10.891 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.825 ( 0.000 23.442 0.000) 23.442 2.022 ( 0.000 24.814 0.000) 24.814 2.128 ( 0.000 1.125 0.000) 1.125 2.258 ( 0.000 7.268 0.000) 7.268 2.313 ( 0.000 -1.329 0.000) 1.329 2.423 ( 0.000 4.179 0.000) 4.179 2.699 ( 0.000 8.763 0.000) 8.763 2.926 ( 0.000 -5.179 0.000) 5.179 3.023 ( 0.000 3.266 0.000) 3.266 3.055 ( 0.000 -8.365 0.000) 8.365 3.246 ( 0.000 27.969 0.000) 27.969 3.465 ( 0.000 -8.604 0.000) 8.604 3.532 ( 0.000 6.267 0.000) 6.267 3.546 ( 0.000 -0.524 0.000) 0.524 3.684 ( 0.000 -6.993 0.000) 6.993 3.719 ( 0.000 -2.142 0.000) 2.142 3.805 ( 0.000 -5.654 0.000) 5.654 3.921 ( 0.000 -5.715 0.000) 5.715 3.971 ( 0.000 -0.600 0.000) 0.600 4.125 ( 0.000 -9.831 0.000) 9.831 4.667 ( 0.000 5.542 0.000) 5.542 4.759 ( 0.000 -21.460 0.000) 21.460 4.875 ( 0.000 -1.690 0.000) 1.690 5.064 ( 0.000 -7.798 0.000) 7.798 5.283 ( 0.000 -4.043 0.000) 4.043 5.313 ( 0.000 -2.779 0.000) 2.779 5.364 ( 0.000 3.009 0.000) 3.009 5.527 ( 0.000 -1.166 0.000) 1.166 5.689 ( 0.000 6.686 0.000) 6.686 5.741 ( 0.000 10.880 0.000) 10.880 6.061 ( 0.000 -0.664 0.000) 0.664 6.080 ( 0.000 -1.508 0.000) 1.508 6.224 ( 0.000 6.915 0.000) 6.915 6.357 ( 0.000 2.843 0.000) 2.843 6.397 ( 0.000 4.434 0.000) 4.434 6.429 ( 0.000 3.379 0.000) 3.379 6.522 ( 0.000 10.171 0.000) 10.171 6.730 ( 0.000 1.001 0.000) 1.001 6.780 ( 0.000 1.563 0.000) 1.563 6.859 ( 0.000 -0.327 0.000) 0.327 7.082 ( 0.000 -6.666 0.000) 6.666 7.234 ( 0.000 -10.144 0.000) 10.144 7.312 ( 0.000 -4.252 0.000) 4.252 7.314 ( 0.000 -3.536 0.000) 3.536 7.778 ( 0.000 4.152 0.000) 4.152 7.806 ( 0.000 0.643 0.000) 0.643 7.922 ( 0.000 -1.656 0.000) 1.656 8.326 ( 0.000 -0.716 0.000) 0.716 8.516 ( 0.000 -17.990 0.000) 17.990 8.596 ( 0.000 -10.243 0.000) 10.243 8.762 ( 0.000 5.287 0.000) 5.287 8.839 ( 0.000 1.434 0.000) 1.434 8.912 ( 0.000 2.544 0.000) 2.544 9.109 ( 0.000 -2.560 0.000) 2.560 9.333 ( 0.000 -0.573 0.000) 0.573 9.374 ( 0.000 1.991 0.000) 1.991 9.759 ( 0.000 -7.315 0.000) 7.315 9.829 ( 0.000 -4.144 0.000) 4.144 9.871 ( 0.000 3.208 0.000) 3.208 10.053 ( 0.000 0.714 0.000) 0.714 10.090 ( 0.000 -1.113 0.000) 1.113 10.217 ( 0.000 -4.759 0.000) 4.759 10.509 ( 0.000 3.777 0.000) 3.777 10.809 ( 0.000 2.602 0.000) 2.602 10.879 ( 0.000 -7.746 0.000) 7.746 11.053 ( 0.000 -0.091 0.000) 0.091 11.094 ( 0.000 -3.383 0.000) 3.383 11.168 ( 0.000 -9.111 0.000) 9.111 11.600 ( 0.000 2.367 0.000) 2.367 11.721 ( 0.000 -2.282 0.000) 2.282 11.772 ( 0.000 7.741 0.000) 7.741 12.121 ( 0.000 -3.368 0.000) 3.368 12.260 ( 0.000 -0.156 0.000) 0.156 12.266 ( 0.000 0.805 0.000) 0.805 12.669 ( 0.000 2.981 0.000) 2.981 12.701 ( 0.000 7.163 0.000) 7.163 13.062 ( 0.000 7.067 0.000) 7.067 13.083 ( 0.000 2.303 0.000) 2.303 13.334 ( 0.000 -6.177 0.000) 6.177 13.484 ( 0.000 -2.260 0.000) 2.260 13.647 ( 0.000 5.915 0.000) 5.915 13.769 ( 0.000 2.696 0.000) 2.696 14.383 ( 0.000 16.154 0.000) 16.154 14.821 ( 0.000 7.251 0.000) 7.251 15.569 ( 0.000 3.529 0.000) 3.529 15.690 ( 0.000 1.624 0.000) 1.624 15.786 ( 0.000 13.877 0.000) 13.877 16.035 ( 0.000 1.000 0.000) 1.000 16.127 ( 0.000 1.372 0.000) 1.372 16.717 ( 0.000 25.067 0.000) 25.067 16.796 ( 0.000 -16.959 0.000) 16.959 17.936 ( 0.000 -15.125 0.000) 15.125 18.273 ( 0.000 -1.944 0.000) 1.944 18.323 ( 0.000 -2.737 0.000) 2.737 18.523 ( 0.000 -3.597 0.000) 3.597 18.594 ( 0.000 -5.370 0.000) 5.370 18.999 ( 0.000 -10.772 0.000) 10.772 19.119 ( 0.000 -0.996 0.000) 0.996 19.219 ( 0.000 -14.848 0.000) 14.848 19.590 ( 0.000 -9.235 0.000) 9.235 22.853 ( 0.000 25.754 0.000) 25.754 23.571 ( 0.000 2.797 0.000) 2.797 23.718 ( 0.000 -8.886 0.000) 8.886 24.458 ( 0.000 -20.575 0.000) 20.575 25.035 ( 0.000 6.496 0.000) 6.496 25.257 ( 0.000 6.623 0.000) 6.623 25.439 ( 0.000 -5.242 0.000) 5.242 25.723 ( 0.000 -7.009 0.000) 7.009 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.972 ( 12.352 19.145 -2.096) 22.880 2.005 ( 5.383 28.992 4.441) 29.820 2.284 ( 13.002 5.916 2.010) 14.425 2.554 ( 9.907 6.115 -0.192) 11.644 2.603 ( 9.071 6.039 -3.056) 11.318 2.737 ( 12.793 1.142 -2.799) 13.145 2.808 ( 8.696 3.062 1.333) 9.315 2.963 ( 5.888 -9.751 5.081) 12.473 3.145 ( 7.632 -2.344 -4.579) 9.204 3.227 ( 26.455 -0.023 2.688) 26.591 3.302 ( 11.879 4.704 0.350) 12.781 3.383 ( 0.023 -4.574 -0.373) 4.590 3.605 ( 5.745 -1.207 2.511) 6.385 3.677 ( 8.297 5.633 -2.178) 10.263 3.702 ( 3.379 -11.170 2.390) 11.912 3.864 ( 13.647 2.911 -0.637) 13.969 3.903 ( 7.236 0.312 -0.079) 7.243 3.963 ( 5.458 -0.896 -2.274) 5.980 3.982 ( 7.375 -2.181 -0.910) 7.745 4.159 ( 2.916 -6.996 0.391) 7.590 4.616 ( -4.005 -0.910 -0.361) 4.123 4.827 ( 11.315 -6.347 2.835) 13.279 4.895 ( -0.755 -6.717 -6.459) 9.349 5.122 ( 4.624 -6.584 -2.822) 8.526 5.274 ( 1.387 3.587 5.746) 6.914 5.406 ( 1.855 -0.207 -4.447) 4.823 5.457 ( 4.823 1.361 -8.122) 9.543 5.573 ( 3.716 2.781 -2.630) 5.334 5.720 ( 2.428 4.884 4.353) 6.978 5.910 ( 9.285 -0.681 4.829) 10.488 6.048 ( -2.839 -2.392 0.116) 3.714 6.083 ( 2.977 -0.306 2.496) 3.897 6.202 ( -2.477 6.137 0.652) 6.650 6.311 ( -3.668 4.339 1.814) 5.964 6.377 ( 1.535 1.706 3.019) 3.793 6.482 ( 0.146 2.324 0.194) 2.337 6.617 ( 2.927 0.840 0.438) 3.077 6.753 ( -1.129 0.436 1.646) 2.043 6.820 ( 3.670 -0.273 -2.697) 4.562 6.859 ( 0.972 0.646 -3.470) 3.661 7.077 ( -3.730 -0.484 3.533) 5.160 7.220 ( -6.428 -3.743 -0.008) 7.439 7.493 ( 22.857 -5.286 3.138) 23.669 7.524 ( 16.764 -4.169 -1.128) 17.312 7.680 ( -6.566 3.122 2.141) 7.579 7.829 ( 0.889 -0.816 1.564) 1.975 8.003 ( 6.635 1.558 -4.886) 8.386 8.176 ( -10.544 -3.582 -1.347) 11.217 8.359 ( -14.085 -4.750 -0.577) 14.875 8.516 ( -4.919 -6.428 2.634) 8.512 8.619 ( -8.376 -0.026 -1.489) 8.507 8.686 ( -3.316 -9.197 -0.799) 9.809 8.947 ( -2.805 -0.343 5.049) 5.786 9.133 ( -2.015 -6.176 3.528) 7.393 9.451 ( 2.511 5.423 -2.931) 6.656 9.545 ( 12.246 -0.651 -4.228) 12.972 9.777 ( -4.559 3.672 -4.483) 7.373 9.845 ( 7.387 -4.492 -0.551) 8.663 9.953 ( 7.890 -1.944 -4.245) 9.168 10.010 ( -0.755 -5.440 1.912) 5.815 10.245 ( 9.582 -0.617 5.003) 10.827 10.292 ( 4.535 -1.342 2.932) 5.565 10.519 ( 2.757 3.034 -2.958) 5.055 10.766 ( -2.238 1.048 -0.837) 2.609 10.880 ( -0.160 -7.078 -0.883) 7.135 10.973 ( -6.073 -2.637 3.720) 7.594 11.147 ( 4.056 -5.145 -0.651) 6.584 11.201 ( 3.793 -5.453 -6.029) 8.970 11.561 ( -3.005 0.990 1.338) 3.435 11.643 ( -5.125 -0.573 1.315) 5.322 11.816 ( 2.422 4.406 1.148) 5.158 12.095 ( -6.095 0.020 7.168) 9.409 12.144 ( -4.375 -1.104 -6.048) 7.546 12.224 ( -5.186 -1.057 4.659) 7.051 12.580 ( -6.930 2.566 -0.481) 7.406 12.669 ( -4.613 5.975 -1.952) 7.797 13.036 ( -0.987 4.965 1.474) 5.272 13.107 ( -0.233 2.431 -1.914) 3.102 13.225 ( -6.811 -2.009 4.398) 8.353 13.382 ( -8.083 -1.075 -2.119) 8.425 13.593 ( -4.557 5.064 -1.598) 6.998 13.717 ( -4.667 2.234 -4.445) 6.821 14.200 ( -10.478 15.655 -1.665) 18.911 14.620 ( -11.906 8.225 5.138) 15.356 15.820 ( 4.332 15.559 1.179) 16.194 15.979 ( 24.414 9.003 2.237) 26.117 16.190 ( 36.462 2.866 -4.381) 36.836 16.331 ( 28.112 3.968 0.277) 28.392 16.626 ( 25.151 -0.482 -11.315) 27.583 16.817 ( 9.307 6.556 -1.205) 11.447 16.981 ( 28.841 -10.608 14.173) 33.841 17.908 ( -1.307 -13.784 -0.443) 13.852 18.255 ( -1.608 -2.930 3.015) 4.501 18.319 ( -0.898 -2.863 -2.190) 3.714 18.544 ( 0.789 -3.470 -6.657) 7.548 18.588 ( 0.277 -6.773 5.764) 8.898 18.974 ( -2.352 -9.702 -0.684) 10.007 19.089 ( -3.030 -1.154 1.005) 3.394 19.217 ( 0.118 -14.559 -1.153) 14.605 19.582 ( -0.512 -8.631 0.515) 8.661 23.035 ( 17.030 23.322 -1.231) 28.904 23.668 ( 10.031 0.241 -2.804) 10.418 23.834 ( 11.121 -8.306 0.790) 13.904 24.496 ( 4.284 -19.791 1.471) 20.303 24.984 ( -5.375 6.442 0.769) 8.425 25.244 ( -2.287 6.864 -0.088) 7.236 25.380 ( -5.966 -5.147 -1.458) 8.013 25.719 ( -1.714 -7.153 0.729) 7.391 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.191 ( 10.359 25.564 7.989) 28.716 2.284 ( 14.511 10.900 -1.542) 18.214 2.516 ( 8.331 11.315 -2.918) 14.351 2.564 ( -3.932 14.388 -4.863) 15.689 2.712 ( -0.107 4.775 3.929) 6.185 2.797 ( -1.635 -0.926 -0.619) 1.979 2.909 ( 1.868 -3.346 -2.933) 4.825 2.994 ( -3.756 -6.221 2.112) 7.567 3.195 ( 1.201 -4.823 -1.591) 5.219 3.222 ( -2.787 -2.986 0.534) 4.119 3.634 ( 3.798 -16.479 -0.777) 16.928 3.682 ( 5.170 -1.667 -0.924) 5.510 3.710 ( 1.606 -7.930 1.201) 8.180 3.858 ( 1.625 -0.915 5.472) 5.781 3.933 ( 4.662 -4.545 -3.142) 7.230 4.034 ( 2.002 -4.958 -0.393) 5.361 4.244 ( 22.165 -7.735 4.989) 24.001 4.346 ( 29.327 23.062 -4.647) 37.597 4.438 ( 13.330 -1.946 1.262) 13.531 4.486 ( 27.395 -6.821 -4.951) 28.662 4.644 ( 21.379 -1.700 -1.611) 21.507 4.906 ( 7.092 0.043 1.574) 7.265 5.156 ( 2.526 3.240 -1.115) 4.257 5.274 ( 1.976 5.255 0.479) 5.635 5.292 ( 15.083 1.180 5.034) 15.945 5.372 ( 0.457 4.392 -2.109) 4.893 5.581 ( 6.781 -0.253 -6.109) 9.131 5.651 ( 2.014 -0.729 1.210) 2.460 5.843 ( 6.014 0.372 0.672) 6.063 5.926 ( -5.656 0.117 0.051) 5.657 6.030 ( 0.248 -0.201 -0.299) 0.437 6.098 ( -3.916 4.592 -3.002) 6.741 6.150 ( -0.502 1.347 2.655) 3.019 6.299 ( 0.167 -3.903 1.601) 4.222 6.365 ( -7.596 -0.574 -1.859) 7.841 6.373 ( -3.721 -7.499 2.877) 8.852 6.612 ( -0.497 4.107 2.952) 5.082 6.764 ( 6.538 -0.495 2.571) 7.042 6.830 ( -1.874 -0.475 -1.908) 2.716 6.903 ( 1.674 4.788 -0.453) 5.093 7.060 ( -4.170 2.255 4.572) 6.586 7.135 ( 5.971 -1.155 -3.746) 7.142 7.532 ( -6.563 -2.130 0.414) 6.912 7.647 ( -9.555 -4.495 -2.378) 10.824 7.778 ( 0.307 1.401 -1.350) 1.970 7.865 ( 3.402 1.764 -1.189) 4.012 7.930 ( -11.030 -4.502 -0.213) 11.916 8.131 ( 2.383 4.798 -1.098) 5.468 8.181 ( -6.623 -2.224 5.875) 9.129 8.417 ( 5.585 3.725 3.479) 7.561 8.617 ( 12.500 -3.730 0.564) 13.057 8.776 ( -0.879 -9.755 -1.969) 9.991 8.862 ( 2.704 -5.101 1.865) 6.067 9.022 ( -6.385 -6.759 5.097) 10.604 9.305 ( -12.441 4.079 -6.252) 14.508 9.589 ( -7.980 -5.003 -4.106) 10.275 9.752 ( -2.737 4.672 -2.642) 6.025 9.943 ( 0.364 -3.828 -2.686) 4.690 10.082 ( 8.560 0.330 1.467) 8.691 10.170 ( 8.859 -5.235 1.053) 10.344 10.281 ( -1.846 1.477 3.053) 3.861 10.323 ( -1.158 0.837 1.272) 1.913 10.640 ( -0.023 -0.525 -3.287) 3.328 10.748 ( -1.758 -3.544 4.285) 5.832 10.870 ( 6.703 -0.687 -2.897) 7.334 11.069 ( 13.779 -7.029 1.219) 15.516 11.196 ( 0.670 -1.671 -1.893) 2.612 11.310 ( 3.766 -3.903 -5.276) 7.567 11.508 ( -1.293 -2.591 -0.741) 2.989 11.551 ( -1.865 -2.364 2.538) 3.938 11.791 ( -8.486 1.489 -0.271) 8.620 11.942 ( -1.521 4.756 8.239) 9.634 12.021 ( -7.546 -3.905 -3.378) 9.144 12.162 ( -1.360 -3.797 4.705) 6.197 12.425 ( -5.360 1.450 -0.652) 5.591 12.496 ( -9.285 1.243 0.686) 9.393 12.938 ( -9.034 4.880 -0.229) 10.270 13.029 ( -5.584 4.585 -4.674) 8.606 13.159 ( 0.570 3.464 -0.292) 3.523 13.286 ( 0.818 0.429 4.526) 4.619 13.481 ( -4.559 4.793 -2.115) 6.945 13.598 ( -5.612 2.677 -3.827) 7.301 14.021 ( -5.889 14.618 -0.810) 15.780 14.432 ( -5.488 7.207 3.239) 9.620 15.935 ( 5.878 17.517 1.793) 18.563 16.191 ( -0.273 18.288 -2.239) 18.426 16.763 ( 10.760 -4.617 0.099) 11.709 16.935 ( 12.862 -2.284 0.357) 13.068 17.217 ( 35.447 3.336 1.356) 35.630 17.332 ( 38.533 11.705 -3.131) 40.393 17.749 ( 24.488 -20.131 4.792) 32.061 17.975 ( 8.656 -1.348 -0.762) 8.794 18.217 ( 0.496 -6.056 2.870) 6.720 18.268 ( -3.747 -4.701 -3.861) 7.145 18.477 ( -6.843 -2.184 -3.874) 8.161 18.661 ( 5.455 -9.145 3.533) 11.219 18.897 ( -4.617 -4.707 -0.247) 6.598 18.983 ( -6.545 -3.441 0.192) 7.397 19.230 ( 1.014 -13.963 -0.654) 14.015 19.573 ( -0.506 -8.487 0.283) 8.507 23.564 ( 29.910 19.001 -0.027) 35.435 24.045 ( 24.430 -4.275 -2.475) 24.925 24.201 ( 21.693 -6.032 -0.131) 22.517 24.667 ( 5.453 -10.632 1.641) 12.061 24.781 ( -7.280 0.336 0.333) 7.295 25.093 ( -12.796 5.068 2.214) 13.940 25.155 ( -15.031 -4.582 -3.508) 16.101 25.575 ( -12.763 -8.336 0.675) 15.260 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.394 ( -0.000 19.041 -0.000) 19.041 2.422 ( 0.000 20.399 0.000) 20.399 2.524 ( -0.000 3.211 -0.000) 3.211 2.650 ( 0.000 3.710 0.000) 3.710 2.685 ( -0.000 10.961 0.000) 10.961 2.707 ( 0.000 6.533 -0.000) 6.533 2.865 ( -0.000 -2.959 -0.000) 2.959 2.971 ( -0.000 -5.451 0.000) 5.451 3.208 ( 0.000 -3.961 -0.000) 3.961 3.211 ( 0.000 -5.029 0.000) 5.029 3.684 ( -0.000 -17.789 0.000) 17.789 3.686 ( 0.000 -17.258 -0.000) 17.258 3.772 ( -0.000 1.225 0.000) 1.225 3.841 ( 0.000 1.274 -0.000) 1.274 3.996 ( -0.000 -5.430 0.000) 5.430 4.018 ( 0.000 -8.282 -0.000) 8.282 4.424 ( 0.000 -1.518 0.000) 1.518 4.468 ( 0.000 -4.991 0.000) 4.991 4.789 ( 0.000 4.587 -0.000) 4.587 4.835 ( -0.000 6.724 0.000) 6.724 5.014 ( -0.000 3.883 0.000) 3.883 5.039 ( 0.000 7.478 -0.000) 7.478 5.210 ( -0.000 7.591 0.000) 7.591 5.237 ( 0.000 8.768 0.000) 8.768 5.451 ( -0.000 1.064 0.000) 1.064 5.523 ( 0.000 1.252 0.000) 1.252 5.731 ( 0.000 -1.344 -0.000) 1.344 5.740 ( 0.000 -2.852 0.000) 2.852 5.801 ( -0.000 -3.837 -0.000) 3.837 5.816 ( 0.000 0.184 0.000) 0.184 5.981 ( -0.000 0.350 -0.000) 0.350 6.010 ( 0.000 5.723 0.000) 5.723 6.129 ( 0.000 -4.176 0.000) 4.176 6.221 ( 0.000 -2.893 -0.000) 2.893 6.312 ( 0.000 -4.379 -0.000) 4.379 6.407 ( -0.000 -5.970 0.000) 5.970 6.700 ( -0.000 8.624 0.000) 8.624 6.800 ( 0.000 -1.559 0.000) 1.559 6.867 ( 0.000 8.790 -0.000) 8.790 6.873 ( 0.000 -2.458 0.000) 2.458 7.065 ( 0.000 0.250 0.000) 0.250 7.228 ( 0.000 -3.954 -0.000) 3.954 7.348 ( -0.000 -6.598 -0.000) 6.598 7.514 ( -0.000 -5.150 0.000) 5.150 7.742 ( -0.000 -0.819 -0.000) 0.819 7.783 ( 0.000 -2.383 -0.000) 2.383 7.916 ( -0.000 4.654 -0.000) 4.654 8.072 ( 0.000 1.031 0.000) 1.031 8.147 ( 0.000 6.910 0.000) 6.910 8.647 ( 0.000 0.876 0.000) 0.876 8.688 ( -0.000 8.394 -0.000) 8.394 8.838 ( -0.000 -5.229 0.000) 5.229 8.863 ( -0.000 -4.179 -0.000) 4.179 8.961 ( 0.000 -0.868 -0.000) 0.868 9.128 ( -0.000 -6.665 -0.000) 6.665 9.429 ( 0.000 -8.886 0.000) 8.886 9.677 ( 0.000 3.904 0.000) 3.904 9.937 ( 0.000 -7.567 -0.000) 7.567 10.202 ( -0.000 -0.701 0.000) 0.701 10.258 ( -0.000 -2.462 -0.000) 2.462 10.268 ( 0.000 2.295 0.000) 2.295 10.321 ( 0.000 2.274 -0.000) 2.274 10.631 ( 0.000 -1.852 0.000) 1.852 10.682 ( -0.000 -6.084 0.000) 6.084 11.028 ( 0.000 0.779 -0.000) 0.779 11.188 ( 0.000 0.716 -0.000) 0.716 11.280 ( -0.000 -4.151 -0.000) 4.151 11.328 ( 0.000 -0.191 0.000) 0.191 11.496 ( 0.000 -6.884 -0.000) 6.884 11.567 ( 0.000 -5.752 0.000) 5.752 11.640 ( -0.000 3.072 0.000) 3.072 11.923 ( 0.000 -6.303 -0.000) 6.303 11.945 ( -0.000 3.812 -0.000) 3.812 12.105 ( 0.000 -3.030 0.000) 3.030 12.382 ( 0.000 -1.468 -0.000) 1.468 12.396 ( -0.000 -2.490 0.000) 2.490 12.803 ( 0.000 11.439 -0.000) 11.439 12.937 ( 0.000 4.423 0.000) 4.423 13.224 ( 0.000 4.682 -0.000) 4.682 13.273 ( 0.000 0.605 0.000) 0.605 13.451 ( -0.000 3.336 -0.000) 3.336 13.510 ( 0.000 3.389 0.000) 3.389 13.955 ( -0.000 14.270 -0.000) 14.270 14.374 ( 0.000 6.552 0.000) 6.552 16.029 ( 0.000 19.996 0.000) 19.996 16.147 ( -0.000 17.813 0.000) 17.813 16.872 ( -0.000 -5.188 0.000) 5.188 17.043 ( -0.000 -4.558 -0.000) 4.558 17.689 ( -0.000 4.400 -0.000) 4.400 17.899 ( 0.000 -1.436 0.000) 1.436 18.027 ( -0.000 2.235 -0.000) 2.235 18.048 ( -0.000 -6.327 -0.000) 6.327 18.156 ( 0.000 6.440 0.000) 6.440 18.199 ( 0.000 -11.169 0.000) 11.169 18.418 ( -0.000 -6.137 0.000) 6.137 18.784 ( -0.000 -9.988 -0.000) 9.988 18.818 ( 0.000 2.623 -0.000) 2.623 18.846 ( 0.000 -10.432 -0.000) 10.432 19.247 ( 0.000 -12.667 -0.000) 12.667 19.563 ( 0.000 -9.584 0.000) 9.584 24.176 ( -0.000 12.630 -0.000) 12.630 24.283 ( 0.000 11.199 0.000) 11.199 24.560 ( -0.000 -2.217 0.000) 2.217 24.599 ( 0.000 -3.518 -0.000) 3.518 24.776 ( 0.000 -0.077 -0.000) 0.077 24.799 ( 0.000 -4.511 0.000) 4.511 25.071 ( 0.000 -12.502 -0.000) 12.502 25.242 ( -0.000 -12.473 0.000) 12.473 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.133 ( 0.000 8.740 0.000) 8.740 2.203 ( 0.000 5.626 0.000) 5.626 2.263 ( 0.000 -3.008 0.000) 3.008 2.286 ( 0.000 3.791 0.000) 3.791 2.505 ( 0.000 3.361 0.000) 3.361 2.592 ( 0.000 1.866 0.000) 1.866 2.704 ( 0.000 12.553 0.000) 12.553 2.953 ( 0.000 14.304 0.000) 14.304 3.039 ( 0.000 -4.084 0.000) 4.084 3.074 ( 0.000 3.305 0.000) 3.305 3.215 ( 0.000 -14.319 0.000) 14.319 3.247 ( 0.000 -14.214 0.000) 14.214 3.579 ( 0.000 0.673 0.000) 0.673 3.602 ( 0.000 -0.702 0.000) 0.702 3.624 ( 0.000 -1.154 0.000) 1.154 3.656 ( 0.000 -4.046 0.000) 4.046 3.806 ( 0.000 -1.748 0.000) 1.748 3.838 ( 0.000 0.900 0.000) 0.900 3.996 ( 0.000 4.417 0.000) 4.417 4.209 ( 0.000 4.107 0.000) 4.107 4.411 ( 0.000 1.805 0.000) 1.805 4.746 ( 0.000 -13.721 0.000) 13.721 4.788 ( 0.000 5.631 0.000) 5.631 4.901 ( 0.000 -6.900 0.000) 6.900 5.253 ( 0.000 0.146 0.000) 0.146 5.267 ( 0.000 -1.312 0.000) 1.312 5.444 ( 0.000 3.756 0.000) 3.756 5.495 ( 0.000 -1.615 0.000) 1.615 5.863 ( 0.000 8.529 0.000) 8.529 5.901 ( 0.000 4.350 0.000) 4.350 6.020 ( 0.000 -2.693 0.000) 2.693 6.038 ( 0.000 -3.233 0.000) 3.233 6.357 ( 0.000 5.473 0.000) 5.473 6.400 ( 0.000 0.936 0.000) 0.936 6.475 ( 0.000 2.981 0.000) 2.981 6.481 ( 0.000 1.970 0.000) 1.970 6.693 ( 0.000 4.695 0.000) 4.695 6.746 ( 0.000 3.531 0.000) 3.531 6.759 ( 0.000 -3.495 0.000) 3.495 6.836 ( 0.000 -2.457 0.000) 2.457 6.994 ( 0.000 -1.562 0.000) 1.562 7.049 ( 0.000 -7.322 0.000) 7.322 7.250 ( 0.000 -1.418 0.000) 1.418 7.258 ( 0.000 -1.928 0.000) 1.928 7.831 ( 0.000 1.794 0.000) 1.794 7.876 ( 0.000 -2.613 0.000) 2.613 7.915 ( 0.000 9.555 0.000) 9.555 8.163 ( 0.000 -15.463 0.000) 15.463 8.345 ( 0.000 2.281 0.000) 2.281 8.430 ( 0.000 -6.318 0.000) 6.318 8.842 ( 0.000 2.390 0.000) 2.390 8.859 ( 0.000 0.377 0.000) 0.377 8.980 ( 0.000 3.773 0.000) 3.773 9.052 ( 0.000 -3.294 0.000) 3.294 9.345 ( 0.000 1.623 0.000) 1.623 9.382 ( 0.000 -1.332 0.000) 1.332 9.675 ( 0.000 -0.305 0.000) 0.305 9.729 ( 0.000 -4.767 0.000) 4.767 9.944 ( 0.000 4.098 0.000) 4.098 10.034 ( 0.000 -4.555 0.000) 4.555 10.097 ( 0.000 2.733 0.000) 2.733 10.146 ( 0.000 -2.330 0.000) 2.330 10.604 ( 0.000 5.694 0.000) 5.694 10.731 ( 0.000 -7.040 0.000) 7.040 10.879 ( 0.000 4.496 0.000) 4.496 10.993 ( 0.000 -6.904 0.000) 6.904 11.052 ( 0.000 0.152 0.000) 0.152 11.064 ( 0.000 -1.302 0.000) 1.302 11.640 ( 0.000 1.885 0.000) 1.885 11.678 ( 0.000 -1.978 0.000) 1.978 11.913 ( 0.000 6.511 0.000) 6.511 12.032 ( 0.000 -5.410 0.000) 5.410 12.261 ( 0.000 0.319 0.000) 0.319 12.270 ( 0.000 -0.345 0.000) 0.345 12.763 ( 0.000 5.554 0.000) 5.554 12.814 ( 0.000 2.420 0.000) 2.420 13.081 ( 0.000 -2.843 0.000) 2.843 13.082 ( 0.000 -1.698 0.000) 1.698 13.332 ( 0.000 4.927 0.000) 4.927 13.425 ( 0.000 -3.795 0.000) 3.795 13.746 ( 0.000 3.844 0.000) 3.844 13.791 ( 0.000 -0.549 0.000) 0.549 14.679 ( 0.000 12.879 0.000) 12.879 14.856 ( 0.000 -3.998 0.000) 3.998 15.632 ( 0.000 2.912 0.000) 2.912 15.681 ( 0.000 -1.755 0.000) 1.755 16.048 ( 0.000 4.456 0.000) 4.456 16.109 ( 0.000 -2.690 0.000) 2.690 16.111 ( 0.000 14.120 0.000) 14.120 16.442 ( 0.000 -17.706 0.000) 17.706 17.232 ( 0.000 25.364 0.000) 25.364 17.657 ( 0.000 -16.180 0.000) 16.180 18.260 ( 0.000 0.021 0.000) 0.021 18.275 ( 0.000 -1.699 0.000) 1.699 18.495 ( 0.000 0.802 0.000) 0.802 18.523 ( 0.000 -2.096 0.000) 2.096 18.750 ( 0.000 -4.767 0.000) 4.767 18.885 ( 0.000 -15.454 0.000) 15.454 19.257 ( 0.000 8.647 0.000) 8.647 19.426 ( 0.000 -8.160 0.000) 8.160 23.298 ( 0.000 17.464 0.000) 17.464 23.542 ( 0.000 -9.185 0.000) 9.185 23.701 ( 0.000 11.807 0.000) 11.807 24.043 ( 0.000 -20.557 0.000) 20.557 25.174 ( 0.000 7.345 0.000) 7.345 25.317 ( 0.000 -6.847 0.000) 6.847 25.406 ( 0.000 8.132 0.000) 8.132 25.570 ( 0.000 -8.192 0.000) 8.192 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.237 ( 9.103 10.995 0.187) 14.275 2.403 ( 13.327 0.408 -0.052) 13.334 2.556 ( 15.858 17.149 9.760) 25.314 2.620 ( 10.771 -0.478 0.637) 10.800 2.644 ( 10.453 4.361 -3.567) 11.875 2.810 ( 13.730 -2.869 -1.136) 14.072 2.827 ( 10.150 7.006 -0.899) 12.366 2.951 ( 1.383 12.407 -2.494) 12.730 3.115 ( 8.644 -12.616 1.584) 15.375 3.167 ( 5.828 5.167 4.777) 9.137 3.222 ( -1.330 -10.815 -2.172) 11.111 3.329 ( 17.918 -7.055 1.949) 19.356 3.442 ( 4.877 -2.344 2.845) 6.114 3.521 ( 2.742 -7.449 -0.735) 7.972 3.695 ( 3.606 0.368 -0.197) 3.630 3.749 ( 1.425 -5.806 0.535) 6.002 3.824 ( 2.255 -0.977 -1.383) 2.820 3.911 ( 2.387 -7.385 -4.732) 9.090 4.170 ( 16.617 11.162 -1.397) 20.067 4.365 ( 11.031 4.821 -3.984) 12.681 4.547 ( 11.419 7.141 -0.019) 13.468 4.777 ( 4.057 1.761 0.284) 4.432 4.792 ( 2.056 -5.039 -0.402) 5.457 4.926 ( 6.145 -12.732 0.111) 14.137 5.336 ( 5.667 2.629 3.966) 7.400 5.380 ( 6.848 -1.969 -1.770) 7.342 5.522 ( 4.507 4.071 -5.750) 8.363 5.578 ( 6.092 -1.359 -5.137) 8.084 5.870 ( -1.382 7.230 4.856) 8.819 5.921 ( 1.601 0.891 3.546) 3.992 5.993 ( -1.187 -1.729 -0.248) 2.112 6.038 ( 0.835 -4.076 0.916) 4.261 6.307 ( -4.200 3.711 1.251) 5.743 6.347 ( -4.870 -0.317 1.553) 5.121 6.465 ( -1.327 5.865 4.110) 7.284 6.525 ( -2.953 0.759 0.190) 3.055 6.650 ( 0.756 2.074 1.071) 2.453 6.711 ( -5.847 -3.767 0.273) 6.961 6.823 ( 6.820 0.576 -2.019) 7.136 6.848 ( 5.099 -1.603 -3.189) 6.224 7.095 ( -1.351 2.266 2.522) 3.650 7.152 ( -2.688 -3.158 0.458) 4.172 7.426 ( 23.554 -0.827 0.787) 23.582 7.451 ( 20.534 -2.879 -0.836) 20.752 7.768 ( -5.971 4.721 2.978) 8.174 7.825 ( -2.578 -0.633 3.454) 4.356 8.036 ( 6.548 2.325 -2.906) 7.531 8.113 ( -9.014 -4.055 -0.770) 9.914 8.270 ( -8.576 -3.082 -3.137) 9.638 8.298 ( 4.436 -7.711 -3.451) 9.542 8.629 ( -13.669 0.022 1.576) 13.760 8.635 ( -13.838 0.112 1.596) 13.931 8.964 ( -4.007 2.123 4.521) 6.403 9.030 ( -3.670 -4.318 3.544) 6.684 9.536 ( 6.933 2.421 -4.054) 8.388 9.551 ( 8.693 0.707 -4.233) 9.694 9.789 ( 8.495 -0.412 -2.415) 8.841 9.826 ( 4.055 -1.597 -4.378) 6.178 9.884 ( 1.878 0.753 -2.880) 3.519 9.946 ( -2.138 -3.348 -1.317) 4.185 10.251 ( 9.434 0.768 6.365) 11.407 10.268 ( 7.565 -0.987 5.928) 9.662 10.606 ( 1.353 5.561 -2.086) 6.092 10.729 ( 1.316 -6.282 -1.557) 6.604 10.820 ( -5.707 2.499 0.434) 6.245 10.895 ( -7.199 -4.567 2.218) 8.809 11.097 ( 4.394 -0.271 -1.933) 4.808 11.121 ( 4.823 -2.583 -4.021) 6.789 11.585 ( -4.478 1.390 1.314) 4.870 11.615 ( -5.090 -1.625 1.905) 5.673 11.915 ( -0.278 5.315 -1.096) 5.434 12.022 ( -1.434 -5.231 -1.116) 5.538 12.168 ( -7.321 1.702 3.484) 8.284 12.199 ( -6.060 -1.416 4.911) 7.928 12.659 ( -8.582 4.805 -0.859) 9.873 12.730 ( -8.534 -0.826 -1.321) 8.675 13.067 ( -0.004 1.183 1.289) 1.749 13.114 ( 1.559 -2.298 -0.197) 2.784 13.268 ( -4.615 4.808 0.375) 6.675 13.346 ( -6.035 -2.717 -1.239) 6.733 13.684 ( -4.939 3.779 -2.177) 6.589 13.732 ( -4.821 -0.857 -3.011) 5.748 14.483 ( -11.233 12.280 0.373) 16.647 14.657 ( -11.807 -4.227 2.055) 12.708 16.119 ( 16.097 10.171 1.402) 19.093 16.133 ( 28.218 7.747 1.605) 29.306 16.224 ( 29.336 2.459 -2.822) 29.574 16.432 ( 29.479 5.146 -2.568) 30.034 16.445 ( 14.914 -10.413 1.377) 18.242 16.642 ( 31.259 -13.674 0.498) 34.123 17.269 ( 5.722 22.902 0.842) 23.621 17.659 ( 2.065 -14.728 -0.764) 14.891 18.236 ( -2.338 0.463 1.679) 2.916 18.264 ( -1.433 -2.284 -0.780) 2.807 18.498 ( 0.485 -0.873 0.921) 1.359 18.506 ( -1.399 -1.675 -0.679) 2.285 18.747 ( -0.342 -3.900 0.579) 3.958 18.884 ( -0.013 -15.031 0.935) 15.060 19.240 ( -1.758 9.121 -0.774) 9.321 19.419 ( -0.767 -8.526 -0.551) 8.578 23.447 ( 14.688 16.262 -2.356) 22.040 23.669 ( 12.434 -8.280 -4.346) 15.557 23.765 ( 6.558 10.647 3.762) 13.059 24.095 ( 5.485 -20.008 1.611) 20.809 25.121 ( -5.546 7.178 0.397) 9.080 25.261 ( -5.825 -6.659 -0.247) 8.851 25.397 ( -2.112 8.275 -0.402) 8.550 25.564 ( -1.971 -8.298 0.126) 8.530 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.451 ( 9.811 8.452 0.981) 12.986 2.611 ( 7.389 -2.147 -0.925) 7.750 2.729 ( 4.421 19.209 14.942) 24.734 2.774 ( 1.098 2.040 -0.346) 2.343 2.796 ( 1.152 3.630 -4.188) 5.661 2.882 ( -0.963 9.487 -7.607) 12.198 2.913 ( 1.830 5.127 -4.307) 6.942 3.006 ( 0.372 12.423 6.365) 13.963 3.109 ( -1.948 -2.942 -1.465) 3.820 3.179 ( -0.142 -5.427 -1.263) 5.573 3.248 ( 2.892 -18.492 -0.783) 18.733 3.385 ( -3.028 -17.658 3.726) 18.299 3.730 ( 0.742 -0.481 -1.841) 2.042 3.765 ( 0.949 -4.861 1.823) 5.277 3.837 ( 2.389 -2.681 -1.086) 3.752 3.893 ( 0.362 -7.003 -1.725) 7.221 4.187 ( 31.637 3.744 2.398) 31.948 4.321 ( 33.464 -7.961 -2.072) 34.460 4.477 ( 7.899 3.998 0.303) 8.858 4.556 ( 13.771 -3.397 -0.455) 14.191 4.851 ( 17.492 18.692 -4.165) 25.937 4.986 ( 19.421 6.870 1.013) 20.625 5.092 ( 17.563 -6.016 -3.766) 18.943 5.209 ( 19.858 -9.507 0.214) 22.017 5.411 ( 1.297 6.883 6.855) 9.800 5.498 ( 3.004 1.879 -0.821) 3.638 5.570 ( 0.479 2.290 -1.973) 3.060 5.658 ( 0.867 -1.435 -3.670) 4.035 5.856 ( -0.513 3.134 2.110) 3.813 5.943 ( -6.151 -1.363 0.590) 6.328 5.994 ( 4.380 0.643 -0.206) 4.431 6.089 ( 1.584 -5.210 0.535) 5.472 6.199 ( -4.729 2.082 -0.576) 5.199 6.241 ( -4.460 -2.080 -1.197) 5.064 6.287 ( -8.498 0.031 2.106) 8.755 6.325 ( -10.969 -2.841 0.919) 11.368 6.695 ( 4.417 3.934 4.475) 7.416 6.747 ( 4.295 -1.510 4.984) 6.750 6.877 ( -1.819 4.780 -5.568) 7.561 6.960 ( 2.149 -1.321 -3.450) 4.273 7.095 ( 1.167 1.969 2.220) 3.189 7.126 ( 5.327 -0.362 -0.264) 5.346 7.510 ( -12.985 0.558 2.300) 13.199 7.561 ( -11.751 -3.977 0.982) 12.445 7.790 ( -3.064 0.715 -1.243) 3.383 7.824 ( -4.871 -2.875 -1.714) 5.910 7.986 ( 4.657 5.990 -0.769) 7.626 8.095 ( 1.402 -4.658 0.752) 4.923 8.273 ( 2.163 8.000 0.520) 8.304 8.465 ( 5.548 -10.416 0.638) 11.819 8.494 ( 10.804 3.933 4.292) 12.273 8.593 ( 14.037 -6.670 -0.996) 15.573 8.834 ( -5.481 1.514 1.540) 5.891 8.902 ( -6.517 -5.008 2.676) 8.644 9.415 ( -13.348 5.458 -4.845) 15.213 9.505 ( -11.045 -3.889 -4.280) 12.468 9.836 ( -3.575 3.601 -3.075) 5.934 9.890 ( -2.671 -2.073 -2.876) 4.439 10.064 ( 9.875 -0.903 0.984) 9.964 10.084 ( 10.399 -3.122 -1.353) 10.942 10.317 ( -0.401 1.589 4.156) 4.468 10.333 ( -0.479 -0.050 2.819) 2.859 10.654 ( -4.294 1.662 1.115) 4.738 10.693 ( -5.563 -2.184 2.859) 6.625 10.874 ( 13.054 1.461 -3.415) 13.573 10.941 ( 15.588 -5.274 -0.624) 16.468 11.191 ( 3.151 1.081 -3.052) 4.518 11.235 ( 4.404 -3.207 -4.668) 7.174 11.490 ( -3.560 0.260 1.467) 3.859 11.509 ( -3.475 -1.608 2.906) 4.807 11.840 ( -7.787 3.362 -2.950) 8.980 11.920 ( -7.740 -4.466 -1.300) 9.030 12.032 ( -3.355 3.089 6.295) 7.773 12.092 ( -2.876 -3.169 6.867) 8.091 12.453 ( -8.440 1.750 -0.704) 8.648 12.491 ( -10.986 -1.551 -0.119) 11.096 13.029 ( -4.323 3.784 -2.273) 6.179 13.073 ( -5.438 -0.299 -5.103) 7.464 13.229 ( 1.786 3.329 2.581) 4.576 13.277 ( 1.091 -1.385 3.511) 3.929 13.568 ( -5.013 3.638 -2.562) 6.703 13.615 ( -5.312 -0.887 -3.105) 6.217 14.291 ( -6.252 11.804 0.419) 13.364 14.459 ( -6.156 -4.278 1.563) 7.658 16.281 ( 7.607 16.804 0.441) 18.451 16.538 ( 4.511 11.532 0.707) 12.403 16.591 ( 7.320 -7.663 -0.476) 10.608 16.820 ( 10.250 -9.931 0.444) 14.278 17.295 ( 37.427 4.664 0.944) 37.728 17.429 ( 31.691 -9.979 -0.142) 33.225 17.630 ( 27.317 15.568 -0.869) 31.454 17.905 ( 21.337 -9.428 -3.423) 23.577 18.149 ( -5.826 0.658 2.835) 6.513 18.195 ( -5.177 -3.025 -1.318) 6.140 18.460 ( -3.304 1.035 0.215) 3.469 18.524 ( 1.925 -4.917 1.021) 5.378 18.734 ( -0.830 -1.167 0.950) 1.719 18.891 ( 0.710 -13.823 1.210) 13.894 19.170 ( -4.754 9.979 -1.119) 11.110 19.383 ( -2.738 -10.561 -0.805) 10.940 23.941 ( 27.720 17.928 -1.430) 33.043 24.028 ( 20.334 2.936 -1.356) 20.590 24.089 ( 24.112 -4.963 0.688) 24.627 24.331 ( 17.730 -18.593 1.292) 25.724 24.900 ( -15.146 7.096 0.269) 16.728 25.036 ( -15.088 -6.408 -0.411) 16.398 25.234 ( -14.627 7.922 -0.226) 16.636 25.403 ( -14.484 -8.826 0.192) 16.963 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.608 ( -0.000 6.516 -0.000) 6.516 2.698 ( 0.000 1.763 -0.000) 1.763 2.755 ( 0.000 -4.320 -0.000) 4.320 2.758 ( -0.000 0.564 0.000) 0.564 2.814 ( 0.000 15.554 -0.000) 15.554 2.848 ( 0.000 19.326 -0.000) 19.326 2.930 ( 0.000 5.199 0.000) 5.199 2.968 ( 0.000 12.316 0.000) 12.316 3.114 ( 0.000 -5.141 -0.000) 5.141 3.188 ( 0.000 -1.210 0.000) 1.210 3.298 ( -0.000 -19.905 0.000) 19.905 3.331 ( 0.000 -17.883 -0.000) 17.883 3.732 ( 0.000 -2.007 0.000) 2.007 3.776 ( 0.000 -4.754 -0.000) 4.754 3.873 ( -0.000 -4.608 -0.000) 4.608 3.878 ( 0.000 -5.270 0.000) 5.270 4.426 ( -0.001 0.900 -0.000) 0.900 4.426 ( 0.001 0.443 0.000) 0.443 4.794 ( 0.000 -0.793 -0.000) 0.793 4.815 ( -0.000 -2.910 0.000) 2.910 5.229 ( -0.000 10.607 0.000) 10.607 5.252 ( 0.000 8.575 -0.000) 8.575 5.386 ( -0.000 7.354 -0.000) 7.354 5.423 ( 0.000 2.789 0.000) 2.789 5.482 ( 0.000 6.984 -0.000) 6.984 5.541 ( 0.000 0.657 -0.000) 0.657 5.670 ( -0.001 -5.292 0.000) 5.292 5.681 ( 0.000 -6.459 -0.000) 6.459 5.693 ( 0.000 -1.764 0.000) 1.764 5.739 ( -0.000 -5.475 0.000) 5.475 6.002 ( -0.000 1.373 -0.000) 1.373 6.031 ( 0.000 -1.955 0.000) 1.955 6.125 ( 0.000 2.265 -0.000) 2.265 6.164 ( -0.000 -2.317 -0.000) 2.317 6.277 ( 0.000 0.570 -0.000) 0.570 6.317 ( -0.000 -3.270 0.000) 3.270 6.782 ( -0.000 -0.395 -0.000) 0.395 6.784 ( 0.000 -0.293 0.000) 0.293 6.881 ( 0.000 4.963 0.000) 4.963 6.965 ( 0.000 -1.071 -0.000) 1.071 7.122 ( 0.000 4.119 0.000) 4.119 7.196 ( 0.000 -1.393 -0.000) 1.393 7.257 ( 0.000 1.439 -0.000) 1.439 7.387 ( -0.000 -7.555 0.000) 7.555 7.738 ( -0.000 0.310 0.000) 0.310 7.751 ( 0.000 -0.993 -0.000) 0.993 8.004 ( -0.000 3.814 0.000) 3.814 8.061 ( 0.000 -1.827 -0.000) 1.827 8.320 ( 0.000 10.287 0.000) 10.287 8.546 ( 0.000 -11.211 0.000) 11.211 8.750 ( 0.000 -0.062 -0.000) 0.062 8.780 ( -0.000 -2.211 0.000) 2.211 8.835 ( -0.000 4.822 0.000) 4.822 8.921 ( 0.000 -3.750 -0.000) 3.750 9.140 ( -0.000 5.423 -0.000) 5.423 9.270 ( 0.000 -7.291 0.000) 7.291 9.751 ( 0.000 3.459 0.000) 3.459 9.821 ( 0.000 -4.159 -0.000) 4.159 10.180 ( -0.000 -0.381 -0.000) 0.381 10.203 ( 0.000 -2.504 0.000) 2.504 10.325 ( 0.000 2.352 0.000) 2.352 10.349 ( 0.000 0.069 0.000) 0.069 10.605 ( 0.000 -0.874 -0.000) 0.874 10.606 ( -0.000 -1.460 0.000) 1.460 11.076 ( -0.000 3.766 0.000) 3.766 11.164 ( 0.000 -4.430 -0.000) 4.430 11.234 ( -0.000 1.452 -0.000) 1.452 11.290 ( 0.000 -3.413 0.000) 3.413 11.433 ( 0.000 0.559 0.000) 0.559 11.476 ( 0.000 -3.371 0.000) 3.371 11.712 ( -0.000 4.088 0.000) 4.088 11.806 ( 0.000 -5.426 -0.000) 5.426 11.999 ( 0.000 2.215 -0.000) 2.215 12.047 ( 0.000 -2.709 0.000) 2.709 12.357 ( 0.000 -0.547 -0.000) 0.547 12.364 ( -0.000 -1.027 0.000) 1.027 12.963 ( -0.000 4.536 -0.000) 4.536 12.994 ( 0.000 1.022 0.000) 1.022 13.287 ( 0.000 1.473 -0.000) 1.473 13.289 ( 0.000 0.814 0.000) 0.814 13.509 ( -0.000 2.446 0.000) 2.446 13.539 ( 0.000 -0.297 0.000) 0.297 14.221 ( 0.000 11.817 -0.000) 11.817 14.392 ( 0.000 -4.530 0.000) 4.530 16.411 ( 0.000 17.655 -0.000) 17.655 16.512 ( -0.000 18.140 0.000) 18.140 16.710 ( -0.000 -11.271 0.000) 11.271 16.851 ( 0.000 -14.234 -0.000) 14.234 17.769 ( -0.000 3.496 0.000) 3.496 17.832 ( 0.000 -3.392 -0.000) 3.392 18.024 ( -0.000 1.230 -0.000) 1.230 18.062 ( 0.000 -3.289 0.000) 3.289 18.097 ( -0.000 5.047 -0.000) 5.047 18.220 ( 0.000 -5.186 0.000) 5.186 18.369 ( 0.000 6.329 -0.000) 6.329 18.568 ( -0.000 -12.426 0.000) 12.426 18.719 ( 0.000 4.416 0.000) 4.416 18.895 ( 0.000 -8.073 -0.000) 8.073 19.095 ( -0.000 6.652 -0.000) 6.652 19.331 ( 0.000 -13.117 0.000) 13.117 24.409 ( -0.000 9.528 -0.000) 9.528 24.474 ( 0.000 6.171 -0.000) 6.171 24.542 ( 0.000 -1.867 0.000) 1.867 24.553 ( -0.000 0.858 -0.000) 0.858 24.721 ( -0.000 -1.879 -0.000) 1.879 24.825 ( 0.000 5.628 -0.000) 5.628 24.827 ( 0.000 -11.092 -0.000) 11.092 25.001 ( -0.000 -11.249 0.000) 11.249 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 0.724 ( -13.086 0.000 31.016) 33.664 0.793 ( -5.515 0.000 35.162) 35.592 1.355 ( -12.242 0.000 53.697) 55.075 1.840 ( 5.521 0.000 -15.914) 16.845 2.328 ( -4.522 0.000 -13.132) 13.889 2.463 ( 15.136 0.000 -0.963) 15.167 2.473 ( -3.756 0.000 -8.747) 9.519 2.859 ( 1.311 0.000 -2.378) 2.716 2.900 ( 8.587 0.000 22.560) 24.139 2.955 ( -3.099 0.000 0.225) 3.107 3.100 ( 0.240 0.000 -4.246) 4.253 3.694 ( 2.731 0.000 -8.082) 8.531 3.713 ( -4.601 0.000 5.677) 7.307 3.786 ( -1.434 0.000 11.446) 11.536 3.889 ( 0.243 0.000 -1.465) 1.485 3.976 ( -0.742 0.000 18.019) 18.034 4.092 ( 0.788 0.000 0.647) 1.020 4.124 ( 4.786 0.000 0.204) 4.790 4.159 ( -9.240 0.000 0.743) 9.270 4.304 ( -1.183 0.000 -0.898) 1.486 4.545 ( -0.715 0.000 -22.822) 22.834 4.697 ( -0.423 0.000 -7.078) 7.091 4.994 ( -0.074 0.000 2.169) 2.170 5.242 ( -13.420 0.000 7.142) 15.202 5.336 ( 0.644 0.000 2.004) 2.105 5.429 ( 0.954 0.000 -5.439) 5.522 5.589 ( -4.732 0.000 -11.234) 12.190 5.628 ( -7.076 0.000 8.083) 10.743 5.718 ( 3.882 0.000 -13.658) 14.199 5.821 ( -13.732 0.000 6.830) 15.337 5.860 ( -0.256 0.000 -3.619) 3.628 6.032 ( 12.409 0.000 3.878) 13.001 6.078 ( 3.551 0.000 2.057) 4.103 6.181 ( -1.091 0.000 2.227) 2.480 6.223 ( 3.889 0.000 -3.641) 5.328 6.351 ( -4.559 0.000 19.109) 19.645 6.493 ( -2.378 0.000 -4.683) 5.252 6.696 ( 1.783 0.000 3.569) 3.990 6.908 ( 5.247 0.000 2.164) 5.676 7.230 ( 0.557 0.000 -0.076) 0.562 7.292 ( 1.080 0.000 -11.255) 11.307 7.474 ( 9.732 0.000 -4.298) 10.639 7.681 ( -0.986 0.000 0.753) 1.241 7.734 ( -4.350 0.000 -4.242) 6.076 7.853 ( 0.829 0.000 -2.840) 2.959 7.857 ( -10.781 0.000 -6.436) 12.556 8.233 ( 3.570 0.000 6.946) 7.810 8.262 ( -4.490 0.000 6.213) 7.665 8.569 ( 3.259 0.000 -1.302) 3.510 8.689 ( 18.631 0.000 5.856) 19.530 8.996 ( -20.841 0.000 -7.408) 22.119 9.124 ( 12.005 0.000 -3.703) 12.563 9.226 ( 1.603 0.000 -1.026) 1.904 9.333 ( 7.308 0.000 3.630) 8.160 9.370 ( 2.010 0.000 -3.728) 4.235 9.640 ( -11.815 0.000 -10.160) 15.583 9.879 ( -11.685 0.000 3.414) 12.174 9.879 ( 6.281 0.000 5.320) 8.232 10.101 ( 5.521 0.000 2.604) 6.105 10.216 ( -3.329 0.000 -4.518) 5.612 10.380 ( -2.299 0.000 4.061) 4.666 10.398 ( -0.348 0.000 6.084) 6.094 10.573 ( 0.060 0.000 3.645) 3.645 10.643 ( 1.434 0.000 1.489) 2.067 11.002 ( 1.265 0.000 -8.098) 8.197 11.135 ( -0.157 0.000 -6.577) 6.579 11.317 ( -2.087 0.000 1.143) 2.379 11.322 ( 3.878 0.000 1.321) 4.096 11.459 ( -9.070 0.000 9.121) 12.863 11.574 ( 0.528 0.000 -0.107) 0.538 11.827 ( 0.157 0.000 -6.386) 6.388 12.016 ( 8.530 0.000 -10.080) 13.205 12.393 ( -5.347 0.000 5.593) 7.737 12.415 ( -3.311 0.000 1.702) 3.722 12.468 ( 2.407 0.000 3.491) 4.240 12.561 ( 0.542 0.000 -5.873) 5.898 12.737 ( 4.611 0.000 -0.624) 4.653 12.764 ( 0.644 0.000 -2.164) 2.258 13.120 ( 2.825 0.000 11.535) 11.876 13.373 ( -1.605 0.000 -1.881) 2.473 13.441 ( 0.661 0.000 -0.226) 0.698 13.495 ( -9.975 0.000 -0.351) 9.981 13.707 ( -2.920 0.000 9.169) 9.622 14.184 ( 19.735 0.000 -7.164) 20.995 15.389 ( 0.927 0.000 7.006) 7.067 15.468 ( -3.441 0.000 12.992) 13.440 15.588 ( 5.155 0.000 -5.100) 7.252 15.844 ( -0.362 0.000 5.476) 5.488 16.123 ( -5.522 0.000 -1.935) 5.852 16.843 ( 2.587 0.000 -28.900) 29.016 18.403 ( -1.669 0.000 4.337) 4.647 18.515 ( 4.838 0.000 5.025) 6.976 18.568 ( -1.688 0.000 -1.687) 2.387 18.712 ( 1.473 0.000 8.000) 8.134 18.745 ( -0.886 0.000 -4.112) 4.207 19.117 ( 0.055 0.000 -7.242) 7.243 19.129 ( -4.205 0.000 4.072) 5.853 19.270 ( -2.064 0.000 -0.631) 2.159 19.957 ( -0.642 0.000 1.561) 1.688 20.057 ( 0.717 0.000 -1.907) 2.038 21.736 ( -8.945 0.000 1.697) 9.104 21.814 ( 1.786 0.000 -1.083) 2.089 24.803 ( -0.671 0.000 2.409) 2.500 25.014 ( 0.909 0.000 -5.262) 5.340 25.278 ( 1.160 0.000 0.382) 1.221 25.293 ( -5.970 0.000 -0.076) 5.971 25.670 ( -2.668 0.000 5.651) 6.250 25.912 ( 2.374 0.000 -3.095) 3.901 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 0.909 ( 28.248 0.000 20.711) 35.027 1.027 ( 23.618 0.000 23.214) 33.116 1.788 ( 43.324 0.000 34.614) 55.454 2.219 ( 21.782 0.000 -12.800) 25.265 2.517 ( 8.953 0.000 -16.093) 18.416 2.687 ( 6.659 0.000 2.408) 7.081 2.819 ( 3.079 0.000 6.372) 7.077 2.901 ( 13.984 0.000 6.309) 15.341 2.977 ( 13.856 0.000 0.519) 13.866 3.318 ( 35.269 0.000 -0.653) 35.275 3.431 ( 2.583 0.000 0.610) 2.654 3.609 ( -1.324 0.000 0.399) 1.383 3.632 ( -7.216 0.000 16.622) 18.121 3.644 ( 24.235 0.000 -4.644) 24.675 3.855 ( 1.125 0.000 23.706) 23.733 4.061 ( 14.418 0.000 -5.596) 15.466 4.143 ( 1.755 0.000 3.913) 4.288 4.150 ( -2.656 0.000 0.092) 2.657 4.311 ( 8.023 0.000 0.037) 8.023 4.332 ( 11.958 0.000 -4.386) 12.737 4.608 ( 5.075 0.000 -21.091) 21.693 4.708 ( 4.203 0.000 -6.827) 8.017 4.864 ( -10.474 0.000 2.746) 10.828 5.127 ( 2.726 0.000 6.723) 7.255 5.371 ( -1.749 0.000 4.348) 4.687 5.436 ( -6.922 0.000 -18.002) 19.287 5.482 ( -2.163 0.000 5.173) 5.607 5.517 ( 3.393 0.000 -5.098) 6.124 5.752 ( -0.766 0.000 -12.455) 12.478 5.767 ( 0.794 0.000 9.420) 9.453 5.837 ( -0.941 0.000 -3.453) 3.579 6.083 ( -5.917 0.000 11.332) 12.784 6.177 ( 5.266 0.000 5.021) 7.276 6.233 ( 4.709 0.000 1.220) 4.865 6.363 ( 6.883 0.000 11.231) 13.172 6.416 ( 6.022 0.000 4.195) 7.339 6.482 ( 6.168 0.000 -6.387) 8.879 6.714 ( 0.905 0.000 -0.765) 1.185 6.927 ( -4.464 0.000 3.624) 5.750 7.093 ( -11.479 0.000 0.535) 11.491 7.239 ( -6.873 0.000 -4.405) 8.163 7.453 ( -8.276 0.000 -23.033) 24.474 7.683 ( 0.905 0.000 4.672) 4.759 7.713 ( 0.728 0.000 1.755) 1.900 7.783 ( -3.589 0.000 -1.695) 3.969 7.839 ( 2.395 0.000 1.911) 3.064 8.003 ( -13.908 0.000 0.950) 13.941 8.315 ( 5.211 0.000 -3.555) 6.308 8.383 ( -11.223 0.000 -1.945) 11.390 8.526 ( -18.166 0.000 -6.889) 19.428 8.911 ( -0.166 0.000 4.962) 4.964 9.018 ( -17.232 0.000 12.169) 21.096 9.352 ( -10.410 0.000 -1.146) 10.473 9.407 ( 9.262 0.000 -2.217) 9.524 9.495 ( 8.810 0.000 -5.112) 10.186 9.501 ( 6.601 0.000 -1.106) 6.693 9.734 ( -1.865 0.000 -2.709) 3.289 9.955 ( 1.355 0.000 5.881) 6.035 10.172 ( -0.694 0.000 0.309) 0.760 10.263 ( -4.859 0.000 -2.467) 5.449 10.460 ( 5.956 0.000 6.468) 8.792 10.674 ( 8.996 0.000 0.751) 9.027 10.726 ( 5.286 0.000 0.994) 5.378 10.917 ( 28.830 0.000 -8.926) 30.180 11.000 ( -2.186 0.000 -4.733) 5.213 11.088 ( -4.651 0.000 -7.422) 8.759 11.246 ( -1.414 0.000 0.491) 1.497 11.319 ( -2.546 0.000 4.262) 4.965 11.438 ( 6.242 0.000 -0.154) 6.244 11.551 ( -2.950 0.000 0.285) 2.964 11.784 ( -3.330 0.000 -6.324) 7.147 11.948 ( -13.349 0.000 -0.005) 13.349 12.200 ( -10.681 0.000 5.560) 12.042 12.392 ( 3.543 0.000 -5.501) 6.543 12.496 ( -5.644 0.000 -1.779) 5.918 12.570 ( 1.437 0.000 4.859) 5.067 12.791 ( 4.122 0.000 -2.023) 4.592 12.801 ( 0.978 0.000 -3.837) 3.959 13.046 ( -9.327 0.000 15.069) 17.722 13.155 ( -12.213 0.000 -4.704) 13.088 13.381 ( -4.164 0.000 -1.759) 4.520 13.391 ( -3.546 0.000 -4.286) 5.563 13.612 ( -4.695 0.000 7.043) 8.464 14.089 ( -13.429 0.000 -1.217) 13.484 15.523 ( 4.642 0.000 15.087) 15.785 15.755 ( -11.186 0.000 19.669) 22.628 15.980 ( 42.039 0.000 -2.351) 42.104 16.017 ( 20.744 0.000 -2.412) 20.883 16.203 ( 35.716 0.000 1.942) 35.769 16.888 ( 2.456 0.000 -27.745) 27.854 18.344 ( -3.846 0.000 7.520) 8.447 18.517 ( -3.440 0.000 -3.254) 4.735 18.604 ( 2.030 0.000 5.576) 5.934 18.770 ( 2.563 0.000 -4.463) 5.147 18.795 ( 5.674 0.000 10.074) 11.562 19.067 ( -0.704 0.000 -0.637) 0.949 19.108 ( -2.389 0.000 -5.284) 5.799 19.287 ( 3.449 0.000 2.570) 4.301 19.857 ( -9.242 0.000 2.219) 9.505 20.031 ( -3.087 0.000 -0.998) 3.244 22.129 ( 27.223 0.000 4.138) 27.536 22.751 ( 58.976 0.000 -49.893) 77.250 24.734 ( -6.735 0.000 2.093) 7.052 24.985 ( -4.284 0.000 -2.013) 4.734 25.052 ( -8.227 0.000 8.120) 11.560 25.293 ( 1.089 0.000 0.237) 1.115 25.569 ( -6.633 0.000 5.197) 8.427 25.941 ( -0.628 0.000 -2.305) 2.389 ======================= Grid point 65 (23/70) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.508 ( 24.434 0.000 22.241) 33.041 1.646 ( 30.641 0.000 10.552) 32.407 2.482 ( -9.712 0.000 17.262) 19.806 2.529 ( 7.920 0.000 -3.881) 8.820 2.762 ( -6.082 0.000 1.705) 6.317 2.853 ( 13.530 0.000 -16.047) 20.989 2.887 ( 50.192 0.000 13.913) 52.085 3.066 ( -21.304 0.000 6.977) 22.417 3.102 ( 1.732 0.000 -5.462) 5.730 3.375 ( 17.942 0.000 -0.612) 17.952 3.483 ( -3.706 0.000 12.395) 12.937 3.611 ( -1.226 0.000 3.918) 4.106 3.855 ( 6.934 0.000 18.106) 19.388 3.967 ( -10.196 0.000 -1.007) 10.245 4.098 ( 2.230 0.000 10.195) 10.436 4.319 ( 10.195 0.000 -3.884) 10.910 4.458 ( 16.060 0.000 -1.048) 16.094 4.495 ( -7.012 0.000 -0.393) 7.022 4.600 ( 13.884 0.000 -3.974) 14.442 4.633 ( 15.949 0.000 -8.641) 18.139 4.720 ( 16.981 0.000 -18.114) 24.829 4.784 ( 43.220 0.000 -0.495) 43.223 5.035 ( 19.937 0.000 -5.626) 20.716 5.204 ( -4.459 0.000 5.331) 6.950 5.304 ( -0.347 0.000 -12.261) 12.266 5.304 ( 9.901 0.000 7.611) 12.488 5.541 ( 4.271 0.000 -1.492) 4.524 5.588 ( 3.339 0.000 -13.983) 14.376 5.680 ( -5.758 0.000 -11.254) 12.641 5.762 ( -1.528 0.000 9.220) 9.346 5.798 ( -4.017 0.000 -4.167) 5.788 5.963 ( -6.093 0.000 10.003) 11.712 6.249 ( -3.079 0.000 9.063) 9.572 6.266 ( -3.646 0.000 6.551) 7.497 6.390 ( 1.658 0.000 -2.724) 3.189 6.440 ( 0.033 0.000 11.300) 11.301 6.729 ( 1.196 0.000 -3.797) 3.981 6.752 ( -12.194 0.000 5.481) 13.369 6.821 ( 15.567 0.000 -3.812) 16.027 6.999 ( 9.607 0.000 -5.783) 11.213 7.063 ( -6.205 0.000 -6.857) 9.247 7.261 ( -10.421 0.000 -9.123) 13.850 7.585 ( -10.694 0.000 -3.700) 11.316 7.691 ( 0.982 0.000 0.074) 0.985 7.723 ( 0.767 0.000 -1.805) 1.961 7.822 ( -1.294 0.000 -4.832) 5.002 7.982 ( 0.674 0.000 4.623) 4.672 8.062 ( -10.651 0.000 -4.111) 11.417 8.182 ( -13.235 0.000 -8.122) 15.529 8.390 ( -6.526 0.000 0.062) 6.526 8.699 ( -8.788 0.000 7.481) 11.541 8.812 ( -7.170 0.000 6.070) 9.395 9.150 ( -7.206 0.000 6.114) 9.450 9.419 ( -4.987 0.000 -3.440) 6.058 9.479 ( -5.130 0.000 -0.802) 5.192 9.648 ( 6.142 0.000 -5.769) 8.426 9.850 ( 6.335 0.000 -1.676) 6.553 9.996 ( -0.205 0.000 3.971) 3.977 10.104 ( -4.024 0.000 0.904) 4.124 10.108 ( -5.703 0.000 -1.233) 5.835 10.639 ( 8.696 0.000 6.240) 10.703 10.823 ( 1.634 0.000 1.427) 2.169 10.882 ( 4.039 0.000 -5.866) 7.122 10.940 ( 0.220 0.000 5.385) 5.389 10.962 ( 0.144 0.000 -0.565) 0.583 11.228 ( 5.512 0.000 -0.953) 5.594 11.318 ( -1.007 0.000 -5.190) 5.286 11.323 ( 0.518 0.000 -0.100) 0.528 11.488 ( 0.910 0.000 -1.228) 1.528 11.524 ( 0.958 0.000 -1.837) 2.071 11.651 ( -11.322 0.000 0.449) 11.330 11.732 ( -3.068 0.000 -2.208) 3.780 12.052 ( 2.020 0.000 6.453) 6.762 12.369 ( -4.327 0.000 -0.001) 4.327 12.417 ( -4.795 0.000 0.571) 4.829 12.556 ( 1.656 0.000 -0.417) 1.708 12.805 ( -3.880 0.000 1.728) 4.247 12.829 ( -5.902 0.000 6.561) 8.825 12.904 ( 1.551 0.000 -3.826) 4.128 12.971 ( -1.097 0.000 -4.687) 4.814 13.281 ( -5.093 0.000 -2.637) 5.735 13.281 ( -6.207 0.000 -8.152) 10.246 13.505 ( -4.705 0.000 9.738) 10.815 13.874 ( -6.211 0.000 -0.032) 6.211 15.557 ( -2.097 0.000 20.915) 21.020 15.646 ( 1.079 0.000 13.582) 13.624 16.401 ( 13.841 0.000 -13.408) 19.270 16.763 ( 4.054 0.000 -21.035) 21.422 17.063 ( 51.247 0.000 -1.818) 51.280 17.193 ( 31.644 0.000 -0.031) 31.644 18.201 ( -11.102 0.000 11.210) 15.777 18.371 ( -11.395 0.000 -4.183) 12.139 18.590 ( -2.090 0.000 3.736) 4.281 18.819 ( 1.091 0.000 -3.730) 3.886 18.883 ( 0.357 0.000 10.733) 10.739 19.052 ( -1.604 0.000 -3.646) 3.984 19.174 ( 11.429 0.000 -7.162) 13.488 19.383 ( 5.783 0.000 6.522) 8.716 19.594 ( -14.127 0.000 1.738) 14.234 19.920 ( -7.119 0.000 -0.095) 7.120 22.936 ( 44.087 0.000 9.679) 45.137 23.740 ( 35.529 0.000 -37.556) 51.699 24.443 ( -21.662 0.000 2.592) 21.817 24.880 ( -8.158 0.000 -8.136) 11.522 24.983 ( 2.715 0.000 10.291) 10.643 25.368 ( 6.170 0.000 -1.613) 6.378 25.389 ( -9.148 0.000 8.839) 12.720 25.848 ( -8.167 0.000 -3.409) 8.850 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.973 ( 18.469 0.000 21.516) 28.356 2.217 ( -14.557 0.000 19.923) 24.675 2.280 ( 26.248 0.000 2.334) 26.351 2.455 ( -23.265 0.000 5.114) 23.820 2.655 ( -6.864 0.000 4.049) 7.969 2.680 ( -0.759 0.000 2.940) 3.036 2.955 ( -11.092 0.000 -12.035) 16.367 3.164 ( 12.608 0.000 -10.206) 16.221 3.426 ( -0.408 0.000 10.886) 10.893 3.577 ( -1.345 0.000 6.324) 6.466 3.694 ( 0.342 0.000 -0.215) 0.404 3.737 ( 0.415 0.000 -0.688) 0.804 3.846 ( 30.364 0.000 7.583) 31.297 3.937 ( -6.320 0.000 17.976) 19.054 4.005 ( -20.337 0.000 8.420) 22.011 4.105 ( 0.563 0.000 10.678) 10.693 4.443 ( 1.940 0.000 -3.816) 4.280 4.473 ( -3.467 0.000 -2.933) 4.541 4.817 ( -4.666 0.000 -23.355) 23.817 4.911 ( 10.320 0.000 1.674) 10.455 5.000 ( -10.990 0.000 2.435) 11.257 5.056 ( 8.459 0.000 -16.531) 18.570 5.320 ( 10.780 0.000 -4.872) 11.830 5.382 ( 6.856 0.000 2.369) 7.253 5.412 ( -13.580 0.000 -9.095) 16.344 5.454 ( -9.915 0.000 -4.349) 10.827 5.527 ( -16.363 0.000 3.234) 16.679 5.601 ( -2.609 0.000 1.676) 3.100 5.648 ( 2.544 0.000 -6.752) 7.215 5.791 ( 13.820 0.000 8.525) 16.238 5.821 ( 12.575 0.000 -6.226) 14.032 6.036 ( 18.701 0.000 2.130) 18.822 6.070 ( -10.437 0.000 -1.082) 10.493 6.266 ( 4.662 0.000 15.556) 16.240 6.393 ( 1.284 0.000 9.432) 9.519 6.426 ( -6.782 0.000 -12.485) 14.208 6.569 ( -7.733 0.000 5.799) 9.666 6.640 ( -0.843 0.000 -2.782) 2.907 6.902 ( -6.509 0.000 0.740) 6.551 7.066 ( -1.065 0.000 -6.235) 6.325 7.272 ( 9.549 0.000 -10.255) 14.013 7.321 ( 11.353 0.000 -11.431) 16.111 7.401 ( -3.095 0.000 -10.330) 10.784 7.503 ( -14.003 0.000 -0.829) 14.028 7.741 ( 0.841 0.000 3.120) 3.232 7.766 ( 4.305 0.000 -2.303) 4.883 7.912 ( -7.593 0.000 -0.572) 7.615 8.011 ( -2.440 0.000 -1.485) 2.856 8.128 ( 13.100 0.000 2.890) 13.415 8.190 ( -5.443 0.000 -1.208) 5.576 8.645 ( 2.177 0.000 5.357) 5.782 8.681 ( -3.382 0.000 5.579) 6.524 9.053 ( -0.767 0.000 5.784) 5.835 9.345 ( 0.233 0.000 -4.329) 4.335 9.411 ( 0.071 0.000 5.320) 5.320 9.727 ( -0.019 0.000 -6.927) 6.927 9.928 ( -3.127 0.000 -0.105) 3.129 9.933 ( 4.878 0.000 1.615) 5.138 10.074 ( 0.046 0.000 1.105) 1.106 10.085 ( 0.226 0.000 -3.000) 3.009 10.616 ( -7.526 0.000 0.900) 7.579 10.834 ( 0.515 0.000 -4.810) 4.838 10.922 ( 2.594 0.000 5.759) 6.317 11.001 ( 3.005 0.000 7.028) 7.644 11.116 ( -7.747 0.000 -1.843) 7.963 11.179 ( 6.737 0.000 -1.789) 6.970 11.311 ( 5.648 0.000 -2.619) 6.226 11.369 ( 4.451 0.000 3.938) 5.943 11.428 ( -6.719 0.000 -2.377) 7.127 11.533 ( -0.335 0.000 -3.727) 3.742 11.608 ( 4.011 0.000 0.560) 4.050 11.626 ( -3.617 0.000 -0.209) 3.623 12.181 ( 1.350 0.000 6.571) 6.708 12.266 ( -6.826 0.000 1.142) 6.921 12.396 ( 9.002 0.000 -0.488) 9.015 12.574 ( -1.015 0.000 -5.921) 6.007 12.601 ( -8.968 0.000 8.804) 12.567 12.874 ( 5.672 0.000 0.731) 5.719 12.915 ( 2.836 0.000 -4.112) 4.995 13.037 ( 1.148 0.000 -0.329) 1.195 13.169 ( -4.999 0.000 -3.504) 6.105 13.170 ( -1.011 0.000 -9.985) 10.036 13.447 ( -0.041 0.000 10.020) 10.020 13.805 ( -0.718 0.000 -0.488) 0.868 15.512 ( -1.983 0.000 20.325) 20.421 15.694 ( 2.702 0.000 14.316) 14.569 16.607 ( 6.069 0.000 -21.957) 22.781 16.718 ( -5.630 0.000 -23.324) 23.994 17.680 ( -11.464 0.000 11.516) 16.249 17.912 ( 5.062 0.000 4.942) 7.074 17.946 ( -18.351 0.000 -2.094) 18.471 18.046 ( 26.822 0.000 -0.067) 26.822 18.556 ( -1.246 0.000 3.186) 3.421 18.796 ( -2.484 0.000 -4.669) 5.289 18.850 ( -2.309 0.000 7.360) 7.714 19.065 ( 2.093 0.000 -1.638) 2.658 19.283 ( -13.132 0.000 -0.527) 13.143 19.463 ( 12.295 0.000 -5.816) 13.602 19.551 ( 9.283 0.000 8.034) 12.277 19.739 ( -8.222 0.000 0.154) 8.223 23.727 ( -25.523 0.000 5.161) 26.039 23.909 ( 23.796 0.000 7.726) 25.019 24.350 ( 16.607 0.000 -20.427) 26.326 24.548 ( -17.097 0.000 -18.453) 25.156 25.116 ( 3.626 0.000 11.494) 12.053 25.283 ( 4.059 0.000 12.295) 12.948 25.479 ( -2.490 0.000 -4.431) 5.082 25.671 ( -1.286 0.000 -4.604) 4.780 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.837 ( -30.942 0.000 15.918) 34.797 1.839 ( -20.099 0.000 22.686) 30.309 2.335 ( 14.362 0.000 20.008) 24.629 2.374 ( -13.945 0.000 -12.714) 18.871 2.685 ( -12.210 0.000 -15.908) 20.054 2.694 ( 3.519 0.000 2.736) 4.458 2.892 ( 19.692 0.000 0.068) 19.692 3.070 ( -42.395 0.000 16.006) 45.316 3.259 ( -7.627 0.000 2.353) 7.981 3.391 ( -17.388 0.000 -0.371) 17.392 3.528 ( 8.529 0.000 6.875) 10.955 3.638 ( -3.249 0.000 7.516) 8.188 3.940 ( -3.293 0.000 8.735) 9.335 3.949 ( 4.747 0.000 -0.738) 4.804 3.994 ( -2.821 0.000 19.230) 19.435 4.310 ( -12.457 0.000 -3.035) 12.821 4.410 ( -13.575 0.000 -6.650) 15.116 4.455 ( 13.461 0.000 -2.858) 13.761 4.512 ( -19.829 0.000 -13.115) 23.774 4.668 ( -16.601 0.000 0.350) 16.605 4.765 ( -25.170 0.000 -12.707) 28.195 4.836 ( -26.435 0.000 3.575) 26.676 4.957 ( -15.870 0.000 -10.100) 18.812 5.205 ( 4.439 0.000 4.944) 6.644 5.366 ( 9.377 0.000 -13.748) 16.641 5.370 ( -6.451 0.000 4.400) 7.808 5.571 ( 5.638 0.000 -8.983) 10.605 5.603 ( 1.331 0.000 1.868) 2.294 5.748 ( 0.941 0.000 -12.510) 12.546 5.840 ( -8.199 0.000 -8.490) 11.803 6.000 ( 3.264 0.000 17.182) 17.489 6.016 ( 2.793 0.000 2.546) 3.779 6.220 ( 2.261 0.000 4.228) 4.795 6.285 ( -10.034 0.000 19.918) 22.303 6.293 ( 0.268 0.000 -6.042) 6.048 6.453 ( 5.965 0.000 5.324) 7.996 6.624 ( -3.369 0.000 -2.246) 4.050 6.646 ( 14.729 0.000 6.354) 16.041 6.789 ( -9.642 0.000 -6.984) 11.906 6.998 ( -14.792 0.000 -7.755) 16.702 7.033 ( 5.369 0.000 -4.674) 7.118 7.226 ( 1.307 0.000 -12.504) 12.572 7.610 ( 5.089 0.000 2.680) 5.752 7.758 ( 13.971 0.000 -5.040) 14.853 7.838 ( -0.519 0.000 3.912) 3.946 7.852 ( 11.630 0.000 1.727) 11.757 7.903 ( 8.353 0.000 -6.916) 10.844 8.056 ( -0.383 0.000 -1.611) 1.656 8.084 ( 4.509 0.000 -10.809) 11.712 8.386 ( 2.756 0.000 4.207) 5.029 8.752 ( 11.908 0.000 3.375) 12.377 8.768 ( 7.668 0.000 8.463) 11.420 9.157 ( 9.519 0.000 5.721) 11.106 9.440 ( 6.521 0.000 -4.017) 7.659 9.460 ( 3.265 0.000 0.548) 3.310 9.630 ( -7.288 0.000 -7.790) 10.668 9.804 ( -9.795 0.000 0.031) 9.795 9.978 ( -5.486 0.000 2.592) 6.068 10.135 ( 5.626 0.000 -0.157) 5.628 10.192 ( 13.455 0.000 -0.835) 13.481 10.489 ( -3.492 0.000 5.682) 6.669 10.807 ( -7.691 0.000 4.063) 8.698 10.819 ( -10.484 0.000 -4.157) 11.278 10.984 ( 5.886 0.000 -0.193) 5.889 11.098 ( 3.426 0.000 5.616) 6.578 11.211 ( -7.442 0.000 -3.679) 8.301 11.365 ( 3.764 0.000 -7.022) 7.967 11.418 ( -10.372 0.000 -1.719) 10.514 11.537 ( 4.827 0.000 1.069) 4.944 11.578 ( 14.294 0.000 -1.988) 14.432 11.609 ( -1.136 0.000 3.475) 3.657 11.631 ( 3.424 0.000 -4.523) 5.673 12.150 ( -1.313 0.000 7.411) 7.527 12.223 ( 4.207 0.000 -1.649) 4.519 12.463 ( -1.387 0.000 7.942) 8.062 12.534 ( -2.082 0.000 -6.384) 6.715 12.628 ( 8.452 0.000 2.330) 8.767 12.866 ( -6.232 0.000 -5.290) 8.174 13.013 ( 0.834 0.000 2.924) 3.041 13.127 ( 6.787 0.000 -5.750) 8.896 13.142 ( 9.805 0.000 -0.301) 9.810 13.243 ( 5.229 0.000 -3.529) 6.308 13.508 ( 5.225 0.000 9.317) 10.682 13.811 ( 0.321 0.000 -0.256) 0.411 15.467 ( -2.414 0.000 20.122) 20.266 15.768 ( 4.202 0.000 14.459) 15.057 16.508 ( -14.351 0.000 -16.388) 21.783 16.682 ( -1.147 0.000 -23.153) 23.181 16.953 ( -39.249 0.000 1.582) 39.281 17.165 ( -44.667 0.000 2.448) 44.734 18.200 ( 10.935 0.000 5.171) 12.096 18.515 ( -2.662 0.000 4.411) 5.152 18.564 ( 10.133 0.000 0.123) 10.134 18.793 ( 6.014 0.000 -2.567) 6.539 18.803 ( -2.407 0.000 6.606) 7.031 18.991 ( -8.036 0.000 -5.231) 9.588 19.174 ( 2.654 0.000 -0.147) 2.658 19.439 ( -10.212 0.000 3.306) 10.734 19.765 ( 9.591 0.000 6.326) 11.489 19.806 ( 10.382 0.000 -4.645) 11.373 22.810 ( -43.332 0.000 4.824) 43.600 23.870 ( -34.560 0.000 -30.907) 46.364 24.514 ( 19.633 0.000 5.077) 20.279 24.767 ( 11.918 0.000 -9.597) 15.302 25.123 ( 0.962 0.000 11.121) 11.162 25.306 ( -6.906 0.000 -4.214) 8.090 25.510 ( 11.034 0.000 10.275) 15.077 25.776 ( 5.458 0.000 -6.151) 8.224 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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 ( -27.163 0.000 25.772) 37.444 1.314 ( -30.128 0.000 24.653) 38.929 1.999 ( -17.174 0.000 -23.823) 29.368 2.029 ( -45.431 0.000 36.984) 58.582 2.452 ( -6.579 0.000 -21.106) 22.108 2.623 ( -14.699 0.000 2.341) 14.884 2.640 ( 11.827 0.000 16.435) 20.249 2.937 ( -12.836 0.000 -4.377) 13.562 3.067 ( -15.978 0.000 8.560) 18.127 3.236 ( -36.240 0.000 2.024) 36.297 3.258 ( -3.966 0.000 -4.641) 6.105 3.553 ( -7.476 0.000 -4.163) 8.557 3.681 ( 5.940 0.000 15.334) 16.444 3.812 ( -6.365 0.000 14.219) 15.579 3.991 ( 0.038 0.000 6.830) 6.830 4.018 ( -11.998 0.000 -6.318) 13.560 4.067 ( -8.506 0.000 2.598) 8.894 4.187 ( -5.936 0.000 -4.065) 7.195 4.286 ( 0.657 0.000 0.348) 0.744 4.408 ( -12.552 0.000 -2.312) 12.763 4.590 ( -2.110 0.000 -21.674) 21.777 4.747 ( -5.265 0.000 -6.088) 8.049 4.857 ( 11.405 0.000 1.622) 11.520 5.260 ( 1.434 0.000 5.842) 6.015 5.384 ( 2.750 0.000 2.744) 3.885 5.515 ( -5.544 0.000 -14.068) 15.121 5.573 ( 5.137 0.000 -5.876) 7.805 5.653 ( 3.959 0.000 5.485) 6.765 5.671 ( -0.984 0.000 -15.837) 15.868 5.836 ( 1.880 0.000 -6.113) 6.395 5.924 ( -6.174 0.000 15.381) 16.574 6.032 ( 0.712 0.000 -0.913) 1.157 6.161 ( -5.396 0.000 2.503) 5.948 6.264 ( -4.704 0.000 1.053) 4.820 6.267 ( 5.090 0.000 21.780) 22.367 6.332 ( -13.801 0.000 1.629) 13.896 6.589 ( -6.704 0.000 -3.206) 7.431 6.624 ( 3.783 0.000 -2.006) 4.282 6.862 ( 4.283 0.000 -1.412) 4.510 7.060 ( 13.148 0.000 0.681) 13.165 7.230 ( 7.859 0.000 -9.237) 12.128 7.270 ( 4.589 0.000 -8.160) 9.362 7.707 ( 3.638 0.000 1.949) 4.127 7.788 ( -6.305 0.000 1.770) 6.549 7.868 ( -1.350 0.000 -0.606) 1.479 8.032 ( 7.436 0.000 2.154) 7.741 8.080 ( 9.183 0.000 -8.346) 12.409 8.243 ( 1.833 0.000 0.240) 1.849 8.259 ( 6.464 0.000 5.188) 8.289 8.351 ( 12.040 0.000 -8.982) 15.022 8.933 ( 7.512 0.000 11.040) 13.354 9.046 ( 11.630 0.000 4.153) 12.349 9.345 ( -10.237 0.000 -3.578) 10.844 9.345 ( 3.929 0.000 1.182) 4.103 9.517 ( -16.362 0.000 -3.578) 16.749 9.570 ( 7.307 0.000 -6.904) 10.053 9.699 ( 9.458 0.000 0.336) 9.464 9.847 ( -3.046 0.000 5.761) 6.516 10.241 ( 2.186 0.000 -1.032) 2.417 10.405 ( 0.406 0.000 -3.310) 3.335 10.438 ( -2.039 0.000 7.365) 7.642 10.592 ( -6.815 0.000 0.395) 6.826 10.675 ( -4.009 0.000 4.315) 5.890 10.939 ( -19.994 0.000 -16.513) 25.932 11.060 ( -7.627 0.000 -3.222) 8.280 11.172 ( -9.669 0.000 -8.281) 12.730 11.248 ( 7.522 0.000 2.557) 7.945 11.259 ( 0.962 0.000 -0.516) 1.092 11.564 ( 1.022 0.000 -1.565) 1.869 11.638 ( -5.080 0.000 3.718) 6.295 11.780 ( 3.953 0.000 -2.882) 4.892 11.781 ( 10.755 0.000 -0.475) 10.765 12.286 ( 13.388 0.000 2.391) 13.600 12.353 ( 4.950 0.000 0.104) 4.951 12.495 ( 2.585 0.000 3.125) 4.055 12.511 ( -0.342 0.000 -4.072) 4.086 12.717 ( -0.577 0.000 2.119) 2.196 12.757 ( -2.183 0.000 -3.001) 3.711 13.023 ( 3.546 0.000 3.715) 5.135 13.326 ( 4.338 0.000 0.386) 4.355 13.334 ( 8.444 0.000 -2.759) 8.883 13.460 ( 17.020 0.000 1.841) 17.120 13.651 ( 6.707 0.000 10.453) 12.420 13.793 ( -0.319 0.000 1.845) 1.873 15.414 ( -2.344 0.000 18.272) 18.422 15.864 ( -0.824 0.000 12.835) 12.862 15.981 ( -35.941 0.000 -2.225) 36.010 16.112 ( -20.671 0.000 -3.408) 20.950 16.189 ( -34.662 0.000 4.480) 34.951 16.783 ( 2.782 0.000 -28.155) 28.292 18.373 ( 5.447 0.000 3.741) 6.608 18.462 ( -1.331 0.000 4.906) 5.084 18.598 ( -1.247 0.000 -1.650) 2.068 18.737 ( -3.161 0.000 7.576) 8.209 18.803 ( -4.578 0.000 -1.558) 4.836 19.048 ( 7.937 0.000 -5.927) 9.906 19.241 ( 3.133 0.000 -0.266) 3.144 19.244 ( -6.939 0.000 4.491) 8.266 19.929 ( 4.642 0.000 3.449) 5.782 19.989 ( 5.883 0.000 -2.658) 6.455 22.052 ( -23.881 0.000 0.751) 23.893 22.919 ( -57.087 0.000 -46.039) 73.338 24.765 ( 5.090 0.000 3.076) 5.947 24.947 ( 5.505 0.000 -5.394) 7.707 25.214 ( 7.208 0.000 7.362) 10.303 25.246 ( 0.708 0.000 -1.873) 2.002 25.669 ( 3.254 0.000 8.147) 8.773 25.859 ( 2.665 0.000 -5.225) 5.865 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.014 ( -6.525 24.461 19.576) 32.002 1.122 ( -3.075 20.590 24.018) 31.785 1.637 ( -11.342 28.126 33.776) 45.393 1.908 ( 4.867 7.413 -10.988) 14.121 2.298 ( 8.580 -2.537 -15.302) 17.726 2.394 ( -6.192 -2.159 3.738) 7.548 2.531 ( 2.825 1.106 -2.307) 3.811 2.871 ( 1.477 1.282 -2.802) 3.417 2.919 ( 1.294 1.399 25.893) 25.963 2.964 ( 0.597 3.222 1.659) 3.673 3.192 ( 5.395 3.994 -0.957) 6.780 3.627 ( -0.200 -4.646 -2.464) 5.262 3.653 ( -4.383 -4.787 4.041) 7.646 3.758 ( -1.770 -4.981 3.682) 6.442 3.864 ( 2.547 0.243 13.288) 13.532 3.949 ( -4.983 0.143 1.009) 5.086 4.002 ( 2.923 -8.375 -0.542) 8.887 4.059 ( 1.641 -5.403 1.086) 5.750 4.091 ( -2.245 -4.761 0.385) 5.278 4.348 ( -1.322 3.348 1.119) 3.770 4.545 ( 0.338 -1.694 -15.604) 15.699 4.670 ( -0.886 -3.402 -11.420) 11.949 5.046 ( -0.950 2.449 -2.644) 3.727 5.189 ( -9.690 -3.108 1.916) 10.355 5.347 ( -0.434 0.878 2.706) 2.878 5.390 ( -0.536 -2.823 -2.252) 3.650 5.525 ( -2.890 -4.400 -3.147) 6.133 5.640 ( -2.671 -2.820 -2.576) 4.660 5.678 ( -1.833 -0.379 0.237) 1.887 5.864 ( -0.024 0.783 -3.461) 3.548 5.893 ( -7.793 4.491 1.120) 9.064 6.046 ( 6.317 2.055 0.460) 6.658 6.114 ( 4.669 2.823 2.314) 5.926 6.176 ( 0.500 0.352 -0.903) 1.090 6.237 ( 2.834 1.678 -0.276) 3.305 6.431 ( -3.155 5.967 14.055) 15.592 6.503 ( -1.788 1.140 -5.707) 6.088 6.694 ( 1.940 -0.380 3.586) 4.095 6.885 ( 4.641 -2.561 4.156) 6.736 7.226 ( -0.221 -0.832 -1.048) 1.356 7.265 ( 3.158 -2.375 -10.004) 10.756 7.472 ( 9.735 -1.975 -0.391) 9.941 7.609 ( -8.631 -11.435 4.424) 14.994 7.632 ( -0.179 -5.057 -1.263) 5.215 7.800 ( -0.382 -1.948 0.428) 2.030 7.906 ( 2.388 -17.388 18.888) 25.784 7.937 ( -4.908 -2.257 4.657) 7.132 8.355 ( -1.868 3.374 0.999) 3.984 8.571 ( 2.522 0.736 -1.240) 2.905 8.704 ( 18.065 0.743 2.888) 18.309 8.938 ( -18.856 -5.306 -4.742) 20.154 9.044 ( 11.313 -10.068 -0.343) 15.148 9.193 ( -0.685 -9.563 0.643) 9.609 9.252 ( -3.531 -10.289 2.327) 11.124 9.267 ( 3.990 -3.932 2.635) 6.190 9.399 ( -10.651 -3.785 0.347) 11.309 9.813 ( 2.444 -4.027 2.350) 5.264 9.866 ( -2.268 -4.438 5.467) 7.398 9.947 ( 3.760 2.584 3.454) 5.722 10.226 ( -1.831 -0.487 -4.435) 4.823 10.332 ( 1.450 -5.870 5.780) 8.364 10.424 ( -3.276 -6.233 3.769) 7.987 10.472 ( 0.314 -2.123 2.321) 3.161 10.795 ( 0.386 8.323 0.310) 8.338 10.876 ( 0.304 -6.439 -10.179) 12.049 11.100 ( -0.092 -3.800 -5.175) 6.421 11.278 ( 1.302 -1.551 1.032) 2.273 11.373 ( 1.039 1.837 1.226) 2.441 11.496 ( -5.609 1.042 3.415) 6.648 11.572 ( 0.024 3.315 4.080) 5.257 11.814 ( 2.254 -1.391 -4.896) 5.566 12.017 ( 2.574 0.835 -11.477) 11.792 12.269 ( 0.434 -5.832 7.305) 9.358 12.420 ( -1.203 -0.218 5.581) 5.713 12.524 ( -0.931 4.705 4.072) 6.292 12.666 ( 1.174 1.997 -5.204) 5.697 12.795 ( 0.673 3.740 -1.004) 3.931 12.813 ( 2.067 5.958 -2.260) 6.699 13.369 ( 2.002 14.900 -3.797) 15.506 13.407 ( -0.429 3.245 -1.457) 3.583 13.503 ( 6.235 4.544 -1.099) 7.793 13.539 ( -14.375 5.073 -1.162) 15.288 13.740 ( -7.432 5.108 10.277) 13.673 14.259 ( 19.882 8.137 -7.688) 22.817 15.436 ( -0.564 4.136 4.446) 6.098 15.513 ( -1.524 4.758 14.873) 15.690 15.634 ( 3.697 3.996 -5.746) 7.915 15.836 ( -1.663 -0.255 6.420) 6.637 16.120 ( -7.663 -0.273 -1.876) 7.894 16.817 ( 1.454 -2.814 -24.761) 24.962 17.658 ( 2.289 -46.754 58.307) 74.772 18.384 ( 2.824 -8.231 1.644) 8.855 18.451 ( -3.332 -4.614 3.129) 6.495 18.623 ( -1.425 -0.099 0.400) 1.483 18.728 ( 0.139 -3.528 -4.405) 5.646 18.928 ( 1.884 -15.737 -4.123) 16.377 19.080 ( -4.264 -4.273 5.954) 8.478 19.329 ( 1.128 2.820 -2.647) 4.028 19.818 ( -1.096 -12.671 3.079) 13.085 19.980 ( 1.045 -7.567 -2.717) 8.108 21.850 ( 0.445 19.880 5.253) 20.567 22.507 ( -3.791 32.532 -33.425) 46.797 24.764 ( -3.792 -12.863 11.908) 17.934 24.930 ( 0.605 -13.305 9.168) 16.169 25.030 ( 0.602 1.175 -4.888) 5.063 25.145 ( 0.814 -12.206 -0.924) 12.268 25.646 ( -2.521 -1.977 5.733) 6.567 25.886 ( 2.127 -2.582 -3.060) 4.533 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.064 ( 20.798 19.141 19.733) 34.472 1.295 ( 16.846 17.841 17.325) 30.037 2.051 ( 38.833 23.978 20.290) 49.946 2.257 ( 20.377 3.676 -11.606) 23.737 2.498 ( 8.631 -0.895 -11.161) 14.138 2.668 ( 3.660 -1.083 7.937) 8.807 2.800 ( 9.203 -0.960 8.106) 12.301 2.915 ( 10.841 -0.281 7.896) 13.415 3.016 ( 16.343 3.857 0.385) 16.796 3.250 ( 27.368 -3.878 3.239) 27.831 3.433 ( -4.655 -3.474 1.560) 6.014 3.568 ( 3.926 -1.550 2.279) 4.797 3.621 ( 9.052 0.057 9.557) 13.163 3.727 ( 16.005 4.212 -2.560) 16.747 3.812 ( -0.179 0.262 13.252) 13.256 4.014 ( 7.764 -5.560 -1.072) 9.610 4.104 ( 5.842 -2.760 1.846) 6.719 4.171 ( 1.762 -2.574 -1.294) 3.377 4.192 ( 11.115 -5.746 -0.508) 12.523 4.353 ( 6.429 0.800 1.660) 6.688 4.631 ( 7.386 -4.505 -11.318) 14.246 4.664 ( 2.517 0.159 -15.757) 15.957 4.925 ( -8.464 4.765 -1.503) 9.829 5.089 ( 0.774 -2.666 3.956) 4.833 5.335 ( -4.206 -3.396 5.098) 7.430 5.392 ( -2.597 -1.388 -6.855) 7.461 5.476 ( 2.225 -3.290 -1.788) 4.355 5.546 ( -0.965 4.110 -0.801) 4.297 5.696 ( 0.025 -3.769 -5.751) 6.876 5.843 ( -0.627 4.462 3.132) 5.488 5.850 ( -1.455 3.038 -3.229) 4.667 6.137 ( -0.459 1.932 2.446) 3.151 6.175 ( 3.815 0.166 4.931) 6.237 6.237 ( 3.210 1.551 2.015) 4.095 6.372 ( 8.116 1.314 8.398) 11.752 6.427 ( 2.466 1.517 4.410) 5.275 6.519 ( 5.506 2.496 -4.597) 7.595 6.709 ( 0.406 -0.389 -0.986) 1.135 6.904 ( -4.580 -1.970 2.640) 5.642 7.094 ( -10.429 -0.116 0.991) 10.476 7.237 ( -5.935 -0.870 -5.752) 8.311 7.374 ( -9.410 -7.689 -12.364) 17.337 7.614 ( 2.314 -5.293 4.370) 7.243 7.703 ( -1.616 -1.515 0.690) 2.320 7.765 ( 0.825 -1.217 -2.122) 2.582 7.844 ( -1.470 -0.522 3.177) 3.539 7.960 ( -3.842 -2.404 1.426) 4.751 8.320 ( -2.503 -0.880 -3.038) 4.033 8.421 ( -5.420 3.591 -2.270) 6.887 8.513 ( -17.022 -1.255 -7.302) 18.564 8.932 ( -9.100 -3.272 7.113) 12.005 8.962 ( -3.475 -3.217 10.957) 11.936 9.234 ( -3.152 -7.469 1.550) 8.254 9.344 ( 6.144 -9.425 -5.737) 12.629 9.431 ( 9.799 -2.423 -0.534) 10.108 9.511 ( 10.106 -1.444 -3.413) 10.763 9.686 ( -4.760 -3.126 -2.702) 6.304 9.923 ( 0.534 -2.683 2.614) 3.784 10.136 ( 3.733 -6.448 0.166) 7.452 10.262 ( 1.807 1.344 1.080) 2.497 10.360 ( 1.400 -3.636 5.479) 6.723 10.565 ( 7.571 -9.995 1.592) 12.639 10.587 ( 15.401 -13.684 4.418) 21.070 10.803 ( -0.550 -4.116 1.652) 4.469 10.956 ( 9.608 2.868 -10.557) 14.560 11.130 ( 3.415 -2.917 -4.996) 6.718 11.217 ( -6.119 -1.131 0.458) 6.239 11.413 ( -0.862 6.975 2.877) 7.595 11.443 ( 3.975 -4.562 0.277) 6.057 11.569 ( 0.074 3.232 1.527) 3.575 11.742 ( -7.885 2.020 -5.536) 9.844 12.015 ( -3.570 1.625 -5.011) 6.363 12.178 ( -8.906 -3.425 3.808) 10.273 12.374 ( 0.818 0.535 5.059) 5.152 12.483 ( -4.342 0.572 -0.142) 4.381 12.667 ( -1.780 1.809 -1.332) 2.867 12.779 ( -2.130 3.139 -0.840) 3.885 12.877 ( 2.772 6.545 -2.406) 7.504 13.133 ( -15.738 6.588 1.065) 17.094 13.304 ( -8.907 11.149 0.483) 14.278 13.384 ( -4.054 1.772 -2.709) 5.187 13.485 ( -7.109 8.119 -0.262) 10.794 13.607 ( -1.646 0.423 5.332) 5.596 14.191 ( -12.559 9.521 -2.811) 16.008 15.581 ( 4.652 5.696 15.444) 17.106 15.784 ( -4.720 3.720 16.370) 17.439 15.981 ( 40.296 0.685 -3.026) 40.415 16.092 ( 22.486 6.820 -1.078) 23.522 16.247 ( 34.892 3.514 1.800) 35.115 16.872 ( 3.210 -1.852 -25.550) 25.817 18.143 ( 17.621 -26.986 17.797) 36.817 18.391 ( -0.024 -9.218 1.771) 9.386 18.467 ( 5.780 -11.117 4.757) 13.403 18.593 ( -1.471 -4.374 1.839) 4.967 18.753 ( 1.499 -6.823 -3.892) 7.996 18.946 ( -1.577 -8.960 -2.067) 9.329 19.020 ( 0.945 -3.480 2.726) 4.521 19.341 ( 1.270 2.276 -0.261) 2.619 19.735 ( -7.036 -11.393 2.865) 13.693 19.963 ( -2.599 -6.870 -1.712) 7.542 22.245 ( 29.014 12.465 4.932) 31.962 22.931 ( 36.949 12.563 -41.140) 56.706 24.679 ( -3.400 -10.650 10.867) 15.590 24.874 ( -4.939 -5.310 8.337) 11.049 25.015 ( -2.358 1.286 -5.052) 5.722 25.168 ( 2.162 -11.790 -1.140) 12.041 25.550 ( -6.471 -1.655 5.331) 8.546 25.913 ( -0.784 -2.881 -2.521) 3.907 ======================= Grid point 71 (29/70) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.632 ( 24.199 12.837 20.874) 34.440 1.766 ( 26.267 10.090 9.217) 29.609 2.485 ( -5.464 0.903 10.427) 11.807 2.553 ( 2.795 2.294 3.645) 5.134 2.666 ( 2.918 -5.872 -3.502) 7.433 2.881 ( 6.174 -0.514 -7.781) 9.946 3.027 ( 19.001 4.890 3.894) 20.003 3.056 ( -8.816 2.530 4.999) 10.445 3.089 ( 12.400 2.703 5.681) 13.905 3.430 ( 18.163 5.542 1.725) 19.068 3.490 ( -0.152 0.021 6.840) 6.841 3.579 ( -2.052 -3.446 4.733) 6.203 3.835 ( 0.242 1.349 13.811) 13.879 4.012 ( 1.130 -2.299 11.241) 11.530 4.084 ( -0.222 2.741 -3.619) 4.545 4.268 ( 8.072 -5.738 0.000) 9.904 4.345 ( 9.968 -8.633 1.220) 13.243 4.465 ( 21.812 -1.833 -4.481) 22.343 4.563 ( 13.656 -0.094 -6.785) 15.249 4.657 ( -3.017 2.456 -3.771) 5.419 4.698 ( 30.458 -4.150 -4.542) 31.073 4.860 ( 21.085 1.060 -7.646) 22.454 5.020 ( 22.467 0.744 -6.541) 23.411 5.113 ( -2.138 -5.780 -0.630) 6.195 5.231 ( 1.978 -4.598 2.612) 5.646 5.386 ( 5.953 3.148 -4.998) 8.386 5.560 ( 3.861 -2.513 -7.146) 8.502 5.576 ( -0.909 3.495 -3.394) 4.956 5.645 ( -1.272 -1.102 -3.642) 4.012 5.763 ( -4.445 0.762 -0.643) 4.556 5.843 ( -0.123 5.532 0.957) 5.616 6.080 ( -5.911 6.683 4.788) 10.125 6.204 ( -5.191 -1.512 6.262) 8.273 6.317 ( 4.072 -0.189 4.264) 5.898 6.386 ( -4.385 3.119 2.261) 5.837 6.478 ( 2.866 2.031 6.627) 7.501 6.660 ( -3.592 -5.851 0.002) 6.865 6.748 ( 3.230 1.287 -0.730) 3.552 6.882 ( 5.762 2.923 -0.324) 6.470 6.932 ( 1.137 -4.911 -7.460) 9.003 7.058 ( -4.561 -1.294 -6.571) 8.102 7.217 ( -6.166 -3.799 -3.790) 8.174 7.561 ( -7.420 -2.169 -4.375) 8.883 7.664 ( -2.118 -2.800 -1.481) 3.811 7.706 ( 1.170 -0.490 0.621) 1.412 7.820 ( -0.976 -0.275 -4.418) 4.533 8.005 ( -0.517 1.819 3.032) 3.573 8.051 ( -11.406 -1.635 -4.246) 12.280 8.208 ( -9.794 2.662 -6.879) 12.261 8.398 ( -8.135 0.404 0.181) 8.147 8.697 ( -5.147 -0.278 7.655) 9.229 8.854 ( -8.579 4.036 3.533) 10.118 9.115 ( -5.586 -2.861 6.233) 8.845 9.376 ( -0.078 -6.915 -0.962) 6.982 9.468 ( -8.355 0.323 -1.305) 8.463 9.586 ( 4.019 -6.644 -5.424) 9.472 9.778 ( 6.146 -5.294 -0.946) 8.167 9.964 ( -0.421 -1.194 -0.970) 1.595 10.105 ( -0.245 2.499 1.752) 3.062 10.205 ( -4.439 4.873 1.483) 6.756 10.482 ( 6.627 -11.688 5.174) 14.398 10.633 ( -3.055 -13.621 -0.702) 13.977 10.777 ( 7.282 -7.000 1.155) 10.167 10.927 ( 9.076 -1.272 2.420) 9.479 11.002 ( -5.124 -1.480 3.371) 6.309 11.220 ( 7.780 -0.534 -0.825) 7.842 11.275 ( 4.335 -2.873 -4.849) 7.111 11.376 ( -5.088 1.029 0.422) 5.208 11.485 ( -0.196 -0.704 -0.914) 1.171 11.572 ( -2.248 7.858 -5.570) 9.891 11.652 ( 4.845 -0.659 -1.927) 5.256 11.877 ( -8.088 8.182 -1.702) 11.630 12.000 ( -3.287 -4.460 3.886) 6.767 12.347 ( -6.218 -1.876 -0.623) 6.524 12.445 ( 0.487 2.436 2.018) 3.201 12.537 ( -5.188 0.688 -1.486) 5.440 12.679 ( -6.710 -4.183 6.486) 10.227 12.893 ( -3.102 4.288 1.018) 5.390 12.987 ( 0.760 2.167 -2.744) 3.578 13.119 ( -3.653 12.041 -0.961) 12.620 13.271 ( -5.680 1.623 -4.364) 7.344 13.350 ( -6.033 4.991 -3.128) 8.432 13.561 ( -2.000 5.395 6.772) 8.886 13.982 ( -6.683 9.769 -1.619) 11.946 15.630 ( -0.660 7.337 19.458) 20.806 15.730 ( 1.001 8.312 13.578) 15.952 16.466 ( 13.475 6.104 -12.312) 19.247 16.792 ( 4.809 2.721 -19.015) 19.802 17.083 ( 49.704 1.974 -2.137) 49.789 17.195 ( 32.916 0.181 0.418) 32.919 18.132 ( -10.073 -5.624 5.333) 12.709 18.381 ( -7.328 -1.442 -0.215) 7.472 18.507 ( -2.609 -8.127 2.182) 8.810 18.690 ( 6.916 -15.805 7.355) 18.754 18.752 ( -1.799 -7.811 -2.804) 8.492 18.902 ( -0.602 -9.048 -1.826) 9.250 19.141 ( 9.609 -4.605 -0.987) 10.701 19.404 ( 3.679 -0.175 1.665) 4.042 19.527 ( -10.821 -6.210 3.465) 12.948 19.870 ( -5.789 -5.138 -0.843) 7.786 23.029 ( 41.923 8.859 8.426) 43.669 23.740 ( 34.460 0.124 -32.342) 47.260 24.482 ( -19.492 3.584 2.938) 20.036 24.856 ( 4.337 -7.031 8.695) 11.993 24.902 ( -7.264 -1.906 -5.144) 9.103 25.269 ( 6.898 -9.069 -1.774) 11.532 25.369 ( -9.114 -2.275 8.222) 12.483 25.808 ( -9.133 -3.875 -3.465) 10.509 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.068 ( 16.769 8.946 19.945) 27.551 2.230 ( -14.782 1.823 19.269) 24.354 2.349 ( 24.097 6.241 2.696) 25.038 2.470 ( -20.798 1.632 3.294) 21.120 2.651 ( 2.700 -1.427 3.430) 4.593 2.667 ( -9.685 1.055 6.787) 11.873 2.959 ( -8.912 -0.264 -11.923) 14.888 3.126 ( 11.068 -3.770 -9.486) 15.056 3.399 ( 1.236 -2.449 9.095) 9.500 3.527 ( -0.975 -5.699 7.251) 9.274 3.687 ( 2.031 -0.494 5.086) 5.498 3.757 ( 0.819 1.642 4.036) 4.433 3.950 ( 2.311 5.181 12.349) 13.590 3.975 ( 12.932 7.612 3.786) 15.476 4.117 ( 0.199 6.075 3.843) 7.191 4.136 ( -15.996 7.750 4.647) 18.372 4.381 ( -1.872 -8.646 0.155) 8.847 4.387 ( 2.274 -4.305 -0.452) 4.889 4.713 ( -6.714 -7.171 -10.761) 14.570 4.871 ( 10.082 -3.757 1.778) 10.905 5.027 ( -3.009 -0.292 -10.852) 11.265 5.090 ( 0.814 1.662 -9.765) 9.939 5.282 ( -3.807 -6.024 0.823) 7.174 5.323 ( 0.318 -8.004 1.717) 8.193 5.329 ( 3.250 -2.734 -1.348) 4.456 5.360 ( -6.718 -0.695 -8.618) 10.950 5.579 ( 3.516 1.181 -5.894) 6.964 5.630 ( 3.447 -0.748 -12.372) 12.865 5.688 ( -11.085 5.956 3.093) 12.958 5.777 ( 6.408 1.330 2.868) 7.146 5.881 ( 5.932 3.183 5.420) 8.643 6.047 ( -4.321 -0.883 3.515) 5.639 6.112 ( 17.143 5.265 -2.426) 18.096 6.345 ( 2.304 5.781 8.799) 10.777 6.358 ( -0.214 -2.457 0.843) 2.606 6.486 ( -9.192 4.776 -3.457) 10.920 6.548 ( -6.221 -1.748 4.395) 7.815 6.640 ( 1.395 -0.366 -1.941) 2.418 6.864 ( -6.903 -3.002 1.000) 7.593 6.982 ( -0.312 -6.709 -5.329) 8.574 7.230 ( 4.397 -2.592 -12.476) 13.479 7.286 ( 5.027 -4.496 0.329) 6.752 7.433 ( 7.716 2.162 -11.871) 14.322 7.554 ( -12.399 4.260 -6.042) 14.436 7.713 ( 3.108 -2.896 2.129) 4.752 7.762 ( 4.048 -0.444 -2.658) 4.863 7.883 ( -8.390 -2.072 1.063) 8.708 7.990 ( -0.937 -1.497 0.085) 1.768 8.129 ( 2.649 0.026 3.124) 4.096 8.265 ( 0.831 6.555 -3.219) 7.349 8.662 ( -0.300 -0.015 6.058) 6.065 8.704 ( -1.168 4.029 3.408) 5.405 9.036 ( -0.871 -1.633 5.253) 5.570 9.320 ( -2.941 -3.166 -0.583) 4.360 9.396 ( 2.339 -1.514 1.793) 3.313 9.644 ( 2.032 -7.730 -3.602) 8.767 9.861 ( 2.871 -3.901 2.060) 5.263 9.955 ( -0.115 -0.447 -2.389) 2.433 10.081 ( -2.144 6.286 0.613) 6.670 10.186 ( 1.110 3.895 -2.733) 4.886 10.501 ( -4.532 -9.413 2.691) 10.788 10.588 ( 0.010 -15.263 0.172) 15.264 10.895 ( 3.660 -6.696 4.180) 8.701 10.954 ( 0.504 -3.422 4.106) 5.369 11.137 ( -7.839 -2.299 1.020) 8.233 11.169 ( 5.576 1.288 0.118) 5.724 11.287 ( 0.535 0.639 -5.063) 5.131 11.365 ( 1.026 -1.631 -1.244) 2.294 11.470 ( 3.394 3.739 2.660) 5.707 11.644 ( -3.299 0.718 -2.027) 3.938 11.659 ( 2.372 5.897 0.022) 6.356 11.749 ( -0.772 12.926 -7.433) 14.931 12.033 ( -0.933 -11.349 2.450) 11.647 12.275 ( -0.631 -0.687 4.611) 4.704 12.319 ( -2.393 -4.941 -5.286) 7.621 12.566 ( -3.872 -1.308 11.408) 12.118 12.599 ( 5.198 -0.540 -3.177) 6.116 12.821 ( 2.136 2.168 3.310) 4.497 13.011 ( -1.535 3.995 -2.668) 5.043 13.156 ( 2.757 4.357 -1.357) 5.332 13.188 ( 0.142 7.876 -6.518) 10.224 13.230 ( -3.024 5.379 -2.880) 6.810 13.551 ( 1.174 8.416 7.156) 11.110 13.888 ( -2.153 7.934 -2.285) 8.532 15.594 ( -2.285 8.274 19.053) 20.897 15.783 ( 3.137 8.679 14.636) 17.303 16.651 ( 4.572 4.009 -20.126) 21.025 16.766 ( -4.714 4.712 -21.261) 22.281 17.672 ( -11.287 -0.881 9.679) 14.895 17.880 ( 6.117 -2.129 1.063) 6.563 17.973 ( -23.019 1.583 0.676) 23.083 18.052 ( 30.484 0.819 0.159) 30.496 18.498 ( -0.330 -6.400 2.910) 7.038 18.697 ( -2.338 -8.713 -3.064) 9.527 18.750 ( -0.086 -8.942 3.260) 9.518 18.914 ( 0.282 -12.625 -2.223) 12.823 19.228 ( -12.331 -5.703 1.310) 13.649 19.388 ( 10.627 -6.928 0.407) 12.692 19.552 ( 6.275 -1.471 3.495) 7.332 19.732 ( -5.601 -1.247 -0.976) 5.820 23.796 ( -21.816 6.597 4.725) 23.276 23.966 ( 20.409 5.540 6.842) 22.227 24.354 ( 15.649 0.405 -18.264) 24.055 24.546 ( -15.796 -0.109 -16.810) 23.067 25.061 ( 2.433 -5.150 11.415) 12.757 25.224 ( 4.239 -5.568 11.845) 13.757 25.421 ( -2.507 -5.738 -4.293) 7.592 25.605 ( -1.062 -6.402 -4.532) 7.916 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.823 ( -23.768 1.425 22.190) 32.547 1.930 ( -23.489 7.489 12.314) 27.558 2.379 ( -3.569 1.565 -1.520) 4.183 2.425 ( 3.351 7.048 13.851) 15.898 2.604 ( -7.551 -2.666 -7.000) 10.636 2.780 ( -2.486 3.886 -5.745) 7.369 2.913 ( 18.131 2.204 -0.651) 18.276 3.209 ( -5.071 -1.221 2.498) 5.783 3.298 ( -33.583 16.022 11.221) 38.864 3.441 ( -10.431 4.124 6.283) 12.856 3.541 ( -5.246 -8.035 8.179) 12.609 3.558 ( 3.398 0.398 1.128) 3.602 3.812 ( -6.478 -3.462 10.248) 12.608 3.953 ( -4.900 -1.114 10.275) 11.438 4.093 ( 1.795 4.982 0.062) 5.296 4.233 ( -7.922 -8.067 -0.359) 11.312 4.341 ( -5.664 -6.771 -1.569) 8.966 4.422 ( -14.896 -6.409 -7.570) 17.896 4.526 ( -16.629 4.167 -4.289) 17.672 4.620 ( -4.285 0.688 -0.882) 4.429 4.766 ( -32.291 -1.929 0.304) 32.350 4.867 ( -16.226 -0.674 -14.490) 21.765 4.960 ( -11.540 2.213 -1.769) 11.883 5.173 ( 0.515 -2.388 2.666) 3.616 5.258 ( 3.838 -8.475 -10.644) 14.137 5.394 ( -3.917 -0.402 0.231) 3.944 5.564 ( 5.696 0.553 -6.842) 8.920 5.672 ( 2.899 5.041 -3.301) 6.687 5.737 ( 1.068 -0.279 -8.672) 8.742 5.788 ( -5.138 -2.839 1.176) 5.987 6.003 ( 3.668 -1.140 3.105) 4.939 6.079 ( -0.130 5.914 7.540) 9.583 6.222 ( -1.659 0.550 1.129) 2.080 6.307 ( -1.345 1.805 2.547) 3.399 6.341 ( -5.873 2.923 9.580) 11.611 6.446 ( 3.328 -1.224 3.703) 5.127 6.562 ( 4.951 -5.032 -2.921) 7.640 6.646 ( -1.807 1.038 1.067) 2.341 6.782 ( 1.322 -0.475 -1.287) 1.905 6.990 ( 5.417 -1.479 -4.985) 7.509 7.057 ( -12.377 1.711 -5.153) 13.516 7.193 ( 0.705 -3.175 -8.550) 9.147 7.596 ( 5.111 -1.063 -0.301) 5.229 7.738 ( 7.126 -1.258 0.107) 7.237 7.802 ( 1.488 -2.791 0.548) 3.210 7.862 ( 3.598 0.195 0.914) 3.717 7.905 ( 16.637 0.569 -5.829) 17.638 8.051 ( 10.670 -1.626 -9.232) 14.203 8.128 ( -5.349 4.421 -3.533) 7.787 8.332 ( 2.658 -4.716 5.232) 7.528 8.768 ( 7.674 1.004 7.471) 10.757 8.800 ( 8.879 2.844 2.582) 9.675 9.111 ( 7.311 -3.810 5.502) 9.912 9.349 ( 3.785 -7.655 -1.637) 8.695 9.496 ( 7.360 1.140 -0.826) 7.493 9.593 ( -8.514 -3.708 -6.203) 11.167 9.818 ( -8.067 2.797 -2.075) 8.787 9.923 ( -4.635 -4.723 1.518) 6.789 10.128 ( 7.757 0.226 0.802) 7.802 10.259 ( 7.086 3.849 -0.045) 8.064 10.420 ( -2.475 -5.245 5.136) 7.747 10.592 ( -1.263 -17.411 1.796) 17.549 10.845 ( -12.592 -1.615 -1.495) 12.783 10.922 ( -2.237 -2.121 5.580) 6.375 10.952 ( -0.652 -8.244 1.248) 8.363 11.243 ( -3.545 -3.308 -2.558) 5.482 11.370 ( 3.384 -3.454 -2.411) 5.403 11.389 ( -1.785 5.831 -1.295) 6.234 11.498 ( 2.581 0.871 -3.112) 4.136 11.566 ( -6.522 -0.560 0.699) 6.583 11.697 ( 7.763 4.155 -3.403) 9.439 11.812 ( 1.286 8.395 -0.866) 8.537 11.975 ( 1.923 -9.802 0.288) 9.993 12.303 ( 3.586 0.143 1.359) 3.837 12.385 ( 5.902 -3.983 -1.373) 7.252 12.486 ( -0.635 1.990 7.370) 7.660 12.790 ( 6.913 5.944 -0.493) 9.131 12.928 ( -2.933 3.755 -4.230) 6.372 12.988 ( 10.083 4.332 4.655) 11.920 13.103 ( 0.154 0.036 -4.606) 4.609 13.283 ( 4.847 4.677 -1.519) 6.905 13.331 ( 9.451 11.368 -1.804) 14.893 13.610 ( 4.172 9.680 6.780) 12.533 13.867 ( -0.689 5.490 -1.703) 5.789 15.540 ( -2.778 7.330 18.708) 20.284 15.860 ( 3.726 8.951 14.669) 17.583 16.553 ( -15.255 4.338 -14.662) 21.599 16.698 ( -2.522 1.528 -21.099) 21.305 16.982 ( -38.916 2.989 1.018) 39.044 17.186 ( -42.146 2.031 1.879) 42.237 18.145 ( 7.936 -5.270 3.282) 10.076 18.434 ( -5.863 -8.049 2.596) 10.291 18.554 ( 6.842 -5.627 0.500) 8.873 18.683 ( 1.084 -4.811 5.524) 7.405 18.757 ( 4.539 -5.423 -3.730) 7.996 18.876 ( -3.270 -13.309 0.646) 13.719 19.020 ( -4.692 -9.114 -0.188) 10.252 19.457 ( -5.862 -0.909 0.968) 6.011 19.666 ( 7.414 -7.580 6.150) 12.257 19.777 ( 7.323 -4.375 -3.855) 9.361 22.930 ( -40.813 11.309 4.430) 42.581 23.860 ( -33.530 -0.913 -27.221) 43.198 24.545 ( 18.886 3.027 4.169) 19.576 24.791 ( 11.810 2.439 -8.138) 14.548 24.967 ( -4.736 -13.612 12.778) 19.261 25.215 ( -8.265 -8.688 -4.303) 12.740 25.479 ( 11.667 -2.940 9.659) 15.429 25.744 ( 6.745 -3.230 -5.956) 9.560 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.295 ( -21.537 12.190 22.325) 33.329 1.438 ( -22.280 10.504 23.297) 33.904 2.042 ( -17.460 4.374 -18.350) 25.704 2.265 ( -29.752 10.927 3.121) 31.848 2.421 ( -20.926 10.310 8.716) 24.903 2.666 ( 3.857 4.375 13.787) 14.970 2.757 ( -5.401 7.218 1.382) 9.121 2.978 ( -11.485 2.454 -0.697) 11.765 3.088 ( -26.294 1.358 5.201) 26.838 3.185 ( -21.514 -3.636 -1.713) 21.886 3.226 ( -11.991 -1.202 7.310) 14.095 3.493 ( 1.206 -3.862 0.683) 4.103 3.711 ( 5.414 -1.963 4.394) 7.244 3.821 ( -7.073 -7.419 9.747) 14.144 3.860 ( -9.423 1.519 2.826) 9.954 3.985 ( -8.747 -5.270 4.309) 11.084 4.067 ( -8.107 0.413 -1.990) 8.357 4.153 ( -7.252 -4.880 -2.277) 9.033 4.224 ( -4.566 -6.707 -1.157) 8.196 4.365 ( -2.879 0.527 1.301) 3.203 4.606 ( -6.140 -2.065 -17.315) 18.487 4.731 ( -4.759 -0.239 -7.970) 9.286 4.923 ( 9.513 4.902 -1.946) 10.877 5.233 ( 1.893 -2.639 1.243) 3.477 5.337 ( 3.556 -3.826 2.466) 5.777 5.445 ( 2.250 -5.294 -8.328) 10.122 5.595 ( -4.084 0.063 -3.422) 5.329 5.605 ( -1.575 -2.052 -7.236) 7.684 5.717 ( 2.228 3.777 0.809) 4.459 5.808 ( 1.121 -2.053 -3.027) 3.826 5.999 ( -4.429 5.305 7.044) 9.868 6.022 ( 0.228 -0.149 1.257) 1.286 6.159 ( -4.770 -0.349 -0.321) 4.793 6.255 ( -3.853 0.777 5.462) 6.729 6.294 ( -4.484 -1.468 5.375) 7.151 6.361 ( -1.179 4.876 7.612) 9.116 6.593 ( -5.495 0.045 -0.784) 5.551 6.626 ( 3.713 0.211 -3.123) 4.856 6.872 ( 1.509 0.959 -0.777) 1.949 7.051 ( 12.957 -0.944 -0.152) 12.992 7.201 ( 3.149 -3.613 -11.704) 12.647 7.262 ( 9.998 -0.179 -1.393) 10.096 7.667 ( 1.521 -4.246 2.307) 5.066 7.751 ( -6.485 -3.187 3.550) 8.050 7.845 ( 1.606 -3.799 3.919) 5.690 7.866 ( -2.709 -9.490 3.955) 10.632 8.137 ( -3.199 0.337 -9.308) 9.848 8.240 ( 8.077 1.523 -1.279) 8.319 8.266 ( 15.297 0.791 1.536) 15.394 8.396 ( 10.521 2.706 -5.020) 11.967 8.884 ( 5.404 -5.156 9.859) 12.369 9.021 ( 7.820 -3.134 3.193) 9.010 9.252 ( 2.293 -6.630 2.334) 7.394 9.351 ( -10.787 -0.952 -2.068) 11.024 9.418 ( -2.046 -10.844 -5.199) 12.199 9.571 ( -10.101 0.457 -5.264) 11.400 9.688 ( 7.531 -0.157 -0.377) 7.542 9.841 ( 0.349 0.884 3.420) 3.550 10.233 ( -5.145 -9.453 1.519) 10.869 10.286 ( -3.938 0.744 0.594) 4.051 10.447 ( -5.507 -14.949 5.323) 16.797 10.457 ( -4.613 -8.494 0.988) 9.716 10.581 ( -9.795 -0.187 1.848) 9.969 10.848 ( -4.997 -0.875 0.387) 5.088 10.916 ( -3.495 -7.547 -4.478) 9.445 11.137 ( -3.020 -5.899 -2.750) 7.175 11.245 ( -3.813 5.196 -6.422) 9.099 11.369 ( 0.025 6.379 0.886) 6.441 11.520 ( 1.471 -4.556 0.461) 4.809 11.663 ( 1.712 -2.550 -0.365) 3.093 11.708 ( -1.807 0.605 4.559) 4.942 11.896 ( 8.509 4.856 -9.741) 13.815 12.161 ( 9.677 -4.767 5.670) 12.187 12.386 ( 3.372 -0.956 1.313) 3.743 12.488 ( 3.290 2.174 6.462) 7.571 12.581 ( 6.737 2.172 -4.464) 8.369 12.790 ( -1.320 4.023 -0.879) 4.324 12.856 ( -4.813 7.143 -3.386) 9.255 13.217 ( 11.065 14.967 -1.809) 18.701 13.297 ( 11.478 -2.558 -1.751) 11.889 13.373 ( 3.346 3.878 -2.069) 5.524 13.631 ( 17.806 15.358 3.241) 23.737 13.723 ( 7.264 7.572 6.048) 12.111 13.817 ( -3.869 3.228 1.942) 5.401 15.482 ( -2.454 6.780 17.046) 18.508 15.863 ( -15.904 0.571 8.734) 18.153 16.051 ( -21.431 5.505 0.015) 22.127 16.119 ( -28.656 2.592 -1.435) 28.809 16.277 ( -27.842 7.463 2.335) 28.919 16.789 ( 1.283 0.429 -26.020) 26.055 18.074 ( -19.831 -33.302 17.181) 42.397 18.330 ( 1.311 -8.336 1.449) 8.562 18.528 ( -3.634 -7.433 4.730) 9.531 18.658 ( -1.647 2.739 -1.535) 3.546 18.771 ( -3.890 -8.503 -2.152) 9.594 18.886 ( 1.976 -10.990 1.141) 11.225 19.082 ( 6.086 -10.832 1.614) 12.529 19.330 ( -3.854 4.493 -0.281) 5.926 19.795 ( 3.537 -11.667 4.383) 12.955 19.917 ( 4.869 -7.451 -3.330) 9.503 22.194 ( -26.087 14.712 2.359) 30.043 23.059 ( -38.333 9.858 -38.465) 55.192 24.788 ( 4.005 1.332 3.713) 5.621 24.878 ( 0.917 -19.685 13.599) 23.943 24.986 ( 3.717 -2.073 -3.217) 5.335 25.131 ( -0.325 -10.233 -2.590) 10.561 25.644 ( 3.309 -2.345 7.644) 8.653 25.840 ( 2.602 -2.128 -5.161) 6.159 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.498 ( -0.280 19.779 15.185) 24.938 1.546 ( -3.520 26.234 8.102) 27.681 2.000 ( 4.953 8.374 -6.923) 11.941 2.195 ( 3.265 6.547 -9.538) 12.021 2.332 ( -4.185 -1.369 6.475) 7.830 2.376 ( -4.038 4.132 2.520) 6.303 2.632 ( 0.911 20.659 9.069) 22.580 2.913 ( -0.732 2.427 -2.857) 3.819 2.966 ( -0.666 3.859 27.211) 27.491 3.052 ( 1.080 6.578 9.529) 11.629 3.241 ( 2.695 1.826 2.550) 4.135 3.496 ( -1.630 -8.127 -0.646) 8.314 3.556 ( 3.046 -3.554 0.809) 4.750 3.661 ( 1.905 -6.140 1.769) 6.668 3.817 ( -0.653 -7.781 -0.642) 7.834 3.867 ( 0.898 -8.058 2.809) 8.581 3.939 ( -6.208 -1.498 0.075) 6.387 3.966 ( 1.564 -0.051 2.512) 2.959 4.034 ( 2.992 0.960 2.822) 4.223 4.399 ( -1.661 0.125 8.682) 8.841 4.488 ( 1.240 -2.242 -11.891) 12.164 4.570 ( -2.620 -5.860 -12.575) 14.118 4.973 ( -4.977 -5.754 -9.856) 12.451 5.199 ( -0.438 -0.393 -8.951) 8.971 5.336 ( 0.554 -3.550 2.853) 4.588 5.352 ( -5.241 -3.020 1.775) 6.304 5.511 ( 0.390 5.448 4.268) 6.932 5.534 ( -1.534 -2.936 2.537) 4.172 5.679 ( -3.904 -1.709 2.601) 4.993 5.868 ( 3.266 0.113 -2.174) 3.925 5.974 ( -2.921 3.871 -1.765) 5.161 6.121 ( 1.973 4.614 -4.752) 6.911 6.175 ( 4.264 3.158 -0.159) 5.309 6.225 ( 1.594 4.065 -3.486) 5.588 6.274 ( 1.089 2.155 -1.063) 2.638 6.490 ( -0.379 -0.585 4.032) 4.092 6.573 ( -3.224 4.806 3.060) 6.546 6.641 ( 5.844 -6.422 9.658) 12.987 6.807 ( 0.173 -3.829 7.393) 8.328 7.160 ( 8.845 -9.381 1.918) 13.035 7.176 ( -4.558 -5.771 14.802) 16.528 7.284 ( -0.339 -3.697 4.767) 6.042 7.437 ( -2.107 -7.611 2.504) 8.285 7.543 ( 7.734 -6.689 10.157) 14.413 7.629 ( -2.378 -3.400 -8.563) 9.516 7.782 ( -1.019 -0.031 1.842) 2.106 7.980 ( -4.912 1.686 -0.748) 5.247 8.391 ( -2.411 0.244 3.044) 3.891 8.595 ( 2.632 0.629 -4.103) 4.915 8.691 ( 8.061 -3.400 -2.575) 9.120 8.795 ( -9.882 -9.668 -6.078) 15.102 8.869 ( 3.963 -5.795 0.797) 7.066 8.955 ( 0.329 -9.011 -0.081) 9.017 9.127 ( 2.681 -4.758 -1.954) 5.801 9.259 ( 0.040 0.370 -1.984) 2.018 9.361 ( -4.112 -1.358 -1.848) 4.709 9.764 ( -0.121 -0.517 -0.119) 0.544 9.817 ( -3.028 -1.978 1.672) 3.984 9.986 ( -1.134 1.030 1.932) 2.466 10.169 ( 0.714 -6.412 0.672) 6.487 10.193 ( 4.416 -6.257 4.757) 9.016 10.292 ( -0.656 -3.332 0.893) 3.512 10.496 ( -3.563 2.548 3.560) 5.644 10.778 ( 0.478 -1.348 -2.272) 2.685 10.945 ( 0.210 3.952 -4.911) 6.308 10.993 ( 0.333 -5.642 -2.770) 6.295 11.230 ( -0.743 -3.640 1.606) 4.048 11.307 ( -1.892 -7.206 -2.497) 7.857 11.554 ( 0.989 5.840 2.663) 6.494 11.675 ( -1.989 4.408 5.403) 7.251 11.805 ( 5.904 0.498 -3.300) 6.782 12.064 ( -1.413 3.272 -9.243) 9.906 12.159 ( 0.228 -4.487 6.058) 7.542 12.413 ( 1.597 -0.913 4.087) 4.482 12.630 ( -0.793 5.961 5.439) 8.109 12.697 ( -0.209 2.760 2.320) 3.612 12.911 ( 0.291 7.811 0.423) 7.828 12.953 ( 1.215 6.728 -2.351) 7.230 13.454 ( 6.304 -3.617 -0.652) 7.298 13.483 ( 0.868 2.166 -1.499) 2.774 13.519 ( -2.715 3.452 -0.037) 4.392 13.681 ( -9.686 3.910 -4.172) 11.248 14.003 ( -6.529 18.075 3.460) 19.527 14.488 ( 15.362 13.224 -8.834) 22.112 15.521 ( -1.761 3.964 2.528) 5.020 15.662 ( 2.288 9.354 13.678) 16.728 15.699 ( -4.737 2.212 -3.019) 6.037 15.876 ( 1.397 4.758 2.953) 5.772 16.113 ( -8.710 -0.241 -1.373) 8.821 16.741 ( 0.276 -4.053 -13.515) 14.112 17.189 ( 8.179 -6.351 42.849) 44.082 18.225 ( 2.316 -8.572 -0.213) 8.882 18.326 ( -2.021 -10.020 -2.990) 10.650 18.428 ( -2.494 -15.908 -4.749) 16.788 18.579 ( -0.812 -3.774 2.335) 4.512 18.758 ( 1.413 -4.801 -1.813) 5.323 19.056 ( -0.101 1.488 8.513) 8.642 19.338 ( 0.134 -3.683 -3.611) 5.160 19.510 ( -1.881 -16.978 4.657) 17.705 19.768 ( 1.565 -12.838 -4.113) 13.571 22.310 ( -0.386 23.873 0.903) 23.893 22.930 ( -2.090 12.469 -29.719) 32.296 24.363 ( -1.805 -17.816 19.628) 26.570 24.818 ( 1.669 -16.962 -2.956) 17.298 24.943 ( 0.825 4.134 1.802) 4.585 25.097 ( -0.388 4.296 -4.006) 5.887 25.590 ( -1.933 -3.757 5.106) 6.627 25.811 ( 1.581 -4.939 -2.920) 5.951 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.550 ( 12.588 26.195 10.315) 30.838 1.661 ( 12.449 19.757 11.630) 26.088 2.311 ( 17.922 1.477 -9.729) 20.446 2.366 ( 10.974 3.004 -4.219) 12.135 2.642 ( 11.436 -0.210 5.145) 12.542 2.724 ( 19.196 12.247 2.303) 22.886 2.832 ( 7.403 11.476 10.525) 17.241 2.919 ( 8.590 5.688 17.679) 20.462 3.108 ( 19.388 4.270 2.065) 19.960 3.216 ( 20.987 -0.334 4.610) 21.490 3.344 ( -4.974 -3.546 1.258) 6.236 3.528 ( 0.225 -3.734 2.464) 4.479 3.646 ( 2.677 -1.016 4.836) 5.620 3.656 ( 24.115 -1.805 5.431) 24.785 3.873 ( 4.035 -6.944 -0.742) 8.065 3.939 ( 8.619 0.293 -0.209) 8.627 3.985 ( 6.454 -8.707 -0.464) 10.848 4.037 ( 7.033 -0.587 4.487) 8.364 4.160 ( 7.212 -2.959 4.022) 8.772 4.367 ( 0.838 -0.725 6.509) 6.603 4.509 ( 1.972 -5.462 -11.471) 12.857 4.647 ( 10.356 -1.969 -13.245) 16.928 4.936 ( 1.536 -3.282 -6.541) 7.477 5.104 ( -7.842 3.574 -5.210) 10.070 5.269 ( -0.776 -3.939 3.556) 5.363 5.413 ( 3.743 -2.303 -0.458) 4.418 5.415 ( -5.793 3.846 3.934) 7.989 5.579 ( 4.205 -1.588 0.118) 4.496 5.670 ( 0.921 2.199 -2.158) 3.215 5.903 ( -0.190 1.964 -4.903) 5.285 5.933 ( -1.144 3.883 0.902) 4.148 6.156 ( -2.278 2.093 -1.538) 3.455 6.198 ( 3.869 2.519 2.364) 5.186 6.309 ( 2.268 4.214 0.780) 4.849 6.358 ( 5.519 -2.545 1.047) 6.167 6.499 ( 2.791 4.201 6.746) 8.423 6.550 ( 1.935 0.399 -2.308) 3.038 6.700 ( 0.219 -0.643 -3.124) 3.197 6.853 ( -3.094 -3.443 1.038) 4.744 7.072 ( -6.239 -2.529 6.283) 9.208 7.164 ( -4.482 -5.333 -1.625) 7.153 7.224 ( -7.740 -5.609 -1.982) 9.761 7.527 ( 5.431 -3.269 0.565) 6.364 7.639 ( -0.694 -4.970 -1.072) 5.131 7.764 ( 5.373 1.250 -2.191) 5.936 7.796 ( 0.527 -2.764 5.930) 6.564 7.956 ( 4.177 1.282 1.741) 4.703 8.259 ( -9.066 -4.968 -0.962) 10.383 8.443 ( -6.220 -3.587 -7.103) 10.100 8.522 ( -8.870 3.105 -1.183) 9.472 8.704 ( -5.132 -10.569 8.530) 14.519 8.880 ( 3.274 -13.745 -4.393) 14.797 9.110 ( 1.350 -2.371 6.020) 6.610 9.245 ( -0.972 0.661 -1.813) 2.160 9.357 ( 4.748 -4.536 -0.294) 6.573 9.459 ( 11.617 -3.290 -5.660) 13.335 9.646 ( -4.252 -0.357 -1.473) 4.514 9.879 ( 2.189 -1.888 -1.748) 3.378 9.991 ( 6.079 -5.998 1.952) 8.760 10.279 ( 4.449 -7.399 3.193) 9.205 10.326 ( 4.276 1.079 3.972) 5.935 10.367 ( 3.762 -2.666 4.117) 6.181 10.450 ( 6.403 -1.754 0.432) 6.653 10.745 ( -1.569 -1.510 -0.997) 2.394 10.983 ( 3.435 -4.815 -4.379) 7.359 11.045 ( 5.251 -0.409 -1.966) 5.622 11.162 ( -6.406 -4.340 -2.083) 8.013 11.312 ( 2.856 -7.441 1.756) 8.162 11.544 ( -2.744 5.277 -1.091) 6.047 11.624 ( -1.873 2.714 4.606) 5.665 11.853 ( -2.507 6.140 -3.924) 7.706 12.022 ( -1.216 -0.115 -5.351) 5.488 12.077 ( -7.138 -4.490 1.747) 8.612 12.400 ( -1.538 -0.008 6.491) 6.670 12.534 ( -6.982 5.365 2.968) 9.291 12.686 ( -1.238 2.121 5.287) 5.830 12.894 ( -2.112 6.905 -1.924) 7.473 13.007 ( 2.172 5.638 -1.049) 6.132 13.222 ( -18.114 2.127 -3.459) 18.564 13.440 ( -4.494 4.639 -2.373) 6.881 13.450 ( -6.177 1.267 0.261) 6.311 13.571 ( -4.723 1.934 2.322) 5.607 13.811 ( -6.506 17.455 0.710) 18.642 14.414 ( -12.003 11.384 -5.705) 17.499 15.742 ( 4.834 10.233 14.781) 18.616 15.917 ( 8.371 9.068 10.556) 16.240 16.019 ( 38.797 3.155 -3.608) 39.092 16.266 ( 27.339 9.893 -2.192) 29.157 16.304 ( 32.105 2.037 2.217) 32.246 16.806 ( 5.116 -4.732 -17.988) 19.291 17.647 ( 28.472 -16.627 24.782) 41.246 18.242 ( -1.529 -12.841 -2.150) 13.109 18.274 ( -2.371 -7.697 -1.518) 8.196 18.368 ( -1.100 -13.617 -4.101) 14.264 18.585 ( 0.215 -4.384 2.423) 5.014 18.821 ( 3.859 -6.643 -1.203) 7.776 19.015 ( -3.267 2.171 7.162) 8.166 19.337 ( -0.282 -3.706 -2.889) 4.708 19.440 ( -4.093 -17.153 3.753) 18.030 19.770 ( -1.237 -11.708 -2.897) 12.124 22.573 ( 23.578 18.718 1.997) 30.171 23.135 ( 21.048 7.627 -27.856) 35.737 24.380 ( 4.132 -14.620 16.480) 22.414 24.867 ( 3.252 -16.873 -2.182) 17.322 24.906 ( -4.988 4.752 2.345) 7.278 25.070 ( -2.511 4.018 -4.989) 6.880 25.504 ( -6.266 -3.068 5.051) 8.613 25.828 ( -1.251 -5.574 -2.636) 6.291 ======================= Grid point 77 (35/70) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.973 ( 16.027 17.964 13.761) 27.730 2.004 ( 23.686 15.261 6.607) 28.941 2.517 ( 3.215 0.093 2.384) 4.004 2.554 ( -2.484 1.106 8.549) 8.971 2.661 ( 2.949 4.877 1.306) 5.847 2.821 ( 2.051 -4.047 -2.730) 5.295 3.000 ( 0.506 -3.151 1.014) 3.348 3.049 ( -14.298 -0.340 4.421) 14.970 3.240 ( 9.895 2.619 6.690) 12.228 3.438 ( 0.594 -5.755 5.172) 7.760 3.523 ( 6.473 2.131 1.054) 6.896 3.705 ( 26.077 19.781 5.444) 33.181 3.893 ( -0.275 1.341 5.150) 5.329 3.975 ( 4.971 -8.965 3.432) 10.810 3.990 ( 1.288 -3.401 3.407) 4.984 4.137 ( 7.141 -5.042 5.118) 10.130 4.246 ( 4.060 -3.903 3.221) 6.487 4.423 ( 23.785 -2.489 -3.759) 24.209 4.531 ( 17.886 -2.859 -2.986) 18.357 4.608 ( 33.887 -3.523 -1.633) 34.109 4.652 ( 10.572 -5.548 0.836) 11.969 4.897 ( 3.810 5.086 -6.566) 9.138 4.972 ( 3.104 -4.464 -5.107) 7.459 5.075 ( 11.713 1.914 -7.476) 14.027 5.199 ( 0.605 2.410 0.707) 2.584 5.411 ( 4.976 -0.170 -1.532) 5.209 5.506 ( 4.031 -1.747 -3.065) 5.356 5.624 ( -4.586 1.128 -5.264) 7.072 5.708 ( 5.350 5.537 -3.938) 8.648 5.827 ( -0.478 4.990 0.231) 5.018 5.948 ( 0.180 4.374 -1.265) 4.557 6.108 ( -3.634 -2.409 5.974) 7.396 6.232 ( -7.367 2.640 0.106) 7.827 6.295 ( 0.157 -0.693 2.031) 2.151 6.444 ( 2.110 -1.085 -1.397) 2.754 6.492 ( -2.696 -1.243 4.732) 5.586 6.574 ( -0.586 -0.182 0.829) 1.032 6.749 ( 5.214 -2.582 -1.434) 5.993 6.834 ( 1.508 -2.068 -3.692) 4.493 6.928 ( -7.731 0.269 -1.375) 7.857 7.031 ( -1.182 -0.430 -5.356) 5.502 7.142 ( 1.064 -2.993 2.586) 4.096 7.517 ( -4.342 -1.889 -6.285) 7.869 7.610 ( -8.780 -2.200 0.606) 9.072 7.716 ( 2.721 1.879 1.173) 3.509 7.815 ( -0.077 -0.122 -3.913) 3.916 7.978 ( -10.788 -4.878 -4.918) 12.820 8.051 ( -0.383 1.938 1.511) 2.486 8.255 ( -8.996 0.640 -4.826) 10.229 8.404 ( -6.020 0.546 -0.058) 6.045 8.695 ( 1.437 0.280 6.513) 6.676 8.899 ( -3.985 -3.414 -1.523) 5.464 9.087 ( -5.249 2.515 5.701) 8.148 9.179 ( 2.545 -11.232 2.031) 11.694 9.350 ( -2.211 -10.359 2.510) 10.886 9.519 ( -4.765 -0.522 -7.061) 8.535 9.702 ( 4.912 -1.468 1.389) 5.312 9.986 ( 2.267 2.202 -3.769) 4.919 10.081 ( 6.400 -6.504 3.192) 9.667 10.293 ( -4.746 3.734 2.071) 6.384 10.329 ( 0.036 -1.163 3.263) 3.465 10.419 ( 0.744 -7.932 2.083) 8.235 10.622 ( 6.007 -7.177 -0.996) 9.412 10.870 ( 9.816 -3.325 1.216) 10.435 10.949 ( -4.979 -4.224 3.761) 7.534 11.178 ( 7.414 -3.402 -6.441) 10.393 11.220 ( 8.313 -2.240 3.195) 9.183 11.344 ( -0.828 -4.595 0.739) 4.727 11.468 ( -2.790 -0.376 -3.904) 4.813 11.611 ( 1.523 -1.386 0.321) 2.084 11.783 ( -1.562 10.113 -6.847) 12.312 11.891 ( -8.622 -5.833 2.380) 10.679 11.958 ( -4.570 0.501 -1.980) 5.006 12.317 ( -7.455 -1.002 1.233) 7.622 12.482 ( 4.037 1.540 6.964) 8.196 12.590 ( -8.805 2.002 -0.958) 9.080 12.714 ( -12.851 7.551 2.094) 15.052 12.943 ( -4.707 1.845 1.453) 5.260 13.072 ( 2.537 5.416 -0.015) 5.980 13.278 ( -6.554 4.241 -3.451) 8.536 13.369 ( -1.446 6.751 0.503) 6.922 13.455 ( -5.534 4.690 -0.758) 7.294 13.726 ( -2.131 11.312 2.409) 11.760 14.204 ( -7.290 11.146 -5.104) 14.263 15.837 ( 3.189 12.882 16.295) 21.015 15.967 ( 0.406 15.309 13.128) 20.171 16.611 ( 12.463 7.253 -10.904) 18.078 16.858 ( 6.130 3.564 -12.735) 14.576 17.144 ( 46.471 4.327 -1.438) 46.694 17.196 ( 36.606 -0.155 0.847) 36.616 18.008 ( -3.318 -6.443 -0.196) 7.249 18.210 ( 2.400 -13.559 -2.276) 13.956 18.336 ( -3.033 -11.522 0.160) 11.915 18.364 ( 10.078 -13.862 1.790) 17.232 18.558 ( -2.533 -6.453 4.029) 8.018 18.829 ( -5.104 -1.231 -2.052) 5.637 19.015 ( 5.731 -6.757 4.887) 10.118 19.263 ( -6.817 -13.054 0.955) 14.758 19.411 ( 1.655 -6.710 1.621) 7.098 19.724 ( -2.673 -8.974 -2.360) 9.656 23.260 ( 37.534 13.618 4.951) 40.234 23.750 ( 32.477 1.062 -21.684) 39.065 24.535 ( 0.836 -2.360 7.970) 8.354 24.696 ( -5.761 -2.433 6.865) 9.286 24.922 ( -10.173 1.862 -6.876) 12.419 25.031 ( 9.379 -13.581 -3.164) 16.805 25.309 ( -11.566 -3.641 7.634) 14.329 25.700 ( -11.176 -6.838 -3.431) 13.544 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.248 ( -1.432 7.170 11.455) 13.590 2.338 ( 0.398 9.690 15.817) 18.553 2.505 ( 5.861 5.962 4.419) 9.457 2.525 ( -1.685 7.296 2.697) 7.959 2.639 ( 1.971 1.132 3.942) 4.551 2.734 ( -7.803 5.299 8.766) 12.877 2.925 ( -2.798 -2.996 -5.284) 6.687 3.020 ( 6.742 -5.951 -6.814) 11.283 3.339 ( 1.838 -3.986 5.898) 7.352 3.370 ( -3.438 -7.863 7.949) 11.698 3.697 ( 3.666 1.466 2.118) 4.481 3.807 ( -3.301 2.909 2.304) 4.967 3.991 ( -0.506 -2.304 3.687) 4.377 4.032 ( 0.545 -10.624 3.786) 11.291 4.141 ( 6.702 -2.716 4.555) 8.546 4.208 ( 0.036 -0.057 7.767) 7.768 4.401 ( 9.859 6.809 -2.017) 12.151 4.432 ( -15.274 13.414 1.025) 20.354 4.603 ( -1.594 -1.649 -4.493) 5.044 4.766 ( 5.169 -6.287 2.822) 8.614 4.995 ( 0.609 -0.985 -6.345) 6.449 5.087 ( -6.462 0.402 -5.610) 8.567 5.151 ( 0.448 -6.273 3.233) 7.071 5.200 ( -4.042 -2.381 3.203) 5.680 5.330 ( 6.150 2.297 -5.643) 8.657 5.392 ( -4.725 2.594 -7.336) 9.104 5.586 ( 5.173 -0.869 -12.216) 13.294 5.607 ( 9.679 -0.864 -11.166) 14.802 5.811 ( 3.495 5.538 4.558) 7.979 5.820 ( -18.772 2.360 0.933) 18.943 5.934 ( -1.612 2.446 3.875) 4.857 6.025 ( 3.544 -1.865 4.014) 5.670 6.194 ( 17.791 2.086 -2.145) 18.041 6.303 ( -1.418 -2.613 0.551) 3.024 6.407 ( -3.131 -1.353 1.415) 3.692 6.506 ( -1.623 -2.353 1.133) 3.075 6.575 ( -13.538 2.367 -2.563) 13.980 6.667 ( 6.248 5.545 1.737) 8.532 6.817 ( -4.227 -1.183 -0.656) 4.438 6.858 ( -0.563 -5.009 -4.765) 6.936 7.162 ( -6.342 -4.989 0.864) 8.115 7.198 ( 6.772 -2.839 -4.794) 8.770 7.435 ( 12.201 -2.141 -6.725) 14.095 7.587 ( -2.990 -5.070 -5.341) 7.948 7.681 ( 0.417 3.508 -4.052) 5.376 7.749 ( 1.979 -0.546 -3.783) 4.304 7.854 ( -5.847 -0.669 3.270) 6.733 7.977 ( -3.276 0.420 -0.710) 3.379 8.138 ( -2.006 1.096 4.110) 4.702 8.406 ( 2.534 6.638 -6.872) 9.884 8.666 ( -0.275 0.739 4.397) 4.467 8.796 ( -1.576 3.759 0.237) 4.083 9.002 ( -1.772 -1.198 5.700) 6.088 9.209 ( -4.307 -7.205 6.191) 10.430 9.325 ( 2.886 -6.534 -1.159) 7.236 9.494 ( 5.048 -5.885 -3.242) 8.403 9.771 ( 3.092 -3.098 6.276) 7.651 10.005 ( -0.205 2.460 -3.330) 4.145 10.198 ( -2.454 4.782 -2.765) 6.044 10.230 ( 0.373 0.606 -2.251) 2.360 10.294 ( 0.112 -9.382 5.033) 10.647 10.369 ( -2.724 -5.656 2.438) 6.734 10.758 ( 4.714 -6.643 2.779) 8.607 10.841 ( -2.385 -7.368 0.462) 7.758 11.075 ( 0.072 -2.583 2.693) 3.732 11.200 ( -0.327 1.423 2.376) 2.789 11.290 ( -2.125 -0.944 -5.202) 5.698 11.359 ( 4.478 0.473 1.215) 4.664 11.490 ( 5.237 -1.108 0.010) 5.353 11.610 ( -4.947 -2.544 -2.970) 6.306 11.783 ( -2.865 -9.458 -1.176) 9.952 11.811 ( 0.621 1.945 -5.185) 5.573 11.898 ( 1.525 2.855 1.148) 3.434 12.204 ( -3.104 -2.578 -4.528) 6.065 12.333 ( -4.526 2.758 -0.114) 5.301 12.528 ( -1.182 -1.665 3.586) 4.127 12.664 ( 5.158 7.529 9.061) 12.860 12.905 ( 3.775 4.861 4.300) 7.508 13.105 ( -3.301 5.463 -1.829) 6.640 13.192 ( 0.081 1.793 -3.757) 4.164 13.350 ( -2.794 6.261 -1.449) 7.008 13.408 ( 4.650 9.960 -1.157) 11.053 13.727 ( 2.382 9.219 4.693) 10.615 14.086 ( -3.695 10.713 -6.377) 13.004 15.835 ( -3.095 15.555 16.136) 22.626 16.019 ( 4.144 14.405 15.097) 21.275 16.745 ( 1.498 4.794 -15.118) 15.931 16.890 ( -2.473 6.973 -15.098) 16.814 17.643 ( -8.802 -1.908 4.097) 9.895 17.834 ( 6.613 -2.591 -2.465) 7.518 17.999 ( -25.338 0.996 0.398) 25.360 18.074 ( 28.634 0.560 -1.530) 28.680 18.296 ( 4.967 -11.706 3.239) 13.122 18.497 ( -3.210 -12.976 -1.897) 13.501 18.533 ( -0.516 -9.294 1.927) 9.506 18.727 ( -1.219 -3.696 -3.606) 5.305 19.057 ( -8.078 -11.123 3.556) 14.199 19.202 ( 6.183 -11.511 3.402) 13.502 19.459 ( 2.323 -8.077 1.808) 8.597 19.669 ( -2.056 -5.417 -2.942) 6.499 23.970 ( -13.427 10.419 3.505) 17.353 24.117 ( 12.347 9.275 4.924) 16.209 24.372 ( 12.713 1.691 -13.030) 18.283 24.552 ( -11.915 0.991 -12.222) 17.097 24.933 ( -0.126 -7.265 9.943) 12.316 25.084 ( 4.370 -8.061 9.972) 13.547 25.261 ( -2.049 -9.927 -3.748) 10.807 25.431 ( -0.743 -10.620 -4.235) 11.457 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.923 ( -17.725 8.985 16.506) 25.833 2.130 ( -18.941 11.375 5.471) 22.761 2.425 ( -7.322 4.672 3.646) 9.420 2.593 ( -7.216 4.463 -3.427) 9.151 2.612 ( 4.946 7.065 11.446) 14.332 2.822 ( -0.393 0.025 -2.510) 2.540 2.978 ( 12.795 4.010 0.054) 13.409 3.132 ( 1.941 -4.838 3.056) 6.042 3.287 ( -4.369 -11.547 5.122) 13.366 3.404 ( 3.662 -4.576 4.760) 7.550 3.586 ( -9.324 5.208 1.942) 10.855 3.771 ( -9.024 -2.184 4.274) 10.221 3.835 ( -23.727 25.070 11.565) 36.403 3.987 ( -9.273 -7.760 1.393) 12.171 4.022 ( -6.101 -1.873 3.985) 7.524 4.063 ( -9.538 -7.599 1.485) 12.285 4.256 ( -5.825 0.503 0.812) 5.902 4.302 ( -7.926 -6.228 2.469) 10.379 4.535 ( -25.814 -3.189 0.842) 26.024 4.664 ( -22.692 2.162 -4.206) 23.180 4.752 ( -20.453 -2.926 2.833) 20.855 4.829 ( 0.532 2.167 -4.760) 5.257 4.998 ( -5.113 -5.072 -6.413) 9.644 5.069 ( -4.435 -2.511 -13.045) 14.005 5.169 ( -1.388 2.465 -1.484) 3.195 5.379 ( -3.204 -0.211 0.362) 3.231 5.559 ( 3.748 -1.609 -6.840) 7.964 5.726 ( -3.765 -0.993 -3.371) 5.150 5.769 ( 4.218 3.266 -5.150) 7.415 5.804 ( -1.334 4.767 -0.032) 4.950 5.983 ( 4.146 -0.242 3.698) 5.561 6.184 ( -0.827 3.463 4.519) 5.753 6.237 ( -5.827 0.416 -3.494) 6.807 6.307 ( -0.190 -3.576 7.531) 8.339 6.353 ( 1.332 0.251 -0.982) 1.674 6.410 ( -4.538 -1.968 -0.755) 5.003 6.518 ( 6.095 0.444 2.199) 6.495 6.672 ( -4.018 1.308 -2.321) 4.821 6.782 ( 4.936 0.753 -0.797) 5.056 6.959 ( 12.261 -0.927 -1.943) 12.449 7.044 ( -8.991 -3.685 1.528) 9.836 7.131 ( -4.231 -1.846 -5.499) 7.179 7.572 ( 2.296 -1.692 -5.157) 5.893 7.706 ( 2.695 -2.714 4.376) 5.811 7.766 ( 0.789 -0.015 -0.945) 1.231 7.856 ( 3.663 -0.936 -0.601) 3.828 7.917 ( 17.695 1.020 -7.995) 19.445 8.020 ( 9.102 -1.317 -4.143) 10.087 8.192 ( 4.491 0.146 -0.963) 4.595 8.254 ( -8.192 -0.743 1.549) 8.370 8.767 ( -1.892 -1.825 6.285) 6.812 8.849 ( 7.356 1.465 0.328) 7.508 9.012 ( 4.086 -6.871 2.704) 8.439 9.173 ( 0.356 -9.243 1.964) 9.456 9.414 ( 3.750 -4.843 0.728) 6.168 9.601 ( 4.257 2.389 -5.060) 7.031 9.834 ( -1.335 -3.027 3.891) 5.107 9.892 ( -9.772 2.975 -6.114) 11.905 10.120 ( 0.618 -1.200 2.822) 3.128 10.283 ( -0.647 -7.165 2.141) 7.506 10.298 ( 2.749 -2.448 1.861) 4.125 10.349 ( -0.732 -2.929 3.447) 4.582 10.750 ( -7.031 -7.347 -3.832) 10.868 10.810 ( 0.770 -4.287 3.815) 5.790 10.930 ( -6.583 1.038 4.211) 7.883 11.131 ( -9.520 -7.073 -5.227) 12.961 11.324 ( 5.184 -2.244 2.060) 6.013 11.459 ( 0.314 1.048 5.429) 5.538 11.533 ( -1.318 -2.860 -3.527) 4.728 11.543 ( -3.478 2.165 -7.989) 8.978 11.735 ( 2.398 -2.797 -0.754) 3.761 11.792 ( 2.494 -1.637 2.898) 4.160 11.944 ( 4.801 2.586 -5.581) 7.803 12.233 ( 4.811 -3.039 -0.988) 5.776 12.432 ( 7.586 4.576 4.587) 9.977 12.549 ( 3.394 3.474 7.687) 9.093 12.842 ( 10.884 1.488 -2.385) 11.241 12.987 ( -2.117 4.422 1.662) 5.177 13.127 ( 4.492 4.131 -0.472) 6.121 13.148 ( 3.396 5.109 -1.712) 6.369 13.386 ( 4.349 5.818 -1.128) 7.351 13.560 ( 9.456 9.717 0.042) 13.559 13.820 ( 5.770 9.887 5.426) 12.668 14.039 ( -0.791 11.776 -7.622) 14.050 15.752 ( -4.138 13.561 15.516) 21.018 16.099 ( 1.649 14.153 14.661) 20.445 16.669 ( -14.215 6.423 -10.436) 18.768 16.739 ( -8.852 2.970 -15.480) 18.078 17.072 ( -34.253 5.598 -0.717) 34.715 17.242 ( -38.686 3.737 1.239) 38.886 18.011 ( -2.168 -7.466 1.095) 7.851 18.159 ( -15.232 -20.497 -1.304) 25.571 18.343 ( 1.031 -9.996 0.543) 10.064 18.478 ( -0.876 -14.852 -0.544) 14.887 18.616 ( 7.568 -6.833 0.483) 10.208 18.793 ( 7.866 4.985 1.832) 9.491 18.875 ( -7.229 -7.029 3.530) 10.683 19.312 ( 2.868 -13.492 1.216) 13.847 19.503 ( 1.513 -10.266 4.189) 11.190 19.654 ( 1.202 -6.488 -4.699) 8.100 23.213 ( -35.755 16.012 2.569) 39.261 23.843 ( -31.930 -0.396 -19.219) 37.270 24.625 ( 13.619 3.136 3.528) 14.414 24.668 ( -10.144 -12.890 12.826) 20.822 24.865 ( 10.932 3.511 -6.508) 13.198 24.994 ( -8.059 -11.693 -3.954) 14.741 25.398 ( 12.992 -5.139 8.361) 16.282 25.652 ( 9.490 -5.932 -5.344) 12.402 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.611 ( -9.213 17.623 16.293) 25.708 1.727 ( -16.940 18.258 10.833) 27.160 2.148 ( -15.417 5.860 -4.153) 17.008 2.326 ( -13.937 4.537 -13.438) 19.885 2.705 ( -2.826 4.052 0.918) 5.025 2.779 ( -9.444 1.360 9.718) 13.619 2.925 ( -20.741 4.463 7.793) 22.602 3.015 ( -21.683 -2.045 3.532) 22.064 3.084 ( -18.147 4.369 7.659) 20.176 3.197 ( -16.590 16.815 12.530) 26.739 3.316 ( -4.856 4.705 2.767) 7.306 3.481 ( -3.962 2.553 1.717) 5.017 3.557 ( -2.376 -6.463 4.741) 8.360 3.626 ( -6.739 -9.745 2.316) 12.073 3.864 ( -10.785 -3.766 2.053) 11.607 3.952 ( -2.993 -4.929 -0.435) 5.783 4.002 ( -7.782 -5.952 2.632) 10.145 4.063 ( -6.074 -0.638 0.675) 6.145 4.094 ( -8.313 -5.071 2.116) 9.965 4.397 ( 1.044 0.967 6.789) 6.937 4.538 ( -6.176 -2.841 -10.349) 12.382 4.706 ( -9.765 -2.667 -9.639) 13.978 4.984 ( 4.372 0.363 -10.315) 11.210 5.140 ( 4.511 -7.924 -9.159) 12.924 5.276 ( 5.806 -0.113 4.593) 7.404 5.417 ( 4.485 3.115 0.695) 5.505 5.508 ( -6.382 -5.369 -2.706) 8.768 5.627 ( -4.362 0.364 -2.606) 5.094 5.777 ( 0.649 1.307 4.340) 4.579 5.795 ( -2.871 2.050 -3.496) 4.967 6.039 ( 0.327 1.896 0.587) 2.012 6.063 ( -2.980 1.615 -0.539) 3.432 6.178 ( -2.664 1.268 -0.654) 3.022 6.264 ( -1.326 -0.403 2.704) 3.038 6.307 ( -3.956 4.272 2.192) 6.221 6.432 ( 2.702 0.426 8.548) 8.975 6.595 ( -4.329 0.634 -4.117) 6.008 6.628 ( 3.302 0.186 0.452) 3.338 6.886 ( -2.237 -0.189 -1.807) 2.882 7.018 ( 9.211 -2.475 -1.574) 9.667 7.097 ( 3.015 -5.930 -1.219) 6.763 7.253 ( 12.296 -0.941 0.800) 12.358 7.527 ( -11.019 -8.118 8.414) 16.066 7.673 ( -5.533 -6.210 4.559) 9.485 7.693 ( -7.944 -2.110 4.352) 9.301 7.815 ( -2.664 -1.793 -3.223) 4.550 8.112 ( -5.170 -1.474 -1.483) 5.577 8.262 ( 14.983 -0.965 1.194) 15.062 8.289 ( 12.975 1.073 -8.616) 15.612 8.436 ( 13.965 1.419 -2.128) 14.197 8.737 ( 3.741 -8.634 3.287) 9.967 8.894 ( -3.799 -10.564 -2.119) 11.425 9.078 ( 0.495 -8.118 5.793) 9.986 9.202 ( -1.277 -8.830 -2.020) 9.148 9.378 ( -6.556 3.469 -0.808) 7.461 9.553 ( -14.541 -1.872 -5.266) 15.578 9.726 ( 3.584 3.622 -1.216) 5.239 9.872 ( 4.300 1.104 -0.323) 4.451 10.045 ( -10.678 -6.127 4.427) 13.082 10.179 ( -3.133 -7.874 1.609) 8.626 10.302 ( -6.964 -3.645 -0.166) 7.861 10.335 ( -1.977 -4.304 3.653) 5.981 10.583 ( -5.532 -0.110 4.387) 7.061 10.776 ( -2.451 -3.332 -1.898) 4.551 10.900 ( 2.967 1.511 -2.970) 4.462 11.009 ( -0.378 -6.470 -1.203) 6.591 11.321 ( -8.792 -0.277 -3.771) 9.571 11.344 ( -2.143 -7.009 -1.934) 7.580 11.504 ( 3.802 3.914 3.855) 6.680 11.648 ( 6.660 0.944 -2.115) 7.051 11.728 ( -1.975 1.308 3.664) 4.363 11.977 ( 9.294 3.871 -4.871) 11.184 12.091 ( 6.008 -2.589 2.249) 6.918 12.335 ( 4.640 -3.200 1.720) 5.893 12.575 ( 4.992 5.280 6.269) 9.597 12.651 ( 4.551 5.612 2.202) 7.554 12.902 ( -0.428 6.865 0.489) 6.896 12.995 ( -3.689 6.685 -2.678) 8.092 13.215 ( 13.017 -4.904 -2.137) 14.074 13.391 ( 8.523 3.999 -0.012) 9.414 13.481 ( 3.930 5.831 -1.917) 7.288 13.784 ( 5.888 0.968 0.973) 6.046 13.966 ( 7.227 12.797 5.210) 15.593 14.083 ( 9.668 21.071 -7.887) 24.488 15.672 ( -3.212 11.869 14.162) 18.755 15.899 ( -25.745 3.090 4.780) 26.367 16.156 ( -22.030 5.290 -0.063) 22.657 16.219 ( -31.235 5.845 -0.442) 31.781 16.471 ( -22.888 11.364 -1.835) 25.619 16.785 ( -3.302 -1.485 -18.813) 19.158 17.448 ( -30.529 -24.127 26.389) 47.017 18.162 ( 3.357 -9.513 -1.289) 10.169 18.354 ( -0.349 -13.541 -2.051) 13.700 18.453 ( -0.828 -12.756 -1.008) 12.822 18.632 ( -2.829 -5.159 -0.414) 5.899 18.767 ( -2.360 -4.438 1.099) 5.145 18.991 ( 6.678 1.532 6.208) 9.246 19.334 ( 0.085 -6.650 -2.130) 6.983 19.524 ( 0.320 -13.849 5.683) 14.973 19.711 ( 3.298 -11.907 -5.177) 13.396 22.571 ( -22.134 20.990 0.957) 30.519 23.214 ( -23.039 5.468 -27.082) 35.974 24.446 ( -6.549 -18.328 18.155) 26.616 24.797 ( 0.307 -11.851 -2.663) 12.151 24.891 ( 3.520 0.915 0.601) 3.686 25.074 ( 3.462 4.639 -3.917) 6.989 25.577 ( 3.732 -4.430 6.645) 8.815 25.774 ( 2.598 -4.456 -4.569) 6.891 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.887 ( 2.700 18.233 4.886) 19.068 2.025 ( -2.133 20.724 0.604) 20.843 2.134 ( 4.748 5.138 -0.164) 6.997 2.272 ( -5.069 0.624 2.007) 5.487 2.304 ( -1.869 5.237 -4.090) 6.902 2.390 ( 4.364 0.385 -0.789) 4.451 2.852 ( 3.058 -7.447 -4.695) 9.319 2.911 ( 1.389 -0.977 -5.112) 5.387 3.054 ( -2.043 4.946 23.343) 23.949 3.217 ( 1.909 0.493 9.070) 9.282 3.416 ( 2.363 4.173 -4.593) 6.641 3.429 ( -3.757 10.103 12.032) 16.154 3.495 ( -1.653 -2.471 1.120) 3.177 3.589 ( -2.105 2.376 2.981) 4.355 3.707 ( 1.365 -4.048 1.678) 4.590 3.743 ( 1.687 0.501 5.330) 5.613 3.818 ( -2.089 -5.908 0.810) 6.319 3.973 ( 0.900 -0.895 5.529) 5.673 4.026 ( 1.671 -0.649 4.865) 5.185 4.308 ( -3.246 -8.363 12.682) 15.534 4.444 ( -3.411 -7.956 -8.568) 12.179 4.555 ( 1.341 8.592 -10.218) 13.418 4.909 ( -4.398 -1.218 -10.551) 11.496 5.131 ( 5.722 -5.403 -5.098) 9.377 5.179 ( 0.012 -11.356 2.139) 11.556 5.268 ( -4.170 -4.027 -5.148) 7.753 5.533 ( -4.296 2.842 8.141) 9.634 5.626 ( -4.529 0.401 8.187) 9.365 5.736 ( 2.377 9.923 -0.892) 10.242 5.898 ( 2.854 3.487 3.127) 5.485 6.047 ( -0.252 2.854 -2.332) 3.694 6.153 ( 2.628 -1.952 -2.212) 3.951 6.266 ( 6.346 5.528 -6.849) 10.851 6.303 ( -1.513 1.028 6.018) 6.290 6.314 ( -2.051 3.265 -5.290) 6.546 6.416 ( 6.506 -2.575 9.097) 11.477 6.563 ( -1.010 0.567 -0.504) 1.263 6.646 ( -1.077 1.800 1.808) 2.769 6.753 ( -2.467 -3.014 0.007) 3.895 6.971 ( 6.904 -8.538 2.949) 11.369 7.125 ( -4.469 -1.206 7.215) 8.572 7.248 ( 7.091 -2.827 -0.415) 7.645 7.292 ( -7.070 -4.812 6.861) 10.964 7.399 ( -0.720 -6.234 3.579) 7.224 7.635 ( 5.319 2.008 -8.906) 10.566 7.810 ( 0.467 2.618 2.706) 3.794 7.992 ( -3.762 -0.713 1.138) 3.994 8.363 ( -0.762 -8.885 -2.884) 9.372 8.412 ( -3.178 -11.143 -4.610) 12.471 8.553 ( -0.766 -5.901 -2.173) 6.335 8.735 ( -0.862 1.557 -3.881) 4.270 8.800 ( -0.430 -0.800 -4.795) 4.881 8.899 ( 7.261 0.073 -0.464) 7.276 9.045 ( 4.457 -3.661 -4.534) 7.337 9.264 ( -2.889 0.229 -2.943) 4.130 9.338 ( -1.568 -1.271 -3.627) 4.151 9.773 ( -4.678 -1.716 3.777) 6.253 9.782 ( -1.196 1.733 -2.391) 3.186 9.953 ( -7.525 -4.477 4.755) 9.964 10.065 ( -0.459 -5.637 2.201) 6.069 10.111 ( 7.440 1.247 0.600) 7.567 10.259 ( 4.096 -1.457 1.447) 4.582 10.558 ( -2.442 3.548 3.946) 5.841 10.784 ( 1.863 1.187 -3.834) 4.425 10.864 ( -2.722 -5.273 -0.194) 5.937 11.014 ( 1.951 1.276 -2.177) 3.190 11.136 ( -0.591 -5.775 2.979) 6.525 11.176 ( -3.188 -4.251 0.701) 5.360 11.671 ( 1.879 5.024 -0.451) 5.383 11.738 ( -2.410 2.290 2.629) 4.239 11.820 ( 5.241 1.074 2.235) 5.798 12.042 ( -2.157 -4.189 4.212) 6.320 12.182 ( 1.211 4.791 -5.460) 7.365 12.383 ( 2.517 -1.968 2.375) 3.981 12.761 ( -0.394 6.717 7.911) 10.385 12.778 ( -1.099 5.281 4.525) 7.041 13.045 ( 0.273 2.849 -2.239) 3.634 13.087 ( -0.133 8.323 1.268) 8.420 13.343 ( 6.748 -6.208 1.610) 9.309 13.468 ( -3.509 -2.670 -1.419) 4.632 13.621 ( -1.495 5.412 -1.162) 5.734 13.739 ( -5.664 2.023 -2.898) 6.676 14.341 ( -3.116 15.507 -0.875) 15.841 14.711 ( 8.625 7.811 -9.175) 14.818 15.589 ( 0.298 2.856 1.841) 3.412 15.698 ( -5.440 -0.631 -0.860) 5.544 15.893 ( 0.085 11.603 7.805) 13.984 15.979 ( 1.284 4.343 -0.142) 4.531 16.122 ( -2.109 1.427 0.140) 2.550 16.636 ( -0.104 -7.676 -10.446) 12.964 17.239 ( 4.796 9.902 32.802) 34.598 17.982 ( -0.272 -11.024 1.841) 11.180 18.179 ( 1.311 -3.209 -4.483) 5.667 18.260 ( -1.736 -5.483 -6.050) 8.348 18.514 ( -0.169 -2.218 3.397) 4.061 18.655 ( 0.275 -5.331 0.265) 5.345 19.002 ( -0.733 -14.242 0.637) 14.275 19.138 ( 1.474 -11.179 -2.012) 11.453 19.261 ( -1.711 -5.583 6.150) 8.480 19.547 ( 0.730 -7.979 -3.820) 8.877 22.745 ( -1.210 19.031 -6.652) 20.196 23.085 ( -1.085 4.414 -23.312) 23.751 24.099 ( -0.374 -8.737 16.315) 18.512 24.477 ( 1.020 -16.441 -0.178) 16.473 25.057 ( 0.890 6.810 2.000) 7.153 25.210 ( -0.638 6.899 -3.538) 7.780 25.496 ( -1.124 -5.689 4.342) 7.244 25.692 ( 0.882 -6.980 -2.767) 7.560 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.991 ( 9.352 17.965 4.762) 20.806 2.099 ( 8.831 21.316 2.623) 23.222 2.329 ( 12.382 4.309 -1.687) 13.218 2.457 ( 11.111 5.319 -6.190) 13.786 2.652 ( 20.698 2.048 3.073) 21.025 2.774 ( 9.044 0.266 -2.501) 9.387 2.938 ( 10.395 -1.035 -0.598) 10.463 3.020 ( 1.463 -3.191 15.089) 15.492 3.157 ( 14.682 0.575 6.482) 16.060 3.329 ( 0.647 0.104 0.731) 0.982 3.350 ( 13.283 6.819 8.679) 17.270 3.436 ( 3.823 -3.358 5.107) 7.209 3.582 ( 11.111 -3.261 -2.985) 11.958 3.705 ( 11.246 -0.957 2.908) 11.656 3.773 ( 9.331 -5.629 2.722) 11.232 3.841 ( 5.930 -2.022 2.338) 6.687 3.899 ( 10.651 1.785 0.722) 10.823 4.048 ( 6.008 7.100 7.550) 11.980 4.091 ( 4.827 -6.430 10.491) 13.217 4.277 ( 0.813 -7.051 8.774) 11.285 4.450 ( 2.122 -2.177 -10.509) 10.940 4.646 ( 10.479 3.351 -8.235) 13.742 4.875 ( 1.441 -2.936 -5.491) 6.391 5.138 ( -1.554 -5.330 0.373) 5.564 5.204 ( 1.463 2.188 -6.537) 7.047 5.348 ( 8.768 -3.091 -4.753) 10.441 5.485 ( -1.369 1.224 6.453) 6.709 5.584 ( 0.208 1.506 2.843) 3.224 5.767 ( 0.924 8.125 -0.947) 8.232 5.912 ( 0.437 0.996 -0.152) 1.098 6.018 ( -3.180 2.884 -1.985) 4.730 6.199 ( -2.435 0.183 1.021) 2.647 6.251 ( -0.412 2.224 -1.635) 2.791 6.302 ( 2.047 -1.659 -2.539) 3.659 6.403 ( 3.262 5.358 -0.323) 6.281 6.503 ( -1.275 -2.457 -0.170) 2.773 6.592 ( 4.125 3.196 5.961) 7.922 6.673 ( 1.072 -2.153 -6.546) 6.974 6.781 ( 0.456 -2.696 0.182) 2.740 7.014 ( -2.511 -3.148 11.951) 12.611 7.106 ( -4.558 -2.688 -5.295) 7.486 7.134 ( -4.853 -1.447 -2.220) 5.529 7.470 ( 12.201 -2.708 0.275) 12.501 7.531 ( 10.505 -4.936 1.119) 11.661 7.761 ( 0.846 0.412 -1.203) 1.527 7.830 ( 2.330 4.046 4.098) 6.213 7.982 ( 4.048 1.037 1.213) 4.351 8.162 ( -13.868 -3.935 0.045) 14.415 8.314 ( -5.099 -8.006 -4.322) 10.430 8.491 ( 6.606 -18.156 -5.972) 20.222 8.569 ( -7.749 0.688 -2.619) 8.208 8.627 ( -10.525 -2.001 -2.492) 11.000 9.103 ( -0.423 0.269 7.385) 7.402 9.227 ( 4.491 -3.621 5.224) 7.782 9.330 ( -3.251 1.711 -7.096) 7.990 9.398 ( 11.330 -2.486 -7.560) 13.846 9.669 ( -0.146 2.439 -1.962) 3.134 9.841 ( 2.367 -1.267 -0.434) 2.719 9.899 ( 5.568 -3.876 0.518) 6.804 10.099 ( 4.891 -8.233 3.803) 10.303 10.341 ( 11.314 0.371 2.163) 11.525 10.371 ( 4.340 1.159 2.576) 5.178 10.491 ( -1.654 4.081 1.869) 4.784 10.747 ( -4.546 1.593 -1.807) 5.145 10.841 ( 2.134 -7.246 -1.166) 7.643 11.053 ( -5.554 -6.167 -4.290) 9.343 11.069 ( 2.414 0.708 1.724) 3.050 11.184 ( 3.355 -4.708 4.013) 7.038 11.620 ( -6.215 2.996 -2.384) 7.300 11.681 ( -2.995 2.548 4.461) 5.947 11.886 ( -0.058 -1.575 3.081) 3.461 11.971 ( -4.158 -3.885 -1.615) 5.915 12.126 ( -5.041 6.818 -4.745) 9.717 12.375 ( -2.507 -1.959 3.505) 4.733 12.667 ( -7.133 6.998 8.349) 13.021 12.748 ( -2.671 3.691 6.263) 7.745 13.018 ( -3.248 4.109 -3.952) 6.561 13.095 ( -0.586 3.663 2.488) 4.467 13.235 ( -12.699 -0.184 -3.447) 13.160 13.409 ( -1.280 -3.519 4.205) 5.631 13.540 ( -5.067 4.972 -1.648) 7.288 13.628 ( -4.616 2.624 -2.585) 5.906 14.150 ( -9.885 15.843 -1.504) 18.735 14.589 ( -12.044 5.166 -7.558) 15.128 15.973 ( 5.569 12.560 11.334) 17.811 16.087 ( 40.978 5.413 0.011) 41.334 16.112 ( 21.206 7.280 4.032) 22.780 16.307 ( 33.252 -0.044 -1.845) 33.303 16.471 ( 26.140 7.551 -2.758) 27.348 16.701 ( 7.913 -5.281 -9.346) 13.336 17.458 ( 17.363 -3.759 24.374) 30.161 17.925 ( -3.771 -11.391 -0.041) 11.999 18.191 ( -1.494 -2.624 -6.667) 7.319 18.212 ( -1.815 -4.989 -4.996) 7.290 18.523 ( 0.340 -1.970 4.411) 4.843 18.683 ( 2.343 -6.713 0.915) 7.169 18.964 ( -2.630 -12.988 0.398) 13.257 19.161 ( -0.036 -14.506 -4.076) 15.068 19.188 ( -4.147 -0.968 6.740) 7.973 19.553 ( -0.140 -9.039 -2.934) 9.504 22.936 ( 19.326 16.871 -4.857) 26.110 23.248 ( 16.715 4.032 -19.598) 26.071 24.148 ( 5.581 -8.345 14.278) 17.454 24.527 ( 4.222 -16.667 -0.483) 17.200 25.025 ( -4.841 6.748 2.766) 8.754 25.178 ( -3.169 6.686 -4.607) 8.716 25.427 ( -5.607 -4.562 4.640) 8.590 25.696 ( -1.809 -7.650 -2.756) 8.330 ======================= Grid point 83 (41/70) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.269 ( 13.074 14.468 0.344) 19.503 2.337 ( 12.623 11.697 6.220) 18.299 2.552 ( 5.936 6.595 0.859) 8.914 2.631 ( 3.082 4.016 -1.210) 5.206 2.748 ( 2.410 1.630 0.703) 2.993 2.805 ( -2.709 4.708 -1.047) 5.532 2.937 ( -4.576 -2.125 7.846) 9.329 3.071 ( -7.405 2.446 4.062) 8.793 3.232 ( 0.844 -1.370 8.812) 8.958 3.325 ( 1.790 -3.175 12.446) 12.969 3.586 ( 5.063 -2.236 -3.412) 6.502 3.696 ( 2.949 -12.318 -0.225) 12.668 3.763 ( 7.032 -7.571 4.870) 11.423 3.904 ( 2.693 -2.744 2.141) 4.400 4.066 ( -1.593 -0.364 9.546) 9.685 4.111 ( 5.514 -7.394 3.126) 9.739 4.250 ( 23.560 11.399 0.076) 26.173 4.382 ( 17.545 3.343 -2.378) 18.018 4.432 ( 16.398 -8.170 8.619) 20.246 4.500 ( 27.314 -5.052 3.659) 28.018 4.607 ( 28.223 3.416 -1.663) 28.478 4.924 ( 8.372 0.744 -1.986) 8.636 4.993 ( 8.838 1.741 -10.284) 13.671 5.172 ( 7.108 7.441 -7.287) 12.609 5.268 ( 4.175 2.197 -2.020) 5.132 5.424 ( -2.505 3.128 0.767) 4.080 5.508 ( 4.782 1.360 -2.203) 5.437 5.626 ( 1.118 -1.257 -3.293) 3.698 5.814 ( 5.616 5.131 -5.382) 9.318 5.909 ( -2.143 2.256 0.538) 3.158 5.998 ( 2.847 0.983 0.483) 3.050 6.082 ( -6.283 0.269 0.625) 6.319 6.232 ( -4.980 -2.788 2.272) 6.143 6.276 ( -7.422 -2.768 -2.071) 8.187 6.376 ( 0.134 -3.112 0.244) 3.124 6.423 ( -4.556 -3.451 1.518) 5.914 6.644 ( -0.669 3.795 -1.629) 4.184 6.704 ( 3.587 0.900 0.325) 3.712 6.798 ( 2.595 -2.571 -5.193) 6.349 6.932 ( -5.647 0.768 -1.006) 5.787 7.040 ( 1.091 0.613 -1.300) 1.804 7.105 ( 3.195 -1.140 1.097) 3.565 7.490 ( -6.885 -0.767 -6.715) 9.648 7.582 ( -13.550 -0.940 3.340) 13.987 7.782 ( -1.472 3.799 1.385) 4.303 7.821 ( 6.391 1.052 -3.670) 7.444 7.876 ( -7.750 -4.092 -3.599) 9.475 8.081 ( 3.346 1.036 -2.349) 4.217 8.213 ( -10.714 -4.307 -3.251) 11.996 8.407 ( -0.898 -1.657 -4.373) 4.762 8.701 ( 10.155 -0.069 5.415) 11.509 8.749 ( 8.814 -7.917 0.097) 11.848 8.976 ( -1.916 -7.035 5.320) 9.026 9.128 ( -7.991 -6.103 -2.649) 10.398 9.246 ( -5.045 4.871 8.629) 11.119 9.492 ( -3.886 -2.094 -3.722) 5.774 9.714 ( 1.494 1.939 -0.580) 2.516 9.940 ( 1.464 -5.803 2.212) 6.381 10.019 ( 7.750 1.019 -3.608) 8.610 10.275 ( 8.702 -6.657 4.068) 11.687 10.345 ( -4.538 1.769 0.058) 4.871 10.371 ( -2.874 2.464 4.040) 5.536 10.553 ( -1.280 0.851 -3.136) 3.493 10.820 ( 13.076 -1.342 -0.191) 13.146 10.842 ( -6.469 -5.897 1.315) 8.852 11.082 ( 13.581 -6.419 -0.760) 15.041 11.193 ( 7.076 -0.970 0.534) 7.162 11.240 ( 1.435 -3.967 1.754) 4.569 11.480 ( -5.787 1.511 -2.695) 6.560 11.598 ( -3.306 -0.427 1.460) 3.639 11.788 ( -9.031 -4.006 1.917) 10.064 11.851 ( -6.096 -3.355 -8.532) 11.010 12.032 ( -2.911 7.456 0.422) 8.015 12.293 ( -5.676 -1.725 3.564) 6.920 12.523 ( -5.089 2.776 7.761) 9.687 12.617 ( -9.725 0.790 3.570) 10.390 12.873 ( -7.391 6.869 -1.233) 10.165 12.977 ( -3.053 1.176 1.017) 3.426 13.181 ( 2.458 5.458 1.412) 6.151 13.338 ( -5.540 1.816 -1.445) 6.006 13.471 ( 0.486 3.553 2.584) 4.420 13.527 ( -4.429 2.647 -1.743) 5.446 13.982 ( -5.350 13.422 -1.533) 14.531 14.374 ( -7.497 4.996 -7.849) 11.948 16.114 ( 6.881 14.362 12.803) 20.434 16.315 ( 1.004 18.757 11.554) 22.053 16.689 ( 9.296 -0.592 -7.871) 12.195 16.921 ( 13.869 2.438 -2.959) 14.389 17.175 ( 33.505 -0.898 -1.403) 33.546 17.276 ( 43.068 7.324 -2.990) 43.788 17.879 ( 11.834 -12.635 3.251) 17.614 17.928 ( 4.830 -4.772 -2.331) 7.179 18.148 ( 0.710 -4.912 -3.805) 6.254 18.182 ( 1.708 -6.994 -3.747) 8.116 18.496 ( -3.869 -0.804 6.112) 7.278 18.744 ( 2.299 -7.371 0.152) 7.723 18.895 ( -3.549 -9.669 1.135) 10.362 19.034 ( -7.381 -4.581 1.644) 8.841 19.206 ( 2.374 -12.342 0.480) 12.578 19.537 ( -1.411 -9.665 -3.261) 10.298 23.545 ( 34.250 14.557 -0.088) 37.215 23.789 ( 31.485 2.829 -12.834) 34.117 24.384 ( 16.363 -8.638 9.815) 20.945 24.693 ( 8.463 -13.093 -0.590) 15.601 24.808 ( -12.516 4.583 2.233) 13.514 25.010 ( -13.463 5.044 -5.770) 15.491 25.227 ( -13.459 -4.375 6.133) 15.424 25.544 ( -13.196 -8.646 -3.368) 16.132 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.409 ( -7.430 9.522 4.891) 13.030 2.510 ( -0.088 5.511 3.060) 6.304 2.580 ( 3.224 5.394 1.603) 6.485 2.680 ( -0.029 2.879 1.872) 3.434 2.747 ( 6.096 9.273 5.171) 12.243 2.813 ( -6.731 0.779 -0.929) 6.840 2.885 ( 5.502 0.553 2.830) 6.212 2.971 ( 0.713 2.790 -2.651) 3.914 3.247 ( -2.282 -3.291 6.870) 7.952 3.304 ( -0.437 1.416 15.640) 15.710 3.654 ( 1.655 -9.332 -1.722) 9.632 3.706 ( -1.154 -14.426 0.481) 14.481 3.870 ( 2.596 -4.907 8.281) 9.969 3.883 ( -3.606 -2.205 4.337) 6.056 4.041 ( -0.644 -4.959 4.780) 6.918 4.207 ( 3.784 -2.887 8.977) 10.161 4.420 ( 0.135 -1.245 -0.391) 1.312 4.531 ( -1.291 -5.613 6.056) 8.358 4.709 ( 1.938 3.969 -6.725) 8.045 4.750 ( 2.659 7.301 -5.078) 9.283 5.047 ( -5.384 2.240 1.587) 6.043 5.076 ( -0.383 5.282 1.937) 5.639 5.199 ( -0.009 9.882 -2.438) 10.178 5.242 ( -5.311 6.326 0.743) 8.293 5.373 ( 12.260 1.119 -6.441) 13.894 5.450 ( -8.872 2.915 -4.798) 10.499 5.561 ( 6.265 -1.254 -11.193) 12.888 5.590 ( 8.459 -0.665 -10.275) 13.326 5.796 ( -15.795 -3.433 2.050) 16.293 5.920 ( -6.945 0.265 4.120) 8.079 5.956 ( 3.409 -0.068 0.895) 3.525 6.002 ( 2.440 2.025 -1.165) 3.378 6.187 ( 13.581 -1.861 2.301) 13.900 6.263 ( -0.816 -2.022 1.884) 2.882 6.352 ( -0.544 -2.169 2.025) 3.017 6.420 ( -3.828 -4.737 0.122) 6.091 6.626 ( -3.366 1.818 -4.196) 5.678 6.761 ( -1.775 -1.843 -6.495) 6.981 6.799 ( 1.589 2.940 -3.088) 4.550 6.847 ( -1.281 4.040 -1.901) 4.645 7.078 ( -6.160 -2.297 5.100) 8.321 7.158 ( 2.588 -1.653 -3.290) 4.500 7.362 ( 8.869 -4.624 -2.659) 10.350 7.446 ( -0.664 -7.650 -4.130) 8.719 7.731 ( 1.528 0.768 -0.961) 1.962 7.785 ( 0.471 3.507 -3.625) 5.066 7.862 ( -3.217 1.894 -1.101) 3.892 7.993 ( -3.211 0.664 -3.660) 4.914 8.175 ( -3.321 2.716 3.255) 5.385 8.485 ( 2.782 0.194 -11.340) 11.678 8.681 ( 0.964 0.259 2.444) 2.640 8.811 ( 0.791 -2.064 -1.952) 2.949 8.992 ( -11.523 -0.377 6.581) 13.276 9.117 ( -2.537 -0.281 9.705) 10.035 9.178 ( 6.386 -6.083 2.315) 9.119 9.394 ( 5.454 -5.097 -2.103) 7.755 9.752 ( 3.468 0.722 5.605) 6.631 9.957 ( 1.635 -6.208 0.185) 6.423 10.204 ( 4.183 -0.382 1.070) 4.335 10.242 ( -1.578 2.664 -1.156) 3.305 10.290 ( -6.744 3.019 -1.460) 7.532 10.322 ( -0.990 -0.399 3.345) 3.511 10.633 ( 6.246 -5.971 0.073) 8.641 10.685 ( -6.111 -7.498 -1.275) 9.757 11.058 ( 3.758 0.954 2.493) 4.610 11.212 ( -2.721 -0.599 0.632) 2.857 11.265 ( -0.590 -0.779 -2.097) 2.314 11.364 ( 4.670 -1.032 3.703) 6.049 11.443 ( 6.576 -2.557 -0.520) 7.075 11.576 ( -8.961 -4.899 -2.940) 10.627 11.591 ( 2.659 -3.209 -2.184) 4.705 11.744 ( -2.557 -6.106 -8.935) 11.120 12.006 ( -0.508 5.427 5.318) 7.615 12.179 ( -3.049 -0.995 3.329) 4.622 12.379 ( -2.039 2.242 -0.311) 3.047 12.499 ( -1.459 -1.355 2.453) 3.159 12.849 ( 2.703 9.179 6.664) 11.660 12.989 ( 5.313 3.298 3.921) 7.381 13.206 ( -5.533 3.845 -2.585) 7.216 13.232 ( 0.578 2.414 -1.748) 3.036 13.458 ( -0.717 4.447 0.414) 4.523 13.543 ( 5.069 3.576 1.529) 6.389 13.931 ( 0.933 11.199 -0.545) 11.251 14.260 ( -2.881 5.627 -9.257) 11.210 16.184 ( -3.748 18.633 12.984) 23.017 16.328 ( 4.341 16.059 14.117) 21.818 16.810 ( 1.230 0.860 -6.409) 6.583 16.991 ( -2.237 1.640 -6.281) 6.866 17.607 ( -2.315 -1.112 -3.326) 4.202 17.775 ( 0.035 -3.340 -7.073) 7.822 17.962 ( -7.411 -5.645 -5.181) 10.660 18.031 ( 6.227 -3.875 -6.996) 10.136 18.168 ( 4.993 -1.106 6.836) 8.537 18.323 ( -0.573 -0.807 6.888) 6.958 18.418 ( 1.360 -2.392 1.311) 3.048 18.724 ( 0.204 0.380 -5.257) 5.275 18.822 ( -4.004 -10.183 1.905) 11.107 18.954 ( 1.331 -12.116 3.841) 12.780 19.245 ( 0.148 -12.473 1.752) 12.596 19.512 ( 0.085 -10.207 -4.490) 11.151 24.192 ( -6.796 11.620 1.867) 13.590 24.317 ( 5.495 10.433 3.220) 12.224 24.428 ( 8.679 4.113 -7.113) 11.951 24.593 ( -6.644 2.909 -5.673) 9.208 24.790 ( -2.746 -6.521 5.674) 9.070 24.917 ( 4.174 -8.490 6.642) 11.559 25.042 ( -0.132 -11.774 -2.677) 12.076 25.201 ( -1.251 -12.109 -3.661) 12.712 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.174 ( -11.038 15.459 6.618) 20.115 2.302 ( -12.505 5.661 0.487) 13.735 2.610 ( -10.753 9.661 2.743) 14.713 2.666 ( 1.213 5.599 0.397) 5.742 2.733 ( -3.845 3.838 -2.980) 6.196 2.791 ( 0.753 -2.511 -1.430) 2.986 3.012 ( 4.104 -1.020 7.404) 8.527 3.079 ( 6.665 0.936 4.418) 8.051 3.175 ( -1.440 0.078 4.109) 4.354 3.312 ( 0.400 -2.430 12.718) 12.954 3.629 ( -3.681 -7.383 0.442) 8.262 3.680 ( -2.553 -10.543 -1.294) 10.924 3.796 ( -5.206 -2.265 7.092) 9.085 3.855 ( -9.919 -3.358 4.862) 11.546 3.970 ( -7.773 -5.497 0.904) 9.563 4.133 ( -16.690 -6.799 0.296) 18.024 4.250 ( -6.683 1.296 10.417) 12.443 4.424 ( -9.705 8.282 2.256) 12.956 4.512 ( -26.300 13.181 7.567) 30.376 4.600 ( -29.206 -9.722 3.490) 30.978 4.692 ( -15.716 -3.661 2.080) 16.270 4.848 ( -3.789 0.178 -4.202) 5.661 4.960 ( -5.219 7.126 -14.588) 17.054 5.097 ( -17.917 1.383 -10.016) 20.573 5.266 ( -1.876 3.298 -0.912) 3.903 5.421 ( 2.531 5.181 -2.548) 6.304 5.515 ( -1.730 -1.833 -5.039) 5.634 5.699 ( -2.312 -1.279 0.058) 2.643 5.827 ( 4.352 2.492 -3.206) 5.952 5.885 ( 0.442 3.270 -1.843) 3.779 6.014 ( 4.044 2.332 0.684) 4.718 6.166 ( 3.801 -4.894 3.210) 6.979 6.207 ( -8.737 -3.060 1.171) 9.331 6.255 ( 0.326 -1.677 0.230) 1.724 6.341 ( 3.681 -1.061 -1.341) 4.058 6.385 ( 1.899 -0.696 0.940) 2.230 6.544 ( 0.662 1.897 0.070) 2.010 6.685 ( -1.738 -0.507 -3.790) 4.201 6.818 ( 2.859 3.072 -1.587) 4.487 6.939 ( 2.456 -1.058 -3.926) 4.750 7.005 ( 2.528 1.343 6.790) 7.369 7.099 ( -6.763 -1.999 -5.936) 9.218 7.523 ( 4.599 -3.022 -4.191) 6.917 7.619 ( 7.432 -5.694 1.988) 9.571 7.787 ( -3.379 0.959 -1.178) 3.705 7.860 ( 4.008 2.668 -3.665) 6.051 7.927 ( 14.291 -0.682 -0.793) 14.330 8.014 ( 5.280 0.844 -4.450) 6.956 8.172 ( 3.937 -0.457 2.047) 4.460 8.267 ( -11.849 -0.237 -7.476) 14.012 8.681 ( -13.303 -5.796 4.252) 15.121 8.845 ( -3.488 -5.581 -1.947) 6.863 8.869 ( 6.569 -2.765 6.603) 9.716 8.995 ( 1.520 -7.600 2.687) 8.203 9.414 ( 11.235 3.797 2.802) 12.186 9.614 ( 9.681 -1.129 -2.399) 10.038 9.828 ( -1.840 2.017 2.160) 3.482 9.909 ( -7.618 -0.680 -5.122) 9.205 10.094 ( -5.036 -1.110 3.362) 6.156 10.214 ( -4.827 0.097 2.049) 5.244 10.248 ( 0.928 -2.869 1.245) 3.262 10.323 ( -0.060 -0.916 1.930) 2.138 10.610 ( -0.272 -5.405 -3.971) 6.713 10.744 ( 4.255 -3.454 1.899) 5.800 10.955 ( -8.471 1.059 4.606) 9.700 10.994 ( -13.885 -5.551 -5.223) 15.840 11.271 ( -1.462 -2.584 1.629) 3.387 11.432 ( -2.202 -4.246 4.732) 6.728 11.490 ( 3.971 -0.954 -1.313) 4.290 11.532 ( 0.611 -1.498 -1.618) 2.287 11.708 ( 6.719 1.401 -6.943) 9.762 11.794 ( 8.579 -0.129 1.132) 8.654 11.996 ( 1.932 2.796 -0.356) 3.417 12.180 ( 2.500 -2.863 2.679) 4.650 12.514 ( 7.451 3.245 4.490) 9.284 12.586 ( 11.823 0.246 5.449) 13.021 12.924 ( 3.957 6.687 -0.216) 7.773 13.088 ( -0.918 5.163 1.655) 5.499 13.177 ( -2.114 1.214 -1.776) 3.016 13.223 ( 8.142 1.828 1.017) 8.406 13.504 ( 4.024 5.808 -0.021) 7.065 13.674 ( 6.546 2.074 1.482) 7.024 14.019 ( 6.856 10.464 0.581) 12.524 14.259 ( 3.308 8.228 -10.592) 13.814 16.056 ( -6.462 16.300 11.901) 21.192 16.385 ( -3.467 13.882 12.244) 18.832 16.715 ( -8.685 -1.467 -4.977) 10.117 16.870 ( -14.747 7.912 -6.661) 18.012 17.143 ( -29.613 0.290 -2.173) 29.694 17.354 ( -34.755 6.381 -2.375) 35.415 17.745 ( -27.797 -13.649 4.317) 31.267 17.927 ( 0.923 -1.705 -3.715) 4.191 18.187 ( -7.767 -6.154 0.057) 9.909 18.239 ( 3.652 -9.627 -5.616) 11.728 18.514 ( 4.196 -2.993 3.731) 6.362 18.726 ( -3.862 -7.856 4.112) 9.672 18.882 ( 8.021 -1.385 -0.935) 8.193 19.015 ( 3.493 -11.432 0.951) 11.992 19.236 ( 0.295 -13.904 1.131) 13.953 19.528 ( 0.458 -7.021 -3.390) 7.810 23.533 ( -31.643 15.536 -1.576) 35.286 23.857 ( -31.832 1.899 -11.593) 33.931 24.401 ( -15.797 -11.087 10.104) 21.784 24.649 ( -8.883 -10.990 -0.524) 14.141 24.795 ( 10.364 3.743 1.778) 11.162 25.006 ( 15.061 6.496 -4.630) 17.043 25.281 ( 14.138 -6.371 6.541) 16.831 25.515 ( 12.480 -7.625 -4.551) 15.317 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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 ( -7.594 18.865 4.039) 20.733 2.063 ( -7.179 13.298 3.576) 15.529 2.298 ( -16.600 9.782 3.298) 19.548 2.466 ( -13.529 8.336 -8.142) 17.855 2.677 ( -12.744 -5.726 -1.520) 14.053 2.769 ( -1.343 0.529 -3.195) 3.506 2.881 ( -25.617 -3.520 2.231) 25.954 3.060 ( -17.047 -0.083 -2.811) 17.278 3.107 ( -1.836 4.742 21.814) 22.399 3.315 ( -11.838 -5.320 6.338) 14.444 3.333 ( 3.928 -1.651 -0.479) 4.288 3.441 ( -7.107 -5.763 5.173) 10.511 3.597 ( -7.397 4.255 2.391) 8.862 3.688 ( -3.981 -8.753 2.190) 9.862 3.804 ( -8.744 -0.292 7.033) 11.225 3.837 ( -13.194 -1.206 -1.305) 13.314 3.955 ( -9.602 2.252 6.586) 11.859 4.020 ( -2.741 2.942 4.313) 5.896 4.063 ( -14.622 9.115 3.769) 17.638 4.367 ( -1.627 -4.698 17.231) 17.934 4.536 ( -0.970 0.567 -6.333) 6.432 4.640 ( -13.650 -2.192 -11.366) 17.897 4.958 ( 6.742 -9.305 -2.042) 11.671 5.004 ( -1.690 3.203 -17.030) 17.411 5.218 ( -1.624 -8.045 3.258) 8.830 5.395 ( -6.997 -5.761 -9.212) 12.924 5.527 ( 5.112 6.711 0.434) 8.447 5.674 ( 0.010 4.925 4.823) 6.893 5.822 ( -3.299 3.636 3.835) 6.230 5.847 ( -4.026 3.402 0.817) 5.334 6.064 ( -1.420 0.356 0.872) 1.703 6.127 ( 2.978 1.739 -2.632) 4.338 6.148 ( -0.530 -1.213 0.008) 1.324 6.294 ( 2.570 1.740 -0.770) 3.198 6.366 ( -0.350 -1.352 8.695) 8.806 6.416 ( -2.542 2.664 -2.761) 4.602 6.608 ( -1.563 0.586 -2.172) 2.739 6.649 ( 1.135 1.358 -2.758) 3.277 6.841 ( -2.187 -4.129 -2.981) 5.543 6.953 ( -5.264 -3.875 -1.217) 6.649 7.024 ( 10.241 -0.527 1.517) 10.366 7.223 ( 10.692 -2.198 3.556) 11.481 7.428 ( -17.830 -1.743 4.977) 18.593 7.575 ( -6.942 -4.086 1.028) 8.121 7.669 ( -11.350 -0.489 -0.071) 11.361 7.788 ( 1.106 -0.893 0.158) 1.430 8.091 ( -4.623 -1.065 0.056) 4.745 8.217 ( 12.130 -3.796 2.520) 12.957 8.269 ( 16.128 -2.227 -10.389) 19.313 8.430 ( 9.448 -4.308 -4.217) 11.207 8.582 ( 5.524 -4.563 -3.356) 7.912 8.676 ( -2.648 -8.023 -1.405) 8.565 8.979 ( 0.356 -2.562 7.194) 7.645 9.073 ( 0.769 -4.762 -0.041) 4.824 9.458 ( -8.555 3.894 -2.862) 9.825 9.518 ( -15.343 -1.161 -6.141) 16.567 9.811 ( 0.538 4.434 -1.465) 4.701 9.866 ( 2.955 -1.109 0.737) 3.241 9.988 ( -3.341 -1.143 0.676) 3.595 10.058 ( -3.534 -4.896 1.531) 6.229 10.197 ( -9.341 -3.961 2.254) 10.394 10.283 ( -4.726 -2.827 2.935) 6.240 10.588 ( -0.727 1.076 3.095) 3.356 10.753 ( -1.625 0.394 -3.663) 4.027 10.864 ( 2.421 -5.324 -1.020) 5.937 10.931 ( 5.043 -1.306 -0.032) 5.210 11.207 ( -3.533 -4.800 2.416) 6.431 11.273 ( -8.426 -3.846 0.450) 9.273 11.588 ( 5.283 3.627 0.743) 6.451 11.665 ( 7.567 0.438 0.115) 7.581 11.774 ( 0.251 3.346 1.172) 3.554 12.012 ( 7.136 -1.973 5.813) 9.413 12.085 ( 5.260 3.092 -5.831) 8.439 12.275 ( 6.079 -2.858 1.557) 6.895 12.679 ( 6.914 5.196 7.111) 11.196 12.780 ( 2.710 6.273 4.930) 8.426 13.023 ( 4.798 3.288 0.486) 5.837 13.093 ( -2.997 1.093 -2.366) 3.971 13.152 ( 7.590 2.427 -0.947) 8.025 13.421 ( 6.767 -0.832 0.950) 6.883 13.593 ( 3.487 5.606 -1.088) 6.691 13.787 ( 2.396 -0.422 0.282) 2.449 14.211 ( 10.241 11.673 0.841) 15.552 14.422 ( 12.117 11.494 -10.409) 19.680 15.931 ( -5.705 13.477 9.943) 17.693 15.987 ( -29.910 5.732 2.289) 30.540 16.257 ( -30.265 4.306 1.686) 30.616 16.319 ( -27.993 4.143 -0.756) 28.308 16.603 ( -35.033 -2.529 -9.207) 36.311 16.717 ( -9.859 -4.919 -8.953) 14.197 17.233 ( -8.411 4.883 27.315) 28.995 17.946 ( 2.185 -9.535 1.053) 9.839 18.150 ( 1.263 -5.183 -3.403) 6.327 18.280 ( 0.161 -7.101 -5.462) 8.960 18.534 ( -1.108 -3.470 2.648) 4.503 18.667 ( -1.467 -5.416 1.960) 5.943 18.988 ( 2.265 -12.048 1.021) 12.301 19.091 ( 3.011 -8.690 -1.498) 9.318 19.262 ( 1.285 -10.344 4.136) 11.214 19.532 ( 0.391 -6.076 -3.698) 7.124 22.968 ( -18.947 17.983 -5.088) 26.614 23.292 ( -18.111 2.799 -19.748) 26.941 24.162 ( -6.341 -10.109 14.750) 18.973 24.489 ( -3.062 -15.812 -0.456) 16.112 24.996 ( 5.342 6.947 1.921) 8.972 25.195 ( 3.303 7.000 -3.506) 8.497 25.470 ( 4.039 -6.153 5.455) 9.161 25.666 ( 2.588 -6.398 -3.847) 7.902 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.153 ( -0.284 8.133 1.973) 8.373 2.227 ( 3.435 5.707 1.670) 6.868 2.279 ( 1.275 -3.572 0.676) 3.853 2.284 ( 1.637 3.424 -0.699) 3.859 2.416 ( -0.647 7.953 -4.814) 9.319 2.527 ( -2.506 7.199 -5.468) 9.381 2.635 ( 3.004 -3.912 -2.864) 5.703 2.834 ( 1.895 -8.848 -10.402) 13.787 3.172 ( -1.200 6.830 13.605) 15.270 3.265 ( 2.271 3.138 9.566) 10.320 3.315 ( 1.477 -6.069 4.751) 7.847 3.350 ( -0.988 -6.296 5.884) 8.674 3.568 ( 6.328 2.191 0.253) 6.701 3.626 ( 1.275 -3.795 -0.006) 4.003 3.661 ( -6.434 -0.180 2.620) 6.949 3.708 ( 1.287 -4.329 5.437) 7.068 3.853 ( -3.450 7.460 5.688) 9.996 3.965 ( -3.933 6.011 8.198) 10.900 4.077 ( -2.036 -8.972 5.764) 10.856 4.207 ( -2.553 -11.099 4.517) 12.252 4.407 ( -1.688 21.676 5.580) 22.447 4.732 ( 1.927 6.651 -5.120) 8.611 4.818 ( -3.524 -11.489 2.897) 12.362 4.907 ( 1.979 -10.834 0.113) 11.014 5.111 ( 5.546 2.925 -13.051) 14.479 5.192 ( -0.281 -4.091 -9.760) 10.586 5.602 ( -8.023 3.494 10.572) 13.723 5.641 ( -5.764 0.082 11.347) 12.727 5.897 ( 3.760 6.696 -0.634) 7.705 6.000 ( 1.847 5.467 4.408) 7.261 6.041 ( 3.151 -7.302 2.299) 8.279 6.073 ( 0.068 -1.015 0.867) 1.337 6.328 ( 1.965 2.348 -1.070) 3.243 6.356 ( 1.828 0.119 -3.735) 4.160 6.393 ( 2.864 6.110 -5.025) 8.413 6.442 ( 3.086 2.554 -2.285) 4.611 6.578 ( -3.113 0.165 -9.612) 10.105 6.658 ( -4.847 -6.224 -3.721) 8.722 6.686 ( 3.273 4.004 0.430) 5.189 6.807 ( 6.204 -7.573 -2.938) 10.221 7.114 ( -3.031 0.639 9.974) 10.444 7.166 ( -4.640 -4.166 8.469) 10.517 7.267 ( 3.123 1.248 3.390) 4.775 7.312 ( -1.075 -2.895 1.670) 3.511 7.713 ( 6.272 6.237 -7.765) 11.770 7.842 ( 5.769 -2.699 -1.137) 6.469 7.962 ( -4.899 0.031 0.802) 4.965 8.065 ( -4.031 -10.667 -7.378) 13.581 8.390 ( -3.936 1.261 2.871) 5.032 8.445 ( -3.769 -4.270 0.657) 5.733 8.773 ( 0.080 1.595 -5.563) 5.787 8.792 ( 1.492 -0.471 -6.273) 6.466 8.922 ( 6.681 2.100 -4.178) 8.155 8.976 ( 5.183 -3.250 -5.517) 8.238 9.275 ( -3.357 1.010 -3.501) 4.954 9.305 ( -1.848 -1.843 -4.378) 5.097 9.766 ( -2.545 1.492 4.437) 5.328 9.812 ( -2.696 -1.158 -0.127) 2.937 9.886 ( -6.058 0.707 4.445) 7.547 9.961 ( -3.772 -4.970 0.610) 6.269 10.166 ( 6.447 3.240 1.543) 7.379 10.222 ( 6.026 -2.318 2.007) 6.761 10.637 ( -1.415 4.410 2.294) 5.169 10.732 ( -0.527 -5.078 -1.057) 5.214 10.865 ( 0.054 3.918 -0.503) 3.950 10.961 ( 1.789 -5.356 -2.006) 5.993 11.090 ( -2.187 0.827 3.999) 4.632 11.120 ( -2.031 -2.002 3.696) 4.668 11.742 ( 1.962 2.200 -0.561) 3.000 11.763 ( 0.572 0.047 -0.702) 0.907 11.866 ( 0.369 3.698 5.630) 6.746 11.953 ( -1.676 -4.672 4.206) 6.506 12.272 ( 2.244 3.942 -2.283) 5.078 12.337 ( 2.663 -2.683 0.623) 3.832 12.866 ( -1.689 4.189 6.467) 7.888 12.890 ( -0.945 3.278 5.300) 6.304 13.074 ( 1.616 1.829 1.883) 3.082 13.156 ( 4.189 -4.101 6.259) 8.576 13.299 ( -0.589 4.374 -2.760) 5.206 13.397 ( -2.887 -4.395 -2.247) 5.718 13.712 ( -2.055 3.503 -1.961) 4.510 13.754 ( -3.437 -0.618 -2.552) 4.325 14.611 ( 0.099 11.302 -4.640) 12.218 14.761 ( 3.519 -2.989 -7.878) 9.131 15.637 ( 0.378 2.092 0.437) 2.170 15.674 ( -2.657 -1.652 -0.675) 3.201 16.031 ( 0.352 2.279 -1.548) 2.778 16.052 ( 0.040 1.342 -1.429) 1.961 16.219 ( 0.809 9.870 6.699) 11.956 16.440 ( -0.355 -11.190 -0.505) 11.207 17.527 ( 0.486 17.131 21.361) 27.386 17.813 ( -0.282 -9.668 10.853) 14.537 18.150 ( 1.000 -0.030 -6.394) 6.472 18.177 ( -0.327 -2.828 -6.994) 7.551 18.510 ( 0.199 1.837 2.029) 2.744 18.561 ( 0.050 -3.544 0.657) 3.604 18.726 ( 0.203 -6.772 -1.876) 7.029 18.831 ( 0.822 -14.737 -4.630) 15.469 19.306 ( -0.482 5.307 3.629) 6.447 19.419 ( -0.384 -5.853 -0.755) 5.914 23.035 ( -1.283 9.541 -15.470) 18.221 23.126 ( -0.901 -0.484 -19.981) 20.007 24.031 ( 0.321 2.384 13.755) 13.963 24.186 ( 0.652 -12.219 6.901) 14.048 25.204 ( 0.447 7.761 2.561) 8.185 25.337 ( -0.340 -0.658 0.026) 0.741 25.392 ( -0.371 1.650 0.378) 1.733 25.539 ( 0.167 -8.216 -2.701) 8.650 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.263 ( 8.864 10.291 2.148) 13.751 2.370 ( 7.460 4.961 -3.048) 9.463 2.487 ( 11.393 4.496 -8.264) 14.776 2.526 ( 8.800 0.160 -3.288) 9.396 2.715 ( 10.226 2.604 -2.754) 10.905 2.769 ( 15.272 1.447 -0.638) 15.354 2.861 ( 26.114 4.310 1.834) 26.530 3.080 ( 16.488 -4.881 0.467) 17.202 3.136 ( 3.095 2.856 11.775) 12.505 3.262 ( -4.120 -5.045 4.703) 8.034 3.336 ( 3.662 -1.319 4.471) 5.928 3.397 ( 10.234 -3.280 2.787) 11.102 3.524 ( 3.136 0.191 2.855) 4.246 3.595 ( 0.828 -6.553 5.868) 8.836 3.755 ( 10.642 2.345 5.896) 12.390 3.849 ( 5.519 -4.346 3.630) 7.907 3.859 ( 3.507 1.746 8.844) 9.673 3.956 ( 2.723 -4.506 9.939) 11.248 4.158 ( 9.661 1.260 2.428) 10.041 4.281 ( 7.847 -5.523 -2.757) 9.985 4.513 ( 12.030 18.036 0.876) 21.698 4.766 ( 2.367 7.464 -1.279) 7.934 4.786 ( 3.623 -7.236 -1.057) 8.161 4.956 ( 3.848 -11.247 1.865) 12.032 5.269 ( 6.651 2.817 -10.403) 12.665 5.308 ( 11.063 -1.382 -8.949) 14.296 5.518 ( -0.766 2.572 5.587) 6.198 5.575 ( -1.282 -2.361 4.771) 5.476 5.943 ( -0.854 7.323 -0.307) 7.379 5.972 ( -0.705 5.180 2.684) 5.877 6.029 ( -3.260 -1.260 2.633) 4.376 6.121 ( 1.195 -6.602 2.009) 7.003 6.286 ( -4.287 1.741 -3.120) 5.581 6.309 ( -4.260 0.138 -4.341) 6.083 6.472 ( -2.417 1.375 -2.415) 3.683 6.501 ( -3.896 1.323 -4.327) 5.971 6.598 ( 4.463 -0.785 -4.946) 6.708 6.638 ( 7.426 -2.312 -2.315) 8.115 6.797 ( 2.544 5.100 2.179) 6.101 6.920 ( 0.571 -6.029 4.743) 7.692 7.092 ( -1.554 1.323 -2.016) 2.868 7.124 ( -4.340 -1.074 0.979) 4.577 7.432 ( 17.072 -0.318 1.262) 17.122 7.459 ( 15.367 -2.504 1.605) 15.652 7.810 ( -3.718 4.477 -2.606) 6.376 7.886 ( -3.642 -0.381 0.805) 3.749 8.003 ( 7.455 1.936 1.961) 7.948 8.092 ( -2.068 -5.485 0.801) 5.916 8.170 ( -1.894 -4.378 -8.658) 9.885 8.203 ( -5.358 -6.874 -2.747) 9.138 8.585 ( -10.189 1.101 -3.528) 10.839 8.610 ( -10.929 -1.085 -3.113) 11.415 9.117 ( -1.726 1.295 7.932) 8.220 9.158 ( 0.745 -2.887 7.423) 7.999 9.348 ( 4.233 0.373 -10.917) 11.715 9.364 ( 8.499 -1.187 -10.875) 13.853 9.739 ( 1.890 4.271 0.517) 4.700 9.822 ( 3.263 -3.865 1.410) 5.251 9.859 ( 4.470 3.032 0.958) 5.486 9.956 ( 4.275 -6.272 1.978) 7.844 10.359 ( 10.238 1.179 2.297) 10.559 10.377 ( 7.016 -0.440 2.005) 7.310 10.587 ( -1.424 5.477 1.099) 5.765 10.704 ( -0.124 -6.249 -1.031) 6.334 10.810 ( -5.413 4.384 -0.529) 6.986 10.920 ( -6.182 -6.440 -1.264) 9.017 11.088 ( 2.775 1.229 2.323) 3.822 11.121 ( 2.698 -2.149 4.244) 5.469 11.678 ( -6.674 2.740 -0.704) 7.249 11.709 ( -5.121 0.005 2.421) 5.664 11.863 ( -2.170 -0.080 3.114) 3.797 11.896 ( -3.651 -3.242 -1.112) 5.007 12.250 ( -3.440 5.126 -1.356) 6.320 12.328 ( -2.832 -2.894 1.721) 4.400 12.782 ( -6.861 4.099 10.252) 12.999 12.812 ( -6.051 1.567 6.651) 9.127 13.056 ( -3.846 1.663 -2.135) 4.703 13.112 ( -7.813 -2.673 0.507) 8.273 13.267 ( -1.011 3.784 -0.224) 3.923 13.341 ( 0.092 -3.350 2.282) 4.055 13.622 ( -5.317 3.021 -2.014) 6.439 13.654 ( -5.078 -0.111 -2.759) 5.780 14.428 ( -11.125 11.795 -4.505) 16.828 14.596 ( -11.857 -4.473 -7.033) 14.493 16.166 ( 40.108 2.952 -1.229) 40.235 16.198 ( 36.350 0.526 2.995) 36.477 16.218 ( 7.697 10.919 5.920) 14.612 16.341 ( 22.088 1.708 -3.759) 22.471 16.498 ( 17.699 -1.363 1.559) 17.820 16.590 ( 27.003 -6.983 -2.837) 28.035 17.537 ( 2.324 11.546 18.098) 21.592 17.771 ( -2.204 -8.469 8.128) 11.943 18.144 ( -1.935 -1.540 -6.095) 6.578 18.150 ( -2.142 -1.831 -7.397) 7.916 18.522 ( 0.692 1.952 2.939) 3.595 18.574 ( 1.241 -3.618 1.816) 4.234 18.726 ( -0.207 -5.063 -2.288) 5.560 18.844 ( 0.409 -14.424 -4.460) 15.104 19.267 ( -3.205 6.046 2.766) 7.381 19.399 ( -1.553 -7.098 -0.987) 7.333 23.205 ( 17.839 9.258 -12.496) 23.666 23.292 ( 16.959 -0.161 -16.226) 23.471 24.076 ( 4.422 1.946 12.072) 13.003 24.229 ( 3.980 -12.468 5.573) 14.225 25.164 ( -5.038 6.983 3.189) 9.182 25.279 ( -5.640 -2.090 0.586) 6.043 25.373 ( -2.496 4.477 -0.444) 5.145 25.531 ( -2.198 -8.747 -2.936) 9.484 ======================= Grid point 89 (47/70) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.467 ( 9.120 5.487 0.634) 10.662 2.514 ( 6.974 4.954 -5.847) 10.362 2.645 ( 2.759 2.910 -3.691) 5.449 2.708 ( 4.459 -0.207 -5.457) 7.050 2.811 ( 2.525 6.748 -2.292) 7.561 2.865 ( 0.105 0.677 1.407) 1.565 3.003 ( -4.680 7.926 4.851) 10.404 3.094 ( -5.633 -1.435 0.212) 5.817 3.190 ( 0.323 -2.044 9.394) 9.619 3.324 ( 4.404 -11.544 5.446) 13.502 3.405 ( 1.416 4.715 15.013) 15.799 3.520 ( -2.082 -6.828 3.247) 7.842 3.755 ( 8.614 5.323 7.091) 12.362 3.863 ( 0.636 0.713 4.708) 4.804 3.944 ( -0.827 -7.372 7.467) 10.525 3.972 ( 7.382 -10.785 13.318) 18.659 4.219 ( 22.914 -2.016 -0.051) 23.003 4.272 ( 21.143 -5.027 -1.913) 21.817 4.506 ( 22.482 3.537 1.601) 22.815 4.547 ( 26.667 1.149 0.260) 26.693 4.775 ( 9.222 10.999 -1.655) 14.448 4.923 ( 12.430 -3.990 -7.363) 14.988 5.043 ( 19.535 7.222 1.580) 20.887 5.196 ( 16.454 -5.151 -0.125) 17.242 5.397 ( 2.802 9.707 -8.984) 13.520 5.492 ( -2.768 2.530 -0.001) 3.750 5.523 ( 5.260 -0.728 -2.738) 5.974 5.562 ( 3.019 -5.457 -4.251) 7.547 5.909 ( -0.464 3.773 0.353) 3.818 5.940 ( -6.274 0.969 0.560) 6.373 6.016 ( 1.335 2.396 0.745) 2.842 6.096 ( -2.317 -0.229 -1.252) 2.643 6.137 ( -8.137 -4.348 -2.290) 9.506 6.183 ( -4.977 -5.218 -1.333) 7.333 6.359 ( -3.342 0.674 2.020) 3.963 6.380 ( -4.957 -1.353 2.397) 5.670 6.682 ( 0.511 1.786 -8.265) 8.472 6.726 ( -0.514 -2.337 -7.646) 8.011 6.829 ( 2.917 6.634 4.161) 8.356 6.927 ( -0.082 -2.298 0.208) 2.309 7.052 ( 0.338 0.938 -1.528) 1.825 7.080 ( 1.955 -1.582 -1.379) 2.868 7.496 ( -11.277 1.636 -3.830) 12.022 7.547 ( -15.536 -2.763 0.971) 15.810 7.799 ( -1.817 0.064 -1.527) 2.374 7.820 ( -2.021 -1.066 1.537) 2.754 7.927 ( 5.208 6.587 -4.287) 9.428 8.060 ( 6.089 -5.523 -3.753) 9.037 8.166 ( -5.178 3.511 -5.856) 8.570 8.301 ( 0.500 -7.957 -7.600) 11.015 8.668 ( 15.486 -0.351 5.045) 16.291 8.686 ( 16.590 -1.378 5.383) 17.496 8.920 ( -9.323 0.998 4.763) 10.517 8.993 ( -9.670 -5.860 3.387) 11.803 9.361 ( -4.909 5.044 1.845) 7.276 9.440 ( -3.477 -3.132 -0.996) 4.784 9.767 ( -1.518 3.519 -2.161) 4.399 9.847 ( -2.676 -4.202 -0.580) 5.016 10.054 ( 11.101 3.148 0.266) 11.542 10.146 ( 11.587 -5.879 3.248) 13.392 10.378 ( -4.328 1.452 0.534) 4.596 10.396 ( -3.554 -0.032 2.104) 4.130 10.623 ( -6.253 5.050 -2.795) 8.510 10.728 ( -6.641 -5.433 -1.077) 8.648 10.835 ( 15.219 3.087 0.308) 15.532 10.940 ( 15.944 -6.983 0.990) 17.434 11.182 ( 5.056 0.154 0.594) 5.093 11.197 ( 3.583 -1.193 3.355) 5.052 11.526 ( -6.557 2.885 -1.177) 7.260 11.578 ( -5.676 -1.894 1.163) 6.096 11.742 ( -8.569 -0.493 -0.621) 8.605 11.771 ( -7.673 -3.348 -5.664) 10.107 12.163 ( -3.989 5.314 1.820) 6.889 12.245 ( -4.640 -3.136 3.586) 6.650 12.581 ( -9.929 2.633 8.063) 13.059 12.617 ( -10.916 -0.869 6.447) 12.707 12.965 ( -2.769 2.485 -1.206) 3.911 12.986 ( -1.526 -0.120 0.039) 1.531 13.280 ( 0.908 4.233 1.651) 4.633 13.341 ( -1.489 -1.609 1.201) 2.500 13.528 ( -2.029 2.305 0.519) 3.115 13.554 ( -3.403 -0.062 -1.357) 3.664 14.228 ( -6.807 10.760 -5.099) 13.715 14.383 ( -7.371 -4.126 -7.691) 11.424 16.385 ( 8.576 12.402 7.711) 16.936 16.587 ( 8.494 -6.417 0.527) 10.658 16.679 ( 5.565 14.240 9.177) 17.832 16.901 ( 14.449 -6.050 5.645) 16.651 17.193 ( 32.444 3.853 -7.706) 33.568 17.311 ( 31.022 -5.573 -7.944) 32.505 17.775 ( 21.819 5.747 9.326) 24.415 17.908 ( 16.106 -2.468 1.457) 16.359 18.070 ( -4.000 -3.437 -5.831) 7.862 18.076 ( -2.926 -3.065 -5.502) 6.945 18.525 ( -1.135 3.641 4.672) 6.031 18.613 ( 2.286 -4.762 2.931) 6.041 18.717 ( -0.743 -3.015 -2.244) 3.831 18.851 ( 0.125 -13.338 -4.585) 14.105 19.165 ( -5.864 6.811 1.255) 9.075 19.341 ( -4.007 -9.894 -2.442) 10.950 23.799 ( 34.558 9.036 -6.128) 36.242 23.849 ( 32.897 2.301 -8.482) 34.050 24.269 ( 14.061 -0.918 8.028) 16.218 24.404 ( 13.206 -12.970 2.673) 18.702 24.946 ( -15.554 7.115 3.593) 17.478 25.064 ( -14.485 -3.284 1.754) 14.956 25.203 ( -14.897 5.404 -1.431) 15.911 25.365 ( -14.571 -9.168 -3.418) 17.551 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.555 ( -3.455 3.159 -2.506) 5.310 2.585 ( -3.650 1.685 -3.376) 5.249 2.676 ( 0.503 3.728 -4.077) 5.547 2.706 ( -0.154 0.335 -0.964) 1.032 2.852 ( 2.387 4.667 1.718) 5.516 2.895 ( 2.468 5.651 1.126) 6.268 2.974 ( 2.298 6.100 0.093) 6.519 3.028 ( 0.441 0.586 -1.340) 1.528 3.191 ( -1.590 -1.025 9.920) 10.099 3.365 ( 0.683 -14.752 5.037) 15.603 3.392 ( -1.877 2.771 12.396) 12.840 3.468 ( -2.145 -7.323 4.460) 8.839 3.826 ( -1.012 0.508 5.835) 5.944 3.883 ( -0.365 2.250 12.979) 13.177 3.924 ( 0.681 -3.042 6.107) 6.856 4.091 ( 4.053 -9.723 16.147) 19.279 4.427 ( 2.478 1.068 0.237) 2.709 4.441 ( 3.016 -1.400 1.675) 3.723 4.734 ( -5.716 1.201 -5.478) 8.008 4.786 ( -3.762 -3.004 -3.058) 5.703 5.160 ( 4.038 8.761 -4.235) 10.535 5.246 ( 0.379 4.955 -1.809) 5.289 5.344 ( -0.679 0.294 -7.690) 7.725 5.391 ( 1.564 3.272 -2.831) 4.601 5.411 ( -0.457 7.391 -3.421) 8.157 5.482 ( 2.993 2.957 -1.489) 4.463 5.547 ( 1.535 -2.236 -8.281) 8.714 5.570 ( 1.676 -2.320 -4.633) 5.446 5.735 ( -6.734 0.057 3.675) 7.672 5.817 ( -1.539 -6.288 3.063) 7.162 5.992 ( -1.938 1.003 -2.026) 2.978 6.014 ( -1.414 -1.268 -2.782) 3.368 6.179 ( 5.985 1.635 4.553) 7.696 6.221 ( 3.333 -2.097 2.924) 4.905 6.331 ( -0.892 -0.120 3.614) 3.724 6.353 ( -1.595 -2.076 2.374) 3.534 6.652 ( -2.204 1.316 -7.254) 7.695 6.694 ( -2.776 -3.047 -7.556) 8.607 6.875 ( 1.278 3.425 -3.841) 5.303 6.911 ( -0.701 0.783 -5.966) 6.058 7.083 ( -0.378 2.275 1.817) 2.936 7.128 ( -0.068 -1.521 -1.477) 2.121 7.283 ( 2.960 -2.112 0.157) 3.639 7.315 ( -1.997 -4.874 -3.095) 6.109 7.761 ( 1.098 2.223 1.097) 2.711 7.803 ( 1.204 -1.341 2.675) 3.225 7.936 ( -1.295 4.181 -7.440) 8.632 7.990 ( -1.856 -1.198 -5.277) 5.721 8.255 ( -2.584 5.717 -1.103) 6.370 8.398 ( -0.283 -7.601 -8.391) 11.326 8.692 ( 3.968 1.596 -0.418) 4.297 8.748 ( 2.449 -3.651 -1.859) 4.773 9.016 ( -14.645 2.843 8.295) 17.069 9.078 ( -8.165 -3.102 8.519) 12.201 9.187 ( 9.816 4.331 3.217) 11.200 9.286 ( 7.489 -5.474 0.637) 9.298 9.783 ( 4.405 2.215 3.016) 5.780 9.846 ( 3.844 -4.356 1.753) 6.069 10.221 ( 0.374 2.385 3.395) 4.166 10.281 ( -1.307 -2.341 4.938) 5.619 10.321 ( 0.645 2.635 -0.576) 2.774 10.340 ( -3.585 1.009 -0.940) 3.841 10.542 ( -0.013 -2.081 -3.798) 4.331 10.567 ( -4.094 -4.106 -3.755) 6.907 11.108 ( 4.897 3.867 2.451) 6.704 11.184 ( -0.720 -2.595 1.927) 3.311 11.259 ( 0.241 0.226 -1.122) 1.170 11.296 ( 4.810 -3.774 1.721) 6.352 11.435 ( 1.304 1.316 -0.259) 1.870 11.479 ( -3.883 -3.111 -0.706) 5.026 11.595 ( 0.324 1.136 -5.144) 5.278 11.641 ( -1.153 -3.774 -7.937) 8.864 12.091 ( -2.910 3.362 6.924) 8.228 12.146 ( -3.471 -2.262 6.641) 7.827 12.427 ( -1.222 2.391 1.904) 3.292 12.469 ( -1.480 -1.777 2.973) 3.766 12.987 ( 3.742 4.490 4.563) 7.415 13.027 ( 5.466 0.272 3.853) 6.693 13.255 ( -4.304 1.699 -2.449) 5.235 13.270 ( -3.198 0.545 -1.749) 3.686 13.530 ( 2.054 2.873 1.759) 3.946 13.567 ( 3.954 -0.674 2.232) 4.590 14.146 ( -0.397 9.665 -5.525) 11.140 14.283 ( -1.547 -3.328 -8.769) 9.506 16.528 ( -1.101 14.729 9.119) 17.358 16.638 ( 0.295 14.043 9.578) 17.001 16.756 ( 2.336 -5.663 3.493) 7.052 16.911 ( -3.242 -9.644 3.499) 10.759 17.622 ( 1.873 2.715 -8.389) 9.014 17.698 ( -1.119 -4.337 -9.445) 10.453 17.896 ( -2.721 -0.121 -7.829) 8.290 17.938 ( 1.284 -3.941 -8.940) 9.854 18.221 ( 2.446 5.515 8.250) 10.221 18.343 ( 6.140 -4.096 7.743) 10.697 18.450 ( -2.610 7.512 6.044) 9.989 18.643 ( -5.631 -8.659 1.827) 10.489 18.673 ( 0.796 -0.103 -2.054) 2.205 18.820 ( -1.226 -7.247 -6.323) 9.696 19.089 ( 0.785 2.753 0.542) 2.913 19.280 ( 1.425 -12.372 -4.350) 13.192 24.412 ( -5.442 9.879 0.911) 11.316 24.506 ( 3.370 7.375 2.745) 8.560 24.535 ( 7.760 5.342 -2.139) 9.661 24.586 ( -6.035 -4.494 2.777) 8.021 24.744 ( 2.031 -2.573 2.151) 3.920 24.783 ( -0.670 1.436 -2.559) 3.010 24.815 ( 2.012 -9.112 -1.026) 9.388 24.965 ( -2.462 -11.269 -3.146) 11.956 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.396 ( -8.944 5.035 -3.116) 10.726 2.460 ( -6.065 6.001 -4.462) 9.628 2.583 ( -6.345 1.603 -1.973) 6.835 2.720 ( -1.450 -4.876 -3.496) 6.172 2.871 ( -4.897 8.857 0.292) 10.125 2.915 ( -0.737 8.784 -2.765) 9.238 3.055 ( 2.818 4.275 4.107) 6.564 3.105 ( -3.970 -0.422 10.554) 11.284 3.110 ( 5.609 -2.762 -0.555) 6.277 3.336 ( -2.959 2.607 12.373) 12.986 3.382 ( 0.476 -16.231 2.369) 16.410 3.432 ( -1.767 -8.008 6.636) 10.549 3.775 ( -3.247 -0.302 2.848) 4.330 3.845 ( -2.987 -4.366 8.734) 10.211 3.928 ( -4.143 6.058 10.744) 13.011 4.109 ( -15.880 -0.450 9.983) 18.763 4.161 ( -18.936 -1.350 5.802) 19.851 4.363 ( -31.904 -12.250 1.410) 34.203 4.485 ( -2.555 3.712 0.788) 4.575 4.577 ( -4.249 -5.465 1.137) 7.015 4.886 ( -19.012 11.187 -5.585) 22.755 4.956 ( -18.650 7.809 -2.655) 20.392 5.023 ( -22.519 1.120 -7.732) 23.835 5.199 ( -11.749 -2.182 -0.022) 11.950 5.224 ( -6.269 4.837 -6.293) 10.114 5.419 ( -6.787 -7.712 -7.730) 12.857 5.593 ( 2.675 8.292 0.726) 8.743 5.694 ( 3.011 -0.848 -1.461) 3.452 5.876 ( 6.089 3.057 -0.485) 6.830 5.955 ( 2.700 0.598 2.914) 4.017 5.987 ( 4.420 -1.137 -1.184) 4.715 6.078 ( 3.884 -4.404 -1.495) 6.059 6.170 ( -3.804 0.858 0.473) 3.929 6.213 ( 0.386 -2.711 -1.308) 3.035 6.327 ( 3.098 -0.123 2.101) 3.745 6.350 ( 3.882 -2.216 2.018) 4.905 6.595 ( -1.151 2.978 -3.564) 4.785 6.651 ( -0.401 -2.485 -3.539) 4.343 6.904 ( 1.526 4.914 -3.674) 6.322 6.954 ( 2.411 0.913 -6.520) 7.011 7.035 ( -0.550 0.674 3.341) 3.452 7.052 ( -6.650 -2.208 -2.731) 7.520 7.473 ( 9.594 -1.044 -1.444) 9.758 7.509 ( 10.364 -4.452 0.373) 11.286 7.820 ( -1.366 2.949 -0.464) 3.283 7.887 ( 7.358 -2.888 1.204) 7.995 7.948 ( 0.533 4.549 -4.751) 6.599 8.015 ( 3.279 -1.576 -5.730) 6.788 8.180 ( -1.658 1.287 -2.377) 3.171 8.227 ( -7.510 -3.114 -9.367) 12.404 8.617 ( -14.960 0.510 6.066) 16.151 8.695 ( -13.580 -6.643 4.919) 15.898 8.864 ( 7.061 0.548 3.659) 7.971 8.895 ( 6.465 -2.896 2.192) 7.416 9.506 ( 12.739 4.518 1.928) 13.654 9.576 ( 11.445 -2.554 0.529) 11.738 9.872 ( -1.848 1.769 -2.149) 3.341 9.895 ( -2.142 -0.649 -1.678) 2.798 10.091 ( -9.039 1.606 2.181) 9.436 10.162 ( -8.234 -4.666 3.453) 10.074 10.254 ( -1.710 2.367 0.502) 2.963 10.298 ( -1.169 -1.779 1.217) 2.452 10.574 ( 4.868 1.868 -3.458) 6.257 10.654 ( 5.882 -5.175 -1.111) 7.913 10.940 ( -14.541 -0.126 -1.208) 14.591 10.957 ( -12.151 -0.944 3.030) 12.559 11.256 ( -2.417 1.563 0.679) 2.957 11.327 ( -2.651 -5.112 2.357) 6.223 11.492 ( 5.616 0.790 -0.092) 5.672 11.511 ( 4.940 -0.965 0.866) 5.107 11.747 ( 8.748 2.092 -5.306) 10.443 11.782 ( 10.659 -1.242 -1.349) 10.816 12.053 ( 0.826 2.986 3.292) 4.521 12.116 ( 1.107 -3.369 4.247) 5.533 12.559 ( 9.226 1.427 5.171) 10.672 12.579 ( 12.384 -0.710 4.840) 13.315 13.064 ( 0.562 6.517 0.943) 6.609 13.160 ( 0.726 -2.577 1.276) 2.965 13.180 ( 0.010 3.304 -0.399) 3.328 13.228 ( 4.518 -1.188 0.840) 4.747 13.607 ( 4.399 4.366 0.768) 6.245 13.671 ( 5.066 -1.912 1.420) 5.598 14.215 ( 6.608 8.500 -5.023) 11.880 14.324 ( 5.619 -1.694 -9.155) 10.875 16.368 ( -8.873 14.310 7.214) 18.318 16.577 ( -10.110 -2.987 1.600) 10.662 16.688 ( -8.032 7.136 8.790) 13.882 16.887 ( -7.766 -7.972 5.494) 12.411 17.178 ( -33.726 5.837 -7.686) 35.080 17.316 ( -30.578 -7.214 -7.349) 32.266 17.800 ( -26.232 13.646 9.751) 31.135 17.957 ( -3.694 2.840 -5.479) 7.193 18.068 ( -11.550 -7.102 3.318) 13.959 18.083 ( 5.745 -6.181 -7.794) 11.487 18.507 ( 1.721 2.315 4.094) 5.008 18.586 ( -0.759 -5.339 2.713) 6.037 18.698 ( 1.016 -5.642 -1.215) 5.860 18.806 ( -0.389 -13.397 -5.689) 14.560 19.193 ( 6.054 7.416 0.864) 9.612 19.367 ( 3.806 -8.953 -2.144) 9.962 23.799 ( -30.920 10.235 -7.342) 33.387 23.899 ( -33.606 0.467 -8.113) 34.575 24.258 ( -13.960 -1.270 8.008) 16.143 24.389 ( -14.721 -12.155 3.562) 19.421 24.936 ( 14.605 8.086 3.284) 17.014 25.078 ( 14.345 -3.917 2.015) 15.006 25.213 ( 15.742 4.043 -1.015) 16.285 25.356 ( 14.778 -8.181 -3.795) 17.313 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.226 ( -5.946 8.000 -0.759) 9.996 2.334 ( -6.549 6.249 -4.632) 10.169 2.414 ( -10.757 3.772 -0.789) 11.427 2.562 ( -13.929 -4.342 -4.089) 15.152 2.652 ( -12.473 9.624 -2.826) 16.005 2.782 ( -6.815 -0.903 -2.371) 7.272 2.891 ( -29.361 4.204 1.905) 29.722 2.992 ( -18.753 -4.598 1.062) 19.338 3.219 ( -6.401 1.826 10.166) 12.151 3.229 ( 0.415 0.880 5.161) 5.252 3.273 ( -3.244 -4.780 2.132) 6.158 3.370 ( -1.926 -7.024 4.872) 8.762 3.461 ( -1.109 0.475 3.203) 3.423 3.594 ( -6.497 -8.725 4.945) 11.949 3.733 ( -2.741 0.549 2.714) 3.896 3.802 ( -4.588 -4.141 4.394) 7.583 3.948 ( -2.601 7.019 12.806) 14.833 4.153 ( -7.043 -4.410 9.424) 12.564 4.187 ( -14.366 4.632 6.947) 16.616 4.404 ( -12.658 -9.553 -2.627) 16.075 4.576 ( -13.817 22.090 6.946) 26.965 4.697 ( -2.125 5.422 -6.896) 9.026 4.801 ( 3.347 -6.400 -1.683) 7.416 4.969 ( -8.011 -15.468 3.099) 17.692 5.119 ( -4.200 6.698 -14.990) 16.947 5.264 ( -5.767 -7.264 -12.560) 15.614 5.670 ( 2.671 6.921 4.159) 8.505 5.748 ( 0.618 0.409 5.779) 5.826 5.906 ( -4.577 4.260 3.104) 6.980 5.933 ( 0.314 3.829 6.414) 7.477 6.030 ( 0.827 -3.300 3.659) 4.996 6.053 ( -0.296 -3.427 0.818) 3.535 6.221 ( 4.644 3.548 -4.825) 7.579 6.276 ( 4.235 -2.254 -3.383) 5.870 6.389 ( 1.121 3.119 -1.523) 3.647 6.444 ( 1.059 -1.318 -4.321) 4.640 6.630 ( 1.155 1.626 -1.300) 2.381 6.660 ( 0.381 -0.690 -5.058) 5.119 6.788 ( -7.442 0.864 -2.563) 7.918 6.865 ( -8.988 -5.035 -2.314) 10.559 7.066 ( 7.178 4.091 1.758) 8.447 7.157 ( 7.028 -4.414 3.668) 9.074 7.440 ( -17.731 2.439 3.747) 18.286 7.502 ( -13.165 -3.436 3.156) 13.967 7.683 ( -4.754 2.441 -4.603) 7.053 7.755 ( 2.223 -3.342 -2.562) 4.761 8.063 ( -1.540 -0.352 -1.507) 2.183 8.115 ( 3.264 -4.943 0.200) 5.927 8.256 ( 11.553 1.357 -5.752) 12.977 8.315 ( 5.640 -4.583 -3.400) 8.023 8.566 ( 9.978 0.557 -2.066) 10.205 8.586 ( 6.897 -1.975 -0.995) 7.243 8.960 ( 0.482 0.551 4.271) 4.333 8.997 ( 1.280 -2.976 1.557) 3.594 9.506 ( -12.861 0.902 -7.254) 14.793 9.514 ( -14.825 0.316 -5.840) 15.937 9.864 ( -3.472 2.400 2.330) 4.821 9.899 ( 3.750 3.664 -0.941) 5.327 9.950 ( -0.151 -4.932 2.842) 5.694 9.962 ( -3.971 -2.831 -1.222) 5.028 10.177 ( -7.710 1.404 2.843) 8.337 10.224 ( -6.691 -2.901 3.325) 8.015 10.634 ( 1.499 3.543 0.431) 3.871 10.720 ( 0.343 -4.554 -2.569) 5.240 10.821 ( 3.487 2.046 0.826) 4.126 10.882 ( 4.275 -3.386 0.311) 5.462 11.167 ( -4.530 0.385 3.160) 5.537 11.203 ( -6.390 -2.937 3.126) 7.696 11.641 ( 6.726 1.812 0.512) 6.985 11.664 ( 7.213 -0.573 0.882) 7.289 11.855 ( 1.644 4.588 1.697) 5.160 11.945 ( 3.127 -4.232 2.994) 6.054 12.156 ( 7.297 3.427 -1.480) 8.196 12.218 ( 7.124 -2.924 0.616) 7.726 12.778 ( 9.134 4.656 7.802) 12.883 12.846 ( 8.437 -0.891 6.938) 10.959 13.039 ( 1.121 1.829 -0.611) 2.230 13.088 ( -2.870 -1.637 -2.042) 3.884 13.267 ( 3.805 6.196 0.584) 7.295 13.370 ( 5.079 -4.024 1.196) 6.589 13.696 ( 3.158 4.462 -0.954) 5.549 13.763 ( 2.658 -2.215 -0.497) 3.495 14.418 ( 11.633 8.640 -4.175) 15.080 14.523 ( 12.390 -0.979 -8.594) 15.110 16.109 ( -33.311 6.537 0.238) 33.947 16.163 ( -18.174 5.996 3.417) 19.441 16.305 ( -24.405 2.001 4.058) 24.821 16.375 ( -25.790 -0.113 -2.906) 25.953 16.493 ( -27.603 -2.304 -0.364) 27.701 16.580 ( -20.788 -8.000 -1.749) 22.343 17.514 ( -1.654 17.878 17.995) 25.420 17.797 ( -0.555 -8.846 8.531) 12.302 18.108 ( 3.071 0.619 -6.229) 6.972 18.163 ( 1.925 -4.548 -7.085) 8.637 18.514 ( -0.385 1.433 2.699) 3.080 18.568 ( -0.673 -3.893 1.513) 4.230 18.717 ( 0.662 -7.205 -1.520) 7.393 18.812 ( 0.818 -14.483 -5.006) 15.346 19.286 ( 2.424 6.235 2.570) 7.166 19.414 ( 0.939 -6.266 -1.016) 6.417 23.246 ( -18.118 9.087 -13.371) 24.283 23.326 ( -17.734 0.009 -16.528) 24.242 24.065 ( -4.362 1.076 12.541) 13.321 24.205 ( -3.425 -11.913 6.371) 13.937 25.148 ( 5.354 8.083 2.696) 10.063 25.290 ( 5.376 -3.358 1.133) 6.439 25.387 ( 2.120 3.554 -0.252) 4.146 25.525 ( 2.402 -7.594 -3.182) 8.577 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.366 ( 10.125 0.000 -25.380) 27.325 1.366 ( -10.125 0.000 25.380) 27.325 1.565 ( 3.129 0.000 -31.924) 32.077 1.565 ( -3.129 0.000 31.924) 32.077 2.332 ( 22.436 0.000 -15.384) 27.204 2.332 ( -22.436 0.000 15.384) 27.204 2.665 ( 2.357 0.000 -16.561) 16.728 2.665 ( -2.357 0.000 16.561) 16.728 2.964 ( -2.446 0.000 -3.918) 4.619 2.964 ( 2.446 0.000 3.918) 4.619 3.419 ( 0.921 0.000 -17.239) 17.264 3.419 ( -0.921 0.000 17.239) 17.264 3.802 ( 5.614 0.000 -5.562) 7.903 3.802 ( -5.614 0.000 5.562) 7.903 4.078 ( 3.527 0.000 -6.454) 7.355 4.078 ( -3.527 0.000 6.454) 7.355 4.141 ( -2.046 0.000 -5.431) 5.804 4.141 ( 2.046 0.000 5.431) 5.804 4.188 ( -2.315 0.000 -9.130) 9.419 4.188 ( 2.315 0.000 9.130) 9.419 4.454 ( -0.804 0.000 -15.810) 15.830 4.454 ( 0.804 0.000 15.810) 15.830 5.140 ( -1.440 0.000 -12.878) 12.958 5.140 ( 1.440 0.000 12.878) 12.958 5.393 ( 4.360 0.000 -6.131) 7.523 5.393 ( -4.360 0.000 6.131) 7.523 5.458 ( 1.703 0.000 -8.958) 9.118 5.458 ( -1.703 0.000 8.958) 9.118 5.771 ( 2.703 0.000 -4.460) 5.215 5.771 ( -2.703 0.000 4.460) 5.215 6.011 ( 6.107 0.000 -8.076) 10.125 6.011 ( -6.107 0.000 8.076) 10.125 6.196 ( -2.792 0.000 -0.653) 2.868 6.196 ( 2.792 0.000 0.653) 2.868 6.250 ( -3.682 0.000 -13.676) 14.163 6.250 ( 3.682 0.000 13.676) 14.163 6.759 ( 4.115 0.000 -7.054) 8.166 6.759 ( -4.115 0.000 7.054) 8.166 6.979 ( -1.395 0.000 -10.033) 10.130 6.979 ( 1.395 0.000 10.033) 10.130 7.294 ( -2.252 0.000 -7.085) 7.434 7.294 ( 2.252 0.000 7.085) 7.434 7.694 ( -1.609 0.000 -0.393) 1.657 7.694 ( 1.609 0.000 0.393) 1.657 7.811 ( 2.000 0.000 -0.683) 2.114 7.811 ( -2.000 0.000 0.683) 2.114 8.337 ( -1.867 0.000 -0.422) 1.915 8.337 ( 1.867 0.000 0.422) 1.915 8.628 ( 4.574 0.000 -7.222) 8.549 8.628 ( -4.574 0.000 7.222) 8.549 9.007 ( 9.710 0.000 -6.073) 11.453 9.007 ( -9.710 0.000 6.073) 11.453 9.272 ( 1.345 0.000 -4.164) 4.376 9.272 ( -1.345 0.000 4.164) 4.376 9.444 ( -7.037 0.000 -6.751) 9.751 9.444 ( 7.037 0.000 6.751) 9.751 9.931 ( -12.262 0.000 0.480) 12.272 9.931 ( 12.262 0.000 -0.480) 12.272 10.133 ( -6.014 0.000 -2.311) 6.443 10.133 ( 6.014 0.000 2.311) 6.443 10.507 ( -2.729 0.000 -0.562) 2.787 10.507 ( 2.729 0.000 0.562) 2.787 10.601 ( 0.124 0.000 -2.745) 2.747 10.601 ( -0.124 0.000 2.745) 2.747 10.977 ( -1.820 0.000 -5.579) 5.868 10.977 ( 1.820 0.000 5.579) 5.868 11.341 ( -3.362 0.000 0.225) 3.369 11.341 ( 3.362 0.000 -0.225) 3.369 11.580 ( -4.133 0.000 0.320) 4.145 11.580 ( 4.133 0.000 -0.320) 4.145 11.806 ( 4.621 0.000 -6.543) 8.010 11.806 ( -4.621 0.000 6.543) 8.010 12.463 ( 3.869 0.000 -2.882) 4.824 12.463 ( -3.869 0.000 2.882) 4.824 12.490 ( -7.157 0.000 1.992) 7.429 12.490 ( 7.157 0.000 -1.992) 7.429 12.729 ( -0.891 0.000 -0.404) 0.979 12.729 ( 0.891 0.000 0.404) 0.979 13.305 ( -5.269 0.000 -4.788) 7.120 13.305 ( 5.269 0.000 4.788) 7.120 13.466 ( -6.215 0.000 -1.974) 6.521 13.466 ( 6.215 0.000 1.974) 6.521 13.959 ( 9.673 0.000 -11.930) 15.358 13.959 ( -9.673 0.000 11.930) 15.358 15.484 ( 5.533 0.000 -4.120) 6.898 15.484 ( -5.533 0.000 4.120) 6.898 15.887 ( 2.427 0.000 -8.599) 8.935 15.887 ( -2.427 0.000 8.599) 8.935 16.187 ( 1.333 0.000 -18.904) 18.951 16.187 ( -1.333 0.000 18.904) 18.951 18.509 ( -1.169 0.000 -3.805) 3.981 18.509 ( 1.169 0.000 3.805) 3.981 18.627 ( -2.866 0.000 -5.614) 6.303 18.627 ( 2.866 0.000 5.614) 6.303 18.921 ( -1.835 0.000 -9.622) 9.795 18.921 ( 1.835 0.000 9.622) 9.795 19.223 ( 3.301 0.000 -3.503) 4.813 19.223 ( -3.301 0.000 3.503) 4.813 20.005 ( 0.968 0.000 -2.486) 2.667 20.005 ( -0.968 0.000 2.486) 2.667 21.780 ( 3.974 0.000 -1.920) 4.413 21.780 ( -3.974 0.000 1.920) 4.413 24.889 ( 0.913 0.000 -5.133) 5.214 24.889 ( -0.913 0.000 5.133) 5.214 25.287 ( -2.588 0.000 -0.371) 2.614 25.287 ( 2.588 0.000 0.371) 2.614 25.809 ( 3.469 0.000 -5.883) 6.829 25.809 ( -3.469 0.000 5.883) 6.829 ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.417 ( 19.225 0.000 23.778) 30.578 1.600 ( 12.785 0.000 16.618) 20.967 1.845 ( 21.430 0.000 -27.828) 35.123 1.925 ( 29.194 0.000 -4.340) 29.515 2.584 ( 30.719 0.000 13.333) 33.488 2.751 ( 5.204 0.000 8.805) 10.228 2.824 ( 7.465 0.000 -10.158) 12.606 2.910 ( 8.023 0.000 -10.580) 13.278 3.104 ( 7.892 0.000 9.019) 11.984 3.296 ( 33.468 0.000 -11.822) 35.494 3.412 ( 9.148 0.000 -12.384) 15.396 3.434 ( 14.216 0.000 6.759) 15.741 3.744 ( 1.641 0.000 13.257) 13.358 3.895 ( 0.054 0.000 -8.032) 8.032 4.003 ( -2.718 0.000 13.339) 13.613 4.082 ( 2.035 0.000 -11.424) 11.604 4.163 ( 6.639 0.000 -5.500) 8.622 4.210 ( 2.510 0.000 6.435) 6.907 4.293 ( 8.278 0.000 3.393) 8.946 4.321 ( 10.915 0.000 -7.906) 13.478 4.464 ( 6.145 0.000 -12.284) 13.735 4.481 ( 3.361 0.000 18.900) 19.197 5.004 ( -9.522 0.000 -14.162) 17.065 5.066 ( -6.899 0.000 17.564) 18.870 5.341 ( 1.282 0.000 12.034) 12.102 5.404 ( -1.089 0.000 -6.309) 6.402 5.455 ( 0.329 0.000 4.621) 4.633 5.491 ( -1.328 0.000 -7.832) 7.944 5.677 ( -4.628 0.000 8.855) 9.991 5.759 ( -2.832 0.000 -3.925) 4.840 5.960 ( -0.571 0.000 6.568) 6.593 6.205 ( 7.071 0.000 -2.648) 7.551 6.258 ( 5.639 0.000 0.818) 5.698 6.278 ( 6.925 0.000 -13.566) 15.232 6.318 ( 1.137 0.000 12.191) 12.244 6.395 ( 15.117 0.000 -3.086) 15.429 6.721 ( 2.649 0.000 7.209) 7.681 6.757 ( -7.191 0.000 4.793) 8.642 6.861 ( -5.585 0.000 -27.672) 28.230 6.898 ( -7.720 0.000 5.277) 9.351 7.130 ( -9.823 0.000 -4.401) 10.764 7.182 ( -9.632 0.000 4.609) 10.678 7.745 ( 0.360 0.000 -0.801) 0.878 7.778 ( -0.541 0.000 3.729) 3.768 7.843 ( 9.940 0.000 -0.926) 9.983 7.850 ( -5.979 0.000 8.752) 10.599 8.116 ( -14.924 0.000 5.288) 15.833 8.277 ( -8.917 0.000 -1.500) 9.042 8.290 ( -19.885 0.000 -9.727) 22.137 8.331 ( -2.239 0.000 -1.780) 2.860 9.024 ( -2.725 0.000 2.181) 3.491 9.126 ( -15.786 0.000 -1.750) 15.883 9.286 ( 5.626 0.000 0.201) 5.629 9.370 ( 4.988 0.000 -1.018) 5.091 9.481 ( -0.588 0.000 0.405) 0.714 9.487 ( 10.905 0.000 0.478) 10.916 9.691 ( -7.265 0.000 -0.160) 7.266 9.959 ( -0.821 0.000 -3.573) 3.666 10.227 ( -1.679 0.000 -0.384) 1.723 10.277 ( 4.521 0.000 6.630) 8.025 10.557 ( 6.024 0.000 2.177) 6.405 10.610 ( 5.233 0.000 -6.395) 8.263 10.752 ( 11.671 0.000 3.503) 12.186 10.815 ( 9.801 0.000 -5.854) 11.416 10.985 ( 11.217 0.000 1.044) 11.266 11.021 ( 5.325 0.000 5.229) 7.463 11.260 ( -3.481 0.000 0.208) 3.487 11.317 ( -7.370 0.000 -3.050) 7.976 11.516 ( 1.102 0.000 4.002) 4.151 11.586 ( -3.255 0.000 3.400) 4.707 11.714 ( -3.959 0.000 1.285) 4.162 11.864 ( -3.275 0.000 -5.896) 6.745 12.311 ( -5.386 0.000 -1.685) 5.643 12.318 ( -7.945 0.000 3.949) 8.873 12.468 ( -2.982 0.000 -0.181) 2.988 12.598 ( 1.065 0.000 -3.215) 3.387 12.741 ( 0.487 0.000 -1.272) 1.362 12.760 ( 4.594 0.000 -1.147) 4.735 13.076 ( -12.655 0.000 -2.053) 12.821 13.308 ( -4.807 0.000 4.433) 6.539 13.321 ( -7.213 0.000 -1.560) 7.380 13.389 ( -13.114 0.000 4.754) 13.949 13.756 ( -2.726 0.000 4.853) 5.566 13.915 ( -8.935 0.000 -11.521) 14.580 15.874 ( 13.314 0.000 -13.893) 19.243 15.919 ( 27.281 0.000 9.188) 28.787 15.978 ( 17.180 0.000 5.685) 18.096 16.150 ( 1.068 0.000 22.436) 22.461 16.180 ( 0.363 0.000 -15.523) 15.527 16.265 ( 36.895 0.000 -9.375) 38.067 18.447 ( -4.575 0.000 -3.054) 5.500 18.509 ( -0.607 0.000 6.106) 6.136 18.622 ( 2.203 0.000 -8.025) 8.322 18.728 ( 5.214 0.000 5.087) 7.284 18.935 ( 1.561 0.000 -9.105) 9.238 18.949 ( -1.657 0.000 3.472) 3.847 19.150 ( -2.868 0.000 6.670) 7.261 19.309 ( 5.652 0.000 -0.905) 5.724 19.921 ( -7.589 0.000 3.143) 8.214 19.993 ( -2.504 0.000 -2.272) 3.381 22.156 ( 35.134 0.000 -10.810) 36.760 22.306 ( 39.960 0.000 13.772) 42.267 24.818 ( -6.436 0.000 5.208) 8.279 24.863 ( -3.847 0.000 -5.548) 6.751 25.188 ( -4.531 0.000 3.624) 5.802 25.285 ( -1.318 0.000 -1.083) 1.706 25.717 ( -4.834 0.000 7.075) 8.569 25.840 ( -1.439 0.000 -6.474) 6.632 ======================= Grid point 121 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.943 ( 23.383 0.000 13.734) 27.118 1.967 ( 19.329 0.000 12.757) 23.159 2.390 ( 25.538 0.000 -19.720) 32.266 2.445 ( 17.520 0.000 -1.443) 17.579 2.701 ( -8.413 0.000 2.887) 8.895 2.704 ( -10.209 0.000 -8.144) 13.060 2.947 ( -7.700 0.000 -4.522) 8.929 3.215 ( -11.105 0.000 5.206) 12.265 3.315 ( 26.785 0.000 10.214) 28.667 3.341 ( 20.019 0.000 -3.797) 20.376 3.793 ( 2.896 0.000 19.037) 19.256 3.802 ( -5.230 0.000 -14.197) 15.129 3.918 ( -1.168 0.000 18.230) 18.268 4.048 ( 19.649 0.000 -29.690) 35.603 4.174 ( 15.899 0.000 10.309) 18.949 4.197 ( 5.567 0.000 -8.557) 10.209 4.371 ( 2.862 0.000 6.194) 6.823 4.394 ( 3.258 0.000 -8.075) 8.708 4.460 ( 4.920 0.000 -9.051) 10.302 4.553 ( 29.588 0.000 5.575) 30.109 4.702 ( 10.740 0.000 13.825) 17.507 4.839 ( 4.264 0.000 -13.376) 14.039 4.928 ( 6.953 0.000 16.512) 17.916 4.961 ( 29.341 0.000 -10.115) 31.035 5.351 ( -4.846 0.000 -8.038) 9.386 5.354 ( -4.821 0.000 8.475) 9.750 5.466 ( 2.025 0.000 -5.533) 5.892 5.515 ( 7.519 0.000 9.637) 12.223 5.631 ( 2.845 0.000 8.273) 8.748 5.690 ( -3.751 0.000 -5.177) 6.393 5.984 ( 3.119 0.000 7.590) 8.206 6.105 ( -15.919 0.000 6.333) 17.133 6.278 ( -4.869 0.000 -6.648) 8.240 6.421 ( 2.269 0.000 2.257) 3.200 6.475 ( -6.570 0.000 -13.126) 14.678 6.504 ( 10.861 0.000 9.154) 14.204 6.733 ( -5.485 0.000 11.258) 12.523 6.792 ( 3.618 0.000 -16.932) 17.314 6.824 ( 10.803 0.000 -7.067) 12.909 6.858 ( 5.934 0.000 -2.374) 6.391 6.886 ( -7.471 0.000 -6.023) 9.597 6.932 ( -9.436 0.000 11.156) 14.611 7.677 ( -15.992 0.000 3.404) 16.350 7.707 ( -5.244 0.000 -3.612) 6.367 7.750 ( -0.867 0.000 3.195) 3.311 7.797 ( -7.160 0.000 9.701) 12.057 7.952 ( -11.216 0.000 -4.884) 12.234 7.972 ( -2.015 0.000 -6.000) 6.330 8.066 ( 3.274 0.000 -0.212) 3.281 8.410 ( -3.462 0.000 1.061) 3.621 8.791 ( -11.338 0.000 0.734) 11.362 8.876 ( -8.758 0.000 -0.914) 8.805 9.305 ( -5.086 0.000 7.061) 8.702 9.308 ( -7.443 0.000 -6.587) 9.939 9.500 ( 2.064 0.000 3.349) 3.934 9.522 ( 3.649 0.000 -4.648) 5.909 9.817 ( 8.532 0.000 -1.255) 8.624 10.019 ( 2.801 0.000 -1.050) 2.991 10.111 ( -5.858 0.000 1.247) 5.989 10.146 ( -11.186 0.000 2.481) 11.458 10.683 ( 0.300 0.000 -10.043) 10.048 10.727 ( 6.601 0.000 3.577) 7.508 10.916 ( 6.598 0.000 -4.198) 7.821 10.924 ( 3.052 0.000 5.269) 6.089 11.127 ( 3.297 0.000 8.606) 9.216 11.190 ( -1.167 0.000 -2.718) 2.958 11.223 ( -0.615 0.000 -1.008) 1.181 11.384 ( 13.979 0.000 2.659) 14.230 11.478 ( -4.989 0.000 2.780) 5.711 11.531 ( -2.160 0.000 1.222) 2.481 11.625 ( -13.889 0.000 -1.941) 14.024 11.675 ( 1.055 0.000 -2.567) 2.775 12.193 ( -0.795 0.000 3.712) 3.797 12.317 ( 2.135 0.000 -7.048) 7.364 12.390 ( -2.783 0.000 3.744) 4.665 12.592 ( -1.472 0.000 -0.154) 1.480 12.729 ( -7.722 0.000 -8.199) 11.263 12.787 ( 3.963 0.000 1.094) 4.112 12.974 ( 5.009 0.000 3.175) 5.930 13.051 ( -12.489 0.000 7.723) 14.684 13.136 ( -9.530 0.000 -4.559) 10.565 13.235 ( -5.555 0.000 -1.337) 5.714 13.711 ( -2.327 0.000 7.775) 8.116 13.742 ( -5.672 0.000 -9.934) 11.439 16.039 ( 4.061 0.000 -22.948) 23.305 16.070 ( 3.535 0.000 21.514) 21.803 16.090 ( -0.639 0.000 25.766) 25.774 16.152 ( -1.207 0.000 -23.852) 23.882 17.018 ( 49.756 0.000 -2.455) 49.817 17.201 ( 41.199 0.000 -0.474) 41.202 18.290 ( -10.750 0.000 -3.336) 11.255 18.450 ( -9.089 0.000 9.292) 12.999 18.675 ( 1.506 0.000 -8.210) 8.347 18.694 ( -6.139 0.000 5.403) 8.178 18.950 ( 0.763 0.000 -5.701) 5.752 19.017 ( 8.214 0.000 -5.524) 9.899 19.100 ( -0.505 0.000 6.572) 6.592 19.465 ( 7.257 0.000 1.128) 7.344 19.690 ( -12.276 0.000 5.443) 13.428 19.881 ( -7.483 0.000 -3.524) 8.272 23.074 ( 45.046 0.000 -20.145) 49.346 23.270 ( 44.601 0.000 20.815) 49.219 24.561 ( -18.637 0.000 7.717) 20.171 24.669 ( -15.565 0.000 -8.652) 17.808 25.181 ( 4.792 0.000 6.966) 8.455 25.295 ( 2.700 0.000 -5.050) 5.727 25.601 ( -5.833 0.000 9.152) 10.852 25.718 ( -9.535 0.000 -7.847) 12.349 ======================= Grid point 122 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.345 ( -0.050 0.000 -3.393) 3.394 2.345 ( 0.050 0.000 3.393) 3.394 2.426 ( 1.077 0.000 -4.322) 4.454 2.426 ( -1.077 0.000 4.322) 4.454 2.754 ( -9.829 0.000 -5.043) 11.047 2.754 ( 9.829 0.000 5.043) 11.047 2.886 ( 18.937 0.000 -13.322) 23.153 2.886 ( -18.937 0.000 13.322) 23.153 3.672 ( 10.716 0.000 -4.983) 11.818 3.672 ( -10.716 0.000 4.983) 11.818 3.683 ( -6.869 0.000 -3.252) 7.600 3.683 ( 6.869 0.000 3.252) 7.600 4.130 ( -14.362 0.000 -22.341) 26.559 4.130 ( 14.362 0.000 22.341) 26.559 4.326 ( 4.474 0.000 -16.439) 17.037 4.326 ( -4.474 0.000 16.439) 17.037 4.351 ( -3.517 0.000 -10.306) 10.890 4.351 ( 3.517 0.000 10.306) 10.890 4.517 ( 11.118 0.000 -27.388) 29.559 4.517 ( -11.118 0.000 27.388) 29.559 5.068 ( -15.275 0.000 -12.571) 19.783 5.068 ( 15.275 0.000 12.571) 19.783 5.146 ( 14.225 0.000 -10.172) 17.488 5.146 ( -14.225 0.000 10.172) 17.488 5.434 ( -12.386 0.000 -1.558) 12.484 5.434 ( 12.386 0.000 1.558) 12.484 5.561 ( -5.121 0.000 1.435) 5.318 5.561 ( 5.121 0.000 -1.435) 5.318 5.671 ( -16.972 0.000 5.584) 17.867 5.671 ( 16.972 0.000 -5.584) 17.867 5.973 ( -18.516 0.000 -6.620) 19.664 5.973 ( 18.516 0.000 6.620) 19.664 6.172 ( -16.693 0.000 -9.101) 19.013 6.172 ( 16.693 0.000 9.101) 19.013 6.593 ( -8.342 0.000 2.608) 8.740 6.593 ( 8.342 0.000 -2.608) 8.740 6.700 ( -4.636 0.000 -19.238) 19.789 6.700 ( 4.636 0.000 19.238) 19.789 6.776 ( -2.767 0.000 -17.545) 17.762 6.776 ( 2.767 0.000 17.545) 17.762 7.101 ( 5.713 0.000 -5.465) 7.906 7.101 ( -5.713 0.000 5.465) 7.906 7.439 ( -9.155 0.000 -5.074) 10.468 7.439 ( 9.155 0.000 5.074) 10.468 7.743 ( 0.326 0.000 -0.855) 0.915 7.743 ( -0.326 0.000 0.855) 0.915 7.959 ( 4.862 0.000 -3.195) 5.818 7.959 ( -4.862 0.000 3.195) 5.818 8.169 ( -11.399 0.000 -0.916) 11.435 8.169 ( 11.399 0.000 0.916) 11.435 8.731 ( -3.416 0.000 -1.379) 3.684 8.731 ( 3.416 0.000 1.379) 3.684 9.210 ( 0.482 0.000 -7.242) 7.258 9.210 ( -0.482 0.000 7.242) 7.258 9.562 ( -0.776 0.000 -7.533) 7.573 9.562 ( 0.776 0.000 7.533) 7.573 9.934 ( -4.958 0.000 1.241) 5.111 9.934 ( 4.958 0.000 -1.241) 5.111 10.065 ( -0.248 0.000 -1.288) 1.312 10.065 ( 0.248 0.000 1.288) 1.312 10.705 ( 3.643 0.000 -5.892) 6.927 10.705 ( -3.643 0.000 5.892) 6.927 11.046 ( -2.811 0.000 -4.745) 5.515 11.046 ( 2.811 0.000 4.745) 5.515 11.121 ( 1.458 0.000 -3.085) 3.412 11.121 ( -1.458 0.000 3.085) 3.412 11.332 ( -10.074 0.000 -4.634) 11.089 11.332 ( 10.074 0.000 4.634) 11.089 11.459 ( -1.831 0.000 -3.430) 3.888 11.459 ( 1.831 0.000 3.430) 3.888 11.616 ( -6.699 0.000 -0.328) 6.707 11.616 ( 6.699 0.000 0.328) 6.707 12.326 ( 3.680 0.000 -1.964) 4.172 12.326 ( -3.680 0.000 1.964) 4.172 12.388 ( -8.573 0.000 -7.907) 11.662 12.388 ( 8.573 0.000 7.907) 11.662 12.793 ( 8.316 0.000 -7.085) 10.925 12.793 ( -8.316 0.000 7.085) 10.925 12.940 ( -7.114 0.000 -5.323) 8.885 12.940 ( 7.114 0.000 5.323) 8.885 13.106 ( -6.209 0.000 -1.765) 6.455 13.106 ( 6.209 0.000 1.765) 6.455 13.680 ( -0.170 0.000 -9.357) 9.358 13.680 ( 0.170 0.000 9.357) 9.358 16.080 ( 0.620 0.000 -26.086) 26.093 16.080 ( -0.620 0.000 26.086) 26.093 16.125 ( -1.401 0.000 -24.510) 24.550 16.125 ( 1.401 0.000 24.510) 24.550 17.873 ( -3.293 0.000 -5.291) 6.232 17.873 ( 3.293 0.000 5.291) 6.232 18.005 ( -13.447 0.000 3.280) 13.842 18.005 ( 13.447 0.000 -3.280) 13.842 18.667 ( -1.372 0.000 -6.129) 6.281 18.667 ( 1.372 0.000 6.129) 6.281 18.998 ( 3.474 0.000 -4.837) 5.955 18.998 ( -3.474 0.000 4.837) 5.955 19.334 ( -14.683 0.000 4.728) 15.425 19.334 ( 14.683 0.000 -4.728) 15.425 19.696 ( -8.777 0.000 -4.271) 9.761 19.696 ( 8.777 0.000 4.271) 9.761 23.944 ( 27.223 0.000 -14.400) 30.796 23.944 ( -27.223 0.000 14.400) 30.796 24.163 ( -24.933 0.000 -14.776) 28.982 24.163 ( 24.933 0.000 14.776) 28.982 25.336 ( -3.880 0.000 -8.135) 9.013 25.336 ( 3.880 0.000 8.135) 9.013 25.520 ( -2.709 0.000 -8.717) 9.128 25.520 ( 2.709 0.000 8.717) 9.128 ======================= Grid point 127 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.483 ( 7.560 10.946 -19.405) 23.527 1.483 ( -7.560 10.946 19.405) 23.527 1.679 ( 4.398 9.537 -23.833) 26.044 1.679 ( -4.398 9.537 23.833) 26.044 2.377 ( 3.918 3.900 -7.329) 9.180 2.377 ( -3.918 3.900 7.329) 9.180 2.703 ( -1.971 4.276 -14.105) 14.870 2.703 ( 1.971 4.276 14.105) 14.870 3.057 ( 0.790 8.491 -7.364) 11.268 3.057 ( -0.790 8.491 7.364) 11.268 3.436 ( 1.168 1.618 -14.705) 14.840 3.436 ( -1.168 1.618 14.705) 14.840 3.742 ( 5.318 -4.960 -5.596) 9.176 3.742 ( -5.318 -4.960 5.596) 9.176 3.970 ( 2.579 -11.195 -2.083) 11.675 3.970 ( -2.579 -11.195 2.083) 11.675 4.071 ( -1.563 -4.195 -1.671) 4.779 4.071 ( 1.563 -4.195 1.671) 4.779 4.234 ( -3.913 3.535 -12.412) 13.486 4.234 ( 3.913 3.535 12.412) 13.486 4.444 ( -2.679 -1.312 -8.011) 8.549 4.444 ( 2.679 -1.312 8.011) 8.549 5.048 ( -0.925 -7.386 -5.946) 9.527 5.048 ( 0.925 -7.386 5.946) 9.527 5.425 ( -2.481 1.420 -2.668) 3.910 5.425 ( 2.481 1.420 2.668) 3.910 5.477 ( -0.226 2.030 -6.423) 6.740 5.477 ( 0.226 2.030 6.423) 6.740 5.774 ( 3.060 0.124 -4.171) 5.174 5.774 ( -3.060 0.124 4.171) 5.174 6.011 ( 3.262 -0.199 -6.537) 7.309 6.011 ( -3.262 -0.199 6.537) 7.309 6.199 ( 0.592 0.495 -2.730) 2.837 6.199 ( -0.592 0.495 2.730) 2.837 6.254 ( -3.528 0.685 -11.900) 12.431 6.254 ( 3.528 0.685 11.900) 12.431 6.775 ( 2.806 1.424 -6.387) 7.120 6.775 ( -2.806 1.424 6.387) 7.120 6.956 ( -1.209 -2.322 -8.581) 8.972 6.956 ( 1.209 -2.322 8.581) 8.972 7.313 ( -1.847 1.683 -8.179) 8.552 7.313 ( 1.847 1.683 8.179) 8.552 7.611 ( 0.820 -6.585 -1.617) 6.830 7.611 ( -0.820 -6.585 1.617) 6.830 7.846 ( -1.703 2.175 -3.782) 4.683 7.846 ( 1.703 2.175 3.782) 4.683 8.337 ( 2.045 -1.076 -7.173) 7.536 8.337 ( -2.045 -1.076 7.173) 7.536 8.594 ( 1.515 -3.155 -6.424) 7.316 8.594 ( -1.515 -3.155 6.424) 7.316 8.963 ( 5.176 -5.184 -4.599) 8.650 8.963 ( -5.176 -5.184 4.599) 8.650 9.212 ( 3.386 -7.632 -2.360) 8.676 9.212 ( -3.386 -7.632 2.360) 8.676 9.352 ( -6.989 -5.861 -3.523) 9.778 9.352 ( 6.989 -5.861 3.523) 9.778 9.884 ( -9.400 -3.775 -2.550) 10.445 9.884 ( 9.400 -3.775 2.550) 10.445 10.096 ( -4.296 -2.208 -6.808) 8.347 10.096 ( 4.296 -2.208 6.808) 8.347 10.474 ( -3.871 -7.597 -1.690) 8.693 10.474 ( 3.871 -7.597 1.690) 8.693 10.564 ( 1.974 1.755 -10.129) 10.468 10.564 ( -1.974 1.755 10.129) 10.468 10.953 ( -0.678 -1.155 -6.814) 6.945 10.953 ( 0.678 -1.155 6.814) 6.945 11.342 ( -1.739 -2.281 -3.326) 4.392 11.342 ( 1.739 -2.281 3.326) 4.392 11.593 ( -0.112 3.120 -4.766) 5.698 11.593 ( 0.112 3.120 4.766) 5.698 11.791 ( 3.345 -0.307 -7.299) 8.034 11.791 ( -3.345 -0.307 7.299) 8.034 12.423 ( 0.352 -2.404 -4.644) 5.241 12.423 ( -0.352 -2.404 4.644) 5.241 12.594 ( 1.903 6.854 -1.459) 7.261 12.594 ( -1.903 6.854 1.459) 7.261 12.780 ( -1.332 5.124 0.306) 5.304 12.780 ( 1.332 5.124 -0.306) 5.304 13.371 ( -2.309 5.341 -1.540) 6.019 13.371 ( 2.309 5.341 1.540) 6.019 13.518 ( -11.965 3.390 -1.384) 12.513 13.518 ( 11.965 3.390 1.384) 12.513 14.017 ( 11.798 6.860 -12.946) 18.811 14.017 ( -11.798 6.860 12.946) 18.811 15.522 ( -1.203 3.484 -3.296) 4.945 15.522 ( 1.203 3.484 3.296) 4.945 15.903 ( -0.638 1.425 -5.903) 6.106 15.903 ( 0.638 1.425 5.903) 6.106 16.199 ( 1.132 1.275 -19.892) 19.965 16.199 ( -1.132 1.275 19.892) 19.965 18.398 ( 0.850 -10.707 -5.817) 12.214 18.398 ( -0.850 -10.707 5.817) 12.214 18.525 ( -0.577 -16.487 -11.990) 20.395 18.525 ( 0.577 -16.487 11.990) 20.395 18.739 ( 0.498 -5.866 -8.714) 10.517 18.739 ( -0.498 -5.866 8.714) 10.517 19.228 ( 0.774 0.631 -5.912) 5.996 19.228 ( -0.774 0.631 5.912) 5.996 19.901 ( 1.342 -9.824 -3.920) 10.662 19.901 ( -1.342 -9.824 3.920) 10.662 22.041 ( -2.249 21.003 -12.471) 24.530 22.041 ( 2.249 21.003 12.471) 24.530 24.903 ( 1.426 0.626 -5.287) 5.512 24.903 ( -1.426 0.626 5.287) 5.512 25.095 ( 1.383 -16.021 -4.016) 16.575 25.095 ( -1.383 -16.021 4.016) 16.575 25.784 ( 3.112 -2.390 -5.814) 7.014 25.784 ( -3.112 -2.390 5.814) 7.014 ======================= Grid point 129 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.523 ( 17.796 10.401 16.435) 26.363 1.710 ( 11.350 9.614 18.582) 23.802 1.866 ( 19.946 3.598 -22.167) 30.037 2.022 ( 23.376 8.063 -9.476) 26.481 2.671 ( 23.535 5.678 4.976) 24.716 2.737 ( 8.064 0.996 9.812) 12.739 2.878 ( 11.302 4.908 -5.561) 13.518 3.035 ( 12.852 8.969 -1.108) 15.711 3.120 ( 11.612 1.532 6.081) 13.197 3.301 ( 18.898 2.140 -9.539) 21.277 3.425 ( 2.430 1.649 -7.075) 7.660 3.475 ( 20.741 3.382 -2.222) 21.132 3.698 ( 3.498 -3.196 11.452) 12.394 3.850 ( 2.004 -3.997 -10.434) 11.351 3.958 ( -1.171 -4.755 10.706) 11.773 4.038 ( 10.871 -7.972 0.778) 13.503 4.108 ( 7.747 -8.716 -0.021) 11.661 4.128 ( 1.696 -0.434 -3.977) 4.345 4.267 ( 7.627 0.606 -6.439) 10.000 4.343 ( 4.953 1.786 5.177) 7.384 4.409 ( 1.057 -3.432 -4.701) 5.916 4.546 ( 9.382 2.480 7.000) 11.965 4.957 ( -6.861 -4.104 -8.511) 11.677 4.991 ( -5.679 -6.577 11.048) 14.055 5.371 ( -0.963 0.691 1.722) 2.091 5.409 ( -2.341 2.150 2.567) 4.085 5.460 ( -1.800 -0.044 0.671) 1.922 5.521 ( 1.808 2.383 -1.892) 3.539 5.671 ( -4.455 -0.554 7.039) 8.348 5.774 ( -2.620 1.758 -2.657) 4.124 5.991 ( -0.229 2.773 5.291) 5.978 6.152 ( 7.342 -4.381 -0.710) 8.579 6.254 ( 5.244 -0.442 1.037) 5.364 6.268 ( 4.615 -0.003 -11.169) 12.085 6.304 ( 3.428 -1.287 2.718) 4.561 6.428 ( 13.247 1.943 0.524) 13.399 6.702 ( -1.077 -0.692 2.374) 2.697 6.772 ( -6.581 1.012 5.591) 8.695 6.875 ( -4.210 -0.573 -16.878) 17.405 6.883 ( -5.454 -0.504 0.915) 5.553 7.131 ( -10.448 0.016 -4.722) 11.465 7.189 ( -9.742 0.615 4.304) 10.669 7.697 ( 2.063 -4.262 0.447) 4.756 7.742 ( 4.079 -3.375 3.083) 6.126 7.808 ( -2.704 0.138 2.244) 3.516 7.916 ( 3.228 2.716 5.290) 6.766 8.083 ( -14.464 -2.874 6.375) 16.066 8.227 ( -14.423 -4.636 -12.279) 19.501 8.295 ( -12.452 1.306 -0.615) 12.535 8.389 ( -3.894 3.632 -2.350) 5.820 8.992 ( -3.024 -4.670 -0.309) 5.572 9.075 ( -8.859 -6.545 -1.324) 11.094 9.277 ( 5.497 -0.094 2.792) 6.166 9.307 ( 3.139 -7.137 0.637) 7.823 9.365 ( 3.229 -6.568 -2.717) 7.807 9.500 ( 11.988 -1.724 1.285) 12.179 9.667 ( -7.651 -0.873 0.870) 7.750 9.911 ( -1.690 -3.505 -2.533) 4.643 10.182 ( 3.783 -3.937 3.576) 6.527 10.313 ( 7.709 0.487 1.221) 7.820 10.447 ( 0.848 -5.759 1.531) 6.019 10.546 ( 7.203 -13.483 -2.711) 15.525 10.642 ( 3.121 -1.170 -3.231) 4.642 10.790 ( 13.733 -4.547 2.718) 14.720 10.892 ( 6.013 -3.400 1.386) 7.045 11.054 ( 6.527 0.867 0.418) 6.597 11.230 ( -6.654 -3.174 -1.142) 7.460 11.403 ( 1.762 4.097 -1.528) 4.715 11.517 ( -1.865 0.775 2.148) 2.948 11.590 ( -5.092 -1.206 -0.125) 5.234 11.678 ( -5.892 2.908 5.913) 8.839 11.880 ( 3.259 -0.266 -6.897) 7.633 12.248 ( -10.293 -3.236 0.854) 10.824 12.421 ( -7.219 2.544 -2.856) 8.169 12.484 ( -1.458 4.317 3.841) 5.960 12.624 ( -3.009 3.179 -4.152) 6.033 12.783 ( 1.843 3.449 0.839) 3.999 12.828 ( 3.814 6.649 -1.391) 7.791 13.161 ( -14.531 5.708 2.131) 15.757 13.302 ( -7.874 1.593 -1.640) 8.199 13.357 ( -3.398 3.405 0.085) 4.811 13.574 ( -14.894 15.043 6.427) 22.123 13.730 ( -0.783 -1.611 4.314) 4.671 14.002 ( -7.758 7.944 -11.340) 15.872 15.888 ( 21.885 1.947 -8.048) 23.399 15.980 ( 26.538 3.017 -2.971) 26.874 15.988 ( 11.047 3.781 11.919) 16.685 16.151 ( 0.877 1.769 6.248) 6.553 16.266 ( 4.186 6.708 -3.292) 8.565 16.300 ( 37.134 3.106 -4.058) 37.484 18.327 ( -4.565 -8.719 -1.548) 9.963 18.418 ( 2.410 -14.377 -3.623) 15.021 18.559 ( 3.123 -13.610 2.630) 14.209 18.627 ( 3.085 -3.207 -2.502) 5.105 18.726 ( 3.421 -16.662 4.348) 17.556 18.881 ( 7.516 -5.592 -0.592) 9.387 19.078 ( -9.038 -0.630 1.596) 9.199 19.330 ( 5.167 0.563 -0.399) 5.213 19.821 ( -6.185 -9.515 4.100) 12.066 19.898 ( -1.967 -9.098 -3.646) 9.997 22.348 ( 29.506 16.321 -13.200) 36.211 22.464 ( 33.514 13.350 15.786) 39.378 24.826 ( -5.845 -0.091 4.588) 7.431 24.890 ( -3.647 2.395 -4.035) 5.943 25.046 ( -2.066 -11.430 5.345) 12.786 25.107 ( 0.963 -15.977 -4.748) 16.695 25.699 ( -4.721 -1.887 6.989) 8.643 25.810 ( -1.628 -2.854 -6.378) 7.174 ======================= Grid point 131 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.998 ( 20.031 6.112 7.427) 22.220 2.069 ( 20.509 8.079 14.486) 26.376 2.354 ( 21.591 -1.723 -15.864) 26.847 2.447 ( 14.408 1.192 -2.808) 14.728 2.728 ( -5.267 2.189 3.789) 6.848 2.749 ( -6.481 2.609 -7.177) 10.016 2.953 ( -9.453 1.335 -3.767) 10.263 3.173 ( -8.824 -1.902 4.593) 10.128 3.420 ( 15.442 5.012 -0.067) 16.235 3.468 ( 19.831 11.302 5.666) 23.518 3.748 ( 6.526 -3.500 19.739) 21.082 3.793 ( -3.469 -1.517 -15.434) 15.891 3.868 ( 2.412 -3.957 10.556) 11.529 4.012 ( 16.058 -0.276 -17.381) 23.665 4.190 ( 7.805 0.450 6.936) 10.451 4.225 ( 8.915 -0.990 -5.834) 10.700 4.286 ( 9.005 -6.719 -8.591) 14.143 4.382 ( 2.248 0.470 2.143) 3.142 4.436 ( 16.216 1.134 0.759) 16.274 4.607 ( 14.956 -0.244 0.139) 14.959 4.640 ( 19.980 -1.358 5.359) 20.731 4.839 ( 0.834 -0.638 -6.687) 6.769 4.871 ( 8.171 -5.207 9.536) 13.595 4.983 ( 28.957 0.280 -4.645) 29.328 5.322 ( -4.502 -2.043 -8.475) 9.812 5.350 ( -4.801 -2.822 6.181) 8.320 5.426 ( 0.771 1.711 3.724) 4.171 5.560 ( 0.480 0.743 3.375) 3.489 5.641 ( 1.593 0.260 2.551) 3.019 5.729 ( 2.187 5.170 0.978) 5.698 6.004 ( 2.022 1.695 6.821) 7.314 6.130 ( -12.882 2.185 2.362) 13.277 6.264 ( -4.241 -1.310 -4.391) 6.243 6.402 ( 4.637 -2.223 2.682) 5.799 6.441 ( 5.714 -4.268 -6.686) 9.776 6.486 ( -4.103 -0.359 -0.859) 4.207 6.714 ( -3.664 -1.720 7.302) 8.349 6.736 ( 1.430 -2.627 -9.170) 9.645 6.827 ( -6.629 -1.721 -11.636) 13.502 6.867 ( 13.818 1.387 7.181) 15.634 6.931 ( -6.124 2.825 -3.024) 7.391 6.974 ( -1.026 3.727 3.112) 4.963 7.665 ( -11.928 -1.639 -2.032) 12.210 7.682 ( -6.256 -4.349 7.116) 10.426 7.719 ( -10.480 0.431 1.562) 10.604 7.792 ( -0.273 -0.324 5.100) 5.117 7.942 ( -6.053 -1.982 -4.479) 7.786 7.990 ( -5.959 2.166 -5.276) 8.249 8.099 ( 2.340 2.641 -0.187) 3.534 8.396 ( -3.747 -1.412 -0.754) 4.074 8.807 ( -9.697 1.020 1.759) 9.908 8.887 ( -8.120 0.761 -1.450) 8.283 9.214 ( -5.407 -5.565 0.286) 7.764 9.342 ( -5.384 -1.238 -3.039) 6.305 9.451 ( 6.776 -2.770 3.353) 8.051 9.501 ( -1.715 -3.469 -1.126) 4.031 9.787 ( 8.921 -1.823 0.985) 9.159 9.945 ( 0.873 -3.779 -0.613) 3.927 10.128 ( -3.428 1.920 0.486) 3.959 10.243 ( -9.474 5.377 1.260) 10.966 10.530 ( 3.703 -9.188 -2.678) 10.261 10.620 ( -0.853 -12.063 0.002) 12.093 10.809 ( 11.231 -7.173 1.897) 13.461 10.946 ( 6.000 -2.354 -0.773) 6.491 11.044 ( -2.797 -1.882 -1.320) 3.620 11.215 ( 7.416 -8.557 -0.013) 11.324 11.269 ( 5.559 4.274 3.977) 8.062 11.386 ( -4.767 6.431 -1.490) 8.142 11.453 ( -1.524 -3.497 1.044) 3.955 11.524 ( 0.665 3.290 4.047) 5.258 11.613 ( 3.110 0.007 -1.343) 3.387 11.841 ( -7.080 8.270 -1.545) 10.996 12.059 ( -4.419 -9.329 -1.798) 10.478 12.273 ( -4.967 -3.348 -1.096) 6.089 12.433 ( -4.037 3.917 -2.365) 6.102 12.597 ( 2.302 0.672 1.183) 2.674 12.753 ( -8.270 1.419 1.320) 8.494 12.888 ( 1.571 7.448 -2.700) 8.076 12.974 ( 0.017 2.163 4.746) 5.216 13.101 ( -8.062 3.509 -3.225) 9.365 13.238 ( -7.399 7.160 2.521) 10.600 13.305 ( -7.652 8.198 -0.360) 11.220 13.724 ( -0.428 3.410 4.722) 5.840 13.848 ( -5.876 7.973 -6.943) 12.096 16.067 ( 4.173 4.340 -12.474) 13.851 16.118 ( -0.086 3.876 15.351) 15.833 16.165 ( 5.096 7.684 10.365) 13.873 16.265 ( -0.154 9.849 -13.341) 16.584 17.035 ( 49.202 1.890 -2.285) 49.291 17.214 ( 40.044 1.174 -0.082) 40.061 18.189 ( -9.085 -7.873 -0.367) 12.028 18.453 ( -4.689 -4.767 4.497) 8.058 18.540 ( -1.900 -9.557 -0.692) 9.768 18.687 ( -1.554 -4.093 -0.263) 4.386 18.793 ( 2.477 -11.072 -2.383) 11.593 18.874 ( -4.696 -13.481 1.962) 14.410 19.068 ( 9.208 -1.247 -4.155) 10.179 19.449 ( 3.890 -3.007 1.612) 5.174 19.646 ( -8.094 -4.434 5.633) 10.812 19.811 ( -5.794 -6.900 -4.258) 9.965 23.164 ( 41.897 8.339 -17.611) 46.207 23.327 ( 42.030 5.333 18.657) 46.293 24.591 ( -17.607 3.037 6.082) 18.874 24.697 ( -15.633 2.784 -6.881) 17.306 25.083 ( 6.877 -9.209 7.333) 13.633 25.179 ( 5.882 -10.822 -6.195) 13.787 25.573 ( -6.991 -2.748 8.919) 11.661 25.680 ( -10.333 -3.710 -7.691) 13.405 ======================= Grid point 132 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.378 ( -14.389 2.805 -4.708) 15.398 2.378 ( 14.389 2.805 4.708) 15.398 2.483 ( -14.697 5.188 -5.649) 16.578 2.483 ( 14.697 5.188 5.649) 16.578 2.740 ( -8.443 -0.717 -5.383) 10.039 2.740 ( 8.443 -0.717 5.383) 10.039 2.875 ( 14.505 -0.463 -10.927) 18.166 2.875 ( -14.505 -0.463 10.927) 18.166 3.678 ( 7.438 -0.533 -8.178) 11.067 3.678 ( -7.438 -0.533 8.178) 11.067 3.704 ( -4.011 0.036 -5.729) 6.994 3.704 ( 4.011 0.036 5.729) 6.994 4.136 ( -11.469 1.538 -8.224) 14.196 4.136 ( 11.469 1.538 8.224) 14.196 4.279 ( -5.184 -1.346 -2.589) 5.949 4.279 ( 5.184 -1.346 2.589) 5.949 4.347 ( -0.234 -0.751 -6.399) 6.447 4.347 ( 0.234 -0.751 6.399) 6.447 4.545 ( 6.214 1.239 -22.992) 23.849 4.545 ( -6.214 1.239 22.992) 23.849 5.062 ( -15.010 -0.753 -11.758) 19.082 5.062 ( 15.010 -0.753 11.758) 19.082 5.134 ( 13.916 -0.833 -8.826) 16.499 5.134 ( -13.916 -0.833 8.826) 16.499 5.378 ( -12.323 -4.272 0.193) 13.044 5.378 ( 12.323 -4.272 -0.193) 13.044 5.482 ( -2.093 -4.273 -1.717) 5.058 5.482 ( 2.093 -4.273 1.717) 5.058 5.756 ( -14.977 5.279 1.966) 16.001 5.756 ( 14.977 5.279 -1.966) 16.001 6.016 ( -12.369 2.761 -5.184) 13.692 6.016 ( 12.369 2.761 5.184) 13.692 6.186 ( -16.572 1.571 -8.373) 18.634 6.186 ( 16.572 1.571 8.373) 18.634 6.541 ( -5.445 -4.466 -2.314) 7.413 6.541 ( 5.445 -4.466 2.314) 7.413 6.718 ( -6.938 0.942 -11.968) 13.866 6.718 ( 6.938 0.942 11.968) 13.866 6.750 ( -1.228 -1.929 -12.679) 12.884 6.750 ( 1.228 -1.929 12.679) 12.884 7.135 ( 5.278 2.859 -8.053) 10.044 7.135 ( -5.278 2.859 8.053) 10.044 7.418 ( -8.735 -2.015 -7.427) 11.642 7.418 ( 8.735 -2.015 7.427) 11.642 7.726 ( -4.321 -1.563 0.346) 4.607 7.726 ( 4.321 -1.563 -0.346) 4.607 7.952 ( -3.265 -0.727 -2.587) 4.228 7.952 ( 3.265 -0.727 2.587) 4.228 8.197 ( -9.646 2.577 -1.709) 10.129 8.197 ( 9.646 2.577 1.709) 10.129 8.744 ( -3.095 1.083 -0.150) 3.283 8.744 ( 3.095 1.083 0.150) 3.283 9.191 ( -1.325 -1.500 -7.596) 7.855 9.191 ( 1.325 -1.500 7.596) 7.855 9.525 ( 0.547 -4.290 -6.710) 7.983 9.525 ( -0.547 -4.290 6.710) 7.983 9.906 ( -2.420 -1.079 -1.838) 3.225 9.906 ( 2.420 -1.079 1.838) 3.225 10.115 ( 1.110 3.528 -2.785) 4.630 10.115 ( -1.110 3.528 2.785) 4.630 10.575 ( 2.370 -9.752 -2.303) 10.297 10.575 ( -2.370 -9.752 2.303) 10.297 10.970 ( -2.541 -8.464 -2.543) 9.196 10.970 ( 2.541 -8.464 2.543) 9.196 11.167 ( -8.152 3.331 -0.057) 8.807 11.167 ( 8.152 3.331 0.057) 8.807 11.275 ( 1.876 -0.884 -5.091) 5.497 11.275 ( -1.876 -0.884 5.091) 5.497 11.558 ( -5.810 1.155 -4.479) 7.427 11.558 ( 5.810 1.155 4.479) 7.427 11.670 ( -7.307 7.804 -0.780) 10.720 11.670 ( 7.307 7.804 0.780) 10.720 12.138 ( -1.924 -11.247 -6.328) 13.048 12.138 ( 1.924 -11.247 6.328) 13.048 12.460 ( 0.651 1.238 -7.660) 7.786 12.460 ( -0.651 1.238 7.660) 7.786 12.801 ( -1.360 2.690 -6.552) 7.212 12.801 ( 1.360 2.690 6.552) 7.212 13.017 ( -2.489 4.961 -4.908) 7.409 13.017 ( 2.489 4.961 4.908) 7.409 13.179 ( -4.015 7.325 -1.433) 8.476 13.179 ( 4.015 7.325 1.433) 8.476 13.749 ( -1.744 6.311 -8.940) 11.082 13.749 ( 1.744 6.311 8.940) 11.082 16.114 ( 0.615 4.784 -16.538) 17.228 16.114 ( -0.615 4.784 16.538) 17.228 16.238 ( -1.912 9.671 -14.295) 17.364 16.238 ( 1.912 9.671 14.295) 17.364 17.843 ( -12.154 -2.950 -2.179) 12.696 17.843 ( 12.154 -2.950 2.179) 12.696 18.018 ( -26.829 0.909 2.088) 26.925 18.018 ( 26.829 0.909 -2.088) 26.925 18.595 ( -1.893 -7.123 -5.031) 8.924 18.595 ( 1.893 -7.123 5.031) 8.924 18.840 ( 1.229 -12.686 -4.075) 13.381 18.840 ( -1.229 -12.686 4.075) 13.381 19.311 ( 5.914 -3.710 -3.377) 7.755 19.311 ( -5.914 -3.710 3.377) 7.755 19.670 ( -6.528 -2.933 -4.673) 8.547 19.670 ( 6.528 -2.933 4.673) 8.547 23.990 ( 23.285 4.436 -12.421) 26.761 23.990 ( -23.285 4.436 12.421) 26.761 24.197 ( -22.565 3.351 -13.212) 26.362 24.197 ( 22.565 3.351 13.212) 26.362 25.280 ( -3.591 -5.435 -8.067) 10.369 25.280 ( 3.591 -5.435 8.067) 10.369 25.455 ( -2.506 -6.204 -8.633) 10.922 25.455 ( 2.506 -6.204 8.633) 10.922 ======================= Grid point 137 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.742 ( 5.356 13.614 -4.372) 15.269 1.742 ( -5.356 13.614 4.372) 15.269 1.897 ( 5.790 12.562 -10.095) 17.124 1.897 ( -5.790 12.562 10.095) 17.124 2.419 ( -6.200 -0.901 -0.236) 6.270 2.419 ( 6.200 -0.901 0.236) 6.270 2.820 ( -3.034 4.985 -5.510) 8.026 2.820 ( 3.034 4.985 5.510) 8.026 3.222 ( 4.248 5.368 -2.295) 7.220 3.222 ( -4.248 5.368 2.295) 7.220 3.475 ( 2.811 1.862 -8.450) 9.098 3.475 ( -2.811 1.862 8.450) 9.098 3.667 ( 5.211 -1.784 -7.830) 9.573 3.667 ( -5.211 -1.784 7.830) 9.573 3.818 ( -2.617 -0.428 -4.496) 5.220 3.818 ( 2.617 -0.428 4.496) 5.220 3.959 ( 5.497 -5.148 -3.160) 8.168 3.959 ( -5.497 -5.148 3.160) 8.168 4.269 ( -2.438 -0.857 -17.857) 18.043 4.269 ( 2.438 -0.857 17.857) 18.043 4.394 ( -3.121 -3.645 -5.384) 7.212 4.394 ( 3.121 -3.645 5.384) 7.212 4.921 ( 1.049 -4.501 -11.910) 12.775 4.921 ( -1.049 -4.501 11.910) 12.775 5.388 ( 0.658 -5.429 -0.760) 5.521 5.388 ( -0.658 -5.429 0.760) 5.521 5.552 ( -1.211 5.159 -2.460) 5.843 5.552 ( 1.211 5.159 2.460) 5.843 5.776 ( 3.829 0.850 -4.606) 6.050 5.776 ( -3.829 0.850 4.606) 6.050 6.013 ( 1.676 0.780 -4.227) 4.613 6.013 ( -1.676 0.780 4.227) 4.613 6.218 ( -2.716 1.293 -3.536) 4.643 6.218 ( 2.716 1.293 3.536) 4.643 6.282 ( -1.176 2.025 -9.392) 9.680 6.282 ( 1.176 2.025 9.392) 9.680 6.799 ( -0.618 0.143 -5.423) 5.460 6.799 ( 0.618 0.143 5.423) 5.460 6.887 ( -1.351 -4.366 -10.381) 11.343 6.887 ( 1.351 -4.366 10.381) 11.343 7.343 ( -5.409 0.529 -8.227) 9.860 7.343 ( 5.409 0.529 8.227) 9.860 7.471 ( -1.719 -6.602 -3.593) 7.710 7.471 ( 1.719 -6.602 3.593) 7.710 7.885 ( -1.706 1.872 -6.042) 6.552 7.885 ( 1.706 1.872 6.042) 6.552 8.203 ( 1.621 -13.807 -27.615) 30.917 8.203 ( -1.621 -13.807 27.615) 30.917 8.545 ( 5.019 -0.890 -6.187) 8.016 8.545 ( -5.019 -0.890 6.187) 8.016 8.785 ( -0.829 -9.977 -4.946) 11.167 8.785 ( 0.829 -9.977 4.946) 11.167 9.048 ( 4.815 -6.335 -5.296) 9.558 9.048 ( -4.815 -6.335 5.296) 9.558 9.287 ( -0.961 -1.864 -3.463) 4.048 9.287 ( 0.961 -1.864 3.463) 4.048 9.826 ( -7.271 -1.700 -3.688) 8.328 9.826 ( 7.271 -1.700 3.688) 8.328 10.067 ( -3.216 -1.118 -6.480) 7.320 10.067 ( 3.216 -1.118 6.480) 7.320 10.308 ( -5.500 -7.352 -2.311) 9.468 10.308 ( 5.500 -7.352 2.311) 9.468 10.618 ( 4.504 2.742 -7.894) 9.493 10.618 ( -4.504 2.742 7.894) 9.493 10.940 ( -1.922 -0.592 -1.210) 2.347 10.940 ( 1.922 -0.592 1.210) 2.347 11.259 ( -2.552 -4.580 -1.959) 5.597 11.259 ( 2.552 -4.580 1.959) 5.597 11.664 ( 3.064 2.090 -6.533) 7.512 11.664 ( -3.064 2.090 6.533) 7.512 11.838 ( 0.818 5.541 -8.919) 10.531 11.838 ( -0.818 5.541 8.919) 10.531 12.366 ( 2.071 -3.238 -7.184) 8.148 12.366 ( -2.071 -3.238 7.184) 8.148 12.728 ( -0.224 6.639 -1.187) 6.748 12.728 ( 0.224 6.639 1.187) 6.748 12.914 ( -0.482 7.645 -0.744) 7.696 12.914 ( 0.482 7.645 0.744) 7.696 13.456 ( -2.617 1.240 -0.779) 2.999 13.456 ( 2.617 1.240 0.779) 2.999 13.564 ( -8.961 2.867 -3.715) 10.116 13.564 ( 8.961 2.867 3.715) 10.116 14.229 ( 10.324 12.721 -13.128) 20.994 14.229 ( -10.324 12.721 13.128) 20.994 15.599 ( -7.561 3.569 -2.992) 8.880 15.599 ( 7.561 3.569 2.992) 8.880 15.939 ( -5.258 2.185 -2.763) 6.328 15.939 ( 5.258 2.185 2.763) 6.328 16.242 ( 0.320 3.105 -20.480) 20.717 16.242 ( -0.320 3.105 20.480) 20.717 18.048 ( -3.014 -17.002 -24.940) 30.334 18.048 ( 3.014 -17.002 24.940) 30.334 18.288 ( -2.381 -8.174 -2.797) 8.961 18.288 ( 2.381 -8.174 2.797) 8.961 18.675 ( 0.272 -3.170 -4.768) 5.732 18.675 ( -0.272 -3.170 4.768) 5.732 19.226 ( -1.009 -2.103 -6.223) 6.646 19.226 ( 1.009 -2.103 6.223) 6.646 19.642 ( 2.432 -14.921 -6.485) 16.450 19.642 ( -2.432 -14.921 6.485) 16.450 22.444 ( -0.899 17.634 -12.895) 21.864 22.444 ( 0.899 17.634 12.895) 21.864 24.683 ( 1.979 -17.895 -9.594) 20.401 24.683 ( -1.979 -17.895 9.594) 20.401 25.005 ( -1.128 4.355 -3.685) 5.815 25.005 ( 1.128 4.355 3.685) 5.815 25.715 ( 2.275 -4.535 -5.368) 7.386 25.715 ( -2.275 -4.535 5.368) 7.386 ======================= Grid point 139 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 1.796 ( 15.252 15.590 4.868) 22.347 1.925 ( 9.075 12.016 16.969) 22.687 1.994 ( 13.655 8.698 -15.987) 22.753 2.219 ( 18.495 10.888 -8.037) 22.917 2.706 ( 10.091 0.369 0.288) 10.102 2.774 ( 8.965 -2.419 5.000) 10.546 2.933 ( 22.021 -1.657 1.123) 22.112 3.090 ( 20.533 1.430 -1.739) 20.656 3.246 ( 6.879 6.753 -0.209) 9.642 3.370 ( -1.694 0.934 1.257) 2.307 3.472 ( 6.039 2.011 6.086) 8.807 3.576 ( 17.035 5.605 -8.645) 19.908 3.647 ( 8.029 -2.467 1.799) 8.589 3.808 ( 6.665 -1.605 -5.542) 8.815 3.877 ( 0.892 0.032 3.025) 3.154 3.896 ( 14.566 -1.585 0.269) 14.654 3.986 ( 10.711 -1.509 5.958) 12.350 4.083 ( 5.120 -2.080 -3.366) 6.471 4.278 ( 5.092 -2.366 -10.513) 11.918 4.294 ( 1.628 -3.653 -5.231) 6.585 4.394 ( 3.141 0.032 13.144) 13.514 4.547 ( 10.563 -2.510 5.922) 12.367 4.873 ( -3.807 -4.293 5.188) 7.736 4.889 ( -3.206 -1.373 -7.141) 7.948 5.333 ( -2.222 -3.759 1.504) 4.618 5.410 ( -1.987 -4.998 -0.092) 5.380 5.502 ( -2.900 5.203 -0.522) 5.979 5.568 ( 0.898 2.079 2.063) 3.064 5.675 ( -1.981 2.199 5.099) 5.896 5.828 ( -0.632 3.486 -1.924) 4.032 6.046 ( 2.011 1.485 5.429) 5.977 6.089 ( 2.950 -0.401 -2.314) 3.771 6.214 ( 4.589 -3.083 -8.962) 10.530 6.259 ( 2.811 -0.104 1.042) 3.000 6.334 ( 2.848 3.382 1.075) 4.550 6.448 ( 10.128 0.421 -0.705) 10.161 6.707 ( -3.162 0.452 -0.190) 3.200 6.757 ( -4.693 -3.450 3.558) 6.826 6.850 ( -5.265 -1.621 6.514) 8.531 6.867 ( -0.938 -0.651 -14.838) 14.882 7.120 ( -9.965 -1.347 -4.669) 11.087 7.202 ( -9.703 0.599 3.707) 10.404 7.601 ( 4.751 -4.688 2.539) 7.141 7.687 ( 5.606 -1.809 0.194) 5.894 7.825 ( -3.550 1.334 2.674) 4.640 7.934 ( 2.957 -2.299 8.442) 9.236 8.016 ( -8.182 -3.333 -1.499) 8.961 8.116 ( -11.743 -5.618 -9.161) 15.918 8.316 ( -11.188 -0.017 -0.121) 11.189 8.444 ( -6.388 1.290 -4.151) 7.727 8.786 ( 3.181 -16.704 -2.326) 17.163 8.819 ( 2.918 -14.111 3.220) 14.765 9.199 ( 1.182 -2.942 -0.747) 3.257 9.246 ( -1.681 -4.213 -4.906) 6.681 9.298 ( 8.026 0.639 3.339) 8.716 9.449 ( 15.114 -2.894 3.265) 15.731 9.676 ( -6.263 1.680 3.086) 7.181 9.857 ( -2.096 -1.800 0.190) 2.769 10.062 ( 7.663 -6.829 3.515) 10.849 10.249 ( 6.105 -6.331 -4.400) 9.834 10.337 ( 8.481 -5.625 -2.494) 10.478 10.397 ( -2.311 -0.490 -0.884) 2.522 10.616 ( 4.443 -1.412 8.480) 9.677 10.690 ( 4.298 -3.016 -2.529) 5.828 10.879 ( 1.952 0.389 -2.158) 2.936 11.019 ( 2.142 -4.489 -0.323) 4.984 11.185 ( -1.402 -1.102 3.095) 3.572 11.346 ( 4.518 -5.110 0.782) 6.866 11.556 ( -6.436 0.231 2.271) 6.829 11.666 ( -3.381 6.945 -8.009) 11.126 11.759 ( -5.567 3.535 6.118) 8.995 11.888 ( 3.204 2.820 -4.858) 6.466 12.185 ( -11.731 -3.044 2.263) 12.329 12.388 ( -2.041 -3.107 -4.654) 5.956 12.638 ( -5.386 8.173 3.201) 10.298 12.710 ( -4.384 5.381 -3.970) 7.996 12.887 ( 0.230 6.326 2.293) 6.733 12.978 ( 3.373 7.901 -1.654) 8.749 13.192 ( -15.988 -1.627 0.326) 16.074 13.391 ( -7.110 4.920 -0.944) 8.697 13.446 ( -3.204 5.636 0.515) 6.503 13.689 ( -3.408 -1.119 6.214) 7.175 13.920 ( -10.083 16.799 7.451) 20.962 14.190 ( -8.721 9.742 -12.135) 17.839 15.944 ( 32.361 3.406 -3.856) 32.768 16.049 ( 13.307 5.478 -2.724) 14.646 16.115 ( 17.997 6.902 9.707) 21.581 16.226 ( 4.093 5.627 -4.859) 8.487 16.364 ( 37.394 2.698 4.017) 37.706 16.416 ( 13.368 7.590 0.716) 15.389 18.005 ( 2.613 -20.185 -14.141) 24.783 18.110 ( -1.244 -13.774 3.964) 14.387 18.285 ( 3.744 -12.681 3.249) 13.615 18.356 ( 3.042 -11.334 4.425) 12.542 18.641 ( -0.207 -1.718 1.217) 2.115 18.778 ( 5.481 -5.456 -1.504) 7.878 19.098 ( -7.617 1.172 -1.367) 7.827 19.290 ( 2.073 -6.147 0.429) 6.502 19.568 ( -3.972 -15.079 6.711) 16.976 19.665 ( -0.306 -12.706 -5.986) 14.049 22.683 ( 22.894 15.382 -9.346) 29.122 22.741 ( 25.411 13.384 11.944) 31.105 24.663 ( 1.234 -14.862 8.260) 17.047 24.747 ( 4.353 -17.957 -8.008) 20.138 24.944 ( -4.770 4.327 -2.991) 7.101 24.989 ( -3.706 4.575 2.383) 6.352 25.642 ( -4.566 -3.860 6.201) 8.613 25.730 ( -2.139 -5.221 -5.668) 7.997 ======================= Grid point 141 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.147 ( 15.316 7.490 3.593) 17.424 2.242 ( 17.142 9.227 0.970) 19.492 2.378 ( 18.445 4.728 -1.963) 19.142 2.523 ( 9.366 6.029 -2.614) 11.441 2.738 ( -1.874 -1.720 -1.923) 3.189 2.780 ( -3.766 0.061 2.081) 4.303 3.002 ( -9.740 2.943 -1.166) 10.241 3.147 ( -11.540 -1.208 2.633) 11.898 3.426 ( 10.739 -2.924 -4.613) 12.048 3.574 ( 6.431 -0.796 3.051) 7.162 3.700 ( 1.205 -4.797 15.235) 16.018 3.754 ( -2.167 -1.661 -15.824) 16.058 3.900 ( 20.422 7.153 9.814) 23.760 4.102 ( 12.180 4.732 -2.577) 13.319 4.115 ( 10.636 -2.806 -2.489) 11.278 4.136 ( 4.277 -5.404 0.121) 6.893 4.213 ( 7.593 -1.058 -7.371) 10.635 4.420 ( 7.684 1.062 4.418) 8.927 4.483 ( 23.553 0.598 5.399) 24.171 4.537 ( 17.491 1.410 -1.712) 17.631 4.682 ( 10.713 -0.707 1.843) 10.894 4.780 ( 17.351 -1.622 0.490) 17.434 4.832 ( 2.294 1.298 -1.257) 2.920 4.946 ( 22.938 -2.909 -3.478) 23.382 5.288 ( -6.844 0.469 -4.401) 8.151 5.311 ( -1.080 -2.418 0.335) 2.669 5.466 ( -0.482 2.016 2.805) 3.488 5.577 ( -2.102 1.282 3.784) 4.514 5.666 ( 0.187 2.569 1.705) 3.089 5.839 ( 5.029 4.859 0.430) 7.006 6.040 ( -0.341 1.517 3.652) 3.969 6.151 ( -2.170 -1.005 0.135) 2.395 6.255 ( -9.398 1.058 0.189) 9.460 6.340 ( 4.430 -3.026 2.453) 5.899 6.346 ( 5.404 -4.950 -6.683) 9.918 6.468 ( -5.326 -1.738 -2.169) 6.007 6.674 ( 1.134 -2.442 -4.393) 5.152 6.706 ( -5.181 -1.655 4.224) 6.886 6.772 ( -5.627 -1.784 -8.630) 10.455 6.887 ( 3.323 0.216 6.268) 7.098 6.992 ( 2.402 2.797 -1.755) 4.083 7.044 ( 1.895 3.080 0.262) 3.625 7.563 ( -5.833 -5.581 2.657) 8.499 7.649 ( -17.705 -1.206 0.629) 17.757 7.735 ( -5.302 1.057 4.749) 7.196 7.808 ( -1.458 2.181 2.725) 3.782 7.882 ( -2.427 -3.738 -3.133) 5.448 8.029 ( -4.391 1.162 -4.869) 6.659 8.138 ( -1.910 0.631 -0.678) 2.123 8.359 ( -0.685 -2.264 -3.943) 4.598 8.812 ( -4.309 -0.433 3.233) 5.404 8.866 ( -1.872 -4.424 -2.112) 5.247 9.087 ( -4.236 -5.636 -2.115) 7.360 9.235 ( 4.426 -9.261 -1.836) 10.427 9.409 ( -3.063 -0.006 -0.979) 3.216 9.460 ( -5.093 0.176 6.402) 8.182 9.766 ( 10.098 -0.720 4.095) 10.920 9.914 ( 2.281 0.295 -2.692) 3.541 10.137 ( 0.888 -2.450 1.006) 2.793 10.300 ( -6.455 -0.389 -0.251) 6.471 10.399 ( 2.228 -3.704 -1.739) 4.659 10.407 ( -0.236 -6.053 -1.681) 6.287 10.639 ( 6.891 -7.807 3.863) 11.106 10.865 ( 0.035 -4.407 -2.184) 4.918 11.014 ( 5.278 -5.679 3.128) 8.360 11.057 ( 10.521 -3.045 -4.250) 11.748 11.347 ( 11.643 -0.946 7.517) 13.891 11.370 ( -4.567 -0.732 -2.622) 5.317 11.427 ( -3.573 -2.636 4.815) 6.550 11.596 ( -2.307 4.019 -5.070) 6.868 11.662 ( 1.026 2.677 1.421) 3.200 11.900 ( -11.948 -5.207 -2.827) 13.336 11.929 ( -0.649 1.842 -1.411) 2.409 12.267 ( -9.162 1.767 -4.227) 10.244 12.501 ( -6.491 3.104 -1.738) 7.402 12.626 ( -5.249 1.521 2.358) 5.952 12.803 ( -4.827 4.484 1.661) 6.795 13.007 ( -0.061 3.922 1.894) 4.356 13.056 ( 3.041 6.203 0.556) 6.931 13.193 ( -9.432 4.848 -3.388) 11.133 13.368 ( -3.336 6.648 0.165) 7.440 13.495 ( -9.159 8.104 4.108) 12.901 13.851 ( 0.086 8.931 7.429) 11.617 14.016 ( -6.784 8.114 -9.708) 14.357 16.205 ( 5.090 8.745 -17.182) 19.940 16.251 ( 3.217 9.073 16.165) 18.815 16.359 ( 7.243 11.790 11.852) 18.219 16.501 ( 3.781 12.896 -11.935) 17.973 17.100 ( 44.879 4.570 -2.027) 45.157 17.242 ( 37.671 1.393 1.570) 37.729 18.018 ( -6.795 -8.884 0.723) 11.208 18.171 ( 10.695 -19.423 -1.845) 22.249 18.328 ( -2.644 -11.400 1.094) 11.754 18.437 ( 3.733 -16.360 2.309) 16.938 18.637 ( -0.703 -2.655 1.343) 3.057 18.784 ( -9.234 -1.316 -0.740) 9.357 19.012 ( 4.440 -3.587 -4.928) 7.541 19.293 ( -2.977 -12.799 2.063) 13.301 19.515 ( 0.214 -9.787 5.820) 11.389 19.633 ( -2.461 -9.374 -5.066) 10.936 23.363 ( 37.081 10.629 -11.665) 40.300 23.462 ( 37.818 7.941 13.294) 40.866 24.670 ( -11.864 3.720 3.449) 12.903 24.775 ( -15.065 4.699 -3.272) 16.117 24.858 ( 7.019 -11.844 3.990) 14.334 24.920 ( 10.029 -13.177 -4.932) 17.278 25.495 ( -9.528 -5.023 8.035) 13.438 25.579 ( -12.125 -6.340 -7.001) 15.370 ======================= Grid point 142 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.443 ( -6.153 3.692 -4.744) 8.601 2.443 ( 6.152 3.692 4.744) 8.601 2.585 ( 3.731 4.074 -3.255) 6.412 2.585 ( -3.731 4.074 3.255) 6.412 2.762 ( -7.928 3.041 -7.006) 11.009 2.762 ( 7.928 3.041 7.006) 11.009 2.870 ( 6.016 -0.624 -4.388) 7.473 2.870 ( -6.016 -0.624 4.388) 7.473 3.614 ( 6.549 -4.830 -10.545) 13.319 3.614 ( -6.549 -4.830 10.545) 13.319 3.678 ( -3.282 -1.255 -13.391) 13.845 3.678 ( 3.282 -1.255 13.391) 13.845 4.162 ( 1.043 -3.161 -5.423) 6.363 4.162 ( -1.043 -3.161 5.423) 6.363 4.218 ( -0.485 -3.506 -8.283) 9.007 4.218 ( 0.485 -3.506 8.283) 9.007 4.427 ( -6.127 6.817 -3.240) 9.721 4.427 ( 6.127 6.817 3.240) 9.721 4.560 ( -1.940 2.462 -16.989) 17.276 4.560 ( 1.940 2.462 16.989) 17.276 5.040 ( -11.981 0.149 -3.771) 12.561 5.040 ( 11.981 0.149 3.771) 12.561 5.143 ( -3.467 1.087 -0.894) 3.741 5.143 ( 3.467 1.087 0.894) 3.741 5.317 ( -6.512 -0.806 -3.192) 7.297 5.317 ( 6.512 -0.806 3.192) 7.297 5.426 ( 1.863 -1.652 -4.125) 4.818 5.426 ( -1.863 -1.652 4.125) 4.818 5.848 ( -15.050 3.822 1.117) 15.567 5.848 ( 15.050 3.822 -1.117) 15.567 6.031 ( -4.644 -1.438 -3.446) 5.959 6.031 ( 4.644 -1.438 3.446) 5.959 6.233 ( -13.576 2.623 -4.900) 14.670 6.233 ( 13.576 2.623 4.900) 14.670 6.444 ( -2.939 -4.734 -3.118) 6.385 6.444 ( 2.939 -4.734 3.118) 6.385 6.675 ( -2.093 -3.625 -8.130) 9.144 6.675 ( 2.093 -3.625 8.130) 9.144 6.764 ( -5.159 1.835 -4.033) 6.800 6.764 ( 5.159 1.835 4.033) 6.800 7.190 ( 5.274 2.245 -9.220) 10.856 7.190 ( -5.274 2.245 9.220) 10.856 7.361 ( -8.158 -3.703 -10.436) 13.754 7.361 ( 8.158 -3.703 10.436) 13.754 7.699 ( -4.104 -0.541 -1.389) 4.366 7.699 ( 4.104 -0.541 1.389) 4.366 7.935 ( -5.103 -0.820 -2.535) 5.756 7.935 ( 5.103 -0.820 2.535) 5.756 8.252 ( -4.911 2.409 -4.682) 7.201 8.252 ( 4.911 2.409 4.682) 7.201 8.760 ( -0.268 0.304 -3.017) 3.044 8.760 ( 0.268 0.304 3.017) 3.044 9.161 ( -3.753 -1.635 -6.754) 7.898 9.161 ( 3.753 -1.635 6.754) 7.898 9.407 ( 0.499 -6.162 -5.388) 8.200 9.407 ( -0.499 -6.162 5.388) 8.200 9.904 ( -2.890 0.165 -5.527) 6.239 9.904 ( 2.890 0.165 5.527) 6.239 10.175 ( -0.912 2.193 -1.404) 2.759 10.175 ( 0.912 2.193 1.404) 2.759 10.405 ( -0.288 -6.177 -1.985) 6.494 10.405 ( 0.288 -6.177 1.985) 6.494 10.794 ( -5.088 -8.508 -2.318) 10.181 10.794 ( 5.088 -8.508 2.318) 10.181 11.163 ( -3.110 -2.311 -4.405) 5.867 11.163 ( 3.110 -2.311 4.405) 5.867 11.312 ( 3.631 2.626 -5.566) 7.146 11.312 ( -3.631 2.626 5.566) 7.146 11.538 ( -7.344 -1.594 -3.305) 8.210 11.538 ( 7.344 -1.594 3.305) 8.210 11.748 ( -0.159 -4.836 -1.973) 5.225 11.748 ( 0.159 -4.836 1.973) 5.225 12.019 ( -7.375 3.108 -7.025) 10.649 12.019 ( 7.375 3.108 7.025) 10.649 12.457 ( 0.514 -0.783 -6.128) 6.200 12.457 ( -0.514 -0.783 6.128) 6.200 12.899 ( -2.183 6.400 -6.563) 9.423 12.899 ( 2.183 6.400 6.563) 9.423 13.105 ( 1.264 4.013 -3.573) 5.519 13.105 ( -1.264 4.013 3.573) 5.519 13.354 ( 2.713 8.984 -2.066) 9.609 13.354 ( -2.713 8.984 2.066) 9.609 13.896 ( -3.685 7.649 -9.270) 12.571 13.896 ( 3.685 7.649 9.270) 12.571 16.274 ( 1.365 10.909 -15.998) 19.411 16.274 ( -1.365 10.909 15.998) 19.411 16.475 ( -3.669 13.337 -14.789) 20.249 16.475 ( 3.669 13.337 14.789) 20.249 17.760 ( -8.547 -5.352 -1.993) 10.280 17.760 ( 8.547 -5.352 1.993) 10.280 18.016 ( -26.268 -2.148 1.630) 26.406 18.016 ( 26.268 -2.148 -1.630) 26.406 18.405 ( -7.697 -9.681 -5.291) 13.452 18.405 ( 7.697 -9.681 5.291) 13.452 18.626 ( 0.070 -7.183 -4.931) 8.713 18.626 ( -0.070 -7.183 4.931) 8.713 19.166 ( 5.070 -10.596 -4.549) 12.597 19.166 ( -5.070 -10.596 4.549) 12.597 19.566 ( -2.741 -7.687 -5.859) 10.046 19.566 ( 2.741 -7.687 5.859) 10.046 24.110 ( 14.189 7.417 -8.302) 18.035 24.110 ( -14.189 7.417 8.302) 18.035 24.292 ( -16.150 6.171 -9.796) 19.871 24.292 ( 16.150 6.171 9.796) 19.871 25.132 ( -2.649 -9.075 -7.367) 11.985 25.132 ( 2.649 -9.075 7.367) 11.985 25.291 ( -2.619 -9.840 -7.979) 12.936 25.291 ( 2.619 -9.840 7.979) 12.936 ======================= Grid point 147 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.004 ( -4.200 12.820 -4.035) 14.081 2.004 ( 4.200 12.820 4.035) 14.081 2.162 ( 1.262 12.917 -5.037) 13.922 2.162 ( -1.262 12.917 5.037) 13.922 2.354 ( -0.031 -4.426 -3.399) 5.581 2.354 ( 0.031 -4.426 3.399) 5.581 2.813 ( -2.311 -5.293 -1.769) 6.040 2.813 ( 2.311 -5.293 1.769) 6.040 3.303 ( 0.633 3.729 -4.677) 6.015 3.303 ( -0.633 3.729 4.677) 6.015 3.477 ( -0.789 -2.084 -4.406) 4.937 3.477 ( 0.789 -2.084 4.406) 4.937 3.591 ( -4.616 -3.119 -3.065) 6.359 3.591 ( 4.616 -3.119 3.065) 6.359 3.799 ( -2.406 -5.172 -2.616) 6.275 3.799 ( 2.406 -5.172 2.616) 6.275 4.068 ( 3.406 8.260 -12.132) 15.066 4.068 ( -3.406 8.260 12.132) 15.066 4.232 ( 3.313 1.199 -9.982) 10.585 4.232 ( -3.313 1.199 9.982) 10.585 4.371 ( -1.705 5.121 -16.410) 17.275 4.371 ( 1.705 5.121 16.410) 17.275 4.845 ( 3.504 -4.347 -18.197) 19.035 4.845 ( -3.504 -4.347 18.197) 19.035 5.217 ( -1.226 -11.082 -0.027) 11.149 5.217 ( 1.226 -11.082 0.027) 11.149 5.671 ( 0.649 6.648 -3.895) 7.733 5.671 ( -0.649 6.648 3.895) 7.733 5.836 ( 3.527 4.811 -7.416) 9.518 5.836 ( -3.527 4.811 7.416) 9.518 6.043 ( 1.884 2.026 -4.034) 4.892 6.043 ( -1.884 2.026 4.034) 4.892 6.243 ( -3.477 1.099 -3.849) 5.302 6.243 ( 3.477 1.099 3.849) 5.302 6.328 ( -0.022 2.511 -7.271) 7.693 6.328 ( 0.022 2.511 7.271) 7.693 6.721 ( 1.013 -7.836 -2.966) 8.439 6.721 ( -1.013 -7.836 2.966) 8.439 6.822 ( 2.813 -2.518 -7.769) 8.638 6.822 ( -2.813 -2.518 7.769) 8.638 7.293 ( -10.114 -4.162 -4.056) 11.665 7.293 ( 10.114 -4.162 4.056) 11.665 7.407 ( 3.261 -0.536 -7.785) 8.458 7.407 ( -3.261 -0.536 7.785) 8.458 7.877 ( 1.531 -12.439 -24.553) 27.567 7.877 ( -1.531 -12.439 24.553) 27.567 7.934 ( -5.617 -0.235 -8.540) 10.224 7.934 ( 5.617 -0.235 8.540) 10.224 8.510 ( 5.089 -3.730 -5.119) 8.125 8.510 ( -5.089 -3.730 5.119) 8.125 8.674 ( -0.632 -0.994 -3.304) 3.507 8.674 ( 0.632 -0.994 3.304) 3.507 8.943 ( 2.305 -4.446 -4.074) 6.456 8.943 ( -2.305 -4.446 4.074) 6.456 9.259 ( 1.330 -1.076 -2.291) 2.859 9.259 ( -1.330 -1.076 2.291) 2.859 9.809 ( -5.003 -0.313 -2.741) 5.713 9.809 ( 5.003 -0.313 2.741) 5.713 10.033 ( 0.514 -2.201 -3.509) 4.174 10.033 ( -0.514 -2.201 3.509) 4.174 10.214 ( -1.739 -2.125 -4.868) 5.589 10.214 ( 1.739 -2.125 4.868) 5.589 10.663 ( 3.329 1.785 -5.342) 6.543 10.663 ( -3.329 1.785 5.342) 6.543 10.920 ( 1.541 -1.405 -4.703) 5.145 10.920 ( -1.541 -1.405 4.703) 5.145 11.192 ( 1.847 -2.015 -1.324) 3.037 11.192 ( -1.847 -2.015 1.324) 3.037 11.681 ( 1.966 0.287 -3.508) 4.031 11.681 ( -1.966 0.287 3.508) 4.031 11.970 ( -0.061 6.570 -8.986) 11.132 11.970 ( 0.061 6.570 8.986) 11.132 12.300 ( 2.478 -3.311 -8.815) 9.736 12.300 ( -2.478 -3.311 8.815) 9.736 12.855 ( -0.425 5.767 -1.744) 6.040 12.855 ( 0.425 5.767 1.744) 6.040 13.063 ( -2.805 7.124 -3.034) 8.235 13.063 ( 2.805 7.124 3.034) 8.235 13.416 ( -7.962 -3.936 -3.478) 9.539 13.416 ( 7.962 -3.936 3.478) 9.539 13.646 ( -2.357 4.202 -3.775) 6.121 13.646 ( 2.357 4.202 3.775) 6.121 14.458 ( 6.286 9.454 -10.937) 15.764 14.458 ( -6.286 9.454 10.937) 15.764 15.646 ( -9.127 1.102 -2.235) 9.461 15.646 ( 9.127 1.102 2.235) 9.461 15.987 ( -4.503 2.424 -2.091) 5.525 15.987 ( 4.503 2.424 2.091) 5.525 16.315 ( -0.767 3.854 -15.663) 16.149 16.315 ( 0.767 3.854 15.663) 16.149 17.857 ( -2.443 -2.200 -16.799) 17.117 17.857 ( 2.443 -2.200 16.799) 17.117 18.151 ( -1.711 -5.559 -2.390) 6.288 18.151 ( 1.711 -5.559 2.390) 6.288 18.606 ( -0.386 -3.445 -3.825) 5.162 18.606 ( 0.386 -3.445 3.825) 5.162 19.051 ( 0.999 -16.417 -3.945) 16.914 19.051 ( -0.999 -16.417 3.945) 16.914 19.424 ( 0.657 -4.959 -6.752) 8.403 19.424 ( -0.657 -4.959 6.752) 8.403 22.718 ( 0.161 10.079 -7.141) 12.354 22.718 ( -0.161 10.079 7.141) 12.354 24.383 ( 0.563 -11.582 -8.588) 14.429 24.383 ( -0.563 -11.582 8.588) 14.429 25.123 ( -1.107 7.206 -3.741) 8.194 25.123 ( 1.107 7.206 3.741) 8.194 25.604 ( 1.255 -6.589 -4.766) 8.228 25.604 ( -1.255 -6.589 4.766) 8.228 ======================= Grid point 149 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.074 ( 8.073 11.806 -2.824) 14.578 2.164 ( 13.196 10.053 1.180) 16.631 2.235 ( 7.766 15.489 2.304) 17.480 2.385 ( 12.195 4.527 -1.837) 13.137 2.651 ( 9.969 -6.549 -1.289) 11.997 2.723 ( 10.945 1.664 0.598) 11.087 2.886 ( 30.475 -1.437 -0.876) 30.522 3.119 ( 16.268 -0.198 -3.280) 16.597 3.288 ( -1.743 -1.456 1.537) 2.742 3.359 ( -5.788 -0.798 -1.930) 6.153 3.463 ( 14.087 -2.590 -2.458) 14.532 3.541 ( 6.936 -4.373 -2.539) 8.584 3.581 ( 4.622 -7.755 5.053) 10.346 3.792 ( 14.202 -1.542 1.474) 14.361 3.822 ( 11.135 -0.371 -0.400) 11.148 3.880 ( 5.981 -5.685 -0.591) 8.273 4.100 ( 6.330 6.625 14.885) 17.479 4.199 ( 2.059 -0.456 1.170) 2.411 4.219 ( 1.483 7.771 -8.828) 11.855 4.324 ( 8.961 9.253 -13.384) 18.575 4.421 ( 5.462 0.500 8.151) 9.824 4.496 ( 12.018 4.777 9.823) 16.240 4.787 ( -1.363 -5.152 10.196) 11.505 4.894 ( 1.305 0.335 -17.716) 17.767 5.217 ( 1.647 -8.502 3.897) 9.497 5.261 ( 2.317 -8.678 -1.143) 9.054 5.573 ( -2.480 3.074 -0.943) 4.061 5.665 ( -5.704 6.612 3.464) 9.394 5.767 ( -0.030 6.566 4.101) 7.742 5.911 ( 0.414 4.855 -1.887) 5.225 6.049 ( 1.978 0.525 4.603) 5.037 6.127 ( 1.617 1.976 -4.887) 5.514 6.165 ( 0.119 -1.825 -6.206) 6.470 6.258 ( -0.319 -0.106 1.521) 1.557 6.406 ( 3.396 3.317 1.403) 4.950 6.449 ( 4.733 -0.653 -0.421) 4.796 6.636 ( -3.165 -7.226 -2.153) 8.177 6.689 ( -1.528 -3.215 -1.512) 3.868 6.807 ( 1.108 -1.558 3.486) 3.976 6.882 ( -1.385 1.368 -5.984) 6.293 7.081 ( -7.776 -1.914 -3.776) 8.854 7.214 ( -8.261 0.612 4.353) 9.358 7.527 ( 6.880 -2.702 4.142) 8.473 7.667 ( 8.288 -0.788 -4.120) 9.289 7.787 ( -0.013 -7.787 7.703) 10.953 7.846 ( -0.638 -4.569 -4.935) 6.756 7.946 ( -3.091 -1.824 -9.351) 10.016 8.068 ( -1.797 0.964 5.320) 5.698 8.256 ( -6.508 -5.815 1.391) 8.838 8.377 ( -7.925 -9.354 -2.362) 12.485 8.546 ( -1.781 -3.167 0.319) 3.647 8.628 ( 1.151 -4.811 2.151) 5.395 9.146 ( 2.106 -2.479 -6.105) 6.918 9.176 ( 1.750 -3.157 -8.129) 8.894 9.301 ( 8.765 -0.361 7.982) 11.860 9.395 ( 13.766 -2.543 5.196) 14.933 9.733 ( -4.967 3.902 5.410) 8.317 9.838 ( -0.923 0.086 0.818) 1.236 9.954 ( 5.576 -3.929 3.565) 7.697 10.117 ( 2.075 -6.645 -2.445) 7.378 10.289 ( 9.077 -0.006 -5.044) 10.384 10.383 ( 5.298 -1.454 -2.969) 6.245 10.598 ( 2.783 0.561 5.996) 6.634 10.677 ( -4.067 0.315 -2.517) 4.793 10.878 ( 0.792 -1.016 1.871) 2.272 10.919 ( -3.090 -4.423 -3.090) 6.218 11.165 ( 0.674 -0.708 4.246) 4.357 11.270 ( 5.040 -2.602 2.057) 6.034 11.570 ( -6.789 1.336 0.390) 6.930 11.702 ( -1.802 -1.778 -4.389) 5.066 11.861 ( -7.403 5.802 -0.639) 9.428 11.992 ( 0.372 6.122 -1.442) 6.300 12.128 ( -11.515 -2.511 3.733) 12.363 12.322 ( -1.046 -3.504 -6.144) 7.150 12.778 ( -8.298 6.195 0.242) 10.358 12.836 ( -1.881 6.407 -0.303) 6.684 12.997 ( -0.628 4.125 2.426) 4.826 13.109 ( -7.931 1.802 -2.276) 8.445 13.167 ( -4.203 2.963 -1.813) 5.453 13.438 ( -4.855 -0.132 -0.856) 4.932 13.564 ( -3.978 5.437 1.467) 6.894 13.680 ( -1.330 0.247 7.544) 7.664 14.207 ( -11.600 11.533 7.250) 17.892 14.351 ( -10.729 5.948 -11.066) 16.522 16.025 ( 36.030 4.767 -2.401) 36.423 16.173 ( 16.655 6.091 -4.607) 18.323 16.239 ( 18.557 5.129 8.059) 20.871 16.357 ( 14.168 5.548 -9.416) 17.893 16.382 ( 33.812 0.170 10.324) 35.353 16.539 ( 21.205 4.122 1.638) 21.664 17.767 ( -3.772 -2.854 -15.982) 16.667 17.877 ( 0.543 -6.860 9.296) 11.566 18.115 ( -0.863 -5.506 0.321) 5.583 18.176 ( -0.165 -7.286 2.324) 7.649 18.596 ( 0.393 -2.378 -0.320) 2.431 18.668 ( 3.677 -5.232 -0.022) 6.395 19.013 ( -2.518 -14.866 3.805) 15.550 19.049 ( -1.439 -15.353 -4.563) 16.081 19.321 ( -4.892 -5.343 2.647) 7.713 19.479 ( 1.139 -5.927 -1.734) 6.279 22.925 ( 20.355 9.314 0.434) 22.388 22.975 ( 22.274 9.446 2.105) 24.286 24.388 ( 2.739 -11.485 3.186) 12.229 24.443 ( 4.751 -12.245 -3.831) 13.682 25.067 ( -4.806 7.592 -3.772) 9.745 25.108 ( -3.708 6.915 3.443) 8.569 25.547 ( -4.212 -5.616 4.760) 8.481 25.605 ( -2.630 -7.270 -4.403) 8.897 ======================= Grid point 151 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.284 ( 11.682 6.356 -0.830) 13.325 2.416 ( 10.518 8.104 -7.120) 15.067 2.551 ( 15.834 9.977 7.435) 20.138 2.581 ( 6.458 -1.668 1.507) 6.838 2.719 ( -2.761 1.095 -1.185) 3.198 2.759 ( 0.301 1.056 -1.589) 1.931 3.052 ( -8.815 1.713 2.274) 9.264 3.111 ( -11.346 -1.826 -0.127) 11.492 3.403 ( 8.004 0.031 -11.125) 13.705 3.562 ( 2.137 -3.543 0.665) 4.190 3.573 ( 2.685 -6.155 10.440) 12.413 3.668 ( 2.110 -6.655 -2.335) 7.362 3.892 ( 22.431 -2.862 4.236) 23.006 3.973 ( 5.196 -7.003 -6.438) 10.839 4.130 ( 0.263 2.968 -2.027) 3.603 4.175 ( 1.994 -0.103 7.330) 7.597 4.215 ( 7.801 -2.317 -5.443) 9.790 4.477 ( 18.352 3.964 9.484) 21.035 4.531 ( 22.654 2.332 2.693) 22.932 4.611 ( 22.774 0.338 -0.483) 22.782 4.634 ( 12.991 0.419 1.191) 13.052 4.773 ( 12.983 0.724 -0.629) 13.018 4.873 ( 14.634 6.901 1.844) 16.284 4.994 ( 11.893 6.309 -9.245) 16.331 5.267 ( 1.821 -1.204 2.465) 3.293 5.321 ( 1.155 1.078 -6.423) 6.615 5.516 ( -3.069 3.238 2.332) 5.034 5.592 ( -0.864 -0.185 3.184) 3.304 5.739 ( -1.913 4.842 1.110) 5.323 5.915 ( 1.739 2.930 -1.002) 3.552 6.046 ( -4.482 -0.911 0.073) 4.574 6.124 ( 2.826 -1.161 4.231) 5.219 6.235 ( 0.549 -5.416 -2.626) 6.044 6.250 ( -2.563 -2.780 -0.249) 3.789 6.328 ( -3.875 0.973 -0.277) 4.005 6.426 ( -3.124 -1.889 -1.662) 4.011 6.625 ( 0.881 -2.264 -1.617) 2.918 6.633 ( -4.714 -3.946 -2.518) 6.643 6.805 ( -3.363 3.524 0.557) 4.903 6.881 ( 0.215 -0.582 1.205) 1.355 7.025 ( 3.790 0.800 -1.708) 4.233 7.095 ( 2.004 1.890 -0.251) 2.767 7.478 ( -9.349 -2.588 1.696) 9.847 7.612 ( -17.863 -2.648 0.229) 18.060 7.776 ( -0.493 3.287 1.989) 3.874 7.798 ( 0.107 -3.204 -0.790) 3.302 7.869 ( -2.955 1.647 2.574) 4.251 8.023 ( 0.438 -1.323 -2.345) 2.727 8.113 ( -7.218 -2.718 -1.357) 7.831 8.298 ( 4.485 -4.108 -4.623) 7.640 8.745 ( 12.298 -5.029 -1.208) 13.342 8.796 ( 4.524 -1.297 2.666) 5.408 9.007 ( -8.844 -3.623 -3.907) 10.325 9.060 ( -0.751 -6.647 -1.975) 6.974 9.438 ( -6.683 2.222 -0.435) 7.056 9.485 ( -3.613 1.476 8.717) 9.551 9.749 ( 9.489 -0.553 3.902) 10.275 9.931 ( 0.264 -0.047 -2.755) 2.768 10.046 ( 8.096 -3.562 4.808) 10.067 10.292 ( 5.274 -2.203 -2.508) 6.241 10.308 ( -0.881 -0.999 -2.835) 3.132 10.398 ( -2.945 -0.078 -2.602) 3.931 10.536 ( -3.088 -2.192 1.791) 4.189 10.789 ( -6.344 -4.448 -2.699) 8.204 10.878 ( 15.220 -4.275 4.020) 16.312 11.043 ( 11.173 -1.016 -2.563) 11.508 11.243 ( 5.587 -4.676 3.165) 7.943 11.358 ( 1.649 -2.221 6.392) 6.965 11.433 ( -3.429 1.995 0.854) 4.058 11.621 ( -4.775 -4.128 -1.618) 6.516 11.674 ( -8.383 2.609 -5.525) 10.374 11.836 ( -14.154 -2.517 0.645) 14.391 12.013 ( 2.364 6.475 -1.325) 7.019 12.283 ( -2.606 -0.753 -5.215) 5.878 12.563 ( -9.673 3.041 -0.877) 10.178 12.645 ( -15.727 0.504 0.161) 15.736 12.922 ( 1.474 6.612 1.495) 6.937 13.072 ( 2.395 2.347 5.209) 6.195 13.174 ( 0.160 5.352 -2.676) 5.985 13.274 ( -8.445 3.059 -3.100) 9.502 13.496 ( -1.867 5.789 0.476) 6.101 13.601 ( -4.984 2.914 6.320) 8.560 14.036 ( -4.052 8.448 7.326) 11.894 14.146 ( -7.598 4.674 -10.235) 13.577 16.388 ( 7.231 8.976 -12.461) 16.974 16.436 ( 8.570 8.395 10.086) 15.673 16.627 ( 8.105 14.658 11.613) 20.382 16.739 ( 11.715 10.449 -10.140) 18.688 17.180 ( 31.912 1.525 -4.106) 32.211 17.248 ( 35.694 -1.992 5.608) 36.186 17.870 ( 11.282 -5.253 -3.857) 13.029 17.876 ( 3.284 -5.530 -0.420) 6.446 18.122 ( -5.098 -9.078 1.369) 10.501 18.189 ( 9.091 -8.253 2.177) 12.470 18.594 ( -1.372 -1.646 -0.577) 2.219 18.728 ( -0.466 -4.414 1.512) 4.689 18.932 ( -5.030 -6.586 -2.122) 8.555 18.982 ( -3.660 -16.644 -0.012) 17.042 19.271 ( 1.484 -11.001 1.155) 11.161 19.470 ( -2.320 -7.869 -0.493) 8.219 23.560 ( 35.740 9.030 -4.204) 37.102 23.633 ( 35.775 8.773 6.034) 37.327 24.554 ( 13.213 -11.919 2.059) 17.913 24.625 ( 11.946 -12.079 -2.797) 17.217 24.864 ( -14.197 7.300 -1.984) 16.087 24.907 ( -15.713 6.768 1.549) 17.178 25.379 ( -12.334 -6.516 6.418) 15.355 25.434 ( -13.937 -8.105 -5.779) 17.127 ======================= Grid point 152 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.523 ( 0.195 3.874 -4.685) 6.083 2.523 ( -0.195 3.874 4.685) 6.083 2.635 ( 1.613 0.605 -5.787) 6.038 2.635 ( -1.613 0.605 5.787) 6.038 2.819 ( -2.028 2.663 -2.259) 4.038 2.819 ( 2.028 2.663 2.259) 4.038 2.877 ( -5.444 3.202 -3.841) 7.392 2.877 ( 5.444 3.202 3.841) 7.392 3.534 ( 3.895 -4.664 -10.999) 12.566 3.534 ( -3.895 -4.664 10.999) 12.566 3.634 ( -2.258 -4.495 -8.296) 9.702 3.634 ( 2.258 -4.495 8.296) 9.702 4.065 ( 1.995 -3.431 -9.262) 10.077 4.065 ( -1.995 -3.431 9.262) 10.077 4.133 ( -4.027 -3.398 -0.603) 5.304 4.133 ( 4.027 -3.398 0.603) 5.304 4.494 ( -5.879 0.695 -7.572) 9.611 4.494 ( 5.879 0.695 7.572) 9.611 4.671 ( -4.608 4.810 -4.731) 8.170 4.671 ( 4.608 4.810 4.731) 8.170 5.079 ( -10.076 2.350 -0.834) 10.380 5.079 ( 10.075 2.350 0.834) 10.380 5.198 ( 0.847 6.199 -3.985) 7.418 5.198 ( -0.847 6.199 3.985) 7.418 5.337 ( 4.474 0.983 -6.285) 7.777 5.337 ( -4.474 0.983 6.285) 7.777 5.425 ( -6.683 2.628 -1.731) 7.386 5.425 ( 6.683 2.628 1.731) 7.386 5.882 ( -0.051 -1.571 -1.844) 2.423 5.882 ( 0.051 -1.571 1.844) 2.423 5.989 ( -4.802 -1.508 -0.439) 5.052 5.989 ( 4.802 -1.508 0.439) 5.052 6.262 ( -6.400 0.005 -2.973) 7.057 6.262 ( 6.400 0.005 2.973) 7.057 6.378 ( -3.938 -1.426 -2.250) 4.755 6.378 ( 3.938 -1.426 2.250) 4.755 6.608 ( -0.353 -2.786 -4.376) 5.199 6.608 ( 0.353 -2.786 4.376) 5.199 6.794 ( -3.534 1.050 -2.455) 4.429 6.794 ( 3.534 1.050 2.455) 4.429 7.206 ( 2.573 -1.219 -4.736) 5.526 7.206 ( -2.573 -1.219 4.736) 5.526 7.284 ( -7.499 -2.870 -8.998) 12.060 7.284 ( 7.499 -2.870 8.998) 12.060 7.721 ( -0.654 2.706 -0.166) 2.789 7.721 ( 0.654 2.706 0.166) 2.789 7.915 ( -2.722 -1.441 -3.239) 4.470 7.915 ( 2.722 -1.441 3.239) 4.470 8.279 ( -2.719 0.371 -5.212) 5.890 8.279 ( 2.719 0.371 5.212) 5.890 8.749 ( -1.150 -1.639 -2.921) 3.541 8.749 ( 1.150 -1.639 2.921) 3.541 9.128 ( -6.885 -0.794 -2.256) 7.289 9.128 ( 6.885 -0.794 2.256) 7.289 9.319 ( -5.090 -2.983 -4.006) 7.131 9.319 ( 5.090 -2.983 4.006) 7.131 9.888 ( -3.074 -1.728 -5.662) 6.670 9.888 ( 3.074 -1.728 5.662) 6.670 10.214 ( -5.143 2.535 -0.327) 5.743 10.214 ( 5.143 2.535 0.327) 5.743 10.344 ( -1.142 -0.665 -3.218) 3.479 10.344 ( 1.142 -0.665 3.218) 3.479 10.633 ( -7.711 -7.769 -1.043) 10.996 10.633 ( 7.711 -7.769 1.043) 10.996 11.130 ( -5.291 -0.149 -3.959) 6.610 11.130 ( 5.291 -0.149 3.959) 6.610 11.340 ( 2.108 -0.272 -5.843) 6.217 11.340 ( -2.108 -0.272 5.843) 6.217 11.501 ( -5.844 -2.882 -5.166) 8.315 11.501 ( 5.844 -2.882 5.166) 8.315 11.600 ( 4.678 -5.843 -4.694) 8.835 11.600 ( -4.678 -5.843 4.694) 8.835 12.149 ( -6.317 6.920 -5.459) 10.844 12.149 ( 6.317 6.920 5.459) 10.844 12.437 ( 0.250 -1.235 -5.272) 5.421 12.437 ( -0.250 -1.235 5.272) 5.421 13.028 ( -1.535 5.933 -3.751) 7.186 13.028 ( 1.535 5.933 3.751) 7.186 13.175 ( 0.472 2.879 -2.124) 3.609 13.175 ( -0.472 2.879 2.124) 3.609 13.506 ( 1.532 5.957 -3.661) 7.158 13.506 ( -1.532 5.957 3.661) 7.158 14.028 ( -2.900 5.247 -9.260) 11.031 14.028 ( 2.900 5.247 9.260) 11.031 16.518 ( 2.438 12.587 -12.419) 17.849 16.518 ( -2.438 12.587 12.419) 17.849 16.731 ( -5.184 11.418 -13.521) 18.441 16.731 ( 5.184 11.418 13.521) 18.441 17.637 ( -3.616 -6.427 -3.947) 8.364 17.637 ( 3.616 -6.427 3.947) 8.364 17.908 ( -13.692 -7.308 -1.004) 15.553 17.908 ( 13.692 -7.308 1.004) 15.553 18.321 ( -6.189 1.050 -4.774) 7.886 18.321 ( 6.189 1.050 4.774) 7.886 18.559 ( 0.924 0.226 -8.564) 8.616 18.559 ( -0.924 0.226 8.564) 8.616 18.915 ( 1.994 -13.836 -5.093) 14.878 18.915 ( -1.994 -13.836 5.093) 14.878 19.371 ( -1.365 -11.355 -7.190) 13.509 19.371 ( 1.365 -11.355 7.190) 13.509 24.275 ( 9.054 9.058 -5.035) 13.762 24.275 ( -9.054 9.058 5.035) 13.762 24.437 ( -8.982 8.211 -6.613) 13.850 24.437 ( 8.982 8.211 6.613) 13.850 24.934 ( -1.400 -10.467 -5.377) 11.851 24.934 ( 1.400 -10.467 5.377) 11.851 25.082 ( -4.125 -10.899 -6.490) 13.339 25.082 ( 4.125 -10.899 6.490) 13.339 ======================= Grid point 157 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.218 ( -3.285 6.661 -3.361) 8.152 2.218 ( 3.285 6.661 3.361) 8.152 2.272 ( -2.806 -1.618 -1.111) 3.424 2.272 ( 2.806 -1.618 1.111) 3.424 2.405 ( -4.744 10.276 -3.604) 11.878 2.405 ( 4.744 10.276 3.604) 11.878 2.655 ( -1.205 -9.577 -4.791) 10.776 2.655 ( 1.205 -9.577 4.791) 10.776 3.340 ( 0.278 0.172 -1.899) 1.927 3.340 ( -0.278 0.172 1.899) 1.927 3.408 ( -0.597 -2.288 -1.457) 2.777 3.408 ( 0.597 -2.288 1.457) 2.777 3.598 ( -3.932 -0.097 -1.717) 4.291 3.598 ( 3.932 -0.097 1.717) 4.291 3.745 ( 1.146 2.438 -2.734) 3.839 3.745 ( -1.146 2.438 2.734) 3.839 3.976 ( -3.666 -8.144 -6.934) 11.307 3.976 ( 3.666 -8.144 6.934) 11.307 4.402 ( 3.334 8.163 -18.903) 20.858 4.402 ( -3.334 8.163 18.903) 20.858 4.589 ( -4.162 9.507 -4.257) 11.218 4.589 ( 4.162 9.507 4.257) 11.218 4.760 ( 5.535 0.229 -13.151) 14.270 4.760 ( -5.535 0.229 13.151) 14.270 4.969 ( 1.384 -13.530 -5.096) 14.524 4.969 ( -1.384 -13.530 5.096) 14.524 5.810 ( 4.872 6.585 -6.831) 10.666 5.810 ( -4.872 6.585 6.831) 10.666 5.907 ( 4.921 0.586 -10.405) 11.525 5.907 ( -4.921 0.586 10.405) 11.525 6.074 ( 0.878 0.639 -2.645) 2.859 6.074 ( -0.878 0.639 2.645) 2.859 6.266 ( -2.229 1.220 -1.361) 2.882 6.266 ( 2.229 1.220 1.361) 2.882 6.389 ( -1.553 3.913 -5.237) 6.719 6.389 ( 1.553 3.913 5.237) 6.719 6.546 ( -3.136 -8.252 -5.108) 10.199 6.546 ( 3.136 -8.252 5.108) 10.199 6.766 ( 2.711 -2.245 -1.752) 3.932 6.766 ( -2.711 -2.245 1.752) 3.932 7.243 ( -4.747 -0.943 -1.263) 5.002 7.243 ( 4.747 -0.943 1.263) 5.002 7.399 ( 2.841 -0.363 -3.791) 4.751 7.399 ( -2.841 -0.363 3.791) 4.751 7.684 ( -0.634 -4.985 -11.968) 12.980 7.684 ( 0.634 -4.985 11.968) 12.980 7.959 ( -1.238 0.918 -2.274) 2.747 7.959 ( 1.238 0.918 2.274) 2.747 8.440 ( 0.456 -2.219 -1.448) 2.689 8.440 ( -0.456 -2.219 1.448) 2.689 8.683 ( -0.147 0.617 -0.342) 0.721 8.683 ( 0.147 0.617 0.342) 0.721 8.878 ( 0.590 -1.788 -1.655) 2.507 8.878 ( -0.590 -1.788 1.655) 2.507 9.243 ( 0.844 -0.435 -0.788) 1.234 9.243 ( -0.844 -0.435 0.788) 1.234 9.804 ( -1.688 -0.235 -1.276) 2.129 9.804 ( 1.688 -0.235 1.276) 2.129 10.001 ( 2.327 -0.740 -2.257) 3.325 10.001 ( -2.327 -0.740 2.257) 3.325 10.196 ( 0.284 -0.264 -2.550) 2.579 10.196 ( -0.284 -0.264 2.550) 2.579 10.688 ( 0.927 0.625 -2.208) 2.475 10.688 ( -0.927 0.625 2.208) 2.475 10.895 ( 0.712 -0.766 -3.036) 3.211 10.895 ( -0.712 -0.766 3.036) 3.211 11.172 ( 0.732 -0.328 -0.921) 1.221 11.172 ( -0.732 -0.328 0.921) 1.221 11.685 ( 0.793 0.086 -1.185) 1.429 11.685 ( -0.793 0.086 1.185) 1.429 12.075 ( 0.659 3.505 -6.384) 7.313 12.075 ( -0.659 3.505 6.384) 7.313 12.240 ( 1.640 -2.324 -6.404) 7.007 12.240 ( -1.640 -2.324 6.404) 7.007 12.938 ( -0.127 2.250 -1.200) 2.553 12.938 ( 0.127 2.250 1.200) 2.553 13.199 ( -5.278 6.577 -5.567) 10.105 13.199 ( 5.278 6.577 5.567) 10.105 13.321 ( -7.626 -5.523 -5.133) 10.724 13.321 ( 7.626 -5.523 5.133) 10.724 13.706 ( -0.791 1.596 -1.454) 2.299 13.706 ( 0.791 1.596 1.454) 2.299 14.586 ( 2.051 3.238 -4.577) 5.970 14.586 ( -2.051 3.238 4.577) 5.970 15.653 ( -3.923 -0.005 -0.781) 4.000 15.653 ( 3.923 -0.005 0.781) 4.000 16.023 ( -1.694 1.000 -0.560) 2.046 16.023 ( 1.694 1.000 0.560) 2.046 16.376 ( -0.503 1.827 -5.727) 6.033 16.376 ( 0.503 1.827 5.727) 6.033 17.911 ( -0.037 4.948 -7.152) 8.697 17.911 ( 0.037 4.948 7.152) 8.697 18.073 ( -0.600 -2.163 -0.923) 2.427 18.073 ( 0.600 -2.163 0.923) 2.427 18.551 ( -0.254 -1.911 -1.247) 2.296 18.551 ( 0.254 -1.911 1.247) 2.296 18.719 ( 0.429 -12.146 -3.073) 12.536 18.719 ( -0.429 -12.146 3.073) 12.536 19.383 ( -0.273 -0.617 -2.600) 2.686 19.383 ( 0.273 -0.617 2.600) 2.686 22.850 ( 0.103 3.274 -1.940) 3.807 22.850 ( -0.103 3.274 1.940) 3.807 24.230 ( 0.030 -3.858 -3.515) 5.219 24.230 ( -0.030 -3.858 3.515) 5.219 25.279 ( -0.610 7.936 -3.690) 8.773 25.279 ( 0.610 7.936 3.690) 8.773 25.459 ( 0.259 -7.616 -4.022) 8.617 25.459 ( -0.259 -7.616 4.022) 8.617 ======================= Grid point 159 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.253 ( 2.807 5.722 -3.731) 7.385 2.307 ( 8.369 1.196 -0.745) 8.487 2.398 ( 8.104 5.328 0.422) 9.708 2.497 ( 13.707 -0.488 0.893) 13.745 2.614 ( 8.902 7.817 -2.165) 12.043 2.758 ( 8.456 -1.743 -0.010) 8.633 2.894 ( 40.079 4.558 0.878) 40.347 3.052 ( 24.926 -7.073 -2.102) 25.995 3.264 ( -2.584 1.714 0.507) 3.142 3.356 ( 0.453 -3.385 -4.790) 5.883 3.361 ( 3.776 -2.999 -0.335) 4.834 3.405 ( 2.115 -6.729 1.937) 7.315 3.533 ( -0.596 3.267 -1.795) 3.775 3.663 ( 5.866 -8.602 -0.353) 10.418 3.812 ( 6.518 3.041 -3.671) 8.075 3.886 ( 8.079 -1.270 -0.475) 8.192 4.102 ( 16.684 2.064 2.545) 17.002 4.216 ( 14.467 -6.494 8.869) 18.169 4.320 ( -3.991 7.283 17.682) 19.535 4.393 ( -3.554 1.188 -3.869) 5.387 4.581 ( 4.678 8.649 -2.459) 10.136 4.674 ( 0.381 -3.966 1.257) 4.178 4.766 ( 10.942 14.056 4.867) 18.466 4.895 ( 6.701 1.243 -16.112) 17.495 5.023 ( 6.534 -9.140 2.723) 11.560 5.076 ( 8.524 -10.239 -5.089) 14.262 5.660 ( -5.193 5.169 5.402) 9.103 5.733 ( -6.882 -0.753 6.548) 9.529 5.929 ( 0.458 8.979 0.049) 8.990 6.012 ( -0.829 4.914 -1.535) 5.215 6.065 ( 0.506 -0.747 0.973) 1.327 6.087 ( 1.290 -4.993 -2.256) 5.629 6.179 ( -4.312 2.891 -3.365) 6.187 6.247 ( -2.474 -1.994 -1.010) 3.334 6.413 ( -1.197 -1.794 -0.760) 2.287 6.428 ( -0.403 -1.789 -2.097) 2.786 6.547 ( 3.681 0.586 1.352) 3.965 6.608 ( 0.392 -4.242 -0.617) 4.305 6.811 ( 5.725 2.155 -2.126) 6.476 6.873 ( 3.690 -2.912 -3.738) 6.006 7.101 ( -6.572 4.574 -0.541) 8.025 7.200 ( -6.933 -3.234 2.593) 8.077 7.498 ( 10.014 0.825 3.977) 10.806 7.591 ( 13.998 -7.350 2.945) 16.082 7.689 ( -0.495 0.038 -4.856) 4.881 7.731 ( 0.134 -3.910 -9.678) 10.439 8.002 ( -2.416 5.556 -0.911) 6.127 8.102 ( 6.982 0.746 3.985) 8.074 8.145 ( -10.805 -4.358 0.767) 11.676 8.194 ( -8.620 -6.789 4.769) 11.964 8.546 ( -6.204 1.399 0.075) 6.360 8.578 ( -4.521 -1.620 0.157) 4.805 9.111 ( 4.374 -0.741 -8.761) 9.820 9.123 ( 4.763 -1.861 -8.763) 10.146 9.304 ( 8.648 1.045 8.924) 12.471 9.343 ( 10.088 -2.595 7.896) 13.071 9.818 ( -0.586 4.147 4.952) 6.486 9.877 ( 0.066 3.981 0.497) 4.012 9.889 ( 3.717 -3.076 4.140) 6.357 9.986 ( 1.057 -6.414 -0.103) 6.502 10.311 ( 8.124 1.715 -6.041) 10.268 10.347 ( 8.116 -1.908 -4.730) 9.586 10.633 ( -1.339 2.359 1.779) 3.244 10.672 ( -2.246 -1.180 -0.320) 2.557 10.845 ( -3.460 -0.772 2.457) 4.314 10.862 ( -3.692 -1.966 -2.237) 4.743 11.177 ( 1.898 1.858 3.034) 4.032 11.223 ( 3.910 -2.420 2.754) 5.360 11.606 ( -5.769 2.208 -0.771) 6.225 11.655 ( -4.017 -2.597 -2.695) 5.491 11.959 ( -8.450 4.270 2.128) 9.704 12.032 ( -7.393 -2.708 2.841) 8.370 12.150 ( -3.219 4.986 -3.581) 6.931 12.246 ( -1.087 -4.300 -6.379) 7.770 12.889 ( -8.905 4.522 -0.658) 10.009 12.925 ( -3.535 1.683 1.019) 4.046 13.046 ( -2.937 1.158 1.059) 3.330 13.074 ( -9.775 -2.208 -3.091) 10.487 13.290 ( 1.071 6.405 -0.009) 6.494 13.395 ( -1.350 -3.919 -0.000) 4.146 13.649 ( -3.598 2.999 2.952) 5.536 13.683 ( -2.565 -0.494 5.951) 6.500 14.372 ( -12.078 5.125 2.102) 13.288 14.416 ( -11.884 0.536 -5.845) 13.255 16.130 ( 37.863 5.634 -1.486) 38.308 16.230 ( 32.869 -2.836 -1.645) 33.032 16.306 ( 22.592 2.841 1.901) 22.849 16.343 ( 20.585 -0.646 3.070) 20.823 16.492 ( 16.363 5.360 -1.831) 17.315 16.564 ( 21.866 -1.505 0.532) 21.924 17.829 ( -5.018 5.411 -2.935) 7.942 17.854 ( -3.114 2.400 2.789) 4.821 18.050 ( -1.770 -1.140 -0.463) 2.155 18.069 ( -1.652 -3.238 0.174) 3.639 18.561 ( 1.105 -0.922 -0.718) 1.608 18.584 ( 2.275 -3.050 -0.084) 3.806 18.701 ( -0.800 -10.398 1.229) 10.501 18.731 ( 0.238 -12.723 -2.554) 12.979 19.320 ( -4.164 2.534 0.579) 4.909 19.386 ( -1.339 -3.937 0.519) 4.191 23.065 ( 20.703 4.589 1.147) 21.236 23.093 ( 21.803 2.162 1.098) 21.938 24.238 ( 2.244 -3.117 -0.087) 3.842 24.265 ( 3.334 -5.471 -0.739) 6.450 25.228 ( -4.808 7.852 -3.912) 10.004 25.249 ( -4.451 6.471 3.832) 8.739 25.426 ( -3.228 -5.867 2.084) 7.013 25.450 ( -2.684 -7.641 -1.879) 8.314 ======================= Grid point 161 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.388 ( 8.842 4.147 -3.258) 10.295 2.469 ( 7.205 -4.660 -1.966) 8.804 2.568 ( 6.224 6.445 -1.841) 9.147 2.665 ( 2.053 -3.639 1.085) 4.317 2.815 ( 7.652 11.574 3.057) 14.208 2.883 ( 1.922 6.048 0.515) 6.367 3.068 ( -6.231 0.392 2.021) 6.562 3.100 ( -7.626 -0.314 -0.316) 7.639 3.325 ( 4.371 -5.981 -4.922) 8.894 3.379 ( 0.737 -9.841 3.712) 10.543 3.487 ( 0.814 -1.954 -3.383) 3.991 3.537 ( 0.416 -6.442 -2.195) 6.818 3.911 ( 10.117 3.806 -5.849) 12.290 3.984 ( 10.352 4.322 0.776) 11.245 4.081 ( 22.521 -0.781 1.171) 22.565 4.215 ( -2.879 4.246 7.475) 9.066 4.226 ( 1.583 -2.130 7.842) 8.279 4.335 ( 25.405 -10.648 -0.327) 27.548 4.551 ( 10.053 1.008 3.152) 10.584 4.593 ( 19.459 -1.759 0.431) 19.543 4.721 ( 10.459 4.697 -2.492) 11.732 4.790 ( 15.301 -1.324 -1.088) 15.396 5.098 ( 19.233 11.095 3.089) 22.418 5.139 ( 12.042 8.995 -10.194) 18.161 5.243 ( 12.504 -3.407 3.495) 13.423 5.288 ( 8.797 -4.428 -6.355) 11.721 5.570 ( -6.224 1.274 4.493) 7.781 5.577 ( -3.836 -0.535 3.996) 5.565 5.869 ( -6.133 8.044 -1.663) 10.251 5.967 ( -2.214 2.793 0.130) 3.566 6.004 ( -7.321 -3.763 -0.443) 8.244 6.064 ( -4.096 -6.912 -0.969) 8.092 6.152 ( 3.761 0.400 2.485) 4.526 6.194 ( -0.940 -2.867 1.149) 3.228 6.354 ( -1.173 1.874 -1.683) 2.778 6.394 ( -1.719 -1.811 -1.057) 2.712 6.583 ( -1.951 -0.938 -2.155) 3.054 6.589 ( 0.387 -1.275 -0.000) 1.333 6.862 ( -3.778 1.493 -0.397) 4.082 6.873 ( -1.783 -0.164 -1.064) 2.083 7.054 ( 2.950 2.616 -0.798) 4.023 7.103 ( 0.832 -1.364 -0.180) 1.608 7.472 ( -12.820 2.068 -0.114) 12.986 7.543 ( -16.036 -4.166 -0.871) 16.591 7.764 ( 3.644 0.387 0.436) 3.690 7.813 ( 2.849 -3.338 1.306) 4.579 7.882 ( -0.799 4.621 1.298) 4.866 7.987 ( -3.389 -4.305 -1.904) 5.800 8.101 ( -1.052 3.492 0.851) 3.745 8.200 ( 3.819 -5.432 -2.116) 6.969 8.708 ( 16.937 0.942 -1.413) 17.022 8.753 ( 15.342 -2.847 0.168) 15.605 8.955 ( -10.841 -0.662 -2.621) 11.173 8.977 ( -10.715 -2.547 -3.802) 11.652 9.477 ( -2.656 1.491 3.563) 4.688 9.497 ( -2.201 -0.360 7.140) 7.480 9.773 ( 3.472 3.296 3.114) 5.711 9.863 ( -1.468 -5.063 1.707) 5.541 10.076 ( 11.716 4.818 1.575) 12.766 10.190 ( 11.954 -6.114 0.610) 13.441 10.340 ( -3.343 2.243 -3.961) 5.647 10.381 ( -3.241 -1.685 -3.627) 5.148 10.557 ( -6.865 3.929 -2.056) 8.172 10.666 ( -6.541 -6.535 -2.587) 9.601 10.884 ( 14.557 3.373 3.255) 15.293 10.975 ( 14.365 -5.122 1.268) 15.303 11.229 ( 1.713 2.709 2.499) 4.064 11.301 ( 2.113 -3.607 4.335) 6.022 11.473 ( -4.959 2.285 -0.537) 5.487 11.533 ( -5.954 -3.885 -3.219) 7.804 11.729 ( -11.937 2.786 -0.224) 12.260 11.784 ( -13.555 -2.714 1.467) 13.901 12.142 ( 2.469 5.873 -3.427) 7.234 12.238 ( 1.101 -3.654 -4.794) 6.127 12.616 ( -13.152 2.213 -1.355) 13.406 12.645 ( -16.198 -0.637 -1.602) 16.289 13.035 ( 2.980 4.327 3.721) 6.439 13.088 ( 2.994 -0.920 5.437) 6.274 13.264 ( -2.933 3.512 -3.765) 5.926 13.304 ( -5.755 -0.265 -3.844) 6.926 13.588 ( -1.541 3.331 2.929) 4.696 13.625 ( -2.409 -0.361 5.884) 6.368 14.161 ( -6.729 4.013 2.163) 8.128 14.197 ( -7.736 0.394 -5.681) 9.606 16.530 ( 10.102 4.642 -4.254) 11.903 16.551 ( 11.185 2.658 3.478) 12.011 16.894 ( 7.110 10.312 2.308) 12.737 16.916 ( 16.033 7.543 -2.156) 17.849 17.122 ( 27.702 -5.872 -6.850) 29.135 17.147 ( 29.945 -6.403 6.280) 31.259 17.861 ( -0.522 2.796 0.672) 2.923 17.919 ( 12.399 2.045 -0.162) 12.568 18.003 ( 1.844 1.389 0.064) 2.310 18.092 ( 13.570 -2.861 2.462) 14.085 18.579 ( -0.004 0.193 -1.086) 1.103 18.635 ( 2.213 -4.496 -0.475) 5.034 18.687 ( -0.629 -8.489 0.685) 8.540 18.728 ( -0.879 -11.160 -3.382) 11.694 19.203 ( -6.314 2.906 0.660) 6.981 19.314 ( -5.717 -7.364 1.174) 9.396 23.719 ( 37.376 6.417 -0.785) 37.931 23.764 ( 37.896 2.860 2.225) 38.069 24.374 ( 11.138 -4.193 -0.604) 11.917 24.419 ( 11.743 -7.692 -0.009) 14.038 25.028 ( -14.215 7.869 -3.497) 16.620 25.045 ( -14.884 6.232 3.561) 16.525 25.247 ( -14.947 -5.950 3.541) 16.473 25.268 ( -15.597 -7.826 -3.439) 17.786 ======================= Grid point 162 (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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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| 2.551 ( 0.977 -0.721 -1.511) 1.939 2.551 ( -0.977 -0.721 1.511) 1.939 2.644 ( 1.769 0.911 -2.577) 3.256 2.644 ( -1.769 0.911 2.577) 3.256 2.916 ( 0.523 6.082 -2.188) 6.485 2.916 ( -0.523 6.082 2.188) 6.485 2.971 ( -3.630 3.945 -2.724) 6.013 2.971 ( 3.630 3.945 2.724) 6.013 3.385 ( 1.001 -7.545 -3.893) 8.549 3.385 ( -1.001 -7.545 3.893) 8.549 3.513 ( -1.571 -5.870 -0.760) 6.124 3.513 ( 1.571 -5.870 0.760) 6.124 4.044 ( 3.693 1.155 -9.884) 10.615 4.044 ( -3.693 1.155 9.884) 10.615 4.128 ( 1.976 0.351 -1.875) 2.747 4.128 ( -1.976 0.351 1.875) 2.747 4.532 ( -8.418 4.621 -11.305) 14.833 4.532 ( 8.418 4.621 11.305) 14.833 4.655 ( -5.037 -5.542 -10.238) 12.685 4.655 ( 5.037 -5.542 10.238) 12.685 5.142 ( -1.695 3.018 -2.456) 4.245 5.142 ( 1.695 3.018 2.456) 4.245 5.282 ( 4.130 0.231 -4.589) 6.178 5.282 ( -4.130 0.231 4.589) 6.178 5.378 ( -5.925 3.577 -2.173) 7.254 5.378 ( 5.925 3.577 2.173) 7.254 5.510 ( -5.225 3.883 -0.844) 6.565 5.510 ( 5.225 3.883 0.844) 6.565 5.816 ( 1.433 -2.976 -2.236) 3.988 5.816 ( -1.433 -2.976 2.236) 3.988 5.964 ( -1.515 -1.426 -0.869) 2.255 5.964 ( 1.515 -1.426 0.869) 2.255 6.256 ( -1.037 -0.097 -0.784) 1.304 6.256 ( 1.037 -0.097 0.784) 1.304 6.372 ( -1.759 0.173 -0.174) 1.776 6.372 ( 1.759 0.173 0.174) 1.776 6.571 ( 0.377 -0.910 -1.372) 1.689 6.571 ( -0.377 -0.910 1.372) 1.689 6.804 ( -0.975 0.061 -1.408) 1.714 6.804 ( 0.975 0.061 1.408) 1.714 7.159 ( 3.675 -1.951 -2.269) 4.739 7.159 ( -3.675 -1.951 2.269) 4.739 7.262 ( -1.631 -0.214 -2.968) 3.393 7.262 ( 1.631 -0.214 2.968) 3.393 7.792 ( -2.326 4.064 -2.591) 5.352 7.792 ( 2.326 4.064 2.591) 5.352 7.869 ( -2.596 -3.291 -4.047) 5.827 7.869 ( 2.596 -3.291 4.047) 5.827 8.281 ( -1.738 0.090 -2.022) 2.668 8.281 ( 1.738 0.090 2.022) 2.668 8.707 ( -1.231 -1.708 -1.340) 2.496 8.707 ( 1.231 -1.708 1.340) 2.496 9.148 ( -10.829 2.073 1.501) 11.127 9.148 ( 10.829 2.073 -1.501) 11.127 9.264 ( -8.882 -2.484 0.100) 9.224 9.264 ( 8.882 -2.484 -0.100) 9.224 9.856 ( -1.347 -1.048 -1.975) 2.610 9.856 ( 1.347 -1.048 1.975) 2.610 10.284 ( -1.575 3.865 -1.583) 4.463 10.284 ( 1.575 3.865 1.583) 4.463 10.342 ( -2.242 -0.127 -0.666) 2.343 10.342 ( 2.242 -0.127 0.666) 2.343 10.495 ( -6.323 -5.276 -0.492) 8.250 10.495 ( 6.323 -5.276 0.492) 8.250 11.169 ( -7.397 3.931 -2.856) 8.851 11.169 ( 7.397 3.931 2.856) 8.851 11.277 ( -5.115 -5.459 -3.164) 8.123 11.277 ( 5.115 -5.459 3.164) 8.123 11.446 ( -1.683 -1.156 -2.278) 3.060 11.446 ( 1.683 -1.156 2.278) 3.060 11.553 ( 1.091 -0.483 -0.998) 1.556 11.553 ( -1.091 -0.483 0.998) 1.556 12.252 ( -2.673 3.005 -3.025) 5.033 12.252 ( 2.673 3.005 3.025) 5.033 12.413 ( -0.117 -0.901 -3.076) 3.207 12.413 ( 0.117 -0.901 3.076) 3.207 13.116 ( -1.606 2.553 -0.626) 3.081 13.116 ( 1.606 2.553 0.626) 3.081 13.212 ( -1.045 0.799 -1.218) 1.793 13.212 ( 1.045 0.799 1.218) 1.793 13.586 ( 0.520 2.033 -1.927) 2.849 13.586 ( -0.520 2.033 1.927) 2.849 14.098 ( -0.983 1.733 -4.252) 4.696 14.098 ( 0.983 1.733 4.252) 4.696 16.721 ( 1.431 6.352 -5.071) 8.253 16.721 ( -1.431 6.352 5.071) 8.253 16.890 ( -3.493 3.988 -6.577) 8.448 16.890 ( 3.493 3.988 6.577) 8.448 17.538 ( -2.165 -2.776 -2.088) 4.093 17.538 ( 2.165 -2.776 2.088) 4.093 17.795 ( -4.960 -3.164 -1.199) 6.005 17.795 ( 4.960 -3.165 1.199) 6.005 18.394 ( -1.859 5.104 -5.350) 7.624 18.394 ( 1.859 5.104 5.350) 7.624 18.599 ( -5.015 -0.220 -4.755) 6.914 18.599 ( 5.015 -0.220 4.755) 6.914 18.674 ( 0.016 -6.333 -1.810) 6.586 18.674 ( -0.016 -6.333 1.810) 6.586 19.160 ( -0.564 -7.784 -5.044) 9.292 19.160 ( 0.564 -7.784 5.044) 9.292 24.462 ( -2.588 9.231 -0.306) 9.592 24.462 ( 2.588 9.231 0.306) 9.592 24.589 ( -8.315 3.966 -3.188) 9.748 24.589 ( 8.315 3.966 3.188) 9.748 24.753 ( -2.766 -4.442 -0.687) 5.278 24.753 ( 2.766 -4.442 0.687) 5.278 24.868 ( -5.139 -10.224 -4.882) 12.441 24.868 ( 5.139 -10.224 4.882) 12.441 =================== 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 3/23328 10.0 1627.654 1434.330 1107.516 0.000 -661.866 0.000 3/23328 20.0 210.035 163.711 151.044 0.000 -43.561 0.000 3/23328 30.0 83.332 55.168 52.977 0.000 -12.480 0.000 3/23328 40.0 46.734 28.294 27.715 0.000 -5.986 0.000 3/23328 50.0 31.171 17.868 17.820 0.000 -3.642 0.000 3/23328 60.0 22.976 12.699 12.866 0.000 -2.527 0.000 3/23328 70.0 18.022 9.715 9.972 0.000 -1.901 0.000 3/23328 80.0 14.742 7.809 8.098 0.000 -1.508 0.000 3/23328 90.0 12.429 6.504 6.796 0.000 -1.242 0.000 3/23328 100.0 10.723 5.561 5.844 0.000 -1.053 0.000 3/23328 110.0 9.420 4.853 5.121 0.000 -0.911 0.000 3/23328 120.0 8.397 4.304 4.555 0.000 -0.801 0.000 3/23328 130.0 7.575 3.868 4.101 0.000 -0.715 0.000 3/23328 140.0 6.902 3.513 3.730 0.000 -0.645 0.000 3/23328 150.0 6.342 3.220 3.422 0.000 -0.587 0.000 3/23328 160.0 5.869 2.974 3.161 0.000 -0.539 0.000 3/23328 170.0 5.464 2.764 2.938 0.000 -0.498 0.000 3/23328 180.0 5.115 2.584 2.746 0.000 -0.462 0.000 3/23328 190.0 4.810 2.427 2.578 0.000 -0.432 0.000 3/23328 200.0 4.541 2.289 2.430 0.000 -0.405 0.000 3/23328 210.0 4.303 2.167 2.299 0.000 -0.381 0.000 3/23328 220.0 4.090 2.058 2.182 0.000 -0.360 0.000 3/23328 230.0 3.898 1.961 2.077 0.000 -0.342 0.000 3/23328 240.0 3.725 1.872 1.982 0.000 -0.325 0.000 3/23328 250.0 3.567 1.792 1.896 0.000 -0.310 0.000 3/23328 260.0 3.423 1.719 1.817 0.000 -0.296 0.000 3/23328 270.0 3.291 1.652 1.745 0.000 -0.283 0.000 3/23328 280.0 3.169 1.590 1.679 0.000 -0.271 0.000 3/23328 290.0 3.057 1.533 1.617 0.000 -0.261 0.000 3/23328 300.0 2.952 1.481 1.561 0.000 -0.251 0.000 3/23328 310.0 2.855 1.431 1.508 0.000 -0.242 0.000 3/23328 320.0 2.764 1.386 1.459 0.000 -0.233 0.000 3/23328 330.0 2.679 1.343 1.413 0.000 -0.225 0.000 3/23328 340.0 2.600 1.303 1.370 0.000 -0.218 0.000 3/23328 350.0 2.525 1.265 1.329 0.000 -0.211 0.000 3/23328 360.0 2.454 1.229 1.291 0.000 -0.205 0.000 3/23328 370.0 2.388 1.196 1.255 0.000 -0.199 0.000 3/23328 380.0 2.325 1.164 1.221 0.000 -0.193 0.000 3/23328 390.0 2.265 1.134 1.189 0.000 -0.188 0.000 3/23328 400.0 2.209 1.106 1.159 0.000 -0.183 0.000 3/23328 410.0 2.155 1.079 1.130 0.000 -0.178 0.000 3/23328 420.0 2.104 1.053 1.103 0.000 -0.173 0.000 3/23328 430.0 2.055 1.029 1.077 0.000 -0.169 0.000 3/23328 440.0 2.009 1.005 1.052 0.000 -0.165 0.000 3/23328 450.0 1.964 0.983 1.028 0.000 -0.161 0.000 3/23328 460.0 1.922 0.962 1.006 0.000 -0.157 0.000 3/23328 470.0 1.881 0.941 0.984 0.000 -0.154 0.000 3/23328 480.0 1.842 0.922 0.963 0.000 -0.150 0.000 3/23328 490.0 1.805 0.903 0.943 0.000 -0.147 0.000 3/23328 500.0 1.769 0.885 0.924 0.000 -0.144 0.000 3/23328 510.0 1.735 0.868 0.906 0.000 -0.141 0.000 3/23328 520.0 1.702 0.851 0.889 0.000 -0.138 0.000 3/23328 530.0 1.670 0.836 0.872 0.000 -0.135 0.000 3/23328 540.0 1.639 0.820 0.856 0.000 -0.133 0.000 3/23328 550.0 1.610 0.805 0.840 0.000 -0.130 0.000 3/23328 560.0 1.581 0.791 0.825 0.000 -0.128 0.000 3/23328 570.0 1.554 0.777 0.810 0.000 -0.125 0.000 3/23328 580.0 1.527 0.764 0.796 0.000 -0.123 0.000 3/23328 590.0 1.502 0.751 0.783 0.000 -0.121 0.000 3/23328 600.0 1.477 0.739 0.770 0.000 -0.119 0.000 3/23328 610.0 1.453 0.727 0.757 0.000 -0.117 0.000 3/23328 620.0 1.430 0.715 0.745 0.000 -0.115 0.000 3/23328 630.0 1.407 0.704 0.733 0.000 -0.113 0.000 3/23328 640.0 1.385 0.693 0.721 0.000 -0.111 0.000 3/23328 650.0 1.364 0.682 0.710 0.000 -0.109 0.000 3/23328 660.0 1.344 0.672 0.699 0.000 -0.108 0.000 3/23328 670.0 1.324 0.662 0.689 0.000 -0.106 0.000 3/23328 680.0 1.305 0.652 0.679 0.000 -0.104 0.000 3/23328 690.0 1.286 0.643 0.669 0.000 -0.103 0.000 3/23328 700.0 1.268 0.634 0.659 0.000 -0.101 0.000 3/23328 710.0 1.250 0.625 0.650 0.000 -0.100 0.000 3/23328 720.0 1.233 0.617 0.641 0.000 -0.098 0.000 3/23328 730.0 1.216 0.608 0.632 0.000 -0.097 0.000 3/23328 740.0 1.200 0.600 0.624 0.000 -0.096 0.000 3/23328 750.0 1.184 0.592 0.615 0.000 -0.094 0.000 3/23328 760.0 1.168 0.584 0.607 0.000 -0.093 0.000 3/23328 770.0 1.153 0.577 0.599 0.000 -0.092 0.000 3/23328 780.0 1.139 0.569 0.592 0.000 -0.091 0.000 3/23328 790.0 1.124 0.562 0.584 0.000 -0.090 0.000 3/23328 800.0 1.110 0.555 0.577 0.000 -0.088 0.000 3/23328 810.0 1.097 0.548 0.570 0.000 -0.087 0.000 3/23328 820.0 1.084 0.542 0.563 0.000 -0.086 0.000 3/23328 830.0 1.071 0.535 0.556 0.000 -0.085 0.000 3/23328 840.0 1.058 0.529 0.550 0.000 -0.084 0.000 3/23328 850.0 1.046 0.523 0.543 0.000 -0.083 0.000 3/23328 860.0 1.033 0.517 0.537 0.000 -0.082 0.000 3/23328 870.0 1.022 0.511 0.531 0.000 -0.081 0.000 3/23328 880.0 1.010 0.505 0.525 0.000 -0.080 0.000 3/23328 890.0 0.999 0.500 0.519 0.000 -0.079 0.000 3/23328 900.0 0.988 0.494 0.513 0.000 -0.078 0.000 3/23328 910.0 0.977 0.489 0.507 0.000 -0.077 0.000 3/23328 920.0 0.967 0.483 0.502 0.000 -0.077 0.000 3/23328 930.0 0.956 0.478 0.496 0.000 -0.076 0.000 3/23328 940.0 0.946 0.473 0.491 0.000 -0.075 0.000 3/23328 950.0 0.936 0.468 0.486 0.000 -0.074 0.000 3/23328 960.0 0.926 0.463 0.481 0.000 -0.073 0.000 3/23328 970.0 0.917 0.459 0.476 0.000 -0.073 0.000 3/23328 980.0 0.908 0.454 0.471 0.000 -0.072 0.000 3/23328 990.0 0.899 0.449 0.466 0.000 -0.071 0.000 3/23328 1000.0 0.890 0.445 0.462 0.000 -0.070 0.000 3/23328 Thermal conductivity related properties were written into "kappa-m694.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:39:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|