----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:09:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.818345194097201 3.936573433239802 2.137404443333331 b -6.818345194097188 3.936573433239802 2.137404443333331 c 0.000000000000006 -7.873146866479616 2.137404443333331 Atomic positions (fractional): *1 O 0.69203312157554 0.53241531049758 0.12877423282471 15.999 2 O 0.12877423282471 0.69203312157554 0.53241531049758 15.999 3 O 0.53241531049758 0.12877423282471 0.69203312157553 15.999 4 O 0.30796687842447 0.46758468950243 0.87122576717529 15.999 5 O 0.87122576717529 0.30796687842447 0.46758468950242 15.999 6 O 0.46758468950242 0.87122576717529 0.30796687842446 15.999 *7 Cl 0.87193008423364 0.91889524486681 0.62142045523835 35.453 8 Cl 0.91889524486680 0.62142045523835 0.87193008423364 35.453 9 Cl 0.62142045523835 0.87193008423364 0.91889524486680 35.453 10 Cl 0.12806991576636 0.08110475513320 0.37857954476165 35.453 11 Cl 0.08110475513320 0.37857954476165 0.12806991576636 35.453 12 Cl 0.37857954476165 0.12806991576636 0.08110475513320 35.453 *13 Au 0.76657012378363 0.41502729793013 0.29547580446215 196.967 14 Au 0.29547580446215 0.76657012378363 0.41502729793013 196.967 15 Au 0.41502729793013 0.29547580446215 0.76657012378363 196.967 16 Au 0.23342987621637 0.58497270206988 0.70452419553785 196.967 17 Au 0.70452419553785 0.23342987621637 0.58497270206987 196.967 18 Au 0.58497270206987 0.70452419553785 0.23342987621637 196.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.636690388194390 0.000000000000000 0.000000000000000 b -6.818345194097195 11.809720299719420 0.000000000000000 c 0.000000000000000 0.000000000000000 6.412213329999998 Atomic positions (fractional): *1 O 0.24095889994293 0.32229998880790 0.45107422163261 15.999 > 1 2 O 0.34436667785877 0.25199224446836 0.78440755496594 15.999 > 2 3 O 0.41467442219830 0.42570776672374 0.11774088829927 15.999 > 3 4 O 0.42570776672374 0.01103334452544 0.88225911170073 15.999 > 4 5 O 0.32229998880790 0.08134108886497 0.54892577836739 15.999 > 5 6 O 0.25199224446836 0.90762556660959 0.21559244503406 15.999 > 6 7 O 0.90762556660959 0.65563332214123 0.78440755496594 15.999 > 1 8 O 0.01103334452544 0.58532557780170 0.11774088829927 15.999 > 2 9 O 0.08134108886497 0.75904110005707 0.45107422163261 15.999 > 3 10 O 0.09237443339041 0.34436667785877 0.21559244503406 15.999 > 4 11 O 0.98896665547456 0.41467442219830 0.88225911170073 15.999 > 5 12 O 0.91865891113503 0.24095889994293 0.54892577836739 15.999 > 6 13 O 0.57429223327626 0.98896665547456 0.11774088829927 15.999 > 1 14 O 0.67770001119210 0.91865891113503 0.45107422163261 15.999 > 2 15 O 0.74800775553163 0.09237443339041 0.78440755496594 15.999 > 3 16 O 0.75904110005707 0.67770001119210 0.54892577836739 15.999 > 4 17 O 0.65563332214123 0.74800775553163 0.21559244503406 15.999 > 5 18 O 0.58532557780170 0.57429223327626 0.88225911170073 15.999 > 6 *19 Cl 0.40118148945404 0.84932813954125 0.47074859477960 35.453 > 7 20 Cl 0.11481331675387 0.93215184387929 0.80408192811293 35.453 > 8 21 Cl 0.48400519379209 0.21852001657946 0.13741526144626 35.453 > 9 22 Cl 0.26548517721263 0.48400519379209 0.86258473855374 35.453 > 10 23 Cl 0.55185334991279 0.40118148945404 0.52925140522040 35.453 > 11 24 Cl 0.18266147287458 0.11481331675387 0.19591807188707 35.453 > 12 25 Cl 0.06784815612071 0.18266147287458 0.80408192811293 35.453 > 7 26 Cl 0.78147998342054 0.26548517721263 0.13741526144626 35.453 > 8 27 Cl 0.15067186045875 0.55185334991279 0.47074859477960 35.453 > 9 28 Cl 0.93215184387929 0.81733852712542 0.19591807188707 35.453 > 10 29 Cl 0.21852001657946 0.73451482278737 0.86258473855374 35.453 > 11 30 Cl 0.84932813954125 0.44814665008721 0.52925140522040 35.453 > 12 31 Cl 0.73451482278737 0.51599480620791 0.13741526144626 35.453 > 7 32 Cl 0.44814665008721 0.59881851054596 0.47074859477960 35.453 > 8 33 Cl 0.81733852712542 0.88518668324613 0.80408192811293 35.453 > 9 34 Cl 0.59881851054596 0.15067186045875 0.52925140522040 35.453 > 10 35 Cl 0.88518668324613 0.06784815612071 0.19591807188707 35.453 > 11 36 Cl 0.51599480620791 0.78147998342054 0.86258473855374 35.453 > 12 *37 Au 0.27421238172500 0.19688193759649 0.49235774205863 196.967 > 13 38 Au 0.46978472907018 0.41066377746184 0.82569107539197 196.967 > 14 39 Au 0.25600288920483 0.39245428494167 0.15902440872530 196.967 > 15 40 Au 0.39245428494167 0.13645139573685 0.84097559127470 196.967 > 16 41 Au 0.19688193759649 0.92266955587149 0.50764225794136 196.967 > 17 42 Au 0.41066377746184 0.94087904839166 0.17430892460803 196.967 > 18 43 Au 0.94087904839166 0.53021527092982 0.82569107539197 196.967 > 13 44 Au 0.13645139573685 0.74399711079518 0.15902440872530 196.967 > 14 45 Au 0.92266955587149 0.72578761827500 0.49235774205863 196.967 > 15 46 Au 0.05912095160834 0.46978472907018 0.17430892460803 196.967 > 16 47 Au 0.86354860426315 0.25600288920483 0.84097559127470 196.967 > 17 48 Au 0.07733044412851 0.27421238172500 0.50764225794136 196.967 > 18 49 Au 0.60754571505833 0.86354860426315 0.15902440872530 196.967 > 13 50 Au 0.80311806240351 0.07733044412851 0.49235774205863 196.967 > 14 51 Au 0.58933622253816 0.05912095160834 0.82569107539197 196.967 > 15 52 Au 0.72578761827500 0.80311806240351 0.50764225794136 196.967 > 16 53 Au 0.53021527092982 0.58933622253816 0.17430892460803 196.967 > 17 54 Au 0.74399711079518 0.60754571505833 0.84097559127470 196.967 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.636690388194390 0.000000000000000 0.000000000000000 b -6.818345194097195 11.809720299719420 0.000000000000000 c 0.000000000000000 0.000000000000000 12.824426659999997 Atomic positions (fractional): *1 O 0.24095889994293 0.32229998880790 0.22553711081630 15.999 > 1 2 O 0.24095889994293 0.32229998880790 0.72553711081630 15.999 > 1 3 O 0.34436667785877 0.25199224446836 0.39220377748297 15.999 > 2 4 O 0.34436667785877 0.25199224446836 0.89220377748297 15.999 > 2 5 O 0.41467442219830 0.42570776672374 0.05887044414964 15.999 > 3 6 O 0.41467442219830 0.42570776672374 0.55887044414964 15.999 > 3 7 O 0.42570776672374 0.01103334452544 0.44112955585036 15.999 > 4 8 O 0.42570776672374 0.01103334452544 0.94112955585036 15.999 > 4 9 O 0.32229998880790 0.08134108886497 0.27446288918370 15.999 > 5 10 O 0.32229998880790 0.08134108886497 0.77446288918370 15.999 > 5 11 O 0.25199224446836 0.90762556660959 0.10779622251703 15.999 > 6 12 O 0.25199224446836 0.90762556660959 0.60779622251703 15.999 > 6 13 O 0.90762556660959 0.65563332214123 0.39220377748297 15.999 > 1 14 O 0.90762556660959 0.65563332214123 0.89220377748297 15.999 > 1 15 O 0.01103334452544 0.58532557780170 0.05887044414964 15.999 > 2 16 O 0.01103334452544 0.58532557780170 0.55887044414964 15.999 > 2 17 O 0.08134108886497 0.75904110005707 0.22553711081630 15.999 > 3 18 O 0.08134108886497 0.75904110005707 0.72553711081630 15.999 > 3 19 O 0.09237443339041 0.34436667785877 0.10779622251703 15.999 > 4 20 O 0.09237443339041 0.34436667785877 0.60779622251703 15.999 > 4 21 O 0.98896665547456 0.41467442219830 0.44112955585036 15.999 > 5 22 O 0.98896665547456 0.41467442219830 0.94112955585036 15.999 > 5 23 O 0.91865891113503 0.24095889994293 0.27446288918370 15.999 > 6 24 O 0.91865891113503 0.24095889994293 0.77446288918370 15.999 > 6 25 O 0.57429223327626 0.98896665547456 0.05887044414964 15.999 > 1 26 O 0.57429223327626 0.98896665547456 0.55887044414964 15.999 > 1 27 O 0.67770001119210 0.91865891113503 0.22553711081630 15.999 > 2 28 O 0.67770001119210 0.91865891113503 0.72553711081630 15.999 > 2 29 O 0.74800775553163 0.09237443339041 0.39220377748297 15.999 > 3 30 O 0.74800775553163 0.09237443339041 0.89220377748297 15.999 > 3 31 O 0.75904110005707 0.67770001119210 0.27446288918370 15.999 > 4 32 O 0.75904110005707 0.67770001119210 0.77446288918370 15.999 > 4 33 O 0.65563332214123 0.74800775553163 0.10779622251703 15.999 > 5 34 O 0.65563332214123 0.74800775553163 0.60779622251703 15.999 > 5 35 O 0.58532557780170 0.57429223327626 0.44112955585036 15.999 > 6 36 O 0.58532557780170 0.57429223327626 0.94112955585036 15.999 > 6 *37 Cl 0.40118148945404 0.84932813954125 0.23537429738980 35.453 > 7 38 Cl 0.40118148945404 0.84932813954125 0.73537429738980 35.453 > 7 39 Cl 0.11481331675387 0.93215184387929 0.40204096405647 35.453 > 8 40 Cl 0.11481331675387 0.93215184387929 0.90204096405647 35.453 > 8 41 Cl 0.48400519379209 0.21852001657946 0.06870763072313 35.453 > 9 42 Cl 0.48400519379209 0.21852001657946 0.56870763072313 35.453 > 9 43 Cl 0.26548517721263 0.48400519379209 0.43129236927687 35.453 > 10 44 Cl 0.26548517721263 0.48400519379209 0.93129236927687 35.453 > 10 45 Cl 0.55185334991279 0.40118148945404 0.26462570261020 35.453 > 11 46 Cl 0.55185334991279 0.40118148945404 0.76462570261020 35.453 > 11 47 Cl 0.18266147287458 0.11481331675387 0.09795903594353 35.453 > 12 48 Cl 0.18266147287458 0.11481331675387 0.59795903594353 35.453 > 12 49 Cl 0.06784815612071 0.18266147287458 0.40204096405647 35.453 > 7 50 Cl 0.06784815612071 0.18266147287458 0.90204096405647 35.453 > 7 51 Cl 0.78147998342054 0.26548517721263 0.06870763072313 35.453 > 8 52 Cl 0.78147998342054 0.26548517721263 0.56870763072313 35.453 > 8 53 Cl 0.15067186045875 0.55185334991279 0.23537429738980 35.453 > 9 54 Cl 0.15067186045875 0.55185334991279 0.73537429738980 35.453 > 9 55 Cl 0.93215184387929 0.81733852712542 0.09795903594353 35.453 > 10 56 Cl 0.93215184387929 0.81733852712542 0.59795903594353 35.453 > 10 57 Cl 0.21852001657946 0.73451482278737 0.43129236927687 35.453 > 11 58 Cl 0.21852001657946 0.73451482278737 0.93129236927687 35.453 > 11 59 Cl 0.84932813954125 0.44814665008721 0.26462570261020 35.453 > 12 60 Cl 0.84932813954125 0.44814665008721 0.76462570261020 35.453 > 12 61 Cl 0.73451482278737 0.51599480620791 0.06870763072313 35.453 > 7 62 Cl 0.73451482278737 0.51599480620791 0.56870763072313 35.453 > 7 63 Cl 0.44814665008721 0.59881851054596 0.23537429738980 35.453 > 8 64 Cl 0.44814665008721 0.59881851054596 0.73537429738980 35.453 > 8 65 Cl 0.81733852712542 0.88518668324613 0.40204096405647 35.453 > 9 66 Cl 0.81733852712542 0.88518668324613 0.90204096405647 35.453 > 9 67 Cl 0.59881851054596 0.15067186045875 0.26462570261020 35.453 > 10 68 Cl 0.59881851054596 0.15067186045875 0.76462570261020 35.453 > 10 69 Cl 0.88518668324613 0.06784815612071 0.09795903594353 35.453 > 11 70 Cl 0.88518668324613 0.06784815612071 0.59795903594353 35.453 > 11 71 Cl 0.51599480620791 0.78147998342054 0.43129236927687 35.453 > 12 72 Cl 0.51599480620791 0.78147998342054 0.93129236927687 35.453 > 12 *73 Au 0.27421238172500 0.19688193759649 0.24617887102932 196.967 > 13 74 Au 0.27421238172500 0.19688193759649 0.74617887102932 196.967 > 13 75 Au 0.46978472907018 0.41066377746184 0.41284553769598 196.967 > 14 76 Au 0.46978472907018 0.41066377746184 0.91284553769598 196.967 > 14 77 Au 0.25600288920483 0.39245428494167 0.07951220436265 196.967 > 15 78 Au 0.25600288920483 0.39245428494167 0.57951220436265 196.967 > 15 79 Au 0.39245428494167 0.13645139573685 0.42048779563735 196.967 > 16 80 Au 0.39245428494167 0.13645139573685 0.92048779563735 196.967 > 16 81 Au 0.19688193759649 0.92266955587149 0.25382112897068 196.967 > 17 82 Au 0.19688193759649 0.92266955587149 0.75382112897068 196.967 > 17 83 Au 0.41066377746184 0.94087904839166 0.08715446230402 196.967 > 18 84 Au 0.41066377746184 0.94087904839166 0.58715446230402 196.967 > 18 85 Au 0.94087904839166 0.53021527092982 0.41284553769598 196.967 > 13 86 Au 0.94087904839166 0.53021527092982 0.91284553769598 196.967 > 13 87 Au 0.13645139573685 0.74399711079518 0.07951220436265 196.967 > 14 88 Au 0.13645139573685 0.74399711079518 0.57951220436265 196.967 > 14 89 Au 0.92266955587149 0.72578761827500 0.24617887102932 196.967 > 15 90 Au 0.92266955587149 0.72578761827500 0.74617887102932 196.967 > 15 91 Au 0.05912095160834 0.46978472907018 0.08715446230402 196.967 > 16 92 Au 0.05912095160834 0.46978472907018 0.58715446230402 196.967 > 16 93 Au 0.86354860426315 0.25600288920483 0.42048779563735 196.967 > 17 94 Au 0.86354860426315 0.25600288920483 0.92048779563735 196.967 > 17 95 Au 0.07733044412851 0.27421238172500 0.25382112897068 196.967 > 18 96 Au 0.07733044412851 0.27421238172500 0.75382112897068 196.967 > 18 97 Au 0.60754571505833 0.86354860426315 0.07951220436265 196.967 > 13 98 Au 0.60754571505833 0.86354860426315 0.57951220436265 196.967 > 13 99 Au 0.80311806240351 0.07733044412851 0.24617887102932 196.967 > 14 100 Au 0.80311806240351 0.07733044412851 0.74617887102932 196.967 > 14 101 Au 0.58933622253816 0.05912095160834 0.41284553769598 196.967 > 15 102 Au 0.58933622253816 0.05912095160834 0.91284553769598 196.967 > 15 103 Au 0.72578761827500 0.80311806240351 0.25382112897068 196.967 > 16 104 Au 0.72578761827500 0.80311806240351 0.75382112897068 196.967 > 16 105 Au 0.53021527092982 0.58933622253816 0.08715446230402 196.967 > 17 106 Au 0.53021527092982 0.58933622253816 0.58715446230402 196.967 > 17 107 Au 0.74399711079518 0.60754571505833 0.42048779563735 196.967 > 18 108 Au 0.74399711079518 0.60754571505833 0.92048779563735 196.967 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0786355 0.0000006 0.0000000 -0.0000006 6.0786355 0.0000000 0.0000000 0.0000000 7.4404239 -------------------------- Born effective charges -------------------------- 1 O -1.6220612 0.1654149 0.3617672 0.1523710 -0.8437295 0.6910444 0.1722488 1.0269357 -0.9908101 2 O -0.9007071 0.2641030 -0.7793456 0.2510591 -1.5650836 -0.0322226 -0.9754769 -0.3642960 -0.9908101 3 O -1.1759177 -0.4099520 0.4175784 -0.4229959 -1.2898730 -0.6588218 0.8032280 -0.6626397 -0.9908101 4 O -1.6220612 0.1654149 0.3617672 0.1523710 -0.8437295 0.6910444 0.1722488 1.0269357 -0.9908101 5 O -0.9007071 0.2641030 -0.7793456 0.2510591 -1.5650836 -0.0322226 -0.9754769 -0.3642960 -0.9908101 6 O -1.1759177 -0.4099520 0.4175784 -0.4229959 -1.2898730 -0.6588218 0.8032280 -0.6626397 -0.9908101 7 Cl -0.3456522 0.0114094 0.0580746 0.0554879 -0.5551598 0.4763650 -0.0647820 0.4265917 -1.1146463 8 Cl -0.5317503 0.0519559 0.3835069 0.0960344 -0.3690617 -0.2884765 0.4018303 -0.1571930 -1.1146463 9 Cl -0.4738155 -0.1294830 -0.4415815 -0.0854045 -0.4269965 -0.1878885 -0.3370483 -0.2693988 -1.1146463 10 Cl -0.3456522 0.0114094 0.0580746 0.0554879 -0.5551598 0.4763650 -0.0647820 0.4265917 -1.1146463 11 Cl -0.5317503 0.0519559 0.3835069 0.0960344 -0.3690617 -0.2884765 0.4018303 -0.1571930 -1.1146463 12 Cl -0.4738155 -0.1294830 -0.4415815 -0.0854045 -0.4269965 -0.1878885 -0.3370483 -0.2693988 -1.1146463 13 Au 2.0056026 -0.7765720 1.1835683 -0.8076066 1.3610000 0.2070686 1.3095893 0.0755040 2.1054564 14 Au 0.8361811 0.1324408 -0.7711108 0.1014062 2.5304215 0.9214660 -0.7201830 1.0963856 2.1054564 15 Au 2.2081201 0.6906831 -0.4124575 0.6596485 1.1584825 -1.1285345 -0.5894062 -1.1718896 2.1054564 16 Au 2.0056026 -0.7765720 1.1835683 -0.8076066 1.3610000 0.2070686 1.3095893 0.0755040 2.1054564 17 Au 0.8361811 0.1324408 -0.7711108 0.1014062 2.5304215 0.9214660 -0.7201830 1.0963856 2.1054564 18 Au 2.2081201 0.6906831 -0.4124575 0.6596485 1.1584825 -1.1285345 -0.5894062 -1.1718896 2.1054564 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 10746/10746 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1494 Number of blocks in projector: 672 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 672 / 672 (1) 165 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 648 Use submatrix version of eigh solver. (1) Block: 500 / 648 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 648 / 648 (1) 136 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1494, 1468), data: False |-- (174, 171), data: True |-- (648, 636), data: False |-- (648, 12), data: (648, 24) @ (24, 12) |-- (148, 136), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (672, 661), data: False |-- (672, 7), data: (672, 18) @ (18, 7) |-- (172, 165), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 239), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 100 / 400 - Time: 2.037 Solver_block: 200 / 400 - Time: 2.046 Solver_block: 300 / 400 - Time: 2.037 Solver_block: 400 / 400 - Time: 2.036 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.203 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 324/324 Permutation basis: 10746/10746 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1494 Number of blocks in projector: 672 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 672 Use submatrix version of eigh solver. (1) Block: 500 / 672 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 672 / 672 (1) 165 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 648 Use submatrix version of eigh solver. (1) Block: 500 / 648 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 648 / 648 (1) 136 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1494, 1468), data: False |-- (174, 171), data: True |-- (648, 636), data: False |-- (648, 12), data: (648, 24) @ (24, 12) |-- (148, 136), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (672, 661), data: False |-- (672, 7), data: (672, 18) @ (18, 7) |-- (172, 165), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 239), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:09:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:09:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.818345194097201 3.936573433239802 2.137404443333331 b -6.818345194097188 3.936573433239802 2.137404443333331 c 0.000000000000006 -7.873146866479616 2.137404443333331 Atomic positions (fractional): 1 O 0.69203312157554 0.53241531049758 0.12877423282471 15.999 2 O 0.12877423282471 0.69203312157554 0.53241531049758 15.999 3 O 0.53241531049758 0.12877423282471 0.69203312157553 15.999 4 O 0.30796687842447 0.46758468950243 0.87122576717529 15.999 5 O 0.87122576717529 0.30796687842447 0.46758468950242 15.999 6 O 0.46758468950242 0.87122576717529 0.30796687842446 15.999 7 Cl 0.87193008423364 0.91889524486681 0.62142045523835 35.453 8 Cl 0.91889524486680 0.62142045523835 0.87193008423364 35.453 9 Cl 0.62142045523835 0.87193008423364 0.91889524486680 35.453 10 Cl 0.12806991576636 0.08110475513320 0.37857954476165 35.453 11 Cl 0.08110475513320 0.37857954476165 0.12806991576636 35.453 12 Cl 0.37857954476165 0.12806991576636 0.08110475513320 35.453 13 Au 0.76657012378363 0.41502729793013 0.29547580446215 196.967 14 Au 0.29547580446215 0.76657012378363 0.41502729793013 196.967 15 Au 0.41502729793013 0.29547580446215 0.76657012378363 196.967 16 Au 0.23342987621637 0.58497270206988 0.70452419553785 196.967 17 Au 0.70452419553785 0.23342987621637 0.58497270206987 196.967 18 Au 0.58497270206987 0.70452419553785 0.23342987621637 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.636690388194390 0.000000000000000 0.000000000000000 b -6.818345194097195 11.809720299719420 0.000000000000000 c 0.000000000000000 0.000000000000000 12.824426659999997 Atomic positions (fractional): 1 O 0.24095889994293 0.32229998880790 0.22553711081630 15.999 > 1 2 O 0.24095889994293 0.32229998880790 0.72553711081630 15.999 > 1 3 O 0.34436667785877 0.25199224446836 0.39220377748297 15.999 > 3 4 O 0.34436667785877 0.25199224446836 0.89220377748297 15.999 > 3 5 O 0.41467442219830 0.42570776672374 0.05887044414964 15.999 > 5 6 O 0.41467442219830 0.42570776672374 0.55887044414964 15.999 > 5 7 O 0.42570776672374 0.01103334452544 0.44112955585036 15.999 > 7 8 O 0.42570776672374 0.01103334452544 0.94112955585036 15.999 > 7 9 O 0.32229998880790 0.08134108886497 0.27446288918370 15.999 > 9 10 O 0.32229998880790 0.08134108886497 0.77446288918370 15.999 > 9 11 O 0.25199224446836 0.90762556660959 0.10779622251703 15.999 > 11 12 O 0.25199224446836 0.90762556660959 0.60779622251703 15.999 > 11 13 O 0.90762556660959 0.65563332214123 0.39220377748297 15.999 > 1 14 O 0.90762556660959 0.65563332214123 0.89220377748297 15.999 > 1 15 O 0.01103334452544 0.58532557780170 0.05887044414964 15.999 > 3 16 O 0.01103334452544 0.58532557780170 0.55887044414964 15.999 > 3 17 O 0.08134108886497 0.75904110005707 0.22553711081630 15.999 > 5 18 O 0.08134108886497 0.75904110005707 0.72553711081630 15.999 > 5 19 O 0.09237443339041 0.34436667785877 0.10779622251703 15.999 > 7 20 O 0.09237443339041 0.34436667785877 0.60779622251703 15.999 > 7 21 O 0.98896665547456 0.41467442219830 0.44112955585036 15.999 > 9 22 O 0.98896665547456 0.41467442219830 0.94112955585036 15.999 > 9 23 O 0.91865891113503 0.24095889994293 0.27446288918370 15.999 > 11 24 O 0.91865891113503 0.24095889994293 0.77446288918370 15.999 > 11 25 O 0.57429223327626 0.98896665547456 0.05887044414964 15.999 > 1 26 O 0.57429223327626 0.98896665547456 0.55887044414964 15.999 > 1 27 O 0.67770001119210 0.91865891113503 0.22553711081630 15.999 > 3 28 O 0.67770001119210 0.91865891113503 0.72553711081630 15.999 > 3 29 O 0.74800775553163 0.09237443339041 0.39220377748297 15.999 > 5 30 O 0.74800775553163 0.09237443339041 0.89220377748297 15.999 > 5 31 O 0.75904110005707 0.67770001119210 0.27446288918370 15.999 > 7 32 O 0.75904110005707 0.67770001119210 0.77446288918370 15.999 > 7 33 O 0.65563332214123 0.74800775553163 0.10779622251703 15.999 > 9 34 O 0.65563332214123 0.74800775553163 0.60779622251703 15.999 > 9 35 O 0.58532557780170 0.57429223327626 0.44112955585036 15.999 > 11 36 O 0.58532557780170 0.57429223327626 0.94112955585036 15.999 > 11 37 Cl 0.40118148945404 0.84932813954125 0.23537429738980 35.453 > 37 38 Cl 0.40118148945404 0.84932813954125 0.73537429738980 35.453 > 37 39 Cl 0.11481331675387 0.93215184387929 0.40204096405647 35.453 > 39 40 Cl 0.11481331675387 0.93215184387929 0.90204096405647 35.453 > 39 41 Cl 0.48400519379209 0.21852001657946 0.06870763072313 35.453 > 41 42 Cl 0.48400519379209 0.21852001657946 0.56870763072313 35.453 > 41 43 Cl 0.26548517721263 0.48400519379209 0.43129236927687 35.453 > 43 44 Cl 0.26548517721263 0.48400519379209 0.93129236927687 35.453 > 43 45 Cl 0.55185334991279 0.40118148945404 0.26462570261020 35.453 > 45 46 Cl 0.55185334991279 0.40118148945404 0.76462570261020 35.453 > 45 47 Cl 0.18266147287458 0.11481331675387 0.09795903594353 35.453 > 47 48 Cl 0.18266147287458 0.11481331675387 0.59795903594353 35.453 > 47 49 Cl 0.06784815612071 0.18266147287458 0.40204096405647 35.453 > 37 50 Cl 0.06784815612071 0.18266147287458 0.90204096405647 35.453 > 37 51 Cl 0.78147998342054 0.26548517721263 0.06870763072313 35.453 > 39 52 Cl 0.78147998342054 0.26548517721263 0.56870763072313 35.453 > 39 53 Cl 0.15067186045875 0.55185334991279 0.23537429738980 35.453 > 41 54 Cl 0.15067186045875 0.55185334991279 0.73537429738980 35.453 > 41 55 Cl 0.93215184387929 0.81733852712542 0.09795903594353 35.453 > 43 56 Cl 0.93215184387929 0.81733852712542 0.59795903594353 35.453 > 43 57 Cl 0.21852001657946 0.73451482278737 0.43129236927687 35.453 > 45 58 Cl 0.21852001657946 0.73451482278737 0.93129236927687 35.453 > 45 59 Cl 0.84932813954125 0.44814665008721 0.26462570261020 35.453 > 47 60 Cl 0.84932813954125 0.44814665008721 0.76462570261020 35.453 > 47 61 Cl 0.73451482278737 0.51599480620791 0.06870763072313 35.453 > 37 62 Cl 0.73451482278737 0.51599480620791 0.56870763072313 35.453 > 37 63 Cl 0.44814665008721 0.59881851054596 0.23537429738980 35.453 > 39 64 Cl 0.44814665008721 0.59881851054596 0.73537429738980 35.453 > 39 65 Cl 0.81733852712542 0.88518668324613 0.40204096405647 35.453 > 41 66 Cl 0.81733852712542 0.88518668324613 0.90204096405647 35.453 > 41 67 Cl 0.59881851054596 0.15067186045875 0.26462570261020 35.453 > 43 68 Cl 0.59881851054596 0.15067186045875 0.76462570261020 35.453 > 43 69 Cl 0.88518668324613 0.06784815612071 0.09795903594353 35.453 > 45 70 Cl 0.88518668324613 0.06784815612071 0.59795903594353 35.453 > 45 71 Cl 0.51599480620791 0.78147998342054 0.43129236927687 35.453 > 47 72 Cl 0.51599480620791 0.78147998342054 0.93129236927687 35.453 > 47 73 Au 0.27421238172500 0.19688193759649 0.24617887102932 196.967 > 73 74 Au 0.27421238172500 0.19688193759649 0.74617887102932 196.967 > 73 75 Au 0.46978472907018 0.41066377746184 0.41284553769598 196.967 > 75 76 Au 0.46978472907018 0.41066377746184 0.91284553769598 196.967 > 75 77 Au 0.25600288920483 0.39245428494167 0.07951220436265 196.967 > 77 78 Au 0.25600288920483 0.39245428494167 0.57951220436265 196.967 > 77 79 Au 0.39245428494167 0.13645139573685 0.42048779563735 196.967 > 79 80 Au 0.39245428494167 0.13645139573685 0.92048779563735 196.967 > 79 81 Au 0.19688193759649 0.92266955587149 0.25382112897068 196.967 > 81 82 Au 0.19688193759649 0.92266955587149 0.75382112897068 196.967 > 81 83 Au 0.41066377746184 0.94087904839166 0.08715446230402 196.967 > 83 84 Au 0.41066377746184 0.94087904839166 0.58715446230402 196.967 > 83 85 Au 0.94087904839166 0.53021527092982 0.41284553769598 196.967 > 73 86 Au 0.94087904839166 0.53021527092982 0.91284553769598 196.967 > 73 87 Au 0.13645139573685 0.74399711079518 0.07951220436265 196.967 > 75 88 Au 0.13645139573685 0.74399711079518 0.57951220436265 196.967 > 75 89 Au 0.92266955587149 0.72578761827500 0.24617887102932 196.967 > 77 90 Au 0.92266955587149 0.72578761827500 0.74617887102932 196.967 > 77 91 Au 0.05912095160834 0.46978472907018 0.08715446230402 196.967 > 79 92 Au 0.05912095160834 0.46978472907018 0.58715446230402 196.967 > 79 93 Au 0.86354860426315 0.25600288920483 0.42048779563735 196.967 > 81 94 Au 0.86354860426315 0.25600288920483 0.92048779563735 196.967 > 81 95 Au 0.07733044412851 0.27421238172500 0.25382112897068 196.967 > 83 96 Au 0.07733044412851 0.27421238172500 0.75382112897068 196.967 > 83 97 Au 0.60754571505833 0.86354860426315 0.07951220436265 196.967 > 73 98 Au 0.60754571505833 0.86354860426315 0.57951220436265 196.967 > 73 99 Au 0.80311806240351 0.07733044412851 0.24617887102932 196.967 > 75 100 Au 0.80311806240351 0.07733044412851 0.74617887102932 196.967 > 75 101 Au 0.58933622253816 0.05912095160834 0.41284553769598 196.967 > 77 102 Au 0.58933622253816 0.05912095160834 0.91284553769598 196.967 > 77 103 Au 0.72578761827500 0.80311806240351 0.25382112897068 196.967 > 79 104 Au 0.72578761827500 0.80311806240351 0.75382112897068 196.967 > 79 105 Au 0.53021527092982 0.58933622253816 0.08715446230402 196.967 > 81 106 Au 0.53021527092982 0.58933622253816 0.58715446230402 196.967 > 81 107 Au 0.74399711079518 0.60754571505833 0.42048779563735 196.967 > 83 108 Au 0.74399711079518 0.60754571505833 0.92048779563735 196.967 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0786355 0.0000006 0.0000000 -0.0000006 6.0786355 0.0000000 0.0000000 0.0000000 7.4404239 -------------------------- Born effective charges -------------------------- 1 O -1.6220612 0.1654149 0.3617672 0.1523710 -0.8437295 0.6910444 0.1722488 1.0269357 -0.9908101 2 O -0.9007071 0.2641030 -0.7793456 0.2510591 -1.5650836 -0.0322226 -0.9754769 -0.3642960 -0.9908101 3 O -1.1759177 -0.4099520 0.4175784 -0.4229959 -1.2898730 -0.6588218 0.8032280 -0.6626397 -0.9908101 4 O -1.6220612 0.1654149 0.3617672 0.1523710 -0.8437295 0.6910444 0.1722488 1.0269357 -0.9908101 5 O -0.9007071 0.2641030 -0.7793456 0.2510591 -1.5650836 -0.0322226 -0.9754769 -0.3642960 -0.9908101 6 O -1.1759177 -0.4099520 0.4175784 -0.4229959 -1.2898730 -0.6588218 0.8032280 -0.6626397 -0.9908101 7 Cl -0.3456522 0.0114094 0.0580746 0.0554879 -0.5551598 0.4763650 -0.0647820 0.4265917 -1.1146463 8 Cl -0.5317503 0.0519559 0.3835069 0.0960344 -0.3690617 -0.2884765 0.4018303 -0.1571930 -1.1146463 9 Cl -0.4738155 -0.1294830 -0.4415815 -0.0854045 -0.4269965 -0.1878885 -0.3370483 -0.2693988 -1.1146463 10 Cl -0.3456522 0.0114094 0.0580746 0.0554879 -0.5551598 0.4763650 -0.0647820 0.4265917 -1.1146463 11 Cl -0.5317503 0.0519559 0.3835069 0.0960344 -0.3690617 -0.2884765 0.4018303 -0.1571930 -1.1146463 12 Cl -0.4738155 -0.1294830 -0.4415815 -0.0854045 -0.4269965 -0.1878885 -0.3370483 -0.2693988 -1.1146463 13 Au 2.0056026 -0.7765720 1.1835683 -0.8076066 1.3610000 0.2070686 1.3095893 0.0755040 2.1054564 14 Au 0.8361811 0.1324408 -0.7711108 0.1014062 2.5304215 0.9214660 -0.7201830 1.0963856 2.1054564 15 Au 2.2081201 0.6906831 -0.4124575 0.6596485 1.1584825 -1.1285345 -0.5894062 -1.1718896 2.1054564 16 Au 2.0056026 -0.7765720 1.1835683 -0.8076066 1.3610000 0.2070686 1.3095893 0.0755040 2.1054564 17 Au 0.8361811 0.1324408 -0.7711108 0.1014062 2.5304215 0.9214660 -0.7201830 1.0963856 2.1054564 18 Au 2.2081201 0.6906831 -0.4124575 0.6596485 1.1584825 -1.1285345 -0.5894062 -1.1718896 2.1054564 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zxz) 0.00000002 (zxz) 0.00000002 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (zx) 0.00000003 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:09:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:09:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.818345194097201 3.936573433239802 2.137404443333331 b -6.818345194097188 3.936573433239802 2.137404443333331 c 0.000000000000006 -7.873146866479616 2.137404443333331 Atomic positions (fractional): 1 O 0.69203312157554 0.53241531049758 0.12877423282471 15.999 2 O 0.12877423282471 0.69203312157554 0.53241531049758 15.999 3 O 0.53241531049758 0.12877423282471 0.69203312157553 15.999 4 O 0.30796687842447 0.46758468950243 0.87122576717529 15.999 5 O 0.87122576717529 0.30796687842447 0.46758468950242 15.999 6 O 0.46758468950242 0.87122576717529 0.30796687842446 15.999 7 Cl 0.87193008423364 0.91889524486681 0.62142045523835 35.453 8 Cl 0.91889524486680 0.62142045523835 0.87193008423364 35.453 9 Cl 0.62142045523835 0.87193008423364 0.91889524486680 35.453 10 Cl 0.12806991576636 0.08110475513320 0.37857954476165 35.453 11 Cl 0.08110475513320 0.37857954476165 0.12806991576636 35.453 12 Cl 0.37857954476165 0.12806991576636 0.08110475513320 35.453 13 Au 0.76657012378363 0.41502729793013 0.29547580446215 196.967 14 Au 0.29547580446215 0.76657012378363 0.41502729793013 196.967 15 Au 0.41502729793013 0.29547580446215 0.76657012378363 196.967 16 Au 0.23342987621637 0.58497270206988 0.70452419553785 196.967 17 Au 0.70452419553785 0.23342987621637 0.58497270206987 196.967 18 Au 0.58497270206987 0.70452419553785 0.23342987621637 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.636690388194390 0.000000000000000 0.000000000000000 b -6.818345194097195 11.809720299719420 0.000000000000000 c 0.000000000000000 0.000000000000000 12.824426659999997 Atomic positions (fractional): 1 O 0.24095889994293 0.32229998880790 0.22553711081630 15.999 > 1 2 O 0.24095889994293 0.32229998880790 0.72553711081630 15.999 > 1 3 O 0.34436667785877 0.25199224446836 0.39220377748297 15.999 > 3 4 O 0.34436667785877 0.25199224446836 0.89220377748297 15.999 > 3 5 O 0.41467442219830 0.42570776672374 0.05887044414964 15.999 > 5 6 O 0.41467442219830 0.42570776672374 0.55887044414964 15.999 > 5 7 O 0.42570776672374 0.01103334452544 0.44112955585036 15.999 > 7 8 O 0.42570776672374 0.01103334452544 0.94112955585036 15.999 > 7 9 O 0.32229998880790 0.08134108886497 0.27446288918370 15.999 > 9 10 O 0.32229998880790 0.08134108886497 0.77446288918370 15.999 > 9 11 O 0.25199224446836 0.90762556660959 0.10779622251703 15.999 > 11 12 O 0.25199224446836 0.90762556660959 0.60779622251703 15.999 > 11 13 O 0.90762556660959 0.65563332214123 0.39220377748297 15.999 > 1 14 O 0.90762556660959 0.65563332214123 0.89220377748297 15.999 > 1 15 O 0.01103334452544 0.58532557780170 0.05887044414964 15.999 > 3 16 O 0.01103334452544 0.58532557780170 0.55887044414964 15.999 > 3 17 O 0.08134108886497 0.75904110005707 0.22553711081630 15.999 > 5 18 O 0.08134108886497 0.75904110005707 0.72553711081630 15.999 > 5 19 O 0.09237443339041 0.34436667785877 0.10779622251703 15.999 > 7 20 O 0.09237443339041 0.34436667785877 0.60779622251703 15.999 > 7 21 O 0.98896665547456 0.41467442219830 0.44112955585036 15.999 > 9 22 O 0.98896665547456 0.41467442219830 0.94112955585036 15.999 > 9 23 O 0.91865891113503 0.24095889994293 0.27446288918370 15.999 > 11 24 O 0.91865891113503 0.24095889994293 0.77446288918370 15.999 > 11 25 O 0.57429223327626 0.98896665547456 0.05887044414964 15.999 > 1 26 O 0.57429223327626 0.98896665547456 0.55887044414964 15.999 > 1 27 O 0.67770001119210 0.91865891113503 0.22553711081630 15.999 > 3 28 O 0.67770001119210 0.91865891113503 0.72553711081630 15.999 > 3 29 O 0.74800775553163 0.09237443339041 0.39220377748297 15.999 > 5 30 O 0.74800775553163 0.09237443339041 0.89220377748297 15.999 > 5 31 O 0.75904110005707 0.67770001119210 0.27446288918370 15.999 > 7 32 O 0.75904110005707 0.67770001119210 0.77446288918370 15.999 > 7 33 O 0.65563332214123 0.74800775553163 0.10779622251703 15.999 > 9 34 O 0.65563332214123 0.74800775553163 0.60779622251703 15.999 > 9 35 O 0.58532557780170 0.57429223327626 0.44112955585036 15.999 > 11 36 O 0.58532557780170 0.57429223327626 0.94112955585036 15.999 > 11 37 Cl 0.40118148945404 0.84932813954125 0.23537429738980 35.453 > 37 38 Cl 0.40118148945404 0.84932813954125 0.73537429738980 35.453 > 37 39 Cl 0.11481331675387 0.93215184387929 0.40204096405647 35.453 > 39 40 Cl 0.11481331675387 0.93215184387929 0.90204096405647 35.453 > 39 41 Cl 0.48400519379209 0.21852001657946 0.06870763072313 35.453 > 41 42 Cl 0.48400519379209 0.21852001657946 0.56870763072313 35.453 > 41 43 Cl 0.26548517721263 0.48400519379209 0.43129236927687 35.453 > 43 44 Cl 0.26548517721263 0.48400519379209 0.93129236927687 35.453 > 43 45 Cl 0.55185334991279 0.40118148945404 0.26462570261020 35.453 > 45 46 Cl 0.55185334991279 0.40118148945404 0.76462570261020 35.453 > 45 47 Cl 0.18266147287458 0.11481331675387 0.09795903594353 35.453 > 47 48 Cl 0.18266147287458 0.11481331675387 0.59795903594353 35.453 > 47 49 Cl 0.06784815612071 0.18266147287458 0.40204096405647 35.453 > 37 50 Cl 0.06784815612071 0.18266147287458 0.90204096405647 35.453 > 37 51 Cl 0.78147998342054 0.26548517721263 0.06870763072313 35.453 > 39 52 Cl 0.78147998342054 0.26548517721263 0.56870763072313 35.453 > 39 53 Cl 0.15067186045875 0.55185334991279 0.23537429738980 35.453 > 41 54 Cl 0.15067186045875 0.55185334991279 0.73537429738980 35.453 > 41 55 Cl 0.93215184387929 0.81733852712542 0.09795903594353 35.453 > 43 56 Cl 0.93215184387929 0.81733852712542 0.59795903594353 35.453 > 43 57 Cl 0.21852001657946 0.73451482278737 0.43129236927687 35.453 > 45 58 Cl 0.21852001657946 0.73451482278737 0.93129236927687 35.453 > 45 59 Cl 0.84932813954125 0.44814665008721 0.26462570261020 35.453 > 47 60 Cl 0.84932813954125 0.44814665008721 0.76462570261020 35.453 > 47 61 Cl 0.73451482278737 0.51599480620791 0.06870763072313 35.453 > 37 62 Cl 0.73451482278737 0.51599480620791 0.56870763072313 35.453 > 37 63 Cl 0.44814665008721 0.59881851054596 0.23537429738980 35.453 > 39 64 Cl 0.44814665008721 0.59881851054596 0.73537429738980 35.453 > 39 65 Cl 0.81733852712542 0.88518668324613 0.40204096405647 35.453 > 41 66 Cl 0.81733852712542 0.88518668324613 0.90204096405647 35.453 > 41 67 Cl 0.59881851054596 0.15067186045875 0.26462570261020 35.453 > 43 68 Cl 0.59881851054596 0.15067186045875 0.76462570261020 35.453 > 43 69 Cl 0.88518668324613 0.06784815612071 0.09795903594353 35.453 > 45 70 Cl 0.88518668324613 0.06784815612071 0.59795903594353 35.453 > 45 71 Cl 0.51599480620791 0.78147998342054 0.43129236927687 35.453 > 47 72 Cl 0.51599480620791 0.78147998342054 0.93129236927687 35.453 > 47 73 Au 0.27421238172500 0.19688193759649 0.24617887102932 196.967 > 73 74 Au 0.27421238172500 0.19688193759649 0.74617887102932 196.967 > 73 75 Au 0.46978472907018 0.41066377746184 0.41284553769598 196.967 > 75 76 Au 0.46978472907018 0.41066377746184 0.91284553769598 196.967 > 75 77 Au 0.25600288920483 0.39245428494167 0.07951220436265 196.967 > 77 78 Au 0.25600288920483 0.39245428494167 0.57951220436265 196.967 > 77 79 Au 0.39245428494167 0.13645139573685 0.42048779563735 196.967 > 79 80 Au 0.39245428494167 0.13645139573685 0.92048779563735 196.967 > 79 81 Au 0.19688193759649 0.92266955587149 0.25382112897068 196.967 > 81 82 Au 0.19688193759649 0.92266955587149 0.75382112897068 196.967 > 81 83 Au 0.41066377746184 0.94087904839166 0.08715446230402 196.967 > 83 84 Au 0.41066377746184 0.94087904839166 0.58715446230402 196.967 > 83 85 Au 0.94087904839166 0.53021527092982 0.41284553769598 196.967 > 73 86 Au 0.94087904839166 0.53021527092982 0.91284553769598 196.967 > 73 87 Au 0.13645139573685 0.74399711079518 0.07951220436265 196.967 > 75 88 Au 0.13645139573685 0.74399711079518 0.57951220436265 196.967 > 75 89 Au 0.92266955587149 0.72578761827500 0.24617887102932 196.967 > 77 90 Au 0.92266955587149 0.72578761827500 0.74617887102932 196.967 > 77 91 Au 0.05912095160834 0.46978472907018 0.08715446230402 196.967 > 79 92 Au 0.05912095160834 0.46978472907018 0.58715446230402 196.967 > 79 93 Au 0.86354860426315 0.25600288920483 0.42048779563735 196.967 > 81 94 Au 0.86354860426315 0.25600288920483 0.92048779563735 196.967 > 81 95 Au 0.07733044412851 0.27421238172500 0.25382112897068 196.967 > 83 96 Au 0.07733044412851 0.27421238172500 0.75382112897068 196.967 > 83 97 Au 0.60754571505833 0.86354860426315 0.07951220436265 196.967 > 73 98 Au 0.60754571505833 0.86354860426315 0.57951220436265 196.967 > 73 99 Au 0.80311806240351 0.07733044412851 0.24617887102932 196.967 > 75 100 Au 0.80311806240351 0.07733044412851 0.74617887102932 196.967 > 75 101 Au 0.58933622253816 0.05912095160834 0.41284553769598 196.967 > 77 102 Au 0.58933622253816 0.05912095160834 0.91284553769598 196.967 > 77 103 Au 0.72578761827500 0.80311806240351 0.25382112897068 196.967 > 79 104 Au 0.72578761827500 0.80311806240351 0.75382112897068 196.967 > 79 105 Au 0.53021527092982 0.58933622253816 0.08715446230402 196.967 > 81 106 Au 0.53021527092982 0.58933622253816 0.58715446230402 196.967 > 81 107 Au 0.74399711079518 0.60754571505833 0.42048779563735 196.967 > 83 108 Au 0.74399711079518 0.60754571505833 0.92048779563735 196.967 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.0786355 0.0000006 0.0000000 -0.0000006 6.0786355 0.0000000 0.0000000 0.0000000 7.4404239 -------------------------- Born effective charges -------------------------- 1 O -1.6220612 0.1654149 0.3617672 0.1523710 -0.8437295 0.6910444 0.1722488 1.0269357 -0.9908101 2 O -0.9007071 0.2641030 -0.7793456 0.2510591 -1.5650836 -0.0322226 -0.9754769 -0.3642960 -0.9908101 3 O -1.1759177 -0.4099520 0.4175784 -0.4229959 -1.2898730 -0.6588218 0.8032280 -0.6626397 -0.9908101 4 O -1.6220612 0.1654149 0.3617672 0.1523710 -0.8437295 0.6910444 0.1722488 1.0269357 -0.9908101 5 O -0.9007071 0.2641030 -0.7793456 0.2510591 -1.5650836 -0.0322226 -0.9754769 -0.3642960 -0.9908101 6 O -1.1759177 -0.4099520 0.4175784 -0.4229959 -1.2898730 -0.6588218 0.8032280 -0.6626397 -0.9908101 7 Cl -0.3456522 0.0114094 0.0580746 0.0554879 -0.5551598 0.4763650 -0.0647820 0.4265917 -1.1146463 8 Cl -0.5317503 0.0519559 0.3835069 0.0960344 -0.3690617 -0.2884765 0.4018303 -0.1571930 -1.1146463 9 Cl -0.4738155 -0.1294830 -0.4415815 -0.0854045 -0.4269965 -0.1878885 -0.3370483 -0.2693988 -1.1146463 10 Cl -0.3456522 0.0114094 0.0580746 0.0554879 -0.5551598 0.4763650 -0.0647820 0.4265917 -1.1146463 11 Cl -0.5317503 0.0519559 0.3835069 0.0960344 -0.3690617 -0.2884765 0.4018303 -0.1571930 -1.1146463 12 Cl -0.4738155 -0.1294830 -0.4415815 -0.0854045 -0.4269965 -0.1878885 -0.3370483 -0.2693988 -1.1146463 13 Au 2.0056026 -0.7765720 1.1835683 -0.8076066 1.3610000 0.2070686 1.3095893 0.0755040 2.1054564 14 Au 0.8361811 0.1324408 -0.7711108 0.1014062 2.5304215 0.9214660 -0.7201830 1.0963856 2.1054564 15 Au 2.2081201 0.6906831 -0.4124575 0.6596485 1.1584825 -1.1285345 -0.5894062 -1.1718896 2.1054564 16 Au 2.0056026 -0.7765720 1.1835683 -0.8076066 1.3610000 0.2070686 1.3095893 0.0755040 2.1054564 17 Au 0.8361811 0.1324408 -0.7711108 0.1014062 2.5304215 0.9214660 -0.7201830 1.0963856 2.1054564 18 Au 2.2081201 0.6906831 -0.4124575 0.6596485 1.1584825 -1.1285345 -0.5894062 -1.1718896 2.1054564 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zxz) 0.00000002 (zxz) 0.00000002 (zzx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.59, Number of G-points: 291, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.846 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 2.040 ( 0.000 0.000 0.000) 0.000 2.134 ( 0.000 0.000 0.000) 0.000 2.134 ( 0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 3.398 ( 0.000 0.000 0.000) 0.000 3.398 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.541 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 4.936 ( 0.000 0.000 0.000) 0.000 5.832 ( 0.000 0.000 0.000) 0.000 5.832 ( 0.000 0.000 0.000) 0.000 10.872 ( 0.000 0.000 0.000) 0.000 10.896 ( 0.000 0.000 0.000) 0.000 10.896 ( 0.000 0.000 0.000) 0.000 11.032 ( 0.000 0.000 0.000) 0.000 11.066 ( 0.000 0.000 0.000) 0.000 11.066 ( 0.000 0.000 0.000) 0.000 11.637 ( 0.000 0.000 0.000) 0.000 11.637 ( 0.000 0.000 0.000) 0.000 12.282 ( 0.000 0.000 0.000) 0.000 12.360 ( 0.000 0.000 0.000) 0.000 12.360 ( 0.000 0.000 0.000) 0.000 13.084 ( 0.000 0.000 0.000) 0.000 15.485 ( 0.000 0.000 0.000) 0.000 15.485 ( 0.000 0.000 0.000) 0.000 15.660 ( 0.000 0.000 0.000) 0.000 16.424 ( 0.000 0.000 0.000) 0.000 16.507 ( 0.000 0.000 0.000) 0.000 16.507 ( 0.000 0.000 0.000) 0.000 17.657 ( 0.000 0.000 0.000) 0.000 18.769 ( 0.000 0.000 0.000) 0.000 18.769 ( 0.000 0.000 0.000) 0.000 18.861 ( 0.000 0.000 0.000) 0.000 18.873 ( 0.000 0.000 0.000) 0.000 18.873 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.216 ( 4.388 2.445 10.047) 11.233 0.405 ( 12.138 6.631 15.519) 20.788 0.581 ( 11.555 7.162 24.542) 28.055 1.832 ( -4.887 -4.858 -2.301) 7.265 1.864 ( -2.536 -2.526 -2.170) 4.186 1.888 ( -1.601 3.271 -7.332) 8.187 2.071 ( 1.334 0.694 0.297) 1.533 2.156 ( 0.692 -0.958 1.551) 1.950 2.209 ( 4.924 3.027 2.742) 6.397 2.606 ( -2.742 1.914 -0.180) 3.349 2.627 ( 1.420 -2.849 0.188) 3.189 2.736 ( -1.772 -1.158 -1.884) 2.834 2.798 ( -5.078 -2.997 -2.555) 6.426 2.963 ( -0.971 0.027 -0.252) 1.003 3.003 ( 4.999 2.887 -1.572) 5.983 3.364 ( -1.413 -0.462 -1.882) 2.398 3.389 ( 1.848 0.391 -2.313) 2.987 3.397 ( -1.411 -0.234 -0.138) 1.437 3.425 ( 1.222 0.467 0.588) 1.434 3.544 ( 0.784 0.472 -0.726) 1.169 3.792 ( 0.222 0.084 0.518) 0.570 3.894 ( -0.970 -0.523 -3.188) 3.373 4.098 ( -1.868 -1.936 -0.653) 2.768 4.122 ( -0.540 0.237 0.520) 0.786 4.280 ( -2.940 -2.059 2.704) 4.494 4.286 ( -0.364 0.446 1.547) 1.650 4.640 ( 1.818 0.987 -7.110) 7.405 5.065 ( 3.925 2.272 7.870) 9.083 5.813 ( -1.171 -1.181 -1.227) 2.066 5.841 ( 1.010 1.078 0.227) 1.494 10.860 ( -1.141 -0.487 -2.310) 2.622 10.878 ( 0.787 0.260 -2.258) 2.405 10.964 ( -3.292 -1.861 -1.656) 4.128 11.073 ( -2.843 -1.087 2.897) 4.202 11.090 ( 0.245 -1.995 2.755) 3.411 11.128 ( 1.064 2.278 3.105) 3.995 11.615 ( -0.170 -2.074 -1.879) 2.804 11.654 ( 1.340 2.720 0.049) 3.033 12.279 ( 0.301 -0.090 -0.471) 0.566 12.358 ( -1.692 -1.238 1.065) 2.351 12.393 ( 1.917 1.545 2.222) 3.316 13.076 ( -1.205 -0.689 -0.234) 1.408 15.486 ( -0.162 -0.144 0.238) 0.322 15.492 ( 0.350 0.294 0.528) 0.699 15.648 ( -1.031 -0.576 -0.625) 1.336 16.499 ( -1.361 -0.044 0.947) 1.659 16.507 ( 0.915 -0.769 -0.126) 1.202 16.754 ( -4.853 -2.233 1.377) 5.517 17.743 ( -1.849 -1.111 2.859) 3.582 18.725 ( -6.028 4.216 -3.333) 8.076 18.800 ( 7.914 -5.158 -4.202) 10.339 18.873 ( 1.498 0.460 -0.401) 1.618 18.876 ( 1.394 -0.498 0.440) 1.544 18.928 ( 4.102 6.088 -0.252) 7.345 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 4.147 2.106 10.820) 11.778 0.787 ( 10.775 6.006 13.939) 18.613 1.077 ( 9.480 6.454 18.216) 21.525 1.653 ( -1.948 -2.805 -9.393) 9.994 1.736 ( 0.261 2.062 -10.042) 10.255 1.869 ( -7.316 -2.491 5.640) 9.567 2.072 ( -1.966 0.215 -0.250) 1.993 2.179 ( 0.959 -2.466 1.217) 2.913 2.297 ( 3.018 2.703 1.459) 4.305 2.542 ( -4.507 -6.466 -3.462) 8.609 2.634 ( 1.855 1.865 1.655) 3.108 2.665 ( -2.958 -3.957 -1.814) 5.263 2.760 ( 1.254 2.704 -1.054) 3.162 2.944 ( -1.766 1.608 -0.846) 2.534 3.012 ( 4.163 2.043 -2.735) 5.384 3.315 ( -1.114 -0.058 -2.246) 2.508 3.347 ( 0.332 -0.555 -3.115) 3.181 3.393 ( -0.535 -0.032 0.647) 0.840 3.450 ( 1.298 0.564 0.781) 1.617 3.534 ( 0.299 0.549 -1.279) 1.423 3.783 ( 0.192 -0.208 -2.132) 2.151 3.802 ( -0.896 -0.614 -5.622) 5.726 4.051 ( -2.872 -4.572 -0.808) 5.460 4.127 ( -1.865 0.971 0.908) 2.290 4.293 ( -0.732 -5.530 2.554) 6.135 4.313 ( -3.602 4.544 1.748) 6.056 4.590 ( 3.503 1.129 -1.692) 4.050 5.236 ( 5.229 3.221 5.666) 8.356 5.765 ( -2.090 -2.108 -1.687) 3.414 5.863 ( 1.453 1.563 0.273) 2.151 10.818 ( -1.021 -0.311 -1.116) 1.545 10.843 ( 0.851 0.136 -2.387) 2.538 10.914 ( -0.562 -0.239 -1.594) 1.707 11.080 ( -2.377 -1.129 0.755) 2.738 11.123 ( -0.783 -0.559 1.502) 1.784 11.173 ( 1.201 0.283 -0.005) 1.234 11.574 ( -1.091 -1.090 -0.946) 1.809 11.698 ( 2.594 2.660 1.721) 4.095 12.268 ( -0.367 -1.497 -0.400) 1.592 12.363 ( -1.825 -0.844 1.813) 2.707 12.471 ( 2.902 2.309 3.239) 4.924 13.051 ( -2.078 -1.177 -0.554) 2.452 15.489 ( -0.105 -0.289 0.333) 0.453 15.509 ( 0.493 0.394 0.769) 0.995 15.621 ( -1.546 -0.739 -0.786) 1.885 16.503 ( 0.144 0.851 0.003) 0.863 16.513 ( 1.169 -0.918 0.238) 1.505 16.716 ( -3.035 -0.871 -1.088) 3.339 17.785 ( 1.417 0.725 2.177) 2.697 18.620 ( -5.412 0.352 -4.077) 6.785 18.777 ( 2.315 -2.656 -1.401) 3.791 18.876 ( 0.287 0.350 -0.088) 0.461 18.901 ( 2.683 -0.070 0.327) 2.704 18.974 ( 2.140 3.180 0.111) 3.835 ======================= Grid point 3 (4/125) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 3.417 1.531 10.216) 10.881 1.096 ( 7.023 3.854 9.756) 12.624 1.351 ( 1.926 -1.269 0.725) 2.418 1.513 ( 0.627 6.806 -4.055) 7.947 1.603 ( 5.177 0.668 -4.923) 7.175 1.919 ( -7.064 0.245 7.864) 10.574 2.033 ( -3.195 -0.307 -1.580) 3.578 2.195 ( 0.739 -4.379 1.377) 4.649 2.310 ( -3.778 2.597 -0.485) 4.610 2.433 ( 1.425 -9.708 -3.307) 10.354 2.591 ( -0.741 -5.316 -1.133) 5.486 2.706 ( 1.160 5.661 0.784) 5.831 2.760 ( -0.186 1.080 -0.625) 1.261 2.933 ( -2.083 3.723 0.398) 4.285 3.006 ( 4.626 1.287 -2.904) 5.611 3.276 ( -0.461 0.997 -1.594) 1.936 3.298 ( 0.069 -1.153 -1.764) 2.108 3.406 ( -0.323 -0.537 1.259) 1.406 3.475 ( 0.698 0.524 0.841) 1.212 3.515 ( -0.390 0.301 -0.844) 0.977 3.706 ( -0.569 -0.422 -4.545) 4.600 3.728 ( 1.779 0.325 -3.875) 4.277 3.977 ( -3.975 -4.670 -2.030) 6.460 4.134 ( -1.748 0.699 1.111) 2.186 4.301 ( 2.744 -6.912 0.584) 7.459 4.329 ( -5.763 6.664 1.661) 8.965 4.625 ( 2.567 0.151 1.590) 3.023 5.367 ( 4.922 3.343 2.729) 6.546 5.710 ( -2.429 -2.413 -1.088) 3.592 5.886 ( 1.229 1.330 0.223) 1.825 10.802 ( -0.741 0.827 -0.391) 1.177 10.818 ( 1.108 -0.951 -0.760) 1.646 10.900 ( 0.687 0.843 -0.216) 1.109 11.046 ( -2.013 -1.172 -1.824) 2.958 11.107 ( -2.191 0.147 -1.890) 2.897 11.171 ( 0.961 -1.474 -0.132) 1.764 11.559 ( -0.679 -0.176 0.294) 0.760 11.772 ( 2.850 2.673 2.278) 4.523 12.248 ( -1.183 -2.466 0.029) 2.735 12.381 ( -0.991 0.015 1.622) 1.901 12.563 ( 2.943 2.194 3.092) 4.799 13.014 ( -2.326 -1.313 -0.872) 2.809 15.493 ( 0.107 -0.355 0.259) 0.453 15.525 ( 0.193 0.133 0.449) 0.506 15.596 ( -1.190 -0.312 -0.313) 1.269 16.515 ( 1.189 0.267 0.436) 1.294 16.522 ( 0.669 0.059 0.167) 0.692 16.662 ( -2.468 -0.602 -2.114) 3.305 17.843 ( 2.456 1.301 1.923) 3.380 18.510 ( -4.489 -1.072 -3.369) 5.714 18.762 ( 0.738 -1.196 -0.673) 1.558 18.878 ( 0.223 0.326 -0.079) 0.403 18.926 ( 1.970 0.066 0.286) 1.991 18.998 ( 0.959 1.555 -0.018) 1.827 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 1.671 0.789 5.869) 6.153 1.218 ( -0.080 -0.308 -2.899) 2.916 1.296 ( 0.688 -1.048 2.552) 2.843 1.443 ( 1.099 2.335 -5.203) 5.808 1.705 ( 4.522 3.079 2.871) 6.178 1.982 ( -1.618 -0.257 -1.078) 1.961 2.020 ( -3.766 3.728 6.383) 8.296 2.175 ( -1.749 -1.855 -0.629) 2.626 2.309 ( 0.342 -3.296 1.967) 3.853 2.329 ( 0.671 -4.409 -4.736) 6.506 2.576 ( 1.311 -2.508 0.303) 2.846 2.680 ( -1.760 2.559 -2.784) 4.171 2.773 ( -0.520 0.991 0.499) 1.225 2.964 ( -2.220 1.876 2.776) 4.019 2.998 ( 4.193 0.650 -2.712) 5.035 3.256 ( -0.227 0.869 -0.893) 1.267 3.286 ( 0.356 -0.589 0.138) 0.702 3.422 ( 0.072 -0.306 0.676) 0.746 3.503 ( -0.165 0.825 0.595) 1.031 3.509 ( 0.456 -0.716 1.980) 2.155 3.606 ( -1.228 -0.584 -5.098) 5.276 3.732 ( 3.191 1.821 0.479) 3.705 3.882 ( -3.542 -3.002 -2.347) 5.203 4.140 ( -0.686 0.129 0.506) 0.862 4.294 ( 1.166 -2.434 -0.337) 2.720 4.341 ( -2.229 2.336 0.890) 3.349 4.665 ( 0.877 -0.087 0.961) 1.303 5.438 ( 2.254 1.646 0.601) 2.855 5.673 ( -1.290 -1.260 -0.211) 1.816 5.900 ( 0.481 0.524 0.097) 0.718 10.792 ( -0.126 0.396 -0.446) 0.610 10.826 ( 0.603 -0.502 0.600) 0.988 10.926 ( 1.173 1.557 1.594) 2.518 10.984 ( -1.605 -1.338 -2.688) 3.405 11.054 ( -1.149 -0.378 -1.569) 1.981 11.171 ( 0.210 -0.457 0.054) 0.505 11.562 ( -0.201 0.011 0.273) 0.339 11.830 ( 1.293 1.222 0.988) 2.036 12.231 ( -0.707 -1.262 0.085) 1.449 12.397 ( -0.288 0.130 0.644) 0.718 12.633 ( 1.450 1.019 1.441) 2.284 12.979 ( -1.212 -0.688 -0.570) 1.506 15.496 ( 0.136 -0.186 0.097) 0.250 15.528 ( -0.152 -0.061 0.014) 0.164 15.589 ( -0.303 0.043 0.081) 0.317 16.524 ( 0.514 -0.284 -0.043) 0.589 16.548 ( 1.234 0.880 1.473) 2.113 16.602 ( -1.904 -0.651 -2.132) 2.932 17.892 ( 1.320 0.702 0.903) 1.746 18.434 ( -1.949 -0.682 -1.427) 2.510 18.754 ( 0.168 -0.348 -0.210) 0.440 18.880 ( 0.086 0.137 -0.036) 0.166 18.941 ( 0.738 0.039 0.114) 0.748 19.007 ( 0.239 0.464 -0.039) 0.524 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -0.140 -8.088 16.761) 18.611 0.631 ( 0.114 2.744 16.590) 16.815 1.001 ( 0.166 12.311 19.901) 23.401 1.681 ( -0.874 -1.953 -10.552) 10.767 1.722 ( 0.880 2.237 -11.264) 11.518 1.923 ( 0.718 -9.800 5.825) 11.423 2.096 ( 0.298 -3.713 2.335) 4.396 2.194 ( -1.891 3.558 1.349) 4.249 2.243 ( 1.050 6.364 1.531) 6.629 2.584 ( 0.353 -5.892 -0.887) 5.969 2.658 ( -3.032 2.634 0.878) 4.111 2.701 ( -0.766 -2.080 -2.345) 3.227 2.715 ( 2.671 2.509 -5.391) 6.518 2.948 ( 1.993 -1.416 -2.267) 3.334 2.973 ( -1.382 1.110 -0.313) 1.800 3.325 ( 0.734 -0.116 -3.044) 3.134 3.340 ( -0.807 0.984 -2.804) 3.079 3.402 ( 0.187 -2.234 1.085) 2.490 3.439 ( -0.101 1.785 0.845) 1.977 3.531 ( 0.085 0.694 -0.817) 1.076 3.782 ( -0.061 -0.213 -1.983) 1.995 3.810 ( -0.015 -1.093 -6.181) 6.277 4.089 ( -1.143 -4.265 0.121) 4.417 4.132 ( 0.896 0.654 0.047) 1.110 4.289 ( -0.484 -5.978 1.552) 6.195 4.365 ( 1.095 3.839 3.011) 5.001 4.548 ( -0.449 5.263 -3.266) 6.210 5.191 ( 0.054 1.947 6.707) 6.984 5.792 ( -0.401 -2.751 -1.150) 3.009 5.841 ( 0.361 2.371 -0.087) 2.400 10.829 ( 0.461 -0.192 -1.589) 1.666 10.833 ( -0.480 0.014 -2.004) 2.061 10.920 ( 0.022 -0.657 -2.589) 2.671 11.104 ( 0.150 -2.910 0.689) 2.994 11.143 ( 0.338 0.261 1.094) 1.174 11.147 ( -0.565 0.730 1.039) 1.389 11.591 ( -0.250 -3.020 -0.751) 3.122 11.666 ( 0.433 5.071 0.946) 5.177 12.269 ( -0.295 0.232 -0.695) 0.790 12.399 ( -0.230 -1.184 2.378) 2.667 12.430 ( 0.414 0.986 3.195) 3.369 13.068 ( 0.006 -1.368 -0.668) 1.522 15.493 ( -0.096 -0.318 0.424) 0.539 15.502 ( 0.077 0.550 0.729) 0.916 15.634 ( 0.029 -0.978 -0.967) 1.375 16.497 ( 0.159 -0.631 -0.014) 0.651 16.511 ( -0.360 1.019 -0.030) 1.081 16.741 ( 0.217 -2.109 -1.993) 2.910 17.778 ( -0.027 0.174 1.765) 1.774 18.655 ( 1.589 -5.503 -3.439) 6.681 18.758 ( -1.668 5.716 -2.734) 6.552 18.879 ( -0.121 1.596 0.487) 1.673 18.885 ( -0.758 -2.794 1.327) 3.184 18.945 ( 0.956 3.707 1.159) 4.000 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -5.544 -4.592 15.789) 17.353 0.956 ( 8.653 1.254 13.551) 16.127 1.318 ( 1.228 3.978 8.133) 9.136 1.510 ( 0.920 3.799 -6.086) 7.233 1.544 ( 1.045 2.803 -10.811) 11.217 1.979 ( 0.650 -12.850 6.255) 14.306 2.087 ( -3.892 -3.190 0.611) 5.069 2.207 ( -1.838 1.232 0.764) 2.341 2.325 ( 2.655 4.614 1.236) 5.465 2.466 ( -5.688 -4.419 -4.981) 8.757 2.637 ( -4.086 -2.833 -1.321) 5.144 2.666 ( 2.614 2.770 0.515) 3.843 2.742 ( 2.754 4.479 0.570) 5.289 2.908 ( 4.936 -2.889 -3.760) 6.844 2.970 ( -1.258 1.818 0.287) 2.230 3.280 ( 0.400 0.304 -2.456) 2.506 3.297 ( -0.317 0.888 -1.900) 2.121 3.416 ( -0.597 -1.630 1.696) 2.426 3.467 ( 0.247 0.911 1.543) 1.809 3.521 ( -0.142 0.415 -0.528) 0.686 3.698 ( 0.542 0.456 -5.293) 5.340 3.723 ( -0.244 -0.526 -4.475) 4.513 4.044 ( -3.645 -3.679 -1.037) 5.282 4.136 ( 1.282 0.464 -1.019) 1.702 4.275 ( 0.353 -6.779 0.498) 6.806 4.420 ( -4.108 6.481 1.664) 7.852 4.566 ( 3.458 4.691 0.351) 5.839 5.307 ( 2.156 2.001 4.464) 5.346 5.749 ( -2.023 -3.578 -0.670) 4.165 5.862 ( 1.411 2.413 0.103) 2.798 10.804 ( 0.512 -0.905 -1.079) 1.498 10.816 ( -0.713 0.529 0.056) 0.889 10.890 ( 0.497 0.541 -0.880) 1.146 11.074 ( -1.108 -1.764 -2.127) 2.977 11.127 ( 0.274 -1.874 -2.525) 3.156 11.164 ( -0.678 1.170 0.844) 1.594 11.570 ( -0.447 -2.942 0.355) 2.996 11.732 ( 1.782 6.541 1.985) 7.064 12.252 ( -0.109 -0.434 -1.136) 1.221 12.422 ( -2.955 -1.544 2.847) 4.385 12.511 ( 3.102 1.201 3.367) 4.733 13.041 ( -0.845 -1.900 -1.231) 2.416 15.496 ( -0.348 -0.481 0.327) 0.678 15.520 ( 0.346 0.622 0.648) 0.963 15.611 ( -0.499 -0.794 -0.866) 1.276 16.499 ( 0.491 -0.530 0.339) 0.798 16.517 ( 0.078 0.839 0.365) 0.918 16.688 ( -0.709 -1.309 -2.740) 3.118 17.820 ( 0.549 1.349 2.399) 2.807 18.563 ( -1.533 -5.279 -3.829) 6.699 18.740 ( 1.154 4.522 -2.240) 5.176 18.887 ( -1.141 -2.186 1.291) 2.783 18.902 ( 0.892 0.930 0.760) 1.496 18.984 ( 0.860 2.679 0.655) 2.889 ======================= Grid point 12 (8/125) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -5.948 -2.923 12.274) 13.949 1.198 ( 3.601 1.901 4.101) 5.779 1.278 ( 0.367 -1.931 -2.228) 2.971 1.415 ( 2.279 2.793 -6.292) 7.251 1.618 ( 4.680 6.031 5.231) 9.254 1.988 ( 0.585 -9.660 -0.493) 9.691 2.084 ( -3.405 -3.248 4.031) 6.196 2.199 ( -0.357 -3.694 0.433) 3.736 2.302 ( 1.322 -9.293 -4.107) 10.245 2.366 ( -5.684 5.850 -0.360) 8.165 2.583 ( -3.439 -0.141 -0.015) 3.442 2.694 ( 0.562 2.528 -0.837) 2.721 2.788 ( -0.610 4.041 0.502) 4.117 2.889 ( 8.228 -2.632 -3.264) 9.235 2.988 ( -0.882 2.417 2.081) 3.310 3.255 ( 0.349 -0.794 -0.683) 1.104 3.281 ( 0.101 1.212 -0.447) 1.296 3.430 ( -0.935 -1.095 1.304) 1.943 3.504 ( 0.055 -0.066 2.443) 2.445 3.516 ( -0.757 0.250 0.213) 0.826 3.624 ( -0.837 -0.592 -5.213) 5.313 3.680 ( 2.670 3.547 0.256) 4.447 3.962 ( -5.394 -1.685 -2.458) 6.163 4.122 ( 2.753 0.282 -2.595) 3.794 4.256 ( 1.434 -7.087 0.507) 7.248 4.423 ( -5.538 7.462 -0.381) 9.300 4.625 ( 3.715 3.779 0.029) 5.299 5.398 ( 2.203 1.734 2.990) 4.099 5.708 ( -2.462 -3.665 -0.007) 4.415 5.886 ( 1.184 1.611 0.226) 2.012 10.792 ( 0.110 -1.064 -0.112) 1.075 10.826 ( -0.487 0.462 1.223) 1.395 10.905 ( 1.361 1.356 1.081) 2.205 11.006 ( -1.087 -1.356 -3.412) 3.829 11.068 ( -0.555 -2.266 -2.270) 3.255 11.173 ( -0.349 1.933 -0.125) 1.968 11.564 ( 0.008 -2.649 0.468) 2.690 11.808 ( 1.267 6.262 1.508) 6.565 12.224 ( 0.741 -0.370 -2.023) 2.186 12.435 ( -3.399 -1.900 2.374) 4.561 12.595 ( 2.904 0.797 2.552) 3.948 12.998 ( -0.909 -2.055 -1.623) 2.772 15.496 ( -0.177 -0.303 0.208) 0.408 15.531 ( -0.118 0.367 0.195) 0.432 15.593 ( -0.192 -0.388 -0.535) 0.688 16.513 ( 0.724 -0.700 0.904) 1.353 16.533 ( 0.502 0.833 0.823) 1.274 16.627 ( -1.034 -0.996 -2.691) 3.050 17.877 ( 0.458 1.591 2.631) 3.109 18.464 ( -1.503 -4.623 -3.086) 5.758 18.736 ( 1.771 4.197 -2.015) 4.981 18.890 ( -1.167 -2.666 1.450) 3.251 18.926 ( 0.848 1.436 0.550) 1.756 19.007 ( -0.041 1.581 0.502) 1.660 ======================= Grid point 13 (9/125) ======================= q-point: (-0.56 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -8.434 -3.598 0.825) 9.207 1.215 ( 0.051 2.804 3.215) 4.266 1.291 ( 0.750 1.325 -2.097) 2.591 1.444 ( 1.370 -0.467 5.669) 5.851 1.728 ( 1.678 -0.091 1.715) 2.401 1.941 ( 2.876 -8.087 -1.273) 8.677 1.986 ( -0.017 -10.812 -7.773) 13.316 2.174 ( -1.843 0.007 -0.833) 2.022 2.315 ( 2.259 -8.315 6.984) 11.091 2.363 ( -4.026 11.125 -0.346) 11.837 2.571 ( 0.373 2.736 -0.536) 2.813 2.692 ( -2.769 2.281 0.877) 3.693 2.777 ( -1.116 2.196 -1.933) 3.132 2.893 ( 6.542 -2.644 -1.869) 7.300 3.032 ( -0.307 -0.626 2.022) 2.139 3.252 ( 0.068 -2.342 1.012) 2.552 3.288 ( 0.125 1.401 0.123) 1.412 3.433 ( -1.222 -0.476 0.272) 1.339 3.509 ( -0.475 -0.686 -0.860) 1.198 3.525 ( -1.435 0.867 -1.734) 2.412 3.587 ( 1.112 0.678 4.191) 4.389 3.751 ( 1.234 2.753 2.318) 3.805 3.882 ( -3.856 1.509 -0.578) 4.181 4.098 ( 4.535 -0.307 -3.485) 5.727 4.253 ( 2.502 -6.297 0.764) 6.819 4.394 ( -5.060 7.659 -1.853) 9.365 4.651 ( 2.446 3.811 -1.977) 4.941 5.459 ( -0.261 -0.116 2.364) 2.381 5.676 ( -1.491 -2.489 0.035) 2.902 5.900 ( 0.420 0.549 0.055) 0.693 10.791 ( -0.086 -1.358 0.563) 1.473 10.842 ( -1.229 0.806 0.714) 1.634 10.937 ( 0.428 -1.061 -2.156) 2.440 10.958 ( 0.915 0.953 2.090) 2.472 11.038 ( 0.544 -1.357 0.259) 1.485 11.176 ( -0.243 2.414 -0.305) 2.445 11.557 ( 0.330 -2.343 0.001) 2.366 11.849 ( -0.984 4.223 -0.168) 4.339 12.197 ( 2.730 1.686 -2.774) 4.242 12.429 ( -3.419 -2.398 1.331) 4.383 12.638 ( 0.690 -0.663 0.266) 0.994 12.962 ( 0.755 -1.220 -1.036) 1.770 15.498 ( -0.091 0.223 0.151) 0.284 15.530 ( -0.401 0.165 -0.077) 0.440 15.583 ( 0.366 -0.326 -0.583) 0.762 16.530 ( -0.183 -0.406 0.979) 1.075 16.558 ( 0.844 -0.429 -0.074) 0.950 16.580 ( -0.118 0.004 -0.470) 0.484 17.918 ( -1.770 0.633 1.597) 2.467 18.405 ( 1.473 -3.241 -1.039) 3.708 18.739 ( 1.867 4.308 -1.601) 4.961 18.892 ( -1.345 -2.943 1.573) 3.598 18.945 ( 0.137 1.611 0.303) 1.645 19.018 ( -0.899 0.653 0.599) 1.263 ======================= Grid point 14 (10/125) ======================= q-point: (-0.44 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -11.740 -4.729 -2.761) 12.954 1.179 ( -3.362 -3.162 -6.307) 7.816 1.369 ( -0.821 2.804 6.148) 6.806 1.533 ( -1.459 -6.187 4.200) 7.619 1.674 ( -1.606 -2.979 -2.287) 4.084 1.819 ( 3.830 -6.001 -6.365) 9.549 1.960 ( 4.597 -6.695 2.204) 8.415 2.186 ( 2.074 2.678 1.148) 3.577 2.321 ( -5.466 5.400 -1.422) 7.814 2.441 ( 0.591 6.235 3.826) 7.339 2.600 ( 0.775 5.829 -0.072) 5.881 2.702 ( 0.203 -3.018 0.871) 3.148 2.737 ( 1.497 -0.409 -2.694) 3.109 2.909 ( 1.536 -2.169 1.314) 2.964 3.038 ( 0.372 -4.310 0.495) 4.354 3.272 ( 0.392 -1.658 2.164) 2.754 3.298 ( -0.348 1.216 0.594) 1.397 3.413 ( -1.133 0.426 -0.942) 1.534 3.486 ( -0.398 -0.526 0.006) 0.660 3.520 ( -1.335 0.468 1.161) 1.830 3.686 ( 1.672 0.804 4.390) 4.766 3.769 ( -2.867 -0.611 2.155) 3.638 3.929 ( 1.497 5.703 2.982) 6.608 4.076 ( 5.349 -1.280 -3.154) 6.340 4.252 ( 3.359 -5.242 -0.962) 6.300 4.358 ( -3.965 7.660 -1.922) 8.837 4.639 ( 0.791 3.804 -2.635) 4.694 5.452 ( -5.025 -3.847 -0.064) 6.329 5.678 ( 1.306 0.524 1.211) 1.857 5.898 ( -0.359 -0.336 -0.351) 0.604 10.794 ( 0.178 -1.153 0.349) 1.218 10.841 ( -1.671 0.738 0.756) 1.977 10.908 ( -0.127 -0.853 -0.455) 0.975 11.014 ( 1.718 0.679 1.885) 2.640 11.071 ( 2.012 -0.829 2.200) 3.095 11.181 ( -0.164 2.194 -0.247) 2.213 11.550 ( 0.440 -1.668 0.087) 1.727 11.821 ( -3.177 1.385 -2.451) 4.245 12.198 ( 4.506 4.729 -2.274) 6.917 12.404 ( -3.117 -2.694 0.343) 4.134 12.605 ( -2.160 -2.493 -2.259) 3.998 12.969 ( 3.079 0.142 0.025) 3.083 15.499 ( -0.522 0.483 -0.029) 0.712 15.527 ( -0.106 0.169 -0.246) 0.317 15.577 ( 1.064 -0.285 -0.430) 1.182 16.528 ( -0.592 -1.127 -0.768) 1.487 16.543 ( -1.416 0.328 0.641) 1.589 16.615 ( 2.982 0.117 1.166) 3.204 17.902 ( -4.568 -0.783 -0.342) 4.648 18.428 ( 5.333 -1.768 1.620) 5.847 18.753 ( 1.802 4.596 -0.938) 5.026 18.894 ( -1.575 -3.104 1.603) 3.832 18.953 ( -1.090 1.879 0.103) 2.175 19.020 ( -1.692 -0.411 0.838) 1.932 ======================= Grid point 15 (11/125) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -15.990 -7.104 -0.708) 17.511 0.928 ( -7.419 -13.420 -12.505) 19.787 1.270 ( -11.718 -1.440 -10.527) 15.818 1.617 ( 3.014 4.421 6.357) 8.309 1.732 ( 2.095 -3.099 6.350) 7.370 1.738 ( 5.059 -2.774 -3.881) 6.954 2.025 ( 3.397 -4.308 4.215) 6.919 2.220 ( -2.230 6.368 -1.004) 6.821 2.307 ( -0.212 0.967 1.188) 1.546 2.520 ( -0.866 7.606 0.669) 7.685 2.615 ( 2.099 2.943 -1.948) 4.106 2.667 ( -1.109 0.105 0.232) 1.138 2.742 ( 3.865 -3.180 -0.762) 5.063 2.931 ( -0.781 -1.329 1.512) 2.160 3.041 ( 1.522 -5.069 1.840) 5.604 3.309 ( 0.281 0.267 1.972) 2.010 3.324 ( 1.560 0.304 1.351) 2.086 3.403 ( -1.136 0.019 0.889) 1.443 3.476 ( -1.767 -0.215 -0.194) 1.791 3.544 ( -1.086 0.072 2.268) 2.515 3.771 ( 2.201 -0.010 3.747) 4.345 3.798 ( -0.931 -0.808 2.388) 2.687 4.008 ( 2.232 3.715 1.181) 4.492 4.074 ( 4.302 -0.451 -0.698) 4.381 4.221 ( 4.005 -2.376 -3.627) 5.903 4.335 ( -2.518 5.431 -1.515) 6.175 4.627 ( -0.954 3.247 0.059) 3.385 5.345 ( -7.503 -5.029 -3.560) 9.709 5.733 ( 1.793 1.483 2.581) 3.475 5.880 ( -0.700 -0.807 -0.849) 1.364 10.802 ( 0.719 0.200 0.781) 1.081 10.857 ( -0.888 -0.250 2.050) 2.248 10.906 ( 0.452 -0.142 0.113) 0.487 11.049 ( 1.191 0.227 0.450) 1.293 11.109 ( 1.020 0.330 0.184) 1.088 11.179 ( 0.362 -0.397 -0.902) 1.050 11.562 ( 0.390 -0.380 1.739) 1.822 11.743 ( -3.010 0.318 -3.439) 4.581 12.231 ( 4.088 5.630 -0.938) 7.020 12.370 ( -2.233 -2.503 -0.237) 3.363 12.520 ( -3.252 -3.125 -2.998) 5.416 13.003 ( 3.768 0.648 0.214) 3.829 15.493 ( -0.656 0.346 -0.189) 0.765 15.516 ( -0.310 -0.214 -0.802) 0.886 15.590 ( 1.995 0.361 0.482) 2.083 16.508 ( -0.435 -0.976 -0.550) 1.202 16.541 ( -1.943 0.907 0.275) 2.162 16.655 ( 4.036 -0.257 0.079) 4.045 17.838 ( -5.106 -1.146 -1.570) 5.463 18.515 ( 7.134 -1.525 2.902) 7.852 18.781 ( 1.709 4.642 0.012) 4.946 18.893 ( -1.694 -2.954 1.419) 3.689 18.951 ( -2.477 2.688 0.154) 3.658 19.015 ( -2.888 -1.961 1.473) 3.789 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -18.485 -8.030 1.576) 20.215 0.541 ( -8.698 -20.115 -13.527) 25.753 0.907 ( -23.249 5.440 -14.416) 27.891 1.711 ( 9.010 0.989 -2.332) 9.360 1.790 ( 5.981 3.491 2.573) 7.387 1.852 ( 1.649 -4.214 7.650) 8.888 2.102 ( -1.488 -2.571 4.783) 5.630 2.194 ( -3.454 4.732 -1.640) 6.084 2.294 ( -4.088 -0.638 -2.218) 4.694 2.537 ( 4.004 -0.680 0.392) 4.080 2.649 ( 2.090 4.024 1.402) 4.747 2.680 ( 0.844 2.286 -1.179) 2.707 2.737 ( 2.924 -0.728 -0.793) 3.116 2.943 ( 1.476 -0.509 0.179) 1.571 3.066 ( -1.398 -3.625 2.734) 4.751 3.344 ( 2.146 0.186 0.829) 2.308 3.361 ( 1.238 0.343 1.253) 1.794 3.421 ( -1.702 -0.739 2.306) 2.960 3.452 ( -2.022 0.489 -0.672) 2.186 3.567 ( -1.916 -0.053 1.493) 2.430 3.798 ( -0.419 -0.305 -0.542) 0.751 3.860 ( 3.288 -0.382 2.895) 4.397 4.052 ( 3.622 -1.143 1.209) 3.985 4.102 ( 1.614 1.711 -0.374) 2.381 4.190 ( 5.445 -0.021 -3.030) 6.231 4.311 ( -1.988 3.034 -1.351) 3.871 4.669 ( -1.237 2.336 4.158) 4.927 5.175 ( -8.763 -3.888 -5.371) 10.989 5.796 ( 0.929 1.070 2.407) 2.794 5.853 ( -0.401 -0.801 -1.260) 1.546 10.839 ( 1.376 0.866 2.008) 2.584 10.887 ( -0.181 -0.408 1.561) 1.624 10.908 ( 2.422 0.303 -1.731) 2.992 11.057 ( -0.635 0.083 0.480) 0.800 11.090 ( 0.270 0.988 -2.988) 3.159 11.139 ( -0.450 -2.442 -2.974) 3.874 11.616 ( 0.351 0.132 3.868) 3.886 11.673 ( -1.389 0.750 -2.659) 3.092 12.276 ( 1.645 3.772 0.429) 4.137 12.342 ( -0.029 -1.448 -0.622) 1.576 12.432 ( -3.332 -2.514 -2.169) 4.704 13.038 ( 3.373 0.511 0.119) 3.414 15.487 ( -0.392 0.233 -0.110) 0.470 15.498 ( -0.331 -0.303 -0.715) 0.844 15.622 ( 2.022 0.443 0.797) 2.218 16.483 ( 0.440 -0.359 -2.424) 2.490 16.531 ( -1.874 0.770 -0.005) 2.026 16.674 ( 4.004 -0.348 -1.666) 4.350 17.761 ( -4.169 -0.721 -2.381) 4.855 18.618 ( 7.062 -1.232 2.864) 7.719 18.821 ( 2.282 2.652 0.471) 3.530 18.887 ( -1.582 -2.189 0.880) 2.841 18.944 ( -2.951 3.626 -0.483) 4.700 19.021 ( -5.294 -2.734 5.568) 8.155 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.172 ( -10.701 0.342 -0.502) 10.718 0.343 ( -20.668 0.060 -0.567) 20.676 0.528 ( -31.842 -0.152 0.706) 31.850 1.762 ( 8.583 -0.093 -0.076) 8.584 1.868 ( 7.809 0.493 -1.287) 7.930 1.960 ( 0.412 -0.623 3.027) 3.118 2.099 ( -3.689 0.230 -1.243) 3.899 2.185 ( -3.156 0.248 -1.866) 3.674 2.196 ( -5.292 -0.253 1.226) 5.438 2.591 ( 3.375 -0.190 1.432) 3.671 2.635 ( -1.880 0.139 -1.397) 2.346 2.737 ( 9.392 0.022 -0.564) 9.409 2.748 ( 1.284 0.070 0.492) 1.377 2.957 ( 1.535 -0.049 0.073) 1.538 3.058 ( -5.468 0.038 0.291) 5.476 3.375 ( 3.123 -2.000 0.014) 3.709 3.386 ( 0.412 2.236 0.443) 2.316 3.428 ( -1.634 1.533 -1.033) 2.468 3.430 ( -1.441 -1.789 0.590) 2.372 3.561 ( -2.218 -0.012 -0.001) 2.218 3.785 ( -0.125 0.002 -0.082) 0.150 3.910 ( 2.218 -0.008 0.051) 2.218 4.095 ( 2.594 0.226 -0.638) 2.680 4.103 ( 1.839 -0.289 0.497) 1.927 4.216 ( 5.892 0.101 0.302) 5.900 4.290 ( -1.513 -0.028 -0.226) 1.530 4.731 ( 0.267 -0.001 0.045) 0.271 5.023 ( -9.200 -0.003 -0.038) 9.200 5.827 ( 0.593 0.041 -1.337) 1.463 5.835 ( -0.364 -0.040 1.353) 1.402 10.871 ( 0.166 -0.017 0.237) 0.290 10.887 ( 1.274 0.072 0.774) 1.492 10.894 ( 0.798 -0.057 -1.255) 1.488 11.038 ( -0.411 -0.030 -0.764) 0.868 11.075 ( -1.024 0.223 -1.448) 1.787 11.081 ( -1.852 -0.189 2.602) 3.199 11.632 ( 0.614 -0.017 -1.862) 1.961 11.681 ( -0.109 0.012 1.725) 1.729 12.290 ( -0.648 -0.137 -0.178) 0.686 12.344 ( 1.940 0.323 -0.233) 1.980 12.380 ( -2.756 -0.185 0.372) 2.787 13.065 ( 2.405 -0.001 0.007) 2.405 15.485 ( -0.084 0.040 -0.092) 0.131 15.488 ( -0.316 -0.035 0.167) 0.360 15.647 ( 1.454 -0.000 0.038) 1.455 16.427 ( -0.312 -0.024 -0.620) 0.695 16.518 ( -1.223 0.028 -0.280) 1.255 16.670 ( 0.656 -0.008 0.894) 1.109 17.690 ( -4.042 -0.001 -0.035) 4.043 18.715 ( 5.381 0.649 2.591) 6.007 18.840 ( 3.236 -1.242 -1.841) 3.924 18.878 ( -1.394 -0.767 0.326) 1.624 18.909 ( -3.160 1.360 -1.666) 3.822 19.105 ( -0.385 0.003 0.538) 0.661 ======================= Grid point 19 (14/125) ======================= q-point: ( 0.11 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 5.489 -4.348 15.695) 17.186 0.954 ( -8.733 1.163 13.628) 16.228 1.324 ( -1.885 5.094 10.219) 11.573 1.482 ( 1.257 0.004 -11.144) 11.214 1.562 ( -2.098 4.748 -7.761) 9.337 1.954 ( 1.647 -12.899 5.651) 14.179 2.087 ( 3.306 -6.866 1.174) 7.710 2.251 ( 0.178 5.584 1.150) 5.704 2.278 ( 0.014 0.762 -0.276) 0.811 2.534 ( 0.289 3.798 -3.157) 4.947 2.633 ( 1.266 -1.646 -3.392) 3.977 2.662 ( 2.455 1.857 0.712) 3.160 2.722 ( -3.653 1.156 1.216) 4.019 2.885 ( -2.021 -4.871 -2.334) 5.767 2.979 ( -0.299 1.810 -0.532) 1.910 3.273 ( 0.213 -0.282 -2.194) 2.222 3.303 ( -0.194 1.289 -2.298) 2.642 3.418 ( 0.444 -1.439 2.122) 2.602 3.467 ( -0.192 0.884 1.266) 1.556 3.519 ( 0.340 0.087 -0.471) 0.587 3.700 ( -0.712 0.794 -5.315) 5.421 3.723 ( 0.167 -0.407 -4.557) 4.578 4.058 ( 3.028 -2.029 -2.026) 4.170 4.124 ( -0.872 -0.955 -0.215) 1.311 4.286 ( -1.624 -7.001 0.651) 7.216 4.397 ( 5.662 5.567 1.762) 8.134 4.578 ( -3.731 5.909 0.284) 6.994 5.305 ( -1.982 1.690 4.472) 5.175 5.755 ( 1.678 -2.976 -0.813) 3.512 5.857 ( -1.187 2.021 0.231) 2.355 10.800 ( 0.061 -1.064 -0.890) 1.389 10.822 ( 0.026 0.897 -0.040) 0.898 10.888 ( -0.345 0.265 -1.007) 1.097 11.074 ( 1.115 -1.761 -2.221) 3.045 11.117 ( 0.433 -2.292 -1.532) 2.790 11.176 ( -0.267 1.994 -0.097) 2.014 11.569 ( 0.530 -3.153 0.314) 3.213 11.727 ( -1.427 5.970 2.163) 6.509 12.259 ( -0.534 0.650 -1.316) 1.562 12.421 ( 3.219 -1.811 2.741) 4.599 12.509 ( -2.958 0.806 3.591) 4.722 13.040 ( 0.856 -1.918 -1.227) 2.433 15.498 ( 0.207 -0.225 0.333) 0.453 15.519 ( -0.325 0.578 0.643) 0.924 15.610 ( 0.613 -0.994 -0.862) 1.452 16.501 ( -0.618 -0.327 0.537) 0.882 16.518 ( -0.186 1.039 0.034) 1.056 16.685 ( 0.971 -1.761 -2.596) 3.284 17.821 ( -0.587 1.413 2.381) 2.831 18.555 ( 2.080 -5.958 -3.172) 7.063 18.744 ( -1.539 4.785 -2.981) 5.844 18.890 ( 0.831 -1.468 1.222) 2.084 18.909 ( -1.228 1.293 0.610) 1.885 18.976 ( -0.372 2.007 0.957) 2.254 ======================= Grid point 20 (15/125) ======================= q-point: ( 0.22 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.226 -4.903 13.372) 14.245 1.135 ( -0.003 1.118 9.764) 9.828 1.297 ( -2.382 -0.858 -5.565) 6.114 1.372 ( 2.619 2.304 -5.786) 6.757 1.581 ( -0.229 7.809 4.830) 9.184 1.982 ( -0.187 -12.912 2.771) 13.207 2.095 ( 2.854 -9.413 2.796) 10.226 2.199 ( -1.327 -3.111 -3.784) 5.075 2.291 ( 0.992 -2.429 -2.641) 3.723 2.469 ( -6.219 4.950 -2.323) 8.280 2.631 ( 1.277 3.787 -0.369) 4.014 2.699 ( 3.634 0.702 -0.291) 3.713 2.727 ( -0.351 0.259 0.529) 0.686 2.827 ( -1.102 -1.476 0.112) 1.845 2.994 ( 0.398 1.866 0.840) 2.085 3.248 ( 0.393 -1.066 -0.523) 1.251 3.282 ( -0.171 1.725 -0.717) 1.876 3.447 ( -1.028 -1.440 2.044) 2.703 3.499 ( 0.703 -0.152 1.774) 1.915 3.522 ( 0.058 0.152 0.786) 0.802 3.631 ( 0.073 -0.661 -5.370) 5.411 3.656 ( 0.012 4.233 -0.392) 4.251 4.019 ( 0.733 -1.278 -2.885) 3.240 4.085 ( -0.733 0.281 -3.478) 3.566 4.251 ( -0.585 -6.860 0.408) 6.897 4.477 ( 1.353 6.840 0.131) 6.974 4.581 ( -0.933 6.473 -1.001) 6.616 5.377 ( 0.177 1.268 3.961) 4.163 5.735 ( -0.295 -4.618 -0.055) 4.628 5.871 ( 0.186 2.420 0.446) 2.468 10.790 ( 0.152 -1.558 0.344) 1.603 10.836 ( -0.509 1.026 1.216) 1.671 10.887 ( 0.517 0.807 0.612) 1.137 11.016 ( -0.019 -1.406 -3.677) 3.937 11.074 ( -0.169 -2.773 -1.830) 3.326 11.177 ( -0.063 3.014 -0.923) 3.152 11.563 ( 0.074 -4.182 0.659) 4.234 11.795 ( 0.204 8.443 1.866) 8.649 12.221 ( -0.453 -0.097 -2.653) 2.693 12.471 ( 0.373 -2.588 2.232) 3.438 12.561 ( -0.101 0.753 3.442) 3.525 13.005 ( 0.007 -2.526 -1.948) 3.190 15.500 ( -0.219 -0.436 0.184) 0.522 15.531 ( 0.130 0.828 0.281) 0.884 15.594 ( 0.086 -0.759 -0.752) 1.072 16.508 ( -0.268 -0.590 1.019) 1.208 16.528 ( 0.144 0.658 0.690) 0.964 16.635 ( 0.137 -1.268 -2.756) 3.036 17.874 ( -0.011 1.886 3.167) 3.686 18.478 ( -0.049 -6.657 -3.196) 7.385 18.713 ( 0.443 5.543 -2.829) 6.239 18.909 ( -0.422 -3.580 1.862) 4.057 18.919 ( -0.401 2.779 0.497) 2.851 19.004 ( 0.422 2.042 0.817) 2.240 ======================= Grid point 21 (16/125) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -4.065 -2.915 -0.043) 5.002 1.214 ( 0.503 3.882 1.834) 4.323 1.311 ( -4.499 0.905 4.658) 6.539 1.390 ( 4.965 -0.614 6.434) 8.150 1.688 ( 1.928 2.224 3.591) 4.643 1.912 ( 0.144 -12.660 -3.511) 13.138 2.011 ( -2.548 -12.752 -6.628) 14.596 2.212 ( 0.285 -2.236 2.113) 3.089 2.234 ( 4.262 -7.499 2.965) 9.121 2.424 ( -3.104 4.109 -0.676) 5.194 2.617 ( -4.687 6.513 -2.235) 8.330 2.720 ( 4.543 0.245 -1.560) 4.810 2.753 ( 1.771 1.149 1.441) 2.556 2.825 ( -1.654 1.994 -0.652) 2.671 3.024 ( 0.913 0.621 0.952) 1.458 3.251 ( 0.257 -2.394 1.340) 2.756 3.289 ( -0.368 1.087 0.807) 1.403 3.458 ( -1.729 -1.107 1.090) 2.324 3.512 ( 0.058 -0.838 -1.598) 1.806 3.546 ( -0.868 0.476 -1.104) 1.483 3.568 ( 1.269 0.960 2.847) 3.261 3.724 ( 1.339 4.785 3.943) 6.343 3.965 ( -4.333 1.650 -1.821) 4.982 4.011 ( 4.599 -1.288 -5.593) 7.355 4.231 ( 0.441 -5.389 0.557) 5.435 4.478 ( -4.783 7.949 -1.987) 9.488 4.593 ( 4.069 6.331 -2.814) 8.035 5.455 ( 0.341 0.738 4.171) 4.249 5.704 ( -1.264 -5.137 -0.201) 5.294 5.892 ( 0.414 1.684 0.323) 1.764 10.794 ( -0.221 -1.841 0.936) 2.077 10.863 ( -1.011 0.984 1.744) 2.243 10.910 ( 1.728 -0.011 -0.685) 1.859 10.960 ( -0.398 -0.267 -0.342) 0.589 11.038 ( -0.382 -2.052 -0.402) 2.126 11.175 ( 0.380 3.346 -1.107) 3.545 11.553 ( 0.145 -3.859 0.360) 3.879 11.861 ( -0.465 8.578 0.864) 8.634 12.162 ( 1.187 0.245 -4.249) 4.419 12.480 ( -1.948 -3.427 1.258) 4.138 12.620 ( 0.932 0.232 2.185) 2.387 12.955 ( 0.200 -2.630 -2.260) 3.474 15.500 ( -0.177 0.003 0.190) 0.260 15.535 ( -0.032 0.620 -0.210) 0.655 15.579 ( 0.071 -0.661 -0.692) 0.960 16.527 ( 0.578 -0.978 1.308) 1.732 16.545 ( 0.089 0.066 0.567) 0.578 16.589 ( -0.365 -0.469 -1.556) 1.665 17.941 ( -0.800 1.745 3.578) 4.061 18.392 ( -0.015 -5.953 -2.747) 6.556 18.704 ( 2.003 5.317 -2.388) 6.164 18.917 ( -1.464 -3.262 1.985) 4.089 18.942 ( 0.236 2.632 0.527) 2.695 19.028 ( -0.167 1.387 0.880) 1.651 ======================= Grid point 22 (17/125) ======================= q-point: (-0.56 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -7.276 -2.542 -0.915) 7.761 1.214 ( -1.567 1.757 -3.087) 3.882 1.413 ( -5.671 1.035 10.244) 11.755 1.542 ( 1.389 -3.539 7.023) 7.986 1.648 ( 2.394 -13.630 -11.420) 17.942 1.789 ( 1.455 -4.408 0.612) 4.682 1.914 ( 0.311 -9.544 2.302) 9.823 2.177 ( -1.217 1.712 -0.607) 2.187 2.369 ( 3.876 -6.035 6.059) 9.389 2.438 ( -0.325 5.882 1.191) 6.010 2.561 ( -1.381 8.100 -4.110) 9.187 2.714 ( 2.060 -0.444 -2.274) 3.100 2.751 ( -4.362 4.857 -2.896) 7.142 2.850 ( 4.821 -1.427 3.007) 5.859 3.026 ( 0.464 -2.578 -1.094) 2.839 3.263 ( 0.521 -2.736 0.888) 2.924 3.312 ( -1.186 0.409 2.170) 2.507 3.438 ( -1.525 0.570 -1.185) 2.014 3.487 ( 0.132 -0.941 0.494) 1.071 3.550 ( -1.910 0.820 1.445) 2.531 3.654 ( 2.147 1.259 3.724) 4.479 3.806 ( -1.337 0.742 2.534) 2.960 3.937 ( -2.246 4.346 1.985) 5.280 3.971 ( 6.774 -1.274 -3.959) 7.949 4.217 ( 1.153 -3.826 -0.818) 4.079 4.427 ( -4.420 7.936 -3.371) 9.689 4.605 ( 3.103 6.788 -2.584) 7.898 5.517 ( -2.605 -2.015 3.037) 4.479 5.668 ( 0.078 -3.265 -0.028) 3.266 5.900 ( 0.012 0.839 -0.319) 0.897 10.796 ( -0.394 -1.564 0.469) 1.680 10.871 ( -1.853 0.502 0.180) 1.928 10.898 ( 1.419 -0.174 -0.648) 1.570 10.999 ( 0.221 -0.072 3.068) 3.077 11.046 ( 0.960 -1.216 1.931) 2.476 11.175 ( 0.854 2.392 -1.204) 2.811 11.545 ( 0.164 -2.687 0.558) 2.749 11.876 ( -3.597 5.366 -1.663) 6.670 12.119 ( 4.760 4.003 -3.855) 7.317 12.455 ( -2.460 -4.180 0.095) 4.852 12.636 ( -1.720 -1.168 -0.072) 2.080 12.921 ( 2.498 -1.534 -1.404) 3.251 15.505 ( -0.149 0.663 0.300) 0.743 15.530 ( -0.145 0.299 -0.497) 0.598 15.564 ( 0.293 -0.740 -0.689) 1.053 16.535 ( -0.161 -1.166 -0.846) 1.449 16.551 ( 0.935 -1.340 1.249) 2.056 16.584 ( -0.021 1.109 0.494) 1.214 17.981 ( -4.610 0.450 2.331) 5.186 18.348 ( 3.936 -4.046 -0.835) 5.706 18.712 ( 2.815 4.797 -1.693) 5.814 18.924 ( -1.863 -3.258 2.042) 4.272 18.963 ( -0.183 2.941 0.318) 2.963 19.045 ( -1.076 0.604 1.165) 1.697 ======================= Grid point 23 (18/125) ======================= q-point: (-0.44 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -13.030 -4.161 1.039) 13.718 1.049 ( -7.497 -12.831 -10.343) 18.106 1.397 ( -1.923 -7.081 -5.093) 8.932 1.548 ( 1.974 1.478 3.459) 4.248 1.672 ( 1.510 -3.663 5.573) 6.838 1.764 ( -3.552 -1.526 -0.026) 3.867 1.976 ( 2.504 -5.151 6.805) 8.894 2.202 ( 2.264 2.189 1.268) 3.395 2.381 ( -6.768 4.758 -1.333) 8.380 2.511 ( 2.101 5.670 2.508) 6.546 2.568 ( 6.592 3.623 -3.008) 8.101 2.666 ( -0.625 -2.170 -1.915) 2.961 2.701 ( -0.843 2.471 -1.721) 3.127 2.945 ( 3.758 -0.810 3.752) 5.372 2.978 ( 1.494 -4.462 -2.723) 5.437 3.268 ( 2.631 -2.438 -0.184) 3.592 3.347 ( -2.101 0.956 2.940) 3.737 3.423 ( -1.507 0.780 0.598) 1.799 3.498 ( -0.650 -0.829 0.851) 1.354 3.570 ( -1.976 0.579 2.440) 3.193 3.727 ( 2.916 0.035 2.124) 3.608 3.821 ( -1.566 -2.389 1.879) 3.419 3.960 ( 4.477 -0.124 -1.915) 4.871 4.018 ( 1.368 4.163 3.366) 5.525 4.176 ( 1.632 -1.312 -3.693) 4.246 4.376 ( -2.341 5.977 -2.922) 7.053 4.628 ( 0.538 6.544 0.155) 6.568 5.463 ( -6.550 -5.921 -1.954) 9.043 5.704 ( 1.854 0.408 3.211) 3.730 5.887 ( -0.270 0.194 -1.270) 1.313 10.796 ( 0.071 -0.199 0.496) 0.539 10.870 ( -0.601 -0.176 0.866) 1.069 10.897 ( 0.638 0.096 -0.551) 0.848 11.047 ( -0.938 -0.487 2.952) 3.135 11.089 ( 1.404 -0.416 1.347) 1.990 11.165 ( 1.308 -0.248 -1.606) 2.086 11.558 ( 0.194 -1.231 1.968) 2.330 11.800 ( -4.075 2.288 -4.634) 6.582 12.150 ( 5.555 7.586 -1.105) 9.467 12.407 ( -1.843 -4.821 -1.025) 5.262 12.584 ( -4.667 -2.219 -1.426) 5.361 12.933 ( 4.636 -0.229 -0.426) 4.661 15.508 ( -0.969 0.627 0.089) 1.158 15.519 ( -0.034 -0.047 -0.856) 0.858 15.561 ( 1.321 -0.200 0.169) 1.347 16.515 ( -0.259 -1.157 -0.866) 1.469 16.567 ( -0.397 -0.735 0.761) 1.130 16.600 ( 1.730 0.700 0.054) 1.867 17.946 ( -7.862 -0.950 0.051) 7.920 18.393 ( 7.638 -1.868 1.659) 8.036 18.736 ( 3.379 3.717 -0.884) 5.101 18.926 ( -2.178 -3.139 1.808) 4.226 18.976 ( -0.861 3.473 0.014) 3.578 19.058 ( -1.999 -0.315 1.780) 2.695 ======================= Grid point 24 (19/125) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -9.152 -15.633 -13.909) 22.838 0.794 ( -16.332 -6.952 2.537) 17.930 1.253 ( -16.933 1.348 -3.828) 17.412 1.572 ( 6.489 -0.925 -2.751) 7.108 1.706 ( 2.673 0.330 0.179) 2.699 1.838 ( 0.054 -1.616 8.356) 8.511 2.107 ( 1.104 -1.760 6.878) 7.185 2.237 ( -0.490 2.365 -0.290) 2.433 2.329 ( -1.503 1.122 -2.077) 2.799 2.514 ( -1.028 3.026 -3.448) 4.701 2.596 ( 2.311 3.311 0.347) 4.052 2.668 ( 4.563 -1.491 -0.201) 4.805 2.697 ( 0.360 3.170 -0.297) 3.205 2.920 ( 1.393 -2.310 -2.371) 3.591 3.038 ( 4.269 -2.432 3.382) 5.965 3.282 ( 4.125 -2.029 -0.194) 4.601 3.381 ( -2.342 2.142 2.072) 3.790 3.439 ( -0.659 -0.792 2.033) 2.279 3.488 ( -2.009 0.206 -0.459) 2.072 3.601 ( -2.062 0.020 2.326) 3.108 3.792 ( 4.528 -1.121 2.414) 5.252 3.808 ( -0.848 -1.389 -1.461) 2.187 3.984 ( 4.547 -1.537 1.044) 4.912 4.081 ( 0.722 2.249 0.019) 2.362 4.126 ( 2.422 1.593 -2.663) 3.936 4.342 ( -1.575 2.941 -1.745) 3.765 4.683 ( -0.672 4.760 2.841) 5.584 5.322 ( -8.516 -4.862 -3.574) 10.437 5.781 ( 1.033 0.720 3.462) 3.683 5.856 ( -0.038 -0.258 -2.107) 2.123 10.819 ( 0.958 0.797 1.508) 1.956 10.881 ( 0.682 -0.243 -0.146) 0.739 10.888 ( 0.385 -0.078 -0.722) 0.822 11.082 ( 0.581 -0.312 -2.077) 2.179 11.084 ( -2.240 -0.335 2.577) 3.431 11.142 ( 0.038 -1.484 -1.427) 2.059 11.605 ( 0.822 -1.542 3.318) 3.750 11.703 ( -2.274 2.746 -4.189) 5.501 12.226 ( 4.016 7.434 0.918) 8.499 12.347 ( -0.261 -5.365 -2.050) 5.750 12.508 ( -5.902 -1.784 -0.846) 6.224 12.969 ( 5.001 0.179 -0.099) 5.006 15.500 ( -1.016 0.150 -0.275) 1.063 15.502 ( -0.272 -0.140 -0.623) 0.694 15.587 ( 2.012 0.367 0.909) 2.238 16.481 ( 0.014 -0.953 -2.528) 2.702 16.562 ( -1.616 0.273 -0.179) 1.649 16.624 ( 2.160 -0.103 0.669) 2.264 17.865 ( -8.222 -0.902 -0.917) 8.321 18.493 ( 8.267 -0.241 2.595) 8.668 18.766 ( 4.036 1.144 -0.725) 4.257 18.921 ( -2.343 -2.515 1.283) 3.669 18.979 ( -1.545 3.460 -0.618) 3.839 19.078 ( -2.093 -0.553 3.003) 3.702 ======================= Grid point 25 (20/125) ======================= q-point: (-0.22 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( -11.145 -0.257 -0.587) 11.163 0.663 ( -17.992 1.358 -1.454) 18.101 1.026 ( -28.881 -0.773 2.045) 28.964 1.610 ( 9.586 0.184 -0.336) 9.593 1.742 ( 6.802 0.045 -1.187) 6.905 1.957 ( -0.193 -1.101 4.713) 4.843 2.148 ( -2.293 0.451 -1.243) 2.647 2.247 ( -3.144 0.292 2.004) 3.739 2.248 ( -1.064 0.143 -4.754) 4.873 2.529 ( 3.636 -1.090 1.901) 4.245 2.600 ( 5.779 -0.094 -2.564) 6.323 2.682 ( -2.670 1.394 -0.921) 3.150 2.715 ( 2.868 0.186 0.892) 3.009 2.914 ( 3.613 -0.093 -0.105) 3.616 3.100 ( 0.515 -0.057 1.662) 1.740 3.308 ( 4.659 -1.718 0.030) 4.966 3.395 ( -1.466 2.531 -0.075) 2.926 3.453 ( -1.647 -1.308 0.366) 2.135 3.462 ( -1.906 0.321 -0.393) 1.972 3.605 ( -2.933 -0.154 0.399) 2.964 3.772 ( 1.966 0.095 -1.656) 2.572 3.857 ( 3.936 -0.171 0.587) 3.983 4.045 ( 3.416 -0.728 0.732) 3.569 4.061 ( 2.389 0.259 -0.975) 2.594 4.145 ( 2.486 0.704 0.695) 2.676 4.318 ( -1.616 -0.123 -0.145) 1.627 4.729 ( -0.209 0.007 0.233) 0.313 5.190 ( -10.263 -0.047 -0.092) 10.263 5.815 ( 0.836 0.241 -2.568) 2.711 5.841 ( -0.168 -0.223 2.491) 2.507 10.855 ( 1.696 -0.142 -0.028) 1.702 10.873 ( 0.168 0.349 0.462) 0.603 10.884 ( 0.522 -0.198 -0.373) 0.671 11.040 ( 0.085 -0.177 -1.278) 1.293 11.096 ( -1.409 0.457 -2.317) 2.750 11.122 ( -2.888 -0.273 3.762) 4.751 11.619 ( 0.823 -0.174 -2.385) 2.529 11.686 ( -0.534 0.174 2.336) 2.402 12.288 ( 1.765 -5.037 -2.279) 5.804 12.305 ( 1.781 5.473 1.494) 5.946 12.451 ( -5.699 -0.462 0.565) 5.745 13.008 ( 4.429 -0.004 0.022) 4.430 15.488 ( -0.153 -0.062 -0.374) 0.408 15.496 ( -0.705 0.091 0.270) 0.761 15.618 ( 1.957 -0.002 0.251) 1.973 16.433 ( -0.464 -0.149 -0.999) 1.112 16.542 ( -1.526 0.207 -0.676) 1.682 16.656 ( 0.939 -0.078 1.680) 1.926 17.786 ( -7.492 -0.029 -0.070) 7.493 18.609 ( 7.673 1.912 2.695) 8.354 18.773 ( 4.531 -2.665 -2.538) 5.837 18.910 ( -2.335 -1.356 0.769) 2.808 18.958 ( -2.592 2.174 -1.460) 3.685 19.111 ( -0.249 -0.028 0.465) 0.529 ======================= Grid point 26 (21/125) ======================= q-point: (-0.11 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -19.138 9.414 -3.857) 21.674 0.525 ( -6.338 19.144 15.956) 25.715 0.929 ( -25.488 -5.635 14.659) 29.937 1.699 ( 8.635 -0.933 0.464) 8.698 1.767 ( 7.508 0.854 -2.102) 7.843 1.921 ( -1.897 -2.716 -6.692) 7.467 2.111 ( -2.948 2.682 -2.366) 4.635 2.159 ( -1.082 -2.394 0.262) 2.641 2.280 ( -2.479 1.287 2.336) 3.641 2.547 ( 6.873 -1.484 -3.246) 7.745 2.634 ( 1.742 -2.129 0.792) 2.862 2.651 ( 2.073 0.336 -1.175) 2.406 2.756 ( 0.966 -0.509 1.937) 2.223 2.946 ( 1.876 -0.095 0.441) 1.930 3.087 ( -4.049 2.589 -2.189) 5.281 3.331 ( 3.425 -1.652 -0.706) 3.867 3.382 ( 0.302 0.640 -1.415) 1.582 3.415 ( -1.831 1.311 -2.464) 3.338 3.449 ( -1.760 -0.715 0.745) 2.041 3.571 ( -2.528 -0.191 -1.210) 2.809 3.787 ( 1.684 0.933 0.273) 1.944 3.863 ( 2.738 0.119 -2.926) 4.009 4.030 ( 4.358 1.345 -2.566) 5.233 4.110 ( 1.501 -1.662 1.562) 2.731 4.203 ( 4.235 0.192 2.602) 4.974 4.313 ( -2.031 -3.469 2.244) 4.604 4.669 ( -1.354 -2.363 -4.537) 5.292 5.175 ( -8.767 3.891 5.535) 11.074 5.782 ( 2.103 -0.063 -2.467) 3.242 5.866 ( -1.384 -0.131 1.183) 1.825 10.841 ( 1.355 -1.111 -1.965) 2.632 10.883 ( -0.046 0.752 -1.596) 1.765 10.910 ( 2.144 -0.442 1.788) 2.826 11.046 ( 0.854 0.571 1.111) 1.513 11.079 ( 0.138 0.191 1.587) 1.604 11.162 ( -1.742 0.540 2.495) 3.090 11.587 ( 1.380 0.951 -2.231) 2.790 11.703 ( -2.750 -1.949 1.569) 3.718 12.260 ( 2.990 -2.642 -0.996) 4.112 12.342 ( -0.302 1.644 0.503) 1.745 12.442 ( -3.940 1.448 2.550) 4.911 13.039 ( 3.343 -0.532 -0.106) 3.387 15.484 ( 0.038 -0.021 0.019) 0.047 15.500 ( -0.518 0.106 0.681) 0.863 15.624 ( 1.665 -0.579 -0.720) 1.904 16.472 ( 1.638 0.883 3.031) 3.557 16.519 ( -1.174 0.208 -0.678) 1.372 16.698 ( 2.078 -1.189 1.790) 2.989 17.759 ( -4.068 0.791 2.337) 4.757 18.713 ( 2.305 -7.298 -4.113) 8.689 18.721 ( 7.149 5.407 0.157) 8.965 18.899 ( -2.132 0.111 0.393) 2.171 18.913 ( -3.069 1.708 -1.690) 3.898 19.045 ( -4.695 0.022 -4.024) 6.183 ======================= Grid point 28 (22/125) ======================= q-point: ( 0.11 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 5.770 -3.096 11.790) 13.486 1.194 ( -3.513 1.559 3.204) 5.004 1.318 ( 1.593 1.776 -2.223) 3.260 1.376 ( -4.595 -0.476 -4.141) 6.204 1.618 ( -4.246 5.459 4.778) 8.406 1.995 ( -0.802 -10.357 6.024) 12.008 2.032 ( 3.375 -7.880 0.538) 8.589 2.238 ( 0.700 -4.027 -2.370) 4.724 2.246 ( 0.426 0.131 -3.903) 3.928 2.505 ( 9.557 9.585 -1.073) 13.578 2.561 ( -2.184 -0.882 -3.483) 4.205 2.653 ( -1.076 -2.285 -0.572) 2.590 2.775 ( -0.217 2.321 1.278) 2.659 2.898 ( -6.793 -2.273 1.631) 7.347 2.980 ( 0.781 1.773 0.131) 1.941 3.245 ( -0.237 -1.229 -0.535) 1.361 3.286 ( -0.269 1.406 -0.543) 1.531 3.447 ( 1.595 -0.082 2.286) 2.789 3.491 ( -0.391 -0.548 0.990) 1.197 3.517 ( 0.455 0.232 1.159) 1.267 3.622 ( 0.827 -0.793 -5.681) 5.796 3.680 ( -2.697 3.670 -0.000) 4.554 3.960 ( 4.748 -1.600 -3.986) 6.403 4.124 ( -2.154 0.232 -1.347) 2.551 4.272 ( -1.913 -7.284 -0.019) 7.531 4.402 ( 5.647 7.150 0.881) 9.154 4.633 ( -3.317 4.613 -0.689) 5.723 5.394 ( -2.214 1.284 3.150) 4.059 5.713 ( 2.518 -3.078 -0.370) 3.994 5.883 ( -1.253 1.339 0.480) 1.896 10.789 ( -0.063 -1.240 0.227) 1.262 10.834 ( 0.606 1.184 0.794) 1.549 10.896 ( -1.499 0.346 0.973) 1.820 11.008 ( 0.976 -1.045 -3.150) 3.460 11.070 ( 0.770 -2.293 -1.730) 2.974 11.175 ( 0.219 2.341 -0.954) 2.538 11.562 ( -0.023 -2.840 0.599) 2.903 11.804 ( -1.266 5.729 1.863) 6.155 12.234 ( -0.739 0.836 -2.606) 2.835 12.429 ( 3.295 -2.536 2.418) 4.810 12.595 ( -2.790 0.705 2.849) 4.049 12.997 ( 0.908 -2.070 -1.614) 2.777 15.500 ( 0.250 0.062 0.139) 0.292 15.530 ( 0.039 0.259 0.065) 0.269 15.591 ( 0.195 -0.631 -0.354) 0.750 16.520 ( -0.842 -0.437 0.460) 1.054 16.529 ( -0.413 0.921 1.085) 1.482 16.624 ( 1.064 -1.383 -2.475) 3.029 17.878 ( -0.466 1.629 2.570) 3.078 18.463 ( 1.671 -4.813 -2.439) 5.648 18.730 ( -2.120 3.616 -2.693) 4.982 18.897 ( 1.387 -1.873 1.563) 2.806 18.933 ( -0.692 1.996 0.301) 2.134 19.000 ( -0.144 1.003 0.698) 1.231 ======================= Grid point 29 (23/125) ======================= q-point: ( 0.22 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 5.108 -3.641 -0.459) 6.290 1.199 ( 0.817 2.595 2.844) 3.936 1.315 ( 2.648 1.466 0.262) 3.038 1.411 ( -5.125 0.928 10.191) 11.445 1.688 ( -2.000 1.921 3.821) 4.721 1.949 ( -4.666 -15.044 -4.330) 16.336 2.048 ( -1.127 -10.359 -1.844) 10.582 2.116 ( 4.524 -4.137 2.635) 6.673 2.239 ( 1.434 -1.393 -1.049) 2.258 2.467 ( -2.626 -0.043 -3.708) 4.543 2.563 ( 9.782 -1.403 -3.082) 10.352 2.670 ( -1.808 6.846 0.471) 7.096 2.805 ( -1.904 4.315 1.094) 4.841 2.871 ( -4.926 0.446 1.293) 5.112 3.012 ( 0.432 0.897 1.253) 1.601 3.244 ( 0.434 -2.429 1.145) 2.720 3.295 ( -0.197 1.070 1.172) 1.599 3.483 ( -1.199 -1.547 0.629) 2.056 3.509 ( 0.631 -0.621 0.113) 0.893 3.525 ( 2.791 0.858 -2.367) 3.759 3.568 ( -0.998 0.815 2.554) 2.861 3.721 ( -1.153 4.841 3.920) 6.335 3.913 ( 4.780 -1.407 -4.927) 7.008 4.057 ( -4.361 1.414 -3.017) 5.488 4.233 ( -0.679 -5.667 0.289) 5.715 4.485 ( 4.539 8.545 -0.411) 9.685 4.586 ( -3.865 5.931 -4.055) 8.158 5.455 ( -0.302 0.745 4.359) 4.433 5.702 ( 1.413 -5.244 -0.610) 5.465 5.893 ( -0.564 1.764 0.568) 1.937 10.797 ( -0.056 -1.840 1.318) 2.264 10.857 ( 1.528 0.694 0.069) 1.679 10.911 ( -1.665 0.241 1.405) 2.192 10.963 ( 0.106 -0.185 -1.082) 1.103 11.044 ( -0.248 -2.078 -0.129) 2.097 11.167 ( 0.393 3.217 -1.591) 3.610 11.554 ( -0.206 -3.776 0.440) 3.807 11.863 ( 0.190 8.793 1.356) 8.899 12.162 ( -1.128 0.133 -4.862) 4.993 12.473 ( 2.444 -3.719 1.281) 4.631 12.625 ( -1.333 0.475 2.387) 2.775 12.955 ( -0.194 -2.642 -2.262) 3.484 15.502 ( 0.025 -0.044 0.054) 0.074 15.531 ( 0.439 0.456 -0.388) 0.742 15.581 ( -0.299 -0.465 -0.394) 0.679 16.522 ( -0.026 -1.034 0.484) 1.142 16.550 ( -0.574 0.004 1.095) 1.236 16.589 ( 0.269 -0.333 -1.232) 1.304 17.940 ( 0.912 1.670 3.461) 3.949 18.402 ( -0.853 -5.843 -2.177) 6.293 18.689 ( -0.506 4.842 -2.790) 5.611 18.926 ( 0.608 -2.670 1.981) 3.380 18.944 ( -0.519 2.439 0.371) 2.521 19.023 ( 0.581 1.417 0.961) 1.808 ======================= Grid point 30 (24/125) ======================= q-point: ( 0.33 -0.67 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 1.578 -1.404 -1.825) 2.791 1.231 ( -0.122 5.293 -1.064) 5.400 1.461 ( 6.814 -3.097 8.607) 11.406 1.554 ( -8.381 -0.027 11.316) 14.082 1.644 ( -2.390 -17.660 -12.915) 22.009 1.762 ( 1.353 -3.293 3.318) 4.867 1.962 ( -5.750 -10.454 1.670) 12.048 2.208 ( -1.243 0.260 -1.045) 1.645 2.255 ( 6.785 -2.960 5.894) 9.463 2.417 ( 2.111 -0.195 -1.295) 2.484 2.588 ( 8.639 -2.073 -2.730) 9.294 2.658 ( -3.485 8.473 -2.323) 9.452 2.814 ( -2.692 6.222 -1.075) 6.864 2.844 ( -4.127 -0.063 -0.423) 4.150 3.025 ( -0.437 0.050 -0.173) 0.473 3.254 ( 0.719 -3.738 0.483) 3.837 3.331 ( -0.905 0.116 2.987) 3.123 3.442 ( 1.076 0.542 -2.517) 2.791 3.493 ( -0.835 -1.281 0.989) 1.821 3.579 ( -1.311 1.029 2.490) 2.996 3.620 ( 1.526 1.587 2.860) 3.609 3.817 ( -0.306 2.352 4.007) 4.656 3.862 ( 5.614 -1.813 -3.552) 6.886 3.997 ( -4.055 3.033 -0.381) 5.078 4.208 ( 0.031 -3.587 -0.763) 3.668 4.496 ( -3.126 6.700 -6.068) 9.565 4.549 ( 2.785 9.325 -0.217) 9.734 5.540 ( -0.468 0.125 5.087) 5.110 5.663 ( 0.933 -6.429 -1.697) 6.715 5.903 ( -0.405 1.592 -0.091) 1.646 10.804 ( -0.523 -1.922 0.640) 2.092 10.865 ( 1.992 0.078 -0.748) 2.129 10.904 ( -1.799 0.838 -0.025) 1.985 10.994 ( 0.552 -0.588 3.494) 3.586 11.046 ( -0.987 -1.445 1.947) 2.618 11.158 ( 1.050 2.415 -1.816) 3.199 11.545 ( -0.087 -2.914 0.679) 2.993 11.927 ( -1.751 9.744 0.876) 9.939 12.059 ( 1.651 0.641 -6.565) 6.800 12.472 ( 0.453 -5.111 -0.377) 5.145 12.657 ( -0.625 0.431 1.628) 1.797 12.898 ( 0.032 -2.667 -2.436) 3.612 15.504 ( 0.190 0.308 0.142) 0.389 15.526 ( 0.469 0.331 -0.746) 0.941 15.569 ( -0.632 -0.489 -0.326) 0.863 16.523 ( 0.946 -1.598 -0.199) 1.867 16.545 ( -0.081 -1.241 -0.186) 1.257 16.596 ( -0.915 1.211 1.289) 1.991 18.022 ( 0.407 1.480 4.165) 4.439 18.324 ( -1.499 -5.596 -2.218) 6.203 18.673 ( 1.588 4.778 -2.156) 5.477 18.948 ( -0.799 -3.436 2.191) 4.153 18.962 ( 0.161 3.440 0.215) 3.450 19.052 ( 0.192 1.193 1.207) 1.708 ======================= Grid point 32 (25/125) ======================= q-point: (-0.56 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -1.644 -0.974 0.243) 1.927 1.188 ( -9.960 -8.975 -7.163) 15.201 1.304 ( 9.093 -9.191 -9.931) 16.303 1.636 ( 3.081 -4.424 7.335) 9.103 1.665 ( -11.322 -2.834 9.983) 15.359 1.817 ( -2.265 -2.112 3.127) 4.401 1.949 ( 0.121 -6.332 5.381) 8.310 2.186 ( -0.371 2.431 -0.505) 2.510 2.398 ( 7.960 -0.681 4.048) 8.956 2.438 ( 3.456 -0.955 -0.515) 3.622 2.539 ( -2.924 6.818 -4.283) 8.566 2.667 ( 2.775 2.440 -0.859) 3.793 2.749 ( -5.326 6.589 -4.837) 9.756 2.837 ( 4.143 -3.463 0.318) 5.409 2.999 ( -1.507 -0.113 -1.471) 2.109 3.237 ( 1.188 -3.029 -0.886) 3.372 3.377 ( -1.555 -0.210 3.285) 3.641 3.442 ( -0.066 1.343 0.671) 1.502 3.502 ( -0.213 -1.414 1.158) 1.840 3.601 ( -1.805 0.379 1.984) 2.709 3.684 ( 2.171 0.950 1.298) 2.702 3.821 ( 2.796 -3.824 0.106) 4.739 3.905 ( 0.458 1.046 1.042) 1.546 4.017 ( -0.758 4.104 2.816) 5.034 4.163 ( 0.210 -1.180 -3.389) 3.594 4.407 ( -1.385 5.614 -4.914) 7.588 4.617 ( 0.596 9.071 1.590) 9.228 5.549 ( -3.821 -6.145 -1.614) 7.414 5.668 ( 2.678 -0.836 3.776) 4.704 5.893 ( -0.536 1.206 -1.378) 1.908 10.798 ( -0.284 -0.549 0.144) 0.635 10.870 ( 0.644 0.002 0.025) 0.645 10.895 ( -0.494 0.454 -0.425) 0.794 11.059 ( 1.179 -1.250 2.856) 3.333 11.079 ( -1.708 -0.995 3.612) 4.117 11.141 ( 1.440 0.138 -1.817) 2.323 11.555 ( 0.217 -1.485 1.684) 2.255 11.875 ( -4.871 2.550 -5.941) 8.095 12.058 ( 5.355 8.928 -0.267) 10.414 12.425 ( -0.353 -6.255 -1.848) 6.532 12.660 ( -3.763 -0.359 0.373) 3.798 12.863 ( 3.188 -1.518 -1.518) 3.843 15.510 ( 0.783 0.188 -0.564) 0.983 15.520 ( -0.144 0.637 0.110) 0.662 15.556 ( -0.645 -0.530 -0.153) 0.849 16.510 ( 0.940 -1.736 -1.320) 2.375 16.549 ( 0.914 -1.382 0.923) 1.897 16.611 ( -1.500 1.545 0.691) 2.261 18.074 ( -6.376 0.178 2.858) 6.989 18.279 ( 5.024 -3.333 -0.786) 6.080 18.682 ( 2.843 3.662 -1.294) 4.813 18.958 ( -1.605 -3.190 1.932) 4.060 18.982 ( 0.114 3.507 0.018) 3.509 19.078 ( -0.516 0.664 1.426) 1.655 ======================= Grid point 33 (26/125) ======================= q-point: (-0.44 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -8.633 -16.587 -13.475) 23.048 0.980 ( -6.060 -1.191 0.464) 6.193 1.316 ( 6.483 1.979 -0.049) 6.779 1.636 ( -12.684 -8.498 3.725) 15.715 1.725 ( -3.208 -0.994 0.565) 3.405 1.859 ( -3.344 1.082 6.982) 7.816 2.061 ( 4.569 -1.871 5.784) 7.604 2.213 ( 2.138 -0.677 2.020) 3.018 2.361 ( -1.311 3.362 -7.449) 8.277 2.508 ( 3.657 -0.649 1.815) 4.134 2.567 ( 3.198 4.697 2.620) 6.257 2.628 ( -3.865 5.447 -4.922) 8.297 2.688 ( 0.640 2.704 -1.682) 3.248 2.860 ( 6.753 -6.381 -1.542) 9.418 2.980 ( 1.198 0.350 0.874) 1.524 3.228 ( 2.305 -1.506 -0.517) 2.801 3.415 ( -1.455 -0.039 2.584) 2.966 3.453 ( -1.288 0.497 0.884) 1.639 3.510 ( -0.579 -0.312 0.133) 0.671 3.632 ( -1.608 -0.177 2.600) 3.062 3.722 ( 3.665 -0.917 1.393) 4.027 3.826 ( -0.587 -2.583 -1.082) 2.862 3.916 ( 2.893 0.527 0.217) 2.948 4.078 ( -0.173 2.361 1.301) 2.701 4.102 ( 0.741 1.154 -2.654) 2.988 4.359 ( -0.516 2.630 -2.293) 3.527 4.695 ( -0.769 6.429 2.813) 7.059 5.437 ( -5.232 -5.381 -2.997) 8.081 5.760 ( 1.542 -0.077 4.419) 4.681 5.858 ( -0.367 0.722 -2.702) 2.821 10.808 ( 0.439 0.558 0.873) 1.126 10.873 ( 0.274 0.081 -0.232) 0.368 10.884 ( 0.078 -0.047 -0.605) 0.612 11.067 ( 1.024 -1.056 -1.956) 2.447 11.127 ( -2.550 -0.113 3.809) 4.585 11.137 ( 0.506 -1.617 0.498) 1.766 11.591 ( 0.780 -1.500 2.687) 3.174 11.744 ( -2.642 2.508 -5.939) 6.967 12.157 ( 3.977 9.081 1.844) 10.084 12.349 ( -0.055 -6.896 -2.869) 7.469 12.613 ( -6.478 -0.884 -0.104) 6.539 12.881 ( 5.568 -0.308 -0.478) 5.597 15.500 ( 0.374 -0.196 -0.869) 0.966 15.523 ( -1.406 0.451 0.050) 1.477 15.561 ( 1.158 0.073 0.765) 1.390 16.477 ( 0.537 -1.439 -2.213) 2.694 16.570 ( 0.534 -0.880 0.850) 1.335 16.615 ( -0.941 1.244 0.625) 1.680 18.019 ( -10.420 -1.001 0.145) 10.469 18.348 ( 9.430 -0.167 1.721) 9.587 18.702 ( 3.459 1.211 -0.977) 3.793 18.958 ( -2.080 -2.956 1.487) 3.908 18.995 ( -0.356 3.617 -0.485) 3.666 19.099 ( -0.698 0.109 1.441) 1.605 ======================= Grid point 34 (27/125) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -10.668 -0.887 -0.590) 10.721 0.905 ( -10.895 2.280 -1.873) 11.287 1.390 ( -1.800 3.337 3.605) 5.232 1.511 ( -10.800 -3.802 -1.297) 11.523 1.688 ( -1.255 -1.767 -0.443) 2.212 1.968 ( -1.307 -0.604 5.641) 5.822 2.153 ( 3.406 0.840 0.657) 3.569 2.228 ( 0.625 2.582 -5.532) 6.137 2.280 ( 0.525 -3.173 1.280) 3.461 2.497 ( -0.141 -2.215 -1.211) 2.528 2.549 ( 0.462 2.128 -5.063) 5.511 2.655 ( 4.168 0.909 1.178) 4.425 2.710 ( -0.011 3.783 1.521) 4.077 2.851 ( 3.788 -1.800 -0.304) 4.205 3.048 ( 5.154 -1.434 2.796) 6.036 3.240 ( 3.267 -0.525 -0.231) 3.317 3.428 ( -2.260 2.158 -0.459) 3.159 3.468 ( 0.021 -1.689 1.577) 2.311 3.492 ( -1.699 0.649 -0.980) 2.066 3.644 ( -1.573 -0.900 0.826) 1.992 3.751 ( -0.662 0.481 -4.450) 4.524 3.788 ( 4.468 -0.303 1.486) 4.719 3.979 ( 4.386 -1.331 2.970) 5.462 4.052 ( -0.878 1.443 -2.046) 2.653 4.120 ( 1.084 0.302 0.757) 1.356 4.338 ( -0.741 -0.191 -0.170) 0.784 4.738 ( -0.828 0.034 0.346) 0.898 5.338 ( -7.504 -0.142 -0.035) 7.505 5.804 ( 0.386 0.666 -3.573) 3.654 5.838 ( 0.581 -0.584 3.362) 3.462 10.830 ( 1.281 -0.074 0.033) 1.283 10.872 ( -0.007 0.402 0.215) 0.456 10.878 ( 0.247 -0.293 -0.045) 0.386 11.037 ( 0.252 -0.229 -0.989) 1.046 11.117 ( -1.142 0.439 -1.913) 2.271 11.167 ( -2.461 -0.214 2.911) 3.818 11.609 ( 0.316 -0.371 -1.969) 2.029 11.696 ( -0.561 0.430 2.122) 2.237 12.236 ( 3.482 -2.595 -1.565) 4.616 12.293 ( 0.493 2.892 0.721) 3.021 12.556 ( -6.875 -0.418 0.456) 6.903 12.924 ( 5.757 0.009 0.022) 5.757 15.489 ( 0.070 -0.054 -0.488) 0.496 15.512 ( -1.254 0.097 0.039) 1.259 15.588 ( 1.681 0.004 0.551) 1.769 16.441 ( -0.369 -0.278 -0.935) 1.043 16.563 ( -0.989 0.482 -0.963) 1.462 16.642 ( 0.692 -0.242 1.914) 2.050 17.929 ( -9.965 -0.191 -0.140) 9.968 18.465 ( 9.902 2.166 1.795) 10.294 18.706 ( 3.440 -2.560 -1.764) 4.637 18.949 ( -2.314 -2.266 0.990) 3.387 18.990 ( -1.295 3.018 -1.191) 3.494 19.113 ( -0.091 -0.153 0.185) 0.256 ======================= Grid point 35 (28/125) ======================= q-point: (-0.22 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -8.175 15.418 14.420) 22.638 0.759 ( -15.771 8.608 -4.572) 18.540 1.334 ( -22.620 -1.743 5.939) 23.451 1.550 ( 10.283 2.549 2.497) 10.884 1.669 ( 2.229 -1.613 -1.573) 3.169 1.952 ( -1.754 -2.041 -6.177) 6.738 2.144 ( -0.952 -1.061 -0.571) 1.536 2.187 ( -1.534 -0.793 -1.264) 2.140 2.290 ( 0.870 3.914 0.627) 4.058 2.445 ( 4.768 -5.425 -5.280) 8.946 2.523 ( 6.418 0.734 -1.959) 6.750 2.694 ( -0.473 -1.985 1.801) 2.722 2.749 ( -1.167 1.000 3.103) 3.463 2.902 ( 3.281 1.209 1.580) 3.837 3.110 ( 1.855 0.352 0.409) 1.932 3.264 ( 3.985 -0.188 -0.344) 4.004 3.391 ( -1.505 0.907 -2.157) 2.782 3.446 ( -1.595 0.629 -2.975) 3.434 3.478 ( -1.717 -0.899 0.921) 2.145 3.621 ( -3.330 -0.828 -1.325) 3.678 3.723 ( 4.897 3.030 -0.943) 5.836 3.816 ( 3.088 -0.020 -1.899) 3.625 3.992 ( 0.447 0.090 -3.038) 3.072 4.074 ( 2.611 -1.218 2.599) 3.881 4.153 ( 2.049 -0.362 2.288) 3.093 4.343 ( -1.413 -3.250 2.680) 4.443 4.686 ( -0.931 -5.126 -3.260) 6.146 5.323 ( -8.629 4.856 3.976) 10.670 5.748 ( 1.816 0.163 -3.723) 4.146 5.882 ( -0.531 -0.481 1.925) 2.054 10.821 ( 0.958 -0.948 -1.272) 1.853 10.879 ( 0.429 0.504 -0.688) 0.955 10.892 ( 0.431 -0.151 1.411) 1.483 11.038 ( 0.165 1.304 0.033) 1.315 11.085 ( -0.739 0.315 0.099) 0.809 11.183 ( -0.800 0.689 0.309) 1.100 11.572 ( 0.506 0.829 -2.089) 2.304 11.746 ( -2.540 -2.214 4.252) 5.425 12.194 ( 4.564 -6.344 -1.899) 8.043 12.351 ( -0.402 5.371 1.207) 5.520 12.522 ( -5.782 0.802 1.794) 6.107 12.970 ( 4.993 -0.194 0.128) 4.999 15.484 ( -0.017 0.127 -0.075) 0.148 15.509 ( -0.596 0.070 0.468) 0.761 15.599 ( 1.357 -0.609 -0.426) 1.547 16.455 ( 0.447 1.156 2.188) 2.515 16.538 ( -1.063 0.582 -1.032) 1.592 16.674 ( 1.169 -1.005 0.975) 1.824 17.861 ( -8.006 0.828 0.783) 8.087 18.576 ( 10.055 4.395 -1.369) 11.059 18.677 ( 2.088 -6.080 -0.752) 6.472 18.936 ( -2.248 -1.148 0.636) 2.603 18.960 ( -2.482 2.090 -1.786) 3.704 19.089 ( -1.296 -0.369 -2.240) 2.614 ======================= Grid point 36 (29/125) ======================= q-point: (-0.11 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -14.672 8.254 0.700) 16.848 0.914 ( -6.221 13.274 13.248) 19.759 1.302 ( -13.834 -0.181 8.124) 16.044 1.613 ( -0.349 -2.360 -2.704) 3.605 1.738 ( 8.976 2.764 5.510) 10.889 1.772 ( -1.623 -1.059 -10.084) 10.268 2.090 ( -2.891 -0.494 -3.031) 4.218 2.161 ( 0.646 -2.778 0.575) 2.909 2.333 ( -0.643 -2.269 1.255) 2.672 2.400 ( 7.892 2.568 -3.666) 9.073 2.550 ( 8.695 0.685 -2.243) 9.006 2.707 ( -4.270 -1.775 3.226) 5.638 2.786 ( -0.894 -0.565 0.878) 1.375 2.942 ( 0.979 -0.639 0.619) 1.323 3.081 ( -3.436 2.646 -3.240) 5.413 3.284 ( 3.246 -0.543 -0.686) 3.362 3.346 ( -0.670 -0.559 -2.813) 2.945 3.396 ( -0.533 0.690 -0.808) 1.189 3.474 ( -1.633 0.266 0.472) 1.720 3.557 ( -2.250 -1.021 -2.299) 3.375 3.765 ( 2.785 2.566 -1.445) 4.053 3.778 ( 1.694 0.096 -4.317) 4.639 3.961 ( 4.234 -0.526 -1.861) 4.655 4.113 ( 1.667 -2.342 1.343) 3.173 4.223 ( 3.173 2.359 2.191) 4.520 4.358 ( -2.966 -6.969 3.016) 8.152 4.615 ( -0.501 -2.369 -0.812) 2.554 5.350 ( -7.958 4.620 3.848) 9.974 5.714 ( 3.167 0.061 -2.524) 4.050 5.893 ( -1.466 -0.283 0.641) 1.625 10.807 ( 0.477 -0.617 -0.497) 0.925 10.851 ( -0.398 0.820 -2.489) 2.650 10.909 ( 0.078 -0.036 -0.017) 0.088 11.048 ( 1.684 -0.268 -0.017) 1.705 11.111 ( 0.506 -0.525 1.711) 1.860 11.172 ( 0.843 1.156 -1.791) 2.292 11.556 ( 0.637 0.637 -0.699) 1.140 11.767 ( -4.728 -2.091 3.010) 5.982 12.205 ( 5.578 -3.009 0.627) 6.369 12.370 ( -1.805 2.174 0.496) 2.869 12.532 ( -4.040 1.853 2.902) 5.307 13.003 ( 3.731 -0.695 -0.216) 3.801 15.486 ( 0.040 0.234 0.183) 0.300 15.517 ( -0.259 0.099 0.663) 0.719 15.597 ( 1.222 -0.878 -0.424) 1.563 16.504 ( 0.791 1.633 1.266) 2.213 16.520 ( -1.035 0.377 -0.278) 1.136 16.682 ( 1.826 -1.793 -0.769) 2.672 17.835 ( -4.885 1.314 1.572) 5.297 18.566 ( 4.620 -1.581 -5.204) 7.136 18.719 ( 4.620 -0.748 2.270) 5.202 18.912 ( -3.075 1.386 -1.788) 3.817 18.927 ( -1.719 0.404 0.357) 1.801 19.032 ( -2.749 -0.328 -1.557) 3.177 ======================= Grid point 38 (30/125) ======================= q-point: ( 0.11 -0.56 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 7.590 -4.362 0.198) 8.756 1.202 ( -1.024 1.514 2.717) 3.275 1.296 ( 0.339 1.062 -3.126) 3.319 1.457 ( -0.810 1.315 7.348) 7.508 1.729 ( -1.791 0.104 2.196) 2.836 1.987 ( 1.401 -7.258 -0.002) 7.391 2.064 ( 1.133 -3.164 0.580) 3.410 2.127 ( -6.934 -6.514 -4.548) 10.546 2.187 ( 1.711 -1.151 0.098) 2.064 2.426 ( 7.273 1.915 -1.541) 7.677 2.523 ( -4.046 -2.646 -3.888) 6.204 2.687 ( -0.371 4.199 2.943) 5.141 2.796 ( 1.712 3.841 0.474) 4.232 2.951 ( -2.913 2.221 -1.594) 3.995 3.011 ( -0.328 -2.183 3.920) 4.499 3.247 ( -0.972 -2.281 1.022) 2.681 3.291 ( 0.650 1.228 0.227) 1.408 3.456 ( 3.790 0.869 -0.117) 3.890 3.499 ( -0.614 -1.017 0.213) 1.206 3.512 ( 0.189 -0.281 -2.498) 2.520 3.587 ( -1.234 0.728 3.889) 4.145 3.752 ( -1.538 3.114 2.662) 4.376 3.853 ( 1.810 -1.397 -3.054) 3.815 4.115 ( -2.734 1.389 -2.185) 3.766 4.254 ( -1.969 -6.597 0.053) 6.884 4.402 ( 4.944 8.652 -0.263) 9.968 4.645 ( -2.655 3.169 -2.756) 4.968 5.460 ( 0.089 0.148 2.737) 2.742 5.672 ( 1.555 -2.993 -0.617) 3.429 5.903 ( -0.371 0.807 0.374) 0.964 10.796 ( 0.155 -1.104 1.233) 1.662 10.834 ( 1.030 0.086 -0.624) 1.208 10.945 ( -1.980 0.581 1.121) 2.349 10.954 ( 0.740 -0.188 -0.455) 0.889 11.046 ( -0.115 -0.915 0.761) 1.196 11.166 ( -0.222 1.668 -1.128) 2.025 11.559 ( -0.319 -2.172 0.131) 2.200 11.854 ( 1.052 4.801 0.525) 4.943 12.194 ( -2.513 1.103 -3.657) 4.572 12.425 ( 2.889 -2.680 1.358) 4.168 12.643 ( -0.377 -0.240 0.589) 0.739 12.962 ( -0.765 -1.222 -1.030) 1.771 15.498 ( 0.326 0.094 -0.115) 0.358 15.527 ( 0.021 -0.060 -0.186) 0.197 15.586 ( -0.237 -0.005 -0.234) 0.333 16.524 ( -0.113 -0.977 0.137) 0.993 16.560 ( -0.252 -0.457 -0.276) 0.590 16.585 ( -0.165 0.649 0.618) 0.911 17.917 ( 1.691 0.512 1.472) 2.300 18.415 ( -0.869 -2.545 -0.200) 2.697 18.720 ( -2.887 2.743 -2.438) 4.669 18.904 ( 1.956 -1.820 1.798) 3.220 18.947 ( 0.197 1.470 0.030) 1.483 19.014 ( 0.447 0.626 0.726) 1.057 ======================= Grid point 39 (31/125) ======================= q-point: ( 0.22 -0.56 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 7.398 -4.094 -1.454) 8.579 1.219 ( 1.647 1.553 -3.434) 4.112 1.352 ( 4.693 -3.206 7.751) 9.611 1.615 ( -0.412 1.701 9.015) 9.184 1.733 ( -3.378 -13.419 -8.172) 16.070 1.766 ( -3.468 -3.815 -0.780) 5.214 2.067 ( -5.827 -5.869 3.114) 8.837 2.142 ( 4.775 0.233 4.092) 6.293 2.229 ( 1.870 1.281 2.044) 3.052 2.395 ( -1.547 -1.818 -5.317) 5.829 2.445 ( 5.857 -2.286 -1.400) 6.442 2.719 ( -2.992 4.788 -0.878) 5.714 2.835 ( 0.658 5.797 -0.759) 5.883 2.914 ( -3.328 0.513 -0.763) 3.452 3.049 ( -2.241 0.060 1.635) 2.775 3.244 ( 0.160 -3.891 0.555) 3.933 3.330 ( 1.153 0.469 2.816) 3.079 3.421 ( 1.076 0.105 -2.959) 3.150 3.501 ( 0.071 -0.837 0.406) 0.933 3.559 ( 2.604 1.978 3.650) 4.901 3.640 ( -2.880 0.704 3.019) 4.231 3.788 ( 2.916 -2.801 -3.023) 5.048 3.833 ( -1.464 3.219 4.234) 5.517 4.060 ( -3.580 2.206 -1.445) 4.447 4.215 ( -0.957 -3.946 -0.660) 4.114 4.463 ( 4.368 8.673 -2.970) 10.155 4.579 ( -3.485 6.156 -2.756) 7.592 5.530 ( 2.185 -0.681 4.104) 4.700 5.644 ( 0.592 -5.014 -1.549) 5.281 5.910 ( -0.291 1.228 0.038) 1.263 10.811 ( -0.207 -2.000 0.498) 2.072 10.835 ( 1.564 0.435 0.283) 1.648 10.926 ( -0.533 0.627 -1.121) 1.390 10.989 ( -0.458 -0.343 2.964) 3.019 11.067 ( -1.351 -1.116 2.904) 3.392 11.148 ( 0.057 1.817 -1.828) 2.578 11.548 ( -0.275 -2.324 0.366) 2.368 11.907 ( 3.496 7.401 0.026) 8.186 12.089 ( -4.538 1.706 -5.472) 7.310 12.446 ( 2.409 -4.478 0.167) 5.087 12.650 ( 1.491 -0.426 0.081) 1.553 12.921 ( -2.544 -1.574 -1.402) 3.303 15.498 ( 0.509 -0.023 -0.282) 0.583 15.522 ( -0.011 0.113 -0.323) 0.342 15.579 ( -0.483 0.100 -0.256) 0.556 16.516 ( 0.001 -1.741 -0.322) 1.770 16.544 ( 0.292 -1.007 -0.628) 1.222 16.612 ( -1.090 1.423 1.866) 2.587 17.975 ( 4.520 0.214 2.035) 4.962 18.383 ( -4.680 -3.703 0.530) 5.991 18.671 ( -1.478 4.123 -2.664) 5.127 18.942 ( 1.256 -2.104 2.011) 3.170 18.959 ( 0.530 1.770 0.117) 1.852 19.042 ( 0.886 1.107 1.245) 1.887 ======================= Grid point 40 (32/125) ======================= q-point: ( 0.33 -0.56 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 4.526 -2.266 0.683) 5.108 1.153 ( 8.661 -8.457 -9.278) 15.251 1.364 ( -10.420 -10.597 -7.227) 16.526 1.550 ( 5.808 -5.205 7.664) 10.934 1.793 ( -1.800 1.715 7.112) 7.534 1.825 ( 1.600 -1.012 6.351) 6.627 2.025 ( -9.251 -7.199 3.262) 12.167 2.210 ( -2.340 0.874 -0.982) 2.684 2.291 ( 3.830 3.252 3.509) 6.129 2.351 ( 7.402 0.284 -1.972) 7.665 2.478 ( 6.870 -3.251 0.779) 7.640 2.675 ( -3.523 4.891 -3.020) 6.742 2.819 ( -1.344 4.355 -3.102) 5.513 2.859 ( -4.991 0.983 -2.469) 5.654 3.029 ( -2.871 0.801 -1.294) 3.249 3.227 ( 0.068 -3.682 -0.383) 3.703 3.397 ( -0.647 -0.315 3.662) 3.732 3.417 ( 2.428 0.441 0.934) 2.639 3.507 ( -0.014 -0.609 0.447) 0.756 3.638 ( -2.975 -0.677 0.631) 3.116 3.651 ( 2.268 1.936 2.575) 3.939 3.764 ( 2.675 -2.722 -0.113) 3.818 3.919 ( -0.931 1.439 3.839) 4.205 4.038 ( -1.887 2.478 0.457) 3.148 4.167 ( -0.722 -1.334 -2.860) 3.237 4.418 ( 0.139 5.328 -5.878) 7.934 4.612 ( 0.057 9.633 2.332) 9.912 5.569 ( 2.835 -7.027 -3.540) 8.363 5.635 ( -0.304 -0.188 5.442) 5.454 5.904 ( -0.605 1.353 -1.188) 1.900 10.802 ( -0.122 -0.491 -0.137) 0.525 10.860 ( 0.462 0.002 0.937) 1.045 10.905 ( -0.569 0.503 -1.083) 1.323 11.036 ( 1.107 -1.469 2.343) 2.979 11.111 ( -1.128 -1.494 3.418) 3.897 11.124 ( -0.113 0.609 -0.835) 1.040 11.551 ( 0.155 -1.283 1.165) 1.740 11.920 ( 2.042 1.248 -7.911) 8.265 12.015 ( -2.752 9.938 1.867) 10.479 12.421 ( 0.734 -6.350 -1.536) 6.574 12.669 ( 2.770 0.078 0.120) 2.774 12.863 ( -3.200 -1.609 -1.496) 3.882 15.496 ( 0.749 -0.157 -0.496) 0.912 15.520 ( 0.100 0.406 0.062) 0.423 15.570 ( -0.865 0.045 -0.121) 0.874 16.494 ( 0.606 -1.920 -1.380) 2.441 16.541 ( 0.309 -1.099 0.698) 1.338 16.635 ( -1.362 1.478 0.950) 2.223 18.061 ( 6.728 0.112 2.406) 7.146 18.317 ( -8.252 -3.863 0.077) 9.112 18.651 ( 0.821 4.276 -1.600) 4.639 18.972 ( 0.316 -2.217 1.814) 2.881 18.974 ( 0.546 2.045 0.055) 2.118 19.077 ( 0.521 1.084 1.390) 1.838 ======================= Grid point 41 (33/125) ======================= q-point: ( 0.44 -0.56 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 1.348 -16.203 -13.808) 21.331 1.016 ( 0.847 -1.942 0.882) 2.295 1.250 ( -1.839 1.140 0.019) 2.164 1.703 ( 4.133 -3.449 5.628) 7.788 1.858 ( -6.848 -4.872 4.396) 9.485 1.929 ( -1.352 1.790 4.905) 5.394 1.996 ( -3.186 -3.037 2.571) 5.097 2.188 ( 0.832 -0.384 0.907) 1.290 2.337 ( 4.556 2.385 -5.519) 7.543 2.431 ( 4.266 3.631 4.136) 6.963 2.534 ( 1.792 0.842 1.315) 2.377 2.643 ( 2.264 -0.657 -0.270) 2.373 2.750 ( -7.421 10.046 -5.513) 13.652 2.776 ( 1.449 -6.278 -1.893) 6.716 2.983 ( -1.296 0.215 -1.676) 2.129 3.208 ( 0.203 -1.467 -0.379) 1.528 3.433 ( -0.892 -1.306 2.208) 2.716 3.466 ( 0.514 0.421 1.319) 1.476 3.510 ( 0.220 -0.155 0.319) 0.417 3.642 ( 0.372 -0.376 2.241) 2.303 3.696 ( -0.774 0.472 0.890) 1.270 3.793 ( 3.665 -2.174 1.255) 4.442 3.924 ( -2.961 0.691 -1.589) 3.431 4.071 ( 1.160 1.197 1.628) 2.329 4.106 ( -1.070 1.152 -2.439) 2.902 4.362 ( 0.052 2.563 -2.710) 3.731 4.704 ( -0.197 7.200 2.943) 7.781 5.483 ( -0.173 -5.553 -3.311) 6.468 5.735 ( 1.271 -0.577 5.168) 5.353 5.869 ( -0.900 1.247 -2.813) 3.206 10.805 ( -0.060 0.485 0.505) 0.703 10.871 ( 0.000 0.108 0.185) 0.214 10.885 ( -0.140 0.129 -0.957) 0.976 11.051 ( 0.888 -1.464 -1.016) 1.991 11.121 ( 1.140 -0.566 0.977) 1.604 11.166 ( -1.870 -1.159 3.815) 4.404 11.579 ( 0.702 -1.017 2.225) 2.545 11.781 ( -1.386 1.572 -7.461) 7.750 12.111 ( 1.169 9.958 3.065) 10.484 12.351 ( -0.154 -7.442 -2.832) 7.965 12.687 ( -0.368 0.168 0.194) 0.449 12.816 ( 0.068 -1.014 -0.989) 1.418 15.491 ( 0.512 -0.194 -0.519) 0.755 15.532 ( 0.487 0.609 0.609) 0.990 15.559 ( -1.051 -0.138 -0.174) 1.074 16.465 ( 0.800 -1.437 -1.611) 2.302 16.561 ( 0.509 -0.990 1.474) 1.847 16.635 ( -1.328 1.302 -0.218) 1.872 18.158 ( 3.389 0.501 2.503) 4.243 18.228 ( -4.675 -2.619 -0.964) 5.444 18.661 ( 1.534 2.431 -0.598) 2.936 18.984 ( -0.798 -2.277 1.214) 2.702 18.991 ( 0.608 2.314 -0.131) 2.396 19.104 ( 0.025 0.576 0.970) 1.129 ======================= Grid point 43 (34/125) ======================= q-point: (-0.44 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -5.701 -0.720 -0.314) 5.755 1.011 ( -2.757 1.063 -0.758) 3.050 1.279 ( 5.817 1.585 0.307) 6.037 1.724 ( -5.388 1.750 -2.518) 6.200 1.811 ( -12.962 -6.862 4.396) 15.311 1.999 ( -1.090 -0.341 1.774) 2.110 2.037 ( 8.597 3.525 1.162) 9.364 2.238 ( -0.737 0.190 -0.782) 1.091 2.250 ( 1.842 -1.171 -2.339) 3.199 2.498 ( 0.269 -3.673 -1.044) 3.828 2.558 ( 1.363 0.579 -1.839) 2.361 2.627 ( -2.861 5.534 -2.770) 6.818 2.698 ( -0.247 7.707 1.552) 7.865 2.776 ( 5.939 -8.788 2.371) 10.868 2.977 ( 2.323 -0.476 0.937) 2.550 3.205 ( 1.020 0.099 -0.108) 1.030 3.450 ( -0.026 0.050 0.482) 0.485 3.473 ( -1.018 0.502 -0.175) 1.148 3.511 ( -0.518 -0.041 -0.262) 0.582 3.666 ( -1.639 -1.016 -0.491) 1.990 3.719 ( 3.570 0.219 1.240) 3.785 3.787 ( -2.447 0.363 -2.663) 3.635 3.913 ( 3.084 -0.488 2.127) 3.778 4.073 ( -1.230 0.876 -0.975) 1.798 4.104 ( 0.862 -0.250 0.626) 1.094 4.344 ( -0.124 -0.103 -0.084) 0.181 4.751 ( -0.487 0.025 0.166) 0.515 5.424 ( -2.760 -0.110 0.025) 2.763 5.805 ( -0.630 1.023 -3.989) 4.166 5.823 ( 1.124 -0.948 3.844) 4.116 10.816 ( 0.454 -0.025 0.026) 0.456 10.872 ( -0.034 0.216 0.041) 0.222 10.875 ( 0.071 -0.168 0.033) 0.185 11.034 ( 0.132 -0.106 -0.368) 0.405 11.130 ( -0.438 0.181 -0.730) 0.870 11.196 ( -0.962 -0.080 1.086) 1.453 11.608 ( -0.035 -0.229 -0.824) 0.856 11.703 ( -0.225 0.284 0.955) 1.021 12.192 ( 1.568 -0.883 -0.612) 1.901 12.286 ( 0.229 0.955 0.218) 1.006 12.663 ( -5.438 -0.206 0.204) 5.446 12.830 ( 5.019 0.050 -0.024) 5.019 15.487 ( 0.099 -0.004 -0.233) 0.253 15.534 ( -1.299 0.003 -0.273) 1.327 15.563 ( 1.283 0.027 0.540) 1.392 16.445 ( -0.128 -0.156 -0.385) 0.435 16.573 ( -0.288 0.319 -0.505) 0.663 16.635 ( 0.213 -0.184 0.899) 0.942 18.104 ( -11.167 -0.636 -0.345) 11.191 18.291 ( 11.160 1.421 0.862) 11.283 18.667 ( 1.234 -0.999 -0.577) 1.690 18.981 ( -1.490 -2.877 0.997) 3.390 18.998 ( 0.204 3.225 -1.016) 3.388 19.115 ( -0.047 -0.126 0.030) 0.138 ======================= Grid point 44 (35/125) ======================= 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -8.672 14.053 13.028) 21.034 0.952 ( -7.532 4.821 -2.637) 9.323 1.371 ( 10.653 2.970 1.541) 11.166 1.593 ( -8.974 4.923 -5.796) 11.763 1.754 ( -11.306 -4.937 3.832) 12.919 1.966 ( 0.723 -0.675 -6.321) 6.398 2.131 ( 4.903 0.736 -1.750) 5.258 2.191 ( 1.303 2.306 3.336) 4.259 2.263 ( -0.895 -0.697 -1.213) 1.661 2.402 ( 0.590 -7.271 -5.316) 9.026 2.483 ( -2.154 4.171 -4.788) 6.706 2.660 ( 3.054 -1.706 3.101) 4.675 2.773 ( -0.309 1.842 3.054) 3.580 2.847 ( 3.776 -1.820 3.498) 5.459 3.038 ( 5.353 -1.831 2.203) 6.072 3.219 ( 1.614 1.583 -0.121) 2.264 3.426 ( -2.240 1.241 -2.243) 3.404 3.457 ( 0.186 0.366 -2.482) 2.516 3.501 ( -1.031 -0.497 0.482) 1.242 3.645 ( 0.902 0.236 -0.173) 0.949 3.697 ( -1.917 0.639 -3.453) 4.000 3.767 ( 1.955 0.678 -0.713) 2.188 3.976 ( 2.596 -0.846 -0.209) 2.739 4.052 ( -0.496 -0.161 0.327) 0.616 4.127 ( 1.370 -0.967 2.003) 2.612 4.358 ( -0.484 -2.817 2.876) 4.055 4.700 ( -0.638 -6.783 -2.977) 7.435 5.440 ( -5.282 5.333 3.560) 8.308 5.728 ( 0.539 0.471 -4.863) 4.916 5.882 ( 0.514 -0.968 2.482) 2.713 10.809 ( 0.497 -0.661 -0.682) 1.072 10.873 ( 0.274 0.147 -0.390) 0.499 10.888 ( 0.193 -0.201 1.234) 1.265 11.040 ( -0.402 1.563 0.187) 1.625 11.101 ( -1.222 0.536 -0.961) 1.644 11.186 ( 0.518 0.923 -2.113) 2.363 11.570 ( -0.300 0.760 -1.975) 2.137 11.780 ( -1.345 -1.631 6.767) 7.089 12.128 ( 3.020 -8.950 -3.021) 9.917 12.353 ( 0.099 7.087 2.205) 7.422 12.622 ( -6.058 0.228 0.810) 6.117 12.881 ( 5.646 0.363 0.457) 5.676 15.486 ( -0.196 0.211 0.088) 0.301 15.520 ( -0.777 -0.160 -0.080) 0.797 15.579 ( 1.192 -0.359 0.034) 1.246 16.455 ( -0.367 1.265 1.506) 2.001 16.552 ( -0.639 0.936 -1.335) 1.751 16.655 ( 1.160 -1.176 0.638) 1.771 18.009 ( -9.855 0.465 -0.402) 9.874 18.400 ( 11.381 3.128 -0.697) 11.824 18.653 ( 0.595 -4.202 -0.028) 4.244 18.969 ( -1.726 -2.499 0.640) 3.104 18.988 ( -0.781 3.035 -1.701) 3.566 19.101 ( -0.398 -0.675 -1.239) 1.466 ======================= Grid point 45 (36/125) ======================= q-point: (-0.22 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -11.669 6.042 -1.575) 13.234 1.021 ( -7.321 12.719 11.663) 18.746 1.432 ( -3.146 2.514 -5.135) 6.526 1.575 ( 9.709 8.580 5.628) 14.126 1.715 ( -9.327 -2.754 3.456) 10.321 1.803 ( -1.604 -1.365 -10.092) 10.310 2.130 ( 1.839 -2.128 -0.155) 2.817 2.176 ( -5.213 0.098 -4.351) 6.791 2.295 ( 2.428 -5.410 -3.895) 7.095 2.326 ( 5.024 5.282 3.945) 8.289 2.430 ( 2.489 1.785 -3.161) 4.401 2.724 ( 1.875 -3.150 2.917) 4.685 2.815 ( -1.904 -1.784 2.463) 3.588 2.914 ( 2.246 0.013 1.706) 2.820 3.089 ( 2.807 -0.524 -0.363) 2.879 3.237 ( 1.678 2.733 -0.486) 3.243 3.370 ( -2.226 -0.765 -2.380) 3.347 3.406 ( -0.363 0.486 -1.899) 1.994 3.497 ( -1.103 0.210 0.053) 1.124 3.604 ( -3.289 -1.730 -3.024) 4.791 3.699 ( 4.449 2.975 0.279) 5.360 3.753 ( 1.033 1.042 -2.415) 2.826 3.928 ( 0.525 -1.893 -3.802) 4.280 4.076 ( 2.558 -1.926 1.024) 3.361 4.186 ( 1.607 1.683 2.410) 3.350 4.401 ( -1.994 -6.238 4.674) 8.045 4.615 ( 0.314 -6.899 -1.411) 7.048 5.478 ( -7.224 5.729 2.723) 9.614 5.666 ( 2.636 0.589 -3.455) 4.386 5.908 ( -0.279 -0.854 0.923) 1.288 10.803 ( 0.037 -0.074 -0.018) 0.085 10.855 ( -0.181 0.471 -1.911) 1.977 10.910 ( 0.020 -0.214 1.009) 1.032 11.030 ( 0.391 0.809 -1.419) 1.679 11.108 ( -0.187 -0.232 1.237) 1.272 11.150 ( 1.728 1.041 -2.973) 3.593 11.551 ( 0.110 0.960 -0.737) 1.215 11.849 ( -5.109 -3.234 4.565) 7.576 12.104 ( 6.407 -5.904 0.622) 8.735 12.401 ( -1.679 4.963 0.708) 5.287 12.603 ( -4.554 1.193 1.709) 5.009 12.933 ( 4.693 0.225 0.405) 4.716 15.488 ( -0.287 0.286 0.261) 0.482 15.519 ( -0.069 -0.083 0.298) 0.317 15.583 ( 0.696 -0.600 -0.077) 0.922 16.493 ( 0.407 1.834 1.565) 2.445 16.534 ( -0.674 0.845 -0.495) 1.189 16.656 ( 1.355 -1.570 -0.969) 2.289 17.938 ( -7.405 0.998 -0.013) 7.472 18.460 ( 8.224 2.398 -3.407) 9.219 18.660 ( 2.081 -4.104 2.370) 5.175 18.953 ( -1.584 -0.416 -0.530) 1.721 18.957 ( -1.975 1.160 -1.144) 2.560 19.063 ( -1.251 -0.813 -1.670) 2.239 ======================= Grid point 46 (37/125) ======================= q-point: (-0.11 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -10.273 5.951 3.190) 12.293 1.176 ( -3.539 3.827 6.986) 8.716 1.330 ( 1.185 1.002 -6.091) 6.285 1.599 ( -2.449 -1.859 -8.902) 9.418 1.697 ( -6.896 1.697 2.385) 7.492 1.844 ( 5.097 6.709 10.524) 13.481 2.052 ( -4.025 -1.258 -3.743) 5.638 2.148 ( 2.975 -0.003 0.348) 2.995 2.246 ( 5.342 -2.844 -2.724) 6.637 2.389 ( -1.409 2.120 -1.178) 2.805 2.483 ( 7.341 4.320 2.647) 8.920 2.754 ( 1.338 -2.395 -0.459) 2.782 2.791 ( -4.382 -4.076 0.116) 5.986 2.945 ( 0.564 -1.640 1.150) 2.081 3.059 ( -1.816 2.651 -3.393) 4.673 3.262 ( 2.259 1.675 0.155) 2.816 3.302 ( -1.800 -0.832 -2.441) 3.145 3.407 ( -0.643 0.035 1.554) 1.682 3.491 ( -1.016 0.337 0.061) 1.072 3.525 ( -1.299 -1.245 -2.167) 2.817 3.683 ( 2.074 -0.602 -4.589) 5.072 3.753 ( -1.740 2.496 -0.418) 3.071 3.883 ( 4.767 -2.007 -2.087) 5.578 4.111 ( 2.479 -2.103 1.705) 3.671 4.242 ( 2.460 4.982 0.594) 5.588 4.391 ( -4.276 -9.143 1.661) 10.229 4.622 ( 1.585 -2.218 2.822) 3.924 5.462 ( -5.643 2.906 -0.086) 6.348 5.660 ( 2.398 1.154 -0.687) 2.748 5.907 ( -0.757 -0.478 0.066) 0.898 10.810 ( -0.425 0.193 0.860) 0.979 10.818 ( -0.408 0.859 -2.068) 2.276 10.919 ( -1.057 0.003 0.747) 1.294 11.012 ( 2.023 -0.620 -2.014) 2.921 11.088 ( 1.240 -0.371 -2.837) 3.118 11.156 ( 0.886 -0.078 0.967) 1.314 11.553 ( 0.347 1.245 0.054) 1.294 11.840 ( -4.386 -3.183 1.735) 5.691 12.175 ( 5.427 -2.159 2.808) 6.481 12.403 ( -2.494 2.472 -0.161) 3.515 12.614 ( -2.761 1.545 1.982) 3.733 12.969 ( 3.080 -0.174 -0.041) 3.086 15.492 ( -0.179 0.269 0.247) 0.407 15.525 ( 0.203 -0.049 0.259) 0.333 15.585 ( 0.442 -0.546 0.179) 0.725 16.518 ( 0.145 1.825 0.072) 1.832 16.535 ( -0.807 0.418 0.854) 1.247 16.634 ( 1.579 -1.679 -1.990) 3.045 17.899 ( -4.327 1.004 0.429) 4.462 18.454 ( 3.862 -0.017 -2.926) 4.846 18.717 ( 3.715 -1.901 2.286) 4.758 18.910 ( -2.570 1.678 -1.900) 3.610 18.944 ( -1.110 -0.506 0.252) 1.245 19.025 ( -1.304 -0.531 -0.973) 1.711 ======================= Grid point 95 (38/125) ======================= q-point: ( 0.11 0.11 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.000 -0.000 15.031) 15.031 0.841 ( -0.000 -0.000 15.031) 15.031 1.268 ( -0.000 0.000 15.284) 15.284 1.503 ( 0.000 -0.000 -11.188) 11.188 1.503 ( 0.000 0.000 -11.188) 11.188 2.105 ( -0.000 0.000 7.326) 7.326 2.171 ( -0.000 0.000 2.751) 2.751 2.200 ( 0.000 -0.000 0.481) 0.481 2.200 ( 0.000 0.000 0.481) 0.481 2.538 ( 0.000 -0.000 -8.698) 8.698 2.658 ( 0.000 -0.000 1.660) 1.660 2.658 ( 0.000 0.000 1.660) 1.660 2.672 ( 0.000 -0.000 -1.921) 1.921 2.939 ( 0.000 0.000 -1.456) 1.456 2.939 ( 0.000 0.000 -1.456) 1.456 3.282 ( 0.000 -0.000 -2.301) 2.301 3.282 ( 0.000 -0.000 -2.301) 2.301 3.447 ( 0.000 -0.000 1.919) 1.919 3.447 ( -0.000 -0.000 1.919) 1.919 3.520 ( 0.000 -0.000 -0.182) 0.182 3.691 ( 0.000 -0.000 -6.807) 6.807 3.728 ( 0.000 -0.000 -4.414) 4.414 4.107 ( -0.000 -0.000 -1.704) 1.704 4.107 ( 0.000 0.000 -1.704) 1.704 4.366 ( 0.000 0.000 1.215) 1.215 4.366 ( 0.000 0.000 1.215) 1.215 4.496 ( -0.000 0.000 0.248) 0.248 5.284 ( -0.000 0.000 5.043) 5.043 5.811 ( 0.000 0.000 -0.148) 0.148 5.811 ( 0.000 -0.000 -0.148) 0.148 10.812 ( 0.000 0.000 -0.435) 0.435 10.812 ( 0.000 -0.000 -0.435) 0.435 10.884 ( 0.000 -0.000 -1.395) 1.395 11.095 ( 0.000 -0.000 -2.967) 2.967 11.147 ( 0.000 -0.000 -0.623) 0.623 11.147 ( 0.000 0.000 -0.623) 0.623 11.635 ( 0.000 -0.000 1.190) 1.190 11.635 ( 0.000 -0.000 1.190) 1.190 12.253 ( 0.000 -0.000 -1.179) 1.179 12.469 ( 0.000 -0.000 3.283) 3.283 12.469 ( 0.000 0.000 3.283) 3.283 13.058 ( 0.000 -0.000 -1.315) 1.315 15.507 ( 0.000 0.000 0.523) 0.523 15.507 ( 0.000 0.000 0.523) 0.523 15.620 ( 0.000 -0.000 -1.127) 1.127 16.505 ( 0.000 -0.000 0.362) 0.362 16.505 ( 0.000 0.000 0.362) 0.362 16.702 ( 0.000 -0.000 -3.117) 3.117 17.810 ( -0.000 0.000 2.290) 2.290 18.654 ( 0.000 -0.000 -3.096) 3.096 18.654 ( -0.000 0.000 -3.096) 3.096 18.882 ( -0.000 0.000 0.641) 0.641 18.939 ( 0.000 0.000 1.462) 1.462 18.939 ( 0.000 0.000 1.462) 1.462 ======================= Grid point 96 (39/125) ======================= q-point: ( 0.22 0.11 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -7.537 -4.292 12.826) 15.484 1.130 ( 4.875 2.878 8.292) 10.040 1.315 ( -0.781 -2.668 -5.626) 6.276 1.356 ( 0.994 3.090 -6.543) 7.304 1.509 ( 4.789 2.408 8.447) 10.005 2.129 ( -5.013 -7.228 0.224) 8.799 2.142 ( -6.820 1.671 2.492) 7.451 2.238 ( 1.830 -2.135 1.711) 3.292 2.266 ( 1.817 5.329 -1.157) 5.748 2.416 ( 2.067 -2.731 -4.342) 5.530 2.619 ( -4.197 -1.886 -1.295) 4.780 2.672 ( -0.845 0.692 0.872) 1.397 2.727 ( 4.346 2.599 0.997) 5.161 2.887 ( -0.491 -0.947 -1.799) 2.092 2.949 ( 2.009 1.555 0.094) 2.543 3.255 ( -0.366 0.129 -0.210) 0.441 3.267 ( 0.888 0.284 -0.409) 1.019 3.468 ( -1.384 -1.746 2.283) 3.190 3.494 ( 0.084 0.895 2.312) 2.481 3.522 ( -0.330 -0.183 0.406) 0.554 3.622 ( 2.148 1.197 -1.115) 2.700 3.637 ( -0.455 -0.187 -5.665) 5.686 4.025 ( -3.733 -1.853 -3.814) 5.650 4.087 ( 2.881 1.369 -3.502) 4.737 4.343 ( -1.824 -2.821 0.009) 3.359 4.385 ( -2.007 0.939 0.018) 2.216 4.534 ( 5.429 2.731 -0.597) 6.107 5.368 ( 0.896 0.573 4.185) 4.318 5.776 ( -3.504 -2.183 0.250) 4.136 5.845 ( 2.611 1.635 0.465) 3.116 10.806 ( -0.930 -0.332 0.543) 1.127 10.823 ( 0.545 -0.015 1.040) 1.174 10.881 ( 0.631 0.539 0.719) 1.098 11.027 ( -0.733 -0.407 -3.970) 4.057 11.104 ( -1.696 -1.130 -1.983) 2.844 11.145 ( 1.626 0.995 -1.277) 2.295 11.613 ( -3.483 -2.002 1.078) 4.160 11.714 ( 4.949 2.932 1.561) 5.960 12.223 ( 0.221 -0.013 -2.578) 2.588 12.491 ( -3.461 -1.839 2.889) 4.869 12.554 ( 2.793 1.540 3.074) 4.430 13.024 ( -0.855 -0.491 -2.021) 2.249 15.506 ( -0.616 -0.496 0.210) 0.818 15.522 ( 0.628 0.477 0.240) 0.824 15.600 ( -0.323 -0.162 -0.869) 0.941 16.516 ( 0.335 -0.218 1.097) 1.168 16.520 ( 0.113 0.437 0.771) 0.893 16.644 ( -0.600 -0.303 -3.012) 3.086 17.861 ( 0.445 0.253 3.295) 3.334 18.545 ( -4.685 -2.801 -3.171) 6.312 18.654 ( 4.652 2.913 -2.993) 6.252 18.898 ( 0.809 0.378 0.613) 1.083 18.942 ( -1.877 -1.463 1.643) 2.892 18.982 ( 1.249 1.057 1.188) 2.022 ======================= Grid point 97 (40/125) ======================= q-point: ( 0.33 0.11 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -6.437 -3.093 -0.330) 7.150 1.181 ( 1.142 1.280 1.574) 2.328 1.288 ( -1.561 -1.248 2.095) 2.896 1.422 ( 2.812 0.953 8.200) 8.721 1.680 ( 3.971 2.143 5.571) 7.169 2.061 ( -2.388 -8.864 0.196) 9.182 2.113 ( -2.664 -3.290 -3.370) 5.411 2.191 ( -5.133 6.251 -4.196) 9.112 2.257 ( -5.283 3.469 0.199) 6.324 2.408 ( 6.324 -5.924 0.611) 8.686 2.545 ( -4.573 -0.077 -1.964) 4.978 2.672 ( -1.785 3.143 -0.135) 3.617 2.764 ( 2.130 0.047 -0.530) 2.195 2.878 ( 4.714 -1.879 -0.680) 5.120 3.000 ( 2.412 3.089 1.971) 4.387 3.265 ( -0.712 0.557 1.540) 1.786 3.281 ( 0.337 -0.707 1.286) 1.506 3.478 ( -1.586 -3.505 1.247) 4.044 3.517 ( -0.578 0.274 -0.725) 0.967 3.523 ( -1.517 1.053 -2.576) 3.169 3.567 ( 1.246 0.741 2.411) 2.813 3.692 ( 2.977 1.929 4.508) 5.736 3.915 ( -4.501 -0.603 -3.694) 5.853 4.054 ( 4.604 1.012 -4.059) 6.220 4.320 ( -1.151 -1.483 0.137) 1.882 4.355 ( -1.596 -0.643 -1.684) 2.408 4.562 ( 5.769 3.625 -3.222) 7.537 5.451 ( 0.667 0.438 4.352) 4.424 5.738 ( -4.092 -2.301 -0.103) 4.696 5.879 ( 1.928 1.027 0.419) 2.224 10.812 ( -0.915 -0.840 1.233) 1.750 10.844 ( -0.684 0.062 0.858) 1.099 10.917 ( 1.602 1.028 1.031) 2.165 10.962 ( -0.383 -0.436 -1.439) 1.552 11.060 ( -1.004 -1.237 -0.539) 1.682 11.142 ( 1.393 1.502 -1.054) 2.304 11.593 ( -2.454 -1.417 0.355) 2.856 11.787 ( 4.212 2.303 0.908) 4.886 12.166 ( 1.015 0.562 -4.530) 4.676 12.493 ( -4.172 -2.041 1.941) 5.034 12.624 ( 2.043 0.878 1.748) 2.829 12.975 ( -0.700 -0.403 -2.331) 2.467 15.501 ( -0.362 -0.393 0.017) 0.534 15.528 ( 0.114 0.382 -0.171) 0.434 15.585 ( -0.030 -0.135 -0.598) 0.614 16.534 ( -0.506 0.304 0.867) 1.048 16.546 ( 1.198 0.081 1.399) 1.843 16.591 ( -0.686 -0.396 -2.014) 2.164 17.925 ( -0.463 -0.204 3.604) 3.639 18.451 ( -2.633 -2.333 -2.307) 4.207 18.654 ( 4.112 3.514 -2.758) 6.071 18.917 ( 0.865 0.298 0.571) 1.079 18.950 ( -1.716 -1.613 1.704) 2.907 19.012 ( 0.192 0.549 1.164) 1.301 ======================= Grid point 98 (41/125) ======================= q-point: (-0.56 0.11 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -8.498 -3.447 -1.097) 9.236 1.196 ( 1.571 0.620 -2.490) 3.009 1.369 ( -4.970 -0.815 9.495) 10.748 1.587 ( 1.277 -1.601 8.848) 9.082 1.752 ( -1.172 -2.668 -0.432) 2.946 1.904 ( -3.734 -5.882 -10.258) 12.400 2.047 ( 1.737 -7.863 1.557) 8.202 2.150 ( -1.211 3.066 -0.598) 3.350 2.236 ( -5.344 6.938 -0.508) 8.772 2.430 ( -1.328 -0.267 2.041) 2.450 2.501 ( -0.451 5.711 -2.863) 6.405 2.693 ( 3.441 1.371 0.305) 3.717 2.755 ( 2.112 -2.815 -1.490) 3.822 2.908 ( 3.355 -0.886 0.833) 3.569 3.054 ( 2.684 0.854 0.206) 2.824 3.289 ( -2.144 1.096 1.612) 2.897 3.303 ( -0.032 -2.565 2.070) 3.296 3.420 ( -1.188 0.061 -2.607) 2.866 3.503 ( -0.452 -1.297 0.996) 1.697 3.531 ( -1.251 -0.421 1.956) 2.360 3.651 ( 2.298 1.784 3.801) 4.786 3.794 ( -0.780 -0.391 3.360) 3.472 3.853 ( -1.590 3.973 0.790) 4.352 4.038 ( 5.723 0.058 -2.879) 6.407 4.293 ( -2.019 2.366 -3.804) 4.914 4.317 ( 1.710 -4.234 0.271) 4.574 4.560 ( 4.667 3.851 -3.395) 6.938 5.523 ( -1.886 -1.515 3.859) 4.555 5.686 ( -3.266 -0.908 -0.845) 3.494 5.897 ( 1.164 0.166 -0.200) 1.193 10.815 ( -0.514 -1.584 -0.197) 1.677 10.843 ( -1.827 1.082 1.038) 2.364 10.915 ( 1.226 -0.446 -1.236) 1.797 10.997 ( 0.104 0.443 3.071) 3.105 11.070 ( 1.010 -0.834 2.074) 2.453 11.147 ( 0.762 2.115 -0.376) 2.279 11.573 ( -1.597 -0.920 0.039) 1.844 11.823 ( 1.517 -0.330 -0.521) 1.638 12.104 ( 3.699 3.161 -5.101) 7.050 12.472 ( -4.462 -2.173 0.848) 5.035 12.641 ( -0.615 -0.958 -0.741) 1.358 12.942 ( 1.423 0.815 -1.490) 2.215 15.498 ( -0.347 0.028 -0.008) 0.348 15.525 ( -0.097 0.315 -0.291) 0.439 15.576 ( 0.433 -0.319 -0.554) 0.773 16.539 ( -0.890 0.471 -0.212) 1.029 16.551 ( -1.147 -0.045 -0.293) 1.185 16.594 ( 2.357 -0.300 1.286) 2.701 17.957 ( -3.777 -1.901 2.123) 4.731 18.419 ( 1.999 -1.097 0.231) 2.292 18.660 ( 3.558 4.698 -2.401) 6.364 18.933 ( 0.392 0.088 0.515) 0.654 18.955 ( -1.945 -1.928 1.542) 3.143 19.033 ( -0.661 -0.049 1.460) 1.603 ======================= Grid point 99 (42/125) ======================= q-point: (-0.44 0.11 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -12.662 -5.957 1.160) 14.041 1.098 ( -7.268 -2.642 -6.793) 10.293 1.450 ( -10.375 -5.436 1.558) 11.816 1.586 ( 1.566 -7.345 -4.891) 8.962 1.720 ( -0.363 2.656 -4.515) 5.251 1.769 ( -0.614 -2.449 7.073) 7.510 2.066 ( 3.037 -4.342 1.902) 5.630 2.169 ( -2.533 2.510 1.426) 3.840 2.257 ( 2.994 3.479 2.395) 5.177 2.453 ( -3.630 4.228 -0.946) 5.652 2.502 ( 2.205 7.749 0.957) 8.114 2.698 ( 1.337 -0.801 -2.424) 2.882 2.746 ( 4.912 -3.411 -1.308) 6.122 2.939 ( -0.433 1.166 0.677) 1.416 3.067 ( 4.607 -1.636 -0.901) 4.971 3.296 ( -2.591 2.372 0.959) 3.641 3.330 ( 1.245 -2.707 1.939) 3.555 3.409 ( -0.649 0.062 1.615) 1.742 3.498 ( -1.664 -0.612 -0.060) 1.774 3.566 ( -0.959 -1.897 3.302) 3.927 3.741 ( 2.870 1.598 3.132) 4.538 3.805 ( -3.015 2.474 1.078) 4.047 3.930 ( 1.078 3.442 3.705) 5.170 4.047 ( 5.175 -0.819 -1.154) 5.365 4.210 ( 2.039 0.361 -6.043) 6.388 4.317 ( -0.000 -1.277 0.141) 1.284 4.574 ( 3.081 2.687 -0.029) 4.088 5.484 ( -7.845 -5.173 -1.868) 9.581 5.696 ( 0.689 2.114 2.657) 3.465 5.892 ( 0.615 -0.578 -1.040) 1.339 10.800 ( 0.014 -0.283 -0.069) 0.292 10.864 ( -0.662 0.291 1.709) 1.856 10.904 ( 0.697 -0.161 -0.809) 1.080 11.042 ( -0.581 0.302 2.045) 2.148 11.101 ( 0.646 -0.247 -0.084) 0.696 11.169 ( 0.830 0.987 1.210) 1.768 11.568 ( -1.149 -0.041 1.165) 1.637 11.778 ( -0.935 -2.879 -3.536) 4.655 12.105 ( 6.452 5.602 -1.879) 8.749 12.434 ( -4.277 -2.194 0.170) 4.810 12.585 ( -2.989 -2.512 -2.611) 4.696 12.954 ( 3.472 1.966 -0.547) 4.027 15.494 ( -0.711 0.326 -0.041) 0.783 15.519 ( -0.075 0.021 -0.497) 0.503 15.575 ( 1.233 -0.120 0.023) 1.239 16.518 ( -0.802 0.331 -1.372) 1.623 16.545 ( -1.869 0.570 0.502) 2.017 16.633 ( 3.275 -0.628 0.533) 3.377 17.918 ( -6.373 -3.337 -0.039) 7.195 18.479 ( 6.311 -1.052 2.818) 6.991 18.676 ( 2.717 6.824 -1.734) 7.547 18.940 ( -0.299 0.478 -0.035) 0.565 18.953 ( -2.429 -2.756 1.610) 4.011 19.053 ( -1.375 -0.854 2.081) 2.636 ======================= Grid point 100 (43/125) ======================= q-point: (-0.33 0.11 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -14.266 -7.493 -0.958) 16.142 0.820 ( -13.907 -6.073 -11.646) 19.129 1.154 ( -18.763 -14.908 -7.512) 25.114 1.601 ( 6.262 3.941 -2.213) 7.722 1.708 ( 2.963 3.803 1.021) 4.928 1.901 ( 1.248 -4.191 7.331) 8.537 2.113 ( 1.605 1.099 0.590) 2.033 2.185 ( -2.914 -0.228 3.494) 4.555 2.320 ( -0.884 -0.008 -0.757) 1.164 2.458 ( 4.286 5.783 1.263) 7.308 2.574 ( 2.445 3.950 0.739) 4.704 2.674 ( -0.812 -0.776 0.481) 1.222 2.727 ( 2.900 -1.489 -2.624) 4.185 2.935 ( 0.233 1.102 -0.997) 1.505 3.093 ( 4.002 -0.717 -0.271) 4.074 3.308 ( -0.136 3.175 0.211) 3.185 3.367 ( 1.383 -2.547 2.285) 3.691 3.443 ( -1.127 -0.751 2.778) 3.090 3.470 ( -2.191 -0.461 -0.931) 2.424 3.597 ( -1.904 -1.783 2.326) 3.495 3.791 ( -0.492 2.552 -1.126) 2.832 3.828 ( 2.875 1.258 1.807) 3.622 4.016 ( 0.929 2.545 3.606) 4.511 4.066 ( 2.951 0.550 -1.093) 3.195 4.141 ( 4.635 0.352 -4.435) 6.424 4.310 ( -1.251 -0.594 0.339) 1.426 4.639 ( 2.088 1.201 3.755) 4.462 5.324 ( -9.652 -5.603 -4.585) 12.065 5.767 ( 0.679 1.767 3.213) 3.729 5.868 ( 0.387 -0.923 -1.740) 2.007 10.818 ( 1.084 0.564 1.501) 1.935 10.886 ( 0.476 0.344 0.341) 0.679 10.892 ( 0.620 0.158 -1.236) 1.392 11.062 ( -1.740 0.847 0.597) 2.026 11.084 ( -0.383 -0.195 -0.729) 0.847 11.172 ( -0.037 -1.891 -1.800) 2.611 11.601 ( -1.371 1.798 3.179) 3.901 11.694 ( 0.425 -2.744 -3.366) 4.363 12.178 ( 5.807 4.699 1.094) 7.550 12.392 ( -3.460 -2.202 -0.035) 4.102 12.495 ( -3.650 -2.620 -2.902) 5.349 12.989 ( 3.906 2.222 -0.225) 4.499 15.489 ( -0.674 0.192 0.052) 0.703 15.505 ( -0.269 -0.430 -0.687) 0.854 15.597 ( 1.846 0.612 0.749) 2.084 16.478 ( -0.760 0.935 -2.902) 3.142 16.542 ( -1.759 -0.160 0.717) 1.906 16.655 ( 2.899 -0.578 -0.600) 3.016 17.836 ( -6.578 -3.611 -1.030) 7.574 18.581 ( 8.263 -2.458 2.104) 8.874 18.716 ( 1.917 9.091 0.145) 9.292 18.928 ( -1.873 0.234 -0.449) 1.940 18.950 ( -1.808 -2.709 1.360) 3.529 19.079 ( -1.720 -1.427 3.212) 3.913 ======================= Grid point 101 (44/125) ======================= q-point: (-0.22 0.11 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -18.245 -0.789 -11.632) 21.652 0.468 ( -9.857 -16.376 -9.646) 21.410 0.900 ( -25.318 -13.959 8.387) 30.103 1.649 ( 8.477 4.865 -1.130) 9.839 1.776 ( 6.161 3.111 -0.264) 6.907 1.976 ( -1.729 0.556 1.400) 2.293 2.104 ( 0.210 -0.716 -1.531) 1.703 2.241 ( -2.959 -2.040 4.148) 5.489 2.243 ( -2.403 -1.370 -2.999) 4.080 2.545 ( 2.984 2.697 -0.176) 4.026 2.630 ( 6.057 3.874 1.214) 7.292 2.669 ( -1.970 -2.603 1.279) 3.506 2.728 ( 1.956 1.041 0.220) 2.226 2.936 ( 2.088 1.289 -0.442) 2.493 3.090 ( 0.112 0.015 -2.326) 2.329 3.332 ( 1.859 3.211 -0.122) 3.712 3.397 ( 1.760 -2.870 0.897) 3.484 3.429 ( -2.310 0.390 -1.493) 2.778 3.462 ( -2.037 -0.981 1.056) 2.495 3.593 ( -2.699 -1.467 0.398) 3.097 3.779 ( 1.293 0.694 -0.724) 1.636 3.873 ( 3.178 1.950 -0.720) 3.797 4.050 ( 3.147 1.827 -3.225) 4.862 4.088 ( 0.981 1.190 2.514) 2.950 4.153 ( 4.145 1.573 0.283) 4.443 4.314 ( -1.980 -1.039 2.223) 3.153 4.722 ( 0.866 0.498 2.378) 2.580 5.148 ( -9.594 -5.507 -2.096) 11.259 5.818 ( 0.865 0.316 0.214) 0.945 5.840 ( -0.322 -0.013 -0.119) 0.344 10.865 ( 1.125 1.149 1.258) 2.041 10.870 ( 0.769 -0.189 0.167) 0.810 10.888 ( 0.289 0.297 -1.109) 1.184 11.042 ( -0.220 0.041 -0.561) 0.604 11.088 ( -0.771 -0.916 -0.784) 1.431 11.109 ( -2.625 -1.222 0.065) 2.897 11.622 ( 0.729 0.549 -1.631) 1.869 11.686 ( -0.529 -0.426 2.647) 2.732 12.264 ( 3.272 2.532 1.887) 4.547 12.358 ( -1.409 -2.378 -0.047) 2.764 12.413 ( -3.473 -1.069 -1.863) 4.084 13.026 ( 3.414 1.976 -0.100) 3.946 15.488 ( -0.329 -0.118 0.260) 0.436 15.492 ( -0.332 -0.287 -0.210) 0.486 15.626 ( 1.673 0.968 0.176) 1.941 16.431 ( -0.464 -0.146 -0.585) 0.760 16.536 ( -1.295 -0.910 0.230) 1.599 16.659 ( 0.875 0.562 -0.065) 1.042 17.755 ( -5.779 -3.319 0.010) 6.664 18.647 ( 6.207 1.530 -0.885) 6.454 18.787 ( 3.500 4.985 0.688) 6.129 18.901 ( -2.272 0.204 -0.681) 2.381 18.941 ( -1.515 -3.328 0.743) 3.732 19.113 ( -0.577 -0.331 0.308) 0.733 ======================= Grid point 102 (45/125) ======================= q-point: (-0.11 0.11 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.208 ( -5.406 -5.051 5.554) 9.251 0.352 ( -5.069 -2.481 14.038) 15.129 0.865 ( -22.432 -12.133 16.435) 30.340 1.753 ( 9.488 5.080 1.875) 10.924 1.797 ( 5.925 0.895 -5.288) 7.992 1.909 ( -3.823 3.688 -7.177) 8.929 2.061 ( 0.376 -0.309 -1.687) 1.756 2.199 ( -2.462 -4.156 2.183) 5.301 2.265 ( -3.978 -2.503 2.118) 5.155 2.555 ( 2.236 3.248 -1.221) 4.128 2.666 ( -1.222 -3.203 1.226) 3.641 2.705 ( 5.750 1.687 -1.696) 6.228 2.757 ( 1.337 1.894 0.437) 2.359 2.959 ( 1.063 1.348 0.365) 1.755 3.020 ( -1.992 -0.236 -3.957) 4.436 3.359 ( 2.430 2.498 -0.623) 3.540 3.384 ( -1.703 0.481 -2.034) 2.696 3.389 ( 0.674 -2.099 -1.336) 2.578 3.449 ( -1.802 -1.079 0.247) 2.115 3.562 ( -2.126 -1.050 -0.821) 2.509 3.790 ( 0.744 0.030 0.258) 0.788 3.871 ( 2.799 1.776 -3.376) 4.731 4.048 ( 4.837 1.687 -1.367) 5.302 4.126 ( 0.097 0.526 0.923) 1.067 4.211 ( 3.954 2.609 1.452) 4.954 4.339 ( -3.006 -1.436 3.551) 4.869 4.680 ( -3.559 -2.100 -5.045) 6.522 5.105 ( -4.970 -2.867 6.096) 8.371 5.800 ( 1.756 0.006 -1.968) 2.638 5.852 ( -1.417 0.128 0.861) 1.663 10.858 ( 0.162 0.601 -2.025) 2.119 10.875 ( 0.569 -0.272 -2.162) 2.252 10.926 ( 3.073 1.899 1.119) 3.781 11.053 ( 1.265 0.186 1.399) 1.896 11.090 ( 1.675 -0.827 3.498) 3.966 11.129 ( -2.232 1.168 2.321) 3.426 11.600 ( 2.085 -0.560 -2.188) 3.073 11.693 ( -4.063 -0.512 0.777) 4.169 12.286 ( -0.321 -0.832 -0.564) 1.056 12.368 ( 1.880 -2.999 1.118) 3.712 12.383 ( -2.450 3.057 1.882) 4.346 13.056 ( 2.410 1.412 -0.226) 2.802 15.488 ( 0.008 -0.234 0.136) 0.271 15.494 ( -0.451 0.002 0.618) 0.765 15.635 ( 1.321 0.873 -0.683) 1.724 16.477 ( 1.799 0.529 2.129) 2.837 16.522 ( -0.638 -1.373 -0.084) 1.517 16.706 ( 2.877 3.209 2.349) 4.909 17.742 ( -1.625 -1.022 3.060) 3.612 18.668 ( 3.075 6.264 -3.382) 7.754 18.823 ( 3.683 -2.045 -0.880) 4.303 18.872 ( -1.482 0.246 -1.044) 1.830 18.912 ( -1.554 -5.581 -0.747) 5.842 19.003 ( -7.848 -1.332 -4.301) 9.048 ======================= Grid point 105 (46/125) ======================= q-point: ( 0.22 0.22 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.188 -2.739 -3.211) 4.224 1.162 ( 0.085 3.059 -1.233) 3.299 1.342 ( 0.660 -1.426 7.746) 7.904 1.375 ( -0.883 -0.014 9.449) 9.490 1.640 ( -0.053 2.483 6.722) 7.166 2.102 ( -3.308 -10.964 -0.693) 11.473 2.144 ( -1.060 -4.415 -5.451) 7.095 2.221 ( 8.947 -1.559 2.235) 9.353 2.264 ( -1.752 0.729 -1.851) 2.651 2.374 ( -3.489 5.935 -2.067) 7.188 2.617 ( -1.592 -2.826 -0.434) 3.272 2.675 ( 6.344 -1.112 -2.020) 6.750 2.723 ( -3.167 4.213 0.108) 5.271 2.859 ( -1.832 -3.855 0.504) 4.298 2.963 ( 0.825 6.019 0.274) 6.081 3.269 ( 0.316 -0.839 1.904) 2.104 3.281 ( -0.304 0.526 1.883) 1.979 3.504 ( -1.394 -2.727 1.668) 3.488 3.519 ( 0.299 -0.330 -1.731) 1.788 3.539 ( 2.354 0.529 -1.189) 2.690 3.547 ( -1.266 1.118 0.605) 1.794 3.666 ( 0.069 2.154 5.487) 5.895 3.964 ( 1.919 -1.147 -4.243) 4.796 4.002 ( -1.843 1.658 -4.565) 5.195 4.315 ( -0.148 -6.401 -0.447) 6.418 4.409 ( -0.098 5.340 -0.790) 5.399 4.488 ( 0.182 4.595 -4.084) 6.150 5.445 ( 0.018 0.417 4.857) 4.875 5.781 ( 0.020 -4.645 0.137) 4.647 5.854 ( -0.030 3.126 0.465) 3.161 10.822 ( -0.112 -1.769 1.360) 2.234 10.849 ( 0.156 1.271 1.411) 1.905 10.902 ( 0.024 0.167 0.838) 0.855 10.966 ( -0.054 -0.213 -1.776) 1.789 11.074 ( -0.304 -2.489 -0.877) 2.656 11.125 ( 0.308 3.055 -1.263) 3.320 11.622 ( 0.010 -5.618 0.595) 5.649 11.743 ( -0.036 7.662 0.959) 7.722 12.159 ( -0.014 -0.064 -4.780) 4.781 12.538 ( 0.198 -3.550 1.899) 4.031 12.597 ( -0.179 2.320 2.339) 3.299 12.981 ( 0.000 -1.014 -2.768) 2.948 15.507 ( -0.113 -0.723 -0.004) 0.732 15.523 ( 0.147 0.842 -0.168) 0.871 15.586 ( -0.030 -0.285 -0.668) 0.727 16.533 ( 0.225 -0.511 1.125) 1.256 16.541 ( -0.233 0.543 1.290) 1.419 16.597 ( 0.005 -0.369 -2.238) 2.268 17.929 ( 0.018 0.422 4.389) 4.410 18.486 ( -0.388 -6.421 -2.999) 7.097 18.606 ( 0.468 6.485 -2.932) 7.132 18.909 ( -0.047 1.220 0.535) 1.333 18.970 ( -0.261 -2.559 1.818) 3.150 19.006 ( 0.211 1.515 1.379) 2.059 ======================= Grid point 106 (47/125) ======================= q-point: (-0.67 0.22 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -1.928 -1.938 -1.533) 3.135 1.161 ( 1.617 4.258 -1.185) 4.707 1.482 ( -6.972 -1.592 11.407) 13.464 1.553 ( 2.545 -1.659 9.657) 10.124 1.749 ( 0.457 -1.576 3.282) 3.669 1.934 ( 0.233 -15.370 -8.147) 17.397 2.050 ( -2.869 -6.232 -0.813) 6.908 2.190 ( -3.772 0.212 -2.449) 4.502 2.337 ( 3.988 6.864 1.303) 8.044 2.354 ( 1.261 3.591 -0.599) 3.852 2.538 ( -4.772 -2.000 -3.171) 6.069 2.691 ( 1.761 1.063 -1.066) 2.317 2.708 ( 1.568 3.359 -2.868) 4.687 2.855 ( 0.806 -3.083 2.106) 3.820 3.006 ( 2.400 3.526 -0.385) 4.283 3.303 ( 0.076 -2.592 1.959) 3.250 3.320 ( -1.435 0.052 2.936) 3.268 3.435 ( -0.212 0.711 -3.973) 4.042 3.510 ( -0.626 -1.756 1.293) 2.268 3.556 ( -1.622 0.273 1.996) 2.586 3.612 ( 2.302 1.802 3.001) 4.190 3.790 ( 0.368 1.203 6.539) 6.659 3.910 ( -2.991 2.979 -1.614) 4.520 3.941 ( 4.484 -1.202 -3.162) 5.617 4.274 ( 0.983 -5.538 -2.207) 6.042 4.371 ( -4.909 5.255 -2.754) 7.701 4.477 ( 5.332 6.040 -2.731) 8.507 5.536 ( -0.205 0.001 5.379) 5.383 5.740 ( -2.322 -4.690 -1.114) 5.351 5.875 ( 1.071 2.178 -0.328) 2.450 10.826 ( -0.821 -1.940 0.234) 2.120 10.873 ( -1.755 1.363 0.302) 2.243 10.884 ( 2.239 -0.133 -1.219) 2.553 11.002 ( -0.237 -0.253 4.329) 4.343 11.062 ( -0.206 -1.570 1.121) 1.940 11.130 ( 1.119 2.590 -0.488) 2.864 11.599 ( -1.103 -4.431 0.402) 4.584 11.799 ( 0.967 6.873 0.580) 6.964 12.062 ( 1.397 0.795 -6.782) 6.970 12.532 ( -2.247 -3.872 0.625) 4.520 12.639 ( 0.385 1.324 0.906) 1.650 12.926 ( 0.510 -0.815 -2.909) 3.063 15.503 ( -0.292 -0.194 0.077) 0.359 15.523 ( 0.314 0.534 -0.454) 0.768 15.573 ( -0.129 -0.455 -0.546) 0.723 16.547 ( 0.167 -0.575 -0.259) 0.652 16.559 ( 0.433 -0.524 1.028) 1.233 16.574 ( -0.405 0.697 -0.090) 0.812 18.006 ( -1.763 -0.238 4.717) 5.042 18.402 ( -0.154 -5.479 -2.445) 6.002 18.605 ( 2.786 6.622 -2.459) 7.593 18.925 ( 0.281 1.563 0.403) 1.639 18.984 ( -1.306 -2.651 1.956) 3.544 19.039 ( 0.028 0.826 1.584) 1.787 ======================= Grid point 107 (48/125) ======================= q-point: (-0.56 0.22 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -5.017 -2.163 0.341) 5.474 1.166 ( -1.828 1.119 -1.207) 2.460 1.559 ( -0.371 -13.473 -8.223) 15.789 1.619 ( -8.405 -5.890 5.670) 11.725 1.712 ( 1.312 -3.265 6.731) 7.595 1.829 ( -5.313 -2.690 -0.247) 5.960 2.030 ( 1.015 -3.505 2.080) 4.200 2.164 ( 1.236 0.867 1.457) 2.098 2.319 ( -8.441 9.677 -1.739) 12.958 2.428 ( 7.818 6.409 -3.784) 10.794 2.480 ( 0.952 -0.711 1.511) 1.922 2.666 ( 1.592 2.272 -3.379) 4.372 2.693 ( 0.791 -1.023 -0.949) 1.604 2.915 ( 4.214 -0.811 2.873) 5.164 3.001 ( 1.683 -0.338 -2.934) 3.400 3.294 ( 1.153 -3.382 -1.031) 3.719 3.356 ( -2.645 0.606 2.897) 3.969 3.418 ( -0.456 1.117 1.283) 1.761 3.518 ( -0.677 -0.979 0.593) 1.330 3.588 ( -1.619 -0.856 3.407) 3.869 3.689 ( 3.141 1.618 2.259) 4.194 3.859 ( -3.147 0.026 1.659) 3.558 3.914 ( 2.155 2.018 0.951) 3.102 3.962 ( 3.391 0.688 2.088) 4.041 4.182 ( 1.061 -0.788 -6.902) 7.027 4.337 ( -1.812 1.748 -0.147) 2.522 4.522 ( 3.067 5.960 0.699) 6.740 5.589 ( -4.614 -4.480 1.114) 6.527 5.692 ( -0.207 -0.491 1.153) 1.270 5.876 ( 1.101 1.116 -1.475) 2.153 10.805 ( -0.496 -0.705 -0.598) 1.049 10.872 ( -0.230 0.352 0.391) 0.574 10.889 ( 0.862 0.207 -0.496) 1.016 11.065 ( -2.067 -0.286 3.797) 4.332 11.088 ( 0.919 -0.882 1.178) 1.735 11.149 ( 1.534 0.752 0.624) 1.818 11.588 ( -1.061 -2.701 1.659) 3.343 11.804 ( -2.390 1.578 -3.071) 4.199 12.003 ( 5.921 5.958 -3.447) 9.079 12.493 ( -2.589 -4.472 -0.449) 5.187 12.632 ( -2.761 -0.173 -1.016) 2.947 12.897 ( 3.175 0.553 -1.842) 3.712 15.505 ( -0.436 0.438 0.285) 0.681 15.518 ( 0.204 0.072 -0.530) 0.572 15.562 ( 0.183 -0.543 -0.303) 0.648 16.530 ( -0.462 -0.627 -1.061) 1.316 16.573 ( -1.185 0.846 0.389) 1.507 16.584 ( 2.072 -0.569 0.536) 2.215 18.032 ( -7.087 -2.206 2.509) 7.835 18.377 ( 5.679 -3.728 -0.011) 6.794 18.626 ( 3.221 7.352 -1.728) 8.211 18.940 ( 0.129 1.757 0.146) 1.768 18.990 ( -2.038 -2.916 1.809) 3.991 19.069 ( -0.531 0.110 1.923) 1.998 ======================= Grid point 108 (49/125) ======================= q-point: (-0.44 0.22 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -9.584 -5.286 -2.960) 11.339 1.006 ( -9.680 -11.742 -8.872) 17.615 1.353 ( 1.989 -5.017 -5.535) 7.730 1.605 ( -12.143 -1.627 -0.994) 12.292 1.708 ( -3.865 0.039 1.247) 4.062 1.881 ( 0.878 -4.768 7.881) 9.253 2.086 ( 1.914 2.478 2.443) 3.971 2.221 ( -0.616 0.818 1.036) 1.457 2.299 ( 1.564 2.386 1.115) 3.063 2.423 ( 0.740 8.362 -3.462) 9.081 2.547 ( 2.178 2.094 2.406) 3.862 2.646 ( 6.709 -0.965 -2.629) 7.270 2.681 ( -0.900 -0.769 0.418) 1.256 2.939 ( -0.275 -0.773 -3.521) 3.615 3.001 ( 5.721 0.749 1.412) 5.940 3.282 ( 2.926 -1.663 -0.913) 3.487 3.382 ( -2.619 0.364 2.292) 3.499 3.455 ( -0.390 -0.648 2.725) 2.828 3.504 ( -1.650 -0.219 -0.772) 1.834 3.629 ( -1.946 -1.452 3.205) 4.021 3.759 ( 4.093 0.835 1.713) 4.515 3.824 ( -2.341 1.156 -3.227) 4.151 3.970 ( 5.099 -2.332 2.186) 6.018 4.033 ( 0.559 3.379 1.678) 3.814 4.088 ( 1.466 1.265 -3.942) 4.391 4.335 ( -1.483 -0.177 0.900) 1.744 4.607 ( 1.601 5.002 3.806) 6.486 5.470 ( -7.775 -6.121 -3.902) 10.637 5.758 ( 0.493 1.321 3.857) 4.106 5.854 ( 1.145 0.177 -2.316) 2.590 10.805 ( 0.493 0.362 0.840) 1.039 10.876 ( 0.538 0.059 -0.629) 0.830 10.885 ( 0.317 0.190 -0.261) 0.453 11.081 ( -0.093 -0.064 -1.767) 1.771 11.102 ( -1.970 0.278 2.327) 3.062 11.169 ( 0.131 -2.123 0.435) 2.171 11.622 ( -0.726 -1.133 4.110) 4.325 11.700 ( -1.508 -0.153 -5.617) 5.818 12.079 ( 6.055 7.282 1.632) 9.610 12.435 ( -1.746 -5.583 -1.318) 5.997 12.570 ( -5.383 -0.380 -1.718) 5.663 12.915 ( 4.965 1.592 -0.814) 5.277 15.504 ( -0.747 0.325 -0.024) 0.815 15.508 ( -0.363 -0.381 -0.474) 0.709 15.570 ( 1.342 0.119 0.616) 1.482 16.491 ( -0.703 -0.276 -2.548) 2.657 16.568 ( -1.131 0.446 -0.185) 1.230 16.613 ( 1.907 -0.457 1.081) 2.239 17.968 ( -9.414 -3.324 0.130) 9.985 18.442 ( 8.783 -2.577 1.500) 9.276 18.668 ( 3.567 7.766 -0.738) 8.577 18.947 ( -0.515 2.008 -0.345) 2.101 18.986 ( -2.503 -3.293 1.494) 4.398 19.099 ( -0.679 -0.514 2.122) 2.287 ======================= Grid point 109 (50/125) ======================= q-point: (-0.33 0.22 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -9.765 -19.378 -10.259) 24.002 0.761 ( -16.167 2.699 -7.467) 18.011 1.274 ( -16.399 -2.477 4.050) 17.072 1.524 ( 3.883 1.031 -2.335) 4.647 1.710 ( 0.475 -0.537 0.299) 0.777 1.994 ( -0.432 -2.847 5.575) 6.275 2.115 ( -1.338 4.445 -1.648) 4.925 2.217 ( 4.934 1.283 -3.764) 6.337 2.295 ( -3.314 -0.930 -0.698) 3.512 2.479 ( 5.031 4.139 2.751) 7.072 2.580 ( 0.476 -1.475 -0.360) 1.592 2.678 ( 3.607 0.348 1.070) 3.779 2.698 ( 0.073 -1.347 2.306) 2.672 2.886 ( 3.126 0.149 -2.695) 4.130 3.060 ( 2.698 3.304 -0.149) 4.268 3.290 ( 3.530 -0.181 -0.739) 3.611 3.390 ( -1.299 -0.398 0.348) 1.402 3.469 ( -2.176 0.213 -1.219) 2.503 3.487 ( -0.833 -1.210 1.620) 2.187 3.642 ( -3.020 -1.294 1.131) 3.475 3.745 ( 1.836 0.973 -4.394) 4.861 3.817 ( 3.652 1.184 0.047) 3.840 4.023 ( 0.162 1.639 -2.397) 2.908 4.046 ( 4.570 -1.777 2.771) 5.632 4.107 ( 1.017 2.081 1.600) 2.815 4.347 ( -1.760 -1.801 2.646) 3.653 4.709 ( 0.600 2.596 3.756) 4.605 5.307 ( -9.225 -4.545 -3.016) 10.717 5.801 ( 1.116 0.480 -1.800) 2.171 5.843 ( 0.091 0.217 1.829) 1.844 10.839 ( 1.514 0.497 1.365) 2.098 10.865 ( 0.079 0.270 -0.382) 0.474 10.883 ( 0.250 -0.071 -0.361) 0.445 11.044 ( -0.085 -0.325 -1.635) 1.669 11.101 ( -0.824 0.046 -1.793) 1.974 11.155 ( -2.754 -1.040 1.379) 3.250 11.614 ( 0.172 0.203 -3.564) 3.574 11.696 ( -0.680 -0.969 5.019) 5.157 12.199 ( 4.441 5.719 3.137) 7.891 12.368 ( -0.141 -6.791 -2.027) 7.088 12.497 ( -6.311 0.966 -1.004) 6.463 12.956 ( 5.125 1.792 -0.305) 5.438 15.494 ( -0.111 -0.645 -0.441) 0.789 15.500 ( -0.967 0.157 0.298) 1.024 15.598 ( 1.725 0.612 0.551) 1.912 16.442 ( -0.751 -0.315 -1.461) 1.673 16.552 ( -0.633 -0.275 -0.766) 1.031 16.646 ( 0.678 0.529 1.430) 1.669 17.875 ( -8.851 -3.061 -0.025) 9.366 18.525 ( 8.496 -0.051 0.396) 8.505 18.723 ( 4.256 5.031 -0.608) 6.618 18.936 ( -1.623 2.040 -0.965) 2.780 18.972 ( -2.408 -3.511 1.033) 4.381 19.120 ( -0.291 -0.700 0.591) 0.961 ======================= Grid point 110 (51/125) ======================= q-point: (-0.22 0.22 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( -12.416 2.082 3.277) 13.009 0.532 ( -16.145 2.737 0.180) 16.377 1.219 ( -19.650 -6.305 9.442) 22.694 1.585 ( 10.501 4.513 0.520) 11.442 1.711 ( 3.350 -0.730 -2.195) 4.071 1.966 ( -2.692 -0.491 -6.997) 7.513 2.074 ( -2.170 4.820 -2.733) 5.951 2.217 ( 0.707 -2.737 2.406) 3.712 2.276 ( 1.895 -0.353 -0.793) 2.085 2.541 ( 0.465 -2.385 -0.679) 2.523 2.579 ( 8.463 0.076 -1.485) 8.592 2.694 ( -2.910 -1.442 1.047) 3.412 2.750 ( 0.670 -0.973 3.264) 3.471 2.912 ( 4.282 1.703 0.731) 4.666 3.055 ( -1.791 4.938 -3.325) 6.217 3.309 ( 3.766 1.179 -0.999) 4.071 3.377 ( 0.255 -0.909 -0.517) 1.076 3.422 ( -2.477 0.068 -2.464) 3.494 3.480 ( -1.960 -1.132 0.089) 2.265 3.608 ( -3.337 -1.097 -1.069) 3.671 3.737 ( 5.641 1.275 -1.220) 5.911 3.825 ( 2.230 1.706 -2.616) 3.838 3.995 ( 1.079 0.446 -1.591) 1.973 4.111 ( 2.160 -0.486 1.675) 2.776 4.158 ( 2.443 1.641 1.730) 3.413 4.383 ( -2.257 -3.443 4.665) 6.221 4.728 ( -2.132 -2.441 -1.550) 3.593 5.216 ( -8.054 -0.322 2.833) 8.543 5.766 ( 2.273 -0.190 -3.048) 3.807 5.875 ( -1.204 0.351 1.594) 2.028 10.847 ( 1.250 -1.179 -1.427) 2.234 10.867 ( 0.122 1.399 -1.286) 1.904 10.896 ( 0.747 0.354 1.394) 1.621 11.034 ( 0.985 -0.164 0.318) 1.048 11.079 ( -0.045 0.046 1.267) 1.269 11.160 ( -1.383 1.199 0.493) 1.896 11.575 ( 0.944 -0.258 -1.764) 2.017 11.752 ( -3.090 -1.451 3.429) 4.839 12.286 ( 0.365 1.193 0.135) 1.255 12.320 ( 3.504 -4.511 0.606) 5.744 12.452 ( -5.500 2.652 0.808) 6.159 13.000 ( 4.456 1.506 -0.212) 4.708 15.487 ( 0.028 -0.443 -0.027) 0.445 15.503 ( -0.581 0.049 0.652) 0.875 15.612 ( 1.371 0.452 -0.541) 1.542 16.452 ( 1.054 0.191 2.136) 2.389 16.532 ( -0.438 -0.675 -0.743) 1.095 16.679 ( 0.877 1.567 1.158) 2.137 17.810 ( -6.482 -2.001 1.498) 6.947 18.585 ( 6.982 4.279 -2.420) 8.538 18.755 ( 4.234 -0.688 -0.574) 4.328 18.907 ( -2.341 1.716 -1.496) 3.265 18.947 ( -2.611 -3.599 0.422) 4.466 19.084 ( -2.770 -1.066 -2.710) 4.019 ======================= Grid point 111 (52/125) ======================= q-point: (-0.11 0.22 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -5.088 4.169 10.933) 12.759 0.688 ( -4.743 8.863 16.619) 19.423 1.231 ( -14.462 -5.609 11.364) 19.229 1.646 ( 1.394 -1.628 -5.918) 6.294 1.753 ( 10.297 6.576 2.520) 12.475 1.769 ( -1.857 -0.362 -9.916) 10.095 2.057 ( 0.700 3.822 -0.697) 3.947 2.220 ( -0.664 -5.312 0.493) 5.376 2.308 ( 0.139 1.562 2.124) 2.640 2.507 ( 4.164 -5.049 -2.827) 7.129 2.615 ( 7.542 -0.276 -1.880) 7.778 2.682 ( -3.815 -0.590 1.401) 4.107 2.778 ( -2.461 -0.188 0.502) 2.519 2.959 ( 1.858 0.037 0.707) 1.988 2.977 ( -3.525 5.967 -4.959) 8.522 3.319 ( 2.788 0.974 -1.959) 3.544 3.346 ( -1.547 -1.642 -2.808) 3.602 3.383 ( 0.177 0.738 0.640) 0.993 3.464 ( -1.648 -0.695 0.404) 1.834 3.553 ( -2.138 -0.920 -1.628) 2.841 3.761 ( 3.287 1.375 -2.341) 4.264 3.785 ( 1.354 0.782 -4.260) 4.538 4.004 ( 4.577 -0.199 0.164) 4.584 4.138 ( 0.473 0.239 0.465) 0.705 4.215 ( 3.559 2.224 0.856) 4.283 4.424 ( -3.385 -4.507 4.332) 7.109 4.634 ( -5.027 -3.746 -2.368) 6.702 5.247 ( -5.122 1.493 5.324) 7.537 5.742 ( 3.378 0.060 -2.143) 4.001 5.879 ( -2.128 0.006 0.430) 2.172 10.823 ( 0.829 -0.792 -1.498) 1.886 10.835 ( -0.487 0.863 -2.001) 2.233 10.910 ( 0.478 0.303 -0.918) 1.079 11.064 ( 2.334 0.723 0.602) 2.517 11.130 ( 1.124 -1.379 3.086) 3.562 11.153 ( 0.227 1.963 -1.652) 2.575 11.558 ( 1.176 0.344 -1.094) 1.643 11.755 ( -5.840 -2.198 2.496) 6.720 12.264 ( 0.933 -1.494 -0.960) 2.006 12.369 ( 2.218 -1.847 2.192) 3.624 12.465 ( -3.234 3.319 2.839) 5.435 13.031 ( 3.338 0.927 -0.570) 3.511 15.488 ( 0.239 -0.253 0.201) 0.402 15.512 ( -0.550 0.027 0.820) 0.988 15.614 ( 1.380 0.231 -0.678) 1.555 16.490 ( 0.626 0.922 0.453) 1.203 16.519 ( -0.289 -0.854 0.138) 0.912 16.704 ( 2.214 1.092 -0.927) 2.637 17.801 ( -3.098 -0.818 2.240) 3.909 18.585 ( 5.056 4.125 -4.893) 8.155 18.780 ( 2.276 -3.485 0.873) 4.253 18.867 ( -1.608 1.675 -1.426) 2.725 18.916 ( -2.892 -2.023 0.400) 3.552 19.014 ( -4.068 -0.831 -0.748) 4.219 ======================= Grid point 114 (53/125) ======================= q-point: ( 0.22 -0.67 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 2.517 -2.959 -1.581) 4.194 1.164 ( -1.743 4.420 -1.204) 4.902 1.459 ( 6.254 -4.329 10.508) 12.972 1.579 ( -1.965 1.582 10.323) 10.626 1.759 ( -1.110 0.105 5.153) 5.272 1.944 ( -1.785 -15.846 -10.907) 19.320 2.100 ( -2.356 -3.462 -0.607) 4.232 2.163 ( 9.281 4.146 0.571) 10.181 2.252 ( -0.928 -2.830 0.140) 2.981 2.388 ( -1.720 3.641 -3.016) 5.031 2.553 ( 8.331 -3.087 -1.763) 9.058 2.627 ( -4.803 0.415 -1.096) 4.944 2.749 ( -2.115 5.060 -2.181) 5.901 2.886 ( -2.249 -0.361 1.015) 2.494 3.000 ( -2.416 3.754 0.230) 4.470 3.297 ( 0.593 -2.655 2.129) 3.454 3.330 ( 0.527 0.504 3.227) 3.308 3.429 ( 0.609 -0.053 -4.523) 4.564 3.517 ( 0.097 -1.139 0.641) 1.311 3.558 ( 2.026 0.707 3.257) 3.900 3.606 ( -2.297 1.048 2.533) 3.577 3.790 ( -0.430 1.287 6.772) 6.906 3.861 ( 2.900 -3.070 -2.935) 5.143 3.984 ( -3.757 3.822 -2.180) 5.786 4.272 ( -0.642 -5.179 -2.237) 5.678 4.390 ( 5.024 6.698 -2.424) 8.716 4.463 ( -5.975 4.528 -2.983) 8.068 5.537 ( 0.108 0.167 5.493) 5.497 5.736 ( 2.618 -5.186 -1.360) 5.966 5.878 ( -1.248 2.467 -0.210) 2.772 10.838 ( -0.554 -2.195 0.458) 2.310 10.846 ( 2.164 0.136 -0.294) 2.188 10.900 ( -1.396 1.568 -0.881) 2.277 10.999 ( 0.420 -0.630 4.100) 4.169 11.072 ( -0.398 -0.786 1.633) 1.856 11.121 ( -0.467 1.780 -0.751) 1.988 11.598 ( 1.126 -4.397 0.300) 4.549 11.804 ( -1.401 7.626 0.972) 7.815 12.058 ( -1.058 0.136 -7.099) 7.179 12.528 ( 2.414 -4.176 0.672) 4.870 12.643 ( -0.604 1.720 0.905) 2.035 12.926 ( -0.509 -0.821 -2.910) 3.066 15.503 ( 0.355 -0.270 -0.062) 0.450 15.520 ( -0.155 0.207 -0.384) 0.463 15.576 ( -0.081 -0.069 -0.472) 0.484 16.539 ( 0.248 -1.297 0.141) 1.328 16.557 ( 0.093 -0.570 -0.353) 0.676 16.583 ( -0.556 1.499 0.894) 1.831 18.004 ( 1.885 -0.494 4.595) 4.991 18.416 ( -0.787 -4.337 -1.896) 4.799 18.591 ( -1.742 5.363 -2.871) 6.327 18.926 ( -0.306 1.592 0.350) 1.658 18.989 ( 0.947 -2.126 1.981) 3.057 19.036 ( 0.151 0.612 1.589) 1.709 ======================= Grid point 115 (54/125) ======================= q-point: ( 0.33 -0.67 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.695 -2.469 0.509) 2.614 1.172 ( 0.645 4.861 -0.060) 4.904 1.586 ( -2.555 -21.786 -13.316) 25.661 1.660 ( 3.005 -4.245 8.462) 9.933 1.745 ( -4.275 0.737 10.112) 11.004 1.872 ( 1.543 -3.381 4.982) 6.215 2.052 ( -3.230 -2.823 -0.184) 4.294 2.175 ( -3.126 0.588 -2.405) 3.988 2.276 ( 7.938 5.416 -0.430) 9.620 2.399 ( 4.390 3.464 0.393) 5.605 2.488 ( -4.676 3.398 -6.430) 8.647 2.631 ( 2.809 0.796 -0.071) 2.920 2.700 ( -2.020 2.777 -2.279) 4.121 2.876 ( -1.027 -3.288 1.152) 3.632 2.997 ( -0.581 2.070 -1.314) 2.519 3.285 ( 0.112 -4.197 -1.651) 4.511 3.390 ( -1.453 0.192 3.369) 3.674 3.414 ( 1.323 2.018 1.245) 2.715 3.522 ( 0.037 -1.216 0.488) 1.311 3.618 ( -2.357 -0.144 2.916) 3.752 3.646 ( 2.162 1.409 2.155) 3.362 3.839 ( 4.161 -3.349 -0.455) 5.361 3.902 ( -0.935 0.261 4.067) 4.181 3.967 ( -2.374 4.492 1.588) 5.323 4.177 ( -0.308 -0.541 -6.643) 6.672 4.362 ( -0.708 1.922 -2.069) 2.912 4.487 ( 0.665 7.753 2.417) 8.148 5.633 ( -1.156 -0.939 4.935) 5.155 5.686 ( 1.709 -5.902 -2.224) 6.535 5.869 ( -0.485 2.841 -1.604) 3.298 10.812 ( -0.172 -0.876 -1.152) 1.458 10.865 ( 0.605 -0.133 0.439) 0.760 10.889 ( -0.548 0.987 -0.459) 1.219 11.069 ( 1.199 -1.638 2.677) 3.360 11.105 ( -2.339 -0.080 3.194) 3.960 11.124 ( 1.345 0.609 0.677) 1.624 11.595 ( 0.341 -4.503 1.439) 4.740 11.858 ( -3.505 7.922 0.826) 8.702 11.921 ( 3.185 2.093 -7.496) 8.409 12.512 ( 0.140 -5.837 -0.854) 5.901 12.662 ( -0.274 2.040 0.340) 2.087 12.867 ( 0.007 -0.602 -2.916) 2.978 15.505 ( 0.439 -0.173 -0.056) 0.475 15.516 ( -0.044 0.223 -0.096) 0.247 15.566 ( -0.402 -0.173 -0.381) 0.580 16.528 ( 0.672 -1.788 -1.133) 2.221 16.557 ( 0.552 -0.679 0.566) 1.042 16.598 ( -1.245 1.964 0.535) 2.386 18.101 ( 0.749 -1.036 5.084) 5.242 18.336 ( -2.453 -5.380 -2.336) 6.358 18.581 ( 1.968 7.220 -2.057) 7.761 18.938 ( 0.074 2.159 0.140) 2.164 19.014 ( -0.579 -2.817 1.996) 3.501 19.070 ( 0.280 0.522 1.759) 1.856 ======================= Grid point 117 (55/125) ======================= q-point: (-0.56 0.33 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -2.327 -2.389 -1.189) 3.541 1.168 ( -10.811 -14.626 -8.226) 19.961 1.230 ( 9.307 -4.526 -6.084) 12.005 1.762 ( -2.970 -2.292 0.213) 3.757 1.850 ( -8.926 -1.283 7.642) 11.820 1.897 ( -4.135 -4.189 4.499) 7.409 2.039 ( 3.342 -0.506 -0.367) 3.400 2.184 ( 3.657 3.483 1.115) 5.172 2.301 ( -0.205 4.175 -4.576) 6.198 2.419 ( 0.779 6.403 1.614) 6.649 2.474 ( 5.462 3.806 0.955) 6.725 2.579 ( -1.087 5.681 -5.839) 8.219 2.705 ( -0.889 -3.875 1.744) 4.341 2.893 ( 4.260 -4.949 0.647) 6.562 2.969 ( -0.708 0.922 -0.891) 1.465 3.245 ( 1.238 -2.785 -1.256) 3.296 3.424 ( -2.219 0.864 1.999) 3.109 3.458 ( -0.043 -0.019 1.997) 1.998 3.519 ( -0.220 -0.492 -0.364) 0.650 3.654 ( -0.843 -1.319 3.289) 3.642 3.698 ( 2.508 0.360 1.261) 2.830 3.860 ( 1.338 -2.556 -2.322) 3.703 3.894 ( 0.453 0.450 0.140) 0.654 4.034 ( -0.329 3.959 2.569) 4.731 4.080 ( -0.084 1.590 -3.018) 3.413 4.352 ( -0.441 -1.047 0.760) 1.367 4.590 ( 0.517 7.885 4.390) 9.040 5.564 ( -3.335 -7.182 -3.798) 8.782 5.747 ( 0.995 0.269 4.783) 4.893 5.839 ( 0.258 2.208 -2.990) 3.726 10.801 ( 0.113 0.198 0.219) 0.316 10.870 ( 0.149 0.044 -0.131) 0.203 10.882 ( 0.087 0.327 -0.458) 0.569 11.076 ( 0.498 -1.207 -1.341) 1.872 11.122 ( -0.206 0.827 0.530) 1.004 11.176 ( -1.021 -1.860 3.552) 4.138 11.620 ( 0.736 -3.755 3.215) 4.997 11.743 ( -3.129 1.209 -6.694) 7.487 11.992 ( 4.082 9.381 2.910) 10.636 12.453 ( -0.593 -7.161 -2.054) 7.474 12.654 ( -4.029 1.402 -0.423) 4.287 12.838 ( 3.708 0.664 -1.817) 4.182 15.502 ( 0.429 -0.575 -0.460) 0.852 15.522 ( -0.537 0.598 0.626) 1.019 15.557 ( 0.040 -0.132 -0.078) 0.159 16.494 ( 0.401 -1.661 -2.175) 2.766 16.570 ( 0.431 0.330 -0.117) 0.555 16.606 ( -0.788 1.003 1.165) 1.728 18.131 ( -9.538 -2.671 2.062) 10.118 18.300 ( 7.722 -3.453 -0.344) 8.466 18.611 ( 3.175 7.321 -1.005) 8.043 18.950 ( 0.063 2.480 -0.249) 2.493 19.022 ( -1.706 -3.257 1.664) 4.036 19.103 ( 0.114 -0.064 1.573) 1.579 ======================= Grid point 118 (56/125) ======================= q-point: (-0.44 0.33 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -8.612 -18.307 -9.755) 22.461 0.961 ( -8.181 -0.309 -3.438) 8.880 1.282 ( 6.980 4.757 -0.050) 8.447 1.635 ( -9.872 2.174 -5.375) 11.448 1.809 ( -11.415 -6.225 2.711) 13.281 2.001 ( -0.875 -2.360 7.356) 7.775 2.075 ( 9.484 2.322 -2.904) 10.187 2.164 ( -1.517 6.466 -4.909) 8.259 2.309 ( 2.893 -2.273 0.116) 3.681 2.450 ( -3.132 8.885 -2.992) 9.884 2.547 ( 4.355 -0.904 1.637) 4.740 2.585 ( 5.963 2.975 2.455) 7.102 2.697 ( -0.613 -4.049 1.958) 4.539 2.871 ( -0.660 -2.537 -1.365) 2.956 3.008 ( 3.725 1.059 1.982) 4.350 3.235 ( 2.625 -1.974 -0.557) 3.331 3.425 ( -2.553 1.006 -0.358) 2.768 3.475 ( 1.053 -0.596 -0.513) 1.314 3.507 ( -1.516 -0.380 0.567) 1.663 3.679 ( -1.325 -1.972 0.964) 2.564 3.745 ( 1.089 1.071 -2.782) 3.174 3.756 ( 0.797 0.543 -2.072) 2.285 3.962 ( 5.006 -1.669 3.154) 6.148 4.037 ( -1.523 2.373 -1.144) 3.043 4.099 ( 0.338 1.321 1.652) 2.142 4.367 ( -0.692 -3.010 2.706) 4.107 4.705 ( -0.036 4.983 4.327) 6.599 5.432 ( -5.685 -5.069 -3.117) 8.230 5.786 ( 0.489 1.371 -3.433) 3.729 5.835 ( 0.787 0.219 3.303) 3.402 10.820 ( 0.868 0.270 0.960) 1.322 10.866 ( -0.146 0.297 -0.203) 0.389 10.880 ( 0.210 -0.123 0.067) 0.253 11.044 ( 0.161 -0.881 -1.680) 1.904 11.114 ( -0.717 0.985 -1.666) 2.064 11.193 ( -1.672 -0.845 0.540) 1.950 11.615 ( -0.193 -0.545 -3.529) 3.577 11.708 ( -0.784 -1.632 5.262) 5.565 12.129 ( 3.733 7.910 4.058) 9.642 12.370 ( -0.218 -8.176 -2.765) 8.633 12.604 ( -6.515 1.378 -0.604) 6.687 12.864 ( 5.877 1.594 -0.684) 6.128 15.493 ( 0.116 -0.739 -0.344) 0.823 15.521 ( -1.427 0.185 0.116) 1.444 15.572 ( 1.437 0.374 0.638) 1.616 16.452 ( -0.407 -0.907 -1.545) 1.837 16.558 ( -0.171 1.033 -1.422) 1.766 16.638 ( 0.294 0.187 1.920) 1.951 18.038 ( -10.987 -2.939 -0.143) 11.375 18.374 ( 9.960 -1.008 0.419) 10.020 18.657 ( 3.509 5.278 -0.529) 6.360 18.952 ( -0.361 2.681 -0.864) 2.839 19.013 ( -2.411 -3.562 1.179) 4.459 19.122 ( 0.048 -0.746 0.645) 0.987 ======================= Grid point 119 (57/125) ======================= q-point: (-0.33 0.33 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -10.561 -0.404 5.362) 11.852 0.800 ( -14.573 3.824 -4.353) 15.682 1.381 ( 6.751 6.879 1.711) 9.790 1.492 ( -5.780 -0.559 -3.159) 6.611 1.745 ( -7.923 -4.441 1.901) 9.280 1.985 ( 0.775 -1.184 -7.340) 7.475 2.124 ( -3.082 5.758 -1.544) 6.711 2.160 ( 5.777 3.015 2.952) 7.154 2.255 ( 0.202 -1.288 -4.136) 4.337 2.448 ( 6.260 1.770 -3.014) 7.170 2.526 ( 1.156 -6.717 -2.505) 7.262 2.706 ( 4.092 1.874 4.287) 6.216 2.746 ( -1.126 -2.903 3.795) 4.909 2.866 ( -0.370 1.106 2.415) 2.682 3.063 ( 1.304 3.342 -0.076) 3.588 3.244 ( 3.692 -1.050 -0.743) 3.909 3.389 ( -1.650 0.972 -1.504) 2.435 3.450 ( -0.608 0.001 -2.556) 2.628 3.506 ( -1.126 -1.053 0.340) 1.579 3.660 ( 2.725 0.571 -2.320) 3.624 3.666 ( -3.682 -0.892 -1.128) 3.953 3.783 ( 3.132 1.045 -1.580) 3.660 4.000 ( -0.609 -0.523 -1.605) 1.795 4.056 ( 3.418 0.194 2.540) 4.263 4.134 ( 0.876 0.947 1.448) 1.940 4.410 ( -1.088 -4.752 5.219) 7.142 4.754 ( -1.230 -1.893 0.524) 2.318 5.345 ( -7.128 0.464 1.017) 7.215 5.731 ( 1.847 0.388 -4.134) 4.544 5.888 ( -0.299 0.171 2.168) 2.195 10.828 ( 0.975 -1.008 -0.841) 1.635 10.867 ( -0.077 0.891 -0.427) 0.991 10.891 ( 0.135 -0.008 1.088) 1.096 11.024 ( 0.247 0.423 -0.574) 0.755 11.085 ( -0.673 0.529 -0.199) 0.879 11.173 ( -0.176 1.125 -1.840) 2.164 11.569 ( -0.160 -0.540 -1.400) 1.509 11.794 ( -2.048 -2.049 6.101) 6.754 12.251 ( 3.599 2.371 2.841) 5.161 12.288 ( 0.250 -5.121 -2.087) 5.535 12.553 ( -6.587 2.192 0.157) 6.944 12.914 ( 5.898 1.726 -0.229) 6.149 15.487 ( -0.058 -0.539 -0.025) 0.543 15.515 ( -0.891 -0.071 0.360) 0.963 15.591 ( 1.297 0.227 -0.078) 1.320 16.443 ( 0.056 0.227 1.053) 1.078 16.536 ( -0.126 0.633 -1.276) 1.430 16.668 ( 0.637 0.512 0.738) 1.101 17.942 ( -9.376 -2.103 0.300) 9.614 18.449 ( 9.455 1.976 -1.501) 9.776 18.693 ( 3.233 1.128 -0.217) 3.431 18.937 ( -1.181 2.630 -1.573) 3.284 18.992 ( -2.725 -3.499 0.779) 4.503 19.111 ( -0.889 -1.334 -1.048) 1.915 ======================= Grid point 120 (58/125) ======================= q-point: (-0.22 0.33 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -15.038 9.197 1.980) 17.738 0.786 ( -7.127 8.780 14.281) 18.216 1.395 ( -4.790 -0.958 -0.714) 4.937 1.556 ( 11.565 7.256 4.010) 14.229 1.694 ( -6.513 -3.586 0.813) 7.479 1.810 ( -2.072 -1.465 -10.585) 10.885 2.082 ( -3.657 6.501 -3.329) 8.168 2.192 ( 5.599 -0.321 -3.781) 6.763 2.274 ( 1.442 1.163 3.369) 3.845 2.434 ( 6.640 -6.057 -3.314) 9.579 2.485 ( 5.413 -2.888 -1.737) 6.376 2.769 ( -4.230 -1.926 3.512) 5.826 2.791 ( -0.062 -0.147 2.304) 2.309 2.925 ( 1.372 1.284 2.219) 2.907 3.039 ( -3.208 5.685 -4.032) 7.673 3.258 ( 4.269 0.169 -1.130) 4.420 3.369 ( -1.156 -1.715 -1.348) 2.469 3.390 ( -0.822 1.010 -1.398) 1.910 3.491 ( -1.454 -0.553 -0.136) 1.562 3.598 ( -3.215 -1.254 -2.377) 4.190 3.692 ( 4.107 2.109 0.542) 4.649 3.760 ( 1.971 0.663 -3.694) 4.239 3.964 ( 0.732 -2.029 -1.313) 2.525 4.111 ( 2.743 -0.128 0.921) 2.896 4.173 ( 1.616 1.814 0.786) 2.554 4.472 ( -2.370 -5.724 5.692) 8.413 4.699 ( -3.029 -6.242 -1.288) 7.057 5.347 ( -6.671 3.918 3.576) 8.523 5.686 ( 3.287 0.067 -3.215) 4.598 5.907 ( -1.186 0.020 0.731) 1.393 10.810 ( 0.661 -0.468 -1.247) 1.487 10.844 ( -0.661 0.543 -1.767) 1.963 10.907 ( -0.151 0.264 0.410) 0.510 11.031 ( 1.677 0.569 -0.079) 1.773 11.112 ( 1.043 0.178 1.496) 1.832 11.143 ( 0.776 1.114 -1.731) 2.200 11.548 ( 0.159 -0.159 -0.960) 0.986 11.848 ( -5.389 -2.697 4.625) 7.596 12.232 ( 2.977 -5.936 -1.041) 6.722 12.338 ( 1.228 2.553 2.111) 3.533 12.533 ( -4.916 3.244 1.609) 6.106 12.962 ( 5.027 1.436 -0.374) 5.241 15.486 ( -0.071 -0.285 0.215) 0.364 15.519 ( -0.310 -0.142 0.647) 0.731 15.595 ( 0.956 -0.014 -0.397) 1.036 16.477 ( 0.805 1.093 1.244) 1.842 16.522 ( -0.089 0.231 -0.281) 0.374 16.676 ( 1.327 0.484 -1.015) 1.739 17.882 ( -6.689 -1.254 1.276) 6.924 18.483 ( 7.452 3.503 -4.053) 9.178 18.727 ( 3.333 -1.899 1.614) 4.162 18.903 ( -2.062 2.332 -2.088) 3.748 18.965 ( -2.967 -2.803 0.540) 4.118 19.067 ( -2.365 -1.503 -1.351) 3.110 ======================= Grid point 121 (59/125) ======================= q-point: (-0.11 0.33 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -3.864 1.431 10.522) 11.300 1.035 ( -4.793 9.521 12.681) 16.566 1.344 ( 0.527 -1.510 -3.107) 3.495 1.588 ( -3.228 1.153 -9.791) 10.374 1.637 ( -8.970 -3.864 1.128) 9.832 1.797 ( 11.099 9.332 7.124) 16.156 2.037 ( 1.089 2.248 -2.171) 3.310 2.182 ( 3.660 -0.634 -1.507) 4.008 2.306 ( 5.712 2.804 -3.803) 7.413 2.410 ( 0.520 -7.374 0.447) 7.406 2.527 ( 7.813 -1.540 1.096) 8.038 2.764 ( -6.815 0.192 -0.478) 6.835 2.794 ( -1.703 -2.844 2.080) 3.914 2.952 ( -4.390 7.406 -5.086) 9.999 2.969 ( 0.890 -0.333 1.454) 1.737 3.268 ( 2.739 1.556 -1.942) 3.700 3.307 ( -1.199 -1.871 -1.576) 2.724 3.406 ( -0.337 -0.272 1.634) 1.691 3.481 ( -0.902 -0.122 0.556) 1.066 3.533 ( -1.299 -1.084 -1.703) 2.401 3.701 ( 1.042 0.005 -4.449) 4.569 3.716 ( -0.434 1.015 -1.171) 1.610 3.961 ( 4.489 -2.970 -0.331) 5.393 4.138 ( 0.992 0.368 0.247) 1.087 4.201 ( 3.148 3.577 -0.743) 4.823 4.485 ( -4.181 -8.191 2.208) 9.458 4.646 ( -3.713 -2.596 1.091) 4.660 5.372 ( -5.027 2.711 2.869) 6.391 5.680 ( 4.237 0.375 -1.224) 4.427 5.899 ( -1.784 -0.062 0.054) 1.786 10.795 ( 0.536 1.301 -1.249) 1.882 10.820 ( -0.499 -1.018 -0.036) 1.134 10.906 ( -1.180 0.340 0.141) 1.236 11.037 ( 2.349 -0.051 -1.676) 2.886 11.095 ( 2.227 1.464 -3.425) 4.339 11.170 ( -0.100 -1.551 2.113) 2.623 11.541 ( 0.970 1.236 -0.402) 1.621 11.842 ( -6.844 -3.609 2.567) 8.152 12.232 ( 2.166 -1.115 -0.201) 2.445 12.384 ( 1.609 -0.781 1.862) 2.581 12.556 ( -2.922 3.237 2.641) 5.098 12.993 ( 3.718 0.899 -0.929) 3.936 15.490 ( 0.054 -0.094 0.282) 0.302 15.527 ( -0.133 -0.220 0.562) 0.618 15.595 ( 0.810 -0.044 -0.375) 0.894 16.496 ( 0.202 1.257 0.275) 1.302 16.527 ( -0.342 0.059 0.607) 0.699 16.660 ( 1.768 -0.017 -2.329) 2.924 17.863 ( -3.889 -0.704 1.932) 4.399 18.476 ( 5.524 2.454 -4.069) 7.286 18.772 ( 1.417 -2.648 1.321) 3.281 18.863 ( -1.007 2.430 -1.354) 2.958 18.940 ( -2.764 -1.438 0.495) 3.155 19.025 ( -2.195 -1.257 -0.369) 2.557 ======================= Grid point 124 (60/125) ======================= q-point: ( 0.22 -0.56 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 4.980 -4.006 0.753) 6.436 1.155 ( 1.674 -0.426 -2.862) 3.343 1.550 ( 5.959 -7.982 7.430) 12.426 1.669 ( -3.581 -12.131 -7.531) 14.721 1.751 ( 6.754 2.076 -1.411) 7.205 1.809 ( 3.169 -0.435 6.695) 7.420 2.075 ( -0.389 3.970 -1.827) 4.387 2.190 ( 0.982 3.602 4.356) 5.737 2.244 ( 4.165 -0.392 0.890) 4.278 2.341 ( -6.816 -3.965 -4.132) 8.902 2.488 ( 2.692 -1.909 1.176) 3.503 2.659 ( -3.960 2.014 -0.884) 4.530 2.740 ( -1.927 6.358 -3.437) 7.480 2.912 ( -2.213 -1.667 0.217) 2.779 3.026 ( -3.045 3.096 -1.752) 4.682 3.287 ( -0.373 -4.089 -0.805) 4.184 3.372 ( 2.964 1.872 2.571) 4.348 3.408 ( -0.427 0.010 2.184) 2.225 3.516 ( 0.786 -1.067 0.103) 1.329 3.606 ( 2.544 1.144 3.604) 4.558 3.677 ( -4.379 0.232 2.109) 4.866 3.797 ( 0.740 -4.549 -0.289) 4.618 3.908 ( -0.182 0.642 5.410) 5.451 4.010 ( -2.573 4.358 -0.360) 5.074 4.189 ( -1.128 -0.215 -6.273) 6.377 4.348 ( 2.025 2.917 -1.336) 3.794 4.512 ( -3.317 5.165 1.400) 6.296 5.603 ( 5.674 -3.148 1.202) 6.599 5.668 ( -0.953 -2.862 0.863) 3.137 5.885 ( -1.005 1.984 -1.313) 2.583 10.808 ( 0.544 -0.400 -0.916) 1.138 10.862 ( -0.152 -0.505 1.218) 1.327 10.898 ( -0.509 1.024 -1.032) 1.541 11.050 ( 0.947 -1.642 2.906) 3.469 11.106 ( 0.709 0.684 -0.140) 0.995 11.142 ( -2.028 -0.013 3.044) 3.658 11.582 ( 1.000 -3.075 1.056) 3.401 11.834 ( 3.691 4.541 -2.318) 6.294 11.978 ( -7.142 3.289 -3.851) 8.755 12.490 ( 2.586 -4.742 -0.213) 5.405 12.638 ( 2.728 0.500 -1.217) 3.029 12.897 ( -3.194 0.562 -1.828) 3.722 15.497 ( 0.343 -0.534 -0.078) 0.640 15.518 ( -0.137 0.042 -0.155) 0.210 15.571 ( -0.162 0.481 -0.277) 0.578 16.519 ( 0.223 -1.794 -1.374) 2.271 16.552 ( 0.339 -1.001 0.559) 1.196 16.616 ( -0.996 2.509 0.659) 2.779 18.025 ( 6.629 -2.860 2.300) 7.577 18.422 ( -5.428 -0.512 1.478) 5.649 18.582 ( -2.940 4.082 -2.968) 5.841 18.938 ( -0.030 1.339 0.019) 1.340 19.002 ( 2.074 -1.713 1.850) 3.265 19.066 ( 0.333 -0.084 1.964) 1.994 ======================= Grid point 125 (61/125) ======================= q-point: ( 0.33 -0.56 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 4.645 -4.868 -2.800) 7.287 1.100 ( 5.648 -8.256 -5.278) 11.310 1.349 ( -10.920 -10.493 -6.213) 16.369 1.735 ( 5.093 -5.868 6.152) 9.910 1.793 ( 13.300 4.067 -4.804) 14.714 1.954 ( -2.114 -0.684 5.956) 6.357 2.084 ( -2.697 2.868 2.466) 4.646 2.181 ( -6.529 1.150 -2.335) 7.029 2.273 ( 4.763 -0.219 -3.745) 6.063 2.324 ( 3.661 3.752 4.944) 7.206 2.499 ( -3.132 4.049 0.329) 5.129 2.649 ( -4.935 7.813 -2.364) 9.539 2.690 ( 1.033 -3.048 1.083) 3.395 2.870 ( -1.333 -5.518 -0.705) 5.720 2.986 ( -1.591 1.397 -1.844) 2.807 3.243 ( -0.915 -2.812 -1.133) 3.167 3.442 ( 1.045 1.016 2.105) 2.560 3.455 ( -0.281 0.157 2.369) 2.391 3.513 ( 0.806 -0.782 -0.401) 1.192 3.654 ( 0.081 -1.359 0.746) 1.552 3.696 ( -1.432 0.408 3.158) 3.491 3.798 ( 3.033 -2.775 0.258) 4.119 3.942 ( -3.455 0.452 -1.640) 3.851 4.037 ( 0.077 2.995 2.786) 4.091 4.087 ( -0.826 2.495 -3.542) 4.411 4.350 ( 0.585 -1.101 0.478) 1.335 4.590 ( -0.537 8.026 4.638) 9.285 5.566 ( 3.185 -7.206 -4.383) 9.016 5.732 ( 0.337 -0.173 5.276) 5.290 5.850 ( -1.265 2.556 -2.877) 4.051 10.801 ( -0.144 0.229 0.157) 0.313 10.871 ( -0.242 0.045 0.176) 0.303 10.882 ( -0.134 0.412 -0.761) 0.876 11.068 ( 0.472 -1.703 -0.928) 1.996 11.115 ( 0.891 0.059 0.854) 1.235 11.192 ( -0.568 -0.678 2.973) 3.101 11.605 ( 0.950 -3.619 2.491) 4.495 11.770 ( 0.576 1.028 -7.149) 7.245 11.975 ( -2.718 9.123 3.955) 10.308 12.456 ( 0.311 -7.108 -1.723) 7.321 12.654 ( 3.954 1.637 -0.784) 4.350 12.838 ( -3.739 0.649 -1.773) 4.188 15.495 ( 0.313 -0.771 -0.099) 0.838 15.522 ( 0.402 0.321 0.464) 0.693 15.565 ( -0.722 0.377 -0.261) 0.855 16.483 ( 0.744 -1.995 -1.921) 2.868 16.565 ( 0.260 -0.199 0.710) 0.782 16.622 ( -1.048 1.876 0.054) 2.150 18.112 ( 8.976 -2.981 1.800) 9.628 18.353 ( -11.229 -3.563 -0.075) 11.781 18.572 ( 1.403 7.545 -0.966) 7.735 18.946 ( 0.411 1.995 -0.301) 2.059 19.033 ( 0.570 -2.656 1.654) 3.180 19.100 ( 0.113 -0.035 1.621) 1.625 ======================= Grid point 126 (62/125) ======================= q-point: ( 0.44 -0.56 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 2.034 -16.348 -9.297) 18.917 1.040 ( -1.704 -2.902 -0.986) 3.507 1.233 ( -3.393 2.416 -0.234) 4.172 1.760 ( -4.137 -1.155 -2.720) 5.084 1.835 ( 15.414 6.139 -6.678) 17.885 1.988 ( -5.421 -2.567 1.167) 6.111 2.031 ( -2.959 -0.896 0.865) 3.211 2.186 ( 0.378 4.644 -5.143) 6.939 2.258 ( 1.415 0.021 4.536) 4.752 2.453 ( 3.414 3.890 0.990) 5.269 2.529 ( -0.601 4.494 2.633) 5.243 2.571 ( -7.483 7.378 -1.128) 10.569 2.713 ( -0.782 -6.286 1.271) 6.461 2.856 ( 3.353 -7.555 2.370) 8.598 2.963 ( 0.594 0.523 -0.041) 0.792 3.215 ( -0.100 -1.854 -0.414) 1.902 3.453 ( 0.443 -0.497 -1.823) 1.940 3.467 ( -1.211 1.019 0.368) 1.625 3.520 ( 0.059 -0.430 0.488) 0.653 3.681 ( 2.336 -0.691 1.021) 2.641 3.707 ( -1.185 -0.941 -0.537) 1.606 3.788 ( -0.611 1.231 -3.023) 3.321 3.906 ( 0.808 -0.960 1.799) 2.193 4.064 ( -1.585 2.456 -0.346) 2.943 4.091 ( 0.679 0.718 1.578) 1.862 4.371 ( 0.120 -3.520 2.836) 4.522 4.706 ( -0.029 5.943 4.318) 7.346 5.479 ( 0.173 -5.631 -3.128) 6.444 5.790 ( -0.951 2.396 -4.244) 4.965 5.820 ( 0.818 -0.192 4.201) 4.285 10.812 ( 0.029 0.213 0.777) 0.806 10.868 ( -0.100 0.245 -0.107) 0.285 10.877 ( 0.041 -0.079 0.114) 0.145 11.041 ( 0.156 -0.991 -1.220) 1.579 11.123 ( -0.228 1.218 -0.959) 1.567 11.206 ( 0.078 -0.737 -0.953) 1.208 11.615 ( 0.302 -0.855 -2.070) 2.260 11.719 ( -0.409 -2.282 3.630) 4.307 12.092 ( 0.446 8.876 4.807) 10.104 12.377 ( -0.546 -8.550 -2.742) 8.995 12.676 ( 0.381 1.807 -0.361) 1.882 12.796 ( -0.137 1.343 -1.192) 1.801 15.492 ( -0.003 -0.801 0.052) 0.803 15.539 ( 0.064 0.300 0.574) 0.651 15.555 ( -0.093 0.205 -0.266) 0.349 16.453 ( 0.241 -1.100 -0.991) 1.500 16.562 ( -0.426 1.552 -1.393) 2.129 16.634 ( 0.212 0.019 1.241) 1.259 18.199 ( 7.463 -2.304 0.950) 7.869 18.233 ( -8.708 -2.734 -1.384) 9.231 18.615 ( 1.496 6.284 0.254) 6.465 18.950 ( 0.447 2.404 -0.808) 2.575 19.042 ( -0.877 -3.419 1.184) 3.723 19.120 ( 0.168 -0.559 0.684) 0.899 ======================= Grid point 128 (63/125) ======================= q-point: (-0.44 0.44 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -5.497 -0.459 5.417) 7.731 0.973 ( -6.517 0.645 -2.343) 6.955 1.258 ( 4.801 3.902 0.490) 6.206 1.612 ( -8.142 2.444 -6.936) 10.971 1.850 ( 4.148 2.585 -4.589) 6.704 1.919 ( 2.034 2.521 -4.042) 5.179 2.042 ( 6.610 -1.438 -5.023) 8.426 2.159 ( -1.179 3.164 1.592) 3.733 2.310 ( -6.544 -0.253 2.896) 7.160 2.400 ( 0.240 4.644 -6.624) 8.093 2.529 ( -2.214 -4.203 -2.684) 5.456 2.632 ( 3.427 4.001 4.659) 7.033 2.745 ( 0.484 -3.221 5.077) 6.032 2.897 ( -1.062 -4.307 4.268) 6.156 3.008 ( 4.456 -0.095 1.781) 4.800 3.205 ( 0.899 -1.081 -0.476) 1.484 3.417 ( -0.607 1.219 -2.191) 2.579 3.450 ( -0.735 0.559 -1.807) 2.029 3.518 ( -0.178 -0.767 -0.225) 0.819 3.644 ( -0.197 -0.881 -2.410) 2.573 3.713 ( 0.424 -0.388 -1.328) 1.447 3.746 ( -1.202 1.276 -0.811) 1.932 3.963 ( 3.774 -1.136 1.221) 4.127 4.053 ( -1.925 1.432 -0.056) 2.400 4.121 ( 0.843 0.245 1.292) 1.562 4.420 ( -0.251 -5.470 5.463) 7.735 4.767 ( -0.292 -1.287 1.127) 1.735 5.430 ( -2.738 0.083 0.591) 2.802 5.714 ( -0.021 1.427 -4.955) 5.156 5.885 ( 0.579 -0.138 2.571) 2.639 10.816 ( 0.438 -0.769 -0.513) 1.023 10.870 ( -0.200 0.272 -0.118) 0.357 10.888 ( 0.251 -0.030 1.059) 1.088 11.027 ( -0.603 0.809 -0.325) 1.060 11.098 ( -0.751 1.346 -1.267) 1.996 11.166 ( 0.901 0.672 -3.451) 3.629 11.576 ( -0.450 -0.812 -1.375) 1.659 11.814 ( -0.257 -2.591 7.522) 7.960 12.206 ( 1.490 2.244 2.778) 3.869 12.290 ( -0.422 -4.582 -1.648) 4.887 12.655 ( -5.091 1.758 -0.299) 5.394 12.817 ( 5.211 2.183 -0.273) 5.656 15.490 ( -0.378 -0.579 0.317) 0.761 15.531 ( -1.098 -0.308 -0.117) 1.147 15.568 ( 1.529 0.281 0.160) 1.562 16.447 ( -0.449 0.322 0.658) 0.859 16.538 ( -0.229 1.579 -1.639) 2.287 16.656 ( 0.890 -0.211 0.463) 1.025 18.107 ( -10.557 -2.301 -0.871) 10.840 18.284 ( 10.554 0.318 -0.773) 10.587 18.655 ( 1.242 3.026 0.456) 3.303 18.945 ( 0.092 2.697 -1.464) 3.070 19.030 ( -1.761 -3.713 0.738) 4.175 19.119 ( -0.098 -1.345 -0.364) 1.397 ======================= Grid point 129 (64/125) ======================= q-point: (-0.33 0.44 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -12.122 8.999 1.988) 15.227 0.912 ( -7.731 7.107 10.921) 15.151 1.373 ( 10.354 5.293 3.455) 12.130 1.451 ( -4.382 1.621 -6.207) 7.769 1.790 ( -2.343 -0.222 -2.912) 3.744 1.834 ( -0.926 -1.331 -7.775) 7.942 2.023 ( 13.820 6.120 -7.120) 16.708 2.161 ( -4.678 7.419 -3.567) 9.469 2.305 ( -5.462 -2.244 4.731) 7.566 2.327 ( 3.883 -2.064 -3.947) 5.910 2.454 ( -0.481 -3.926 -1.558) 4.251 2.747 ( 3.021 -1.098 3.715) 4.913 2.814 ( 0.383 0.544 3.502) 3.565 2.941 ( -2.403 -3.670 3.851) 5.837 3.054 ( 1.910 1.795 -0.942) 2.785 3.200 ( 2.042 0.246 -0.928) 2.256 3.395 ( -1.628 -0.582 -2.626) 3.144 3.395 ( -0.231 1.173 -0.741) 1.406 3.505 ( -0.261 -0.309 -0.708) 0.816 3.642 ( 0.957 1.011 0.873) 1.644 3.655 ( -2.231 -1.293 -2.111) 3.332 3.731 ( 0.808 0.972 -2.065) 2.421 3.958 ( 0.765 -2.728 -2.274) 3.633 4.066 ( 2.055 0.403 0.685) 2.203 4.155 ( 0.831 1.281 1.064) 1.861 4.499 ( -0.968 -6.407 6.967) 9.515 4.734 ( -1.302 -7.734 -0.877) 7.892 5.448 ( -5.031 5.012 2.864) 7.657 5.641 ( 2.040 0.424 -4.500) 4.959 5.917 ( -0.051 -0.180 0.941) 0.959 10.802 ( 0.412 -0.106 -1.062) 1.144 10.855 ( -0.686 0.025 -1.097) 1.294 10.910 ( 0.046 0.144 1.067) 1.078 11.014 ( 0.134 1.001 -1.205) 1.572 11.094 ( 1.297 2.038 -2.140) 3.227 11.134 ( 0.213 -0.467 0.727) 0.890 11.549 ( -0.106 -0.652 -1.150) 1.326 11.922 ( -3.224 -2.107 6.989) 7.980 12.179 ( 2.774 -9.876 -1.526) 10.371 12.329 ( 0.074 5.971 2.182) 6.357 12.619 ( -5.270 2.397 0.197) 5.793 12.872 ( 5.668 2.327 0.014) 6.127 15.492 ( -0.585 -0.324 0.501) 0.836 15.524 ( -0.411 -0.456 0.240) 0.659 15.579 ( 1.079 0.053 -0.139) 1.089 16.469 ( 0.066 1.294 1.288) 1.827 16.523 ( -0.009 1.243 -0.697) 1.425 16.657 ( 1.124 -0.117 -1.197) 1.646 18.009 ( -8.497 -1.693 -0.312) 8.669 18.347 ( 9.061 2.427 -2.119) 9.617 18.686 ( 1.505 -0.174 1.334) 2.019 18.926 ( -0.639 2.806 -2.058) 3.538 19.008 ( -2.146 -3.482 0.531) 4.125 19.094 ( -1.011 -1.925 -1.035) 2.408 ======================= Grid point 130 (65/125) ======================= q-point: (-0.22 0.44 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -10.749 4.263 3.582) 12.105 1.123 ( -6.227 9.005 11.184) 15.651 1.331 ( 0.193 -1.938 -5.354) 5.698 1.603 ( 8.746 8.329 5.170) 13.137 1.645 ( -0.770 0.871 -6.711) 6.811 1.748 ( -2.095 -0.346 -0.714) 2.240 2.025 ( 5.451 7.693 -6.616) 11.518 2.092 ( 3.046 4.743 -4.595) 7.272 2.251 ( -0.556 -2.320 -3.156) 3.956 2.392 ( 2.110 -0.426 3.596) 4.191 2.439 ( 1.243 -3.735 2.454) 4.638 2.790 ( 0.491 -3.681 1.217) 3.908 2.870 ( -2.927 -1.153 2.649) 4.112 2.949 ( 0.213 -1.690 0.760) 1.865 3.015 ( -2.371 4.857 -4.455) 7.004 3.215 ( 2.872 1.557 -0.631) 3.327 3.328 ( -1.110 -0.802 -2.379) 2.745 3.415 ( -0.689 -0.052 2.456) 2.551 3.493 ( -0.316 0.128 -0.194) 0.392 3.565 ( -2.529 -1.685 -3.359) 4.530 3.669 ( 2.508 -0.288 -3.564) 4.367 3.734 ( -1.811 1.753 3.392) 4.226 3.909 ( 2.028 -4.740 -1.863) 5.482 4.101 ( 3.044 0.084 0.839) 3.159 4.173 ( 0.782 3.029 -0.876) 3.249 4.551 ( -3.758 -8.007 3.738) 9.602 4.684 ( -0.974 -6.901 1.345) 7.098 5.460 ( -5.392 3.825 0.721) 6.650 5.615 ( 3.607 1.372 -1.373) 4.096 5.919 ( -0.595 -0.271 -0.086) 0.660 10.788 ( 0.357 1.511 -1.284) 2.015 10.833 ( -1.101 -0.803 -0.029) 1.363 10.924 ( -0.865 0.358 0.907) 1.304 10.999 ( 2.042 0.009 -2.055) 2.897 11.060 ( 1.900 1.708 -3.272) 4.151 11.172 ( -0.257 -1.809 2.856) 3.390 11.531 ( 0.492 0.826 -0.953) 1.354 11.951 ( -6.411 -4.995 2.756) 8.582 12.177 ( 4.552 -4.327 1.576) 6.475 12.375 ( -0.447 3.090 0.859) 3.238 12.606 ( -3.160 2.963 0.919) 4.428 12.924 ( 4.497 2.134 -0.206) 4.982 15.494 ( -0.577 -0.187 0.483) 0.775 15.527 ( 0.073 -0.463 0.351) 0.585 15.584 ( 0.669 0.046 -0.076) 0.675 16.493 ( 0.209 1.548 0.460) 1.629 16.528 ( 0.121 1.007 0.562) 1.160 16.635 ( 1.313 -0.276 -2.230) 2.603 17.944 ( -5.746 -1.496 0.369) 5.949 18.380 ( 6.229 3.278 -2.663) 7.526 18.730 ( 2.522 -1.912 2.409) 3.977 18.891 ( -1.502 2.842 -2.339) 3.975 18.983 ( -2.303 -2.827 0.458) 3.675 19.055 ( -1.515 -1.989 -0.897) 2.657 ======================= Grid point 131 (66/125) ======================= q-point: (-0.11 0.44 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -1.916 -0.367 6.254) 6.551 1.237 ( -0.806 -2.392 -1.769) 3.082 1.275 ( -1.589 2.872 4.833) 5.842 1.465 ( -2.343 -0.372 -6.659) 7.069 1.709 ( -2.146 1.443 0.639) 2.664 1.874 ( 5.902 10.257 1.891) 11.984 2.016 ( 4.516 5.380 -2.739) 7.539 2.099 ( 8.228 6.673 0.616) 10.612 2.198 ( 1.544 -1.939 -1.882) 3.112 2.414 ( -2.472 -2.356 1.338) 3.667 2.535 ( 3.435 -1.492 4.778) 6.071 2.748 ( -3.388 -5.175 -2.150) 6.548 2.840 ( -3.289 -4.523 -0.219) 5.597 2.933 ( -3.084 6.742 -4.422) 8.632 2.986 ( 2.257 0.188 1.577) 2.760 3.228 ( 2.260 2.108 -1.019) 3.255 3.298 ( -0.786 -0.627 -0.092) 1.010 3.444 ( -2.683 -1.212 1.038) 3.122 3.495 ( 0.621 0.578 0.623) 1.053 3.516 ( -0.025 -0.958 0.979) 1.370 3.607 ( 1.152 -0.632 -4.426) 4.617 3.755 ( -4.531 -0.267 1.648) 4.829 3.895 ( 3.687 -4.863 -0.496) 6.122 4.134 ( 0.494 1.041 -0.563) 1.282 4.184 ( 3.015 5.435 -0.313) 6.223 4.494 ( -4.909 -9.587 -0.263) 10.774 4.687 ( -2.286 -2.402 1.539) 3.656 5.443 ( -2.415 1.122 0.384) 2.690 5.644 ( 2.938 1.633 0.218) 3.368 5.908 ( -0.765 -0.250 -0.207) 0.831 10.780 ( 0.619 1.331 -0.684) 1.619 10.833 ( -0.800 -0.861 1.154) 1.647 10.935 ( -1.710 0.618 1.444) 2.322 10.972 ( 2.378 -0.200 -2.999) 3.832 11.037 ( 1.471 1.183 -1.760) 2.581 11.192 ( -0.969 -2.371 1.115) 2.794 11.535 ( 1.319 2.126 -0.206) 2.511 11.901 ( -5.118 -5.456 0.567) 7.503 12.221 ( 0.862 0.043 0.745) 1.140 12.393 ( 1.244 0.067 0.627) 1.395 12.621 ( -1.007 2.355 1.031) 2.761 12.956 ( 2.714 1.740 -0.613) 3.282 15.497 ( -0.436 -0.150 0.348) 0.577 15.531 ( 0.233 -0.471 0.147) 0.546 15.587 ( 0.340 0.247 -0.238) 0.483 16.509 ( 0.256 1.240 0.617) 1.408 16.545 ( -0.345 0.936 0.873) 1.326 16.604 ( 1.298 -0.534 -2.230) 2.635 17.914 ( -2.741 -1.575 0.989) 3.313 18.394 ( 3.801 3.201 -2.033) 5.369 18.775 ( 0.548 -2.699 1.347) 3.066 18.859 ( -0.177 2.882 -1.141) 3.105 18.961 ( -2.190 -1.830 0.402) 2.882 19.026 ( -0.973 -1.631 -0.245) 1.915 ======================= Grid point 134 (67/125) ======================= q-point: ( 0.22 -0.44 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 8.099 -8.570 -6.060) 13.257 1.001 ( 8.727 -10.420 -3.685) 14.082 1.502 ( -6.915 -4.338 -3.854) 9.027 1.519 ( 20.126 1.876 -7.755) 21.650 1.659 ( 1.101 -3.278 3.508) 4.926 1.947 ( 2.405 1.187 7.390) 7.862 2.090 ( -0.494 4.538 0.396) 4.582 2.211 ( 1.738 -1.040 1.045) 2.279 2.307 ( -2.609 -0.504 -0.645) 2.735 2.338 ( -6.983 2.829 2.218) 7.854 2.523 ( -1.074 -1.707 3.820) 4.319 2.669 ( -0.999 -0.409 -0.122) 1.087 2.728 ( -1.250 5.987 -2.919) 6.777 2.906 ( -2.352 -3.177 -1.768) 4.330 3.034 ( -4.367 4.214 -2.312) 6.494 3.269 ( -2.082 -2.605 -0.564) 3.382 3.404 ( 2.767 1.493 2.797) 4.208 3.458 ( 0.401 -0.152 2.653) 2.688 3.495 ( 1.403 -1.040 -0.732) 1.893 3.639 ( 2.219 -0.252 1.980) 2.985 3.737 ( -3.653 -2.559 0.827) 4.536 3.788 ( -1.653 -0.384 0.333) 1.729 3.986 ( -1.701 -0.151 2.469) 3.002 4.040 ( -0.914 2.113 -0.122) 2.305 4.107 ( -1.589 3.421 -3.988) 5.490 4.333 ( 1.411 -0.304 0.480) 1.521 4.608 ( -1.587 5.156 4.176) 6.823 5.471 ( 7.912 -6.036 -4.307) 10.843 5.741 ( -1.227 -0.431 4.289) 4.482 5.868 ( -0.629 1.560 -2.321) 2.867 10.806 ( -0.483 0.428 0.737) 0.980 10.877 ( -0.481 0.125 -0.009) 0.497 10.886 ( -0.308 0.341 -0.855) 0.971 11.063 ( 0.140 -1.905 -0.474) 1.968 11.098 ( 1.105 -0.414 1.063) 1.588 11.191 ( 0.643 0.283 0.645) 0.954 11.595 ( 0.141 -2.801 2.523) 3.773 11.736 ( 2.781 2.227 -4.872) 6.035 12.062 ( -6.869 5.637 2.268) 9.171 12.439 ( 1.912 -5.320 -0.663) 5.692 12.572 ( 5.296 0.097 -2.357) 5.798 12.915 ( -4.947 1.629 -0.819) 5.272 15.492 ( 0.150 -0.810 0.104) 0.831 15.514 ( 0.527 0.066 -0.228) 0.578 15.578 ( -0.892 0.939 0.264) 1.322 16.475 ( 0.169 -1.770 -2.259) 2.875 16.558 ( 0.753 -0.827 0.906) 1.440 16.639 ( -1.003 2.332 -0.351) 2.562 17.962 ( 8.818 -3.680 0.196) 9.557 18.534 ( -8.425 0.937 3.765) 9.276 18.574 ( -3.447 3.812 -2.993) 5.948 18.937 ( 0.584 0.573 -0.415) 0.918 19.004 ( 2.832 -1.269 1.536) 3.463 19.097 ( 0.386 -0.465 2.127) 2.211 ======================= Grid point 135 (68/125) ======================= q-point: ( 0.33 -0.44 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 8.833 -14.398 -8.337) 18.837 1.014 ( 5.982 -3.711 -0.689) 7.073 1.357 ( -8.908 -0.043 -2.740) 9.320 1.563 ( 15.584 8.048 -7.057) 18.906 1.741 ( 5.340 -5.464 2.837) 8.150 1.995 ( 1.969 -2.040 -2.366) 3.693 2.125 ( -4.211 0.161 -2.743) 5.028 2.193 ( -2.924 5.918 -3.875) 7.654 2.247 ( -0.027 -0.078 6.875) 6.876 2.428 ( -0.453 4.477 2.965) 5.389 2.569 ( -2.893 1.171 2.794) 4.189 2.696 ( 2.059 -5.407 3.386) 6.704 2.700 ( -5.270 8.200 -0.215) 9.750 2.822 ( -1.297 -6.886 -2.276) 7.368 2.982 ( -2.610 1.646 -1.328) 3.360 3.232 ( -1.887 -1.711 -0.419) 2.582 3.445 ( 0.506 1.271 -2.406) 2.768 3.470 ( 1.118 -1.267 1.047) 1.988 3.511 ( 0.815 -0.286 0.747) 1.142 3.653 ( 0.960 -1.072 0.254) 1.461 3.750 ( -3.471 0.149 -1.975) 3.997 3.763 ( 2.181 0.708 1.289) 2.631 3.939 ( -3.631 -0.379 -1.356) 3.895 4.074 ( 0.757 -0.594 1.772) 2.016 4.091 ( -1.232 3.009 0.234) 3.260 4.364 ( 0.759 -3.017 2.988) 4.314 4.705 ( 0.033 4.985 3.940) 6.354 5.429 ( 5.676 -4.989 -3.214) 8.212 5.802 ( -0.167 1.543 0.279) 1.577 5.821 ( -1.078 -0.033 -0.053) 1.079 10.819 ( -0.822 0.272 0.860) 1.220 10.869 ( 0.038 0.374 -0.252) 0.453 10.878 ( -0.158 -0.207 -0.013) 0.261 11.040 ( -0.030 -0.759 -0.653) 1.001 11.121 ( 0.483 0.903 -0.220) 1.047 11.190 ( 1.774 -0.885 -1.928) 2.765 11.608 ( 0.288 -0.493 -1.016) 1.165 11.717 ( 0.714 -1.773 2.369) 3.043 12.118 ( -3.425 7.525 4.706) 9.513 12.386 ( -0.472 -8.070 -2.170) 8.370 12.596 ( 6.822 1.782 -1.258) 7.162 12.865 ( -5.805 1.566 -0.675) 6.051 15.493 ( -0.037 -0.735 0.399) 0.837 15.522 ( 1.284 0.201 0.177) 1.311 15.572 ( -1.391 0.347 -0.256) 1.457 16.447 ( 0.498 -0.759 -0.455) 1.015 16.567 ( 0.024 0.876 -0.626) 1.076 16.633 ( -0.224 0.202 0.010) 0.302 18.030 ( 10.317 -2.677 0.204) 10.661 18.419 ( -11.013 -3.169 -2.149) 11.660 18.613 ( -1.449 7.185 1.816) 7.551 18.938 ( 0.986 1.391 -0.797) 1.882 19.037 ( 1.490 -2.261 1.157) 2.944 19.119 ( -0.094 -0.767 0.606) 0.982 ======================= Grid point 136 (69/125) ======================= q-point: ( 0.44 -0.44 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 5.575 0.951 6.005) 8.249 1.016 ( 1.645 -1.319 -1.254) 2.453 1.270 ( -5.469 1.570 -0.774) 5.742 1.610 ( 14.577 9.783 -6.962) 18.885 1.729 ( -2.959 -0.440 -3.751) 4.798 1.941 ( 5.704 -4.072 -5.785) 9.088 1.983 ( -4.615 2.967 -6.804) 8.741 2.180 ( -1.693 1.700 1.569) 2.866 2.380 ( -0.788 0.762 4.675) 4.801 2.427 ( -3.092 5.214 -2.783) 6.671 2.567 ( -1.857 -0.716 -1.485) 2.483 2.669 ( -8.357 5.850 0.446) 10.211 2.741 ( 0.033 -4.165 4.233) 5.938 2.837 ( 7.028 -8.798 4.385) 12.084 2.979 ( -0.187 0.182 1.744) 1.763 3.208 ( -1.128 -0.751 -0.325) 1.394 3.407 ( 0.764 1.165 -2.416) 2.789 3.474 ( -0.532 -0.283 -0.736) 0.951 3.511 ( 0.620 -0.294 -1.104) 1.299 3.649 ( 0.283 -1.346 -2.251) 2.638 3.692 ( -0.147 0.656 -0.617) 0.913 3.783 ( -1.321 2.406 -1.135) 2.970 3.924 ( 0.237 -1.490 1.265) 1.969 4.085 ( -1.723 0.981 -0.617) 2.076 4.108 ( 0.583 -0.280 1.774) 1.889 4.420 ( 0.233 -5.513 5.438) 7.747 4.763 ( 0.777 -1.307 0.943) 1.789 5.426 ( 3.008 0.173 0.409) 3.041 5.732 ( -1.893 1.772 -4.786) 5.443 5.873 ( 0.763 -0.478 2.716) 2.861 10.814 ( -0.247 -0.733 -0.620) 0.991 10.872 ( -0.020 0.152 0.048) 0.161 10.884 ( 0.126 -0.004 0.805) 0.815 11.041 ( -1.102 1.021 0.968) 1.787 11.104 ( 0.287 2.335 -2.594) 3.502 11.149 ( 0.893 -0.520 -3.048) 3.218 11.581 ( -0.152 -0.424 -1.524) 1.589 11.802 ( 1.593 -3.214 6.916) 7.791 12.209 ( -1.819 3.759 3.715) 5.589 12.302 ( -0.977 -6.031 -1.670) 6.334 12.644 ( 6.083 2.082 -0.728) 6.471 12.819 ( -5.147 2.082 -0.195) 5.556 15.498 ( -0.461 -0.510 0.754) 1.020 15.538 ( 1.454 -0.037 0.153) 1.463 15.553 ( -0.997 -0.098 -0.560) 1.147 16.455 ( -0.489 0.727 1.135) 1.434 16.545 ( -0.635 1.820 -1.870) 2.686 16.640 ( 0.979 -0.851 0.198) 1.312 18.107 ( 10.538 -1.285 -0.308) 10.620 18.281 ( -10.142 -1.873 -2.056) 10.516 18.656 ( -1.467 4.497 1.314) 4.909 18.936 ( 0.977 2.002 -1.368) 2.614 19.045 ( -0.010 -3.349 0.675) 3.416 19.116 ( 0.473 -1.282 -0.489) 1.451 ======================= Grid point 137 (70/125) ======================= q-point: (-0.44 0.56 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -1.716 9.362 6.176) 11.346 1.004 ( -1.984 5.932 8.745) 10.752 1.261 ( 1.045 0.974 1.410) 2.007 1.548 ( -5.258 2.667 -7.969) 9.913 1.693 ( 12.314 7.754 -6.161) 15.803 1.830 ( 1.377 -1.868 -7.787) 8.125 1.878 ( 1.850 3.346 -6.034) 7.143 2.207 ( -1.091 2.575 -0.087) 2.798 2.303 ( -1.684 2.936 -6.010) 6.897 2.420 ( -5.397 -2.903 0.717) 6.170 2.512 ( -6.520 1.620 0.592) 6.744 2.712 ( 0.185 1.087 4.615) 4.745 2.790 ( 2.087 -1.445 1.948) 3.199 2.928 ( 5.372 -8.215 4.085) 10.631 3.017 ( 0.984 -0.954 1.484) 2.020 3.194 ( -0.846 1.335 -0.465) 1.647 3.380 ( 1.166 0.660 -2.593) 2.919 3.438 ( -2.627 0.246 -0.950) 2.804 3.497 ( 1.265 0.147 -1.171) 1.731 3.621 ( 1.140 -0.611 -0.493) 1.384 3.683 ( -0.876 -0.573 -1.432) 1.774 3.752 ( -2.576 2.338 -0.434) 3.506 3.933 ( 1.452 -2.194 -0.907) 2.783 4.054 ( -0.180 -0.694 -1.361) 1.538 4.145 ( 0.203 1.116 1.540) 1.913 4.505 ( 0.244 -7.043 7.370) 10.197 4.743 ( 0.182 -7.832 -0.728) 7.868 5.486 ( 0.880 4.976 2.657) 5.709 5.636 ( -1.760 1.004 -5.143) 5.528 5.911 ( 0.671 -0.401 1.143) 1.385 10.796 ( 0.258 0.024 -1.084) 1.115 10.867 ( -0.625 -0.204 -0.279) 0.714 10.903 ( 0.670 0.022 0.857) 1.088 11.028 ( -1.637 1.285 -1.995) 2.883 11.069 ( 1.671 2.292 -3.756) 4.707 11.137 ( -0.614 -0.590 2.388) 2.536 11.550 ( -0.042 -0.779 -1.555) 1.740 11.934 ( 1.935 -2.057 7.684) 8.186 12.171 ( -2.068 -10.757 -1.552) 11.063 12.332 ( -0.325 6.600 2.570) 7.090 12.670 ( 1.110 1.532 -1.107) 2.192 12.811 ( -0.284 3.365 0.746) 3.458 15.505 ( -1.003 -0.342 0.893) 1.385 15.531 ( -0.409 -0.878 -0.228) 0.995 15.558 ( 1.415 0.395 0.032) 1.469 16.476 ( -0.940 1.571 1.188) 2.182 16.523 ( -0.157 1.712 -1.014) 1.996 16.638 ( 1.163 -0.624 -1.100) 1.718 18.127 ( -1.465 -3.076 -2.956) 4.511 18.218 ( 2.275 2.515 0.667) 3.457 18.681 ( -1.007 1.475 1.348) 2.238 18.925 ( 0.664 2.571 -1.963) 3.302 19.033 ( -0.864 -3.870 0.352) 3.981 19.100 ( 0.288 -1.839 -0.880) 2.059 ======================= Grid point 139 (71/125) ======================= q-point: (-0.33 0.56 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -7.016 2.130 1.716) 7.530 1.241 ( -7.948 5.667 8.213) 12.757 1.357 ( -2.653 0.709 -4.780) 5.512 1.446 ( 7.687 12.200 8.491) 16.734 1.642 ( 6.591 -3.008 -11.343) 13.459 1.723 ( 0.984 3.230 -3.687) 5.000 1.870 ( 8.288 10.040 -4.036) 13.630 2.115 ( -3.300 7.810 -8.309) 11.871 2.274 ( 0.439 -4.447 0.032) 4.468 2.386 ( -1.734 0.946 1.339) 2.386 2.490 ( -7.603 0.306 2.933) 8.155 2.779 ( 0.832 -4.756 3.038) 5.705 2.844 ( 4.037 1.971 1.151) 4.638 2.964 ( 0.626 -8.654 1.187) 8.758 3.019 ( 1.174 1.808 -2.307) 3.158 3.196 ( -0.521 2.965 -0.047) 3.011 3.336 ( 0.264 0.061 -2.809) 2.822 3.433 ( -1.522 0.189 2.216) 2.695 3.489 ( 0.793 0.403 -0.680) 1.120 3.599 ( -0.544 -1.186 -3.654) 3.880 3.634 ( 0.720 -0.948 -2.189) 2.492 3.780 ( -3.634 2.282 4.981) 6.575 3.888 ( 0.569 -5.042 -2.702) 5.748 4.052 ( 2.850 -0.665 0.305) 2.942 4.166 ( 0.166 2.586 -0.410) 2.624 4.597 ( -1.336 -7.134 6.542) 9.771 4.686 ( 0.075 -10.144 -0.178) 10.146 5.538 ( -3.352 1.569 -3.357) 4.996 5.565 ( 2.033 4.837 1.164) 5.375 5.921 ( 0.273 -0.506 -0.082) 0.581 10.782 ( 0.328 1.582 -1.268) 2.053 10.855 ( -1.536 -0.533 0.378) 1.670 10.923 ( 1.166 -0.033 0.581) 1.303 10.982 ( -0.131 0.433 -2.588) 2.628 11.034 ( 1.335 1.699 -2.537) 3.333 11.180 ( -0.808 -1.881 3.193) 3.793 11.524 ( 0.356 0.502 -1.359) 1.491 12.050 ( -5.430 -3.994 3.903) 7.789 12.092 ( 5.156 -7.609 1.135) 9.261 12.390 ( -1.018 5.236 1.242) 5.477 12.649 ( -1.410 1.614 -1.467) 2.597 12.860 ( 2.634 3.864 1.174) 4.822 15.506 ( -0.809 -0.476 0.396) 1.019 15.528 ( -0.316 -0.569 0.481) 0.809 15.571 ( 1.045 0.304 0.046) 1.089 16.493 ( -0.419 1.702 0.514) 1.827 16.525 ( 0.215 1.686 0.168) 1.708 16.617 ( 0.957 -0.500 -1.916) 2.200 18.034 ( -4.478 -2.857 -2.212) 5.754 18.281 ( 5.092 4.049 0.282) 6.512 18.707 ( 0.093 -0.864 2.089) 2.262 18.903 ( 0.035 3.033 -2.341) 3.832 19.011 ( -1.102 -3.876 0.252) 4.037 19.073 ( -0.551 -2.204 -0.924) 2.452 ======================= Grid point 140 (72/125) ======================= q-point: (-0.22 0.56 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -7.374 2.654 -0.052) 7.837 1.239 ( -0.266 -3.936 -2.030) 4.436 1.315 ( -2.626 0.496 4.397) 5.146 1.472 ( 2.577 -2.735 -9.441) 10.161 1.699 ( 1.281 3.073 -1.326) 3.583 1.772 ( 6.874 14.435 6.475) 17.249 1.916 ( 5.708 11.472 -4.864) 13.706 2.024 ( 1.479 7.281 -1.422) 7.565 2.231 ( -3.297 -3.150 -0.368) 4.575 2.440 ( 0.126 4.325 2.146) 4.830 2.510 ( -2.574 -2.416 5.598) 6.618 2.787 ( -1.167 -7.149 0.764) 7.284 2.879 ( 0.973 -4.301 -1.522) 4.665 2.923 ( 2.931 -2.134 -1.533) 3.936 2.977 ( -1.959 4.291 -3.163) 5.679 3.204 ( 0.396 2.501 -0.296) 2.549 3.305 ( -0.020 -0.088 -0.781) 0.786 3.475 ( -0.137 0.507 2.012) 2.079 3.495 ( -0.419 0.475 -0.794) 1.016 3.525 ( -1.793 -1.742 0.426) 2.536 3.588 ( 1.071 -0.816 -3.337) 3.599 3.804 ( -0.285 -4.272 -1.793) 4.642 3.870 ( -2.135 -1.522 4.640) 5.330 4.099 ( 3.357 0.061 1.819) 3.818 4.163 ( 0.251 4.940 -1.740) 5.244 4.577 ( -5.074 -9.790 0.189) 11.028 4.695 ( 1.253 -5.997 3.127) 6.879 5.465 ( -0.320 -0.236 -3.034) 3.060 5.622 ( 0.027 4.801 1.300) 4.974 5.913 ( 0.076 -0.689 -0.508) 0.859 10.772 ( 0.331 1.758 -1.009) 2.053 10.852 ( -1.552 -0.717 0.921) 1.942 10.931 ( 2.269 -0.105 -2.022) 3.041 10.957 ( -0.650 0.262 0.852) 1.104 11.020 ( 0.660 1.748 -0.911) 2.078 11.207 ( -0.846 -3.021 1.870) 3.652 11.518 ( 0.865 2.128 -0.634) 2.383 11.972 ( -3.537 -8.369 -1.179) 9.162 12.188 ( 2.789 -1.196 4.228) 5.205 12.403 ( -2.010 3.159 -0.553) 3.785 12.626 ( 0.469 1.687 -1.517) 2.317 12.917 ( 1.852 3.685 1.015) 4.247 15.505 ( -0.298 -0.482 0.201) 0.601 15.531 ( -0.524 -0.388 0.407) 0.769 15.579 ( 0.633 0.400 -0.061) 0.751 16.505 ( 0.179 1.374 0.244) 1.407 16.542 ( 0.584 1.603 0.166) 1.714 16.591 ( 0.300 -0.432 -1.005) 1.134 17.960 ( -2.558 -2.988 -1.454) 4.194 18.340 ( 2.769 4.937 0.327) 5.670 18.748 ( 1.441 -2.395 2.649) 3.851 18.874 ( -0.746 3.426 -2.337) 4.214 18.989 ( -1.083 -3.541 0.298) 3.715 19.041 ( -0.969 -2.155 -0.698) 2.464 ======================= Grid point 141 (73/125) ======================= q-point: (-0.11 -0.44 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 1.373 -2.492 -5.140) 5.875 1.239 ( 0.735 -2.547 0.512) 2.700 1.326 ( -2.763 -1.542 -0.602) 3.221 1.413 ( 4.271 0.014 2.817) 5.116 1.693 ( 3.151 -0.144 -2.123) 3.802 1.865 ( 4.693 11.466 -7.183) 14.321 1.892 ( 1.096 8.969 -1.388) 9.142 2.188 ( 0.041 1.943 1.826) 2.667 2.224 ( 2.200 4.540 7.706) 9.211 2.475 ( -5.067 0.573 2.483) 5.671 2.592 ( -0.277 -1.383 3.899) 4.146 2.709 ( -2.015 -9.296 -1.235) 9.592 2.807 ( -1.659 -3.354 -2.892) 4.729 2.898 ( 1.364 4.068 -3.482) 5.525 2.985 ( 3.477 1.737 0.798) 3.968 3.225 ( 0.875 1.831 1.130) 2.323 3.300 ( -0.246 -0.324 0.173) 0.442 3.442 ( -1.337 -0.957 -1.731) 2.387 3.494 ( 0.796 -0.228 -0.131) 0.839 3.525 ( -0.083 -1.262 -1.588) 2.030 3.604 ( -0.947 0.698 5.270) 5.399 3.759 ( 1.528 -4.398 -0.913) 4.745 3.915 ( -4.064 -1.019 3.905) 5.728 4.116 ( -0.102 3.279 -2.475) 4.110 4.197 ( 2.631 5.022 1.230) 5.802 4.475 ( -5.534 -9.160 -1.612) 10.823 4.701 ( -1.376 -3.517 -0.201) 3.782 5.434 ( 2.544 -1.202 -1.096) 3.020 5.657 ( -0.375 2.915 0.947) 3.088 5.903 ( 0.262 -0.672 -0.347) 0.800 10.775 ( 0.729 1.133 0.114) 1.352 10.848 ( -0.552 -1.432 0.074) 1.537 10.912 ( 1.655 -0.023 -1.431) 2.188 10.984 ( -1.257 1.030 2.203) 2.738 11.032 ( -0.059 2.258 0.955) 2.452 11.204 ( -1.347 -2.470 0.392) 2.841 11.532 ( 1.309 2.381 -0.180) 2.723 11.889 ( -1.871 -6.553 -1.818) 7.053 12.243 ( -1.663 0.100 1.147) 2.023 12.386 ( 0.493 0.795 -0.754) 1.201 12.616 ( 2.407 0.759 -1.800) 3.100 12.956 ( 0.161 3.203 0.601) 3.263 15.503 ( -0.235 -0.552 0.095) 0.608 15.530 ( -0.293 -0.260 0.098) 0.404 15.581 ( 0.143 0.720 -0.397) 0.835 16.520 ( 0.860 0.599 0.408) 1.125 16.543 ( 1.119 0.188 -1.101) 1.581 16.594 ( -1.157 1.109 1.344) 2.092 17.915 ( 0.055 -3.246 -0.809) 3.346 18.386 ( 0.412 5.263 0.809) 5.340 18.785 ( -0.314 -2.779 1.394) 3.125 18.854 ( 0.642 3.060 -0.766) 3.219 18.970 ( -1.221 -2.884 0.350) 3.152 19.018 ( -0.156 -1.759 -0.212) 1.778 ======================= Grid point 144 (74/125) ======================= q-point: ( 0.22 -0.33 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 8.645 -16.415 -9.217) 20.716 0.809 ( 18.504 0.528 -6.008) 19.462 1.269 ( 19.136 -3.469 0.366) 19.451 1.518 ( -7.350 1.906 -1.150) 7.679 1.696 ( -2.353 -0.894 1.411) 2.885 1.976 ( 0.271 -2.926 -2.297) 3.730 2.128 ( 1.805 4.027 1.190) 4.571 2.246 ( -1.897 3.210 -2.837) 4.686 2.265 ( -0.737 -2.329 2.206) 3.292 2.471 ( -4.565 3.100 2.853) 6.212 2.580 ( 0.251 -1.511 3.034) 3.399 2.691 ( -2.116 -0.138 0.939) 2.319 2.722 ( 2.207 0.701 1.274) 2.642 2.882 ( -4.274 -0.184 -2.114) 4.772 3.047 ( -4.520 3.220 -3.206) 6.409 3.273 ( -3.123 -1.095 -0.408) 3.334 3.427 ( 1.767 2.434 0.325) 3.026 3.448 ( 1.259 -2.091 -1.147) 2.697 3.492 ( 1.627 -0.889 1.146) 2.180 3.634 ( 1.938 -1.419 -0.006) 2.402 3.750 ( -1.245 1.043 -0.191) 1.635 3.814 ( -3.868 0.980 -1.181) 4.161 3.999 ( -3.379 0.330 -2.531) 4.235 4.068 ( -0.387 -0.962 2.886) 3.067 4.114 ( -1.668 2.813 0.238) 3.279 4.344 ( 1.631 -1.918 2.895) 3.837 4.709 ( -0.569 2.609 3.414) 4.334 5.305 ( 9.085 -4.592 -2.971) 10.604 5.807 ( -0.514 0.735 1.474) 1.726 5.837 ( -0.599 -0.022 -1.256) 1.391 10.838 ( -1.508 0.419 1.216) 1.982 10.868 ( -0.018 0.521 -0.357) 0.632 10.882 ( -0.282 -0.232 -0.431) 0.565 11.041 ( -0.103 -0.443 -0.316) 0.554 11.108 ( 1.062 0.371 -0.026) 1.126 11.152 ( 2.694 -1.243 -1.763) 3.451 11.610 ( -0.485 0.024 -1.017) 1.127 11.701 ( 1.076 -0.790 2.354) 2.706 12.189 ( -4.881 4.793 3.586) 7.724 12.387 ( 0.557 -6.121 -1.023) 6.231 12.486 ( 6.196 1.197 -2.053) 6.636 12.956 ( -5.112 1.788 -0.333) 5.426 15.492 ( 0.159 -0.539 0.446) 0.717 15.503 ( 0.950 0.080 -0.232) 0.981 15.598 ( -1.718 0.609 0.061) 1.823 16.438 ( 0.495 -0.442 -0.319) 0.736 16.558 ( 1.100 -0.091 0.180) 1.119 16.643 ( -0.921 0.453 -0.673) 1.227 17.874 ( 8.650 -3.087 0.089) 9.185 18.566 ( -6.395 0.570 -3.595) 7.359 18.675 ( -6.348 3.903 3.334) 8.164 18.920 ( 1.235 -0.174 -0.785) 1.474 18.998 ( 3.117 -0.698 1.168) 3.401 19.119 ( 0.175 -0.759 0.362) 0.859 ======================= Grid point 145 (75/125) ======================= q-point: ( 0.33 -0.33 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 9.604 1.187 6.890) 11.880 0.867 ( 16.983 2.714 -4.799) 17.856 1.337 ( 1.117 1.990 -1.740) 2.869 1.494 ( -2.264 3.904 0.857) 4.594 1.719 ( 2.593 -3.009 1.327) 4.188 1.871 ( 1.810 -4.374 -6.940) 8.400 2.052 ( -2.994 3.436 -9.310) 10.365 2.217 ( -2.756 2.065 0.565) 3.490 2.357 ( 2.831 1.229 4.432) 5.400 2.488 ( -4.170 4.375 1.440) 6.214 2.614 ( -2.856 0.740 -0.795) 3.056 2.700 ( 4.517 -7.201 2.437) 8.843 2.764 ( 0.637 -6.040 2.001) 6.394 2.821 ( -7.882 6.558 0.595) 10.270 2.983 ( -0.713 1.098 -1.550) 2.029 3.240 ( -2.722 -0.061 -0.310) 2.740 3.401 ( 0.183 1.047 -2.631) 2.837 3.453 ( 2.177 -1.223 -0.807) 2.624 3.504 ( 0.822 -0.394 -0.385) 0.990 3.629 ( 1.687 -1.597 -1.320) 2.672 3.725 ( -3.004 2.744 -2.331) 4.689 3.788 ( -0.209 1.884 -0.187) 1.904 3.951 ( -2.682 -1.001 0.059) 2.864 4.097 ( -0.236 -0.615 0.391) 0.766 4.119 ( -1.753 0.556 1.596) 2.435 4.410 ( 1.187 -4.891 5.014) 7.104 4.746 ( 1.146 -1.972 0.328) 2.304 5.343 ( 6.906 0.505 0.797) 6.970 5.763 ( -1.693 1.517 -3.985) 4.588 5.863 ( 0.386 -0.793 2.440) 2.595 10.824 ( -0.912 -0.895 -1.094) 1.682 10.871 ( 0.054 0.736 -0.202) 0.765 10.885 ( -0.256 -0.135 0.913) 0.958 11.059 ( -0.903 1.579 2.062) 2.750 11.086 ( 1.488 1.360 -3.226) 3.804 11.142 ( 0.165 -0.808 -0.875) 1.202 11.582 ( -0.184 0.524 -1.769) 1.854 11.769 ( 2.206 -3.536 5.172) 6.642 12.253 ( -2.977 4.980 4.090) 7.099 12.321 ( -1.444 -7.788 -1.502) 8.062 12.530 ( 7.180 2.839 -0.780) 7.760 12.914 ( -5.816 1.679 -0.231) 6.058 15.502 ( 0.002 -0.321 0.872) 0.929 15.513 ( 1.440 0.127 0.084) 1.448 15.577 ( -1.729 -0.295 -0.724) 1.898 16.461 ( -0.227 1.238 1.810) 2.204 16.555 ( -0.318 1.596 -1.309) 2.088 16.630 ( -0.027 -1.470 -0.035) 1.471 17.943 ( 9.324 -1.769 0.512) 9.504 18.434 ( -8.434 -1.199 -3.434) 9.185 18.702 ( -4.027 4.591 1.864) 6.385 18.916 ( 1.484 0.845 -1.268) 2.127 19.030 ( 1.862 -1.897 0.773) 2.768 19.103 ( 1.236 -1.663 -1.612) 2.625 ======================= Grid point 146 (76/125) ======================= q-point: ( 0.44 -0.33 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 8.418 14.049 11.793) 20.182 0.943 ( 10.689 1.751 0.866) 10.866 1.318 ( -4.318 3.198 1.158) 5.497 1.504 ( 0.636 5.973 -2.158) 6.383 1.665 ( -2.281 -3.129 -6.494) 7.561 1.791 ( 3.618 -1.409 -3.573) 5.276 1.884 ( -2.201 4.760 -8.705) 10.163 2.214 ( -0.571 -0.472 0.386) 0.836 2.356 ( -3.173 6.533 -6.158) 9.522 2.504 ( -6.136 -0.798 -1.678) 6.412 2.575 ( -1.032 0.842 4.999) 5.173 2.737 ( 2.775 -6.959 1.046) 7.564 2.780 ( -2.857 1.161 2.054) 3.706 2.833 ( 1.873 -1.363 2.830) 3.657 2.991 ( 2.724 -1.716 0.336) 3.237 3.220 ( -2.229 1.490 0.028) 2.682 3.364 ( 0.837 0.091 -2.646) 2.776 3.450 ( 1.829 -0.677 -0.713) 2.076 3.487 ( -0.647 0.592 -1.322) 1.586 3.602 ( 1.425 -1.592 -1.824) 2.809 3.701 ( -1.611 0.754 -0.048) 1.779 3.778 ( -0.289 3.643 -1.364) 3.901 3.938 ( -2.190 -1.699 0.954) 2.931 4.061 ( -0.659 -2.008 -2.573) 3.329 4.150 ( -0.856 1.132 1.896) 2.368 4.491 ( 1.593 -7.409 6.328) 9.873 4.732 ( 1.065 -6.919 -0.186) 7.003 5.433 ( 4.992 4.573 1.957) 7.047 5.679 ( -2.819 1.160 -4.103) 5.111 5.898 ( 0.774 -0.486 1.261) 1.558 10.795 ( -0.110 -0.147 -1.290) 1.303 10.870 ( 0.419 0.339 -0.249) 0.594 10.897 ( -0.117 -0.197 0.576) 0.620 11.042 ( 0.929 1.295 -3.454) 3.804 11.064 ( -2.045 1.224 -1.787) 2.979 11.150 ( -0.833 0.220 2.913) 3.038 11.550 ( 0.029 -0.405 -1.880) 1.924 11.879 ( 4.137 -3.430 6.040) 8.085 12.229 ( -4.375 -9.347 -0.273) 10.324 12.336 ( -0.170 5.869 2.539) 6.397 12.593 ( 6.306 3.038 -0.248) 7.004 12.874 ( -5.459 2.229 0.067) 5.897 15.518 ( -0.217 -0.197 1.033) 1.074 15.527 ( 1.247 -0.351 0.084) 1.298 15.551 ( -1.084 -0.199 -0.427) 1.182 16.492 ( -0.611 1.735 1.181) 2.186 16.533 ( -1.197 1.993 -1.145) 2.592 16.621 ( 0.703 -1.321 -0.678) 1.643 18.016 ( 8.793 -1.167 -0.234) 8.873 18.314 ( -7.981 0.228 -1.989) 8.228 18.717 ( -3.167 2.289 1.448) 4.167 18.907 ( 1.502 1.737 -1.879) 2.967 19.035 ( 0.511 -3.564 0.260) 3.610 19.082 ( 1.934 -1.531 -1.297) 2.787 ======================= Grid point 147 (77/125) ======================= q-point: ( 0.56 -0.33 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 3.600 1.282 1.015) 3.954 1.251 ( 7.669 3.492 6.775) 10.812 1.391 ( -4.627 13.838 11.476) 18.564 1.463 ( -0.621 4.012 -6.126) 7.349 1.497 ( 0.704 -2.820 -9.261) 9.707 1.745 ( -1.784 1.858 -2.662) 3.704 1.787 ( 1.999 7.964 -4.787) 9.504 2.182 ( -3.892 8.125 -6.947) 11.376 2.255 ( 0.237 -2.612 -1.434) 2.989 2.426 ( -3.320 1.769 -1.582) 4.081 2.637 ( -7.972 0.682 4.162) 9.019 2.743 ( 4.460 -6.015 0.219) 7.491 2.801 ( -0.933 2.503 1.561) 3.094 2.904 ( 5.719 -9.106 3.025) 11.171 2.998 ( 1.820 1.008 -1.269) 2.437 3.216 ( -1.513 2.841 -0.239) 3.227 3.323 ( 0.960 -0.056 -2.558) 2.733 3.453 ( 0.038 -0.286 0.832) 0.881 3.474 ( 0.208 0.719 -0.172) 0.768 3.579 ( 1.737 -1.150 -1.798) 2.752 3.652 ( -1.727 -0.795 -3.538) 4.016 3.815 ( 0.524 1.930 2.776) 3.421 3.914 ( -4.596 -2.508 0.821) 5.300 4.011 ( 2.029 -2.435 -1.591) 3.547 4.169 ( -0.546 2.403 -0.128) 2.468 4.580 ( 3.088 -8.529 5.783) 10.758 4.699 ( -1.290 -8.873 0.766) 8.999 5.506 ( 3.676 3.195 -1.159) 5.006 5.605 ( -3.241 3.241 -1.382) 4.787 5.913 ( 0.537 -0.531 0.161) 0.773 10.778 ( 0.228 1.380 -1.144) 1.807 10.877 ( -0.485 0.131 0.962) 1.085 10.900 ( 0.909 -0.506 -0.436) 1.128 10.991 ( -0.568 0.427 -2.745) 2.835 11.022 ( -0.249 1.402 -1.903) 2.377 11.196 ( -0.925 -1.586 2.992) 3.510 11.520 ( 0.074 0.581 -1.468) 1.581 11.995 ( 5.680 -4.792 3.997) 8.438 12.149 ( -5.709 -7.096 0.973) 9.159 12.398 ( 0.252 5.173 1.383) 5.360 12.633 ( 2.956 2.035 -1.337) 3.830 12.861 ( -2.702 3.735 1.124) 4.745 15.517 ( -0.364 -1.081 -0.332) 1.188 15.535 ( -0.240 -0.421 0.922) 1.042 15.554 ( 0.624 0.759 0.349) 1.043 16.508 ( -1.267 1.819 0.482) 2.269 16.522 ( 0.018 1.864 -0.369) 1.900 16.603 ( 0.620 -0.791 -1.331) 1.668 18.041 ( 4.090 -2.813 -2.544) 5.578 18.263 ( -3.362 3.509 1.001) 4.962 18.727 ( -2.341 -0.060 1.858) 2.989 18.892 ( 1.297 2.680 -2.307) 3.767 19.019 ( 0.057 -4.294 -0.087) 4.296 19.070 ( 1.038 -1.747 -0.820) 2.191 ======================= Grid point 148 (78/125) ======================= q-point: (-0.33 -0.33 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -1.488 2.458 -1.053) 3.061 1.261 ( -2.416 -3.698 -3.929) 5.912 1.348 ( -0.123 -0.082 -4.298) 4.300 1.385 ( 4.244 -3.046 -4.251) 6.735 1.688 ( 0.556 6.092 3.821) 7.213 1.715 ( -0.930 10.607 5.582) 12.022 1.834 ( 4.127 14.385 0.924) 14.994 2.046 ( -3.892 9.629 -6.994) 12.521 2.248 ( 1.241 -3.333 0.188) 3.561 2.426 ( 0.441 4.031 1.282) 4.253 2.624 ( -9.689 0.239 3.755) 10.394 2.760 ( 6.178 -3.713 -0.968) 7.272 2.816 ( 1.509 -4.388 -0.251) 4.647 2.915 ( 1.342 -8.186 -0.472) 8.309 2.995 ( -0.369 3.584 -1.350) 3.848 3.208 ( -0.582 2.758 -0.783) 2.925 3.300 ( 0.481 0.167 -0.812) 0.958 3.468 ( 0.847 -0.502 0.199) 1.005 3.496 ( -0.136 1.113 0.914) 1.447 3.555 ( -0.684 -0.848 0.433) 1.173 3.577 ( -0.044 -0.966 -3.262) 3.402 3.797 ( 0.158 -5.779 -2.950) 6.490 3.940 ( -5.450 0.849 5.716) 7.943 4.032 ( 4.893 -0.688 1.641) 5.206 4.164 ( -0.346 3.981 -1.461) 4.254 4.635 ( 1.672 -9.816 0.436) 9.966 4.668 ( -1.536 -7.401 3.903) 8.507 5.465 ( 0.040 -0.694 -3.942) 4.003 5.626 ( -0.227 6.015 1.044) 6.109 5.910 ( 0.146 -0.902 -0.384) 0.992 10.769 ( 0.123 1.880 -0.950) 2.110 10.878 ( -0.936 -0.743 -0.509) 1.299 10.901 ( 0.711 0.068 -0.018) 0.715 10.960 ( 0.148 0.084 -0.079) 0.188 11.013 ( 0.282 1.849 -0.108) 1.873 11.219 ( -0.518 -3.157 1.689) 3.618 11.509 ( 0.123 2.118 -0.637) 2.215 12.002 ( 0.532 -10.163 -1.565) 10.297 12.159 ( -0.322 -0.429 4.518) 4.550 12.432 ( -0.687 3.840 0.074) 3.902 12.613 ( 0.598 1.194 -3.007) 3.290 12.901 ( -0.031 4.660 1.933) 5.045 15.506 ( 0.007 -0.720 -0.254) 0.763 15.543 ( -0.459 -0.591 0.526) 0.915 15.569 ( 0.425 0.801 0.362) 0.976 16.506 ( -0.341 1.376 -0.499) 1.503 16.534 ( 0.207 1.640 -0.009) 1.653 16.588 ( 0.165 -0.114 -0.015) 0.201 17.984 ( -0.141 -3.811 -3.085) 4.905 18.310 ( 0.558 5.599 2.329) 6.090 18.745 ( -1.132 -1.903 2.439) 3.294 18.874 ( 0.795 3.533 -2.407) 4.349 18.996 ( 0.042 -4.451 -0.137) 4.454 19.052 ( -0.140 -2.106 -0.575) 2.188 ======================= Grid point 149 (79/125) ======================= q-point: (-0.22 -0.33 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -3.957 1.820 -11.422) 12.224 1.171 ( 5.940 -0.601 -9.669) 11.364 1.335 ( 2.952 -2.861 5.063) 6.522 1.386 ( -2.892 -2.194 3.555) 5.081 1.672 ( -0.337 -3.354 -1.018) 3.521 1.806 ( 2.229 12.345 -4.907) 13.470 1.912 ( -3.003 12.032 -0.945) 12.437 2.126 ( 3.895 9.744 7.795) 13.072 2.253 ( -1.211 0.639 1.783) 2.247 2.500 ( 2.128 5.046 3.101) 6.293 2.635 ( -6.439 -1.020 5.150) 8.308 2.750 ( -0.899 -11.321 -1.415) 11.444 2.775 ( 5.789 -1.625 -4.533) 7.530 2.860 ( 0.334 -3.174 -1.628) 3.583 2.975 ( -1.232 3.245 -1.417) 3.749 3.220 ( 0.025 2.247 1.083) 2.494 3.301 ( 0.050 -0.398 0.597) 0.719 3.451 ( 0.276 -0.658 -2.241) 2.352 3.491 ( -0.283 -0.091 -0.190) 0.353 3.528 ( -0.159 -0.893 -1.386) 1.657 3.617 ( -0.599 0.734 5.324) 5.407 3.732 ( 1.276 -5.405 -1.398) 5.726 3.984 ( -3.777 0.357 3.705) 5.303 4.098 ( 2.174 1.060 0.386) 2.450 4.169 ( 0.771 5.391 0.273) 5.453 4.561 ( -4.383 -8.775 -1.309) 9.896 4.695 ( 1.733 -6.802 1.409) 7.160 5.399 ( 1.070 -1.334 -3.283) 3.702 5.667 ( -0.296 4.712 0.966) 4.819 5.898 ( 0.129 -1.325 -0.423) 1.397 10.768 ( 0.154 1.473 -0.051) 1.482 10.854 ( 0.110 -1.131 -1.082) 1.569 10.895 ( 0.075 -0.601 -0.369) 0.709 10.995 ( -0.090 1.346 2.689) 3.009 11.035 ( -0.194 2.672 1.282) 2.970 11.218 ( -0.348 -2.800 0.308) 2.839 11.517 ( 0.395 2.442 -0.033) 2.474 11.914 ( -1.219 -8.776 -2.581) 9.228 12.234 ( 1.758 -0.681 3.122) 3.648 12.420 ( -3.114 2.315 -1.318) 4.098 12.570 ( 2.487 0.979 -3.562) 4.453 12.955 ( -0.049 4.370 1.617) 4.660 15.501 ( 0.301 -0.380 -0.150) 0.508 15.539 ( -0.491 -0.680 -0.100) 0.845 15.580 ( -0.062 1.007 0.250) 1.039 16.504 ( 0.895 0.798 -0.591) 1.337 16.532 ( 0.199 0.317 -0.502) 0.626 16.610 ( -0.675 1.446 1.906) 2.486 17.915 ( -0.042 -3.920 -2.451) 4.623 18.385 ( -0.066 6.320 2.537) 6.810 18.775 ( 0.268 -3.158 2.708) 4.168 18.856 ( 0.114 4.128 -2.107) 4.636 18.976 ( 0.389 -4.369 0.053) 4.386 19.028 ( -0.874 -2.252 -0.462) 2.459 ======================= Grid point 150 (80/125) ======================= q-point: (-0.11 -0.33 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 3.695 -3.703 -9.861) 11.162 1.037 ( 11.280 0.335 -12.847) 17.100 1.388 ( 0.278 -1.751 -2.273) 2.883 1.484 ( -1.217 -1.790 10.416) 10.639 1.651 ( 0.608 -3.858 2.018) 4.397 1.777 ( 1.786 10.420 -5.650) 11.986 1.944 ( -1.431 9.715 0.865) 9.858 2.240 ( -1.654 2.922 1.833) 3.825 2.313 ( 0.658 -2.074 2.280) 3.152 2.573 ( -7.183 -0.710 2.301) 7.576 2.644 ( 2.792 -1.821 -0.915) 3.456 2.670 ( -3.094 -6.002 3.224) 7.482 2.731 ( 2.174 2.566 -4.273) 5.438 2.870 ( 3.055 0.035 1.858) 3.576 2.981 ( 2.165 3.137 0.081) 3.812 3.262 ( 0.162 1.472 2.444) 2.857 3.312 ( -0.765 -0.470 1.090) 1.412 3.412 ( 0.080 -0.731 -1.624) 1.782 3.479 ( 0.191 -0.669 -0.393) 0.799 3.523 ( -0.497 -1.338 1.108) 1.807 3.702 ( -0.569 0.892 4.168) 4.300 3.737 ( 1.892 -1.613 2.521) 3.541 4.011 ( -3.579 0.403 2.432) 4.346 4.091 ( -0.672 3.986 -2.071) 4.542 4.216 ( 1.538 4.425 0.171) 4.688 4.446 ( -5.678 -7.779 -2.369) 9.918 4.673 ( -0.368 -4.994 -1.112) 5.129 5.361 ( 4.548 -2.336 -2.845) 5.851 5.702 ( -1.218 2.853 1.699) 3.537 5.887 ( 0.622 -1.203 -0.439) 1.424 10.785 ( 0.238 1.014 0.983) 1.432 10.838 ( 0.233 -1.257 -0.002) 1.279 10.896 ( 0.554 -0.292 0.392) 0.739 11.037 ( -1.176 1.989 1.476) 2.742 11.078 ( -0.513 2.543 2.320) 3.480 11.200 ( -0.365 -1.313 -0.813) 1.587 11.535 ( 0.546 1.808 0.505) 1.955 11.820 ( -0.376 -6.460 -3.207) 7.222 12.275 ( -1.223 -1.003 1.060) 1.904 12.373 ( -1.789 1.181 -1.694) 2.732 12.542 ( 4.221 0.106 -3.346) 5.387 12.992 ( -1.092 3.678 0.909) 3.943 15.499 ( 0.148 -0.493 -0.163) 0.540 15.528 ( -0.024 -0.469 -0.578) 0.745 15.586 ( -0.781 1.385 0.247) 1.609 16.505 ( 1.323 0.279 -0.584) 1.473 16.535 ( 0.538 -0.701 0.514) 1.022 16.642 ( -1.590 2.552 1.477) 3.351 17.865 ( 1.439 -3.843 -1.860) 4.506 18.452 ( -1.644 6.453 2.645) 7.165 18.802 ( -0.864 -2.323 1.391) 2.842 18.851 ( 1.234 2.723 -0.224) 2.998 18.965 ( 0.347 -4.266 0.621) 4.324 19.004 ( -0.019 -1.931 -0.454) 1.984 ======================= Grid point 153 (81/125) ======================= q-point: ( 0.22 -0.22 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 11.464 3.001 5.956) 13.264 0.540 ( 19.597 3.683 -2.577) 20.106 1.188 ( 16.313 -8.597 9.080) 20.554 1.596 ( -8.766 4.928 0.845) 10.091 1.736 ( -3.923 2.351 -1.004) 4.682 1.874 ( -1.773 -6.600 -6.926) 9.730 2.072 ( 0.359 2.736 -6.843) 7.378 2.254 ( -0.082 0.815 2.349) 2.488 2.307 ( 2.502 1.258 1.111) 3.013 2.529 ( -0.114 -1.536 2.213) 2.696 2.632 ( -2.687 2.677 1.266) 3.998 2.691 ( -1.170 -0.687 -1.291) 1.873 2.748 ( 1.348 -3.177 2.499) 4.261 2.913 ( -3.818 1.374 0.582) 4.099 3.013 ( -2.083 2.657 -5.143) 6.152 3.296 ( -4.001 0.841 -0.309) 4.100 3.393 ( 0.801 -0.899 -2.393) 2.679 3.420 ( 1.841 0.461 -1.142) 2.215 3.480 ( 1.922 -0.969 0.155) 2.158 3.598 ( 2.172 -1.756 -1.345) 3.100 3.771 ( -2.172 3.878 -0.602) 4.485 3.813 ( -3.109 0.682 -2.485) 4.038 3.995 ( -2.678 1.209 -0.873) 3.065 4.110 ( -1.198 -0.770 0.998) 1.739 4.155 ( -2.715 0.835 1.689) 3.304 4.381 ( 2.304 -3.721 4.240) 6.093 4.724 ( 1.740 -2.548 -1.397) 3.387 5.216 ( 8.002 -0.320 2.675) 8.443 5.785 ( -1.036 1.428 -3.017) 3.495 5.859 ( 0.256 -1.071 1.753) 2.070 10.842 ( -1.222 -1.061 -1.640) 2.304 10.873 ( -0.244 1.400 -1.148) 1.827 10.893 ( -0.898 0.079 1.455) 1.712 11.056 ( 0.888 1.541 -1.130) 2.107 11.081 ( -0.682 0.654 2.771) 2.928 11.137 ( 0.504 -1.117 0.707) 1.414 11.589 ( -0.659 1.484 -2.173) 2.713 11.732 ( 2.328 -3.524 3.121) 5.252 12.288 ( -1.016 2.811 1.705) 3.441 12.351 ( -2.153 -6.249 0.539) 6.632 12.425 ( 5.258 3.312 -0.240) 6.218 12.999 ( -4.483 1.467 -0.226) 4.722 15.495 ( 0.732 0.079 0.045) 0.737 15.499 ( 0.315 -0.270 0.778) 0.882 15.607 ( -1.908 0.076 -0.733) 2.045 16.464 ( -0.302 1.410 2.207) 2.636 16.547 ( 1.263 0.654 -0.347) 1.464 16.650 ( -2.498 -1.025 0.645) 2.776 17.812 ( 6.523 -1.864 1.567) 6.962 18.558 ( -6.907 0.153 -3.752) 7.862 18.775 ( -4.400 3.408 1.188) 5.691 18.890 ( 1.497 -0.370 -1.161) 1.930 18.987 ( 3.450 0.262 0.672) 3.524 19.070 ( 2.944 -2.738 -3.743) 5.493 ======================= Grid point 154 (82/125) ======================= q-point: ( 0.33 -0.22 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 17.983 8.558 0.374) 19.919 0.785 ( 7.313 10.156 14.750) 19.344 1.348 ( 2.051 -1.366 3.638) 4.394 1.585 ( -7.730 5.807 1.965) 9.866 1.688 ( -0.947 -6.408 -9.071) 11.146 1.727 ( 2.712 0.025 0.244) 2.723 1.937 ( -4.019 3.756 -7.455) 9.264 2.242 ( -2.835 0.338 -1.078) 3.052 2.360 ( 2.914 1.110 -0.796) 3.218 2.593 ( -1.309 2.149 3.074) 3.972 2.618 ( -6.124 0.943 -1.369) 6.345 2.662 ( 4.067 -4.962 1.871) 6.683 2.750 ( 1.735 -6.779 0.213) 7.001 2.922 ( -5.468 6.381 0.540) 8.421 2.936 ( 2.879 0.603 -3.023) 4.218 3.265 ( -3.290 1.577 -0.488) 3.681 3.351 ( 0.819 -1.233 -2.561) 2.957 3.416 ( 1.887 -0.090 -0.592) 1.980 3.488 ( 0.819 -0.194 -0.431) 0.945 3.573 ( 1.915 -1.933 -2.048) 3.406 3.737 ( -2.586 2.042 -1.554) 3.643 3.776 ( 0.070 2.404 -2.128) 3.212 3.985 ( -2.913 0.681 1.608) 3.396 4.081 ( -1.852 -2.550 -2.001) 3.733 4.173 ( -1.989 1.327 1.733) 2.953 4.453 ( 2.835 -7.113 4.571) 8.918 4.706 ( 2.365 -5.309 -0.068) 5.813 5.337 ( 6.273 3.629 2.966) 7.831 5.720 ( -2.291 0.895 -3.270) 4.092 5.885 ( 0.844 -0.499 1.108) 1.480 10.801 ( -0.693 -0.431 -1.540) 1.743 10.857 ( 0.900 0.712 -1.098) 1.588 10.902 ( -0.299 -0.011 0.194) 0.357 11.038 ( -0.632 0.698 -1.329) 1.629 11.098 ( -2.011 0.268 -1.596) 2.581 11.161 ( -0.471 1.184 3.036) 3.292 11.551 ( -0.248 0.197 -2.065) 2.090 11.810 ( 4.263 -3.884 4.520) 7.327 12.291 ( -2.159 -5.923 -0.163) 6.306 12.339 ( -0.796 2.117 1.814) 2.899 12.499 ( 4.672 4.294 1.586) 6.541 12.961 ( -4.999 1.400 -0.359) 5.204 15.504 ( 1.060 0.008 0.101) 1.065 15.518 ( 0.359 -0.135 1.035) 1.104 15.578 ( -1.976 -0.342 -0.546) 2.078 16.494 ( 0.177 1.401 0.646) 1.552 16.548 ( 0.095 1.511 -0.745) 1.688 16.631 ( -2.352 -1.146 0.011) 2.616 17.886 ( 6.848 -1.051 1.311) 7.052 18.439 ( -7.309 0.675 -3.086) 7.962 18.776 ( -3.763 1.988 1.207) 4.423 18.878 ( 1.852 0.782 -1.891) 2.760 19.017 ( 1.770 -1.912 0.522) 2.657 19.034 ( 3.957 -2.024 -2.184) 4.952 ======================= Grid point 155 (83/125) ======================= q-point: ( 0.44 -0.22 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 12.615 3.876 2.076) 13.359 1.135 ( 6.574 8.930 11.253) 15.799 1.386 ( -0.461 2.283 -0.251) 2.343 1.503 ( 0.209 -3.114 -7.627) 8.240 1.582 ( -8.194 5.284 3.386) 10.321 1.755 ( 1.008 1.273 -0.599) 1.731 1.818 ( -5.596 7.001 -3.584) 9.652 2.204 ( -0.671 -0.604 -1.290) 1.574 2.301 ( -3.477 5.991 -6.926) 9.796 2.498 ( -5.263 0.384 -3.259) 6.202 2.666 ( 2.954 -7.573 -0.030) 8.129 2.713 ( -1.288 1.598 5.814) 6.166 2.789 ( 7.388 -7.559 3.107) 11.017 2.867 ( -3.820 1.862 -2.398) 4.879 2.964 ( 1.412 4.100 0.205) 4.342 3.239 ( -1.383 1.941 -1.391) 2.760 3.313 ( 0.270 -0.619 -1.573) 1.712 3.432 ( 1.568 -0.442 0.712) 1.778 3.482 ( -0.370 0.159 0.226) 0.462 3.549 ( 1.974 -1.366 -1.526) 2.844 3.680 ( -1.594 -0.318 -3.969) 4.289 3.782 ( 2.870 1.276 0.592) 3.197 3.993 ( -0.195 -2.735 -1.975) 3.379 4.008 ( -5.776 -0.395 1.871) 6.084 4.183 ( -1.285 2.528 -0.209) 2.843 4.516 ( 4.373 -9.223 3.614) 10.828 4.709 ( 0.453 -6.118 1.851) 6.408 5.437 ( 4.718 3.923 0.784) 6.186 5.654 ( -2.867 1.359 -2.160) 3.838 5.904 ( 0.720 -0.294 0.415) 0.881 10.777 ( -0.198 1.028 -1.025) 1.465 10.861 ( 1.521 -0.093 0.108) 1.528 10.901 ( -0.053 0.068 0.038) 0.094 11.005 ( -1.417 0.116 -1.713) 2.226 11.042 ( -1.866 1.014 -2.528) 3.302 11.206 ( -0.215 -1.205 2.092) 2.424 11.522 ( -0.389 1.009 -1.150) 1.578 11.906 ( 5.272 -4.631 3.774) 7.968 12.236 ( -4.557 -6.003 0.662) 7.566 12.379 ( 1.767 3.533 0.476) 3.979 12.581 ( 2.924 3.749 1.542) 4.999 12.924 ( -4.381 2.086 -0.183) 4.856 15.512 ( 0.886 -0.484 -0.102) 1.015 15.532 ( 0.204 -0.506 0.376) 0.663 15.562 ( -1.242 0.386 0.520) 1.401 16.512 ( 0.394 1.637 0.562) 1.775 16.537 ( -0.906 1.555 -0.904) 2.015 16.604 ( -1.118 -0.908 -0.822) 1.658 17.949 ( 5.974 -1.372 0.219) 6.133 18.349 ( -6.207 2.169 -1.367) 6.716 18.775 ( -3.222 -0.347 1.624) 3.625 18.864 ( 1.932 2.250 -2.302) 3.754 19.009 ( 1.318 -4.076 -0.460) 4.309 19.039 ( 2.496 -0.738 -0.476) 2.646 ======================= Grid point 156 (84/125) ======================= q-point: ( 0.56 -0.22 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 7.989 2.591 -1.407) 8.516 1.275 ( 1.440 -4.270 -2.091) 4.968 1.319 ( -0.184 -2.530 -1.379) 2.888 1.415 ( -2.522 0.925 -3.041) 4.058 1.694 ( -0.428 5.807 3.212) 6.649 1.757 ( -4.671 10.490 4.779) 12.438 1.816 ( -2.273 10.717 3.384) 11.466 2.131 ( -5.700 11.532 -8.760) 15.563 2.214 ( 2.076 -3.554 -0.140) 4.118 2.435 ( -1.594 1.344 -1.054) 2.336 2.648 ( 5.664 -2.756 -3.066) 7.006 2.777 ( -3.957 -3.307 4.128) 6.606 2.804 ( -2.367 -3.111 -0.492) 3.940 2.864 ( 4.016 -5.974 2.456) 7.606 2.994 ( 0.492 4.658 -0.453) 4.706 3.215 ( -0.266 2.350 -1.398) 2.748 3.297 ( -0.229 -0.004 -0.203) 0.306 3.452 ( 0.940 -1.261 0.755) 1.745 3.499 ( -0.030 0.839 0.536) 0.996 3.546 ( 1.168 -0.657 0.777) 1.550 3.588 ( -0.893 -0.671 -4.035) 4.187 3.799 ( 0.245 -4.056 -1.516) 4.337 3.947 ( 4.741 -2.105 -0.633) 5.226 4.036 ( -5.952 1.646 4.834) 7.842 4.173 ( -0.688 3.666 -1.531) 4.032 4.562 ( 5.335 -9.657 2.174) 11.244 4.708 ( -1.414 -6.159 1.498) 6.494 5.460 ( 0.816 0.348 -1.940) 2.134 5.630 ( -0.611 4.206 -0.251) 4.258 5.908 ( 0.108 -0.617 0.026) 0.627 10.769 ( -0.162 1.646 -0.563) 1.747 10.866 ( 1.253 -0.983 -1.234) 2.014 10.916 ( -0.795 1.044 2.060) 2.442 10.962 ( -0.748 -0.535 -1.578) 1.826 11.013 ( -0.399 1.522 -0.190) 1.585 11.220 ( 0.464 -2.906 0.673) 3.019 11.514 ( -0.728 2.292 -0.249) 2.418 11.960 ( 3.917 -7.564 0.786) 8.554 12.199 ( -3.589 -2.306 1.708) 4.596 12.413 ( 2.498 3.227 -0.548) 4.117 12.614 ( -0.497 1.948 -0.710) 2.132 12.917 ( -1.827 3.647 0.984) 4.196 15.506 ( 0.004 -0.886 -0.405) 0.974 15.538 ( 0.740 -0.214 0.072) 0.773 15.572 ( -0.567 0.625 0.830) 1.184 16.515 ( -0.584 1.290 -1.187) 1.847 16.537 ( -0.592 1.599 0.623) 1.816 16.585 ( 0.141 -0.332 0.052) 0.364 17.962 ( 2.561 -3.004 -1.716) 4.304 18.327 ( -2.573 4.607 1.382) 5.455 18.778 ( -2.381 -2.348 2.057) 3.926 18.852 ( 1.554 3.684 -2.317) 4.621 18.990 ( 0.705 -4.079 -0.440) 4.163 19.043 ( 1.251 -1.593 -0.263) 2.042 ======================= Grid point 157 (85/125) ======================= q-point: (-0.33 -0.22 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 3.901 1.855 -12.397) 13.128 1.165 ( -5.913 0.199 -10.297) 11.876 1.290 ( 2.648 -2.301 4.524) 5.725 1.433 ( -2.659 -3.118 6.144) 7.385 1.684 ( -0.838 -5.125 -0.644) 5.233 1.805 ( -2.239 12.956 -3.264) 13.547 1.971 ( -3.554 11.549 0.228) 12.085 2.086 ( 0.754 11.501 5.745) 12.878 2.241 ( 2.234 0.813 1.868) 3.024 2.449 ( 3.207 1.429 1.103) 3.681 2.629 ( 7.997 0.418 -4.536) 9.204 2.767 ( -3.530 -7.247 1.117) 8.138 2.788 ( -5.964 -1.275 3.688) 7.127 2.863 ( -0.071 -5.719 -1.362) 5.880 2.991 ( -0.354 2.318 -1.552) 2.812 3.221 ( -0.186 2.865 0.959) 3.027 3.300 ( 0.104 -0.645 0.768) 1.009 3.445 ( 0.334 -1.822 -1.585) 2.437 3.494 ( -0.047 0.707 -0.612) 0.936 3.527 ( 0.341 -0.630 -0.998) 1.228 3.620 ( 0.360 0.712 4.770) 4.837 3.728 ( -0.897 -4.988 -1.883) 5.407 3.991 ( 4.308 0.492 0.308) 4.347 4.091 ( -2.812 0.862 4.265) 5.180 4.165 ( -0.122 4.988 -0.754) 5.047 4.576 ( 3.246 -8.504 -0.183) 9.104 4.681 ( -0.843 -6.803 0.443) 6.870 5.406 ( -1.730 -1.590 -2.992) 3.804 5.659 ( 1.129 4.949 0.439) 5.095 5.901 ( -0.474 -1.336 -0.109) 1.422 10.770 ( -0.388 1.519 0.141) 1.574 10.843 ( 0.867 -0.992 -1.287) 1.842 10.910 ( -1.522 -1.062 -0.693) 1.982 10.989 ( 0.716 1.830 3.150) 3.712 11.036 ( 0.057 2.362 1.625) 2.868 11.213 ( 0.887 -2.593 -0.514) 2.789 11.520 ( -0.671 2.343 0.232) 2.448 11.922 ( 0.379 -9.238 -1.973) 9.454 12.217 ( 0.042 0.080 2.114) 2.116 12.429 ( 2.320 2.248 -1.448) 3.540 12.572 ( -2.733 0.725 -2.904) 4.053 12.955 ( 0.035 4.377 1.622) 4.668 15.497 ( 0.169 -0.352 -0.315) 0.502 15.540 ( 0.424 -0.456 -0.328) 0.704 15.584 ( -0.320 0.764 0.614) 1.030 16.498 ( -0.245 0.872 -0.874) 1.259 16.534 ( -0.393 0.324 -0.540) 0.742 16.615 ( 0.172 1.355 2.278) 2.656 17.915 ( 0.096 -3.906 -2.542) 4.661 18.386 ( -0.168 6.211 3.130) 6.957 18.786 ( -1.130 -3.540 2.147) 4.292 18.844 ( 0.870 4.497 -1.938) 4.974 18.968 ( 0.474 -4.251 -0.417) 4.298 19.036 ( 0.122 -2.253 -0.148) 2.261 ======================= Grid point 158 (86/125) ======================= q-point: (-0.22 -0.22 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 0.481 2.100 -15.589) 15.738 0.917 ( -0.173 -0.208 -14.436) 14.438 1.371 ( 1.553 -2.367 -0.098) 2.832 1.531 ( -3.684 -3.147 9.516) 10.678 1.640 ( 0.724 -7.717 2.256) 8.072 1.768 ( -0.720 13.744 -5.409) 14.787 1.992 ( -3.703 8.688 0.621) 9.464 2.223 ( 2.469 3.591 2.860) 5.212 2.312 ( 0.332 2.011 1.857) 2.757 2.535 ( 7.272 0.141 2.654) 7.742 2.636 ( 7.264 3.460 -2.865) 8.541 2.687 ( -5.039 -6.827 -1.326) 8.588 2.785 ( -7.491 -5.011 1.771) 9.185 2.837 ( 0.043 0.410 2.996) 3.024 2.971 ( -0.285 2.387 -1.232) 2.701 3.263 ( -0.302 2.087 2.491) 3.263 3.319 ( 0.081 -1.061 1.729) 2.030 3.409 ( 0.260 -0.423 -2.015) 2.075 3.479 ( -0.042 -0.811 -0.686) 1.063 3.532 ( -0.422 -1.364 1.375) 1.982 3.703 ( 0.304 0.033 3.206) 3.220 3.716 ( 0.532 0.212 3.116) 3.168 4.022 ( 2.114 2.660 -0.592) 3.449 4.117 ( -2.227 1.038 0.993) 2.650 4.198 ( 0.737 4.377 0.707) 4.495 4.517 ( -1.864 -6.616 -2.813) 7.427 4.657 ( 1.525 -7.715 0.293) 7.870 5.325 ( -0.475 -2.184 -4.031) 4.609 5.705 ( 0.879 3.988 1.425) 4.325 5.886 ( -0.539 -1.880 -0.244) 1.971 10.786 ( -0.314 1.109 1.389) 1.805 10.831 ( 0.615 -0.828 -0.326) 1.082 10.894 ( -0.397 -0.659 0.444) 0.888 11.047 ( -0.003 2.341 1.499) 2.780 11.087 ( -0.611 2.685 2.924) 4.017 11.192 ( 1.181 -1.129 -1.843) 2.463 11.534 ( -0.305 1.678 0.776) 1.873 11.832 ( -0.888 -8.079 -3.095) 8.697 12.257 ( 1.612 -0.385 1.554) 2.272 12.420 ( 0.052 0.823 -1.681) 1.872 12.495 ( -0.969 0.722 -3.945) 4.126 13.002 ( -0.023 4.028 1.193) 4.201 15.494 ( 0.376 -0.029 -0.204) 0.428 15.528 ( -0.004 -0.649 -0.803) 1.033 15.597 ( -0.353 1.216 0.635) 1.416 16.491 ( 0.316 0.549 -0.404) 0.751 16.527 ( 0.297 -0.298 -0.073) 0.427 16.662 ( -0.680 2.257 2.095) 3.154 17.853 ( 0.086 -3.759 -2.354) 4.437 18.474 ( -0.810 6.657 3.631) 7.626 18.801 ( 0.422 -3.230 1.788) 3.716 18.843 ( 0.208 3.956 -1.023) 4.091 18.947 ( 1.080 -4.465 -0.186) 4.598 19.018 ( -0.906 -2.925 -0.159) 3.066 ======================= Grid point 159 (87/125) ======================= q-point: (-0.11 -0.22 0.11) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 6.981 -3.463 -10.491) 13.068 0.687 ( 10.294 0.523 -16.532) 19.482 1.217 ( 0.682 -14.451 -11.960) 18.771 1.674 ( 0.416 -0.194 9.424) 9.436 1.733 ( -2.471 -0.625 7.651) 8.065 1.744 ( -0.994 12.122 -3.788) 12.739 2.016 ( -1.187 5.659 1.565) 5.990 2.282 ( -1.299 -5.573 -2.653) 6.307 2.287 ( 1.734 0.531 1.420) 2.303 2.557 ( 1.219 -2.470 -2.527) 3.738 2.654 ( -2.590 1.627 1.317) 3.330 2.700 ( 4.298 4.240 1.057) 6.129 2.727 ( -4.836 -4.620 0.934) 6.753 2.911 ( -0.375 1.132 3.613) 3.805 2.983 ( 2.574 2.837 0.899) 3.935 3.314 ( -0.433 1.717 2.389) 2.974 3.345 ( -1.070 0.191 1.658) 1.983 3.389 ( 1.004 -0.871 0.118) 1.335 3.465 ( 0.353 -1.689 -0.384) 1.768 3.546 ( -0.520 -1.790 1.655) 2.492 3.776 ( 1.285 1.899 2.634) 3.493 3.782 ( -0.379 1.844 3.958) 4.383 4.033 ( 0.772 4.244 -1.014) 4.431 4.115 ( -2.567 0.772 0.599) 2.747 4.218 ( 0.256 4.224 -1.411) 4.461 4.406 ( -3.980 -5.460 -3.450) 7.587 4.644 ( 0.186 -6.096 1.546) 6.292 5.244 ( 3.495 -3.487 -5.127) 7.118 5.756 ( -0.272 2.344 2.256) 3.264 5.868 ( 0.083 -1.491 -0.622) 1.618 10.816 ( -1.037 0.585 1.719) 2.091 10.843 ( 1.066 -0.317 1.720) 2.048 10.908 ( -0.136 0.642 0.974) 1.174 11.062 ( -0.642 2.221 -0.568) 2.380 11.127 ( -1.404 0.853 0.882) 1.864 11.163 ( 1.791 0.543 -2.657) 3.250 11.561 ( 0.069 1.327 1.876) 2.299 11.739 ( -0.638 -5.519 -2.846) 6.242 12.286 ( 0.860 -1.203 0.792) 1.677 12.373 ( -4.085 0.264 -1.583) 4.389 12.447 ( 4.111 0.304 -3.373) 5.326 13.031 ( -0.908 3.377 0.568) 3.542 15.493 ( 0.119 -0.249 -0.222) 0.354 15.510 ( 0.193 -0.459 -0.910) 1.037 15.610 ( -0.893 1.653 0.718) 2.011 16.492 ( 0.697 0.453 -0.316) 0.889 16.533 ( 0.828 -1.141 0.316) 1.445 16.688 ( -1.891 3.526 0.344) 4.016 17.802 ( 0.994 -3.156 -2.234) 3.992 18.553 ( -2.396 6.312 3.414) 7.566 18.821 ( 0.082 0.168 0.746) 0.769 18.855 ( 0.923 0.682 0.831) 1.417 18.947 ( 3.098 -4.929 1.311) 5.967 18.987 ( -1.541 -3.598 -0.470) 3.942 ======================= Grid point 189 (88/125) ======================= q-point: ( 0.22 -0.78 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 0.000 -1.294) 1.294 1.091 ( -0.000 -0.000 -1.294) 1.294 1.541 ( -0.000 0.000 10.579) 10.579 1.541 ( 0.000 0.000 10.579) 10.579 1.753 ( -0.000 0.000 7.317) 7.317 2.076 ( 0.000 -0.000 -6.148) 6.148 2.164 ( 0.000 -0.000 -4.066) 4.066 2.164 ( 0.000 -0.000 -4.066) 4.066 2.220 ( 0.000 -0.000 -0.802) 0.802 2.325 ( -0.000 0.000 0.029) 0.029 2.637 ( 0.000 0.000 -4.562) 4.562 2.637 ( 0.000 0.000 -4.562) 4.562 2.664 ( -0.000 0.000 1.978) 1.978 2.918 ( 0.000 0.000 1.183) 1.183 2.918 ( 0.000 -0.000 1.183) 1.183 3.324 ( -0.000 0.000 3.305) 3.305 3.324 ( 0.000 0.000 3.305) 3.305 3.430 ( 0.000 -0.000 -5.666) 5.666 3.527 ( -0.000 0.000 0.433) 0.433 3.575 ( 0.000 -0.000 2.715) 2.715 3.575 ( -0.000 -0.000 2.715) 2.715 3.780 ( -0.000 0.000 7.681) 7.681 3.916 ( 0.000 0.000 -2.655) 2.655 3.916 ( 0.000 0.000 -2.655) 2.655 4.348 ( 0.000 -0.000 -8.559) 8.559 4.363 ( 0.000 -0.000 0.257) 0.257 4.363 ( 0.000 0.000 0.257) 0.257 5.535 ( -0.000 0.000 5.702) 5.702 5.820 ( 0.000 0.000 -0.657) 0.657 5.820 ( 0.000 0.000 -0.657) 0.657 10.860 ( 0.000 -0.000 1.053) 1.053 10.860 ( 0.000 0.000 1.053) 1.053 10.870 ( 0.000 -0.000 -3.054) 3.054 11.006 ( -0.000 0.000 4.951) 4.951 11.090 ( 0.000 0.000 0.218) 0.218 11.090 ( -0.000 0.000 0.218) 0.218 11.688 ( 0.000 -0.000 0.643) 0.643 11.688 ( 0.000 -0.000 0.643) 0.643 12.054 ( 0.000 -0.000 -7.338) 7.338 12.598 ( 0.000 -0.000 1.013) 1.013 12.598 ( 0.000 0.000 1.013) 1.013 12.931 ( 0.000 -0.000 -3.445) 3.445 15.512 ( 0.000 0.000 -0.199) 0.199 15.512 ( -0.000 -0.000 -0.199) 0.199 15.577 ( 0.000 -0.000 -0.533) 0.533 16.555 ( 0.000 -0.000 0.734) 0.734 16.555 ( 0.000 0.000 0.734) 0.734 16.570 ( 0.000 -0.000 -0.871) 0.871 18.016 ( -0.000 0.000 5.629) 5.629 18.494 ( 0.000 -0.000 -2.917) 2.917 18.494 ( 0.000 -0.000 -2.917) 2.917 18.913 ( -0.000 0.000 0.449) 0.449 19.021 ( -0.000 -0.000 1.836) 1.836 19.021 ( 0.000 -0.000 1.836) 1.836 ======================= Grid point 192 (89/125) ======================= q-point: (-0.67 0.22 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -3.180 -1.581 0.616) 3.604 1.124 ( 3.131 1.915 0.289) 3.682 1.686 ( -5.351 -1.142 10.231) 11.602 1.730 ( 0.924 -0.551 8.109) 8.180 1.810 ( -4.489 -8.559 -4.942) 10.855 1.911 ( -8.101 0.038 -2.765) 8.560 2.029 ( 0.110 -0.444 -3.796) 3.824 2.142 ( 4.249 1.470 -1.783) 4.837 2.255 ( 4.673 5.337 -1.423) 7.235 2.338 ( -1.789 -1.721 1.289) 2.797 2.496 ( -1.622 -1.255 -5.324) 5.705 2.593 ( 5.264 3.096 -5.682) 8.342 2.706 ( -1.416 -0.517 2.638) 3.039 2.916 ( -0.554 -0.932 1.698) 2.015 2.967 ( 2.782 1.619 -0.523) 3.261 3.331 ( -1.590 -0.785 -3.102) 3.573 3.374 ( -0.725 -1.258 3.164) 3.481 3.398 ( 1.137 1.297 2.500) 3.037 3.532 ( -0.489 -0.240 0.218) 0.586 3.614 ( -0.779 -1.291 3.584) 3.888 3.641 ( 1.773 1.777 2.578) 3.599 3.869 ( -3.978 1.229 0.116) 4.166 3.900 ( 0.737 -0.855 4.987) 5.113 3.928 ( 4.026 0.393 0.718) 4.108 4.180 ( 0.392 0.077 -9.672) 9.680 4.353 ( -1.814 -1.496 1.430) 2.752 4.424 ( 4.363 2.994 1.748) 5.573 5.636 ( -0.291 -0.347 5.767) 5.784 5.745 ( -5.062 -2.397 -2.600) 6.175 5.836 ( 3.435 1.658 -1.881) 4.253 10.819 ( -0.589 -0.418 -1.823) 1.961 10.868 ( -0.348 0.322 0.462) 0.661 10.878 ( 0.999 0.095 -0.134) 1.012 11.085 ( -2.237 0.052 2.958) 3.709 11.099 ( 0.629 -1.522 1.277) 2.084 11.121 ( 1.403 1.416 2.948) 3.559 11.651 ( -4.729 -2.341 1.673) 5.536 11.768 ( 5.042 1.996 1.544) 5.638 11.916 ( 1.539 1.422 -8.643) 8.894 12.568 ( -3.799 -2.083 -0.045) 4.333 12.632 ( 1.469 0.700 -0.211) 1.641 12.872 ( 0.834 0.480 -3.355) 3.490 15.506 ( -0.442 -0.104 0.114) 0.468 15.514 ( 0.341 0.173 -0.133) 0.405 15.567 ( -0.033 -0.149 -0.496) 0.519 16.544 ( -1.300 -0.504 -0.804) 1.610 16.565 ( -0.407 1.020 0.130) 1.105 16.577 ( 1.775 -0.482 0.516) 1.910 18.106 ( -3.121 -1.541 5.611) 6.603 18.405 ( -0.802 -2.488 -2.014) 3.299 18.501 ( 4.545 4.480 -2.968) 7.039 18.922 ( 0.566 0.334 0.243) 0.701 19.037 ( -1.718 -1.315 1.923) 2.894 19.064 ( 0.528 0.540 1.971) 2.111 ======================= Grid point 193 (90/125) ======================= q-point: (-0.56 0.22 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -5.136 -2.518 -1.227) 5.850 1.140 ( -2.832 1.223 -0.771) 3.180 1.506 ( -1.907 -15.899 -13.481) 20.932 1.663 ( -10.354 4.496 -7.963) 13.814 1.792 ( -8.717 -0.924 7.476) 11.521 1.952 ( -0.409 -3.974 8.571) 9.456 2.035 ( 2.203 1.529 0.213) 2.690 2.185 ( 8.295 2.736 -4.778) 9.956 2.270 ( -0.667 -1.077 3.157) 3.401 2.319 ( -2.449 4.555 0.061) 5.172 2.489 ( 4.097 2.733 1.359) 5.109 2.569 ( 10.377 1.430 -4.982) 11.599 2.723 ( -4.306 -1.662 2.837) 5.417 2.938 ( -1.760 2.282 -0.440) 2.915 2.964 ( 2.947 -1.168 -0.832) 3.278 3.279 ( -0.018 0.284 -1.765) 1.788 3.409 ( -0.882 -1.824 2.448) 3.178 3.458 ( 0.401 0.391 2.895) 2.949 3.518 ( -1.041 -0.237 -1.011) 1.470 3.663 ( -1.317 -0.975 3.024) 3.439 3.708 ( 2.656 1.891 1.985) 3.817 3.830 ( -4.300 0.932 -2.431) 5.027 3.963 ( 3.788 -1.020 0.990) 4.046 3.982 ( 2.688 1.702 0.940) 3.317 4.068 ( 0.852 0.290 -2.443) 2.604 4.364 ( -2.328 -1.266 2.404) 3.578 4.526 ( 4.381 2.586 4.351) 6.694 5.608 ( -7.205 -4.378 -3.915) 9.295 5.739 ( -0.083 1.012 4.510) 4.623 5.828 ( 3.121 1.048 -2.776) 4.306 10.800 ( 0.157 0.080 0.014) 0.176 10.872 ( 0.232 0.047 -0.249) 0.344 10.879 ( 0.366 0.226 -0.253) 0.499 11.086 ( -0.946 0.036 -1.159) 1.496 11.110 ( -0.381 -0.026 0.761) 0.851 11.193 ( -0.276 -0.918 2.857) 3.013 11.653 ( -4.395 -0.305 3.349) 5.534 11.728 ( 0.311 -3.031 -5.905) 6.645 11.929 ( 7.658 5.647 2.443) 9.824 12.520 ( -3.824 -2.486 -0.621) 4.603 12.610 ( -2.268 -1.181 -1.806) 3.131 12.850 ( 3.866 2.200 -2.022) 4.886 15.506 ( -0.715 0.275 0.229) 0.800 15.515 ( -0.025 -0.353 0.065) 0.359 15.562 ( 0.610 -0.039 -0.138) 0.627 16.504 ( -1.680 -0.127 -2.134) 2.719 16.565 ( 0.491 0.381 -0.668) 0.912 16.604 ( 1.233 -0.224 1.344) 1.837 18.103 ( -9.365 -4.557 1.742) 10.560 18.421 ( 7.593 -3.043 1.412) 8.301 18.513 ( 3.338 8.800 -2.516) 9.742 18.930 ( 0.488 0.423 -0.140) 0.661 19.044 ( -2.311 -1.973 1.631) 3.449 19.103 ( 0.078 0.281 1.891) 1.914 ======================= Grid point 194 (91/125) ======================= q-point: (-0.44 0.22 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -13.563 -0.574 -6.838) 15.201 0.971 ( -11.605 -15.176 -8.571) 20.939 1.308 ( 6.454 -3.301 -4.581) 8.575 1.514 ( -4.724 5.259 -3.777) 8.015 1.785 ( -10.157 -2.831 2.763) 10.900 2.027 ( -3.276 0.362 1.190) 3.504 2.087 ( 2.028 -1.899 3.293) 4.309 2.137 ( 9.225 1.758 -7.403) 11.958 2.304 ( -3.091 4.588 0.123) 5.533 2.379 ( 5.766 0.780 2.627) 6.384 2.575 ( 2.897 1.683 2.769) 4.347 2.625 ( 9.847 0.518 0.869) 9.899 2.730 ( -3.587 -1.981 3.536) 5.413 2.882 ( -2.088 -0.597 -3.055) 3.749 2.993 ( 1.504 3.005 0.192) 3.365 3.264 ( 0.871 1.092 -1.060) 1.754 3.416 ( -0.416 -1.755 -0.550) 1.886 3.485 ( -1.560 -0.227 -0.938) 1.834 3.502 ( 0.196 -0.404 1.619) 1.680 3.676 ( -2.863 0.273 0.447) 2.911 3.736 ( 0.016 -1.233 -3.490) 3.702 3.767 ( 2.891 1.855 -0.291) 3.447 3.983 ( 0.242 3.665 -0.730) 3.744 4.037 ( 4.866 -2.040 1.758) 5.561 4.082 ( -0.284 0.789 1.992) 2.162 4.391 ( -2.969 -1.545 4.234) 5.397 4.658 ( 3.280 1.860 5.354) 6.549 5.447 ( -8.317 -4.587 -4.219) 10.393 5.783 ( 2.017 0.378 -2.225) 3.027 5.832 ( 0.403 0.861 2.346) 2.532 10.821 ( 0.923 0.595 1.396) 1.776 10.864 ( 0.022 -0.137 -0.475) 0.495 10.881 ( 0.187 0.154 0.047) 0.247 11.050 ( -0.699 -0.046 -1.585) 1.733 11.106 ( 0.331 -0.289 -1.441) 1.506 11.191 ( -2.032 -1.044 -0.864) 2.442 11.614 ( -0.766 -0.036 -3.126) 3.219 11.725 ( -1.824 -1.606 5.398) 5.920 12.079 ( 6.721 4.444 4.592) 9.274 12.463 ( -2.951 -3.598 -1.008) 4.761 12.536 ( -4.645 -1.113 -2.390) 5.341 12.878 ( 5.389 3.077 -0.890) 6.269 15.505 ( -0.611 -0.089 0.247) 0.665 15.509 ( -0.661 -0.670 -0.074) 0.945 15.575 ( 1.309 0.729 0.352) 1.539 16.455 ( -1.267 -0.325 -1.438) 1.944 16.554 ( 1.041 -0.055 -1.370) 1.722 16.635 ( 0.144 0.375 1.315) 1.375 18.010 ( -9.665 -5.171 0.044) 10.961 18.475 ( 7.491 -1.686 -1.816) 7.890 18.580 ( 4.778 8.853 1.462) 10.166 18.927 ( -0.112 0.353 -0.668) 0.764 19.038 ( -2.633 -2.569 1.212) 3.873 19.128 ( -0.248 -0.021 0.841) 0.877 ======================= Grid point 195 (92/125) ======================= q-point: (-0.33 0.22 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -15.891 -5.506 -5.969) 17.846 0.675 ( -9.734 -12.980 -1.632) 16.307 1.329 ( 1.065 2.978 1.702) 3.591 1.485 ( 2.800 1.397 -0.866) 3.247 1.740 ( -5.625 -2.412 1.406) 6.280 1.965 ( -6.026 5.129 -5.315) 9.532 2.027 ( 3.751 1.431 -8.413) 9.322 2.191 ( 5.036 0.120 2.161) 5.482 2.301 ( 1.304 -3.550 0.190) 3.787 2.471 ( 7.172 3.248 0.703) 7.904 2.603 ( 1.294 -2.300 -1.133) 2.872 2.710 ( 1.144 -0.798 2.915) 3.231 2.796 ( -2.077 -2.538 5.053) 6.024 2.833 ( 2.229 3.358 -0.775) 4.105 3.001 ( -1.266 3.533 -1.768) 4.149 3.261 ( 1.738 1.812 -1.212) 2.788 3.384 ( 0.669 -0.567 -1.508) 1.745 3.450 ( -1.814 -1.293 -1.709) 2.808 3.507 ( -1.294 -0.467 -0.185) 1.388 3.643 ( -2.470 -0.245 -1.201) 2.758 3.695 ( 3.119 -0.893 -1.952) 3.787 3.783 ( 2.164 1.674 -1.658) 3.200 3.983 ( -0.662 1.532 -0.312) 1.698 4.092 ( 3.234 -0.209 1.008) 3.394 4.123 ( 0.870 1.278 1.868) 2.425 4.446 ( -3.568 -2.098 5.885) 7.195 4.752 ( -0.350 0.232 2.564) 2.598 5.313 ( -7.107 -3.978 -0.717) 8.176 5.747 ( 2.739 0.135 -3.662) 4.575 5.876 ( -0.874 0.588 2.089) 2.340 10.844 ( 0.498 1.105 -0.754) 1.427 10.855 ( 0.254 -0.663 -0.640) 0.956 10.890 ( 0.017 0.250 0.937) 0.970 11.034 ( 1.233 -0.952 -0.593) 1.667 11.077 ( -0.010 0.251 -0.070) 0.261 11.155 ( -0.788 0.684 -1.474) 1.806 11.576 ( -0.030 -0.491 -1.251) 1.344 11.795 ( -3.469 -1.037 5.293) 6.413 12.222 ( 4.761 2.865 3.969) 6.829 12.405 ( -0.529 -6.303 -1.037) 6.409 12.459 ( -5.804 2.075 -1.303) 6.300 12.926 ( 5.360 3.107 -0.446) 6.211 15.498 ( -0.181 -1.078 -0.052) 1.095 15.508 ( -0.727 0.039 0.699) 1.009 15.591 ( 0.988 1.139 -0.307) 1.539 16.447 ( 0.551 -0.414 1.194) 1.379 16.537 ( 1.034 -0.279 -1.314) 1.695 16.654 ( -0.382 1.448 0.522) 1.586 17.918 ( -8.032 -4.610 0.624) 9.281 18.483 ( 5.754 3.178 -3.551) 7.471 18.683 ( 5.640 3.889 1.547) 7.024 18.908 ( -0.862 0.145 -1.225) 1.505 19.020 ( -2.576 -3.199 0.758) 4.176 19.116 ( -1.805 -0.638 -1.347) 2.341 ======================= Grid point 196 (93/125) ======================= q-point: (-0.22 0.22 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -6.560 -6.174 7.352) 11.627 0.689 ( -4.853 -2.436 12.611) 13.731 1.369 ( -4.623 -0.683 3.435) 5.800 1.559 ( 10.371 4.776 1.642) 11.535 1.703 ( -3.762 -3.254 -1.086) 5.091 1.791 ( -4.089 1.819 -9.971) 10.929 1.961 ( 1.906 7.173 -3.876) 8.373 2.233 ( 5.320 0.968 -2.557) 5.981 2.309 ( 1.211 -3.338 1.249) 3.764 2.551 ( 7.571 -0.565 1.193) 7.685 2.571 ( 4.262 -4.146 -2.828) 6.585 2.719 ( -7.349 -0.230 2.318) 7.709 2.820 ( -3.043 -1.414 2.040) 3.927 2.903 ( 4.154 4.022 -0.204) 5.786 2.937 ( -3.628 2.286 -3.315) 5.420 3.270 ( 3.148 1.946 -1.376) 3.948 3.367 ( -1.235 0.787 -1.912) 2.408 3.395 ( -0.580 -2.252 -0.459) 2.370 3.487 ( -1.334 -0.615 -0.210) 1.484 3.587 ( -3.002 -0.749 -2.118) 3.749 3.711 ( 4.443 0.345 -0.498) 4.485 3.762 ( 1.601 0.827 -3.101) 3.586 3.987 ( 1.098 -0.080 0.535) 1.224 4.117 ( 0.796 1.745 -0.327) 1.946 4.168 ( 2.473 1.069 0.798) 2.810 4.502 ( -5.009 -2.196 5.324) 7.633 4.734 ( -5.029 -3.116 -0.557) 5.942 5.284 ( -3.790 -1.783 3.531) 5.478 5.712 ( 3.241 0.379 -3.058) 4.472 5.893 ( -1.487 0.118 0.818) 1.702 10.815 ( 0.259 0.880 -2.689) 2.841 10.840 ( -0.135 -0.926 -0.510) 1.066 10.904 ( 0.040 0.187 0.022) 0.192 11.035 ( 1.674 0.794 -0.148) 1.858 11.111 ( 1.854 1.831 -1.287) 2.906 11.145 ( 0.518 -0.783 2.465) 2.637 11.551 ( 0.001 -0.057 -1.586) 1.587 11.834 ( -5.959 -1.830 4.359) 7.606 12.283 ( 0.683 -1.202 -0.472) 1.460 12.392 ( 3.118 -5.458 1.629) 6.493 12.433 ( -4.160 5.368 1.763) 7.016 12.972 ( 4.606 2.695 -0.610) 5.372 15.494 ( -0.048 -0.730 0.127) 0.743 15.518 ( -0.489 -0.206 0.945) 1.083 15.595 ( 0.828 1.141 -0.562) 1.518 16.477 ( 1.041 -0.087 0.791) 1.310 16.528 ( 0.949 -0.536 -0.386) 1.156 16.664 ( 0.780 2.324 -0.568) 2.516 17.865 ( -5.477 -3.290 1.726) 6.618 18.479 ( 5.096 4.573 -4.061) 7.961 18.763 ( 4.881 1.314 1.493) 5.271 18.871 ( -1.546 -0.152 -1.914) 2.465 18.990 ( -2.855 -3.973 0.146) 4.895 19.059 ( -3.883 -0.836 -1.303) 4.180 ======================= Grid point 201 (94/125) ======================= q-point: ( 0.33 -0.67 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -0.253 -3.461 0.129) 3.472 1.134 ( 1.143 3.789 0.066) 3.958 1.559 ( -3.734 -21.864 -13.648) 26.043 1.806 ( -0.784 0.838 -1.785) 2.122 1.836 ( 5.827 2.282 0.764) 6.305 1.963 ( -0.701 -2.627 2.854) 3.942 2.015 ( 0.131 4.268 2.261) 4.832 2.059 ( -1.895 8.668 -2.779) 9.298 2.297 ( -0.841 -1.795 5.499) 5.846 2.377 ( 5.036 -1.972 -4.653) 7.135 2.400 ( -2.475 1.738 2.104) 3.684 2.489 ( -1.811 8.186 -5.380) 9.961 2.765 ( 0.225 -3.008 3.347) 4.505 2.929 ( 0.700 -2.776 1.143) 3.083 2.960 ( -0.578 1.334 -0.668) 1.600 3.277 ( 0.051 -1.918 -2.014) 2.781 3.430 ( -0.794 0.141 2.248) 2.388 3.446 ( 0.483 1.113 2.697) 2.957 3.526 ( 0.105 -0.338 -1.006) 1.066 3.674 ( 0.237 -0.886 2.391) 2.561 3.682 ( -0.184 0.500 2.938) 2.986 3.878 ( 4.327 -3.763 -1.548) 5.939 3.907 ( -4.364 -0.213 -1.423) 4.595 3.969 ( 0.090 5.555 1.134) 5.670 4.063 ( -0.022 0.665 -1.137) 1.318 4.390 ( 0.012 -3.788 2.961) 4.808 4.483 ( 0.026 6.311 4.467) 7.732 5.682 ( -0.309 -6.890 -3.835) 7.892 5.737 ( 0.824 0.108 5.127) 5.194 5.791 ( -0.493 4.522 -3.382) 5.668 10.799 ( -0.002 0.027 -0.371) 0.372 10.870 ( -0.030 -0.139 -0.020) 0.144 10.875 ( 0.013 0.423 -0.231) 0.482 11.092 ( 0.151 -1.265 -0.875) 1.546 11.111 ( 0.033 0.864 -0.128) 0.874 11.198 ( -0.180 -0.550 3.949) 3.991 11.688 ( 1.166 -6.719 2.438) 7.242 11.755 ( -2.250 0.619 -6.739) 7.132 11.837 ( 1.142 8.689 4.099) 9.675 12.552 ( -0.095 -6.041 -1.002) 6.124 12.635 ( 0.069 3.308 -0.473) 3.342 12.811 ( -0.015 0.907 -3.195) 3.321 15.508 ( 0.177 -0.672 0.152) 0.712 15.518 ( -0.075 0.424 0.542) 0.693 15.558 ( -0.112 0.088 -0.545) 0.563 16.518 ( 0.352 -2.059 -1.940) 2.851 16.554 ( -0.174 1.626 -1.291) 2.083 16.599 ( -0.176 0.451 1.840) 1.903 18.215 ( 1.135 -3.541 5.440) 6.589 18.342 ( -2.972 -4.958 -2.741) 6.398 18.466 ( 1.907 9.163 -2.179) 9.609 18.925 ( 0.024 0.865 -0.038) 0.866 19.070 ( -0.245 -2.166 1.752) 2.797 19.097 ( 0.157 0.691 1.766) 1.903 ======================= Grid point 203 (95/125) ======================= q-point: (-0.56 0.33 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -4.628 -4.391 -3.333) 7.198 1.165 ( -8.464 -3.480 -3.014) 9.635 1.177 ( 5.230 -14.234 -9.678) 17.990 1.649 ( -11.236 7.524 -7.732) 15.577 1.867 ( 10.104 6.066 -6.367) 13.395 1.983 ( 1.230 -0.123 -3.786) 3.982 2.051 ( 0.127 -4.627 6.755) 8.188 2.112 ( -4.015 2.978 0.853) 5.071 2.292 ( 4.304 -0.353 0.449) 4.341 2.363 ( -3.326 6.125 -4.472) 8.281 2.478 ( 5.754 2.218 3.746) 7.215 2.525 ( 2.011 1.653 5.380) 5.976 2.780 ( -1.919 -3.995 1.882) 4.815 2.922 ( -2.114 -2.455 -0.646) 3.303 2.972 ( 1.713 0.844 1.538) 2.452 3.249 ( 0.612 -1.754 -0.683) 1.979 3.441 ( -2.412 -0.322 0.050) 2.434 3.475 ( 1.759 -1.024 -1.065) 2.297 3.512 ( -0.552 1.317 0.370) 1.475 3.711 ( -0.705 -1.064 1.337) 1.849 3.715 ( 2.040 0.178 0.674) 2.156 3.761 ( -1.969 0.028 -5.985) 6.300 3.946 ( 3.754 -1.370 2.595) 4.765 4.003 ( -0.825 3.814 0.438) 3.926 4.086 ( -0.018 0.378 1.799) 1.838 4.430 ( -1.414 -4.596 4.761) 6.767 4.615 ( 1.578 6.187 6.002) 8.764 5.556 ( -4.206 -6.325 -4.328) 8.742 5.749 ( 1.602 3.084 -4.157) 5.418 5.824 ( 0.450 0.336 4.036) 4.075 10.810 ( 0.360 0.305 1.212) 1.301 10.866 ( -0.204 -0.118 -0.179) 0.296 10.877 ( 0.228 0.204 0.184) 0.357 11.059 ( -0.210 -1.216 -1.919) 2.282 11.101 ( 0.045 1.219 -1.635) 2.040 11.214 ( -0.716 -0.669 -1.465) 1.762 11.626 ( -0.394 -0.578 -3.661) 3.727 11.759 ( -1.992 -4.095 6.297) 7.771 11.985 ( 3.999 7.702 5.435) 10.240 12.490 ( -0.865 -7.711 -1.789) 7.963 12.621 ( -4.419 2.817 -1.040) 5.343 12.790 ( 4.459 2.404 -1.895) 5.409 15.507 ( -0.024 -1.167 0.084) 1.170 15.527 ( -1.081 0.472 0.465) 1.268 15.556 ( 1.010 0.424 0.024) 1.095 16.473 ( -0.661 -1.439 -1.797) 2.395 16.536 ( 0.649 1.654 -1.824) 2.546 16.634 ( 0.065 0.157 1.764) 1.772 18.184 ( -11.410 -4.440 -0.161) 12.245 18.333 ( 9.525 -4.369 -0.455) 10.489 18.517 ( 3.015 10.079 0.249) 10.523 18.926 ( 0.095 1.073 -0.520) 1.196 19.076 ( -1.747 -2.643 1.278) 3.416 19.127 ( 0.361 0.007 1.047) 1.108 ======================= Grid point 204 (96/125) ======================= q-point: (-0.44 0.33 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -8.178 -17.275 -4.671) 19.675 0.885 ( -13.720 -0.013 -4.452) 14.424 1.233 ( 6.827 5.450 0.149) 8.737 1.503 ( -4.812 4.862 -4.660) 8.277 1.840 ( 0.101 1.982 -3.546) 4.064 1.922 ( 6.491 2.107 -7.094) 9.844 2.066 ( -5.632 4.791 -2.211) 7.717 2.114 ( 4.476 -2.040 -2.202) 5.389 2.280 ( -0.983 -1.641 0.635) 2.016 2.378 ( 3.534 1.800 0.766) 4.040 2.575 ( 1.737 -1.786 -2.572) 3.581 2.609 ( 6.941 4.433 3.955) 9.137 2.817 ( -0.563 -5.054 5.303) 7.347 2.891 ( -5.183 -0.560 2.570) 5.812 3.015 ( 0.445 2.207 1.068) 2.492 3.238 ( 0.964 -1.058 -0.841) 1.660 3.392 ( -1.776 0.175 -2.055) 2.722 3.459 ( 0.809 -1.363 -1.749) 2.360 3.519 ( -0.291 0.427 -0.171) 0.544 3.659 ( -0.504 -1.499 -2.830) 3.242 3.700 ( -2.299 -0.012 -1.030) 2.519 3.743 ( 2.357 0.948 -0.966) 2.718 4.006 ( -1.597 1.532 -0.246) 2.226 4.020 ( 4.649 -0.250 1.961) 5.052 4.117 ( 0.252 0.737 1.413) 1.614 4.493 ( -2.005 -5.028 6.613) 8.546 4.747 ( 0.620 2.887 4.804) 5.639 5.426 ( -6.064 -3.814 -2.343) 7.537 5.702 ( 2.527 1.458 -4.376) 5.259 5.884 ( -0.074 0.432 2.430) 2.469 10.831 ( 0.758 -0.347 -0.132) 0.844 10.861 ( -0.607 0.205 -0.125) 0.653 10.889 ( 0.185 0.180 0.864) 0.901 11.022 ( 0.145 -0.459 -1.500) 1.576 11.076 ( 0.075 1.143 -1.159) 1.630 11.161 ( -0.030 0.449 -3.046) 3.079 11.585 ( -0.735 -0.937 -0.890) 1.487 11.844 ( -2.432 -2.752 6.989) 7.895 12.145 ( 4.206 5.784 5.100) 8.784 12.409 ( -0.324 -9.239 -2.238) 9.512 12.567 ( -6.764 3.448 -1.047) 7.664 12.828 ( 6.404 3.135 -0.842) 7.179 15.501 ( -0.255 -1.262 0.115) 1.293 15.524 ( -1.158 0.067 0.365) 1.216 15.573 ( 1.300 0.775 0.100) 1.517 16.447 ( -0.324 -0.518 0.046) 0.612 16.520 ( 0.927 1.162 -1.555) 2.151 16.656 ( 0.108 0.589 0.416) 0.729 18.067 ( -10.018 -4.084 -0.405) 10.826 18.369 ( 8.166 -0.688 -2.339) 8.522 18.603 ( 3.952 6.523 1.400) 7.754 18.917 ( -0.265 1.042 -1.137) 1.565 19.063 ( -2.418 -3.129 0.820) 4.038 19.133 ( -0.452 -0.793 -0.175) 0.930 ======================= Grid point 205 (97/125) ======================= q-point: (-0.33 0.33 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -13.737 -0.531 2.276) 13.934 0.805 ( -8.566 -0.648 7.611) 11.477 1.345 ( 7.055 7.202 2.295) 10.340 1.442 ( 2.006 -0.018 -2.175) 2.959 1.780 ( -2.480 -1.065 -2.825) 3.907 1.832 ( -0.544 0.342 -7.458) 7.486 1.970 ( -2.626 10.473 -6.717) 12.717 2.100 ( 10.388 0.917 -5.389) 11.738 2.299 ( -1.936 -1.560 1.571) 2.941 2.420 ( 6.614 -3.732 0.467) 7.608 2.519 ( 2.751 -2.583 -2.944) 4.786 2.752 ( 5.311 3.700 3.939) 7.578 2.834 ( -2.688 -3.207 1.933) 4.610 2.926 ( -5.034 0.897 3.613) 6.261 3.012 ( -4.076 0.896 -1.097) 4.315 3.224 ( 2.189 0.308 -1.645) 2.755 3.375 ( -0.227 1.078 -0.012) 1.101 3.408 ( -0.577 -2.144 -2.399) 3.269 3.504 ( -0.580 0.121 -0.931) 1.103 3.635 ( -2.238 -0.772 -1.285) 2.694 3.659 ( 1.106 -0.310 0.386) 1.212 3.732 ( 1.860 0.830 -2.748) 3.421 3.988 ( -0.782 -1.000 -0.483) 1.358 4.078 ( 3.579 0.913 0.582) 3.740 4.144 ( 0.708 1.055 0.518) 1.372 4.568 ( -3.071 -4.936 6.720) 8.885 4.795 ( -2.418 -2.970 1.478) 4.105 5.363 ( -5.411 0.435 1.442) 5.616 5.657 ( 3.344 0.481 -3.858) 5.128 5.911 ( -0.679 0.345 0.903) 1.182 10.808 ( 0.474 0.032 -2.491) 2.536 10.849 ( -0.863 -0.304 -0.344) 0.978 10.906 ( -0.187 0.226 0.718) 0.776 11.010 ( 1.245 0.490 -0.675) 1.498 11.078 ( 1.970 2.062 -2.033) 3.502 11.141 ( -0.024 -0.576 1.890) 1.976 11.557 ( -0.602 -0.754 -1.355) 1.663 11.922 ( -4.575 -2.048 6.201) 7.973 12.266 ( 1.723 3.128 1.967) 4.077 12.338 ( 2.546 -9.028 -0.283) 9.385 12.521 ( -6.110 4.692 -0.049) 7.704 12.883 ( 6.204 3.115 -0.667) 6.974 15.497 ( -0.378 -0.954 0.296) 1.068 15.526 ( -0.548 -0.280 0.691) 0.925 15.582 ( 0.807 0.721 -0.315) 1.127 16.461 ( 0.764 0.242 1.002) 1.283 16.511 ( 0.961 0.832 -0.732) 1.467 16.656 ( 0.435 1.096 -1.102) 1.614 17.977 ( -8.025 -3.418 0.612) 8.744 18.382 ( 6.746 2.280 -3.463) 7.918 18.685 ( 4.309 3.063 1.659) 5.541 18.892 ( -0.889 0.875 -1.737) 2.138 19.037 ( -2.820 -3.501 0.529) 4.527 19.106 ( -2.003 -1.398 -0.971) 2.629 ======================= Grid point 206 (98/125) ======================= q-point: (-0.22 0.33 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -5.636 1.017 10.711) 12.145 0.961 ( -4.559 4.832 12.938) 14.544 1.371 ( 0.844 -2.276 -2.687) 3.621 1.561 ( 7.783 7.300 3.472) 11.222 1.626 ( -1.155 0.835 -7.380) 7.516 1.743 ( -4.516 -2.435 -1.036) 5.234 1.923 ( 3.090 10.358 -4.598) 11.747 2.097 ( 11.159 3.305 -6.545) 13.352 2.276 ( 0.125 -1.418 -1.945) 2.410 2.447 ( 6.006 -1.626 -2.032) 6.545 2.539 ( 4.262 -6.371 4.213) 8.747 2.828 ( -5.731 2.198 1.181) 6.251 2.836 ( 0.425 -2.189 0.915) 2.410 2.912 ( -5.366 3.151 -1.690) 6.448 2.953 ( -3.005 -0.343 0.826) 3.135 3.221 ( 2.977 1.346 -1.893) 3.776 3.333 ( -0.689 -0.427 -2.500) 2.628 3.415 ( -0.247 -0.575 2.406) 2.486 3.489 ( -0.464 -0.033 -0.074) 0.471 3.564 ( -2.429 -0.976 -2.717) 3.773 3.687 ( 1.676 0.215 -4.059) 4.397 3.715 ( -0.456 -0.524 3.156) 3.231 3.979 ( 1.593 -2.527 0.337) 3.007 4.110 ( 1.832 1.868 -0.017) 2.617 4.147 ( 1.619 1.463 -1.936) 2.917 4.611 ( -4.914 -4.885 4.172) 8.088 4.750 ( -4.930 -5.775 0.058) 7.593 5.374 ( -3.812 1.946 2.853) 5.144 5.637 ( 4.307 0.718 -2.140) 4.863 5.912 ( -1.150 0.077 0.064) 1.154 10.774 ( 0.575 0.965 -1.773) 2.099 10.839 ( -0.666 -1.025 0.364) 1.276 10.910 ( -1.045 0.317 0.375) 1.155 11.013 ( 2.121 0.660 -1.405) 2.628 11.052 ( 2.182 1.820 -3.178) 4.263 11.195 ( -0.089 -1.575 3.348) 3.701 11.525 ( -0.010 0.390 -1.603) 1.650 11.953 ( -7.169 -3.300 4.165) 8.924 12.248 ( 0.527 -2.482 -1.638) 3.020 12.382 ( 3.483 -2.416 2.191) 4.771 12.521 ( -3.099 5.006 1.935) 6.197 12.930 ( 5.205 2.738 -1.038) 5.972 15.496 ( -0.384 -0.605 0.360) 0.802 15.534 ( -0.154 -0.524 0.715) 0.900 15.585 ( 0.575 0.703 -0.403) 0.993 16.480 ( 0.616 0.547 0.370) 0.903 16.520 ( 0.903 0.657 0.282) 1.152 16.639 ( 1.103 1.064 -2.046) 2.556 17.926 ( -5.644 -2.676 1.641) 6.459 18.384 ( 5.695 3.289 -3.572) 7.484 18.763 ( 4.359 1.209 2.166) 5.015 18.850 ( -1.820 0.705 -2.266) 2.991 19.003 ( -3.360 -3.419 0.385) 4.809 19.065 ( -2.593 -1.449 -0.603) 3.031 ======================= Grid point 211 (99/125) ======================= q-point: ( 0.33 -0.56 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 6.929 -8.795 -5.551) 12.497 1.108 ( 0.598 -4.493 -1.575) 4.798 1.321 ( -5.598 -7.100 -8.311) 12.281 1.577 ( 16.172 6.837 -9.299) 19.868 1.822 ( -5.224 -1.499 -3.442) 6.433 2.030 ( -5.231 6.483 -5.944) 10.234 2.050 ( 0.675 -3.958 3.699) 5.459 2.125 ( 2.742 2.923 1.777) 4.384 2.256 ( -0.744 -2.305 2.318) 3.353 2.376 ( 1.294 4.428 -1.563) 4.871 2.490 ( -6.158 4.506 2.159) 7.930 2.540 ( -3.521 4.045 4.661) 7.105 2.784 ( 1.756 -3.430 2.000) 4.342 2.920 ( 2.641 -4.007 0.735) 4.855 2.958 ( -1.106 0.054 -0.071) 1.110 3.248 ( -0.484 -1.785 -0.671) 1.968 3.443 ( 1.738 0.044 -1.230) 2.130 3.482 ( -1.853 -0.944 0.461) 2.130 3.508 ( 0.833 1.608 0.050) 1.812 3.688 ( 0.783 -2.286 0.714) 2.520 3.729 ( -1.415 0.174 0.456) 1.496 3.767 ( 1.647 0.678 -4.394) 4.741 3.931 ( -2.158 -1.835 1.244) 3.094 4.021 ( -1.189 4.886 1.106) 5.149 4.083 ( 0.283 -0.077 1.763) 1.787 4.429 ( 1.479 -4.697 4.845) 6.908 4.615 ( -1.592 6.207 5.923) 8.726 5.554 ( 4.290 -6.474 -4.422) 8.936 5.754 ( -1.926 3.693 -3.930) 5.726 5.821 ( -0.187 -0.159 3.942) 3.950 10.810 ( -0.341 0.277 1.189) 1.267 10.867 ( 0.159 -0.038 -0.185) 0.247 10.877 ( -0.219 0.182 0.180) 0.337 11.057 ( 0.359 -1.366 -1.726) 2.230 11.104 ( -0.231 1.428 -1.503) 2.086 11.213 ( 0.757 -0.735 -1.791) 2.079 11.624 ( 0.559 -0.864 -3.129) 3.294 11.763 ( 1.763 -3.720 5.540) 6.902 11.982 ( -3.800 7.380 5.695) 10.067 12.496 ( 0.261 -7.367 -1.534) 7.530 12.615 ( 4.892 2.589 -1.346) 5.696 12.791 ( -4.441 2.485 -1.847) 5.414 15.507 ( 0.016 -1.193 0.354) 1.244 15.527 ( 1.056 0.473 0.403) 1.225 15.556 ( -0.996 0.480 -0.196) 1.123 16.470 ( 0.830 -1.668 -1.524) 2.407 16.540 ( -0.912 2.040 -1.890) 2.926 16.633 ( 0.046 -0.028 1.552) 1.553 18.171 ( 10.101 -5.339 0.115) 11.426 18.374 ( -11.191 -3.372 -1.936) 11.847 18.488 ( 0.118 9.737 1.473) 9.848 18.925 ( 0.011 0.870 -0.514) 1.011 19.080 ( 1.442 -2.061 1.245) 2.806 19.125 ( -0.326 -0.118 1.076) 1.130 ======================= Grid point 212 (100/125) ======================= q-point: ( 0.44 -0.56 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 2.620 -14.270 -3.614) 14.952 1.037 ( -4.396 -3.482 -2.527) 6.151 1.194 ( -3.334 3.693 -0.963) 5.068 1.610 ( 18.010 9.789 -8.092) 22.038 1.644 ( -10.729 4.616 -7.655) 13.965 1.931 ( -1.312 0.605 -4.653) 4.872 2.042 ( 4.314 -3.640 -6.357) 8.501 2.134 ( -2.660 2.466 0.535) 3.667 2.334 ( 0.046 3.094 -2.678) 4.092 2.358 ( -3.585 0.641 6.561) 7.505 2.537 ( 0.078 5.896 3.234) 6.725 2.569 ( -0.910 -0.317 -2.498) 2.677 2.820 ( 0.000 -5.662 4.962) 7.529 2.956 ( -1.799 -2.013 3.443) 4.375 2.974 ( 3.673 0.339 1.466) 3.969 3.230 ( 0.071 -2.453 -0.182) 2.461 3.413 ( 1.082 -0.956 -2.565) 2.944 3.457 ( -2.280 -0.087 -0.918) 2.459 3.516 ( 0.723 1.027 -0.965) 1.584 3.670 ( -0.672 -2.016 -2.771) 3.492 3.702 ( 1.815 -0.334 -0.444) 1.898 3.743 ( -1.458 1.631 -1.109) 2.453 3.955 ( 2.051 -1.541 1.741) 3.101 4.038 ( -1.930 3.049 0.270) 3.618 4.112 ( 0.325 0.202 1.315) 1.370 4.510 ( -0.066 -6.689 6.942) 9.640 4.739 ( 0.194 4.545 5.207) 6.914 5.480 ( 0.299 -5.094 -2.610) 5.732 5.682 ( -0.735 3.512 -4.757) 5.959 5.881 ( 0.366 0.014 2.623) 2.648 10.823 ( 0.094 -0.558 -0.015) 0.566 10.869 ( -0.177 0.051 0.251) 0.311 10.884 ( 0.196 0.232 0.694) 0.758 11.027 ( -0.585 -0.143 -1.071) 1.229 11.075 ( 0.130 1.993 -2.404) 3.125 11.158 ( 0.315 -0.146 -3.336) 3.354 11.593 ( -0.076 -1.051 -0.877) 1.371 11.864 ( 0.315 -4.579 7.313) 8.634 12.106 ( -0.020 7.665 5.664) 9.531 12.418 ( -0.815 -9.491 -2.243) 9.786 12.642 ( 0.984 3.212 -0.899) 3.478 12.752 ( -0.344 3.332 -1.313) 3.598 15.507 ( -0.396 -1.218 0.476) 1.366 15.544 ( -0.949 0.073 0.182) 0.969 15.548 ( 1.342 0.541 -0.004) 1.448 16.452 ( -0.181 -0.638 -0.153) 0.681 16.513 ( -0.194 2.112 -1.734) 2.739 16.651 ( 0.402 -0.021 0.269) 0.484 18.218 ( 6.078 -2.196 -1.365) 6.606 18.239 ( -6.647 -4.209 -1.700) 8.050 18.563 ( 0.708 7.847 1.827) 8.088 18.918 ( 0.125 1.143 -1.066) 1.568 19.089 ( -0.481 -2.985 0.751) 3.115 19.134 ( 0.173 -0.724 0.198) 0.770 ======================= Grid point 214 (101/125) ======================= q-point: (-0.44 0.44 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -6.724 -0.220 5.538) 8.714 0.950 ( -8.267 -0.231 1.679) 8.439 1.234 ( 4.295 5.501 2.233) 7.327 1.474 ( -5.526 1.980 -5.668) 8.160 1.667 ( 14.653 9.959 -6.581) 18.899 1.847 ( -0.116 -0.497 -4.328) 4.358 1.921 ( 4.714 -3.315 -9.842) 11.405 2.074 ( -4.209 8.964 -5.980) 11.568 2.333 ( 3.296 -2.695 -1.136) 4.407 2.394 ( -8.059 -1.546 5.084) 9.653 2.487 ( 0.994 -1.250 -3.713) 4.042 2.668 ( 4.231 5.839 4.853) 8.692 2.854 ( -0.102 -4.722 1.790) 5.051 2.998 ( -1.687 0.566 1.887) 2.594 3.036 ( 0.185 -1.015 3.419) 3.571 3.208 ( 0.048 -3.059 -1.187) 3.281 3.380 ( 0.257 0.478 -1.639) 1.727 3.418 ( -1.560 -0.773 -1.094) 2.056 3.502 ( 0.838 0.623 -1.531) 1.854 3.639 ( 0.344 -1.343 0.734) 1.568 3.680 ( -1.288 0.083 -2.517) 2.829 3.717 ( -0.463 0.929 -1.117) 1.525 3.984 ( 2.119 -2.394 -0.212) 3.204 4.040 ( -0.125 1.939 0.250) 1.959 4.136 ( 0.369 0.692 0.638) 1.011 4.603 ( -1.153 -6.925 7.743) 10.451 4.815 ( -0.266 -2.091 2.528) 3.291 5.438 ( -2.852 0.377 0.483) 2.917 5.614 ( 1.290 1.714 -4.671) 5.140 5.915 ( 0.173 0.213 0.998) 1.035 10.801 ( 0.323 -0.300 -2.168) 2.213 10.864 ( -0.879 -0.334 -0.128) 0.949 10.904 ( 0.435 0.373 0.928) 1.091 11.002 ( -0.552 0.798 -1.330) 1.646 11.049 ( 1.601 2.211 -2.930) 4.005 11.144 ( -0.225 -0.636 2.232) 2.331 11.566 ( -0.312 -1.306 -1.515) 2.024 11.972 ( -1.207 -2.958 7.297) 7.966 12.233 ( 1.401 5.858 4.358) 7.434 12.324 ( -0.552 -10.404 -2.426) 10.697 12.619 ( -4.891 3.584 -1.013) 6.148 12.780 ( 5.542 3.972 -0.572) 6.842 15.507 ( -0.806 -0.945 0.641) 1.397 15.536 ( -0.737 -0.467 0.254) 0.909 15.565 ( 1.406 0.498 -0.057) 1.492 16.456 ( -0.181 0.547 0.723) 0.925 16.499 ( 0.417 1.699 -0.920) 1.977 16.647 ( 0.623 0.355 -1.298) 1.483 18.117 ( -8.835 -3.145 -0.953) 9.426 18.260 ( 8.217 -0.273 -1.941) 8.447 18.633 ( 1.730 5.134 1.703) 5.679 18.900 ( -0.123 1.201 -1.643) 2.039 19.075 ( -1.609 -3.460 0.476) 3.846 19.126 ( -0.390 -1.584 -0.482) 1.701 ======================= Grid point 215 (102/125) ======================= q-point: (-0.33 0.44 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -11.131 3.543 4.138) 12.392 1.054 ( -6.500 6.696 11.863) 15.094 1.361 ( 0.276 0.700 -2.063) 2.197 1.405 ( 8.426 4.161 4.933) 10.614 1.669 ( -0.670 2.695 -6.611) 7.170 1.743 ( 6.983 -0.865 -8.018) 10.667 1.821 ( 7.147 6.365 -6.685) 11.674 1.981 ( 0.407 8.156 -6.980) 10.743 2.314 ( -1.766 -1.292 -0.545) 2.255 2.379 ( -0.037 -1.107 -1.241) 1.664 2.493 ( 1.041 -4.821 4.376) 6.594 2.800 ( 3.219 3.246 3.811) 5.952 2.857 ( 0.369 -0.667 0.307) 0.822 2.973 ( -2.548 3.194 -3.421) 5.329 3.051 ( -5.134 -6.076 2.004) 8.203 3.183 ( 1.367 -0.009 -1.025) 1.709 3.337 ( 0.168 0.009 -3.019) 3.023 3.420 ( -0.699 -0.120 2.269) 2.377 3.490 ( 0.479 0.375 -0.534) 0.809 3.602 ( -1.956 -0.816 -3.508) 4.099 3.656 ( 1.887 -0.402 -2.435) 3.107 3.736 ( -2.163 0.383 5.338) 5.773 3.963 ( 0.747 -4.060 -0.936) 4.233 4.066 ( 2.585 1.322 0.414) 2.933 4.137 ( 0.193 1.649 -1.530) 2.258 4.677 ( -3.112 -6.479 5.873) 9.282 4.806 ( -1.856 -7.231 0.563) 7.486 5.443 ( -4.333 3.854 1.547) 6.002 5.570 ( 3.751 0.819 -2.943) 4.838 5.923 ( -0.205 0.170 -0.077) 0.277 10.767 ( 0.363 1.033 -1.981) 2.264 10.854 ( -1.165 -0.876 0.412) 1.515 10.922 ( -0.166 0.519 0.750) 0.927 10.983 ( 1.270 0.291 -1.842) 2.257 11.021 ( 1.552 1.742 -2.529) 3.441 11.199 ( -0.439 -1.442 3.986) 4.262 11.527 ( -0.076 -0.440 -2.044) 2.092 12.054 ( -4.611 -2.651 5.521) 7.666 12.238 ( 0.853 -6.944 -1.979) 7.271 12.330 ( 2.095 1.523 2.791) 3.808 12.584 ( -4.080 4.316 -0.517) 5.961 12.838 ( 5.661 4.006 -0.471) 6.951 15.507 ( -0.910 -0.697 0.630) 1.308 15.536 ( -0.227 -0.727 0.441) 0.880 15.574 ( 0.876 0.460 -0.160) 1.002 16.472 ( 0.265 1.046 0.481) 1.181 16.505 ( 0.807 1.626 0.063) 1.817 16.624 ( 0.785 0.442 -2.048) 2.238 18.030 ( -6.750 -3.272 0.062) 7.501 18.287 ( 6.167 2.172 -2.132) 6.877 18.702 ( 2.792 2.937 1.972) 4.506 18.870 ( -0.672 1.140 -2.021) 2.416 19.050 ( -2.246 -3.604 0.452) 4.271 19.098 ( -1.388 -2.130 -0.719) 2.642 ======================= Grid point 216 (103/125) ======================= q-point: (-0.22 0.44 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -2.564 -0.960 6.183) 6.762 1.226 ( -4.661 6.683 9.020) 12.155 1.301 ( -0.438 -4.951 -1.514) 5.196 1.501 ( -3.870 -1.261 -7.209) 8.279 1.642 ( 8.786 8.231 4.863) 12.984 1.707 ( 5.145 3.023 -3.465) 6.901 1.818 ( 8.658 11.175 -6.797) 15.685 1.944 ( 5.288 7.226 -1.892) 9.152 2.262 ( -3.996 -4.717 -0.272) 6.188 2.394 ( 3.581 3.646 -0.191) 5.114 2.572 ( 2.153 -6.049 5.826) 8.670 2.834 ( -1.900 1.000 -0.773) 2.282 2.875 ( -4.311 2.860 -1.958) 5.532 2.922 ( 2.908 0.642 -0.022) 2.978 2.980 ( -4.910 -6.143 -0.865) 7.911 3.186 ( 1.442 1.305 -0.349) 1.976 3.302 ( 0.206 0.485 -1.232) 1.340 3.466 ( -0.436 0.367 2.890) 2.945 3.491 ( -0.318 -0.239 -0.795) 0.889 3.537 ( -1.160 -1.442 -0.018) 1.851 3.606 ( 0.910 -0.374 -3.768) 3.894 3.801 ( -4.013 -0.996 3.658) 5.520 3.947 ( 2.393 -5.416 0.407) 5.935 4.100 ( -0.250 3.777 -3.879) 5.419 4.110 ( 2.587 1.625 1.341) 3.336 4.668 ( -5.398 -8.530 0.798) 10.126 4.765 ( -3.491 -5.008 0.798) 6.157 5.444 ( -2.225 1.421 0.640) 2.717 5.586 ( 3.830 2.490 -0.193) 4.572 5.916 ( -0.431 -0.096 -0.267) 0.516 10.754 ( 0.764 1.388 -0.629) 1.705 10.854 ( -0.982 -1.074 1.166) 1.865 10.933 ( -0.529 1.140 0.112) 1.261 10.958 ( 1.344 -0.314 -1.779) 2.252 11.008 ( 1.354 1.230 -1.244) 2.212 11.237 ( -1.183 -2.389 1.829) 3.233 11.502 ( 0.678 1.149 -0.996) 1.665 12.039 ( -6.245 -6.666 1.021) 9.191 12.218 ( 0.185 -0.475 0.273) 0.578 12.379 ( 2.314 -0.424 0.861) 2.505 12.584 ( -0.727 3.759 0.601) 3.876 12.888 ( 4.216 3.789 -0.675) 5.709 15.507 ( -0.858 -0.536 0.541) 1.147 15.538 ( 0.114 -0.831 0.229) 0.869 15.577 ( 0.429 0.617 -0.418) 0.860 16.489 ( 0.460 1.160 0.624) 1.395 16.524 ( 0.999 1.606 0.230) 1.905 16.598 ( 0.673 0.104 -1.604) 1.743 17.978 ( -4.197 -3.445 0.950) 5.512 18.308 ( 4.208 3.630 -1.850) 5.858 18.776 ( 3.719 1.844 2.130) 4.665 18.830 ( -1.701 0.745 -2.019) 2.743 19.021 ( -2.851 -3.362 0.503) 4.436 19.064 ( -1.555 -2.195 -0.440) 2.725 ======================= Grid point 221 (104/125) ======================= q-point: ( 0.33 -0.44 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 8.303 -12.514 -2.567) 15.236 0.984 ( 14.489 -0.876 -5.259) 15.438 1.253 ( -3.308 6.494 -3.249) 7.980 1.438 ( -0.673 1.806 -2.030) 2.799 1.788 ( -3.241 -3.028 -2.904) 5.301 1.950 ( -1.256 2.035 -7.280) 7.662 1.982 ( 1.087 -3.371 -6.512) 7.413 2.163 ( -1.297 2.876 1.279) 3.405 2.328 ( 0.503 4.516 -1.735) 4.864 2.392 ( -2.226 3.102 5.303) 6.535 2.584 ( -2.714 0.759 -0.221) 2.827 2.635 ( -7.457 7.336 -0.221) 10.463 2.816 ( 0.853 -5.002 5.194) 7.261 2.878 ( 5.817 -3.920 1.200) 7.116 2.983 ( -0.463 -1.064 2.030) 2.339 3.235 ( -0.776 -1.221 -0.863) 1.685 3.390 ( 0.883 0.189 -2.302) 2.473 3.480 ( 1.050 -0.245 -1.035) 1.494 3.509 ( -0.561 0.086 -0.857) 1.028 3.667 ( 1.823 -1.614 -0.430) 2.473 3.687 ( -0.834 0.126 -2.990) 3.107 3.755 ( -0.666 2.079 -0.891) 2.358 3.958 ( -1.671 -2.202 1.042) 2.954 4.067 ( -1.615 3.495 0.398) 3.870 4.109 ( -0.173 -0.250 1.608) 1.637 4.494 ( 2.032 -4.993 6.738) 8.629 4.743 ( -0.622 2.488 4.551) 5.224 5.423 ( 5.865 -4.049 -2.386) 7.516 5.715 ( -2.402 2.904 -4.303) 5.720 5.876 ( 0.130 -0.563 2.517) 2.583 10.828 ( -0.676 -0.552 -0.261) 0.911 10.864 ( 0.589 0.441 0.002) 0.736 10.886 ( -0.252 -0.123 0.694) 0.748 11.035 ( -0.219 0.909 -0.260) 0.970 11.074 ( -0.080 1.128 -2.478) 2.724 11.154 ( 0.121 -0.586 -2.686) 2.752 11.587 ( 0.671 -0.610 -0.933) 1.301 11.838 ( 2.469 -3.601 6.519) 7.846 12.145 ( -4.151 5.715 5.412) 8.898 12.432 ( -0.643 -8.433 -1.521) 8.593 12.547 ( 7.525 3.103 -1.717) 8.319 12.830 ( -6.238 3.185 -0.805) 7.050 15.511 ( -0.046 -0.942 0.704) 1.177 15.520 ( 1.615 0.493 0.063) 1.690 15.566 ( -1.442 0.006 -0.205) 1.456 16.451 ( 0.246 0.097 0.443) 0.516 16.524 ( -1.032 1.784 -1.817) 2.748 16.646 ( 0.073 -0.708 0.274) 0.763 18.063 ( 9.581 -4.195 -0.183) 10.460 18.382 ( -7.436 -0.489 -3.844) 8.385 18.590 ( -4.195 6.103 2.779) 7.910 18.914 ( 0.342 0.502 -1.087) 1.245 19.073 ( 2.320 -1.827 0.821) 3.065 19.131 ( 0.412 -1.100 -0.294) 1.211 ======================= Grid point 222 (105/125) ======================= q-point: ( 0.44 -0.44 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 5.751 1.353 7.452) 9.510 1.007 ( 4.540 -1.163 -0.339) 4.699 1.230 ( -2.381 5.355 0.626) 5.894 1.436 ( 5.459 6.252 -3.369) 8.958 1.632 ( -10.147 2.578 -6.053) 12.093 1.831 ( 1.410 -0.492 -7.411) 7.560 1.868 ( 2.837 -3.575 -6.869) 8.247 2.134 ( -3.130 9.075 -6.394) 11.534 2.302 ( 0.467 -1.617 -0.013) 1.683 2.482 ( -1.698 -0.319 -3.186) 3.624 2.533 ( -4.580 1.766 4.209) 6.466 2.640 ( -3.028 7.020 3.354) 8.348 2.846 ( 1.022 -5.979 0.922) 6.135 2.945 ( 5.522 -2.064 1.606) 6.110 3.048 ( 0.725 -2.136 4.734) 5.244 3.206 ( -0.024 -2.212 -1.393) 2.614 3.367 ( 0.755 -0.015 -1.754) 1.909 3.457 ( -1.721 -0.055 -1.039) 2.011 3.480 ( 1.098 0.485 -1.817) 2.178 3.633 ( 0.353 -1.802 -1.393) 2.305 3.688 ( 0.123 0.177 0.640) 0.675 3.730 ( -0.526 2.491 -1.848) 3.146 3.960 ( -0.105 -2.304 0.924) 2.484 4.057 ( -1.403 1.254 -1.116) 2.188 4.133 ( -0.137 0.602 0.951) 1.134 4.604 ( 1.032 -7.141 7.767) 10.601 4.810 ( 0.792 -2.128 2.538) 3.405 5.431 ( 3.345 0.077 0.158) 3.349 5.630 ( -2.675 2.535 -4.490) 5.809 5.909 ( 0.484 -0.187 1.102) 1.218 10.799 ( -0.016 -0.443 -2.152) 2.197 10.871 ( 0.383 -0.048 0.093) 0.397 10.898 ( 0.014 0.087 0.742) 0.747 11.025 ( -0.720 1.959 -1.673) 2.675 11.029 ( -0.454 1.046 -2.942) 3.155 11.148 ( -0.192 -0.313 2.642) 2.667 11.566 ( 0.338 -1.298 -1.681) 2.150 11.957 ( 2.631 -3.847 6.847) 8.283 12.238 ( -1.762 6.044 4.563) 7.775 12.346 ( -2.069 -9.955 -1.875) 10.340 12.599 ( 6.673 3.643 -1.329) 7.718 12.784 ( -5.458 3.955 -0.511) 6.760 15.520 ( -0.629 -0.685 1.011) 1.374 15.538 ( 1.747 0.407 0.071) 1.795 15.550 ( -0.981 -0.638 -0.223) 1.192 16.465 ( -0.679 1.035 0.833) 1.492 16.499 ( -0.507 1.866 -1.169) 2.260 16.638 ( 0.399 -0.341 -1.167) 1.280 18.117 ( 8.822 -2.643 -0.672) 9.234 18.257 ( -7.866 -1.294 -2.425) 8.332 18.635 ( -1.974 5.730 2.003) 6.383 18.897 ( 0.442 0.834 -1.606) 1.863 19.085 ( 0.547 -2.910 0.456) 2.996 19.121 ( 0.923 -1.776 -0.608) 2.092 ======================= Grid point 223 (106/125) ======================= q-point: (-0.44 0.56 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -3.158 2.980 1.969) 4.767 1.139 ( -0.836 10.204 13.532) 16.969 1.289 ( 1.538 3.322 4.301) 5.648 1.400 ( -0.868 1.502 -6.514) 6.741 1.527 ( 5.306 5.632 -5.011) 9.218 1.710 ( 1.240 -1.337 -7.446) 7.666 1.762 ( 1.690 -0.049 -5.276) 5.540 2.010 ( -3.014 9.771 -8.931) 13.576 2.307 ( 0.215 1.314 0.241) 1.353 2.400 ( 0.281 -3.569 -3.039) 4.696 2.558 ( -8.579 -0.398 4.794) 9.835 2.749 ( 2.679 5.353 3.964) 7.180 2.837 ( 2.096 -3.410 -0.296) 4.014 2.974 ( 2.022 1.297 -2.184) 3.247 3.095 ( 0.164 -7.174 2.085) 7.473 3.174 ( -0.213 -0.254 -0.721) 0.794 3.329 ( 0.640 0.088 -2.946) 3.016 3.442 ( -1.767 0.260 1.425) 2.285 3.475 ( 1.268 0.488 -0.442) 1.429 3.608 ( 1.221 -1.094 -2.264) 2.795 3.648 ( -1.118 -0.341 -3.096) 3.310 3.774 ( -1.710 1.822 5.661) 6.188 3.953 ( -0.021 -4.028 -0.389) 4.047 4.038 ( 0.965 0.285 -0.631) 1.188 4.137 ( -0.215 1.575 -1.035) 1.897 4.705 ( 0.059 -7.448 6.966) 10.198 4.817 ( 0.128 -7.450 0.564) 7.472 5.480 ( 1.937 4.052 1.569) 4.758 5.543 ( -2.351 1.487 -4.069) 4.929 5.921 ( 0.347 0.025 -0.005) 0.348 10.762 ( 0.155 0.962 -1.981) 2.208 10.873 ( -0.900 -0.536 0.667) 1.242 10.911 ( 1.087 0.183 0.162) 1.114 10.980 ( -0.668 0.372 -2.116) 2.250 11.002 ( 0.596 1.577 -1.755) 2.434 11.208 ( -0.579 -1.081 4.171) 4.348 11.526 ( 0.204 -0.895 -2.269) 2.448 12.077 ( 2.105 -2.478 6.229) 7.026 12.243 ( -2.379 -10.034 -2.363) 10.580 12.322 ( -0.644 4.614 3.185) 5.643 12.620 ( 1.421 2.909 -2.253) 3.944 12.780 ( -0.353 5.473 0.533) 5.510 15.524 ( -1.139 -0.754 0.521) 1.462 15.541 ( -0.239 -0.751 0.387) 0.878 15.555 ( 1.348 0.352 0.106) 1.398 16.476 ( -0.743 1.445 0.436) 1.682 16.496 ( 0.309 1.972 -0.244) 2.011 16.613 ( 0.489 0.016 -1.797) 1.862 18.116 ( -0.498 -4.678 -2.552) 5.352 18.205 ( 0.814 2.409 0.612) 2.615 18.681 ( -0.424 4.344 1.816) 4.728 18.873 ( 0.264 0.962 -1.934) 2.176 19.074 ( -0.633 -3.670 0.284) 3.735 19.107 ( 0.418 -2.284 -0.628) 2.405 ======================= Grid point 225 (107/125) ======================= q-point: (-0.33 0.56 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -6.011 1.681 -0.456) 6.259 1.292 ( -0.305 -1.391 -1.835) 2.323 1.323 ( -4.973 2.399 4.630) 7.206 1.475 ( 7.843 -0.604 -5.885) 9.824 1.514 ( 7.174 10.305 7.141) 14.445 1.626 ( -1.527 7.735 -2.765) 8.355 1.733 ( 4.087 4.808 -2.433) 6.763 1.904 ( 0.046 8.235 -5.100) 9.686 2.324 ( -1.820 -6.085 -0.017) 6.352 2.348 ( 1.508 6.356 -0.685) 6.569 2.585 ( -4.582 -3.199 5.697) 7.980 2.825 ( 6.136 1.185 -1.629) 6.459 2.857 ( -0.150 -0.567 2.492) 2.561 2.925 ( -1.348 4.584 -4.141) 6.323 3.054 ( -2.515 -10.257 -0.829) 10.594 3.176 ( 0.050 1.252 0.189) 1.268 3.294 ( 0.585 0.983 -1.537) 1.916 3.471 ( -0.533 0.390 1.905) 2.016 3.489 ( 0.629 0.172 0.472) 0.805 3.562 ( -1.312 -1.293 -0.794) 2.006 3.592 ( 0.686 -0.663 -3.056) 3.201 3.852 ( -1.679 -1.069 2.046) 2.855 3.928 ( -0.880 -4.427 2.256) 5.045 4.064 ( 3.124 0.911 1.305) 3.506 4.109 ( -0.723 3.092 -2.852) 4.268 4.747 ( -4.121 -8.400 1.600) 9.493 4.786 ( 0.981 -7.791 1.812) 8.059 5.470 ( -0.682 0.146 -3.193) 3.269 5.544 ( 1.030 5.228 1.724) 5.601 5.918 ( 0.077 -0.136 -0.363) 0.395 10.745 ( 0.315 1.596 -0.884) 1.851 10.875 ( -1.478 -0.706 0.944) 1.890 10.915 ( 1.696 -0.015 -1.363) 2.176 10.958 ( -0.306 0.206 0.199) 0.418 10.992 ( 0.562 1.473 -0.782) 1.760 11.253 ( -0.742 -2.391 2.262) 3.374 11.494 ( 0.337 0.517 -1.234) 1.380 12.127 ( -4.615 -7.971 -1.520) 9.335 12.186 ( 3.598 -2.583 3.673) 5.754 12.373 ( -1.162 2.520 1.372) 3.096 12.590 ( 0.226 2.845 -2.690) 3.922 12.832 ( 2.051 5.829 0.956) 6.253 15.518 ( -0.359 -0.993 0.110) 1.062 15.544 ( -0.816 -0.483 0.574) 1.108 15.566 ( 0.926 0.414 -0.146) 1.025 16.484 ( 0.034 1.413 0.208) 1.428 16.509 ( 0.656 2.171 -0.019) 2.268 16.591 ( 0.274 0.058 -0.907) 0.949 18.038 ( -2.527 -4.946 -1.576) 5.774 18.252 ( 2.363 4.073 0.794) 4.775 18.733 ( 1.169 3.313 1.750) 3.925 18.845 ( -0.212 0.770 -1.773) 1.945 19.054 ( -1.087 -3.995 0.368) 4.156 19.083 ( -0.660 -2.610 -0.565) 2.751 ======================= Grid point 226 (108/125) ======================= q-point: (-0.22 -0.44 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 1.588 -3.580 -4.438) 5.919 1.246 ( 7.395 -2.046 -7.770) 10.920 1.367 ( -2.311 1.666 1.830) 3.386 1.412 ( -1.034 -5.435 3.607) 6.604 1.612 ( 1.388 10.592 -5.007) 11.798 1.692 ( 1.663 8.906 1.930) 9.263 1.757 ( 1.335 6.358 -1.035) 6.579 2.015 ( 6.646 11.105 8.641) 15.562 2.265 ( -3.040 -4.506 -0.069) 5.436 2.420 ( 1.366 6.824 2.456) 7.381 2.644 ( -1.398 -4.226 5.494) 7.071 2.815 ( 2.949 0.761 -6.047) 6.771 2.847 ( -1.367 2.523 -0.441) 2.903 2.922 ( 1.423 1.139 1.204) 2.185 2.934 ( -4.463 -11.664 -3.248) 12.904 3.195 ( 0.707 1.576 1.250) 2.133 3.296 ( 0.101 0.891 0.517) 1.035 3.460 ( -0.109 -0.694 -1.919) 2.044 3.495 ( -0.059 -0.024 -0.211) 0.220 3.545 ( 0.006 -1.543 -0.618) 1.662 3.603 ( -0.771 0.464 4.617) 4.704 3.814 ( 0.964 -4.214 -2.390) 4.939 3.966 ( -2.437 -1.975 3.790) 4.920 4.060 ( -1.458 4.427 -3.618) 5.900 4.132 ( 2.386 2.078 2.336) 3.933 4.653 ( -5.059 -9.515 -2.032) 10.967 4.779 ( -2.426 -5.020 0.260) 5.582 5.431 ( 2.216 -1.107 -1.657) 2.980 5.602 ( 0.562 4.468 1.625) 4.788 5.911 ( 0.004 -0.540 -0.243) 0.592 10.752 ( 0.698 1.250 0.365) 1.478 10.871 ( -0.180 -1.273 -0.208) 1.303 10.903 ( 0.527 -0.068 -0.624) 0.819 10.977 ( -0.519 1.002 1.587) 1.947 11.001 ( 0.273 1.889 0.692) 2.030 11.247 ( -1.046 -2.086 -0.651) 2.422 11.497 ( 0.566 1.110 0.513) 1.348 12.016 ( -2.784 -8.114 -2.944) 9.069 12.254 ( -0.805 -0.156 2.561) 2.689 12.374 ( -0.874 0.771 -0.587) 1.305 12.574 ( 3.298 1.778 -2.045) 4.268 12.888 ( 1.194 5.469 0.724) 5.645 15.514 ( 0.123 -0.968 0.087) 0.980 15.541 ( -0.904 -0.491 0.203) 1.048 15.568 ( 0.314 0.811 -0.587) 1.050 16.499 ( 1.128 1.065 0.274) 1.575 16.520 ( 0.749 1.846 -0.450) 2.043 16.592 ( -0.486 0.359 0.838) 1.033 17.980 ( -0.763 -5.384 -0.763) 5.491 18.303 ( 0.544 5.430 1.055) 5.558 18.786 ( 2.163 4.499 -0.205) 4.996 18.822 ( -0.620 -1.432 0.493) 1.636 19.033 ( -1.586 -3.949 0.665) 4.307 19.055 ( -0.943 -2.594 -0.435) 2.794 ======================= Grid point 231 (109/125) ======================= q-point: ( 0.33 -0.33 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 13.556 2.742 3.823) 14.349 0.819 ( 12.029 -0.250 5.098) 13.067 1.311 ( -6.922 2.890 1.555) 7.660 1.462 ( -4.277 4.059 -0.007) 5.896 1.760 ( -2.535 -4.046 -1.117) 4.903 1.800 ( 3.262 -5.460 -8.919) 10.954 1.855 ( -4.323 2.035 -7.549) 8.934 2.181 ( -2.832 6.862 -3.652) 8.273 2.312 ( -1.319 2.264 -2.105) 3.360 2.514 ( -1.630 5.252 1.838) 5.798 2.555 ( -1.408 2.107 -0.744) 2.642 2.757 ( -6.838 5.571 2.207) 9.092 2.815 ( 2.564 -6.201 0.238) 6.715 2.865 ( 2.751 -5.147 2.552) 6.370 2.992 ( 5.246 -3.040 1.190) 6.179 3.224 ( -2.173 0.745 -1.183) 2.584 3.363 ( -0.210 -0.343 -1.428) 1.484 3.434 ( 2.423 0.213 -1.442) 2.828 3.494 ( -0.600 -0.511 -1.007) 1.279 3.619 ( 1.555 -2.382 -2.215) 3.605 3.686 ( -0.498 2.503 1.408) 2.915 3.740 ( -1.013 1.942 -2.628) 3.421 3.976 ( -1.063 -1.392 0.915) 1.977 4.084 ( -1.909 0.358 -1.180) 2.272 4.142 ( -1.058 1.076 1.050) 1.838 4.568 ( 3.364 -5.365 6.544) 9.106 4.790 ( 1.928 -3.157 1.769) 4.101 5.357 ( 5.063 -0.164 1.112) 5.186 5.676 ( -2.593 2.444 -3.832) 5.232 5.901 ( 0.436 -0.762 1.077) 1.390 10.803 ( -0.520 -0.476 -2.378) 2.480 10.856 ( 1.070 0.427 -0.217) 1.172 10.901 ( -0.201 -0.190 0.609) 0.669 11.020 ( -0.242 1.306 -1.675) 2.138 11.068 ( -2.704 1.013 -1.898) 3.456 11.149 ( 0.074 0.349 2.830) 2.852 11.557 ( 0.574 -0.739 -1.690) 1.932 11.902 ( 3.863 -4.169 5.798) 8.119 12.272 ( -1.860 3.996 2.798) 5.221 12.387 ( -2.841 -8.602 -0.092) 9.059 12.480 ( 7.035 4.935 -0.585) 8.613 12.884 ( -6.071 3.108 -0.640) 6.851 15.511 ( 1.417 0.320 0.122) 1.458 15.524 ( 0.190 -0.333 1.056) 1.123 15.570 ( -1.476 -0.522 -0.462) 1.632 16.472 ( -0.267 1.403 0.934) 1.706 16.516 ( -1.268 1.669 -0.973) 2.311 16.638 ( -0.652 -1.019 -0.807) 1.454 17.977 ( 8.014 -3.212 0.688) 8.661 18.374 ( -6.577 0.756 -3.655) 7.562 18.692 ( -4.512 4.431 1.980) 6.627 18.886 ( 0.835 0.003 -1.665) 1.862 19.055 ( 3.013 -1.342 0.498) 3.336 19.097 ( 1.947 -2.535 -1.239) 3.428 ======================= Grid point 232 (110/125) ======================= q-point: ( 0.44 -0.33 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 12.049 4.966 2.496) 13.269 1.062 ( 6.999 7.196 12.449) 15.992 1.322 ( -4.253 3.303 3.284) 6.307 1.448 ( -6.758 4.163 0.713) 7.970 1.589 ( -3.085 -7.457 -7.974) 11.345 1.679 ( -2.781 6.340 -6.257) 9.332 1.760 ( -0.221 -1.128 -3.654) 3.830 2.074 ( -4.906 11.183 -9.091) 15.224 2.297 ( 1.413 -2.940 0.680) 3.332 2.423 ( -3.868 2.783 -4.716) 6.704 2.674 ( -1.740 1.874 6.452) 6.941 2.747 ( -4.537 2.576 -0.204) 5.221 2.793 ( 2.242 -1.876 -0.138) 2.926 2.927 ( 3.589 -1.379 1.503) 4.128 3.032 ( 6.746 -8.671 0.279) 10.990 3.195 ( -1.891 2.129 -0.861) 2.975 3.322 ( 0.133 -0.474 -2.609) 2.655 3.446 ( 1.433 0.192 0.575) 1.556 3.474 ( -1.253 0.088 0.325) 1.298 3.585 ( 1.580 -1.491 -1.994) 2.948 3.670 ( -1.306 0.072 -3.683) 3.909 3.773 ( 1.638 2.317 4.708) 5.497 3.977 ( -2.392 -1.610 1.511) 3.255 4.034 ( -0.790 -1.777 -2.352) 3.052 4.145 ( -0.682 1.918 -0.874) 2.216 4.671 ( 3.776 -7.685 5.453) 10.151 4.808 ( 1.229 -6.312 1.273) 6.555 5.423 ( 3.976 2.834 1.157) 5.017 5.600 ( -3.593 2.302 -3.053) 5.247 5.914 ( 0.504 -0.281 0.213) 0.615 10.763 ( -0.215 0.744 -1.824) 1.981 10.870 ( 1.149 0.099 0.627) 1.313 10.905 ( -0.078 -0.455 0.004) 0.462 10.991 ( -0.791 0.490 -1.622) 1.870 11.011 ( -1.619 1.276 -2.256) 3.056 11.214 ( -0.167 -0.444 3.858) 3.887 11.521 ( 0.293 -0.711 -2.188) 2.319 12.014 ( 4.713 -4.495 5.236) 8.357 12.289 ( -1.806 -3.579 -1.722) 4.364 12.343 ( -2.258 -0.592 2.541) 3.450 12.551 ( 4.988 4.728 -0.058) 6.873 12.841 ( -5.432 3.960 -0.487) 6.740 15.525 ( 1.391 -0.128 0.014) 1.397 15.542 ( 0.023 -0.296 1.046) 1.088 15.550 ( -1.167 -0.509 -0.133) 1.280 16.489 ( -0.144 1.759 0.475) 1.828 16.500 ( -1.457 1.739 -0.508) 2.325 16.610 ( -0.211 -0.454 -1.444) 1.528 18.034 ( 6.864 -2.949 0.022) 7.471 18.275 ( -5.941 1.075 -1.801) 6.300 18.714 ( -3.280 4.331 1.815) 5.728 18.863 ( 0.973 0.266 -1.940) 2.186 19.071 ( 1.044 -2.958 0.288) 3.150 19.083 ( 2.380 -2.445 -0.830) 3.512 ======================= Grid point 233 (111/125) ======================= q-point: ( 0.56 -0.33 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 5.041 1.939 -1.793) 5.690 1.305 ( -3.477 0.365 -5.551) 6.560 1.341 ( 5.300 1.894 2.763) 6.270 1.431 ( -1.773 -4.985 -0.310) 5.300 1.480 ( -5.561 13.414 10.547) 17.947 1.640 ( 1.167 9.753 -2.694) 10.186 1.705 ( -2.086 0.849 -0.550) 2.319 1.934 ( -3.563 9.949 -7.555) 12.991 2.311 ( 2.574 -6.668 0.604) 7.173 2.354 ( -2.382 6.323 -1.767) 6.984 2.704 ( -6.178 -0.811 2.476) 6.705 2.724 ( 3.111 -0.434 -2.030) 3.741 2.853 ( 0.882 0.470 3.292) 3.440 2.931 ( 0.362 3.869 -2.683) 4.722 3.041 ( 4.137 -11.258 0.729) 12.016 3.182 ( -0.730 1.713 -0.609) 1.959 3.288 ( -0.008 0.868 -1.013) 1.334 3.472 ( 0.833 -0.456 1.368) 1.666 3.487 ( -0.775 0.502 0.746) 1.187 3.565 ( 0.847 -0.876 -0.238) 1.241 3.592 ( -0.586 -0.661 -3.556) 3.664 3.853 ( 0.985 -2.244 0.432) 2.488 3.980 ( -4.655 -0.819 4.241) 6.351 4.005 ( 3.724 -0.943 -0.675) 3.900 4.122 ( -0.755 2.862 -2.074) 3.614 4.739 ( 4.442 -9.081 2.438) 10.399 4.793 ( -1.220 -7.211 1.050) 7.388 5.462 ( 1.510 0.814 -1.554) 2.315 5.555 ( -2.070 4.646 -0.144) 5.088 5.916 ( 0.173 -0.187 -0.097) 0.272 10.744 ( -0.194 1.537 -0.760) 1.726 10.889 ( 1.097 -0.817 -1.247) 1.851 10.899 ( -0.804 0.299 1.553) 1.774 10.961 ( -0.447 -0.091 -0.878) 0.989 10.989 ( -0.165 1.471 -0.311) 1.513 11.259 ( 0.123 -2.181 1.708) 2.772 11.491 ( -0.056 0.492 -0.985) 1.103 12.103 ( 5.092 -6.651 2.153) 8.649 12.209 ( -4.276 -4.071 -0.455) 5.922 12.382 ( 0.622 2.570 1.265) 2.931 12.579 ( 0.687 2.978 -1.908) 3.603 12.833 ( -2.121 5.773 0.836) 6.207 15.521 ( -0.072 -1.229 -0.454) 1.312 15.548 ( 0.951 -0.246 0.089) 0.986 15.559 ( -0.663 0.424 0.874) 1.176 16.490 ( -0.689 1.433 -0.573) 1.690 16.506 ( -0.265 2.228 0.447) 2.288 16.589 ( 0.036 -0.031 -0.547) 0.549 18.040 ( 2.402 -4.895 -1.759) 5.729 18.247 ( -1.944 3.808 1.228) 4.448 18.741 ( -1.963 4.184 1.447) 4.843 18.839 ( 0.809 0.081 -1.616) 1.809 19.058 ( 0.575 -4.229 -0.202) 4.273 19.081 ( 1.037 -2.337 -0.144) 2.561 ======================= Grid point 234 (112/125) ======================= q-point: (-0.33 -0.33 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -0.145 -0.060 -10.521) 10.523 1.143 ( 1.117 -0.708 -10.359) 10.443 1.360 ( 2.663 -2.914 1.948) 4.402 1.459 ( -3.548 -4.392 5.878) 8.150 1.612 ( -0.829 12.035 -4.957) 13.042 1.719 ( -2.359 1.294 2.940) 3.985 1.744 ( -0.936 14.136 4.884) 14.985 1.933 ( 2.658 10.865 5.630) 12.522 2.285 ( 0.496 -4.756 -0.455) 4.803 2.396 ( 1.266 7.032 2.283) 7.501 2.699 ( 8.624 -0.293 -5.079) 10.012 2.719 ( -7.358 -1.980 5.163) 9.204 2.865 ( -0.387 -0.139 -1.051) 1.128 2.923 ( -0.515 2.299 -0.863) 2.509 2.993 ( -1.589 -11.273 -1.401) 11.470 3.186 ( 0.383 2.007 0.670) 2.150 3.297 ( -0.230 0.834 1.306) 1.567 3.460 ( -0.127 -0.328 -2.282) 2.309 3.494 ( 0.195 -0.250 0.169) 0.360 3.544 ( 0.194 -1.570 -0.410) 1.635 3.611 ( -0.134 0.582 4.258) 4.299 3.796 ( 0.637 -4.468 -3.638) 5.797 4.000 ( -0.598 0.143 0.870) 1.065 4.073 ( 0.331 0.653 2.360) 2.471 4.103 ( 0.077 3.721 0.270) 3.731 4.707 ( -0.681 -8.603 -2.248) 8.918 4.788 ( 0.720 -7.350 1.579) 7.552 5.414 ( -0.607 -1.032 -2.907) 3.144 5.594 ( 0.682 5.127 1.533) 5.394 5.912 ( -0.193 -0.581 -0.083) 0.618 10.747 ( -0.078 1.407 0.392) 1.462 10.865 ( 0.725 -1.091 -1.280) 1.831 10.910 ( -1.202 -0.519 0.199) 1.325 10.973 ( 0.732 1.173 1.896) 2.347 11.003 ( -0.303 2.119 0.969) 2.350 11.253 ( 0.372 -2.119 -1.278) 2.503 11.495 ( -0.221 0.744 0.972) 1.244 12.052 ( -1.117 -8.818 -3.461) 9.539 12.229 ( 1.779 -0.896 3.003) 3.603 12.411 ( -0.275 1.294 0.516) 1.420 12.536 ( -0.451 2.143 -3.777) 4.366 12.878 ( 0.013 6.353 1.481) 6.523 15.509 ( 0.273 -1.053 -0.352) 1.144 15.550 ( 0.375 -0.539 -0.387) 0.762 15.568 ( -0.631 0.842 0.502) 1.166 16.485 ( 0.394 1.034 -0.470) 1.202 16.515 ( -0.177 1.902 -0.163) 1.918 16.598 ( -0.247 0.777 1.385) 1.607 17.986 ( 0.029 -5.876 -2.013) 6.211 18.300 ( -0.110 5.470 2.622) 6.067 18.768 ( -0.153 5.045 -0.090) 5.048 18.826 ( 0.168 -1.194 0.118) 1.211 19.038 ( 0.553 -4.603 -0.101) 4.638 19.070 ( -0.456 -2.721 0.043) 2.759 ======================= Grid point 235 (113/125) ======================= q-point: (-0.22 -0.33 0.22) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 5.743 -5.329 -9.636) 12.419 0.961 ( 6.794 -1.660 -13.485) 15.191 1.388 ( -0.456 1.822 -0.509) 1.946 1.537 ( -0.603 1.322 4.283) 4.522 1.597 ( -2.215 4.740 2.675) 5.876 1.741 ( 0.109 -3.644 0.938) 3.764 1.822 ( -3.866 10.160 2.935) 11.260 2.162 ( 4.611 8.584 6.240) 11.571 2.287 ( -0.093 0.962 2.581) 2.756 2.505 ( 1.796 6.937 4.466) 8.444 2.659 ( 5.997 1.275 -6.347) 8.825 2.738 ( -4.799 -4.775 2.663) 7.275 2.845 ( -3.516 -10.168 -2.815) 11.121 2.859 ( 0.752 3.500 -0.222) 3.587 2.932 ( -0.486 -2.366 0.021) 2.416 3.227 ( 0.519 2.774 1.810) 3.352 3.324 ( -0.860 -0.310 1.972) 2.173 3.424 ( 0.576 -1.047 -1.558) 1.964 3.486 ( -0.275 -0.074 -0.122) 0.310 3.556 ( -0.523 -2.464 2.044) 3.243 3.690 ( -0.245 1.250 3.953) 4.153 3.739 ( 2.370 -1.093 -1.983) 3.278 4.004 ( 0.356 1.397 -1.047) 1.781 4.072 ( -3.528 1.677 1.184) 4.082 4.160 ( 1.371 2.409 1.174) 3.010 4.597 ( -3.449 -7.739 -3.825) 9.296 4.762 ( -1.247 -6.212 -0.624) 6.367 5.363 ( 2.381 -2.184 -2.721) 4.224 5.655 ( 0.475 3.940 2.419) 4.647 5.903 ( -0.246 -1.054 -0.327) 1.130 10.770 ( 0.062 0.873 1.619) 1.841 10.850 ( 0.677 -1.026 -0.486) 1.322 10.902 ( -0.228 -0.642 0.131) 0.693 11.014 ( -0.365 2.012 1.114) 2.329 11.045 ( -0.312 2.615 2.947) 3.953 11.211 ( 0.492 -0.488 -2.996) 3.075 11.520 ( -0.228 0.131 1.707) 1.727 11.931 ( -1.715 -7.417 -4.386) 8.786 12.285 ( 2.116 -0.782 1.658) 2.800 12.391 ( -5.431 0.140 -0.694) 5.477 12.494 ( 4.998 1.057 -3.392) 6.132 12.930 ( -0.229 5.816 1.024) 5.910 15.504 ( 0.645 -0.796 -0.157) 1.037 15.537 ( -0.038 -0.603 -0.873) 1.062 15.574 ( -0.944 1.211 0.341) 1.573 16.489 ( 1.118 0.629 -0.351) 1.330 16.524 ( 0.599 1.442 0.289) 1.588 16.625 ( -1.199 1.326 1.429) 2.289 17.928 ( 0.725 -6.223 -1.607) 6.467 18.373 ( -1.350 6.267 3.058) 7.102 18.777 ( 0.867 5.248 -1.810) 5.619 18.841 ( 0.229 -1.795 2.175) 2.829 19.023 ( 1.068 -4.461 0.229) 4.593 19.050 ( -1.731 -3.108 0.259) 3.567 ======================= Grid point 291 (114/125) ======================= q-point: ( 0.33 -0.67 0.33) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.000 -0.000 -1.267) 1.267 1.090 ( 0.000 0.000 -1.267) 1.267 1.451 ( 0.000 -0.000 -14.159) 14.159 1.659 ( -0.000 0.000 -9.765) 9.765 1.659 ( 0.000 0.000 -9.765) 9.765 1.975 ( 0.000 -0.000 -2.104) 2.104 2.103 ( 0.000 0.000 5.892) 5.892 2.103 ( 0.000 0.000 5.892) 5.892 2.306 ( 0.000 0.000 -4.229) 4.229 2.306 ( 0.000 0.000 -4.229) 4.229 2.434 ( -0.000 0.000 3.651) 3.651 2.502 ( -0.000 0.000 8.340) 8.340 2.816 ( -0.000 0.000 1.246) 1.246 2.956 ( -0.000 0.000 0.595) 0.595 2.956 ( 0.000 -0.000 0.595) 0.595 3.263 ( 0.000 -0.000 -0.672) 0.672 3.469 ( -0.000 0.000 1.207) 1.207 3.469 ( 0.000 -0.000 1.207) 1.207 3.492 ( 0.000 -0.000 -2.792) 2.792 3.714 ( -0.000 -0.000 1.158) 1.158 3.714 ( -0.000 -0.000 1.158) 1.158 3.774 ( 0.000 -0.000 -6.566) 6.566 3.956 ( 0.000 -0.000 1.991) 1.991 3.956 ( 0.000 0.000 1.991) 1.991 4.084 ( -0.000 0.000 1.705) 1.705 4.516 ( 0.000 -0.000 5.923) 5.923 4.516 ( -0.000 -0.000 5.923) 5.923 5.669 ( 0.000 0.000 -4.472) 4.472 5.669 ( 0.000 0.000 -4.472) 4.472 5.821 ( -0.000 0.000 4.235) 4.235 10.806 ( -0.000 0.000 1.224) 1.224 10.871 ( 0.000 -0.000 0.063) 0.063 10.871 ( 0.000 -0.000 0.063) 0.063 11.080 ( 0.000 -0.000 -1.883) 1.883 11.080 ( 0.000 0.000 -1.883) 1.883 11.222 ( 0.000 -0.000 -2.060) 2.060 11.633 ( 0.000 -0.000 -3.674) 3.674 11.855 ( 0.000 -0.000 6.264) 6.264 11.855 ( -0.000 -0.000 6.264) 6.264 12.587 ( 0.000 0.000 -0.927) 0.927 12.587 ( 0.000 0.000 -0.927) 0.927 12.748 ( 0.000 -0.000 -3.059) 3.059 15.523 ( 0.000 -0.000 0.595) 0.595 15.523 ( 0.000 0.000 0.595) 0.595 15.547 ( 0.000 -0.000 -0.566) 0.566 16.503 ( 0.000 0.000 -1.951) 1.951 16.503 ( 0.000 0.000 -1.951) 1.951 16.633 ( -0.000 0.000 1.755) 1.755 18.335 ( 0.000 -0.000 -3.301) 3.301 18.335 ( 0.000 -0.000 -3.301) 3.301 18.351 ( -0.000 0.000 6.173) 6.173 18.919 ( 0.000 -0.000 -0.373) 0.373 19.114 ( 0.000 -0.000 1.258) 1.258 19.114 ( 0.000 -0.000 1.258) 1.258 ======================= Grid point 294 (115/125) ======================= q-point: (-0.56 0.33 0.33) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -9.637 -2.597 -2.524) 10.295 1.118 ( 1.484 4.763 -0.672) 5.034 1.145 ( -4.317 -13.923 -10.973) 18.245 1.461 ( -5.552 3.614 -5.046) 8.327 1.643 ( 15.963 7.528 -8.779) 19.712 1.926 ( -0.483 -0.484 -3.452) 3.519 2.071 ( -3.907 0.503 -5.446) 6.721 2.113 ( 2.733 -0.826 -4.911) 5.681 2.314 ( -2.622 -0.931 4.034) 4.900 2.352 ( 1.901 -0.737 6.421) 6.737 2.493 ( 5.481 3.354 0.822) 6.478 2.571 ( 0.680 0.190 -1.921) 2.046 2.872 ( -1.795 -0.934 6.949) 7.238 2.944 ( -2.631 -2.133 0.324) 3.403 2.985 ( 1.091 1.656 1.563) 2.525 3.251 ( -0.752 -0.369 -0.163) 0.854 3.421 ( -3.120 -1.148 -2.248) 4.013 3.473 ( 1.489 -1.605 -1.189) 2.491 3.494 ( 1.094 2.248 -0.555) 2.561 3.691 ( -0.884 -1.053 -2.562) 2.908 3.705 ( -1.445 0.416 -1.131) 1.882 3.725 ( 1.227 -0.055 -0.771) 1.451 3.978 ( -1.020 1.866 1.518) 2.613 4.003 ( 3.038 -0.669 0.987) 3.263 4.110 ( 0.018 0.107 1.345) 1.350 4.578 ( -4.657 -2.768 7.290) 9.083 4.683 ( 4.121 2.498 6.780) 8.318 5.532 ( -6.097 -3.284 -3.878) 7.937 5.645 ( 4.558 2.255 -4.435) 6.748 5.880 ( -0.039 0.098 2.591) 2.594 10.828 ( 0.087 0.092 0.421) 0.439 10.869 ( -0.574 -0.428 0.222) 0.750 10.882 ( 0.492 0.377 0.618) 0.876 11.033 ( -0.506 -0.634 -2.020) 2.176 11.055 ( 1.089 0.837 -2.327) 2.702 11.160 ( -0.120 0.015 -3.241) 3.244 11.601 ( -0.593 -0.360 -0.674) 0.967 11.914 ( -4.751 -2.611 7.027) 8.875 12.033 ( 6.058 3.455 6.323) 9.414 12.527 ( -3.322 -3.298 -1.249) 4.845 12.574 ( -2.762 -0.116 -1.643) 3.216 12.732 ( 5.272 2.891 -1.808) 6.279 15.524 ( -0.500 -1.055 0.394) 1.232 15.530 ( -0.963 0.111 0.299) 1.014 15.550 ( 1.230 0.807 0.089) 1.474 16.461 ( -1.070 -0.661 -0.751) 1.465 16.493 ( 1.673 0.894 -1.510) 2.425 16.651 ( -0.018 0.114 0.224) 0.252 18.208 ( -8.687 -4.406 -1.699) 9.888 18.321 ( 4.691 1.463 -3.480) 6.021 18.481 ( 4.883 3.509 3.876) 7.154 18.909 ( 0.175 0.126 -0.887) 0.913 19.113 ( -1.898 -1.299 0.758) 2.422 19.138 ( 0.285 0.274 0.411) 0.571 ======================= Grid point 295 (116/125) ======================= q-point: (-0.44 0.33 0.33) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -12.605 -5.612 -2.205) 13.973 0.929 ( -6.345 -9.495 2.510) 11.693 1.198 ( 6.762 4.984 2.002) 8.635 1.409 ( 0.483 3.432 -1.585) 3.811 1.660 ( 13.174 7.912 -7.420) 17.065 1.845 ( -2.249 -0.161 -3.984) 4.578 1.922 ( -6.192 3.001 -8.382) 10.845 2.029 ( 8.341 -2.005 -7.733) 11.549 2.331 ( -3.588 0.601 0.507) 3.673 2.437 ( 3.671 -4.357 0.596) 5.728 2.518 ( 2.165 -0.745 0.263) 2.304 2.627 ( 6.301 5.840 3.896) 9.433 2.905 ( -3.065 -2.935 -0.547) 4.279 2.939 ( -4.258 1.594 2.147) 5.028 3.051 ( -0.067 -0.822 4.368) 4.445 3.230 ( -2.510 -1.023 -0.966) 2.877 3.369 ( -1.041 0.095 -1.103) 1.520 3.441 ( 0.298 -2.235 -1.878) 2.934 3.490 ( 0.628 1.818 -1.434) 2.399 3.659 ( -1.993 0.698 -2.494) 3.268 3.668 ( 0.064 -2.336 1.665) 2.869 3.711 ( 1.189 0.517 -2.144) 2.506 3.995 ( -1.460 1.457 0.591) 2.146 4.039 ( 3.631 -0.014 0.158) 3.634 4.131 ( 0.244 0.307 0.551) 0.676 4.658 ( -4.669 -2.967 7.419) 9.255 4.815 ( 0.395 0.711 4.810) 4.878 5.423 ( -4.978 -2.463 -1.391) 5.725 5.614 ( 4.029 1.439 -4.088) 5.917 5.911 ( -0.266 0.185 1.006) 1.057 10.805 ( -0.039 0.156 -2.801) 2.805 10.865 ( -0.813 -0.815 0.272) 1.183 10.901 ( 0.258 0.496 0.810) 0.984 11.001 ( 0.787 -0.459 -1.528) 1.779 11.035 ( 1.728 1.770 -2.364) 3.422 11.149 ( -0.176 -0.281 2.470) 2.493 11.575 ( -0.979 -0.543 -1.584) 1.939 11.986 ( -4.607 -1.815 6.625) 8.271 12.192 ( 5.004 2.530 4.669) 7.297 12.462 ( -1.022 -6.926 -1.112) 7.089 12.508 ( -6.108 2.672 -1.759) 6.895 12.778 ( 7.033 3.857 -1.044) 8.088 15.519 ( -0.542 -1.488 0.315) 1.614 15.532 ( -0.722 0.199 0.722) 1.041 15.563 ( 0.730 0.976 -0.114) 1.224 16.456 ( 0.470 -0.232 0.489) 0.717 16.487 ( 1.405 0.883 -0.956) 1.915 16.642 ( 0.042 0.494 -1.263) 1.357 18.100 ( -7.895 -4.439 -0.438) 9.068 18.307 ( 4.431 2.415 -3.402) 6.086 18.594 ( 5.307 3.185 2.583) 6.706 18.890 ( -0.101 0.033 -1.421) 1.425 19.098 ( -2.352 -1.927 0.483) 3.079 19.133 ( -1.235 -0.391 -0.432) 1.366 ======================= Grid point 296 (117/125) ======================= q-point: (-0.33 0.33 0.33) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -5.919 -5.465 6.752) 10.511 0.983 ( -3.945 -2.555 10.043) 11.088 1.337 ( 5.179 5.104 3.662) 8.141 1.432 ( 5.468 1.134 1.544) 5.794 1.641 ( 2.014 1.390 -8.393) 8.743 1.732 ( 0.939 9.107 -7.567) 11.878 1.780 ( -1.176 0.778 -3.876) 4.124 1.967 ( 10.926 0.615 -8.343) 13.760 2.310 ( -0.833 -0.187 -0.479) 0.979 2.405 ( 2.740 -0.432 -3.600) 4.545 2.598 ( 3.510 -5.843 5.954) 9.051 2.771 ( 5.503 5.453 3.469) 8.489 2.832 ( -4.613 1.482 -3.984) 6.273 2.927 ( -2.446 -0.363 0.183) 2.479 3.071 ( -8.413 -4.481 2.556) 9.869 3.189 ( 0.965 0.543 -1.728) 2.052 3.332 ( -0.255 0.652 -2.915) 2.998 3.429 ( -0.057 -1.292 1.520) 1.996 3.484 ( 0.388 0.886 -0.178) 0.983 3.594 ( -2.194 -0.553 -2.718) 3.536 3.671 ( 1.419 0.273 -3.530) 3.815 3.736 ( -0.301 -1.737 5.688) 5.955 3.996 ( -0.355 -0.391 0.427) 0.679 4.063 ( 1.886 2.208 -0.415) 2.933 4.127 ( 0.997 0.093 -1.849) 2.103 4.714 ( -5.946 -3.364 5.301) 8.647 4.850 ( -4.115 -2.312 1.437) 4.934 5.388 ( -2.458 -0.618 1.545) 2.968 5.589 ( 4.185 1.180 -3.018) 5.293 5.916 ( -0.494 0.138 0.081) 0.520 10.760 ( 0.508 0.462 -2.237) 2.340 10.860 ( -0.827 -1.070 0.595) 1.478 10.913 ( -0.497 0.353 0.357) 0.706 10.989 ( 1.427 0.526 -1.156) 1.910 11.012 ( 1.829 1.437 -2.568) 3.465 11.213 ( -0.175 -0.785 4.194) 4.271 11.528 ( -0.797 -0.191 -2.386) 2.523 12.042 ( -5.990 -1.746 5.528) 8.336 12.269 ( 1.380 -0.638 -0.268) 1.544 12.423 ( 1.885 -7.017 -0.126) 7.267 12.470 ( -3.778 5.928 1.158) 7.124 12.835 ( 6.626 3.713 -1.109) 7.676 15.513 ( -0.722 -1.168 0.386) 1.426 15.543 ( -0.201 -0.349 0.838) 0.930 15.568 ( 0.243 1.093 -0.314) 1.163 16.471 ( 1.008 -0.097 0.286) 1.052 16.495 ( 1.687 1.120 -0.099) 2.028 16.619 ( 0.357 0.806 -1.778) 1.984 18.025 ( -6.614 -3.892 0.876) 7.724 18.299 ( 4.407 2.917 -3.056) 6.105 18.690 ( 5.318 2.770 1.916) 6.295 18.859 ( -0.725 -0.233 -1.676) 1.841 19.074 ( -2.811 -2.601 0.332) 3.845 19.103 ( -2.641 -0.805 -0.629) 2.832 ======================= Grid point 303 (118/125) ======================= q-point: ( 0.44 -0.56 0.33) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 3.001 -10.982 -1.464) 11.479 1.031 ( -6.144 -2.584 -0.412) 6.678 1.134 ( 1.058 7.150 0.727) 7.264 1.427 ( 9.852 4.684 -4.269) 11.715 1.468 ( -7.661 6.556 -5.093) 11.296 1.863 ( 0.341 -1.766 -4.089) 4.467 1.943 ( 2.506 -3.019 -8.184) 9.076 1.997 ( -2.666 5.580 -8.149) 10.230 2.348 ( 1.348 -2.299 -5.007) 5.672 2.459 ( -4.272 0.697 4.802) 6.465 2.484 ( 0.624 0.382 3.218) 3.300 2.561 ( 1.504 3.947 2.562) 4.940 2.928 ( -0.334 -5.045 -0.034) 5.056 2.982 ( 1.714 1.123 -0.575) 2.128 3.032 ( -0.966 1.822 5.704) 6.065 3.257 ( 0.150 -2.272 0.832) 2.424 3.386 ( 0.485 -1.446 -2.587) 3.003 3.444 ( -1.698 -0.949 -0.956) 2.168 3.474 ( 1.133 1.919 -1.626) 2.759 3.665 ( 0.441 -2.352 -0.925) 2.565 3.687 ( -1.208 0.010 -0.857) 1.481 3.700 ( 0.593 1.613 -1.304) 2.157 3.993 ( 1.248 -1.344 0.939) 2.060 4.018 ( -1.190 2.087 0.268) 2.418 4.129 ( 0.045 0.146 0.536) 0.558 4.706 ( -0.157 -6.326 7.737) 9.995 4.800 ( 0.209 3.428 5.988) 6.903 5.481 ( 0.284 -4.155 -2.430) 4.822 5.568 ( -0.402 4.061 -4.116) 5.796 5.911 ( 0.083 0.056 1.002) 1.007 10.804 ( 0.043 -0.233 -2.818) 2.828 10.877 ( -0.201 -0.723 0.468) 0.885 10.893 ( 0.220 0.688 0.733) 1.029 11.001 ( -0.702 0.192 -1.698) 1.847 11.013 ( 0.648 1.274 -2.426) 2.816 11.151 ( -0.039 -0.241 2.483) 2.495 11.583 ( 0.006 -0.756 -1.643) 1.809 12.033 ( 0.328 -4.947 6.613) 8.265 12.138 ( -0.213 6.181 5.493) 8.272 12.475 ( -0.889 -9.385 -1.697) 9.579 12.585 ( 1.155 4.076 -1.546) 4.510 12.691 ( -0.347 4.349 -1.397) 4.581 15.528 ( -0.516 -1.172 0.547) 1.392 15.545 ( 0.765 0.536 0.149) 0.946 15.546 ( -0.252 0.146 0.340) 0.447 16.456 ( -0.185 -0.299 0.023) 0.352 16.473 ( 0.089 1.458 -0.764) 1.648 16.640 ( 0.105 0.141 -1.381) 1.392 18.208 ( 0.635 -1.764 -1.710) 2.538 18.233 ( -0.686 -2.145 -2.578) 3.423 18.544 ( 0.075 4.855 2.995) 5.705 18.891 ( 0.017 0.258 -1.322) 1.347 19.123 ( -0.205 -2.021 0.343) 2.061 19.140 ( 0.149 -0.234 -0.042) 0.281 ======================= Grid point 305 (119/125) ======================= q-point: (-0.44 0.44 0.33) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -7.746 -0.283 1.657) 7.926 1.060 ( -4.422 -0.971 8.177) 9.347 1.243 ( 4.642 5.891 5.268) 9.166 1.396 ( -0.280 0.849 -1.952) 2.147 1.472 ( 12.166 8.643 -5.330) 15.847 1.771 ( -0.182 -3.183 -7.380) 8.039 1.787 ( -0.204 -1.863 -7.352) 7.587 1.877 ( 0.050 5.901 -6.883) 9.066 2.260 ( 3.097 4.280 -5.141) 7.372 2.466 ( -5.520 -4.321 0.416) 7.023 2.548 ( 1.493 -4.167 6.094) 7.532 2.695 ( 3.724 6.060 4.917) 8.647 2.880 ( -0.993 -1.711 -2.723) 3.366 2.953 ( -0.524 1.883 -3.589) 4.087 3.111 ( 0.269 0.200 2.998) 3.017 3.234 ( -3.126 -4.837 -0.278) 5.765 3.332 ( 0.204 0.064 -3.356) 3.363 3.432 ( -0.686 -0.714 1.391) 1.708 3.473 ( 0.992 1.134 -0.183) 1.517 3.623 ( -0.972 -0.578 -2.892) 3.105 3.649 ( 0.837 -0.080 -2.653) 2.783 3.751 ( -1.224 -0.310 6.216) 6.343 4.002 ( 0.371 -1.908 -0.182) 1.952 4.027 ( 1.231 1.710 0.319) 2.131 4.122 ( 0.005 0.513 -1.724) 1.799 4.789 ( -2.945 -5.569 6.308) 8.915 4.885 ( -0.369 -2.052 2.828) 3.513 5.437 ( -2.800 0.604 0.021) 2.864 5.526 ( 2.964 1.672 -3.440) 4.839 5.920 ( 0.027 0.218 -0.045) 0.224 10.754 ( 0.215 0.470 -2.612) 2.662 10.876 ( -1.034 -0.935 0.618) 1.525 10.912 ( 0.616 0.654 0.467) 1.012 10.974 ( 0.186 0.148 -1.371) 1.392 10.989 ( 0.973 1.208 -1.811) 2.385 11.217 ( -0.289 -0.670 4.602) 4.660 11.539 ( -0.341 -0.736 -2.675) 2.795 12.114 ( -2.234 -2.691 5.807) 6.779 12.244 ( 1.151 3.659 2.295) 4.470 12.397 ( 0.223 -10.177 -0.719) 10.205 12.554 ( -4.708 4.825 -1.713) 6.956 12.725 ( 5.873 5.036 -0.809) 7.779 15.527 ( -0.886 -0.943 0.544) 1.404 15.547 ( -0.288 -0.246 0.386) 0.541 15.560 ( 0.795 0.376 0.155) 0.893 16.460 ( 0.212 0.436 0.248) 0.544 16.475 ( 0.746 1.430 -0.237) 1.630 16.613 ( 0.332 0.397 -1.881) 1.951 18.133 ( -6.330 -3.084 -0.531) 7.062 18.225 ( 4.869 0.176 -1.978) 5.258 18.621 ( 2.542 4.479 2.017) 5.531 18.866 ( -0.175 0.127 -1.495) 1.511 19.110 ( -1.411 -2.453 0.281) 2.844 19.131 ( -0.702 -1.132 -0.385) 1.387 ======================= Grid point 306 (120/125) ======================= q-point: (-0.33 0.44 0.33) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -2.751 0.232 5.246) 5.928 1.183 ( -4.491 3.673 8.546) 10.329 1.358 ( 1.764 -2.179 0.229) 2.813 1.459 ( 8.529 5.936 5.102) 11.576 1.501 ( 9.618 10.500 -7.359) 16.028 1.576 ( -2.602 -3.429 -7.800) 8.909 1.716 ( 1.169 1.146 -3.199) 3.594 1.822 ( 3.274 4.709 -2.893) 6.424 2.272 ( 5.461 5.931 -0.742) 8.096 2.392 ( -5.868 -5.815 -0.488) 8.275 2.643 ( 2.247 -5.878 5.659) 8.463 2.795 ( -2.462 4.707 -3.980) 6.638 2.833 ( 1.870 3.941 3.424) 5.546 2.896 ( 1.968 0.216 -3.598) 4.107 3.136 ( -4.487 -5.464 1.343) 7.197 3.173 ( -1.706 -1.094 -0.630) 2.122 3.286 ( 0.612 0.804 -2.049) 2.284 3.463 ( -0.194 0.046 2.234) 2.242 3.491 ( 0.511 0.233 0.459) 0.725 3.568 ( -1.418 -1.063 -0.873) 1.976 3.603 ( 0.563 -0.107 -3.135) 3.187 3.844 ( -2.308 -1.268 4.904) 5.566 3.993 ( 0.768 -2.653 0.428) 2.795 4.058 ( 1.944 1.784 -0.503) 2.686 4.074 ( -0.247 1.491 -2.727) 3.118 4.813 ( -5.211 -5.726 2.972) 8.293 4.869 ( -3.246 -5.016 -0.542) 5.999 5.438 ( -1.783 1.631 1.220) 2.707 5.520 ( 4.135 2.042 -1.496) 4.848 5.917 ( -0.061 0.137 -0.194) 0.245 10.731 ( 0.709 0.972 -0.802) 1.446 10.877 ( -0.968 -0.995 1.066) 1.750 10.918 ( 0.276 0.764 -0.768) 1.118 10.957 ( 0.382 -0.283 -0.546) 0.724 10.981 ( 1.046 1.181 -0.804) 1.771 11.274 ( -0.933 -1.441 2.381) 2.935 11.493 ( -0.104 -0.020 -1.635) 1.638 12.163 ( -4.819 -3.384 3.766) 6.990 12.235 ( -0.735 -1.427 -2.144) 2.678 12.385 ( 1.632 -3.796 0.625) 4.179 12.532 ( -1.089 4.420 0.265) 4.560 12.784 ( 5.605 5.013 -0.723) 7.554 15.524 ( -0.949 -0.799 0.526) 1.348 15.549 ( 0.097 -0.591 0.162) 0.620 15.566 ( 0.159 0.480 -0.239) 0.560 16.470 ( 0.621 0.745 0.334) 1.026 16.489 ( 1.369 1.673 -0.068) 2.163 16.591 ( 0.370 0.332 -1.057) 1.168 18.072 ( -5.029 -3.997 0.735) 6.466 18.234 ( 3.475 2.203 -1.575) 4.405 18.694 ( 3.882 4.201 0.955) 5.799 18.841 ( -0.611 -0.346 -0.831) 1.088 19.088 ( -2.259 -2.793 0.374) 3.611 19.107 ( -1.661 -1.702 -0.417) 2.415 ======================= Grid point 313 (121/125) ======================= q-point: ( 0.44 -0.44 0.33) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 6.844 1.789 1.989) 7.349 1.072 ( 4.815 -0.571 6.883) 8.420 1.229 ( -3.987 4.835 5.218) 8.155 1.367 ( -3.187 1.180 -1.450) 3.695 1.490 ( -9.062 6.831 -4.574) 12.235 1.737 ( 3.253 -6.213 -7.906) 10.568 1.783 ( 0.390 -1.936 -5.642) 5.978 1.905 ( -2.340 7.763 -8.197) 11.529 2.264 ( -3.325 4.728 -4.786) 7.505 2.451 ( 4.228 -4.997 0.499) 6.565 2.631 ( -6.325 -0.108 5.942) 8.679 2.648 ( 0.395 5.920 4.536) 7.469 2.865 ( 2.301 -3.409 -3.804) 5.602 2.947 ( 0.875 0.724 -2.127) 2.411 3.121 ( -0.877 1.416 2.734) 3.201 3.226 ( 3.743 -5.970 -0.449) 7.061 3.328 ( 0.089 -0.400 -3.205) 3.231 3.448 ( 0.495 0.671 0.767) 1.133 3.462 ( -1.056 0.194 0.254) 1.103 3.616 ( 1.135 -1.317 -2.357) 2.929 3.656 ( -0.966 0.601 -3.301) 3.492 3.758 ( 0.665 0.746 6.331) 6.409 3.994 ( -0.287 -1.765 0.587) 1.882 4.031 ( -1.019 0.985 -0.618) 1.545 4.123 ( -0.096 0.658 -1.589) 1.722 4.791 ( 2.904 -5.477 6.255) 8.806 4.882 ( 0.467 -2.256 2.946) 3.740 5.430 ( 2.922 -0.199 -0.164) 2.933 5.535 ( -3.250 2.766 -3.361) 5.432 5.918 ( 0.115 -0.025 0.008) 0.118 10.753 ( -0.161 0.376 -2.583) 2.615 10.881 ( 0.901 -0.428 0.675) 1.204 10.907 ( -0.433 0.025 0.333) 0.547 10.979 ( -0.029 0.623 -1.428) 1.559 10.984 ( -1.145 0.794 -1.702) 2.199 11.219 ( 0.075 -0.302 4.604) 4.615 11.538 ( 0.427 -0.880 -2.704) 2.875 12.104 ( 2.872 -3.874 5.643) 7.423 12.250 ( -1.508 4.220 2.494) 5.129 12.418 ( -2.509 -9.510 -0.754) 9.865 12.533 ( 6.656 4.473 -1.640) 8.185 12.728 ( -5.759 5.246 -0.856) 7.837 15.537 ( 1.155 0.236 0.294) 1.215 15.542 ( -0.432 -0.556 0.507) 0.868 15.555 ( -0.356 -0.474 0.286) 0.658 16.465 ( -0.535 0.980 0.323) 1.162 16.472 ( -0.585 1.160 -0.396) 1.358 16.611 ( -0.148 0.083 -1.792) 1.800 18.133 ( 6.329 -2.949 -0.470) 6.998 18.224 ( -4.786 -0.114 -2.039) 5.204 18.621 ( -2.614 4.634 2.038) 5.697 18.866 ( 0.224 0.027 -1.485) 1.502 19.114 ( 1.069 -1.932 0.288) 2.227 19.127 ( 0.962 -1.512 -0.435) 1.844 ======================= Grid point 314 (122/125) ======================= q-point: (-0.44 0.56 0.33) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -1.053 3.750 -0.625) 3.944 1.259 ( -1.041 7.675 9.190) 12.018 1.294 ( 0.856 -0.330 -4.716) 4.804 1.341 ( 3.014 4.439 5.016) 7.345 1.430 ( -2.018 5.465 -1.184) 5.945 1.617 ( 1.451 -5.130 -5.525) 7.678 1.697 ( -0.027 -0.269 -2.368) 2.384 1.805 ( -0.740 5.713 -4.520) 7.322 2.223 ( -0.319 8.521 -1.484) 8.655 2.445 ( 0.744 -8.201 -0.359) 8.243 2.663 ( -5.313 -1.925 5.790) 8.090 2.756 ( 3.725 1.917 0.025) 4.189 2.835 ( 2.480 2.515 0.646) 3.591 2.881 ( -1.753 2.929 -5.401) 6.389 3.156 ( -0.595 0.388 1.577) 1.730 3.205 ( 0.725 -7.572 -0.703) 7.639 3.279 ( 0.230 0.299 -1.923) 1.960 3.473 ( -1.051 0.282 1.721) 2.036 3.479 ( 0.861 0.367 0.920) 1.312 3.582 ( 0.084 -0.884 -1.089) 1.405 3.596 ( -0.068 -0.321 -2.754) 2.774 3.869 ( -0.475 -0.371 4.336) 4.378 3.989 ( -0.838 -2.682 0.817) 2.926 4.029 ( 1.654 0.935 0.339) 1.930 4.082 ( -0.563 1.673 -3.094) 3.562 4.866 ( -0.112 -5.855 3.934) 7.055 4.887 ( 0.124 -6.221 -0.379) 6.233 5.462 ( 2.525 1.395 -1.180) 3.117 5.476 ( -2.590 3.271 -0.221) 4.178 5.917 ( 0.071 0.142 -0.190) 0.248 10.725 ( 0.024 1.038 -0.933) 1.396 10.894 ( -0.860 -0.489 0.893) 1.333 10.905 ( 0.989 -0.203 -0.658) 1.205 10.958 ( -0.305 0.115 -0.348) 0.476 10.970 ( 0.209 1.135 -0.598) 1.300 11.283 ( -0.162 -1.264 2.532) 2.835 11.493 ( 0.089 -0.426 -1.721) 1.775 12.192 ( 1.386 -2.302 4.280) 5.054 12.249 ( -1.197 -2.515 -2.884) 4.010 12.380 ( -0.894 -4.347 2.659) 5.174 12.544 ( 0.884 3.150 -2.858) 4.345 12.728 ( -0.153 7.141 0.453) 7.157 15.536 ( -0.440 -0.940 -0.031) 1.039 15.549 ( 0.252 0.369 0.219) 0.497 15.561 ( 0.178 -0.539 0.337) 0.660 16.467 ( -0.316 1.043 0.036) 1.090 16.476 ( 0.260 1.792 -0.022) 1.811 16.587 ( 0.068 0.257 -0.831) 0.872 18.126 ( -0.084 -5.110 -1.573) 5.347 18.195 ( 0.134 2.244 0.785) 2.381 18.660 ( -0.068 5.262 0.903) 5.339 18.845 ( 0.040 -0.267 -0.840) 0.882 19.109 ( -0.310 -2.772 0.213) 2.798 19.119 ( 0.277 -1.971 -0.317) 2.015 ======================= Grid point 316 (123/125) ======================= q-point: (-0.33 -0.44 0.33) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 2.691 -2.634 -3.911) 5.429 1.198 ( 7.173 -1.647 -9.680) 12.160 1.346 ( -3.145 4.246 0.539) 5.311 1.442 ( -0.706 10.811 -2.214) 11.058 1.518 ( 3.893 11.056 4.711) 12.633 1.540 ( -4.131 -7.454 3.952) 9.393 1.713 ( -0.388 1.197 2.531) 2.827 1.839 ( 4.234 6.578 5.165) 9.375 2.279 ( 2.961 8.006 1.309) 8.636 2.388 ( -2.662 -7.244 0.016) 7.718 2.710 ( -1.311 -2.183 2.772) 3.764 2.772 ( 4.625 1.915 -1.041) 5.113 2.783 ( -1.997 3.310 -5.180) 6.464 2.908 ( 0.503 1.414 2.869) 3.238 3.137 ( -3.442 -10.103 -1.105) 10.730 3.169 ( 0.506 1.091 0.081) 1.205 3.282 ( -0.041 0.758 1.652) 1.819 3.466 ( 0.435 -0.473 -1.560) 1.687 3.490 ( -0.195 0.811 -0.870) 1.205 3.568 ( -0.121 -1.546 0.545) 1.644 3.603 ( -0.399 0.319 3.450) 3.487 3.853 ( 0.843 -2.296 -4.195) 4.856 3.999 ( -0.466 -0.953 1.079) 1.513 4.034 ( -2.841 1.978 -1.297) 3.697 4.087 ( 2.325 1.361 2.833) 3.909 4.810 ( -2.647 -7.832 -2.930) 8.771 4.872 ( -2.452 -4.836 0.467) 5.442 5.429 ( 1.362 -0.813 -1.745) 2.358 5.530 ( 0.772 4.727 2.176) 5.261 5.916 ( -0.011 -0.093 0.020) 0.096 10.730 ( 0.426 1.056 0.739) 1.357 10.885 ( 0.474 -1.077 -0.918) 1.492 10.906 ( -0.717 -0.012 0.461) 0.853 10.966 ( 0.189 0.619 0.956) 1.155 10.975 ( 0.183 1.400 0.475) 1.490 11.277 ( -0.411 -1.295 -2.033) 2.445 11.491 ( -0.161 -0.230 1.466) 1.493 12.143 ( -2.222 -6.138 -4.297) 7.816 12.257 ( 1.073 -0.357 2.573) 2.810 12.394 ( -3.909 -1.444 1.005) 4.287 12.519 ( 3.774 1.543 -1.976) 4.531 12.785 ( 1.645 7.291 0.841) 7.521 15.529 ( 0.245 -1.240 -0.092) 1.267 15.552 ( -0.682 0.535 0.158) 0.882 15.559 ( 0.018 -0.340 -0.495) 0.601 16.475 ( 0.851 1.026 0.115) 1.338 16.486 ( 0.393 2.026 -0.208) 2.075 16.589 ( -0.072 0.350 0.854) 0.925 18.072 ( -0.853 -6.345 -0.669) 6.437 18.233 ( -0.056 4.036 1.381) 4.266 18.695 ( 1.912 5.541 -0.784) 5.913 18.840 ( -0.132 -0.754 0.726) 1.055 19.095 ( -0.556 -3.241 0.291) 3.301 19.100 ( -1.295 -2.343 -0.158) 2.682 ======================= Grid point 394 (124/125) ======================= q-point: ( 0.44 -0.56 0.44) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 0.000 -0.000 -3.386) 3.386 1.133 ( 0.000 -0.000 5.990) 5.990 1.133 ( 0.000 0.000 5.990) 5.990 1.366 ( 0.000 0.000 -2.206) 2.206 1.366 ( 0.000 0.000 -2.206) 2.206 1.809 ( 0.000 -0.000 -3.789) 3.789 1.818 ( 0.000 -0.000 -8.162) 8.162 1.818 ( 0.000 -0.000 -8.162) 8.162 2.204 ( 0.000 -0.000 -7.464) 7.464 2.543 ( -0.000 0.000 0.076) 0.076 2.591 ( 0.000 -0.000 6.734) 6.734 2.591 ( 0.000 -0.000 6.734) 6.734 2.921 ( 0.000 0.000 -4.234) 4.234 2.921 ( 0.000 0.000 -4.234) 4.234 3.102 ( -0.000 0.000 3.319) 3.319 3.287 ( -0.000 0.000 0.339) 0.339 3.336 ( 0.000 -0.000 -3.473) 3.473 3.449 ( 0.000 0.000 0.601) 0.601 3.449 ( 0.000 -0.000 0.601) 0.601 3.639 ( 0.000 -0.000 -2.809) 2.809 3.639 ( 0.000 -0.000 -2.809) 2.809 3.759 ( -0.000 0.000 6.458) 6.458 4.011 ( 0.000 -0.000 0.212) 0.212 4.011 ( -0.000 0.000 0.212) 0.212 4.119 ( 0.000 -0.000 -1.734) 1.734 4.871 ( 0.000 -0.000 5.390) 5.390 4.871 ( 0.000 -0.000 5.390) 5.390 5.474 ( 0.000 -0.000 -2.365) 2.365 5.474 ( 0.000 0.000 -2.365) 2.365 5.918 ( 0.000 -0.000 -0.057) 0.057 10.750 ( 0.000 -0.000 -2.903) 2.903 10.896 ( 0.000 -0.000 0.564) 0.564 10.896 ( 0.000 -0.000 0.564) 0.564 10.974 ( 0.000 0.000 -1.377) 1.377 10.974 ( 0.000 -0.000 -1.377) 1.377 11.222 ( -0.000 0.000 4.783) 4.783 11.546 ( 0.000 -0.000 -2.856) 2.856 12.177 ( 0.000 -0.000 4.569) 4.569 12.177 ( -0.000 -0.000 4.569) 4.569 12.518 ( 0.000 -0.000 -1.643) 1.643 12.518 ( 0.000 0.000 -1.643) 1.643 12.638 ( 0.000 -0.000 -1.185) 1.185 15.543 ( 0.000 -0.000 0.191) 0.191 15.543 ( 0.000 -0.000 0.191) 0.191 15.556 ( -0.000 0.000 0.787) 0.787 16.458 ( 0.000 -0.000 -0.095) 0.095 16.458 ( 0.000 -0.000 -0.095) 0.095 16.609 ( 0.000 -0.000 -1.858) 1.858 18.197 ( 0.000 0.000 -1.496) 1.496 18.197 ( 0.000 0.000 -1.496) 1.496 18.570 ( -0.000 0.000 2.378) 2.378 18.866 ( 0.000 -0.000 -1.333) 1.333 19.138 ( 0.000 0.000 -0.006) 0.006 19.138 ( -0.000 -0.000 -0.006) 0.006 ======================= Grid point 397 (125/125) ======================= q-point: (-0.44 0.44 0.44) 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 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 0.657 0.040 0.873) 1.093 1.208 ( -2.925 -2.351 6.777) 7.747 1.298 ( 4.568 4.591 5.149) 8.274 1.330 ( 3.083 3.523 -3.588) 5.898 1.364 ( 5.566 0.374 -2.270) 6.022 1.670 ( -5.727 -2.190 -4.532) 7.625 1.704 ( 0.598 -0.176 -3.896) 3.946 1.763 ( 1.852 0.795 -2.513) 3.221 2.151 ( 5.495 3.029 -2.157) 6.635 2.511 ( -5.668 -2.850 0.316) 6.352 2.691 ( 1.667 -3.013 5.496) 6.486 2.732 ( 2.071 3.880 4.547) 6.326 2.805 ( -2.990 0.147 -4.583) 5.474 2.861 ( 3.693 1.098 -5.207) 6.478 3.151 ( 0.396 0.076 1.881) 1.924 3.254 ( -2.083 -1.039 -1.677) 2.869 3.287 ( -2.050 -1.048 -0.989) 2.506 3.468 ( -0.122 -0.458 1.602) 1.671 3.478 ( 0.752 0.713 1.060) 1.483 3.588 ( -0.897 -0.461 -1.387) 1.715 3.599 ( 0.357 0.165 -2.337) 2.370 3.871 ( -0.818 -0.685 5.337) 5.442 4.010 ( -0.396 -0.082 0.043) 0.407 4.019 ( 1.338 0.901 0.227) 1.629 4.071 ( -0.040 -0.155 -3.234) 3.238 4.909 ( -3.859 -2.335 2.988) 5.411 4.934 ( -1.594 -0.813 0.736) 1.934 5.435 ( -0.923 -0.090 0.412) 1.015 5.466 ( 2.974 1.255 -1.857) 3.724 5.915 ( 0.072 0.065 -0.172) 0.197 10.717 ( 0.436 0.259 -0.990) 1.113 10.897 ( -0.694 -0.677 0.672) 1.180 10.908 ( 0.242 0.474 -0.235) 0.582 10.958 ( 0.317 -0.255 -0.475) 0.625 10.961 ( 0.433 0.639 -0.561) 0.954 11.292 ( -0.482 -0.330 2.718) 2.780 11.498 ( -0.313 -0.150 -1.951) 1.981 12.215 ( -2.483 -0.738 3.511) 4.363 12.247 ( 0.908 -0.071 -0.130) 0.920 12.468 ( -2.816 -4.977 -1.775) 5.988 12.488 ( -1.447 2.558 0.590) 2.998 12.667 ( 6.433 3.580 -0.613) 7.387 15.541 ( -0.484 -0.589 0.243) 0.800 15.548 ( 0.175 0.370 -0.048) 0.413 15.566 ( -0.251 -0.108 0.331) 0.429 16.459 ( 0.545 0.051 0.054) 0.550 16.462 ( 0.783 0.699 -0.061) 1.051 16.585 ( 0.191 0.132 -0.856) 0.887 18.156 ( -3.660 -2.128 0.171) 4.237 18.191 ( 1.714 1.016 -1.124) 2.288 18.617 ( 3.076 1.766 0.900) 3.659 18.847 ( -0.195 -0.106 -0.648) 0.685 19.130 ( -1.166 -0.940 0.147) 1.505 19.133 ( -1.039 -0.344 -0.199) 1.113 =================== 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 3/39366 10.0 212.018 212.018 156.312 0.000 -0.000 0.000 3/39366 20.0 61.728 61.728 46.537 0.000 -0.000 0.000 3/39366 30.0 29.686 29.686 22.460 0.000 -0.000 0.000 3/39366 40.0 18.781 18.781 14.225 0.000 -0.000 0.000 3/39366 50.0 13.724 13.724 10.396 0.000 -0.000 0.000 3/39366 60.0 10.877 10.877 8.239 0.000 -0.000 0.000 3/39366 70.0 9.056 9.056 6.861 0.000 -0.000 0.000 3/39366 80.0 7.786 7.786 5.900 0.000 -0.000 0.000 3/39366 90.0 6.845 6.845 5.188 0.000 -0.000 0.000 3/39366 100.0 6.116 6.116 4.637 0.000 -0.000 0.000 3/39366 110.0 5.532 5.532 4.196 0.000 -0.000 0.000 3/39366 120.0 5.053 5.053 3.833 0.000 -0.000 0.000 3/39366 130.0 4.652 4.652 3.530 0.000 -0.000 0.000 3/39366 140.0 4.311 4.311 3.272 0.000 -0.000 0.000 3/39366 150.0 4.018 4.018 3.050 0.000 -0.000 0.000 3/39366 160.0 3.762 3.762 2.857 0.000 -0.000 0.000 3/39366 170.0 3.538 3.538 2.686 0.000 -0.000 0.000 3/39366 180.0 3.339 3.339 2.535 0.000 -0.000 0.000 3/39366 190.0 3.161 3.161 2.401 0.000 -0.000 0.000 3/39366 200.0 3.002 3.002 2.280 0.000 -0.000 0.000 3/39366 210.0 2.858 2.858 2.170 0.000 -0.000 0.000 3/39366 220.0 2.727 2.727 2.071 0.000 -0.000 0.000 3/39366 230.0 2.608 2.608 1.981 0.000 -0.000 0.000 3/39366 240.0 2.499 2.499 1.898 0.000 -0.000 0.000 3/39366 250.0 2.399 2.399 1.821 0.000 -0.000 0.000 3/39366 260.0 2.306 2.306 1.751 0.000 -0.000 0.000 3/39366 270.0 2.221 2.221 1.686 0.000 -0.000 0.000 3/39366 280.0 2.141 2.141 1.626 0.000 -0.000 0.000 3/39366 290.0 2.067 2.067 1.570 0.000 -0.000 0.000 3/39366 300.0 1.999 1.999 1.517 0.000 -0.000 0.000 3/39366 310.0 1.934 1.934 1.468 0.000 -0.000 0.000 3/39366 320.0 1.874 1.874 1.423 0.000 -0.000 0.000 3/39366 330.0 1.817 1.817 1.379 0.000 -0.000 0.000 3/39366 340.0 1.764 1.764 1.339 0.000 -0.000 0.000 3/39366 350.0 1.714 1.714 1.301 0.000 -0.000 0.000 3/39366 360.0 1.666 1.666 1.265 0.000 -0.000 0.000 3/39366 370.0 1.621 1.621 1.231 0.000 -0.000 0.000 3/39366 380.0 1.579 1.579 1.198 0.000 -0.000 0.000 3/39366 390.0 1.538 1.538 1.168 0.000 -0.000 0.000 3/39366 400.0 1.500 1.500 1.139 0.000 -0.000 0.000 3/39366 410.0 1.464 1.464 1.111 0.000 -0.000 0.000 3/39366 420.0 1.429 1.429 1.085 0.000 -0.000 0.000 3/39366 430.0 1.396 1.396 1.059 0.000 -0.000 0.000 3/39366 440.0 1.364 1.364 1.035 0.000 -0.000 0.000 3/39366 450.0 1.334 1.334 1.013 0.000 -0.000 0.000 3/39366 460.0 1.305 1.305 0.991 0.000 -0.000 0.000 3/39366 470.0 1.278 1.278 0.970 0.000 -0.000 0.000 3/39366 480.0 1.251 1.251 0.950 0.000 -0.000 0.000 3/39366 490.0 1.226 1.226 0.930 0.000 -0.000 0.000 3/39366 500.0 1.201 1.201 0.912 0.000 -0.000 0.000 3/39366 510.0 1.178 1.178 0.894 0.000 -0.000 0.000 3/39366 520.0 1.155 1.155 0.877 0.000 -0.000 0.000 3/39366 530.0 1.134 1.134 0.860 0.000 -0.000 0.000 3/39366 540.0 1.113 1.113 0.845 0.000 -0.000 0.000 3/39366 550.0 1.093 1.093 0.829 0.000 -0.000 0.000 3/39366 560.0 1.073 1.073 0.815 0.000 -0.000 0.000 3/39366 570.0 1.054 1.054 0.800 0.000 -0.000 0.000 3/39366 580.0 1.036 1.036 0.787 0.000 -0.000 0.000 3/39366 590.0 1.019 1.019 0.773 0.000 -0.000 0.000 3/39366 600.0 1.002 1.002 0.761 0.000 -0.000 0.000 3/39366 610.0 0.986 0.986 0.748 0.000 -0.000 0.000 3/39366 620.0 0.970 0.970 0.736 0.000 -0.000 0.000 3/39366 630.0 0.954 0.954 0.725 0.000 -0.000 0.000 3/39366 640.0 0.940 0.940 0.713 0.000 -0.000 0.000 3/39366 650.0 0.925 0.925 0.703 0.000 -0.000 0.000 3/39366 660.0 0.911 0.911 0.692 0.000 -0.000 0.000 3/39366 670.0 0.898 0.898 0.682 0.000 -0.000 0.000 3/39366 680.0 0.885 0.885 0.672 0.000 -0.000 0.000 3/39366 690.0 0.872 0.872 0.662 0.000 -0.000 0.000 3/39366 700.0 0.859 0.859 0.653 0.000 -0.000 0.000 3/39366 710.0 0.847 0.847 0.644 0.000 -0.000 0.000 3/39366 720.0 0.836 0.836 0.635 0.000 -0.000 0.000 3/39366 730.0 0.824 0.824 0.626 0.000 -0.000 0.000 3/39366 740.0 0.813 0.813 0.618 0.000 -0.000 0.000 3/39366 750.0 0.802 0.802 0.610 0.000 -0.000 0.000 3/39366 760.0 0.792 0.792 0.602 0.000 -0.000 0.000 3/39366 770.0 0.782 0.782 0.594 0.000 -0.000 0.000 3/39366 780.0 0.772 0.772 0.586 0.000 -0.000 0.000 3/39366 790.0 0.762 0.762 0.579 0.000 -0.000 0.000 3/39366 800.0 0.753 0.753 0.572 0.000 -0.000 0.000 3/39366 810.0 0.743 0.743 0.565 0.000 -0.000 0.000 3/39366 820.0 0.734 0.734 0.558 0.000 -0.000 0.000 3/39366 830.0 0.725 0.725 0.551 0.000 -0.000 0.000 3/39366 840.0 0.717 0.717 0.545 0.000 -0.000 0.000 3/39366 850.0 0.708 0.708 0.538 0.000 -0.000 0.000 3/39366 860.0 0.700 0.700 0.532 0.000 -0.000 0.000 3/39366 870.0 0.692 0.692 0.526 0.000 -0.000 0.000 3/39366 880.0 0.684 0.684 0.520 0.000 -0.000 0.000 3/39366 890.0 0.677 0.677 0.514 0.000 -0.000 0.000 3/39366 900.0 0.669 0.669 0.509 0.000 -0.000 0.000 3/39366 910.0 0.662 0.662 0.503 0.000 -0.000 0.000 3/39366 920.0 0.655 0.655 0.498 0.000 -0.000 0.000 3/39366 930.0 0.648 0.648 0.492 0.000 -0.000 0.000 3/39366 940.0 0.641 0.641 0.487 0.000 -0.000 0.000 3/39366 950.0 0.634 0.634 0.482 0.000 -0.000 0.000 3/39366 960.0 0.628 0.628 0.477 0.000 -0.000 0.000 3/39366 970.0 0.621 0.621 0.472 0.000 -0.000 0.000 3/39366 980.0 0.615 0.615 0.468 0.000 -0.000 0.000 3/39366 990.0 0.609 0.609 0.463 0.000 -0.000 0.000 3/39366 1000.0 0.603 0.603 0.458 0.000 -0.000 0.000 3/39366 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:12:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|