# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d4c488d8-7d59-42f7-abf9-cfe0ed21ff46/download)
## Creator
[Atsushi Togo](https://orcid.org/0000-0001-8393-9766)
## Rights
Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)
## Other metadata
[Ab-initio phonon calculation for SmY15O24 / C2 (5) / materials id 757791](https://mdr.nims.go.jp/datasets/32ec9b52-07b3-41d9-9fd5-0240dd48f4a6)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 2Sm 150.36000000 11.00000000 PAW_PBE Sm_3 07Sep2000 30Y 88.90600000 11.00000000 PAW_PBE Y_sv 25May2007 48O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 520.000000 EDIFF = 1.000000e-08 EDIFFG = -1.000000e-08 ISMEAR = 0 SIGMA = 1.000000e-02 IALGO = 38 LREAL = .FALSE. ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. NPAR = 4vasp-settings/POSCAR-unitcell Sm Y O 1.0 14.9160096200000005 0.0000000000000000 -0.0002938100000000 0.0000000000000000 10.5654266600000000 0.0000000000000000 -7.4556961499999996 0.0000000000000000 7.4763637899999997 Sm Y O 2 30 48Direct 0.0000000000000000 0.9683998700000001 0.5000000000000000 0.5000000000000000 0.4683998700000000 0.5000000000000000 0.5000000000000000 0.5325496100000000 0.0000000000000000 0.2506672600000000 0.7491370900000001 0.7510285600000000 0.0325994000000000 0.2510825100000000 0.7834969800000000 0.4674006000000000 0.7510825100000000 0.2165030200000000 0.2490486300000000 0.5006184299999998 0.0310097100000000 0.7496500600000000 0.9997784900000000 0.5329123400000000 0.7493327400000001 0.7491370900000001 0.2489714400000000 0.2489310300000000 0.7512413200000000 0.2479514800000000 0.2510689700000000 0.2512413200000000 0.7520485200000000 0.5000000000000000 0.9670771900000000 0.5000000000000000 0.0000000000000000 0.5328822000000000 0.0000000000000000 0.2503499400000000 0.9997784900000000 0.4670876600000000 0.7509513700000000 0.5006184299999998 0.9689902900000000 0.0333711400000000 0.7491188600000001 0.2828769600000000 0.4666288600000000 0.2491188600000000 0.7171230399999999 0.0000000000000000 0.0325496100000000 0.0000000000000000 0.7506672599999999 0.2491370900000000 0.7510285600000000 0.5325993999999998 0.7510825100000000 0.7834969800000000 0.9674006000000001 0.2510825100000000 0.2165030200000000 0.7490486300000000 0.0006184300000000 0.0310097100000000 0.2496500600000000 0.4997784900000000 0.5329123400000000 0.2493327400000000 0.2491370900000000 0.2489714400000000 0.7489310300000001 0.2512413200000000 0.2479514800000000 0.7510689699999999 0.7512413200000000 0.7520485200000000 0.0000000000000000 0.4670771900000000 0.5000000000000000 0.5000000000000000 0.0328822000000000 0.0000000000000000 0.7503499400000000 0.4997784900000000 0.4670876600000000 0.2509513700000000 0.0006184300000000 0.9689902900000000 0.5333711400000001 0.2491188600000000 0.2828769600000000 0.9666288600000000 0.7491188600000001 0.7171230399999999 0.1510239200000000 0.3919373800000000 0.7808585900000000 0.3488787100000000 0.6093294400000000 0.9783091000000000 0.1222770400000000 0.8473513400000000 0.7660711099999999 0.6199962000000000 0.6508771500000000 0.2607647400000000 0.6203244500000000 0.8480747300000000 0.4801942200000000 0.1189430100000000 0.6511135500000000 0.9787608600000000 0.3489760800000000 0.8919373800000000 0.2191414100000000 0.1511212900000000 0.1093294400000000 0.0216909000000000 0.8909840700000000 0.8799699100000000 0.7924895000000001 0.3879353600000000 0.6233031499999999 0.2867377100000000 0.1092768400000000 0.3798634100000000 0.0111476300000000 0.6093994000000000 0.1198826100000000 0.5110718800000000 0.1090159300000000 0.8799699100000000 0.2075105000000000 0.3906006000000000 0.1198826100000000 0.4889281200000000 0.6120646400000000 0.6233031499999999 0.7132622900000001 0.8907231600000000 0.3798634100000000 0.9888523700000000 0.1523889400000000 0.6092039000000000 0.2819326800000000 0.3459824200000000 0.3876638000000000 0.4773977800000000 0.3796755500000000 0.8480747300000000 0.5198057800000000 0.8810569900000000 0.6511135500000000 0.0212391400000000 0.8777229600000001 0.8473513400000000 0.2339288900000000 0.3800038000000000 0.6508771500000000 0.7392352600000001 0.3476110600000000 0.1092039000000000 0.7180673200000001 0.1540175800000000 0.8876638000000000 0.5226022200000000 0.6510239200000000 0.8919373800000000 0.7808585900000000 0.8488787100000000 0.1093294400000000 0.9783091000000000 0.6222770399999999 0.3473513400000000 0.7660711099999999 0.1199962000000000 0.1508771500000000 0.2607647400000000 0.1203244500000000 0.3480747300000000 0.4801942200000000 0.6189430100000000 0.1511135500000000 0.9787608600000000 0.8489760800000000 0.3919373800000000 0.2191414100000000 0.6511212900000001 0.6093294400000000 0.0216909000000000 0.3909840700000000 0.3799699100000000 0.7924895000000001 0.8879353600000000 0.1233031500000000 0.2867377100000000 0.6092768399999999 0.8798634100000000 0.0111476300000000 0.1093994000000000 0.6198826100000000 0.5110718800000000 0.6090159300000000 0.3799699100000000 0.2075105000000000 0.8906006000000000 0.6198826100000000 0.4889281200000000 0.1120646400000000 0.1233031500000000 0.7132622900000001 0.3907231600000000 0.8798634100000000 0.9888523700000000 0.6523889400000000 0.1092039000000000 0.2819326800000000 0.8459824200000000 0.8876638000000000 0.4773977800000000 0.8796755500000000 0.3480747300000000 0.5198057800000000 0.3810569900000000 0.1511135500000000 0.0212391400000000 0.3777229600000000 0.3473513400000000 0.2339288900000000 0.8800038000000000 0.1508771500000000 0.7392352600000001 0.8476110600000000 0.6092039000000000 0.7180673200000001 0.6540175800000000 0.3876638000000000 0.5226022200000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 520.000000 EDIFF = 1.000000e-08 ISMEAR = 0 SIGMA = 1.000000e-02 IALGO = 38 LREAL = .FALSE. ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. NPAR = 4vasp-settings/KPOINTS-relaxAutomatic mesh0Gamma 2 2 3 0.000 0.000 0.000