# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/32c1a3fd-7e1d-4ee4-bcce-9ebd4302b9d3/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 KYF4 / P3_1 (144) / materials id 28726](https://mdr.nims.go.jp/datasets/2bb25a39-5a4c-4709-8c5b-8c7d46620723)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 72F 18.99800000 7.00000000 PAW_PBE F 08Apr2002 18K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 18Y 88.90600000 11.00000000 PAW_PBE Y_sv 25May2007 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 F K Y 1.0 14.0326751000000005 -0.0000001000000000 0.0000000000000000 -7.0163374699999999 12.1526531700000007 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.1770945299999998 F K Y 72 18 18Direct 0.8633820400000000 0.4672916500000000 0.1159497900000000 0.5327083500000001 0.3960903900000000 0.4492831300000000 0.6039096100000000 0.1366179600000000 0.7826164600000001 0.8573024200000000 0.4027478900000000 0.5397612400000000 0.5972521100000000 0.4545545500000000 0.8730945700000000 0.5454454500000000 0.1426975800000000 0.2064279100000000 0.2844539500000000 0.5455234000000000 0.4664753300000000 0.4544766000000000 0.7389305500000001 0.7998086600000001 0.2610694500000000 0.7155460499999999 0.1331419900000000 0.2699849200000000 0.6657723500000000 0.6550168300000000 0.3342276500000000 0.6042126100000000 0.9883501600000000 0.3957873900000000 0.7300150800000000 0.3216834900000000 0.1996132800000000 0.0685573400000000 0.5565871300000000 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0.3262582900000000 0.7242496199999999 0.2744634900000000 0.6595916300000000 0.7255365100000000 0.4497861300000000 0.9929249600000000 0.5745677600000000 0.7864010900000000 0.3253206200000000 0.2135989100000000 0.7881666800000000 0.6586539600000000 0.2118333200000000 0.4254322400000000 0.9919872900000000 0.8842790600000000 0.9377133700000000 0.3473231200000000 0.0622866300000000 0.9465657000000000 0.6806564500000001 0.0534343000000000 0.1157209400000000 0.0139897900000000vasp-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 2 0.000 0.000 0.000