# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/eed100eb-8163-404c-9577-8333d3e22076/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 KGe2(PO4)3 / R-3 (148) / materials id 18203](https://mdr.nims.go.jp/datasets/0471a9e2-0734-4f90-bc61-db219a9cd084)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 72O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 18P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 6K 39.09800000 7.00000000 PAW_PBE K_pv 17Jan2003 12Ge 72.61000000 14.00000000 PAW_PBE Ge_d 03Jul2007 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 O P K Ge 1.0 8.0324140300000000 0.0000000200000000 0.0000000000000000 -4.0162070300000003 6.9562745899999996 0.0000000000000000 0.0000000000000000 0.0000000000000000 22.7356453199999997 O P K Ge 72 18 6 12Direct 0.1982292200000000 0.7443836100000000 0.2690432300000000 0.2556163900000000 0.4538456100000000 0.2690432300000000 0.5461543900000000 0.8017707800000000 0.2690432300000000 0.4684374400000000 0.5889497200000000 0.0642901000000000 0.4110502800000000 0.8794877200000000 0.0642901000000000 0.1205122800000000 0.5315625600000000 0.0642901000000000 0.1709676800000000 0.9785216600000000 0.0950236900000000 0.0214783400000000 0.1924460100000000 0.0950236900000000 0.8075539899999999 0.8290323200000000 0.0950236900000000 0.4956989900000000 0.3548116700000000 0.2383096400000000 0.6451883300000000 0.1408873200000000 0.2383096400000000 0.8591126800000000 0.5043010100000000 0.2383096400000000 0.6282057400000001 0.5040764500000000 0.1404252000000000 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0.3196150900000000 0.6666666700000000 0.3333333300000000 0.4809370600000000 0.3333333300000000 0.6666666700000000 0.5190629400000000 0.0000000000000000 0.0000000000000000 0.3470515800000000 0.0000000000000000 0.0000000000000000 0.6529484200000000 0.3333333300000000 0.6666666700000000 0.8142704000000001 0.0000000000000000 0.0000000000000000 0.8523962700000001 0.6666666700000000 0.3333333300000000 0.6803849100000000 0.6666666700000000 0.3333333300000000 0.9862817600000000vasp-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 3 3 1 0.000 0.000 0.000