# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/24fdcc27-5763-4e3c-9d24-4af081978133/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 NaGe2(PO4)3 / R-3 (148) / materials id 542919](https://mdr.nims.go.jp/datasets/8d403929-0559-4622-a6b6-1fef04d74e03)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 6Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 12Ge 72.61000000 14.00000000 PAW_PBE Ge_d 03Jul2007 18P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 72O 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 Na Ge P O 1.0 8.1391025700000004 0.0000000000000000 0.0000000000000000 -4.0695512899999997 7.0486695800000003 0.0000000000000000 0.0000000000000000 0.0000000000000000 21.6425412299999991 Na Ge P O 6 12 18 72Direct 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.3333333300000000 0.6666666700000000 0.1666666700000000 0.6666666700000000 0.3333333300000000 0.3333333300000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.3333333300000000 0.6666666700000000 0.6666666700000000 0.6666666700000000 0.3333333300000000 0.8333333300000000 0.3333333300000000 0.6666666700000000 0.3144886400000000 0.3333333300000000 0.6666666700000000 0.0188446900000000 0.6666666700000000 0.3333333300000000 0.1895297000000000 0.0000000000000000 0.0000000000000000 0.1438036400000000 0.0000000000000000 0.0000000000000000 0.6478219700000001 0.0000000000000000 0.0000000000000000 0.3521780300000000 0.3333333300000000 0.6666666700000000 0.5228630300000000 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0.6952053300000001 0.7828599500000000 0.8564414400000000 0.6952053300000001 0.0735814900000000 0.2171400500000000 0.6952053300000001 0.1349640300000000 0.6543812900000000 0.8559757700000000 0.5194172600000000 0.8650359700000000 0.8559757700000000 0.3456187100000000 0.4805827400000000 0.8559757700000000 0.1983693000000000 0.0122853800000000 0.8106909000000000 0.8139160800000000 0.8016307000000000 0.8106909000000000 0.9877146200000000 0.1860839200000000 0.8106909000000000vasp-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