# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/faab5d31-1794-4b34-b177-80cf7b9bf11d/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 LiZr2(PO4)3 / R-3c (167) / materials id 541661](https://mdr.nims.go.jp/datasets/2dc690e9-2757-4187-9cea-4c0be0a43c84)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12Zr 91.22400000 12.00000000 PAW_PBE Zr_sv 04Jan2005 18P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 72O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 6Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 648.744200 EDIFF = 1.000000e-08 EDIFFG = -1.000000e-08 ISMEAR = 0 SIGMA = 1.000000e-02 IALGO = 38 LREAL = .FALSE. ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. 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0.9129711500000000 0.6461920900000000 0.5027689900000001 0.9129711500000000 0.4972310100000000 0.1434231200000000 0.9129711500000000 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 0.8333333300000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 648.744200 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