# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/091061a5-672a-43a8-8eda-5d135163acec/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 NaLi3SiO4 / I4_1/a (88) / materials id 559904](https://mdr.nims.go.jp/datasets/33716879-034e-415f-9a51-07322df178c1)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 16Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 48Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 16Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 64O 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 = 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. NPAR = 4vasp-settings/POSCAR-unitcell Na Li Si O 1.0 10.7480756399999997 -0.0000000200000000 0.0000000000000000 0.0000000200000000 10.7480756399999997 0.0000000000000000 0.0000000000000000 0.0000000000000000 12.6056496199999994 Na Li Si O 16 48 16 64Direct 0.2360049800000000 0.7219967000000000 0.9696576099999999 0.2639950200000000 0.7780033000000000 0.4696576100000000 0.7219967000000000 0.7639950200000000 0.0303423900000000 0.2639950200000000 0.2780033000000000 0.7803423899999999 0.2219967000000000 0.7639950200000000 0.7196576100000001 0.7780033000000000 0.2360049800000000 0.7196576100000001 0.2780033000000000 0.2360049800000000 0.0303423900000000 0.2360049800000000 0.2219967000000000 0.2803423900000000 0.7360049799999999 0.2219967000000000 0.4696576100000000 0.7639950200000000 0.2780033000000000 0.9696576099999999 0.2219967000000000 0.2639950200000000 0.5303423900000002 0.7639950200000000 0.7780033000000000 0.2803423900000000 0.7219967000000000 0.2639950200000000 0.2196576100000000 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0.1734683300000000 0.3253988100000000 0.5829583800000000 0.6729721399999999 0.4415525400000000 0.9170416200000000 0.3270278600000000 0.3084474600000000 0.3270278600000000 0.0829583800000000 0.6915525400000000 0.1481447700000000 0.4601211300000000 0.4608911000000000 0.1729721400000000 0.9170416200000000 0.0584474600000000 0.1645673900000000 0.9052842500000000 0.3281461500000000 0.8518552300000000 0.5398788700000000 0.4608911000000000 0.4052842500000000 0.8354326100000000 0.0781461500000000 0.9601211300000000 0.8518552300000000 0.2108911000000000vasp-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 2 2 2 0.000 0.000 0.000