# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/dc56b96d-3d75-49be-ab6f-1e18d881aaf6/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 SrLi(B3O5)3 / R3c (161) / materials id 18495](https://mdr.nims.go.jp/datasets/a2a14389-d547-49de-96fb-6fe01e7f6782)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 6Li 7.01000000 3.00000000 PAW_PBE Li_sv 10Sep2004 54B 10.81100000 3.00000000 PAW_PBE B 06Sep2000 90O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 6Sr 87.62000000 10.00000000 PAW_PBE Sr_sv 07Sep2000 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 Li B O Sr 1.0 10.5915262000000006 0.0000000000000000 0.0000000000000000 -5.2957631000000003 9.1725307699999998 0.0000000000000000 0.0000000000000000 0.0000000000000000 17.7316583200000011 Li B O Sr 6 54 90 6Direct 0.3333333300000000 0.6666666700000000 0.8942443700000000 0.3333333300000000 0.6666666700000000 0.3942443700000000 0.0000000000000000 0.0000000000000000 0.2275777000000000 0.0000000000000000 0.0000000000000000 0.7275777000000000 0.6666666700000000 0.3333333300000000 0.5609110300000000 0.6666666700000000 0.3333333300000000 0.0609110300000000 0.4594373500000000 0.3949074300000000 0.1668543300000000 0.4395434800000000 0.9973857100000000 0.2735480600000000 0.2245089100000000 0.3307190400000000 0.1068814000000000 0.1062101500000000 0.7754910900000000 0.1068814000000000 0.2717592400000000 0.8738959800000000 0.0001876600000000 0.6021367399999999 0.7282407600000000 0.0001876600000000 0.1261040200000000 0.3978632600000000 0.0001876600000000 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0.6617959200000000 0.0000000000000000 0.0000000000000000 0.4951292500000000 0.0000000000000000 0.0000000000000000 0.9951292500000000 0.6666666700000000 0.3333333300000000 0.8284625800000001 0.6666666700000000 0.3333333300000000 0.3284625800000000vasp-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 1 0.000 0.000 0.000