# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/5baf6a74-4ef5-4440-a6f5-2a2b2aaeb599/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 Ga2(SO4)3 / R-3 (148) / materials id 541451](https://mdr.nims.go.jp/datasets/f4c317ba-87da-481e-ac64-4040babc78bb)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 3 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 12Ga 69.72300000 13.00000000 PAW_PBE Ga_d 06Jul2010 18S 32.06600000 6.00000000 PAW_PBE S 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 Ga S O 1.0 8.0958915900000008 0.0000000000000000 0.0000000000000000 -4.0479457999999999 7.0112477799999997 0.0000000000000000 0.0000000000000000 0.0000000000000000 22.0547607100000000 Ga S O 12 18 72Direct 0.0000000000000000 0.0000000000000000 0.1441929200000000 0.6666666700000000 0.3333333300000000 0.1891404100000000 0.3333333300000000 0.6666666700000000 0.0153143800000000 0.3333333300000000 0.6666666700000000 0.3180189600000000 0.6666666700000000 0.3333333300000000 0.4775262600000000 0.3333333300000000 0.6666666700000000 0.5224737400000000 0.0000000000000000 0.0000000000000000 0.3486477100000000 0.0000000000000000 0.0000000000000000 0.6513522899999999 0.3333333300000000 0.6666666700000000 0.8108595900000000 0.0000000000000000 0.0000000000000000 0.8558070799999999 0.6666666700000000 0.3333333300000000 0.6819810399999999 0.6666666700000000 0.3333333300000000 0.9846856200000000 0.9565758599999999 0.6249726099999999 0.0827252000000000 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0.9104137000000000 0.8326686200000000 0.7929237700000000 0.9104137000000000 0.2070762300000000 0.0397448500000000 0.9104137000000000vasp-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