# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/cf7bcebe-208e-426a-8c8c-fc3c91f4a4c1/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 Ge7H8N2O15 / C2/c (15) / materials id 867528](https://mdr.nims.go.jp/datasets/8e658476-bd22-4abd-b775-b045d3aa526f)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 3 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 28Ge 72.61000000 14.00000000 PAW_PBE Ge_d 03Jul2007 32H 1.00000000 1.00000000 PAW_PBE H 15Jun2001 8N 14.00100000 5.00000000 PAW_PBE N 08Apr2002 60O 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. 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0.6961499500000000 0.6722906600000000 0.6004589200000000 0.5538684000000000 0.0309514400000000 0.1171882900000000 0.7241324200000000 0.5082813600000000 0.7739948600000000 0.7691740900000000 0.4951530700000000 0.9701186400000000 0.6575142000000000 0.2909982800000000 0.6147981200000000 0.6065021100000000 0.7339484300000000 0.4304889200000000 0.0000000000000000 0.2784645700000000 0.2500000000000000 0.6276976800000000 0.9190371200000000 0.8337796100000000 0.5538684000000000 0.9690485599999999 0.6171882900000000 0.6065021100000000 0.2660515700000000 0.9304889199999999 0.0000000000000000 0.7215354300000000 0.7500000000000000vasp-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 2 3 1 0.000 0.000 0.000