# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/7e3b47d4-6964-4791-91d1-52276f20e9d8/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 Na2CaH10C2O11 / C2/c (15) / materials id 24229](https://mdr.nims.go.jp/datasets/e5b85da9-3cf9-4950-b11e-9baf4474d355)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 3 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 40H 1.00000000 1.00000000 PAW_PBE H 15Jun2001 8C 12.01100000 4.00000000 PAW_PBE C 08Apr2002 44O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 8Na 22.99000000 7.00000000 PAW_PBE Na_pv 19Sep2006 4Ca 40.07800000 8.00000000 PAW_PBE Ca_pv 06Sep2000 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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0.9832266000000000 0.0000000000000000 0.8050351800000000 0.7500000000000000 0.0000000000000000 0.1949648200000000 0.2500000000000000 0.5000000000000000 0.3050351800000000 0.7500000000000000 0.5000000000000000 0.6949648200000000 0.2500000000000000vasp-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 2 0.000 0.000 0.000