# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/87955a1a-b810-4043-aed7-31e85be6a745/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 Sr(H9O5)2 / P4/ncc (130) / materials id 24312](https://mdr.nims.go.jp/datasets/3a9f5919-7a54-491d-b3d4-12425bbde7c7)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 2 2 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 72H 1.00000000 1.00000000 PAW_PBE H 15Jun2001 40O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 4Sr 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 = 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 H O Sr 1.0 8.8681132100000006 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8681132100000006 0.0000000000000000 0.0000000000000000 0.0000000000000000 11.1237087300000006 H O Sr 72 40 4Direct 0.7116178000000000 0.5965646300000000 0.4692813200000000 0.2883822000000000 0.4034353700000000 0.4692813200000000 0.5965646300000000 0.7116178000000000 0.0307186800000000 0.0965646300000000 0.7883822000000000 0.4692813200000000 0.9034353700000000 0.2116178000000000 0.4692813200000000 0.7883822000000000 0.0965646300000000 0.0307186800000000 0.2116178000000000 0.9034353700000000 0.0307186800000000 0.4034353700000000 0.2883822000000000 0.0307186800000000 0.7883822000000000 0.9034353700000000 0.5307186800000000 0.2116178000000000 0.0965646300000000 0.5307186800000000 0.9034353700000000 0.7883822000000000 0.9692813200000000 0.4034353700000000 0.7116178000000000 0.5307186800000000 0.5965646300000000 0.2883822000000000 0.5307186800000000 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0.3799835700000000 0.6014488300000000 0.2777635300000000 0.3799835700000000 0.7222364700000000 0.3985511700000000 0.1200164300000000 0.2777635300000000 0.6014488300000000 0.1200164300000000 0.1014488300000000 0.2222364700000000 0.1200164300000000 0.0000000000000000 0.5000000000000000 0.8447596800000000 0.5000000000000000 0.0000000000000000 0.6552403200000000 0.5000000000000000 0.0000000000000000 0.1552403200000000 0.0000000000000000 0.5000000000000000 0.3447596800000000 0.0000000000000000 0.5000000000000000 0.5999953700000000 0.5000000000000000 0.0000000000000000 0.9000046300000000 0.5000000000000000 0.0000000000000000 0.4000046300000000 0.0000000000000000 0.5000000000000000 0.0999953700000000 0.0000000000000000 0.0000000000000000 0.7500000000000000 0.5000000000000000 0.5000000000000000 0.7500000000000000 0.5000000000000000 0.5000000000000000 0.2500000000000000 0.0000000000000000 0.0000000000000000 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 2 2 0.000 0.000 0.000