# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/44de27e0-574c-4ae3-800a-2566a4676a38/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 OsO4 / C2/c (15) / materials id 540783](https://mdr.nims.go.jp/datasets/e8c88875-61c6-4253-bad4-693853363213)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     1 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     2     4     3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  24</c><c>Os</c><c>    190.20000000</c><c>     14.00000000</c><c>  PAW_PBE Os_pv 20Jan2003               </c></rc>    <rc><c>  96</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>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/INCAR-nac      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.  LEPSILON = .TRUE.vasp-settings/POSCAR-unitcell Os O   1.0     9.5663782099999999    0.0000000000000000   -0.0150247000000000     0.0000000000000000    4.5948835600000004    0.0000000000000000    -3.8467908400000002    0.0000000000000000    7.7932278899999998 Os O   4  16Direct   0.5000000000000000  0.7511211300000000  0.7500000000000000   0.5000000000000000  0.2488788700000000  0.2500000000000000   0.0000000000000000  0.2511211300000000  0.7500000000000000   0.0000000000000000  0.7488788700000000  0.2500000000000000   0.8833861400000000  0.0350139800000000  0.8057493800000000   0.6166138600000000  0.5350139800000000  0.6942506200000000   0.1166138600000000  0.9649860200000000  0.1942506200000000   0.3833861400000000  0.4649860200000000  0.3057493800000000   0.3858060000000000  0.9673003600000000  0.5790428599999999   0.6141940000000000  0.9673003600000000  0.9209571400000000   0.6141940000000000  0.0326996400000000  0.4209571400000000   0.3858060000000000  0.0326996400000000  0.0790428600000000   0.3833861400000000  0.5350139800000000  0.8057493800000000   0.1166138600000000  0.0350139800000000  0.6942506200000000   0.6166138600000000  0.4649860200000000  0.1942506200000000   0.8833861400000000  0.9649860200000000  0.3057493800000000   0.8858060000000000  0.4673003600000000  0.5790428599999999   0.1141940000000000  0.4673003600000000  0.9209571400000000   0.1141940000000000  0.5326996399999999  0.4209571400000000   0.8858060000000000  0.5326996399999999  0.0790428600000000vasp-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     4     2 0.000 0.000 0.000