# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/63e5632e-6d14-464e-9228-503f33c0f6cd/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 RbO / Immm (71) / materials id 7895](https://mdr.nims.go.jp/datasets/c84d8e7b-3601-4ffb-bea7-e4d29599a14c)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     1 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     5     3     3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  72</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>    <rc><c>  72</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </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 O Rb   1.0     4.2142947099999999    0.0000000000000000    0.0000000000000000     0.0000000000000000    5.9687225200000000    0.0000000000000000     0.0000000000000000    0.0000000000000000    7.0906621500000000 O Rb   4   4Direct   0.5000000000000000  0.3740446400000000  0.5000000000000000   0.5000000000000000  0.6259553600000001  0.5000000000000000   0.0000000000000000  0.8740446400000000  0.0000000000000000   0.0000000000000000  0.1259553600000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.2569421600000000   0.0000000000000000  0.5000000000000000  0.7430578400000001   0.5000000000000000  0.0000000000000000  0.7569421600000000   0.5000000000000000  0.0000000000000000  0.2430578400000000vasp-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     5     3     3 0.000 0.000 0.000