# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/20f1f49b-0597-4d8d-81ee-334d9a6526f9/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 RbBiF4 / Fd-3m (227) / materials id 615746](https://mdr.nims.go.jp/datasets/c1e9eb09-ea72-4d55-9ee1-de84b1ca7f68)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  16</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </c></rc>    <rc><c>  16</c><c>Bi</c><c>    208.98000000</c><c>      5.00000000</c><c>  PAW_PBE Bi 08Apr2002                  </c></rc>    <rc><c>  64</c><c>F </c><c>     18.99800000</c><c>      7.00000000</c><c>  PAW_PBE F 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/POSCAR-unitcell Rb Bi F   1.0    11.9122101300000001    0.0000000000000000    0.0000000000000000     0.0000000000000000   11.9122101300000001    0.0000000000000000     0.0000000000000000    0.0000000000000000   11.9122101300000001 Rb Bi F  16  16  64Direct   0.8750000000000000  0.6250000000000000  0.8750000000000000   0.8750000000000000  0.8750000000000000  0.6250000000000000   0.6250000000000000  0.8750000000000000  0.8750000000000000   0.6250000000000000  0.6250000000000000  0.6250000000000000   0.8750000000000000  0.1250000000000000  0.3750000000000000   0.8750000000000000  0.3750000000000000  0.1250000000000000   0.6250000000000000  0.3750000000000000  0.3750000000000000   0.6250000000000000  0.1250000000000000  0.1250000000000000   0.3750000000000000  0.6250000000000000  0.3750000000000000   0.3750000000000000  0.8750000000000000  0.1250000000000000   0.1250000000000000  0.8750000000000000  0.3750000000000000   0.1250000000000000  0.6250000000000000  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0.9629730300000000  0.7500000000000000   0.0000000000000000  0.0000000000000000  0.7870269700000000   0.2500000000000000  0.7500000000000000  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     2     2 0.000 0.000 0.000