# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/97915c5a-d5ff-4a31-a4fc-92f4cf92e4ad/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 SnF3 / Fm-3m (225) / materials id 8289](https://mdr.nims.go.jp/datasets/a7839bfd-ed69-4941-9b04-6614a777bd20)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  24</c><c>F </c><c>     18.99800000</c><c>      7.00000000</c><c>  PAW_PBE F 08Apr2002                   </c></rc>    <rc><c>   8</c><c>Sn</c><c>    118.71000000</c><c>     14.00000000</c><c>  PAW_PBE Sn_d 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/POSCAR-unitcell F Sn   1.0     8.6860883900000001    0.0000000000000000    0.0000000000000000     0.0000000000000000    8.6860883900000001    0.0000000000000000     0.0000000000000000    0.0000000000000000    8.6860883900000001 F Sn  24   8Direct   0.7295966199999999  0.5000000000000000  0.5000000000000000   0.5000000000000000  0.2704033800000000  0.5000000000000000   0.2704033800000000  0.5000000000000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.7295966199999999   0.5000000000000000  0.5000000000000000  0.2704033800000000   0.5000000000000000  0.2295966200000000  0.0000000000000000   0.7295966199999999  0.0000000000000000  0.0000000000000000   0.5000000000000000  0.7704033800000000  0.0000000000000000   0.2704033800000000  0.0000000000000000  0.0000000000000000   0.5000000000000000  0.0000000000000000  0.2295966200000000   0.5000000000000000  0.0000000000000000  0.7704033800000000   0.5000000000000000  0.7295966199999999  0.5000000000000000   0.2295966200000000  0.5000000000000000  0.0000000000000000   0.0000000000000000  0.2704033800000000  0.0000000000000000   0.7704033800000000  0.5000000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.2295966200000000   0.0000000000000000  0.5000000000000000  0.7704033800000000   0.0000000000000000  0.2295966200000000  0.5000000000000000   0.2295966200000000  0.0000000000000000  0.5000000000000000   0.0000000000000000  0.7704033800000000  0.5000000000000000   0.7704033800000000  0.0000000000000000  0.5000000000000000   0.0000000000000000  0.0000000000000000  0.7295966199999999   0.0000000000000000  0.0000000000000000  0.2704033800000000   0.0000000000000000  0.7295966199999999  0.0000000000000000   0.5000000000000000  0.5000000000000000  0.5000000000000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.5000000000000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.5000000000000000   0.0000000000000000  0.5000000000000000  0.0000000000000000   0.5000000000000000  0.0000000000000000  0.5000000000000000   0.0000000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.0000000000000000vasp-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