# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/9ee7a563-60d5-4910-9711-dfd8a6938e36/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 Rb2SnTe5 / I4/mcm (140) / materials id 28520](https://mdr.nims.go.jp/datasets/1f8f0212-157b-4ee5-9022-379eac246f22)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</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>Sn</c><c>    118.71000000</c><c>     14.00000000</c><c>  PAW_PBE Sn_d 06Sep2000                </c></rc>    <rc><c>  80</c><c>Te</c><c>    127.60000000</c><c>      6.00000000</c><c>  PAW_PBE Te 08Apr2002                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 313.407900     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 Sn Te   1.0     8.6260495600000002    0.0000000000000000    0.0000000000000000     0.0000000000000000    8.6260495600000002    0.0000000000000000     0.0000000000000000    0.0000000000000000   15.4917725599999994 Rb Sn Te   8   4  20Direct   0.0000000000000000  0.0000000000000000  0.2500000000000000   0.5000000000000000  0.5000000000000000  0.2500000000000000   0.5000000000000000  0.5000000000000000  0.5000000000000000   0.0000000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.7500000000000000   0.0000000000000000  0.0000000000000000  0.7500000000000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.5000000000000000  0.5000000000000000  0.0000000000000000   0.5000000000000000  0.0000000000000000  0.2500000000000000   0.0000000000000000  0.5000000000000000  0.2500000000000000   0.0000000000000000  0.5000000000000000  0.7500000000000000   0.5000000000000000  0.0000000000000000  0.7500000000000000   0.3222582300000000  0.8222582300000000  0.1366844900000000   0.1777417700000000  0.3222582300000000  0.1366844900000000   0.8222582300000000  0.6777417700000000  0.1366844900000000   0.6777417700000000  0.1777417700000000  0.1366844900000000   0.8222582300000000  0.3222582300000000  0.3633155100000000   0.6777417700000000  0.8222582300000000  0.3633155100000000   0.3222582300000000  0.1777417700000000  0.3633155100000000   0.1777417700000000  0.6777417700000000  0.3633155100000000   0.0000000000000000  0.5000000000000000  0.5000000000000000   0.5000000000000000  0.0000000000000000  0.5000000000000000   0.8222582300000000  0.3222582300000000  0.6366844899999999   0.6777417700000000  0.8222582300000000  0.6366844899999999   0.3222582300000000  0.1777417700000000  0.6366844899999999   0.1777417700000000  0.6777417700000000  0.6366844899999999   0.3222582300000000  0.8222582300000000  0.8633155100000001   0.1777417700000000  0.3222582300000000  0.8633155100000001   0.8222582300000000  0.6777417700000000  0.8633155100000001   0.6777417700000000  0.1777417700000000  0.8633155100000001   0.5000000000000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.0000000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 313.407900     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     1 0.000 0.000 0.000