# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/7d89d1df-40bf-42f5-b0ca-3137b3176f23/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 Rb2LiInCl6 / Fm-3m (225) / materials id 989583](https://mdr.nims.go.jp/datasets/82abcbb5-13d8-4558-b26e-6564b89e30ca)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>   8</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </c></rc>    <rc><c>   4</c><c>Li</c><c>      7.01000000</c><c>      3.00000000</c><c>  PAW_PBE Li_sv 10Sep2004               </c></rc>    <rc><c>   4</c><c>In</c><c>    114.82000000</c><c>     13.00000000</c><c>  PAW_PBE In_d 06Sep2000                </c></rc>    <rc><c>  24</c><c>Cl</c><c>     35.45300000</c><c>      7.00000000</c><c>  PAW_PBE Cl 06Sep2000                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 648.744200     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 Li In Cl   1.0    10.1055923900000000    0.0000000000000000    0.0000000000000000     0.0000000000000000   10.1055923900000000    0.0000000000000000     0.0000000000000000    0.0000000000000000   10.1055923900000000 Rb Li In Cl   8   4   4  24Direct   0.2500000000000000  0.2500000000000000  0.7500000000000000   0.2500000000000000  0.2500000000000000  0.2500000000000000   0.2500000000000000  0.7500000000000000  0.2500000000000000   0.2500000000000000  0.7500000000000000  0.7500000000000000   0.7500000000000000  0.2500000000000000  0.2500000000000000   0.7500000000000000  0.2500000000000000  0.7500000000000000   0.7500000000000000  0.7500000000000000  0.7500000000000000   0.7500000000000000  0.7500000000000000  0.2500000000000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.5000000000000000   0.5000000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.0000000000000000   0.0000000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.5000000000000000   0.5000000000000000  0.0000000000000000  0.0000000000000000   0.2485517800000000  0.5000000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.7514482200000000   0.0000000000000000  0.5000000000000000  0.2485517800000000   0.0000000000000000  0.2514482200000000  0.0000000000000000   0.5000000000000000  0.2485517800000000  0.0000000000000000   0.7514482200000000  0.5000000000000000  0.0000000000000000   0.2485517800000000  0.0000000000000000  0.5000000000000000   0.0000000000000000  0.0000000000000000  0.2514482200000000   0.0000000000000000  0.0000000000000000  0.7485517800000000   0.0000000000000000  0.7514482200000000  0.5000000000000000   0.5000000000000000  0.7485517800000000  0.5000000000000000   0.7514482200000000  0.0000000000000000  0.5000000000000000   0.7485517800000000  0.5000000000000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.2514482200000000   0.5000000000000000  0.5000000000000000  0.7485517800000000   0.5000000000000000  0.2514482200000000  0.5000000000000000   0.0000000000000000  0.2485517800000000  0.5000000000000000   0.2514482200000000  0.5000000000000000  0.5000000000000000   0.7485517800000000  0.0000000000000000  0.0000000000000000   0.5000000000000000  0.0000000000000000  0.7514482200000000   0.5000000000000000  0.0000000000000000  0.2485517800000000   0.5000000000000000  0.7514482200000000  0.0000000000000000   0.0000000000000000  0.7485517800000000  0.0000000000000000   0.2514482200000000  0.0000000000000000  0.0000000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 648.744200     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