# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/096f4b14-6391-4a96-aa77-a059b0303904/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 RbSnI3 / Pnma (62) / materials id 29405](https://mdr.nims.go.jp/datasets/769f629d-4700-4267-9ad1-5d27f3050e7a)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     2     4     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  24</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </c></rc>    <rc><c>  24</c><c>Sn</c><c>    118.71000000</c><c>     14.00000000</c><c>  PAW_PBE Sn_d 06Sep2000                </c></rc>    <rc><c>  72</c><c>I </c><c>    126.90400000</c><c>      7.00000000</c><c>  PAW_PBE I 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/INCAR-nac      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.  LEPSILON = .TRUE.vasp-settings/POSCAR-unitcell Rb Sn I   1.0    10.2373186999999994    0.0000000000000000    0.0000000000000000     0.0000000000000000    4.6529272500000003    0.0000000000000000     0.0000000000000000    0.0000000000000000   17.1238648500000004 Rb Sn I   4   4  12Direct   0.5790818099999999  0.2500000000000000  0.8273946900000000   0.0790818100000000  0.2500000000000000  0.6726053100000000   0.4209181900000000  0.7500000000000000  0.1726053100000000   0.9209181900000000  0.7500000000000000  0.3273946900000000   0.1613794700000000  0.7500000000000000  0.9403299400000000   0.3386205300000000  0.2500000000000000  0.4403299400000000   0.8386205300000000  0.2500000000000000  0.0596700600000000   0.6613794700000000  0.7500000000000000  0.5596700600000000   0.7017975599999999  0.2500000000000000  0.2152271800000000   0.4710127900000000  0.2500000000000000  0.6161531499999999   0.5289872099999999  0.7500000000000000  0.3838468500000000   0.9710127900000000  0.2500000000000000  0.8838468500000000   0.1580435200000000  0.7500000000000000  0.5036259300000000   0.8419564800000000  0.2500000000000000  0.4963740700000000   0.6580435200000000  0.7500000000000000  0.9963740700000000   0.3419564800000000  0.2500000000000000  0.0036259300000000   0.2982024400000000  0.7500000000000000  0.7847728200000000   0.2017975600000000  0.2500000000000000  0.2847728200000000   0.7982024400000001  0.7500000000000000  0.7152271800000001   0.0289872100000000  0.7500000000000000  0.1161531500000000vasp-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     4     1 0.000 0.000 0.000