# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/4cd648b7-7780-4606-be05-c85b537fa006/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 RbTe / Pbam (55) / materials id 8360](https://mdr.nims.go.jp/datasets/bb67cabf-1f14-4430-80db-1c7267759105)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     3     2     4 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  72</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </c></rc>    <rc><c>  72</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 = 227.476600     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 = 227.476600     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 Te   1.0     5.7293219899999999    0.0000000000000000    0.0000000000000000     0.0000000000000000   10.9616267100000009    0.0000000000000000     0.0000000000000000    0.0000000000000000    4.8746692400000002 Rb Te   4   4Direct   0.6732164700000001  0.8661872400000000  0.5000000000000000   0.3267835300000000  0.1338127600000000  0.5000000000000000   0.1732164700000000  0.6338127600000000  0.5000000000000000   0.8267835299999999  0.3661872400000000  0.5000000000000000   0.1441175200000000  0.8942497900000000  0.0000000000000000   0.8558824800000000  0.1057502100000000  0.0000000000000000   0.6441175200000000  0.6057502100000001  0.0000000000000000   0.3558824800000000  0.3942497900000000  0.0000000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 227.476600     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     3     2     4 0.000 0.000 0.000