# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/e09d85d5-7e89-44c3-95ee-03db17f7fe53/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 / P-62m (189) / materials id 9064](https://mdr.nims.go.jp/datasets/98133e0b-c61e-4db8-9add-12f30c1b2afd)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     2     2     3 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    10.0617616800000000    0.0000000000000000   -0.0000000000000000    -5.0308808400000000    8.7137412300000001   -0.0000000000000000    -0.0000000000000000    0.0000000000000000    6.0591438399999999 Rb Te   6   6Direct   0.0000000000000000  0.3333316900000000  0.0000000000000000   0.6666683099999999  0.6666683099999999  0.0000000000000000   0.3333316900000000  0.0000000000000000  0.0000000000000000   0.0000000000000000  0.6666640200000000  0.5000000000000000   0.3333359800000000  0.3333359800000000  0.5000000000000000   0.6666640200000000  0.0000000000000000  0.5000000000000000   0.0000000000000000  0.0000000000000000  0.7500025900000000   0.0000000000000000  0.0000000000000000  0.2499974100000000   0.3333333300000000  0.6666666700000000  0.7500108400000001   0.3333333300000000  0.6666666700000000  0.2499891600000000   0.6666666700000000  0.3333333300000000  0.2499891600000000   0.6666666700000000  0.3333333300000000  0.7500108400000001vasp-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     2     2     3 0.000 0.000 0.000