# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/8fb0cd0c-8b8d-42d0-af4e-f16924159fef/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 Rb2MnTe2 / Ibam (72) / materials id 8720](https://mdr.nims.go.jp/datasets/295dbf5c-a35b-49c1-8dc6-db1091c71fd8)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     3     1     3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  24</c><c>Mn</c><c>     54.93800000</c><c>     13.00000000</c><c>  PAW_PBE Mn_pv 02Aug2007               </c></rc>    <rc><c>  48</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </c></rc>    <rc><c>  48</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 = 350.823200     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 = 350.823200     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 Mn Rb Te   1.0     7.6378100800000004    0.0000000000000000    0.0000000000000000     0.0000000000000000   14.4036043599999992    0.0000000000000000     0.0000000000000000    0.0000000000000000    6.3695380699999999 Mn Rb Te   4   8   8Direct   0.0000000000000000  0.0000000000000000  0.2500000000000000   0.0000000000000000  0.0000000000000000  0.7500000000000000   0.5000000000000000  0.5000000000000000  0.7500000000000000   0.5000000000000000  0.5000000000000000  0.2500000000000000   0.3342469100000000  0.1456283300000000  0.5000000000000000   0.6657530899999999  0.1456283300000000  0.0000000000000000   0.1657530900000000  0.3543716700000000  0.0000000000000000   0.8342469100000001  0.3543716700000000  0.5000000000000000   0.8342469100000001  0.6456283300000000  0.0000000000000000   0.1657530900000000  0.6456283300000000  0.5000000000000000   0.6657530899999999  0.8543716700000000  0.5000000000000000   0.3342469100000000  0.8543716700000000  0.0000000000000000   0.6766186199999999  0.4026411300000000  0.0000000000000000   0.8233813800000001  0.0973588700000000  0.5000000000000000   0.1766186200000000  0.0973588700000000  0.0000000000000000   0.3233813800000000  0.4026411300000000  0.5000000000000000   0.1766186200000000  0.9026411300000000  0.5000000000000000   0.3233813800000000  0.5973588700000000  0.0000000000000000   0.6766186199999999  0.5973588700000000  0.5000000000000000   0.8233813800000001  0.9026411300000000  0.0000000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 350.823200     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     1     3 0.000 0.000 0.000