# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d76da34e-d072-4e92-816c-65b12dd79600/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 CsLaZnTe3 / Cmcm (63) / materials id 510460](https://mdr.nims.go.jp/datasets/acd0b135-e1e4-4ec8-aae3-20ae2af14740)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     4     1     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  24</c><c>Cs</c><c>    132.90000000</c><c>      9.00000000</c><c>  PAW_PBE Cs_sv 08Apr2002               </c></rc>    <rc><c>  24</c><c>La</c><c>    138.90000000</c><c>     11.00000000</c><c>  PAW_PBE La 06Sep2000                  </c></rc>    <rc><c>  24</c><c>Zn</c><c>     65.39000000</c><c>     12.00000000</c><c>  PAW_PBE Zn 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 = 359.739900     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 = 359.739900     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 Cs La Zn Te   1.0     4.5119256800000000    0.0000000000000000    0.0000000000000000     0.0000000000000000   16.6541372099999982    0.0000000000000000     0.0000000000000000    0.0000000000000000   11.9925221099999995 Cs La Zn Te   4   4   4  12Direct   0.5000000000000000  0.2445838100000000  0.2500000000000000   0.0000000000000000  0.2554161900000000  0.7500000000000000   0.0000000000000000  0.7445838100000000  0.2500000000000000   0.5000000000000000  0.7554161900000000  0.7500000000000000   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  0.4632929400000000  0.2500000000000000   0.5000000000000000  0.0367070600000000  0.7500000000000000   0.5000000000000000  0.9632929400000000  0.2500000000000000   0.0000000000000000  0.5367070600000000  0.7500000000000000   0.0000000000000000  0.3743851900000000  0.4318897100000000   0.5000000000000000  0.1256148100000000  0.5681102900000000   0.5000000000000000  0.1256148100000000  0.9318897100000000   0.0000000000000000  0.3743851900000000  0.0681102900000000   0.0000000000000000  0.0609008800000000  0.2500000000000000   0.5000000000000000  0.4390991200000000  0.7500000000000000   0.5000000000000000  0.8743851900000000  0.4318897100000000   0.0000000000000000  0.6256148100000001  0.5681102900000000   0.0000000000000000  0.6256148100000001  0.9318897100000000   0.5000000000000000  0.8743851900000000  0.0681102900000000   0.5000000000000000  0.5609008799999999  0.2500000000000000   0.0000000000000000  0.9390991200000000  0.7500000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 359.739900     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     4     1     2 0.000 0.000 0.000