# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/cef399ad-27a4-4e26-863c-aecf19d55617/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 Na2CdSnS4 / C2 (5) / materials id 561075](https://mdr.nims.go.jp/datasets/a01c839e-6500-42bf-8f6c-ce30179b5680)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     2 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>  32</c><c>Na</c><c>     22.99000000</c><c>      7.00000000</c><c>  PAW_PBE Na_pv 19Sep2006               </c></rc>    <rc><c>  16</c><c>Cd</c><c>    112.41100000</c><c>     12.00000000</c><c>  PAW_PBE Cd 06Sep2000                  </c></rc>    <rc><c>  16</c><c>Sn</c><c>    118.71000000</c><c>     14.00000000</c><c>  PAW_PBE Sn_d 06Sep2000                </c></rc>    <rc><c>  64</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 356.636800     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 = 356.636800     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 Na Cd Sn S   1.0     9.1390535100000001    0.0000000000000000   -0.0262014400000000     0.0000000000000000   10.0139215600000000    0.0000000000000000    -4.5563835600000004    0.0000000000000000    4.5826237100000000 Na Cd Sn S   4   2   2   8Direct   0.0000000000000000  0.4858831400000000  0.5000000000000000   0.0000000000000000  0.2359048900000000  0.0000000000000000   0.5000000000000000  0.9858831400000000  0.5000000000000000   0.5000000000000000  0.7359048900000000  0.0000000000000000   0.5000000000000000  0.4858710200000000  0.5000000000000000   0.0000000000000000  0.9858710200000000  0.5000000000000000   0.5000000000000000  0.2358730500000000  0.0000000000000000   0.0000000000000000  0.7358730499999999  0.0000000000000000   0.7112202900000000  0.3608682700000000  0.9750096700000001   0.2637776400000000  0.1108906500000000  0.5525504000000000   0.7362223600000000  0.1108906500000000  0.4474496000000000   0.2887797100000000  0.3608682700000000  0.0249903300000000   0.2112202900000000  0.8608682700000000  0.9750096700000001   0.7637776400000000  0.6108906500000000  0.5525504000000000   0.2362223600000000  0.6108906500000000  0.4474496000000000   0.7887797100000000  0.8608682700000000  0.0249903300000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 356.636800     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