# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/a5ed119d-4a6e-4340-a0d3-bec3442a2cb1/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 CsSn / I4_1/acd (142) / materials id 11055](https://mdr.nims.go.jp/datasets/b2d82b03-32af-4347-91d8-c8aee29f4d0e)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</c><c>Sn</c><c>    118.71000000</c><c>     14.00000000</c><c>  PAW_PBE Sn_d 06Sep2000                </c></rc>    <rc><c>  32</c><c>Cs</c><c>    132.90000000</c><c>      9.00000000</c><c>  PAW_PBE Cs_sv 08Apr2002               </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 313.407900     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/POSCAR-unitcell Sn Cs   1.0    11.9446713700000000    0.0000000000000000    0.0000000000000000     0.0000000000000000   11.9446713700000000    0.0000000000000000     0.0000000000000000    0.0000000000000000   19.5928750299999983 Sn Cs  32  32Direct   0.3935480800000000  0.0620593000000000  0.8033237799999999   0.0620593000000000  0.3935480800000000  0.6966762200000001   0.9379407000000000  0.6064519200000000  0.6966762200000001   0.1064519200000000  0.0620593000000000  0.4466762200000000   0.8935480800000000  0.9379407000000000  0.4466762200000000   0.5620593000000000  0.6064519200000000  0.5533237799999999   0.4379407000000000  0.3935480800000000  0.5533237799999999   0.6064519200000000  0.9379407000000000  0.8033237799999999   0.6064519200000000  0.4379407000000000  0.4466762200000000   0.9379407000000000  0.1064519200000000  0.5533237799999999   0.0620593000000000  0.8935480800000000  0.5533237799999999   0.8935480800000000  0.4379407000000000  0.8033237799999999   0.1064519200000000  0.5620593000000000  0.8033237799999999   0.4379407000000000  0.8935480800000000  0.6966762200000001   0.5620593000000000  0.1064519200000000  0.6966762200000001   0.3935480800000000  0.5620593000000000  0.4466762200000000   0.8935480800000000  0.5620593000000000  0.3033237800000000   0.5620593000000000  0.8935480800000000  0.1966762200000000   0.4379407000000000  0.1064519200000000  0.1966762200000000   0.6064519200000000  0.5620593000000000  0.9466762200000000   0.3935480800000000  0.4379407000000000  0.9466762200000000   0.0620593000000000  0.1064519200000000  0.0533237800000000   0.9379407000000000  0.8935480800000000  0.0533237800000000   0.1064519200000000  0.4379407000000000  0.3033237800000000   0.1064519200000000  0.9379407000000000  0.9466762200000000   0.4379407000000000  0.6064519200000000  0.0533237800000000   0.5620593000000000  0.3935480800000000  0.0533237800000000   0.3935480800000000  0.9379407000000000  0.3033237800000000   0.6064519200000000  0.0620593000000000  0.3033237800000000   0.9379407000000000  0.3935480800000000  0.1966762200000000   0.0620593000000000  0.6064519200000000  0.1966762200000000   0.8935480800000000  0.0620593000000000  0.9466762200000000   0.3803902200000000  0.8803902200000000  0.5000000000000000   0.8803902200000000  0.1196097800000000  0.7500000000000000   0.1196097800000000  0.8803902200000000  0.7500000000000000   0.6196097800000000  0.1196097800000000  0.5000000000000000   0.6196097800000000  0.6196097800000000  0.7500000000000000   0.1196097800000000  0.3803902200000000  0.5000000000000000   0.8803902200000000  0.6196097800000000  0.5000000000000000   0.3803902200000000  0.3803902200000000  0.7500000000000000   0.7500000000000000  0.3579627000000000  0.6250000000000000   0.3579627000000000  0.7500000000000000  0.8750000000000000   0.6420372999999999  0.2500000000000000  0.8750000000000000   0.2500000000000000  0.6420372999999999  0.6250000000000000   0.2500000000000000  0.1420373000000000  0.6250000000000000   0.1420373000000000  0.2500000000000000  0.8750000000000000   0.8579627000000000  0.7500000000000000  0.8750000000000000   0.7500000000000000  0.8579627000000000  0.6250000000000000   0.8803902200000000  0.3803902200000000  0.0000000000000000   0.3803902200000000  0.6196097800000000  0.2500000000000000   0.6196097800000000  0.3803902200000000  0.2500000000000000   0.1196097800000000  0.6196097800000000  0.0000000000000000   0.1196097800000000  0.1196097800000000  0.2500000000000000   0.6196097800000000  0.8803902200000000  0.0000000000000000   0.3803902200000000  0.1196097800000000  0.0000000000000000   0.8803902200000000  0.8803902200000000  0.2500000000000000   0.2500000000000000  0.8579627000000000  0.1250000000000000   0.8579627000000000  0.2500000000000000  0.3750000000000000   0.1420373000000000  0.7500000000000000  0.3750000000000000   0.7500000000000000  0.1420373000000000  0.1250000000000000   0.7500000000000000  0.6420372999999999  0.1250000000000000   0.6420372999999999  0.7500000000000000  0.3750000000000000   0.3579627000000000  0.2500000000000000  0.3750000000000000   0.2500000000000000  0.3579627000000000  0.1250000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 313.407900     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     1 0.000 0.000 0.000