# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/5e450ed7-146f-4fd7-a3d3-d6606f667169/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 CdIn2O4 / Fd-3m (227) / materials id 19803](https://mdr.nims.go.jp/datasets/2515caa0-47a1-4744-b13c-9be2824a47ba)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</c><c>O </c><c>     16.00000000</c><c>      6.00000000</c><c>  PAW_PBE O 08Apr2002                   </c></rc>    <rc><c>   8</c><c>Cd</c><c>    112.41100000</c><c>     12.00000000</c><c>  PAW_PBE Cd 06Sep2000                  </c></rc>    <rc><c>  16</c><c>In</c><c>    114.82000000</c><c>     13.00000000</c><c>  PAW_PBE In_d 06Sep2000                </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 520.000000     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 O Cd In   1.0     9.2078527200000000    0.0000000000000000    0.0000000000000000     0.0000000000000000    9.2078527200000000    0.0000000000000000     0.0000000000000000    0.0000000000000000    9.2078527200000000 O Cd In  32   8  16Direct   0.3620690200000000  0.8620690200000000  0.8620690200000000   0.1120690200000000  0.1120690200000000  0.8879309800000000   0.1120690200000000  0.8879309800000000  0.1120690200000000   0.8879309800000000  0.1120690200000000  0.1120690200000000   0.1379309800000000  0.8620690200000000  0.6379309799999999   0.3620690200000000  0.6379309799999999  0.6379309799999999   0.8879309800000000  0.8879309800000000  0.8879309800000000   0.1379309800000000  0.6379309799999999  0.8620690200000000   0.3620690200000000  0.3620690200000000  0.3620690200000000   0.1120690200000000  0.6120690200000001  0.3879309800000000   0.1120690200000000  0.3879309800000000  0.6120690200000001   0.8879309800000000  0.6120690200000001  0.6120690200000001   0.1379309800000000  0.3620690200000000  0.1379309800000000   0.3620690200000000  0.1379309800000000  0.1379309800000000   0.8879309800000000  0.3879309800000000  0.3879309800000000   0.1379309800000000  0.1379309800000000  0.3620690200000000   0.8620690200000000  0.8620690200000000  0.3620690200000000   0.6120690200000001  0.1120690200000000  0.3879309800000000   0.6120690200000001  0.8879309800000000  0.6120690200000001   0.3879309800000000  0.1120690200000000  0.6120690200000001   0.6379309799999999  0.8620690200000000  0.1379309800000000   0.8620690200000000  0.6379309799999999  0.1379309800000000   0.3879309800000000  0.8879309800000000  0.3879309800000000   0.6379309799999999  0.6379309799999999  0.3620690200000000   0.8620690200000000  0.3620690200000000  0.8620690200000000   0.6120690200000001  0.6120690200000001  0.8879309800000000   0.6120690200000001  0.3879309800000000  0.1120690200000000   0.3879309800000000  0.6120690200000001  0.1120690200000000   0.6379309799999999  0.3620690200000000  0.6379309799999999   0.8620690200000000  0.1379309800000000  0.6379309799999999   0.3879309800000000  0.3879309800000000  0.8879309800000000   0.6379309799999999  0.1379309800000000  0.8620690200000000   0.7500000000000000  0.7500000000000000  0.7500000000000000   0.5000000000000000  0.0000000000000000  0.0000000000000000   0.7500000000000000  0.2500000000000000  0.2500000000000000   0.5000000000000000  0.5000000000000000  0.5000000000000000   0.2500000000000000  0.7500000000000000  0.2500000000000000   0.0000000000000000  0.0000000000000000  0.5000000000000000   0.2500000000000000  0.2500000000000000  0.7500000000000000   0.0000000000000000  0.5000000000000000  0.0000000000000000   0.3750000000000000  0.8750000000000000  0.6250000000000000   0.1250000000000000  0.6250000000000000  0.6250000000000000   0.1250000000000000  0.8750000000000000  0.8750000000000000   0.8750000000000000  0.6250000000000000  0.3750000000000000   0.3750000000000000  0.3750000000000000  0.1250000000000000   0.1250000000000000  0.1250000000000000  0.1250000000000000   0.1250000000000000  0.3750000000000000  0.3750000000000000   0.8750000000000000  0.1250000000000000  0.8750000000000000   0.8750000000000000  0.8750000000000000  0.1250000000000000   0.6250000000000000  0.6250000000000000  0.1250000000000000   0.6250000000000000  0.8750000000000000  0.3750000000000000   0.3750000000000000  0.6250000000000000  0.8750000000000000   0.8750000000000000  0.3750000000000000  0.6250000000000000   0.6250000000000000  0.1250000000000000  0.6250000000000000   0.6250000000000000  0.3750000000000000  0.8750000000000000   0.3750000000000000  0.1250000000000000  0.3750000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 520.000000     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     2 0.000 0.000 0.000