# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/47756c7a-8d4d-42f2-9425-c37e0c17a415/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 InOF / Fddd (70) / materials id 27175](https://mdr.nims.go.jp/datasets/f947250b-61c1-43dd-aac2-c38d66414e7d)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     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>  32</c><c>F </c><c>     18.99800000</c><c>      7.00000000</c><c>  PAW_PBE F 08Apr2002                   </c></rc>    <rc><c>  32</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 F In   1.0     7.0567518299999996    0.0000000000000000    0.0000000000000000     0.0000000000000000    8.4210993900000002    0.0000000000000000     0.0000000000000000    0.0000000000000000   10.2387029199999997 O F In  16  16  16Direct   0.5000000000000000  0.0000000000000000  0.6364235400000000   0.7500000000000000  0.7500000000000000  0.3864235400000000   0.7500000000000000  0.2500000000000000  0.6135764600000000   0.5000000000000000  0.5000000000000000  0.8635764600000000   0.5000000000000000  0.5000000000000000  0.1364235400000000   0.7500000000000000  0.2500000000000000  0.8864235400000000   0.7500000000000000  0.7500000000000000  0.1135764600000000   0.5000000000000000  0.0000000000000000  0.3635764600000000   0.0000000000000000  0.0000000000000000  0.1364235400000000   0.2500000000000000  0.7500000000000000  0.8864235400000000   0.2500000000000000  0.2500000000000000  0.1135764600000000   0.0000000000000000  0.5000000000000000  0.3635764600000000   0.0000000000000000  0.5000000000000000  0.6364235400000000   0.2500000000000000  0.2500000000000000  0.3864235400000000   0.2500000000000000  0.7500000000000000  0.6135764600000000   0.0000000000000000  0.0000000000000000  0.8635764600000000   0.3750000000000000  0.3750000000000000  0.6250000000000000   0.6250000000000000  0.6250000000000000  0.6250000000000000   0.1250000000000000  0.8750000000000000  0.3750000000000000   0.3750000000000000  0.1250000000000000  0.8750000000000000   0.3750000000000000  0.8750000000000000  0.1250000000000000   0.6250000000000000  0.1250000000000000  0.1250000000000000   0.1250000000000000  0.3750000000000000  0.8750000000000000   0.3750000000000000  0.6250000000000000  0.3750000000000000   0.8750000000000000  0.3750000000000000  0.1250000000000000   0.1250000000000000  0.6250000000000000  0.1250000000000000   0.6250000000000000  0.8750000000000000  0.8750000000000000   0.8750000000000000  0.1250000000000000  0.3750000000000000   0.8750000000000000  0.8750000000000000  0.6250000000000000   0.1250000000000000  0.1250000000000000  0.6250000000000000   0.6250000000000000  0.3750000000000000  0.3750000000000000   0.8750000000000000  0.6250000000000000  0.8750000000000000   0.5000000000000000  0.2002402400000000  0.5000000000000000   0.0000000000000000  0.2997597600000000  0.5000000000000000   0.7500000000000000  0.0497597600000000  0.7500000000000000   0.2500000000000000  0.9502402400000000  0.7500000000000000   0.5000000000000000  0.7002402400000001  0.0000000000000000   0.0000000000000000  0.7997597599999999  0.0000000000000000   0.7500000000000000  0.5497597599999999  0.2500000000000000   0.2500000000000000  0.4502402400000000  0.2500000000000000   0.0000000000000000  0.2002402400000000  0.0000000000000000   0.5000000000000000  0.2997597600000000  0.0000000000000000   0.2500000000000000  0.0497597600000000  0.2500000000000000   0.7500000000000000  0.9502402400000000  0.2500000000000000   0.0000000000000000  0.7002402400000001  0.5000000000000000   0.5000000000000000  0.7997597599999999  0.5000000000000000   0.2500000000000000  0.5497597599999999  0.7500000000000000   0.7500000000000000  0.4502402400000000  0.7500000000000000vasp-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     3     2     2 0.000 0.000 0.000