# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/f603b4f7-7f6e-4457-a1a0-3120ff10c21c/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 F2 / C2/m (12) / materials id 561367](https://mdr.nims.go.jp/datasets/1be01590-47b7-47f7-ab21-5ae34884824b)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     4     6     3 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c> 128</c><c>F </c><c>     18.99800000</c><c>      7.00000000</c><c>  PAW_PBE F 08Apr2002                   </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/INCAR-nac      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.  LEPSILON = .TRUE.vasp-settings/POSCAR-unitcell F   1.0     5.5745369900000004    0.0000000000000000   -0.3741955100000000     0.0000000000000000    3.1596826400000002    0.0000000000000000    -2.0355416300000000    0.0000000000000000    6.8771318299999997 F   8Direct   0.4996158400000000  0.0000000000000000  0.5983962600000000   0.9115669200000001  0.0000000000000000  0.9013761200000000   0.5003841600000001  0.0000000000000000  0.4016037400000000   0.0884330800000000  0.0000000000000000  0.0986238800000000   0.9996158400000000  0.5000000000000000  0.5983962600000000   0.4115669200000000  0.5000000000000000  0.9013761200000000   0.0003841600000000  0.5000000000000000  0.4016037400000000   0.5884330799999999  0.5000000000000000  0.0986238800000000vasp-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     4     6     3 0.000 0.000 0.000