# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/1704c014-40ee-40b1-be1b-ded10b47371d/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/c (15) / materials id 561203](https://mdr.nims.go.jp/datasets/9ad43dbf-e076-4933-bf4c-591f5ed8fba6)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 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     5.3719438799999999    0.0000000000000000    0.0380465900000000     0.0000000000000000    3.3267207600000002    0.0000000000000000    -0.1822574500000000    0.0000000000000000    6.4799273499999996 F   8Direct   0.7509315500000000  0.1580109200000000  0.0985938100000000   0.2490684500000000  0.1580109200000000  0.4014061900000000   0.2490684500000000  0.8419890800000001  0.9014061900000000   0.7509315500000000  0.8419890800000001  0.5985938100000000   0.2509315500000000  0.6580109199999999  0.0985938100000000   0.7490684500000000  0.6580109199999999  0.4014061900000000   0.7490684500000000  0.3419890800000000  0.9014061900000000   0.2509315500000000  0.3419890800000000  0.5985938100000000vasp-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