# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/f59647ce-de62-42e0-b381-7cd5e717ee12/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 H2 / I4/mmm (139) / materials id 632172](https://mdr.nims.go.jp/datasets/5cd8fc12-29ab-43c8-99d7-72b84d5b1958)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     7     7     7 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c> 144</c><c>H </c><c>      1.00000000</c><c>      1.00000000</c><c>  PAW_PBE H 15Jun2001                   </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 325.000000     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 = 325.000000     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 H   1.0     3.0705962400000000    0.0000000000000000    0.0000000000000000     0.0000000000000000    3.0705962400000000    0.0000000000000000     0.0000000000000000    0.0000000000000000    2.7844780099999999 H   4Direct   0.0000000000000000  0.0000000000000000  0.1365092300000000   0.0000000000000000  0.0000000000000000  0.8634907700000000   0.5000000000000000  0.5000000000000000  0.6365092299999999   0.5000000000000000  0.5000000000000000  0.3634907700000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 325.000000     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     4     6 0.000 0.000 0.000