# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/1331fbeb-f483-49f6-9cd0-472015e152ce/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 LiC / Immm (71) / materials id 1378](https://mdr.nims.go.jp/datasets/7773ac6d-74c5-4ade-85f9-d7fcaf2b6802)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     1     2 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     6     4     4 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  72</c><c>Li</c><c>      7.01000000</c><c>      3.00000000</c><c>  PAW_PBE Li_sv 10Sep2004               </c></rc>    <rc><c>  72</c><c>C </c><c>     12.01100000</c><c>      4.00000000</c><c>  PAW_PBE C 08Apr2002                   </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 648.744200     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 = 648.744200     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 Li C   1.0     3.5646833600000001    0.0000000000000000    0.0000000000000000     0.0000000000000000    4.8031542199999997    0.0000000000000000     0.0000000000000000    0.0000000000000000    5.2973877199999997 Li C   4   4Direct   0.5000000000000000  0.0000000000000000  0.7613356000000000   0.5000000000000000  0.0000000000000000  0.2386644000000000   0.0000000000000000  0.5000000000000000  0.2613356000000000   0.0000000000000000  0.5000000000000000  0.7386644000000000   0.5000000000000000  0.6310513400000000  0.0000000000000000   0.5000000000000000  0.3689486600000000  0.0000000000000000   0.0000000000000000  0.1310513400000000  0.5000000000000000   0.0000000000000000  0.8689486600000000  0.5000000000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 648.744200     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     6     4     4 0.000 0.000 0.000