# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/4303c97b-1a1c-4931-848d-31025511ef75/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 SiC / P6_3mc (186) / materials id 11714](https://mdr.nims.go.jp/datasets/f3036369-c695-4812-a063-e142175324c6)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/KPOINTS-nacAutomatic mesh0Gamma     7     7     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  64</c><c>C </c><c>     12.01100000</c><c>      4.00000000</c><c>  PAW_PBE C 08Apr2002                   </c></rc>    <rc><c>  64</c><c>Si</c><c>     28.08500000</c><c>      4.00000000</c><c>  PAW_PBE Si 05Jan2001                  </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 C Si   1.0     3.0797744900000001    0.0000000000000000    0.0000000000000000    -1.5398872400000001    2.6671629499999998    0.0000000000000000     0.0000000000000000    0.0000000000000000   10.0806774899999994 C Si   4   4Direct   0.6666666700000000  0.3333333300000000  0.7497946200000001   0.3333333300000000  0.6666666700000000  0.2497946200000000   0.0000000000000000  0.0000000000000000  0.5004443900000000   0.0000000000000000  0.0000000000000000  0.0004443900000000   0.6666666700000000  0.3333333300000000  0.9378508400000000   0.3333333300000000  0.6666666700000000  0.4378508400000000   0.0000000000000000  0.0000000000000000  0.6879101500000000   0.0000000000000000  0.0000000000000000  0.1879101500000000vasp-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     7     7     2 0.000 0.000 0.000