# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/607b0e3c-4ec5-45e4-906e-afae5f53d748/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 / P3m1 (156) / materials id 582034](https://mdr.nims.go.jp/datasets/2f6c2056-435e-4ae0-aa76-ea99eddaceb1)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     7     7     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  21</c><c>Si</c><c>     28.08500000</c><c>      4.00000000</c><c>  PAW_PBE Si 05Jan2001                  </c></rc>    <rc><c>  21</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 = 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/POSCAR-unitcell Si C   1.0     3.0809110500000001    0.0000000000000000    0.0000000000000000    -1.5404555200000001    2.6681472400000001    0.0000000000000000     0.0000000000000000    0.0000000000000000   52.8896465699999965 Si C  21  21Direct   0.3333333300000000  0.6666666700000000  0.4762253100000000   0.3333333300000000  0.6666666700000000  0.1904813100000000   0.0000000000000000  0.0000000000000000  0.6190996300000000   0.3333333300000000  0.6666666700000000  0.0951827900000000   0.0000000000000000  0.0000000000000000  0.7618556500000000   0.3333333300000000  0.6666666700000000  0.9047350100000000   0.6666666700000000  0.3333333300000000  0.7142692900000001   0.6666666700000000  0.3333333300000000  0.2857135900000000   0.0000000000000000  0.0000000000000000  0.9523100200000000   0.0000000000000000  0.0000000000000000  0.5238000199999999   0.6666666700000000  0.3333333300000000  0.1428397100000000   0.0000000000000000  0.0000000000000000  0.2380563000000000   0.6666666700000000  0.3333333300000000  0.9999678200000000   0.6666666700000000  0.3333333300000000  0.4285834700000000   0.0000000000000000  0.0000000000000000  0.3333539500000000   0.0000000000000000  0.0000000000000000  0.0476093800000000   0.3333333300000000  0.6666666700000000  0.8094352000000000   0.3333333300000000  0.6666666700000000  0.6666831000000000   0.6666666700000000  0.3333333300000000  0.5714574400000000   0.3333333300000000  0.6666666700000000  0.3809270400000000   0.6666666700000000  0.3333333300000000  0.8570940700000000   0.0000000000000000  0.0000000000000000  0.2737695000000000   0.3333333300000000  0.6666666700000000  0.7024066500000000   0.3333333300000000  0.6666666700000000  0.9404496900000000   0.0000000000000000  0.0000000000000000  0.6548127900000000   0.0000000000000000  0.0000000000000000  0.7975830699999999   0.6666666700000000  0.3333333300000000  0.3215292300000000   0.0000000000000000  0.0000000000000000  0.0833228400000000   0.6666666700000000  0.3333333300000000  0.6072738799999999   0.6666666700000000  0.3333333300000000  0.0357845600000000   0.3333333300000000  0.6666666700000000  0.2261957700000000   0.6666666700000000  0.3333333300000000  0.1786561800000000   0.3333333300000000  0.6666666700000000  0.5119395500000000   0.6666666700000000  0.3333333300000000  0.8929108900000000   0.6666666700000000  0.3333333300000000  0.4643999700000000   0.0000000000000000  0.0000000000000000  0.5595132899999999   0.0000000000000000  0.0000000000000000  0.9880236200000000   0.3333333300000000  0.6666666700000000  0.8451512800000001   0.0000000000000000  0.0000000000000000  0.3690672100000000   0.3333333300000000  0.6666666700000000  0.1308956300000000   0.3333333300000000  0.6666666700000000  0.4166397600000000   0.6666666700000000  0.3333333300000000  0.7499944900000000vasp-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     1 0.000 0.000 0.000