# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/ae911710-254a-4e3d-94f6-f5f5986d9b2a/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 / R3m (160) / materials id 9947](https://mdr.nims.go.jp/datasets/309fbe88-8440-4e07-9214-5c0fc9edc931)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     7     7     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  21</c><c>C </c><c>     12.01100000</c><c>      4.00000000</c><c>  PAW_PBE C 08Apr2002                   </c></rc>    <rc><c>  21</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/POSCAR-unitcell C Si   1.0     3.0808996600000000    0.0000000000000000    0.0000000000000000    -1.5404498300000000    2.6681373700000002    0.0000000000000000     0.0000000000000000    0.0000000000000000   52.8891292899999996 C Si  21  21Direct   0.6666666700000000  0.3333333300000000  0.1785760300000000   0.6666666700000000  0.3333333300000000  0.0832765500000000   0.3333333300000000  0.6666666700000000  0.2739106100000000   0.3333333300000000  0.6666666700000000  0.1310367100000000   0.0000000000000000  0.0000000000000000  0.3214483900000000   0.0000000000000000  0.0000000000000000  0.2261500200000000   0.0000000000000000  0.0000000000000000  0.0357086100000000   0.3333333300000000  0.6666666700000000  0.5119093699999999   0.3333333300000000  0.6666666700000000  0.4166098800000000   0.0000000000000000  0.0000000000000000  0.6072439400000000   0.0000000000000000  0.0000000000000000  0.4643700400000000   0.6666666700000000  0.3333333300000000  0.6547817200000000   0.6666666700000000  0.3333333300000000  0.5594833500000000   0.6666666700000000  0.3333333300000000  0.3690419400000000   0.0000000000000000  0.0000000000000000  0.8452427000000000   0.0000000000000000  0.0000000000000000  0.7499432100000001   0.6666666700000000  0.3333333300000000  0.9405772700000000   0.6666666700000000  0.3333333300000000  0.7977033800000000   0.3333333300000000  0.6666666700000000  0.9881150600000000   0.3333333300000000  0.6666666700000000  0.8928166900000000   0.3333333300000000  0.6666666700000000  0.7023752800000000   0.6666666700000000  0.3333333300000000  0.1428614000000000   0.6666666700000000  0.3333333300000000  0.0475614100000000   0.3333333300000000  0.6666666700000000  0.2380941800000000   0.3333333300000000  0.6666666700000000  0.0952196400000000   0.0000000000000000  0.0000000000000000  0.2857357900000000   0.0000000000000000  0.0000000000000000  0.1904365800000000   0.6666666700000000  0.3333333300000000  0.3333174400000000   0.3333333300000000  0.6666666700000000  0.4761947300000000   0.3333333300000000  0.6666666700000000  0.3808947400000000   0.0000000000000000  0.0000000000000000  0.5714275100000000   0.0000000000000000  0.0000000000000000  0.4285529700000000   0.6666666700000000  0.3333333300000000  0.6190691300000000   0.6666666700000000  0.3333333300000000  0.5237699099999999   0.3333333300000000  0.6666666700000000  0.6666507800000000   0.0000000000000000  0.0000000000000000  0.8095280700000000   0.0000000000000000  0.0000000000000000  0.7142280700000000   0.6666666700000000  0.3333333300000000  0.9047608400000000   0.6666666700000000  0.3333333300000000  0.7618863000000000   0.3333333300000000  0.6666666700000000  0.9524024600000000   0.3333333300000000  0.6666666700000000  0.8571032500000000   0.0000000000000000  0.0000000000000000  0.9999841100000000vasp-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