# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/e7e2496a-f71b-4e74-a97c-d71c7e238880/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 570791](https://mdr.nims.go.jp/datasets/c9a2923c-badf-44db-85c6-5c4a26b1323f)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     7     7     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  19</c><c>Si</c><c>     28.08500000</c><c>      4.00000000</c><c>  PAW_PBE Si 05Jan2001                  </c></rc>    <rc><c>  19</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     3.0801986399999999    0.0000000000000000    0.0000000000000000    -1.5400993199999999    2.6675302699999999    0.0000000000000000     0.0000000000000000    0.0000000000000000   47.8707559099999997 Si C  19  19Direct   0.6666666700000000  0.3333333300000000  0.2631547300000000   0.6666666700000000  0.3333333300000000  0.0526519600000000   0.6666666700000000  0.3333333300000000  0.8420915400000000   0.3333333300000000  0.6666666700000000  0.3157929000000000   0.0000000000000000  0.0000000000000000  0.2105912200000000   0.3333333300000000  0.6666666700000000  0.6316074199999999   0.0000000000000000  0.0000000000000000  0.5789504500000000   0.6666666700000000  0.3333333300000000  0.3684521700000000   0.0000000000000000  0.0000000000000000  0.7894578800000001   0.6666666700000000  0.3333333300000000  0.4737453300000000   0.3333333300000000  0.6666666700000000  0.5263123100000000   0.0000000000000000  0.0000000000000000  0.1053078600000000   0.0000000000000000  0.0000000000000000  0.0000227100000000   0.3333333300000000  0.6666666700000000  0.1579343800000000   0.3333333300000000  0.6666666700000000  0.7368953100000000   0.6666666700000000  0.3333333300000000  0.6842368500000000   0.0000000000000000  0.0000000000000000  0.8947422600000000   0.0000000000000000  0.0000000000000000  0.4210841200000000   0.3333333300000000  0.6666666700000000  0.9473682500000000   0.0000000000000000  0.0000000000000000  0.3814929200000000   0.0000000000000000  0.0000000000000000  0.1711145200000000   0.3333333300000000  0.6666666700000000  0.2762045500000000   0.6666666700000000  0.3333333300000000  0.2236776200000000   0.3333333300000000  0.6666666700000000  0.5921403400000000   0.6666666700000000  0.3333333300000000  0.6446468700000000   0.6666666700000000  0.3333333300000000  0.3289835300000000   0.0000000000000000  0.0000000000000000  0.8552793400000001   0.6666666700000000  0.3333333300000000  0.0130639900000000   0.0000000000000000  0.0000000000000000  0.5393625900000000   0.0000000000000000  0.0000000000000000  0.0658425100000000   0.6666666700000000  0.3333333300000000  0.8025061099999999   0.3333333300000000  0.6666666700000000  0.4868338700000000   0.6666666700000000  0.3333333300000000  0.4342660500000000   0.3333333300000000  0.6666666700000000  0.6974178600000001   0.0000000000000000  0.0000000000000000  0.7499818700000001   0.0000000000000000  0.0000000000000000  0.9605581300000000   0.3333333300000000  0.6666666700000000  0.1183456200000000   0.3333333300000000  0.6666666700000000  0.9077820300000000vasp-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