# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/16b21a03-472f-4365-adf7-d9cf2316f994/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 570641](https://mdr.nims.go.jp/datasets/7e272c67-1c1b-4534-a787-2afa6d15ae9e)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     7     7     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  24</c><c>Si</c><c>     28.08500000</c><c>      4.00000000</c><c>  PAW_PBE Si 05Jan2001                  </c></rc>    <rc><c>  24</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     3.0811229600000001    0.0000000000000000    0.0000000000000000    -1.5405614900000000    2.6683307599999999    0.0000000000000000     0.0000000000000000    0.0000000000000000   60.4392024699999979 Si C  24  24Direct   0.0000000000000000  0.0000000000000000  0.8750565400000000   0.6666666700000000  0.3333333300000000  0.7084538000000000   0.6666666700000000  0.3333333300000000  0.9167604900000000   0.3333333300000000  0.6666666700000000  0.6667494300000000   0.6666666700000000  0.3333333300000000  0.8333657800000001   0.3333333300000000  0.6666666700000000  0.9583923400000000   0.0000000000000000  0.0000000000000000  0.7500881200000000   0.3333333300000000  0.6666666700000000  0.7917280400000000   0.6666666700000000  0.3333333300000000  0.2083898800000000   0.3333333300000000  0.6666666700000000  0.0417871300000000   0.3333333300000000  0.6666666700000000  0.2500938300000000   0.0000000000000000  0.0000000000000000  0.0000827600000000   0.3333333300000000  0.6666666700000000  0.1666991200000000   0.0000000000000000  0.0000000000000000  0.2917256800000000   0.6666666700000000  0.3333333300000000  0.0834214600000000   0.0000000000000000  0.0000000000000000  0.1250613800000000   0.3333333300000000  0.6666666700000000  0.5417232100000000   0.0000000000000000  0.0000000000000000  0.3751204600000000   0.0000000000000000  0.0000000000000000  0.5834271600000001   0.6666666700000000  0.3333333300000000  0.3334161000000000   0.0000000000000000  0.0000000000000000  0.5000324500000000   0.6666666700000000  0.3333333300000000  0.6250590100000000   0.3333333300000000  0.6666666700000000  0.4167547900000000   0.6666666700000000  0.3333333300000000  0.4583947100000000   0.0000000000000000  0.0000000000000000  0.9687434400000000   0.6666666700000000  0.3333333300000000  0.8021183300000000   0.3333333300000000  0.6666666700000000  0.7604714900000000   0.0000000000000000  0.0000000000000000  0.7188287500000000   0.0000000000000000  0.0000000000000000  0.8437177200000000   0.6666666700000000  0.3333333300000000  0.6772038499999999   0.3333333300000000  0.6666666700000000  0.9271429500000000   0.6666666700000000  0.3333333300000000  0.8855122300000000   0.6666666700000000  0.3333333300000000  0.3020767700000000   0.3333333300000000  0.6666666700000000  0.1354516600000000   0.0000000000000000  0.0000000000000000  0.0938048300000000   0.6666666700000000  0.3333333300000000  0.0521620800000000   0.6666666700000000  0.3333333300000000  0.1770510500000000   0.3333333300000000  0.6666666700000000  0.0105371800000000   0.0000000000000000  0.0000000000000000  0.2604762900000000   0.3333333300000000  0.6666666700000000  0.2188455600000000   0.3333333300000000  0.6666666700000000  0.6354101100000000   0.0000000000000000  0.0000000000000000  0.4687849900000000   0.6666666700000000  0.3333333300000000  0.4271381600000000   0.3333333300000000  0.6666666700000000  0.3854954100000000   0.3333333300000000  0.6666666700000000  0.5103843800000001   0.0000000000000000  0.0000000000000000  0.3438705100000000   0.6666666700000000  0.3333333300000000  0.5938096200000000   0.0000000000000000  0.0000000000000000  0.5521788999999999vasp-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