# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/fb83f522-3d3a-4e67-9778-07e23ebdcb9f/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 570985](https://mdr.nims.go.jp/datasets/390d1209-a293-4441-ad9b-659e42917c46)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     7     7     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  27</c><c>Si</c><c>     28.08500000</c><c>      4.00000000</c><c>  PAW_PBE Si 05Jan2001                  </c></rc>    <rc><c>  27</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     3.0804728199999998    0.0000000000000000    0.0000000000000000    -1.5402364099999999    2.6677677200000001    0.0000000000000000     0.0000000000000000    0.0000000000000000   68.0174110500000069 Si C  27  27Direct   0.0000000000000000  0.0000000000000000  0.7777648600000000   0.6666666700000000  0.3333333300000000  0.0370591700000000   0.6666666700000000  0.3333333300000000  0.5926210300000000   0.3333333300000000  0.6666666700000000  0.7037234200000000   0.3333333300000000  0.6666666700000000  0.4815197100000000   0.6666666700000000  0.3333333300000000  0.3704171500000000   0.0000000000000000  0.0000000000000000  0.0741189400000000   0.0000000000000000  0.0000000000000000  0.2222545900000000   0.0000000000000000  0.0000000000000000  0.5555610100000000   0.3333333300000000  0.6666666700000000  0.2593155000000000   0.3333333300000000  0.6666666700000000  0.8518619300000000   0.0000000000000000  0.0000000000000000  0.3333575600000000   0.6666666700000000  0.3333333300000000  0.8148230800000000   0.6666666700000000  0.3333333300000000  0.5185148700000000   0.3333333300000000  0.6666666700000000  0.1111119800000000   0.6666666700000000  0.3333333300000000  0.8889214300000000   0.3333333300000000  0.6666666700000000  0.1852146500000000   0.6666666700000000  0.3333333300000000  0.7407179400000000   0.0000000000000000  0.0000000000000000  0.0000189900000000   0.6666666700000000  0.3333333300000000  0.1481570300000000   0.0000000000000000  0.0000000000000000  0.4444606300000000   0.0000000000000000  0.0000000000000000  0.9259146900000000   0.0000000000000000  0.0000000000000000  0.6666642400000000   0.6666666700000000  0.3333333300000000  0.2963115200000000   0.3333333300000000  0.6666666700000000  0.4074137500000000   0.3333333300000000  0.6666666700000000  0.6296176800000000   0.3333333300000000  0.6666666700000000  0.9629605600000000   0.0000000000000000  0.0000000000000000  0.1943962500000000   0.6666666700000000  0.3333333300000000  0.4907350000000000   0.3333333300000000  0.6666666700000000  0.0833336600000000   0.3333333300000000  0.6666666700000000  0.9351034400000000   0.6666666700000000  0.3333333300000000  0.0092005800000000   0.6666666700000000  0.3333333300000000  0.5648412199999999   0.6666666700000000  0.3333333300000000  0.8611426600000001   0.0000000000000000  0.0000000000000000  0.5277023700000000   0.3333333300000000  0.6666666700000000  0.2315358500000000   0.3333333300000000  0.6666666700000000  0.6018368400000000   0.3333333300000000  0.6666666700000000  0.3796329400000000   0.0000000000000000  0.0000000000000000  0.8981362900000001   0.0000000000000000  0.0000000000000000  0.9722478000000000   0.6666666700000000  0.3333333300000000  0.7870523400000000   0.0000000000000000  0.0000000000000000  0.0463402200000000   0.0000000000000000  0.0000000000000000  0.4166017700000000   0.0000000000000000  0.0000000000000000  0.3054989800000000   0.6666666700000000  0.3333333300000000  0.1203006000000000   0.3333333300000000  0.6666666700000000  0.8240040600000000   0.0000000000000000  0.0000000000000000  0.6388054900000000   0.6666666700000000  0.3333333300000000  0.2685312600000000   0.3333333300000000  0.6666666700000000  0.6759442000000000   0.6666666700000000  0.3333333300000000  0.3426374900000000   0.6666666700000000  0.3333333300000000  0.7129388500000000   0.0000000000000000  0.0000000000000000  0.7499072400000000   0.3333333300000000  0.6666666700000000  0.4537406800000000   0.3333333300000000  0.6666666700000000  0.1574439500000000vasp-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