# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/3a2b6ebc-5aed-4376-b93a-e14b137f22e6/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 570804](https://mdr.nims.go.jp/datasets/40a52435-eb4c-483f-9b36-99bf6c27d774)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 7 7 1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 39Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 39C 12.01100000 4.00000000 PAW_PBE C 08Apr2002 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 3.0808001599999999 0.0000000000000000 0.0000000000000000 -1.5404000799999999 2.6680512099999998 0.0000000000000000 0.0000000000000000 0.0000000000000000 98.2292960799999975 Si C 39 39Direct 0.3333333300000000 0.6666666700000000 0.2820416500000000 0.0000000000000000 0.0000000000000000 0.1538424800000000 0.6666666700000000 0.3333333300000000 0.2564221300000000 0.6666666700000000 0.3333333300000000 0.1025661200000000 0.6666666700000000 0.3333333300000000 0.0512539200000000 0.0000000000000000 0.0000000000000000 0.0769144600000000 0.3333333300000000 0.6666666700000000 0.0256379100000000 0.6666666700000000 0.3333333300000000 0.3333195800000000 0.0000000000000000 0.0000000000000000 0.3076588300000000 0.3333333300000000 0.6666666700000000 0.1281819900000000 0.0000000000000000 0.0000000000000000 0.2307704900000000 0.6666666700000000 0.3333333300000000 0.2051101400000000 0.3333333300000000 0.6666666700000000 0.1794942400000000 0.0000000000000000 0.0000000000000000 0.6153749900000001 0.6666666700000000 0.3333333300000000 0.4871758200000000 0.3333333300000000 0.6666666700000000 0.5897554700000001 0.3333333300000000 0.6666666700000000 0.4358994500000000 0.3333333300000000 0.6666666700000000 0.3845872600000000 0.6666666700000000 0.3333333300000000 0.4102477900000000 0.0000000000000000 0.0000000000000000 0.3589712400000000 0.3333333300000000 0.6666666700000000 0.6666529100000000 0.6666666700000000 0.3333333300000000 0.6409921700000001 0.0000000000000000 0.0000000000000000 0.4615153200000000 0.6666666700000000 0.3333333300000000 0.5641038199999999 0.3333333300000000 0.6666666700000000 0.5384434700000000 0.0000000000000000 0.0000000000000000 0.5128275700000000 0.6666666700000000 0.3333333300000000 0.9487083200000000 0.3333333300000000 0.6666666700000000 0.8205091500000000 0.0000000000000000 0.0000000000000000 0.9230888000000000 0.0000000000000000 0.0000000000000000 0.7692327800000001 0.0000000000000000 0.0000000000000000 0.7179205900000001 0.3333333300000000 0.6666666700000000 0.7435811299999999 0.6666666700000000 0.3333333300000000 0.6923045800000001 0.0000000000000000 0.0000000000000000 0.9999862500000000 0.3333333300000000 0.6666666700000000 0.9743255000000000 0.6666666700000000 0.3333333300000000 0.7948486600000000 0.3333333300000000 0.6666666700000000 0.8974371600000000 0.0000000000000000 0.0000000000000000 0.8717768100000001 0.6666666700000000 0.3333333300000000 0.8461609100000000 0.3333333300000000 0.6666666700000000 0.1987254000000000 0.0000000000000000 0.0000000000000000 0.3268904600000000 0.0000000000000000 0.0000000000000000 0.1731285800000000 0.6666666700000000 0.3333333300000000 0.2243408000000000 0.0000000000000000 0.0000000000000000 0.0962005000000000 0.6666666700000000 0.3333333300000000 0.2756523600000000 0.0000000000000000 0.0000000000000000 0.0192726000000000 0.3333333300000000 0.6666666700000000 0.1474127000000000 0.3333333300000000 0.6666666700000000 0.3012783100000000 0.6666666700000000 0.3333333300000000 0.1217972700000000 0.0000000000000000 0.0000000000000000 0.2500565200000000 0.3333333300000000 0.6666666700000000 0.0448692100000000 0.6666666700000000 0.3333333300000000 0.0704846700000000 0.0000000000000000 0.0000000000000000 0.5320587400000000 0.6666666700000000 0.3333333300000000 0.6602237900000000 0.6666666700000000 0.3333333300000000 0.5064619200000000 0.3333333300000000 0.6666666700000000 0.5576741300000000 0.6666666700000000 0.3333333300000000 0.4295338300000000 0.3333333300000000 0.6666666700000000 0.6089856900000000 0.6666666700000000 0.3333333300000000 0.3526059400000000 0.0000000000000000 0.0000000000000000 0.4807460300000000 0.0000000000000000 0.0000000000000000 0.6346116500000001 0.3333333300000000 0.6666666700000000 0.4551306000000000 0.6666666700000000 0.3333333300000000 0.5833898600000000 0.0000000000000000 0.0000000000000000 0.3782025400000000 0.3333333300000000 0.6666666700000000 0.4038180000000000 0.6666666700000000 0.3333333300000000 0.8653920700000000 0.3333333300000000 0.6666666700000000 0.9935571300000000 0.3333333300000000 0.6666666700000000 0.8397952500000000 0.0000000000000000 0.0000000000000000 0.8910074700000000 0.3333333300000000 0.6666666700000000 0.7628671700000000 0.0000000000000000 0.0000000000000000 0.9423190200000000 0.3333333300000000 0.6666666700000000 0.6859392700000000 0.6666666700000000 0.3333333300000000 0.8140793700000000 0.6666666700000000 0.3333333300000000 0.9679449800000000 0.0000000000000000 0.0000000000000000 0.7884639300000000 0.3333333300000000 0.6666666700000000 0.9167231900000000 0.6666666700000000 0.3333333300000000 0.7115358700000001 0.0000000000000000 0.0000000000000000 0.7371513400000000vasp-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