# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/0b6edc80-58e4-4cae-bc94-d6f2095a0e0e/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 571286](https://mdr.nims.go.jp/datasets/307cd79f-770d-4aa8-afd7-30a82bf1c7a9)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     7     7     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  36</c><c>Si</c><c>     28.08500000</c><c>      4.00000000</c><c>  PAW_PBE Si 05Jan2001                  </c></rc>    <rc><c>  36</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     3.0806711800000000    0.0000000000000000    0.0000000000000000    -1.5403355800000000    2.6679395000000001    0.0000000000000000     0.0000000000000000    0.0000000000000000   90.6795545300000043 Si C  36  36Direct   0.0000000000000000  0.0000000000000000  0.8333325499999999   0.6666666700000000  0.3333333300000000  0.3889041600000000   0.3333333300000000  0.6666666700000000  0.0833703800000000   0.0000000000000000  0.0000000000000000  0.5833310300000000   0.3333333300000000  0.6666666700000000  0.6388782700000000   0.6666666700000000  0.3333333300000000  0.7222119499999999   0.3333333300000000  0.6666666700000000  0.1944500800000000   0.3333333300000000  0.6666666700000000  0.6944633700000000   0.6666666700000000  0.3333333300000000  0.2222373600000000   0.3333333300000000  0.6666666700000000  0.8611293500000000   0.0000000000000000  0.0000000000000000  0.3333676800000000   0.3333333300000000  0.6666666700000000  0.9722092200000000   0.6666666700000000  0.3333333300000000  0.4722388100000000   0.3333333300000000  0.6666666700000000  0.3611167100000000   0.0000000000000000  0.0000000000000000  0.1667017000000000   0.3333333300000000  0.6666666700000000  0.8055451499999999   0.3333333300000000  0.6666666700000000  0.5277888500000000   0.6666666700000000  0.3333333300000000  0.8888779700000000   0.6666666700000000  0.3333333300000000  0.9444616000000000   0.0000000000000000  0.0000000000000000  0.5000373700000000   0.6666666700000000  0.3333333300000000  0.7777966500000000   0.0000000000000000  0.0000000000000000  0.4444509500000000   0.0000000000000000  0.0000000000000000  0.2777832100000000   0.0000000000000000  0.0000000000000000  0.9166650100000000   0.6666666700000000  0.3333333300000000  0.0555737600000000   0.6666666700000000  0.3333333300000000  0.6111291200000000   0.6666666700000000  0.3333333300000000  0.3055705100000000   0.6666666700000000  0.3333333300000000  0.1389048700000000   0.0000000000000000  0.0000000000000000  0.6666658400000001   0.3333333300000000  0.6666666700000000  0.4167016100000000   0.0000000000000000  0.0000000000000000  0.9999955000000000   0.0000000000000000  0.0000000000000000  0.1111182100000000   0.6666666700000000  0.3333333300000000  0.5555425100000000   0.3333333300000000  0.6666666700000000  0.2500344200000000   0.0000000000000000  0.0000000000000000  0.7499994999999999   0.3333333300000000  0.6666666700000000  0.0277913100000000   0.0000000000000000  0.0000000000000000  0.2569489500000000   0.0000000000000000  0.0000000000000000  0.7291056000000000   0.3333333300000000  0.6666666700000000  0.6180437700000000   0.0000000000000000  0.0000000000000000  0.4236161200000000   0.6666666700000000  0.3333333300000000  0.5347085700000000   0.6666666700000000  0.3333333300000000  0.8680437000000000   0.6666666700000000  0.3333333300000000  0.5902947000000001   0.3333333300000000  0.6666666700000000  0.1736161000000000   0.0000000000000000  0.0000000000000000  0.5624365800000000   0.6666666700000000  0.3333333300000000  0.7013777700000000   0.0000000000000000  0.0000000000000000  0.8957714100000000   0.6666666700000000  0.3333333300000000  0.2846767500000000   0.0000000000000000  0.0000000000000000  0.0902843100000000   0.6666666700000000  0.3333333300000000  0.2013436000000000   0.0000000000000000  0.0000000000000000  0.4792017700000000   0.6666666700000000  0.3333333300000000  0.1180114500000000   0.6666666700000000  0.3333333300000000  0.9236280100000001   0.3333333300000000  0.6666666700000000  0.0069636200000000   0.6666666700000000  0.3333333300000000  0.7569626500000000   0.0000000000000000  0.0000000000000000  0.8124386900000000   0.6666666700000000  0.3333333300000000  0.3680103500000000   0.3333333300000000  0.6666666700000000  0.9513759800000000   0.0000000000000000  0.0000000000000000  0.1458677700000000   0.3333333300000000  0.6666666700000000  0.3958675100000000   0.0000000000000000  0.0000000000000000  0.6457720000000000   0.3333333300000000  0.6666666700000000  0.8402957400000000   0.3333333300000000  0.6666666700000000  0.5069478300000000   0.3333333300000000  0.6666666700000000  0.3402821900000000   0.3333333300000000  0.6666666700000000  0.0625370300000000   0.3333333300000000  0.6666666700000000  0.2292004100000000   0.3333333300000000  0.6666666700000000  0.6736291999999999   0.6666666700000000  0.3333333300000000  0.4513442900000000   0.3333333300000000  0.6666666700000000  0.7847109600000000   0.0000000000000000  0.0000000000000000  0.9791036900000000   0.6666666700000000  0.3333333300000000  0.0346806900000000   0.0000000000000000  0.0000000000000000  0.3125337300000000vasp-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