I am trying to run r2SCAN calculations for the first time. I ran SCAN calculations on the same structures and they result in almost identical total energies as those in Materials Project. However, when I try to run r2SCAN calculations by changing METAGGA = SCAN to METAGGA = r2SCAN, I get total energy values that are always significantly more positive by several eV than those in Materials Project. I am wondering whether my settings are correct or if I am making some error, so any advice is appreciated! I am attaching my INCAR file here:
ISMEAR = -5
SIGMA = 0.2
NSW = 100
IBRION = 2
ISIF = 3
EDIFFG = -1E-4
PREC = Accurate
ENCUT = 520
NCORE = 20
METAGGA = R2SCAN
ALGO = ALL
LASPH = .TRUE.
LDIAG = .FALSE.
LWAVE = .FALSE.
LCHARG = .FALSE.