# Default VASP settings for calculations in the Materials Project
# using the Regularized-Restored Strongly Constrained and Appropriately
# Normed functional (r2SCAN).
PARENT: PBE64Base
INCAR:
  ALGO: Normal
  EDIFF: 1.e-05
  EDIFFG: -0.02
  ENAUG: 1360
  ENCUT: 680
  GGA_COMPAT: False
  IBRION: 2
  ISIF: 3
  ISMEAR: 0 # included to have some reasonable default
  ISPIN: 2
  KSPACING: 0.22 # included to have some reasonable default
  LAECHG: True
  LASPH: True
  LCHARG: True
  LELF: False # LELF = True restricts calculation to KPAR = 1
  LMAXMIX: 6 # per benchmark
  LMIXTAU: True
  LORBIT: 11
  LREAL: False # per benchmark
  LVTOT: True
  LWAVE: False
  METAGGA: R2SCAN
  NELM: 200
  NSW: 99
  PREC: Accurate
  SIGMA: 0.05 # included to have some reasonable default
