<commit_before># Default VASP settings for calculations in the Materials Project
# using the Strongly Constrained and Appropriately Normed (SCAN)
# functional.
PARENT: VASPIncarBase
INCAR:
  ALGO: ALL
  ADDGRID: True
  EDIFF: 1.e-05
  EDIFFG: -0.02
  ENCUT: 680
  IBRION: 2
  ICHARG: 2
  ISIF: 3
  ISPIN: 2
  LORBIT: 11
  LASPH: True
  LREAL: False
  LMIXTAU: True
  LCHARG: True  # Output CHGCAR
  LAECHG: True  # Output AECCAR
  LELF: True  # Output ELFCAR
  LVTOT: True # Output LOCPOT
  METAGGA: SCAN
  NELM: 200
  NSW: 99
  PREC: Accurate
POTCAR_FUNCTIONAL: PBE_54
POTCAR:
  Ac: Ac
  Ag: Ag
  Al: Al
  Ar: Ar
  As: As
  Au: Au
  B: B
  Ba: Ba_sv
  Be: Be_sv
  Bi: Bi
  Br: Br
  C: C<commit_msg>LWAVE False, remove ICHARG<commit_after># Default VASP settings for calculations in the Materials Project
# using the Strongly Constrained and Appropriately Normed (SCAN)
# functional.
PARENT: VASPIncarBase
INCAR:
  ALGO: ALL
  ADDGRID: True
  EDIFF: 1.e-05
  EDIFFG: -0.02
  ENCUT: 680
  IBRION: 2
  ISIF: 3
  ISPIN: 2
  LORBIT: 11
  LASPH: True
  LREAL: False
  LMIXTAU: True
  LCHARG: True  # Output CHGCAR
  LAECHG: True  # Output AECCAR
  LELF: True  # Output ELFCAR
  LWAVE: False # Don't output WAVECAR
  LVTOT: True # Output LOCPOT
  METAGGA: SCAN
  NELM: 200
  NSW: 99
  PREC: Accurate
POTCAR_FUNCTIONAL: PBE_54
POTCAR:
  Ac: Ac
  Ag: Ag
  Al: Al
  Ar: Ar
  As: As
  Au: Au
  B: B
  Ba: Ba_sv
  Be: Be_sv
  Bi: Bi
  Br: Br
  C: C
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