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Apparently, my input parameters are not good for geometry relaxation of 2D materials using VASP.

EDIFFG = 1E-2
ISMEAR = 0
SIGMA = 0.05

ENCUT = 337

NSW = 100
ISIF = 3
IBRION = 2

#SCAN-RVV10
METAGGA  = SCAN
LUSE_VDW = .TRUE.
BPARAM = 15.7
LASPH = .TRUE.

NPAR = 32
KPAR = 12

What am I doing wrong? Is ISIF=3 not a good idea for 2D materials? Or is it impossible to use implemented geometry optimization procedures for 2D materials with VASP?

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Fix c-axis and ISIF = 3 can be used to optimize monolayer.

how to fix c-axis see following link: https://mattermodeling.stackexchange.com/a/4656/3331

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