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i want to calculate the barrier of H2O dissociation on metals.
but calculation became divergence

here is my settings.

IDIPOL = 3

IMAGES = 3
SPRING = -5
LCLIMB = .TRUE.

ENCUT = 400
PREC = Normal
EDIFF = 2E-04
IBRION = 3

POTIM = 0.01
ISIF = 2
EDIFFG = -.03


please, check my settings
thank you

<span class='smallblacktext'>[ Edited ]</span>

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