Hello,
I currently ran a calculation using the elastic band method, but it seems that the first image's calculations finished before the others which we believe caused the other images to quit. The program continued running, but nothing was being calculated. My INCAR file is
PREC = Normal
IBRION = 2
NSW = 300
ISIF = 2
NELM = 200
NELMIN = 2
ENCUT = 250.0
EDIFF = 1.0e-04
EDIFFG = 1.0e-03
GGA = PE
ISTART = 0
ICHARG = 2
LWAVE = .True.
LCHARG = .True.
IALGO = 38
LREAL = Auto
ISMEAR = 1
Sigma = 0.05
IMAGES = 8
NPAR = 4
Any ideas?
Elastic Band Method problem
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Elastic Band Method problem
Last edited by nate84 on Wed Jul 06, 2011 9:41 pm, edited 1 time in total.
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Re: Elastic Band Method problem
Hi,
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