VASP convergence
Posted: Mon Dec 31, 2007 6:31 am
I gave in the INCAR NSW=500,IBRION=2,EDIFF=1.0E-04 and EDIFFG=-0.010....after completion of the job I must see "writing wave function" in the output file.But instead of that I see sudden termination of the job but in the OUTCAR I saw that my required tollerence was reached.
Now my question is that whys is it so?
and secondly can I take this results as a converged results with the given tollerence value for both force and energy?
if not what should I do to get rid of this?
Please help..
Now my question is that whys is it so?
and secondly can I take this results as a converged results with the given tollerence value for both force and energy?
if not what should I do to get rid of this?
Please help..