LSORBIT=True
Posted: Tue Aug 14, 2007 3:43 pm
Hi all,
I am trying to optimise pb3 with LSORBIT=true and PAW potentials. The calculation stops after finishing the first ionic step.
what might be the problem.
I will send the files if required otherwise
thanx in advance,
rajesh
I am trying to optimise pb3 with LSORBIT=true and PAW potentials. The calculation stops after finishing the first ionic step.
what might be the problem.
I will send the files if required otherwise
thanx in advance,
rajesh