Dear all
For first step calculation, we know that the optimization of ecut and kpoint is
necessary . But I use norm conserving pseudopotential? that the check of
convergency with respect to total energy is time consuming. Is any parameter
except total energy that can i put treshold on its convergency or not?
thanks? a lot?
Ali Kazempour
Physics department, Isfahan University of Technology
84156 Isfahan, Iran. Tel-1: +98 311 391 3733
Fax: +98 311 391 2376 Tel-2: +98 311 391 2375
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