[Pw_forum] norm conserving

[ali kazempour]

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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