On Tue, Apr 12, 2011 at 2:52 AM, Stefano de Gironcoli <degironc at sissa.it> wrote: > change the format statements in electrons (label? 9060 and the like) and > converge energy accordingly. Is this true? This solution will give you number of digits but how about the accuracy as Shyam asked? Due to the numerical error, I don't think we can get that accuracy. BTW, you need also to set all convergence categories to 1.0D-10 at least. > however ... why do you need more than 10 digits ? Perhaps to calculate Lamb Shift :) >
-------------------------------------------------- Duy Le PhD Student Department of Physics University of Central Florida. "Men don't need hand to do things" > > On 04/12/2011 08:43 AM, Shyam Khambholja wrote: > > Dear all, > > I want to calculate total energy of compounds with accuarcy upto tenth digit > after decimal point. what should I need to edit ? > > with thanks, > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > >
