Dear All, I ran an 'scf ' calculation that did not converge after 100 iterations.? Perhaps this is the maximum number allowed in the code. ?Please how do I make it to run over more than 100 iteration?.?
Thanks Chukwuemeka Okoye ? ========= Chukwuemeka M I Okoye Department of Physics and Astronomy, University of Nigeria, Nsukka. Enugu State, NIGERIA. Phone: +234-7038766990 +234-8053310658 E-mail: okoyecmi at yahoo.com, cmi.okoye at unn.edu.ng -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131107/938d04a8/attachment.html
