Dear Giannozzi, Thank you very much. Actually, this warning not only show up at the beginning, also after the pseudo potential generated. " ------------------- End of pseudopotential generation -------------------
warning: wfc 5 2 not converged warning: wfc 5 1 not converged warning: wfc 4 3 not converged warning: wfc 5 2 not converged warning: wfc 6 0 not converged warning: wfc 6 1 not converged --------------------------- All-electron run ---------------------------- " By the way, How can I check whether the wavefunctions are sufficiently localized or not. And I did not get the line "eps = 3.2E-16 iter = 36" Regards, Gao Min -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110119/4a03dc7b/attachment.htm