Hello everyone,
When I run a vc-relax calculations and attempt running projwfc, it does not give me the correct charge on the atoms. When I run projwfc on relax calculations (for the same system), however, it works fine. Is there a problem with vc-relax that is not allowing projwfc to work with its outdir files properly? Do I need to run an scf calculation on the vc-relax output before running projwfc? Thanks for any help. -- Izaak Williamson Research Assistant Physics Department Boise State University -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110712/a287eb8f/attachment.htm
