Dear all, Is implemented B3LYP+spin polarized calculation in the new version (4.1.2) of ESPRESSO?
Thanks to all Best regard Yanaris Ortega Garcia PhD Student Department of Chemistry-Physics University of Seville -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100113/403bd7be/attachment.htm
