[Pw_forum] B3LYP

Nany yanaris.garcia at gmail.com
Wed Jan 13 14:16:28 CET 2010


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 


More information about the Pw_forum mailing list