[Wien] -eece and -hf switch for hybrid functionals

ali ghafari aaghafari at yahoo.com
Sun Aug 12 15:52:14 CEST 2012


Dear Prof. Blaha and users 


In the page 68 of UG, it has mentioned that for using hybrid functionals such as B3LYP we should use
-hf switch while at the w2web only -eece is possible. Could you please tell me when we select -eece switch
it automatically add -hf switch? or we should only use -hf at the terminal?   

Best Regards
Ali
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120812/eaa66027/attachment.htm>


More information about the Wien mailing list