(1 1 0 0 0) is fine, or at least consistent with SLA PZ recently a new level of XC complexity has been added with the van der Waals explicitely non local functionals... if this term is absent the fifth digit is 0
stefano On 09/25/2012 10:00 AM, Sonu Kumar wrote: > Hi, > > In your output, i noticed > > Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0) > i think it should be (1100) not (11000)? > > > regards, > sk > ========================================== > S. Kumar > Phd Student,Physics Department > Indian Institute of Technology ,Delhi-110016, India > web:-http://www.iitd.ac.in/ > ========================================== > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120925/aab92b8c/attachment.htm
