Thank you Prof. Stefano de Gironcoli for this information. But, the confusion arose because there was not "character" keyword corresponding to vander Waals functional, like we have SLA, PZ, NOGX, NOGC for exchange, correlation terms ....etc.
with regards, SK ========================================== S. Kumar Phd Student,Physics Department Indian Institute of Technology ,Delhi-110016, India web:-http://www.iitd.ac.in/ ========================================== On Tue, Sep 25, 2012 at 1:40 PM, Stefano de Gironcoli <degironc at sissa.it>wrote: > (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 listPw_forum at > pwscf.orghttp://www.democritos.it/mailman/listinfo/pw_forum > > > > _______________________________________________ > 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/20120925/22d9eedc/attachment-0001.htm
