because hybrid functionals work together only with norm-conserving pseudopotentials. The PP's you used are Ultrasoft PP's.
Yun-Peng > Date: Mon, 19 Dec 2011 10:30:55 +0530 > From: divyasrivastava at jncasr.ac.in > To: pw_forum at pwscf.org > Subject: [Pw_forum] Fwd: No subject > > > Divya Srivastava > Research Associate > TSU, JNCASR > Jakkur, Bangalore-64 > Tel: 080-2208-2834 > > > --- Original message follows --- > Subject: No subject > From: Divya Srivastava <divyasrivastava at jncasr.ac.in> > To: "pw_forum-request at pwscf.org" <pw_forum-request at pwscf.org> > Date: 19-12-2011 10:03 > > > Hi > I wish to do hybrid DFT on CusScS2 compound. I am not getting proper > potential that I can use. > If I am using "(Cu,Sc,S).pz-n-van_ak.UPF " type of potentials I am getting > following error : > from setup : error # 1 > HYBRID XC not implemented for USPP or PAW > I am using espresso-4.3 for this calculation, pbe0. > > > Divya Srivastava > Research Associate > TSU, JNCASR > Jakkur, Bangalore-64 > Tel: 080-2208-2834 > _______________________________________________ > 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/20111219/fc7149eb/attachment.htm
