Dear PWSCF users, I have came across an error while using hybrid XC functional as Input_dft = "PBE0" using ultrasoft psedopotentials of PBE for C,H,N,S atoms. Job terminated with an error "HYBRID XC not implemented for USPP or PAW".
For the same I could able to run my job with hybrid XC functional Input_dft = "B3LYP" using norm conservative pseudopotentials. Can any one please say me can't we implement hybrid XC functional for ultrsoft pseudo potentials. -- *With Regards*, B.Priyanka, Research Scholar, Computational Chemistry, IICT,Habsiguda, India. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110526/eefb1cb6/attachment.htm