Dear all, I am trying to perform a PBE0 calculation with PAWs in QE 5.0. However, I get the error messages
task # 2 from setup : error # 1 HYBRID XC not implemented for USPP or PAW and task # 6 from setup : error # 1 HYBRID XC not implemented for USPP or PAW Can any body confirm that this combination is indeed not implemented? Or is this error rather a results of some mistakes in my input files? If the combination PBE0+PAW is not possible in the current version of QE, are there any possibilities to use any hybrid functional together with PAW? best wishes, F. Liu TU Munich -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120827/ceba633c/attachment.htm