On Tue, 2014-06-24 at 17:25 +0200, Paolo Giannozzi wrote: > On Tue, 2014-06-24 at 19:47 +0600, Khalid Ibne Masood Khalid wrote: > > > Error in routine stop_exx (1): > > dft is not hybrid, wrong call > > remove line > exxdiv_treatment = 'gygi-baldereschi' > it is meaningless except for hybrid functionals
well, it is meaningless, but it is not the problem. Option "pot_extrapolation='none'" is the problem: it has a bug that will be fixed soon. In the meantime, use pot_extrapolation='atomic', or nothing (default is 'atomic') P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
