Thank you sir, Thank you very much for your reply. Yes it is working right now.
On 6/24/14, Paolo Giannozzi <paolo.giannozzi at uniud.it> wrote: > 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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
