On Wed, 2006-07-12 at 12:49 -0700, Tianshu Li wrote: > Dear PWSCF users and developers: > > In running post-processing pp.x, I got an error message " from > local_dos : error # 1 > k must be zero" when calculating |psi|^2 for a non-zero K point. > I've searched the code "local_dos.F90" and find that the non-zero K > point does not seem to be allowed. Since there is a "kpoint" keyword in > the input list, I just wonder if the non-zero K point wavefunction > visualization has not been implemented yet. Thanks > You are using lsign=.true.. This option is implemented only at the gamma point.
Andrea > Tianshu Li > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- Andrea Dal Corso Tel. 0039-040-3787428 SISSA, Via Beirut 2/4 Fax. 0039-040-3787528 34014 Trieste (Italy) e-mail: dalcorso at sissa.it