On Wednesday 14 September 2005 05:30, sun jason wrote: > when q2r.x begin to run, it crashed, and said "q not allow..." > > what's wrong?
your grid of q points should be something like: (2pi/a)*(1/4)*( I, J*a/b, K*a/c ) with I, J,K integers running from 0 to 3. Is it? I don't think so P. -- Paolo Giannozzi e-mail: giannozz at nest.sns.it Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513 Piazza dei Cavalieri 7 I-56126 Pisa, Italy
