On Saturday 29 April 2006 10:38, Ezad Shojaee wrote: > i am doing vc-relax for TiO2 using symmetry-conserving algorithm > (cell_dynamics='damp-w' ) but still i have this message: > > from checkallsym : error # 5 > not orthogonal operation
if it happens when you restart, it is a known bug (fixed in the CVS version) Paolo -- 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
