[Pw_forum] symmetry problem in vc-relax

[Paolo Giannozzi]

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