[Pw_forum] Restart error.

[Paolo Giannozzi]

On Friday 10 March 2006 16:06, sir_puding at tut.by wrote:

> Please help me to setup VC-minimization which can be restarted
> (Or tell me where can i read about it).
> When I try to restart my calculation the next error occurs:

>    from checkallsym : error #         1
>    not orthogonal operation

it is a known bug. It is fixed in the CVS version, but only if the 
old file format is used (option -D __OLDPUNCH in preprocessing);
with the new file format there is another problem that prevents
restarting from a variable-cell calculation.

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