[Pw_forum] a small problem

Paolo Giannozzi giannozz at nest.sns.it
Sat Dec 27 14:58:23 CET 2003

On Saturday 27 December 2003 07:51, 贺伟 wrote:

> When I run pw.x to make a relax calculation, in the fourth step 
> of geometry relaxation, there is an error message [...]
>      from linmin : [...] unexpected error
> Would somebody tell me  the possible  reason for this error?

it is explained in the"Troubleshooting" section of the manual.
Currently there is some ongoing work aimed at producing a 
more robust geometry optimizer.


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
*** please note my new phone and fax numbers ***

More information about the users mailing list