[Pw_forum] A question

Paolo Giannozzi giannozz at nest.sns.it
Thu Jun 24 09:57:52 CEST 2004


On Wednesday 23 June 2004 16:48, Xiangmei Duan wrote:

> I met a problem when I run the job to do the relax or nscf
> calculation using the newest version (2.0.3).
> (No problem for the very old version 1.0.3)

> Here is the error information:

> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from c_bands : error #         1 
>      too many bands are not converged
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

> Any advice ?

if it used to work, it should still work. Check carefully your input data 

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



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