[Pw_forum] A question

Xiangmei Duan duanxm at ts.infn.it
Wed Jun 23 16:48:21 CEST 2004


Dear all,

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

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...

Any advice ?

Thanks in advance,
best regards,
XM



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