[Pw_forum] query on e-ph tutorial

Ajit Vallabhaneni avallabh at purdue.edu
Mon Jan 30 15:47:52 CET 2012


Dear Paolo,

                Sorry for sending my response to your personal email. I didn't see it before.Here is my question.

             I tried example 7 with the same parameters given. But the al.elph.in (with nq1=nq2=nq3=4) was terminated with the following message: 


Band Structure Calculation
     Davidson diagonalization with overlap

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from cdiaghg : error #        19
     diagonalization (ZHEGV*) failed
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...


        Is this because of the small mesh size (16x16x16)?

Thanks
Ajit


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