[Pw_forum] diagonalization ZHEGV

Guda Karthik karthik.guda at gmail.com
Mon Aug 2 08:11:21 CEST 2010

I am also new to QE. But in my limited use, I found that this error appears
when you have two jobs running with the same outdir (see .in file). If you
specify different outdirs, you can avoid this error.


On Sun, Aug 1, 2010 at 11:04 PM, mayank gupta <mayankaditya at gmail.com>wrote:

> Dear QE users
> I am new in this fiel. I am doing calculation for ZrO2. during the scf
> calculation i get erro like "diagonalization ZHEGV failed . ihave
> check my structure it is correct. I have aslo read the manual and try
> all possible thing suggetsted in manual can any body tell me how to
> resolve the problem.
> --
> Mayank kumar gupta
> Contact No- 9869834437
>                  8097400037
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Karthik Guda
Graduate Student
Materials Engineering
Purdue University
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