[QE-users] Ensemble_DFT simulation

KRISHNENDU MUKHERJEE krishnendu at nmlindia.org
Fri Sep 23 09:22:04 CEST 2022



Dear expert, 




When I practised the example 08 given in CPV/examples, I got the note: 

NOTE : eigenvalues are not computed without ortho 

And the reported eigenvalues are all zeros. 




However, in the given reference output the note is not there. Also, the eigen values are non-zero. 



Please suggest to solve the problem. 



Thank you, 

Best regards, Krishnendu 


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