[QE-users] different eigenvalues results for PW/example08 in QE7.1 and QE6.7

[Mahmoud Payami Shabestari]

Dear QE Developers,



Hi.

I noticed that in example08 of PW (DFT+U applied for FeO), the eigenvalues 
in iteration 1 are different depending on using QE-6.7 or Qe-7.1. For 
example, in QE-6.7 the non-degenerate eigenvalue is for m=0, (the third one) 
while it is for m=2 (the fifth one) in QE-7.1.

But the final results for E_tot are similar. 

I would highly appreciate if somebody please provide comments on this issue.



With best regards,

Mahmoud Payami



NSTRI, AEOI, Tehran, Iran

Email: mpayami at aeoi.org.ir

Phone: +98 (0)21 82066504
--------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20220810/427ccb29/attachment.html>