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: [email protected] Phone: +98 (0)21 82066504 --------------------------------------------------------
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