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<p>In example08, after the 1st iteration the eigenvalues are:</p>
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<div>spin 1<br>
eigenvalues:<br>
0.987 0.987 0.997 0.997 0.999</div>
<div>spin 2<br>
eigenvalues:<br>
0.200 0.200 0.335 0.335 0.384</div>
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<p>The non-degenerate eigenvalue is the 5th one (spin 2) and not the 3rd one. That's why in QE7.1 it was corrected to the 5th one while in QE6.7 it was not correct. I presume that in the old versions of the code it was the 3rd one, but then since the code evolves
a lot, there were some changes and the example was not updated.</p>
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<p>Iurii<br>
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<font size="3" face="'Times New Roman', Times, serif" color="808080">--<br>
<span style="font-family:Cambria,Georgia,serif">Dr. Iurii TIMROV</span><br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Mahmoud Payami Shabestari via users <users@lists.quantum-espresso.org><br>
<b>Sent:</b> Wednesday, August 10, 2022 7:23:00 PM<br>
<b>To:</b> users@lists.quantum-espresso.org<br>
<b>Subject:</b> [QE-users] different eigenvalues results for PW/example08 in QE7.1 and QE6.7</font>
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<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: rgba(0, 0, 0, 0) none repeat scroll 0% 0%;">
Dear QE Developers,</div>
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</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: rgba(0, 0, 0, 0) none repeat scroll 0% 0%;">
Hi.</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: rgba(0, 0, 0, 0) none repeat scroll 0% 0%;">
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.</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: rgba(0, 0, 0, 0) none repeat scroll 0% 0%;">
But the final results for E_tot are similar. </div>
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I would highly appreciate if somebody please provide comments on this issue.</div>
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With best regards,</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: rgba(0, 0, 0, 0) none repeat scroll 0% 0%;">
Mahmoud Payami</div>
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NSTRI, AEOI, Tehran, Iran</div>
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Email: mpayami@aeoi.org.ir</div>
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Phone: +98 (0)21 82066504</div>
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