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<p>> <span style="font-family: Calibri, Arial, Helvetica, sans-serif, serif, EmojiFont; font-size: 12pt;">forces for this U_projection_type not implemented</span></p>
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<p><font face="Calibri, Arial, Helvetica, sans-serif, serif, EmojiFont" size="3">In QE 6.4, the DFT+U
</font><font face="Calibri, Arial, Helvetica, sans-serif, serif, EmojiFont">forces</font><font face="Calibri, Arial, Helvetica, sans-serif, serif, EmojiFont" size="3"> are not implemented with the ortho-atomic projectors. But it is implemented in the recent
versions of QE, please try the latest version (7.2).</font></p>
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<p><font face="Calibri, Arial, Helvetica, sans-serif, serif, EmojiFont" size="3">HTH</font></p>
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<p><font face="Calibri, Arial, Helvetica, sans-serif, serif, EmojiFont" size="3">Iurii</font></p>
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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 NAIMI SALMA <salma_naimi@um5.ac.ma><br>
<b>Sent:</b> Friday, May 12, 2023 1:21:36 PM<br>
<b>To:</b> users@lists.quantum-espresso.org<br>
<b>Subject:</b> [QE-users] Why I get the message forces for this U_projection_type not implemented ?</font>
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Dear users and experts,</div>
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I'm working with QE 6.4 .</div>
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I did a vc-relax calculation with GGA+U by adding in the input the following variables:</div>
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lda_plus_u = .true.
<div class="ContentPasted0"> lda_plus_u_kind = 0</div>
<div class="ContentPasted0"> u_projection_type = 'ortho-atomic'</div>
<div class="ContentPasted0 elementToProof"> Hubbard_u(1)= 6</div>
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<div class="ContentPasted0 elementToProof">After 14 iterations the calculation stops and I get the following message in the output:</div>
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<div class="ContentPasted0 elementToProof ContentPasted1"> Error in routine force_hub (1):
<div class="ContentPasted1 elementToProof"> forces for this U_projection_type not implemented</div>
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<div class="ContentPasted1 elementToProof">How can I fix this issue please?</div>
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Salma NAIMI - PhD student</div>
<span class="x_elementToProof ContentPasted2" style="font-family: Calibri, Arial, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);">Mohamed 5 University - Rabat</span><br>
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