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<font face="Calibri,Helvetica,sans-serif,EmojiFont,Apple Color Emoji,Segoe UI Emoji,NotoColorEmoji,Segoe UI Symbol,Android Emoji,EmojiSymbols" size="2"><span style="font-size: 16px;">I am trying to run a <b>vc-relax</b> calculation for CoPS3 in bulk with the
Hubbard U parameter. CoPS3 results in off-lattice parameters without Hubbard U. I checked it with VASP, and it seems realistic. However, in QE, the Hubbard U parameter has no effect on the lattice parameter. It remains off with or without U. I can see the
Hubbard effect in forces in the output file, but it does not reflect on the lattice parameter in QE output.</span></font></div>
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<font face="Calibri,Helvetica,sans-serif,EmojiFont,Apple Color Emoji,Segoe UI Emoji,NotoColorEmoji,Segoe UI Symbol,Android Emoji,EmojiSymbols" size="2"><span style="font-size: 16px;">I want to predict the self-consistent Hubbard parameter using HP code. It
does not make sense if I do not get the inclusion of the U parameter right in the first place. I used <b>QE versions 6.4.1, 6.7, and 7.0</b> and various convergence strategies, but the structure remains the same. </span></font></div>
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<font face="Calibri,Helvetica,sans-serif,EmojiFont,Apple Color Emoji,Segoe UI Emoji,NotoColorEmoji,Segoe UI Symbol,Android Emoji,EmojiSymbols" size="2"><span style="font-size: 16px;">Could anyone please suggest anything wrong with the calculation? Please find
one of the input and output files in the attached link. </span></font></div>
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