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<p style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;">Dear QE users,</p>
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<p style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;">I would like to perform geometry optimizations constraining the spin density on certain atoms in a system. </p>
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<p style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;">From what I have read in some published works, there is an available implementation of constrained DFT in Quantum Espresso. However, I am not able to find in the documentation any information
regarding this type of calculation.</p>
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<p style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;">In this regard, <span style="font-size: 12pt;">I would be very thankful if anyone could help me in setting a constrained DFT calculation in Quantum Espresso.</span></p>
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<p style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;">Best regards,</p>
<p style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;">Valentin</p>
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<font size="2"><font face="Segoe UI,sans-serif,serif,EmojiFont" color="#7F7F7F">Valentin Vassilev Galindo</font></font></div>
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<font size="2"><font face="Segoe UI,sans-serif,serif,EmojiFont" size="2" color="#7F7F7F"><span style="font-size:9pt">Research and Development Specialist</span></font><font face="Segoe UI,sans-serif,serif,EmojiFont" size="2" color="#444444"><span style="font-size:10pt"><br>
</span></font><font face="Segoe UI,sans-serif,serif,EmojiFont" size="2" color="#7F7F7F"><span style="font-size:9pt">Department of Physics and Materials Science</span></font><font face="Segoe UI,sans-serif,serif,EmojiFont" size="2" color="#444444"><span style="font-size:9pt"><br>
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<font size="2"><font face="Segoe UI,sans-serif,serif,EmojiFont" size="2"><span id="LPNoLP" style="font-size:9pt">valentin.vassilev@uni.lu</span></font><font face="Segoe UI,sans-serif,serif,EmojiFont" size="2" color="#7F7F7F"><span style="font-size:9pt"> / </span></font><a href="http://www.uni.lu/" target="_blank" rel="noopener noreferrer" id="LPNoLP"><font face="Segoe UI,sans-serif,serif,EmojiFont" size="2"><span id="LPNoLP" lang="en-US" style="font-size:9pt">www.uni.lu</span></font></a><font face="Segoe UI,sans-serif,serif,EmojiFont" size="2" color="#7F7F7F"><span lang="en-US" style="font-size:9pt"> / </span></font><font face="Segoe UI,sans-serif,serif,EmojiFont" size="2"><span id="LPNoLP" lang="en-US" style="font-size:9pt"><a href="http://www.tcpunilu.com/" target="_blank" rel="noopener noreferrer" id="LPNoLP">www.tcpunilu.com</a></span></font></font></div>
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