<div dir="ltr"><div>Hi, in Doc/constraints_HOWTO.tex there is some info on how constraints are implemented and how to implement a new one. It's rather old so no warranty it is still valid</div><div><br></div><div>Paolo<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Dec 30, 2021 at 11:05 AM Mahmoud Payami Shabestari via users <<a href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div>
<div style="font-size:16px;font-family:Tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">Hi Everybody.</div>
<div style="font-size:16px;font-family:Tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">Is it possible I define my own constraint and thereby the relevant penalty functional for the pwscf calculations or constraints are limited to the ones listed in DOC?</div>
<div style="font-size:16px;font-family:Tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">Any comment is highly appreciated. </div>
<div style="font-size:16px;font-family:Tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">Mahmoud</div>
<div id="gmail-m_6017395767084510937signature" style="font-size:16px;font-family:Tahoma;color:rgb(0,0,0);font-weight:400;font-style:normal">
<div style="font-family:Tahoma;color:rgb(0,0,0);font-size:16px;font-weight:400;font-style:normal"> </div>
<div style="font-family:Tahoma;color:rgb(0,0,0);font-size:16px;font-weight:400;font-style:normal">---------------------------------------</div>
<div style="font-family:Tahoma;color:rgb(0,0,0);font-size:16px;font-weight:400;font-style:normal">Mahmoud Payami</div>
<div style="font-family:Tahoma;color:rgb(0,0,0);font-size:16px;font-weight:400;font-style:normal">NSTRI, AEOI, Tehran, Iran</div>
<div style="font-family:Tahoma;color:rgb(0,0,0);font-size:16px;font-weight:400;font-style:normal"> </div>
<div style="font-family:Tahoma;color:rgb(0,0,0);font-size:16px;font-weight:400;font-style:normal">Email: <a href="mailto:mpayami@aeoi.org.ir" target="_blank">mpayami@aeoi.org.ir</a></div>
<div style="font-family:Tahoma;color:rgb(0,0,0);font-size:16px;font-weight:400;font-style:normal">Phone: +98 (0)21 82066504</div>
<div style="font-family:Tahoma;color:rgb(0,0,0);font-size:16px;font-weight:400;font-style:normal">--------------------------------------------------------</div>
<div style="font-family:Tahoma;color:rgb(0,0,0);font-size:16px;font-weight:400;font-style:normal"> </div>
</div>
</div>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" rel="noreferrer" target="_blank">www.max-centre.eu</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div><br clear="all"><br>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 206, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div>