<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1">
<style type="text/css" style="display:none;"><!-- P {margin-top:0;margin-bottom:0;} --></style>
</head>
<body dir="ltr">
<div id="divtagdefaultwrapper" style="font-size:12pt;color:#000000;font-family:Calibri,Helvetica,sans-serif;" dir="ltr">
<p style="margin-top:0;margin-bottom:0"></p>
<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 16px; margin-top: 0px; margin-bottom: 0px;">
<font face="Calibri,Helvetica,sans-serif,serif,EmojiFont" size="2"><span style="font-size: 16px;">Dear QE users and experts,</span></font></div>
<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 16px; margin-top: 0px; margin-bottom: 0px;">
<font face="Calibri,Helvetica,sans-serif,serif,EmojiFont" size="2"><span style="font-size: 16px;"><br>
</span></font></div>
<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 16px; margin-top: 0px; margin-bottom: 0px;">
<font face="Calibri,Helvetica,sans-serif,serif,EmojiFont" size="2"><span style="font-size: 16px;">I am using Carl-Parrinalo Molecular Dynamics (cp.x) in Quantum Espresso. I want to quench the wave function to the Born-Oppenheimer surface about every 10,000
MD steps (~1 ps) in order to maintain the adiabaticity. </span></font></div>
<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 16px; margin-top: 0px; margin-bottom: 0px;">
<span style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;"><br>
</span></div>
<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 16px; margin-top: 0px; margin-bottom: 0px;">
<span style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;">How can I do it </span><span style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;">on the fly of the calculation ?</span><br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 16px; margin-top: 0px; margin-bottom: 0px;">
<span style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;">The AUTOPILOT card seems promising but I still do not know which tags I should change during the simulation.</span></div>
<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 16px; margin-top: 0px; margin-bottom: 0px;">
<span style="font-size: 14px; font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;"></span></div>
<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 16px; margin-top: 0px; margin-bottom: 0px;">
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 16px; margin-top: 0px; margin-bottom: 0px;">
<font face="Calibri,Helvetica,sans-serif,serif,EmojiFont" size="2"><span style="font-size: 16px;">I appreciate any help and recommendations<br>
</span></font></div>
<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 16px; margin-top: 0px; margin-bottom: 0px;">
<font face="Calibri,Helvetica,sans-serif,serif,EmojiFont" size="2"><span style="font-size: 16px;"><br>
</span></font></div>
<div style="font-family: Calibri, Helvetica, sans-serif; font-size: 16px; margin-top: 0px; margin-bottom: 0px;">
<font face="Calibri,Helvetica,sans-serif,serif,EmojiFont" size="2"><span style="font-size: 16px;">Best Regards</span></font></div>
<br>
<p></p>
</div>
</body>
</html>