<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
<style type="text/css" style="display:none;"> P {margin-top:0;margin-bottom:0;} </style>
</head>
<body dir="ltr">
<div style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">
</div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">
<div style="margin:0px; font-size:12pt; font-family:Calibri,Arial,Helvetica,sans-serif,serif,EmojiFont; background-color:rgb(255,255,255)">
Dear QE experts,</div>
<div style="margin:0px; font-size:12pt; font-family:Calibri,Arial,Helvetica,sans-serif,serif,EmojiFont; background-color:rgb(255,255,255)">
<span style="margin:0px">I want to generate metallic glasses through qe. I am using the md calculation in the pw.x module. It consists of three processes, calculating 5000 steps in the case of 1500 K, reducing the system temperature by 500 K every 20 steps,
a total of 30,000 steps, and finally calculating 5000 steps at 300 K.<br>
</span>
<div style="margin:0px">One question is how to link these three processes. I don't know how to import the 1500 K calculation results into the cooling process for calculation. Similarly, the second process to the third process has similar problems.<br>
</div>
<div style="margin:0px">In the cp.x module, I found the AUTOPILOT function. This feature allows for temperature changes during the simulation.<br>
</div>
<div style="margin:0px">
<pre style="font-size:14px; background-color:rgb(255,255,255)">AUTOPILOT
on_step = 31 : dt = 5.0
on_step = 91 : iprint = 100
on_step = 91 : isave = 100
on_step = 191 : ion_dynamics = 'damp'
on_step = 191 : electron_damping = 0.00
on_step = 691 : ion_temperature = 'nose'
on_step = 691 : tempw = 150.0
ENDRULES</pre>
<br>
</div>
<div style="margin:0px">However, the md calculation in the pw.x module does not have the corresponding function. Therefore, I would like to ask if you have any solutions?<br>
</div>
<span style="margin:0px">thank you all!<span title="::" style="margin:0px">😄</span></span></div>
<br>
</div>
</body>
</html>