<div dir="ltr">Dear Roberto,<div><br></div><div>In the output pw.x prints the line</div><div><br></div><div>"Forces acting on atoms (Ry/au):"<br></div><div><br></div><div>explicitly telling you the units for forces.</div>
<div><br></div><div>Best,</div><div>Andrei</div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Tue, Dec 24, 2013 at 4:37 PM, Roberto G. A. Veiga <span dir="ltr"><<a href="mailto:raveiga@yahoo.com" target="_blank">raveiga@yahoo.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">


<div><div style="font-size:12pt;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif"><div>Dear colleagues,</div><div><br></div><div style="font-style:normal;font-size:16px;background-color:transparent;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif">
could anyone tell me please what are the units of the forces output by PWscf? I guess the forces are in atomic units, but I have to know that for sure because, if so, I will have to convert them to eV/Angs.</div><div style="font-style:normal;font-size:16px;background-color:transparent;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif">
<br></div><div style="font-style:normal;font-size:16px;background-color:transparent;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif">Best regards,</div><div style="font-style:normal;font-size:16px;background-color:transparent;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif">
<br></div><div style="font-style:normal;font-size:16px;background-color:transparent;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif">Roberto Veiga</div><div style="font-style:normal;font-size:16px;background-color:transparent;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif">
Department of Materials Engineering<br></div><div style="font-style:normal;font-size:16px;background-color:transparent;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif">University of São Paulo, Brazil</div>
<div style="font-style:normal;font-size:16px;background-color:transparent;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif"><br></div><div style="font-style:normal;font-size:16px;background-color:transparent;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif">
PS.: Merry Christmas, everybody!</div></div></div><br>_______________________________________________<br>
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