<html><head>
<meta http-equiv="Content-Type" content="text/html; charset=Windows-1252">
</head>
<body>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">Hello <br>
</div>
<div class="moz-cite-prefix">I guess this is the variation of the
potential energy of the external field; that is the work done by
the external forces with the opposite sign. <br>
</div>
<div class="moz-cite-prefix">If you have started the relaxation from
a minimum of the internal forces, the external work should be
positive and the change in the external potential energy negative.
<br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">best regards <br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">Pietro <br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 10/13/21 12:04 AM, Ronald Cohen
wrote:<br>
</div>
<blockquote type="cite" cite="mid:ab59b11a-87f1-4c57-9524-990647176699@Spark">
<title></title>
<div name="messageBodySection">
<div dir="auto">I am unclear about the External forces energy
when adding additional ATOMIC_FORCES. In my case these are
from an external electric field. It seems to me the energy
should go up when you add external forces, not down, and yet I
get<br>
<br>
External forces energy = -0.00347627 Ry<br>
<br>
Can anyone explain the logic? <br>
<br>
Thanks,<br>
<br>
Sincerely,<br>
<br>
Ron<br>
</div>
</div>
<div name="messageSignatureSection"><br>
<div class="matchFont">
<div style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0);
font-family: Helvetica; font-size: 12px; orphans: 2;
text-align: -webkit-auto; widows: 2; font-variant-ligatures:
normal; font-variant-east-asian: normal;
font-variant-position: normal; line-height: normal;
word-wrap: break-word; -webkit-nbsp-mode: space; line-break:
after-white-space;">---</div>
<div style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0);
font-family: Helvetica; font-size: 12px; orphans: 2;
text-align: -webkit-auto; widows: 2; font-variant-ligatures:
normal; font-variant-east-asian: normal;
font-variant-position: normal; line-height: normal;
word-wrap: break-word; -webkit-nbsp-mode: space; line-break:
after-white-space;">Ronald Cohen</div>
<div style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0);
font-family: Helvetica; font-size: 12px; orphans: 2;
text-align: -webkit-auto; widows: 2; font-variant-ligatures:
normal; font-variant-east-asian: normal;
font-variant-position: normal; line-height: normal;
word-wrap: break-word; -webkit-nbsp-mode: space; line-break:
after-white-space;">Extreme Materials Initiative<br>
Carnegie Institution for Science<br>
5251 Broad Branch Rd., N.W.<br>
Washington, D.C. 20015<br>
<a href="mailto:rcohen@carnegiescience.edu" moz-do-not-send="true">rcohen@carnegiescience.edu</a><br>
office: 202-478-8937<br>
skype: ronaldcohen</div>
<div style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0);
font-family: Helvetica; font-size: 12px; orphans: 2;
text-align: -webkit-auto; widows: 2; font-variant-ligatures:
normal; font-variant-east-asian: normal;
font-variant-position: normal; line-height: normal;
word-wrap: break-word; -webkit-nbsp-mode: space; line-break:
after-white-space;">twitter: <span style="text-align:
-webkit-auto;">@</span><span style="text-align:
-webkit-auto;">recohen3</span></div>
</div>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<pre class="moz-quote-pre" wrap="">_______________________________________________
Quantum ESPRESSO is supported by MaX (<a class="moz-txt-link-abbreviated" href="http://www.max-centre.eu">www.max-centre.eu</a>)
users mailing list <a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>
<a class="moz-txt-link-freetext" href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a></pre>
</blockquote>
<p><br>
</p>
</body>
</html>