<html xmlns:v="urn:schemas-microsoft-com:vml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40"><head><meta http-equiv=Content-Type content="text/html; charset=us-ascii"><meta name=Generator content="Microsoft Word 12 (filtered medium)"><style><!--
/* Font Definitions */
@font-face
{font-family:"Cambria Math";
panose-1:2 4 5 3 5 4 6 3 2 4;}
@font-face
{font-family:Calibri;
panose-1:2 15 5 2 2 2 4 3 2 4;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0cm;
margin-bottom:.0001pt;
font-size:12.0pt;
font-family:"Times New Roman","serif";}
a:link, span.MsoHyperlink
{mso-style-priority:99;
color:blue;
text-decoration:underline;}
a:visited, span.MsoHyperlinkFollowed
{mso-style-priority:99;
color:purple;
text-decoration:underline;}
span.EmailStyle17
{mso-style-type:personal-compose;
font-family:"Arial","sans-serif";
color:black;}
.MsoChpDefault
{mso-style-type:export-only;}
@page WordSection1
{size:595.3pt 841.9pt;
margin:72.0pt 90.0pt 72.0pt 90.0pt;}
div.WordSection1
{page:WordSection1;}
--></style><!--[if gte mso 9]><xml>
<o:shapedefaults v:ext="edit" spidmax="1026" />
</xml><![endif]--><!--[if gte mso 9]><xml>
<o:shapelayout v:ext="edit">
<o:idmap v:ext="edit" data="1" />
</o:shapelayout></xml><![endif]--></head><body bgcolor=white background="cid:image001.jpg@01CD6863.63C2E360" lang=EN-US link=blue vlink=purple><img src="cid:image001.jpg@01CD6863.63C2E360" v:src="cid:image001.jpg@01CD6863.63C2E360" v:shapes="_x0000_Mail" width=0 height=0 class=shape style='display:none;width:0;height:0'><div class=WordSection1><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Arial","sans-serif";color:black'>Hello<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Arial","sans-serif";color:black'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Arial","sans-serif";color:black'>cp.x is printing an Etot at the end of the run (in my case something like -47 Ha). Taking its state at the end of the run, i.e. ions positions and charge density, as an input to pw.x (admittedly with a different pseudopotential) I am getting a "total energy" differing by an order of magnitude (in my case -800 Ry).<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Arial","sans-serif";color:black'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Arial","sans-serif";color:black'>I guess that these two quantities are supposed to be somehow related, so what are they representing and why are they so different ? <o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Arial","sans-serif";color:black'><o:p> </o:p></span></p><div><p class=MsoNormal><i><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:blue'>---------------------------------------------------<o:p></o:p></span></i></p><p class=MsoNormal><i><span style='font-family:"Calibri","sans-serif";color:black'>Sylvian Kahane</span></i><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:black'> <o:p></o:p></span></p><p class=MsoNormal><i><span style='font-family:"Calibri","sans-serif";color:black'>Nuclear Research Center - Negev<o:p></o:p></span></i></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:black'>P.O.Box 9001, Beer-Sheva, 84190<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:black'>Israel<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:black'>Physics Dept. fax: 972-8656-7878<o:p></o:p></span></p><p class=MsoNormal><i><span style='color:black'>email: <a href="mailto:skahane@bgumail.bgu.ac.il"><span style='color:blue'>sylviankahane@gmail.com</span></a></span></i><i><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:blue'><o:p></o:p></span></i></p><p class=MsoNormal><i><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:blue'>---------------------------------------------------<o:p></o:p></span></i></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:black'><o:p> </o:p></span></p></div><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Arial","sans-serif"'><o:p> </o:p></span></p></div></body></html>