<html>
<head>
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
</head>
<body text="#000000" bgcolor="#FFFFFF">
Dear Ehsan,<br>
<br>
which example 5?<br>
Example 5 of the QE-5.0.2 PW, is a calculation of isolated O and Al
atoms.<br>
Example 5 of the QE-5.0.2 PP, is a calculation using LDA+U<br>
<br>
Example 5 of the QE-4.3.2 is the example of Si...<br>
However, I guess that you are using the QE-5.0.2... Maybe something
changed?<br>
<br>
Do you use the "run_example" script?<br>
<br>
Thomas<br>
<br>
<br>
<div class="moz-cite-prefix">On 02/05/2014 05:43 PM, ehsan targholi
wrote:<br>
</div>
<blockquote
cite="mid:CAPDFXGHsHTFTTGW416aXChKnXjqgvvbZ13V9J_9dXkjKubfWrg@mail.gmail.com"
type="cite">
<div dir="ltr">hi
<div>espresso users</div>
<div>i want to obtain the charge density of si in example 5. but
when i use pp.x calculation with &inputpp namelist, after
scf , give this error:</div>
<div><br>
</div>
<div>
<div>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div> Error in routine postproc (1):</div>
<div> reading inputpp namelist</div>
<div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div><br>
</div>
<div> stopping ...</div>
</div>
<div> what is my mistake ? </div>
<div><br>
</div>
<div><br>
</div>
<div>best regard</div>
<div><br>
</div>
<div>ehsan targholi</div>
<div>graduate student of iust</div>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
<pre wrap="">_______________________________________________
Pw_forum mailing list
<a class="moz-txt-link-abbreviated" href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a>
<a class="moz-txt-link-freetext" href="http://pwscf.org/mailman/listinfo/pw_forum">http://pwscf.org/mailman/listinfo/pw_forum</a></pre>
</blockquote>
<br>
<pre class="moz-signature" cols="72">--
Dr. rer. nat. Thomas Brumme
Institut de Minéralogie, de Physique des Matériaux, et de Cosmochimie
Sorbonne Universités - UPMC Univ Paris 06
4 Place Jussieu
75005 Paris
Tel: +33 (0) 1 442 77204
email: <a class="moz-txt-link-abbreviated" href="mailto:Thomas.Brumme@impmc.upmc.fr">Thomas.Brumme@impmc.upmc.fr</a></pre>
</body>
</html>