<div dir="ltr"><div class="gmail_default" style="font-family:georgia,serif">thank you for you replt, i used cgrace, it worked</div></div><img src="https://my-email-signature.link/signature.gif?u=139409&e=14979728&v=ca683330d1c895a485f08a5d001244e46826e7c6269c6244541d7750c912dbd4" style="width:0;max-height:0;overflow:hidden"><div class="gmail_extra"><br><div class="gmail_quote">On Sat, Dec 16, 2017 at 7:27 PM, Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div text="#000000" bgcolor="#FFFFFF">
<p>After running "x tetra", did you run "dosplot2_lapw -i" (see
section 5.10.5 dosplot2_lapw [1]) or "Cgrace_dos_lapw" (see
section 5.10.6 Cgrace_lapw, Cgrace_conf_lapw and Cgrace_dos_lapw
[1]) in a terminal while in the case directory?</p>
<p>On the other hand, there is no mention of SUM-DOS option for
dosplot (in section 5.10.4 dosplot_lapw [1]). So the dosplot used
by w2web most likely cannot plot the output from the SUM-DOS
option.</p>
<p>[1] WIEN2k 17.1 usersguide:
<a class="m_4480671250008312133moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf" target="_blank">http://susi.theochem.tuwien.<wbr>ac.at/reg_user/textbooks/<wbr>usersguide.pdf</a><br>
</p><span class="">
<br>
<div class="m_4480671250008312133moz-cite-prefix">On 12/15/2017 6:47 PM, Chouaib AHMANI
FERDI wrote:<br>
</div>
<blockquote type="cite">
<div dir="ltr">
<div class="gmail_default" style="font-family:georgia,serif">Greetings
Wien2k users,</div>
<div class="gmail_default" style="font-family:georgia,serif"><br>
</div>
<div class="gmail_default" style="font-family:georgia,serif">I
would like to sum the total DOS of all atoms present in the
cell of a certain element, or just to sum say eg and teg
orbitals.</div>
<div class="gmail_default" style="font-family:georgia,serif">I
modified the <a href="http://case.int" target="_blank">case.int</a>
so as to put : </div>
<div class="gmail_default" style="font-family:georgia,serif">e.g.</div>
<div class="gmail_default" style="font-family:georgia,serif">SUM:
1 2 </div>
<div class="gmail_default" style="font-family:georgia,serif"> 1
2 <br>
</div>
<div class="gmail_default" style="font-family:georgia,serif"><br>
</div>
<div class="gmail_default" style="font-family:georgia,serif">run
tetra but the plot does not show up for some reason.</div>
<div class="gmail_default" style="font-family:georgia,serif"><br>
</div>
<div class="gmail_default" style="font-family:georgia,serif">How
it is done ? </div>
<div><br>
</div>
-- <br>
<div class="m_4480671250008312133gmail_signature" data-smartmail="gmail_signature">
<div dir="ltr">
<div>
<div dir="ltr">
<div>
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr"><font style="background-color:rgb(255,255,255)" face="georgia, serif" color="#0b5394">AHMANI
FERDI Chouaïb</font></div>
<div dir="ltr"><font style="background-color:rgb(255,255,255)" face="georgia, serif" color="#0b5394">"Laboratoire
Matériaux Nanomatériaux Nanomagnétisme </font></div>
<div dir="ltr"><font style="background-color:rgb(255,255,255)" face="georgia, serif" color="#0b5394"> et
Enseignement des Sciences"<br>
</font></div>
<div dir="ltr"><font style="background-color:rgb(255,255,255)" face="georgia, serif" color="#0b5394">Ecole
Normale Supérieure</font></div>
<div dir="ltr"><span style="background-color:rgb(255,255,255)"><font color="#0b5394"><font face="georgia,
serif">Université Mohammed V, </font><span style="font-family:georgia,serif;font-size:12.8px">Rabat. </span></font></span></div>
<div dir="ltr">
<div><span style="background-color:rgb(255,255,255)"><font color="#0b5394"><font face="georgia,
serif">Tel : </font><font face="trebuchet ms, sans-serif">+212
6 94 59 57 60</font></font></span></div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</blockquote>
</span></div>
<br>______________________________<wbr>_________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.<wbr>at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.<wbr>ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at: <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/<wbr>wien@zeus.theochem.tuwien.ac.<wbr>at/index.html</a><br>
<br></blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><font face="georgia, serif" style="background-color:rgb(255,255,255)" color="#0b5394">AHMANI FERDI Chouaïb</font></div><div dir="ltr"><font face="georgia, serif" style="background-color:rgb(255,255,255)" color="#0b5394">"Laboratoire Matériaux Nanomatériaux Nanomagnétisme </font></div><div dir="ltr"><font face="georgia, serif" style="background-color:rgb(255,255,255)" color="#0b5394"> et Enseignement des Sciences"<br></font></div><div dir="ltr"><font face="georgia, serif" style="background-color:rgb(255,255,255)" color="#0b5394">Ecole Normale Supérieure</font></div><div dir="ltr"><span style="background-color:rgb(255,255,255)"><font color="#0b5394"><font face="georgia, serif">Université Mohammed V, </font><span style="font-family:georgia,serif;font-size:12.8px">Rabat. </span></font></span></div><div dir="ltr"><div><span style="background-color:rgb(255,255,255)"><font color="#0b5394"><font face="georgia, serif">Tel : </font><font face="trebuchet ms, sans-serif">+212 6 94 59 57 60</font></font></span></div><div><span style="background-color:rgb(255,255,255)"><font color="#0b5394"><br></font></span></div><div><font face="trebuchet ms, sans-serif"><br></font></div></div></div></div></div></div></div></div></div></div></div>
</div>