<div dir="ltr"><div>Hey Mohamed,<br><br>Sorry I didn't get back to you sooner-  a lot of things came up at once and things got really busy. I think that you need to add the NLUMO keyword to the PDOS section of your input file. Try something like the following and see if it works:<br>
<br>  &PRINT<br>    &PDOS<br>      COMPONENTS<br>      FILENAME ./PDOS_OUTPUT<br>      NLUMO 200<br>    &END PDOS<br>  &END PRINT<br><br></div>Regards,<br>Marco<br></div><div class="gmail_extra"><br><br><div class="gmail_quote">
On Tue, May 13, 2014 at 5:59 AM, mohamed khuili <span dir="ltr"><<a href="mailto:khuili...@gmail.com" target="_blank">khuili...@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div class="HOEnZb"><div class="h5"><br><blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div dir="ltr"><div><div style="overflow:auto">I
 have a question regarding plotting of PDOS obtained from CP2K. When 
plotting the data from files containing PDOS the plot looks very sharp. Is There a code to 
make spectra look nice, more naturally  and smooth ? <br><br>Thank you in advance,<br><br>Mohamed<br></div></div>              </div></blockquote></div></blockquote>

<p></p>

-- <br>
You received this message because you are subscribed to a topic in the Google Groups "cp2k" group.<br>
To unsubscribe from this topic, visit <a href="https://groups.google.com/d/topic/cp2k/bR3n5Jeq-j8/unsubscribe" target="_blank">https://groups.google.com/d/topic/cp2k/bR3n5Jeq-j8/unsubscribe</a>.<br>
To unsubscribe from this group and all its topics, send an email to <a href="mailto:cp2k+uns...@googlegroups.com" target="_blank">cp2k+uns...@googlegroups.com</a>.<br>
To post to this group, send email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br>
Visit this group at <a href="http://groups.google.com/group/cp2k" target="_blank">http://groups.google.com/group/cp2k</a>.<br>
For more options, visit <a href="https://groups.google.com/d/optout" target="_blank">https://groups.google.com/d/optout</a>.<br>
</div></div></blockquote></div><br></div>