<div dir="ltr">Hi Patrick,<br><div><br></div><div>Thank you for the advice.</div><div><br></div><div>I will try with this.</div><div><br></div><div>Kind regards,</div><div><br></div><div>Nimali</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Jun 27, 2019 at 1:48 AM Patrick Gono <<a href="mailto:patri...@gmail.com">patri...@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div>Dear Nimali,</div><div><br></div><div>please find attached a quick Python 3 script that plots the projected density of states. Disclaimer: I can not guarantee that there are no bugs/mistakes in the code. It is probably also very inefficient. If possible, do not simply copy the script, but rather try to implement it yourself.</div><div><br></div><div>You can also read about plotting the PDOS in this tutorial: <a href="https://www.cp2k.org/exercises:2017_uzh_cmest:pdos" target="_blank">https://www.cp2k.org/exercises:2017_uzh_cmest:pdos</a></div><div>There you are advised to download the scripts from the following website: <a href="http://wiki.wpi.edu/deskinsgroup/Density_of_States" target="_blank">wiki.wpi.edu/deskinsgroup/Density_of_States</a><br></div><div>Alternatively, you can use this script written by Tiziano Müller: <a href="https://raw.githubusercontent.com/dev-zero/cp2k-tools/master/scripts/cp2k_pdos.py" target="_blank">https://raw.githubusercontent.com/dev-zero/cp2k-tools/master/scripts/cp2k_pdos.py</a></div><div><br></div><div>The main idea is always to smooth out the discrete PDOS using Gaussians.</div><div><br></div><div>Good luck!</div><div>Yours sincerely</div><div>Patrick Gono<br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, 26 Jun 2019 at 08:58, Nimali Rathnayake <<a href="mailto:nimalira...@gmail.com" target="_blank">nimalira...@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Hi Everyone,<div><br></div><div>I am trying to plot the DOS graphs using the .pdos file I obtained from cp2k calculation.</div><div><br></div><div>Can anyone please explain me how to draw the DOS plots using .pdos file. I have attached my pdos file for your reference. </div><div><br></div><div>I am very grateful for your help.</div><div><br></div><div>Thank you.</div><div><br></div><div>Kind regards,</div><div><br></div><div>Nimali<br clear="all"><div><br></div></div></div>
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><font color="#073763">Thank you,</font></div><div dir="ltr"><font color="#073763"><br></font></div><div><font color="#073763">Best Regards,</font></div><div><font color="#073763"><br></font></div><div><font color="#073763">Nimali</font></div><div dir="ltr"><font color="#073763"><br></font><div><span style="background-color:rgb(255,255,255)"><font color="#674ea7"><br></font></span></div></div></div></div></div></div></div></div></div>