<br />Hi <div>Projected density of states (pDOS) is not implemented for k points<br /></div><div>Regards</div><div>Marcella</div><div><br /></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Friday, November 29, 2024 at 10:46:39 PM UTC+1 Lukas C wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><u></u>
<div>
<p>Hi!</p>
<p>Please append your output.</p>
<p>Best,<br>
Lukas<br>
</p></div><div>
<div>On 11/29/24 17:16, Lakshmi Anil wrote:<br>
</div>
</div><div><blockquote type="cite">
<p><strong>Dear Lucas,</strong></p>
<p>I tried using the simpler version and added the &DOS
section as well. After completing the process, I was able to
generate the .dos file, but the .pdos file is still not being
created. Could you suggest a way to resolve this issue?</p>
<p>Thank you in advance for your help!</p>
<p>Kind regards,<br>
Lakshmi.</p>
<div class="gmail_quote">
<div dir="auto" class="gmail_attr">On Friday, November 29, 2024
at 9:07:01 AM UTC-5 Lakshmi Anil wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0 0 0 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<p dir="ltr">Hi,<br>
Thank you for the suggestion.I didn't get any error
messages. All of them were converging too. The only thing is
that it's not printing the .pdos file. I will try this and
will get back to you.</p>
<p dir="ltr">Kind Regards, <br>
Lakshmi </p>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Fri, Nov 29, 2024,
8:55 AM Lukas Cvitkovich <<a rel="nofollow">l.cvit...@gmail.com</a>>
wrote:<br>
</div>
</div>
<div class="gmail_quote">
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div>
<p>Hi!</p>
<p>Do you get any error message? <br>
Does the calculation work otherwise?<br>
The input file looks fine on the first glance but
maybe you want to try with a simpler version:</p>
<p> &PDOS ON<br>
NLUMO 2<br>
ADD_LAST NUMERIC<br>
&END PDOS</p>
<p>Cheers,<br>
Lukas</p>
<div>On 11/29/24 00:44, Lakshmi Anil wrote:<br>
</div>
<blockquote type="cite"> Dear All,<br>
I have been using this software for the past few
months. However, I am now facing an issue with
printing the PDOS. First, I tried it with my system,
but it did not work. Then, I tried it with a small
molecule, and the same issue occurred. Could anyone
please help me identify if there is anything wrong
with the input I am providing?
<div>Also, I am attaching the input file along with
this email.</div>
<div>Looking forward for the reply.</div>
<div><br>
</div>
<div>Kind Regards,</div>
<div>Lakshmi.</div>
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