<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 href="mailto:l.cvitkovich@gmail.com">l.cvitkovich@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><u></u>

  
    
  
  <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>
    <p></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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