<div dir="ltr">Yes, I intentionally put the U=0 to print the occupations .</div><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Feb 24, 2016 at 7:38 PM, Elias Assmann <span dir="ltr"><<a href="mailto:elias.assmann@gmail.com" target="_blank">elias.assmann@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><span class="">On 02/24/2016 02:58 PM, Paresh Chandra Rout wrote:<br>
> I have done it correctly or not. Any help would be highly<br>
> appreciated . Here I am attaching the following files case.inorb,<br>
> case.indm,case.outputorbup,case.outputorbdn.<br>
<br>
</span>You explicitly put a U of 0 on atoms 6 and 7.  Is that intentional?<br>
<br>
Other than that, it will take more of an expert than me to find<br>
something in these files …<br>
<span class="HOEnZb"><font color="#888888"><br>
<br>
        Elias<br>
<br>
--<br>
Elias Assmann<br>
Institute of Theoretical and Computational Physics<br>
TU Graz                   ⟨<a href="https://itp.tugraz.at/" rel="noreferrer" target="_blank">https://itp.tugraz.at/</a>⟩<br>
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