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<p>Dear Shakeel</p>
<p>You must create two files when initializing a GGA+U (or LDA+U)
calculation, i.e. case.inorb and case.indm (or case.indmc if no
inversion center in the space group). <br>
</p>
<p>Normally when you start such a calculation from the w2web
interface, the interface open a template file to allow you to
create properly the case.indm file. <br>
</p>
<p>How did you proceed? Look at the userguide and the manual of
Pawel Novak in the website. You will find more information. <br>
</p>
<p>Cheers</p>
<p>Xavier<br>
</p>
<br>
<div class="moz-cite-prefix">Le 02/08/2016 à 09:27, Shakeel Khandy a
écrit :<br>
</div>
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cite="mid:CAOq_QAB5qnHBWquORhgaVOGO19f2BhBctgGUsLbAHqWgHPFagQ@mail.gmail.com"
type="cite">
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Dear Users,<br>
<br>
<br>
<div>I have tried to run the GGA+U on FeVTiAl, After running a
normal GGA cycle i initialised for GG+ U, But it showed an
error message as<br>
Can't read file FeVTiAl_u.indmc.
<br>
<br>
</div>
<div>Only <b>FeVTiAl.inorb</b> file is created and then .indm
is missing<br>
<br>
</div>
<div>Please help me to sort out this<br>
<br>
</div>
<div>With Kind Regards<br>
</div>
<div>Shakeel<br>
</div>
</div>
<br>
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