Dear Matteo,<br><br>thank you for the files.<br><br>In Umat_nio.5.5.5.out i cannot find the value of U estrapolated.<br>do i need some post-processing?<br><br>cheers,<br><br>Gianluca<br><br><div class="gmail_quote">On Thu, Feb 18, 2010 at 12:39 AM, Matteo Cococcioni <span dir="ltr"><<a href="mailto:matteo@umn.edu">matteo@umn.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><br>
Hi Gianluca,<br>
<br>
I seem to remember it didn't make any difference. attached please find a tar file with an example of calculation of U of NiO.<br>
<br>
Matteo<br>
<br>
<br>
Gianluca Giovannetti wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div class="im">
Dear Matteo,<br>
<br>
i had a look to the NiO example at the link:<br>
<br>
<a href="http://www.quantum-espresso.org/wiki/images/f/f4/Handson_ldau.pdf" target="_blank">http://www.quantum-espresso.org/wiki/images/f/f4/Handson_ldau.pdf</a><br>
<br></div>
There, one can find the possibility to look at magnetic system with the flag "magn" in the file <a href="http://resp_mat.in" target="_blank">resp_mat.in</a> <<a href="http://resp_mat.in" target="_blank">http://resp_mat.in</a>>.<div class="im">
<br>
<br>
However resp_mat.f90 has not such variable in the file.<br>
do i think it wrong?<br>
<br>
thank you.<br>
<br>
Gianluca<br>
<br>
<br>
</div></blockquote>
<br>
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