<br> Dear QE USERS,<br> <br> It is nice to know that the DFPT+U has been recently implemented.<br> I hope, it will be public soon. If not, may I ask a developmental implementation or <br> executables, so that I can also perform some test calculations for my systems ?<br>
Sometime carrying out FROZEN PHONON is boring.<br> <br> By the way, thanks a lot for the good news.<br> <br> Regards,<br> Saha SK,<br> R&D Assistant,<br> JNC, Bangalore<br><br><br><div class="gmail_quote">On Thu, Jul 15, 2010 at 12:14 PM, Andrea Floris <span dir="ltr"><<a href="mailto:an.floris@gmail.com">an.floris@gmail.com</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;">Dear Ali,<br>
<br>
The DFPT+U has been recently implemented, and I am doing some<br>
calculations on test materials, to see<br>
how it performs. It will be public in the future, both in<br>
norm-conserving and ultrasoft pseudopotentials.<br>
<br>
Regards,<br>
<br>
Andrea<br>
<div class="im"><br>
</div></blockquote></div><br>