Dear Wien users<br>
<br>
I´m interested on the electron-phonon coupling constant calculated <br>
a la Gaspari-Gyorffy. For this, I need the phase shifts for different chanels.<br>
<br>
I know that those phase shifts can be obtained from the log-derivitives of the radial function<br>
u_l(r) at the MT radii. <br>
<br>
I would like to know how to extract u_l(r) and the corresponding log-der from WIEN2K code.<br>
<br>
thank you in advance for your help<br>
<br>
Emilio Orgaz <br><br><div><span class="gmail_quote">On 10/13/05, <b class="gmail_sendername">Ashok Kumar Verma</b> <<a href="mailto:hpps@magnum.barc.ernet.in">hpps@magnum.barc.ernet.in</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Dear WIEN users,<br>
Is there anyone who can tell me how to calculate the<br>electron-phonon coupling constant using WIEN. I saw one paper by P. Blaha<br>(PRB 62, 6774) where this has been done within the rigid muffin-tin<br>approximation. But i dod not knos how to do it.
<br>thanking in advance<br><br><br><br>_______________________________________________<br>Wien mailing list<br><a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br><a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br></blockquote></div><br><br clear="all"><br>-- <br>Dr. Emilio Orgaz<br>Departamento de Física y Química Teórica<br>Facultad de Química, UNAM<br><a href="mailto:Emilio.Orgaz@gmail.com">
Emilio.Orgaz@gmail.com</a><br>Tel. 5622-3776 <br>Fax. 5622-3521