hello Eduardo Menendez,<br><br>Thanks a lot for the PP .................... <br>I will try with this and will report soon incase of any problems ....................... <br>ciao<br><br>Somesh<br><br><div class="gmail_quote">
On Dec 1, 2007 12:00 AM, Eduardo Ariel Menendez Proupin <<a href="mailto:eariel99@gmail.com">eariel99@gmail.com</a>> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<span class="gmail_quote"></span>Hi,<br>Find attached one pseudo for Te. It is not Vanderbilt, but norm conserving RRKJ. I had made it ultrasoft before, but there is little difference, as long as the 4d electrons are in the core. Exchange correlation is PBE.
<br>I use it for molecular dynamics setting ecutrho=30,ecutwfc=180, and tqr=-true. <br><br>Eduardo Menendez<br><br><br><div><span class="gmail_quote">2007/11/30, <a href="mailto:pw_forum-request@pwscf.org" target="_blank">
pw_forum-request@pwscf.org
</a> <<a href="mailto:pw_forum-request@pwscf.org" target="_blank">pw_forum-request@pwscf.org</a>>:</span><div><span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
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Today's Topics:<br><br> 1. Te pseudopotentials (Somesh Kumar Bhattacharya)<br><br><br>----------------------------------------------------------------------<br><br>Message: 1<br>Date: Fri, 30 Nov 2007 11:03:03 +0530
<br>From: "Somesh Kumar Bhattacharya" <<a href="mailto:somesh.kb@gmail.com" target="_blank">somesh.kb@gmail.com</a>><br>Subject: [Pw_forum] Te pseudopotentials
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<br><br>Dear Users,<br><br>I wish to do some calculations on CdTe clusters using PWSCF. For this I need<br>Vanderbilt USPP with PBE exchange correlation.<br>For Cd it exist and I can get from the net. But for Te its not there. Can
<br>anyone please provide me with the required PP????<br><br><br>Regards,<br><br>Somesh<br><br>SOMESH KR. BHATTACHARYA Ph.no.- (O)+91- 020-25692678-426<br>JUNIOR RESEARCH FELLOW<br>(M)+919921680580<br>DEPT. OF PHYSICS
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<br>End of Pw_forum Digest, Vol 5, Issue 58<br>***************************************
<br></blockquote></span></div></div><br><br clear="all"><br>-- <br><span>Eduardo Menendez
</span><br clear="all"><br clear="all"><br>-- <br><font color="#888888">Eduardo Menendez
</font></blockquote></div><br><br clear="all"><br>-- <br>Somesh Kr. Bhattacharya<br>Department of Physics,<br>University of Pune,<br>Ganeshkhind,<br>Pune - 411007<br>INDIA