<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Dear Lorenzo<br>I want normconserving pseudopotential for Zn, Ti, (including semicore) and O , since i want to perform GW approximation by sax code that need norm conserving pseudopotentials? in FHI format or espresso ?<br>thanks a lot<br><br>Ali Kazempour<br>
Physics department, Isfahan University of Technology<br>
84156 Isfahan, Iran. Tel-1: +98 311 391 3733<br>
Fax: +98 311 391 2376 Tel-2: +98 311 391 2375<br><br>--- On <b>Wed, 7/15/09, Lorenzo Paulatto <i><paulatto@sissa.it></i></b> wrote:<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br>From: Lorenzo Paulatto <paulatto@sissa.it><br>Subject: Re: [Pw_forum] semicore<br>To: "PWSCF Forum" <pw_forum@pwscf.org><br>Date: Wednesday, July 15, 2009, 2:51 AM<br><br><div class="plainMail">In data 15 luglio 2009 alle ore 11:25:36, ali kazempour <br><<a ymailto="mailto:kazempoor2000@yahoo.com" href="/mc/compose?to=kazempoor2000@yahoo.com">kazempoor2000@yahoo.com</a>> ha scritto:<br>> I want to make ncpp for Ti by fhi2upf<br><br>Dear Ali,<br>fhi2upf is not a pseudopotential generation code, but only a tool to <br>convert pseudopotential from the abinit format to the quantum-espresso <br>format.<br><br>> and I make enter semicore electron . How can I do
this?<br><br>If the semicore electrons are included in the original abinit <br>pseudopotential they will be in included in the resulting UPF file, at <br>least they should. Are you having some specific problem? Which <br>pseudopotential file are you trying to convert?<br><br>best regards<br><br>-- <br>Lorenzo Paulatto<br>SISSA & DEMOCRITOS (Trieste)<br>phone: +39 040 3787 511<br>skype: paulatz<br>www: <a href="http://people.sissa.it/%7Epaulatto/" target="_blank">http://people.sissa.it/~paulatto/</a><br><br> *** save italian brains ***<br> <a href="http://saveitalianbrains.wordpress.com/" target="_blank">http://saveitalianbrains.wordpress.com/</a><br>_______________________________________________<br>Pw_forum mailing list<br><a ymailto="mailto:Pw_forum@pwscf.org" href="/mc/compose?to=Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br><a
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