Thank you for your advice, and the N PP works fine.<br><br>
<div class="gmail_quote">2009/4/1 Dal Corso Andrea <span dir="ltr"><<a href="mailto:dalcorso@sissa.it">dalcorso@sissa.it</a>></span><br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div class="im">On Wed, 2009-04-01 at 14:34 +0800, 程迎春 wrote:<br>> Dear QE users,<br>> Recently, I try to study AlN with spin-orbital interaction.<br>> However,there is no N pseudopotential for relativistic calculation in<br>
> pwscf website. Can anybody provide me such N pseudopotential or give<br>> me some advices to get it? Thank you in advance!<br>><br><br></div>atomic_doc/pseudo_library/LDA/REL/<a href="http://n.rel-pz-rrkjus.in/" target="_blank">N.rel-pz-rrkjus.in</a> or<br>
atomic_doc/pseudo_library/PBE/REL/<a href="http://n.rel-pbe-rrkjus.in/" target="_blank">N.rel-pbe-rrkjus.in</a><br><br>Please use the one on the cvs version and let us know if it works. Note<br>that ld1.x of espresso 4.0.X has a bug in the new format so you need to<br>
set upf_v1_format=.true. to obtain a working PP. The bug has been<br>corrected in ld1.x of the cvs version.<br><br>Hope this helps,<br><br>Andrea<br>
<div class="im"><br>> --<br>> Y. C. Cheng<br>> Department of Phyics<br>> Nanjing University<br>> Nanjing 210093<br>> P. R. China<br>> Tel: 86-25-83592907<br>> Email: <a href="mailto:yccheng.nju@gmail.com">yccheng.nju@gmail.com</a><br>
><br></div>> _______________________________________________<br>> Pw_forum mailing list<br>> <a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>> <a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
--<br>Andrea Dal Corso Tel. 0039-040-3787428<br>SISSA, Via Beirut 2/4 Fax. 0039-040-3787528<br>34014 Trieste (Italy) e-mail: <a href="mailto:dalcorso@sissa.it">dalcorso@sissa.it</a><br>
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</blockquote></div><br><br clear="all"><br>-- <br>Y. C. Cheng<br>Department of Phyics<br>Nanjing University<br>Nanjing 210093<br>P. R. China<br>Tel: 86-25-83592907<br>Email: <a href="mailto:yccheng.nju@gmail.com">yccheng.nju@gmail.com</a><br>