<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Dear Axel and users<br><br>I am looking for pseudo potential of Mo and S of <span style="font-weight: bold; font-style: italic; text-decoration: underline;">pbe</span> type<br><br>On QE web its available for S but not for Mo<br>For Mo,  it is pw91 type<br><br>I am worried , there would be a mismatch<br><br>I am new to QE and have not generated PP before<br><br>Thanks<br><br>Sohail <br>King Khalid University<br>Saudi Arabia<br><br><br>--- On <b>Thu, 5/7/12, pw_forum-request@pwscf.org <i><pw_forum-request@pwscf.org></i></b> wrote:<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br>From: pw_forum-request@pwscf.org <pw_forum-request@pwscf.org><br>Subject: Pw_forum Digest, Vol 61, Issue 11<br>To: pw_forum@pwscf.org<br>Date: Thursday, 5 July, 2012, 1:15 PM<br><br><div class="plainMail">Send

Pw_forum mailing list submissions to     <a ymailto="mailto:pw_forum@pwscf.org" href="/mc/compose?to=pw_forum@pwscf.org">pw_forum@pwscf.org</a> To subscribe or unsubscribe via the World Wide Web, visit     <a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a> or, via email, send a message with subject or body 'help' to     <a ymailto="mailto:pw_forum-request@pwscf.org" href="/mc/compose?to=pw_forum-request@pwscf.org">pw_forum-request@pwscf.org</a> You can reach the person managing the list at     <a ymailto="mailto:pw_forum-owner@pwscf.org" href="/mc/compose?to=pw_forum-owner@pwscf.org">pw_forum-owner@pwscf.org</a> When replying, please edit your Subject line so it is more specific than "Re: Contents of Pw_forum digest..." Today's Topics:    1.

 Pseudopotential for MoS2 (Sohail Ahmad)<br>   2. Re: Pseudopotential for MoS2 (Axel Kohlmeyer)<br><br><br>----------------------------------------------------------------------<br><br>Message: 1<br>Date: Thu, 5 Jul 2012 14:53:53 +0800 (SGT)<br>From: Sohail Ahmad <<a ymailto="mailto:sohailphysics@yahoo.co.in" href="/mc/compose?to=sohailphysics@yahoo.co.in">sohailphysics@yahoo.co.in</a>><br>Subject: [Pw_forum] Pseudopotential for MoS2<br>To: Plane Wave <<a ymailto="mailto:pw_forum@pwscf.org" href="/mc/compose?to=pw_forum@pwscf.org">pw_forum@pwscf.org</a>><br>Message-ID:<br>    <<a ymailto="mailto:1341471233.4994.YahooMailClassic@web192202.mail.sg3.yahoo.com" href="/mc/compose?to=1341471233.4994.YahooMailClassic@web192202.mail.sg3.yahoo.com">1341471233.4994.YahooMailClassic@web192202.mail.sg3.yahoo.com</a>><br>Content-Type: text/plain; charset="utf-8"<br><br>Dear Pw users<br><br>Can any body help me in

 getting the link to obtain pseudo potentials for MoS2<br>Both LDA and GGA<br><br>Thanks<br><br>Sohail<br>King Khalid University<br>Saudi Arabia<br>-------------- next part --------------<br>An HTML attachment was scrubbed...<br>URL: <a href="http://www.democritos.it/pipermail/pw_forum/attachments/20120705/6b10a538/attachment.html" target="_blank">http://www.democritos.it/pipermail/pw_forum/attachments/20120705/6b10a538/attachment.html</a> <br><br>------------------------------<br><br>Message: 2<br>Date: Thu, 5 Jul 2012 09:37:58 +0200<br>From: Axel Kohlmeyer <<a ymailto="mailto:akohlmey@gmail.com" href="/mc/compose?to=akohlmey@gmail.com">akohlmey@gmail.com</a>><br>Subject: Re: [Pw_forum] Pseudopotential for MoS2<br>To: PWSCF Forum <<a ymailto="mailto:pw_forum@pwscf.org" href="/mc/compose?to=pw_forum@pwscf.org">pw_forum@pwscf.org</a>><br>Message-ID:<br>    <CADTmJ6GTTY4rRUL7Wxs34F5q2suMyAwmakXwkCFdZZ0t=<a

 ymailto="mailto:Vf5xg@mail.gmail.com" href="/mc/compose?to=Vf5xg@mail.gmail.com">Vf5xg@mail.gmail.com</a>><br>Content-Type: text/plain; charset=ISO-8859-1<br><br>On Thu, Jul 5, 2012 at 8:53 AM, Sohail Ahmad <<a ymailto="mailto:sohailphysics@yahoo.co.in" href="/mc/compose?to=sohailphysics@yahoo.co.in">sohailphysics@yahoo.co.in</a>> wrote:<br>><br>> Dear Pw users<br>><br>> Can any body help me in getting the link to obtain pseudo potentials for MoS2<br>> Both LDA and GGA<br><br><br>...and i want a pony for christmas.<br><br>how about you start with the ones that are provided on the Q-E homepage?<br><br>axel.<br><br>><br>> Thanks<br>><br>> Sohail<br>> King Khalid University<br>> Saudi Arabia<br>><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

 href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>><br><br><br><br>--<br>Dr. Axel Kohlmeyer  <a ymailto="mailto:akohlmey@gmail.com" href="/mc/compose?to=akohlmey@gmail.com">akohlmey@gmail.com</a>  <a href="http://goo.gl/1wk0" target="_blank">http://goo.gl/1wk0</a><br>International Centre for Theoretical Physics, Trieste. Italy.<br><br><br>------------------------------<br><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 href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br><br><br>End of Pw_forum Digest, Vol 61, Issue 11<br>****************************************<br></div></blockquote></td></tr></table>