Dear Axel and users I am looking for pseudo potential of Mo and S of pbe type
On QE web its available for S but not for Mo For Mo,? it is pw91 type I am worried , there would be a mismatch I am new to QE and have not generated PP before Thanks Sohail King Khalid University Saudi Arabia --- On Thu, 5/7/12, pw_forum-request at pwscf.org <pw_forum-request at pwscf.org> wrote: From: pw_forum-request at pwscf.org <[email protected]> Subject: Pw_forum Digest, Vol 61, Issue 11 To: pw_forum at pwscf.org Date: Thursday, 5 July, 2012, 1:15 PM Send Pw_forum mailing list submissions to ??? pw_forum at pwscf.org To subscribe or unsubscribe via the World Wide Web, visit ??? http://www.democritos.it/mailman/listinfo/pw_forum or, via email, send a message with subject or body 'help' to ??? pw_forum-request at pwscf.org You can reach the person managing the list at ??? pw_forum-owner at pwscf.org 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) ???2. Re: Pseudopotential for MoS2 (Axel Kohlmeyer) ---------------------------------------------------------------------- Message: 1 Date: Thu, 5 Jul 2012 14:53:53 +0800 (SGT) From: Sohail Ahmad <[email protected]> Subject: [Pw_forum] Pseudopotential for MoS2 To: Plane Wave <pw_forum at pwscf.org> Message-ID: ??? <1341471233.4994.YahooMailClassic at web192202.mail.sg3.yahoo.com> Content-Type: text/plain; charset="utf-8" Dear Pw users Can any body help me in getting the link to obtain pseudo potentials for MoS2 Both LDA and GGA Thanks Sohail King Khalid University Saudi Arabia -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120705/6b10a538/attachment.html ------------------------------ Message: 2 Date: Thu, 5 Jul 2012 09:37:58 +0200 From: Axel Kohlmeyer <[email protected]> Subject: Re: [Pw_forum] Pseudopotential for MoS2 To: PWSCF Forum <pw_forum at pwscf.org> Message-ID: ??? <CADTmJ6GTTY4rRUL7Wxs34F5q2suMyAwmakXwkCFdZZ0t=Vf5xg at mail.gmail.com> Content-Type: text/plain; charset=ISO-8859-1 On Thu, Jul 5, 2012 at 8:53 AM, Sohail Ahmad <sohailphysics at yahoo.co.in> wrote: > > Dear Pw users > > Can any body help me in getting the link to obtain pseudo potentials for MoS2 > Both LDA and GGA ...and i want a pony for christmas. how about you start with the ones that are provided on the Q-E homepage? axel. > > Thanks > > Sohail > King Khalid University > Saudi Arabia > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Dr. Axel Kohlmeyer? akohlmey at gmail.com? http://goo.gl/1wk0 International Centre for Theoretical Physics, Trieste. Italy. ------------------------------ _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum End of Pw_forum Digest, Vol 61, Issue 11 **************************************** -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120705/8ad77754/attachment.htm
