As long as the Exchange correlation function of the two pseudopotentials are same you cam use it.
Prasenjit. 2008/10/10 <ski2 at mail.uh.edu> > Dear all, > > I have a quick question about utilization of pseudopentials. > > Is it possible to use Vanderbilt ultrasoft PPs with Martins-Troullier PPs > in an electronic structure calculation? > For example: > I.pbe-mt_bw.UPF<http://www.quantum-espresso.org/pseudo/1.3/UPF/I.pbe-mt_bw.UPF>and > O.pbe-van_bm.UPF<http://www.quantum-espresso.org/pseudo/1.3/UPF/O.pbe-van_bm.UPF> > > Best Wishes, > Sang-Hwan > > > Department of Chemistry > University of Houston > 136 Fleming Building > Houston, TX 77204-5003 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- PRASENJIT GHOSH, POST-DOC, ROOM NO: 265, MAIN BUILDING, CM SECTION, ICTP, STRADA COSTERIA 11, TRIESTE, 34104, ITALY PHONE: +39 040 2240 369 (O) +39 3807528672 (M) -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20081010/96df8260/attachment.htm
