On Fri, 2009-03-27 at 15:04 +0100, saqib.javaid at ipcms.u-strasbg.fr wrote: > Dear PWSCF users, > I have question regarding utilization of different type of Ultrasoft > pseudopotentials. Is it correct to use different type of ultrasoft PS ( like > rrkjus and Vanderbilt) for different atoms in a given system??? (e.g. one can > use rrkjus PS of Cobalt and Vanderbilt PS of Mn with same XC functionals in a > given system)
yes. check out the FAQ. a. > With best regards > Saqib JAVAID > > PhD Student > University of Strasbourg > Strasbourg, France. > > ---------------------------------------------------------------- > This message was sent using IMP, the Internet Messaging Program. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- ======================================================================= Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
