On Wed, 23 Apr 2008, ali kazempoor wrote: AK> Dear all AK> We are working on MnAs(Mn is a transition metal) AK> nanowire and plot the electron localization function AK> in pp part. But for larger value we have not isovalue AK> around Mn.why? AK> second question is what is the meaning of ELF? is its AK> concept close to the wannier function?
no. http://www.cpfs.mpg.de/ELF/ axel. AK> thanks AK> AK> AK> ____________________________________________________________________________________ AK> Be a better friend, newshound, and AK> know-it-all with Yahoo! Mobile. Try it now. http://mobile.yahoo.com/;_ylt=Ahu06i62sR8HDtDypao8Wcj9tAcJ AK> _______________________________________________ AK> Pw_forum mailing list AK> Pw_forum at pwscf.org AK> http://www.democritos.it/mailman/listinfo/pw_forum AK> -- ======================================================================= 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.
