[Wien] Version 6.4

Peter Blaha pblaha at theochem.tuwien.ac.at
Thu Aug 24 11:35:56 CEST 2006


Dear WIEN users,

I just released a new version, see  http://www.wien2k.at/reg_user/updates/

Highlights: 

Changes in lapw0 (FFT mesh): accuracy of GGA calculations when 
  changing lattice parameters

New GGA (WU-Cohen) released.

x pairhess (generation of approximate Hessian for PORT minimization)

spaghetti produces xmgrace file

new  "x optimize" option + analysis (eosfit6)

linear constraints of positions in mini

bugfixes, cleanups

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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