[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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