[Wien] WIEN2k_9.2

Peter Blaha pblaha at theochem.tuwien.ac.at
Tue Sep 29 12:18:22 CEST 2009


Dear WIEN2k users,

A new version, WIEN2k_09.2, has been released.

For a listing of all changes and download see   http://www.wien2k.at/reg_user/updates

Most importantly:

new package   SRC_dipan

modifications to SRC_pairhess (better starting hessian for min_lapw)

a new, even faster    iterative diagonalization in lapw1

a new switch   -in1ef   for all run*_lapw scripts, which I recommend to use
instead of     -in1new N

official support for PBEsol

supercell can handle R lattices

updated SRC_arrows

Best regards
-- 

                                       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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