[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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