[Wien] WIEN2k Version 11.1

[Peter Blaha]

Dear WIEN users,

The Version WIEN2k_11.1 has been released today and is ready for download for all
registered users.

Among others, it includes

- new options in MIXER (contributed by L.Marks)
    -- mode MSR1 (density convergence)
    -- mode MSR1a: updates simultaneously density AND atom-positions (using forces)
                   at every scf-cycle and thus provide a new "structure optimization"
                   tool.
- XMCD calculations using the OPTICS" package (contributed by L Pardini)
- TELNES3 by K.Jorissen and C.Hebert, which replaces Telnes2.

There are several bug-fixes, updates, new features, support for ifort12, ...

Since the mesh for the XC-fit has been changed and the LO-orthogonality constrains
have been tightened, small changes in the absolute total energy may occur.

For a list of all changes see http://www.wien2k.at/reg_user/updates/

You may also want to look at  http://www.wien2k.at/reg_user/unsupported

for some tools of interest.

Many thanks to all of you who contributed or reported (and fixed) bugs for
this new release.

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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