[Wien] wien2k_18

[Peter Blaha]

Dear wien2k users,

A new version, WIEN2k_18 is ready and can be downloaded by all 
registered users.

It contains numerous updates, new features, bug fixes. The most 
important changes are:

The list of Authors of WIEN2k has changed. In order to acknowledge their 
support over many years, we have included Robert Laskowski, Fabien Tran 
and Laurence Marks as official co-authors. The official citation of 
WIEN2k should be changed to:

P. Blaha, K. Schwarz, G. Madsen, D. Kvasnicka, J. Luitz, R. Laskowski, 
F. Tran and L. Marks, WIEN2k, An Augmented Plane Wave + Local Orbitals 
Program for Calculating Crystal Properties (Karlheinz Schwarz, Techn. 
Universität Wien, Austria), 2018. ISBN 3-9501031-1-2

Please use this reference in your further papers.
----------------------------------------------------------------------
There are new packages:

afmsim: (Atomic force microscopy simulations)

3ddens: (fast program to calculate 3D-densities/potentials,... producing 
an xsf file). Don't use the 3D option of xcrysden anymore. It can also 
simulate constant current STM images.

nlvdw: large speed iprovement (no network overload anymore)

mixer: New version 9.4 by L.D.arks

pes: new module for valence PES simulations

Improvements in several *_lapw scripts:
    new switches for lapw5 (potentials, ....)
    automatic recovery from Cholesky or "band range errors" when using 
iterative diagonalization

GLLB-SC potential as alternative to TB-mBJ. However, usually mBJ gives 
superior results ....
-------------------------------------------------------------------------
Many bug fixes, which where discussed in the mailing list over the last 
year (and more ...)


A complete list of changes is given at
http://www.wien2k.at/reg_user/updates


Regards
Peter Blaha
-- 
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW: 
http://www.imc.tuwien.ac.at/tc_blaha-------------------------------------------------------------------------