Dear Prof. Peter, Thanks for the updated version.
initialization and scf for TiC went perfectly on ubuntu16.04 Desktop with ifort (2015 version) and cc. However, I observed below things: At the download page, the size of the tar file is mentioned 80MB while I see 124M another thing is: sed: can't read /home/bhamu/Wien2k18/WIEN2k_COMPILER: No such file or directory Anyway, I do not see problematic all these. Kind regards Bhamu On Thu, Jul 5, 2018 at 8:18 PM, Peter Blaha <pbl...@theochem.tuwien.ac.at> wrote: > 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: bl...@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at > WWW: http://www.imc.tuwien.ac.at/tc_blaha------------------------ > ------------------------------------------------- > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/wi > e...@zeus.theochem.tuwien.ac.at/index.html >
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