[Wien] WIEN2k_04.1

[Peter Blaha]

Dear WIEN users,

This is just an information that I have release version WIEN2k_04.1

The main new features are summarized below:

A new mini option (PORT) for atomic positions via forces (thanks to L.Marks)

New afminput/clmcopy which uses symmetry to run AFM calculations (after an idea of M.Perez-Mato)

clminter interpolates the densities (clm* files) when RMT must be changed.

w2web improvements (c/a optimization, grepline in analysis of multiple scf files)

For more details see  www.wien2k.at/reg_user/updates


                                      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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