Dear wien2k users,
A new version of the NMR-module SRC_nmr.tar.gz is available for
download from the "files" download-area.
This directory should replace the old SRC_nmr directory. You can use the
"update" option of siteconfig or do it manually (including the
adaptation of the Makefile.
In addition there is a x_nmr_lapw script in this directory, which should
be copied to $WIENROOT.
More accurate calculation of the magnetic suszeptibility
Correct definition of aniosotropies, asymmetries or kappa,....
Regards
--
P.Blaha
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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 WWW:
http://info.tuwien.ac.at/theochem/
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