[Wien] NMR-code

[Peter Blaha]

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: blaha at theochem.tuwien.ac.at    WWW: 
http://info.tuwien.ac.at/theochem/
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