The latest Wien2k source file (WIEN2k_13.tar) on the website is 13.1
with the problematic NMR package.
You have to download just the individual NMR source file
(SRC_nmr.tar.gz) and apply it to Wien2k 13.1. It was already mentioned
how to install it at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10108.html
On 3/20/2014 8:26 PM, Bing Zhou wrote:
Dear all,
I would calculate NMR CSA for my minerals, but it is said the original version
may not give accurate CSA results, so I downloaded the latest version of WIEN2k
on the WIEN2k webpage and have it compiled. However, the technician found the
new VERSION string is still Wien2k/13 (not WIEN2k/14) and both WIEN2k tar files
have exactly same size (28860K), so he is wondering if the latest version and
the previous one are exactly the same.
Any comments, suggestions are highly appreciated!
Best wishes,
Bing
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