many thanks! best wishes! -------------------------------------------- On Thu, 3/20/14, Gavin Abo <gs...@crimson.ua.edu> wrote:
Subject: Re: [Wien] new version of WIEN2k with update NMR code To: "A Mailing list for WIEN2k users" <wien@zeus.theochem.tuwien.ac.at> Received: Thursday, March 20, 2014, 10:48 PM 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 _______________________________________________ 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/wien@zeus.theochem.tuwien.ac.at/index.html _______________________________________________ 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/wien@zeus.theochem.tuwien.ac.at/index.html