[Wien] new version of WIEN2k with update NMR code

2014-03-20 Thread Bing Zhou
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

Re: [Wien] new version of WIEN2k with update NMR code

2014-03-20 Thread Gavin Abo
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:

Re: [Wien] new version of WIEN2k with update NMR code

2014-03-20 Thread Bing Zhou
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

[Wien] new version of Wien2k

2012-07-10 Thread ali ghafari
Dear Prof. Blaha When can we download the new version of Wien2k? Best Regards Ali -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120710/57a0bc82/attachment.htm

[Wien] new version of Wien2k

2012-07-09 Thread ali ghafari
Dear Prof. Blaha In the webpage of Wien2k, the new version of UG WIEN2k 12.1 is available. while there?isn'tany new version of code in the webpage. How can I download the new version? Best Regards Ali -- next part -- An HTML attachment was scrubbed... URL: