I expect to release WIEN2k_14.1 within he next days. ---------------------------------------- Von:Gavin Abo <gs...@crimson.ua.edu> Datum:31.08.2014 01:31 An:A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
Wien2k 13.1 contains 1) additional features that help new users like you (for example, the initialization script init_mbj_lapw for mBJ calculations) and 2) fixes to bugs that were found in the 12.1 version [ http://www.wien2k.at/reg_user/updates/ ]. So why are you installing 12.1 instead of 13.1, because as a licensed Wien2k user, you can get 13.1 in the same "Code download" area on the Wien2k website as 12.1 [ http://www.wien2k.at/reg_user/index.html ]? Even if you went through all the posts in the Wien2k mailing list archive [ http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/ ] to repair problems in 12.1, there are still additional fixes to 12.1 in the 13.1 source code (likely resolved by the developers in private communications). So the smart thing to do would be to use 13.1 as you could end up wasting your time tracking down and fixing bugs in 12.1 that have already been fixed in 13.1 instead of doing calculations. Unfortunately, there are some bugs that were found in 13.1 and 14.1 has not been released yet with the fixes. Though, at least you can find many of the fixes in the mailing list as they relate to 13.1 (whereas you would likely have to spend additional time making further fixes to a previous Wien2k version as the line numbers can be different due to code changes; Since you would likely not get any support for old Wien2k versions from the Wien2k community, maintaining an old version like 12.1 on your own could be difficult). _______________________________________________ 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
