Re: [Wien] trouble with generating rxesw file

2015-05-05 Thread Gavin Abo
First, I suggest that you upgrade to WIEN2k 14.2, because some updates have been made to SRC_tetra [ http://www.wien2k.at/reg_user/updates/ , http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11178.html (patch to only WIEN2k 14.1?)]. Second, this might be due to a bug in

[Wien] trouble with generating rxesw file

2015-05-04 Thread Tolhurst, Thomas
Hello, This is an elaboration on an unresolved problem with I am having with rxes calculations. I have asked about this a little bit in a previous post, but the problem has persisted. Any help that can be provided will be greatly appreciated. I am running wien2k version 13.1. I am trying to