[Wien] MBJLDA potential

2009-06-08 Thread Yurko Natanzon
Dear Prof. Blaha, Could you please inform, if the public availability of MJBLDA potential (as described in F. Tran P. Blaha, PRL 102, 226401) in Wien2k is planned? As far as I understood, this potential is applied to both MT-spheres and the interstitial region, as it is orbital independent. Will

[Wien] 'l2main' - QTL-B.GT.15.; Ghostbands, check scf files

2009-06-08 Thread Ulrich Wedig
Dear colleagues, this is not a question, it's just a note. Since 2 weeks I got the following error message when computing several cases with WIEN2k 9.1: 'l2main' - QTL-B.GT.15.; Ghostbands, check scf files There are a lot of hints in the manual, the FAQs and the mailing list about this topic,