Try to change the global energy parameter in case.in1 file from the default value of 0.30 to 0.90 or 1.0
What is your RKmax? Hf would require around 8.00. What is the MT radius (RMT) in the struct file? See by changing it to 2.5. Cheers Suddhasattwa Ghosh _____ From: wien-boun...@zeus.theochem.tuwien.ac.at [mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Pooja Rana Sent: Saturday, December 26, 2009 1:59 PM To: wien at zeus.theochem.tuwien.ac.at Subject: [Wien] QTL-B error Respected sir, during working on HfN,VN, i have faced a problem LAPW2 QTL-B,ghost bands error, i tired of solving this.I have also tried the solution given in FAQ of WIEN2K, but the problem remains as it is,plz give me solution. Thanks in advance. Pooja Rana Research Scholar Condensed Matter Theory Group School of Studies In Physics Jiwaji University, GWALIOR - 474011 (M.P.), INDIA _____ The INTERNET now has a personality. YOURS! See <http://in.rd.yahoo.com/tagline_yyi_1/*http:/in.yahoo.com/> your Yahoo! Homepage. -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20091228/c9f2addc/attachment.htm>