[Wien] Band structure not similar with DOS in LSDA+U+SOC

2013-03-16 Thread SANJAY KUMAR SINGH
Respected Prof. P Balha Sir and all wien2k users, I am facing a problem with LSDA+U+SOC calculation. When i am computing band structure and DOS then it seem different means position of all flat f-bands in band structure are not at same position in DOS. Please comment on my issue. Regards, *"D

[Wien] Band structure not similar with DOS in LSDA+U+SOC

2013-03-16 Thread Peter Blaha
Most likely a mistake from your side, but it is hard to guess ... Most likely you forgot a switch -so -orb in some of the programs when doing DOS or bands Am 16.03.2013 08:57, schrieb SANJAY KUMAR SINGH: > Respected Prof. P Balha Sir and all wien2k users, > > I am facing a problem with