[Wien] LDA+U and Bandstructure

fecher fecher at mail.uni-mainz.de
Fri Jan 7 18:58:06 CET 2005


Dear colleagues
A Question to +U specialists:
What is the meaning of the bandstructure in an LDA+U calculation ?
It seems to me that the bandstructure calculated by spaghetti has nothing to 
do with the density of states. I observe bands at energies where the DOS 
exhibits a clear gap.
Or did I just miss something in the manual ?

Thanks in advance.
Ciao Gerhard




More information about the Wien mailing list