[Pw_forum] Question on calculation on LiNiO2

[张 洪彬]

Dear all,
Now I am doing some calculation on LiNiO2, the scf calculation has been 
completed, but when I try to do band and dos calculation, there are some 
problems as follow(appear in both band and dos calculations):
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
    from efermit: error # 1
    unexpected error
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
   stopping...
Please help me and give me some possible solution.
Best regards.
Hongbin Zhang

_________________________________________________________________
与联机的朋友进行交流，请使用 MSN Messenger:  http://messenger.msn.com/cn