[Wien] Total DOS are not equal to sum of individial Total DOS of atom in LuN

[SANJAY KUMAR SINGH]

Respected Prof. P. Blaha and Dear all wien2k Users,

When I calculated ( by EV-GGA) Total DOS of  LuN, Lu and N, then the
sum of Total DOS of individual atoms are not found equal to the total
DOS of LuN. I think it should be equal. I am also not getting f-band
in DOS of Lu but in band structure I found flat band ( which may be
f-band) hybridization  with p bands just bellow the Fermi level. I
have successfully calculated for other material in this series. May I
request you all to kindly give me any suggestion on  this issue. Why I
am not getting  f-band in Lu partial DOS and sum of densities are not
equal. I am waiting for your kind response. I will be very grateful to
you.


Regards,

Sanjay


*"DO HELP WHO NEED HELP"*


*SANJAY KUMAR SINGH*

SCHOOL OF STUDIES IN PHYSICS

JIWAJI UNIVERSITY, GWALIOR - 474 011

MADHYA PRADESH, INDIA

Mobile : +91-9229979962

PHONE  : +91-751-2442781,  (Office)

FAX  : +91-751-2442784