[Wien] Total DOS with spin orbit calculations ?

[SANJAY KUMAR SINGH]

Respected Prof. Peter Blaha Sir and All wien2k Users, Greetings!

As you all know that, only one band structure obtained with  SOC+LSDA+U
calculation.
But what about density of states. Is DOS comes in  combined (up+dn) form or
separately.
Actually, I am facing a problem that, when i am calculating and comparing
total dos of compound with total dos of individual atoms then there is
difference in total dos i.e it shows higher peak (Total DOS of compound)
then the sum of individual  total dos of atom. I thing it should be equal.
I am Calculating band structure and  total DOS with LSDA+U+SOC in NaCl
phase of binary compound.Please comment on my issue.


Thanks and regards,

Sanjay




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*SANJAY KUMAR SINGH*

SCHOOL OF STUDIES IN PHYSICS

JIWAJI UNIVERSITY, GWALIOR - 474 011

MADHYA PRADESH, INDIA

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