[Wien] Total DOS Problem

SANJAY KUMAR SINGH sanjayfizix at gmail.com
Wed Aug 10 15:00:49 CEST 2011


Respected Prof. P. Blaha Sir & All WIEN2k Users,

Sir, I am facing a problem from last two days and I am unable to resolve
this problem.
When I calculating Total DOS of a f-band material by LSDA+U method then
contribution from f-state  is minor but in PDOS it seems large peaks(it
should be in total DOS).
Earlier, there is no problem like this. Can any one guide me. I will be very
grateful to you.


With Kind Regards and Thanks,

*SANJAY KUMAR SINGH*
CONDENSED MATTER THEORY GROUP
SCHOOL OF STUDIES IN PHYSICS
JIWAJI UNIVERSITY
GWALIOR - 474 011 (M.P.), INDIA
Mobile : +91-9200679799
PHONE  : +91-751-2442777  (Office)
FAX  : +91-751-2442784
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