[Wien] Reproducing the data of PRB, 46, 1321

[jadhikari@clarku.edu]

Hi,
I am trying to exactly reproduce the data according to the article PRB,
46, 1321. The EFG parameters for Ti and O never come out to be near the
reported values. Despite trying with different inputs, the output is
always way off.
May be I am missing some basic factor or that I do not know all the minute
details- as I am a novice (1 month old) in this field.

I would be very grateful for any suggestions.
Thanking you.

Sincerely,
Subin Adhikari
Clark University
Worcester, MA 01610
USA