[Wien] error in opticc with soc

Nirpendra Singh nsingh.phy at gmail.com
Sat Sep 4 09:11:21 CEST 2010


Dear wien2k users
              I have a question regarding opticc with spin orbit coupling
(SOC). After convergence with SOC,  I was trying to calculate optical
spectra with "x opticc -so -up"  script but it produce NaN in
case.mat_diagup file. There is no problem in opticc when i converge the
system without SOC. If anyone get this type of problem before, OR know how
to correct this error. kindly share your experience with me.


with regards

nsingh
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