[Wien] Eorb =0 in LDA+U case.outputfiles

Paresh Chandra Rout pareshchandra at iiserb.ac.in
Fri Aug 28 18:00:51 CEST 2015


Dear all,
I am getting Eorb=0 in  case.outorbup and case.outorndn files. I had
applied U values to 9th and 10th atom of my system. The complex and real
part of potential for spin up and dn are also providing zero for all m
values . Does that make any sense for the LDA+U calculation ? Would anybody
kindly explain a little bit  about the out put files whether it is correct
or I have reproduced  it incorrectly ? Here I have attached the output
files.  Any help would be highly appreciated .



Kind Regards
Paresh Chandra Rout
Research Scholar
Indian Institute of Science Education and Research
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