[Wien] error in vorb

shamik chakrabarti shamikphy at gmail.com
Fri Jun 30 08:36:53 CEST 2017


Dear wien2k users,

                   I have tried to run volume optimization of a 56 atomic
system using GGA+U approach. I have applied U to V (4 atoms) & Ni (8
atoms). However, it is failed to run indicating "error in vorb" in error
file. I am sending the case.indmc & case.inorb file herewith this mail. Any
response in this regard is eagerly awaited.
Thanks in advance.

with regards,

-- 
Dr. Shamik Chakrabarti
Post Doctoral Research Associate
Dept. of Condensed Matter Physics and  Material Science
S N Bose National Centre for Basic Sciences
Kolkata-700098
INDIA
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