[Wien] Ghost band error in anatase TiO2

shamik chakrabarti shamik15041981 at gmail.com
Fri Aug 28 18:01:30 CEST 2020


Dear Wien2k users,

                          I am obtaining Ghost band error at the first
cycle during running anatase TiO2 (struct file attached). I have changed
the Rmt of Ti to a higher value than that obtained from the original struct
file, however, still not able to eradicate the error.

Looking forward to your suggestion in this regard.

with regards,

-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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