With such small RMTs it is clear that the structure is wrong.
Am 28.08.2020 um 18:01 schrieb shamik chakrabarti:
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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