[Wien] Ghost band error
shamik chakrabarti
shamikphy at gmail.com
Thu Oct 13 16:28:05 CEST 2016
Dear wien2k users,
We are trying to simulate tetragonal distortion by
doing c/a optimization of a cubic cell. But it shows ghost band error in
the first cycle itself. What could be the remedy?
I am attaching the struct file here with this mail.
with regards,
--
Dr. Shamik Chakrabarti
Research Associate
Electroceramics Lab
Dept. of Metallurgical & Materials Engineering
IIT Kharagpur
Kharagpur 721302
INDIA
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