Dear Shamik, I am also facing the same issue. I am trying to solve it. I found some useful links:
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10561.html http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg09836.html http://www.wien2k.at/reg_user/faq/qtlb.html Please have a look on it. Kind regards Bhamu On Thu, Oct 13, 2016 at 7:58 PM, shamik chakrabarti <shamik...@gmail.com> wrote: > 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 > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > wien@zeus.theochem.tuwien.ac.at/index.html > >
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