[Wien] Ghost band error

[Dr. K. C. Bhamu]

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 <shamikphy at 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
>
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