[Wien] GaN film with monolayer

[Gavin Abo]

Something is probably wrong with your struct file 
[http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07816.html]. 


Did you run 'x symmetry ' and 'cp case.struct_st case.struct ' 
[http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08383.html]?

On 11/14/2013 4:49 AM, mourad boujnah wrote:
> Dear wien2k users and developer,
>
> I tried to calculate the GaN film with monolayer, during the 
> initialization i get the following error
>
> *Error in DSTART
>  'ROTDEF' - no symmetry operation found.
>  'ROTDEF' - for jatom, index   1 2 *
> *
>  'ROTDEF' - atomposition of jatom   0.1666667   0.6666667 0.0000000
>  'ROTDEF' - atomposition of index   0.3333333   0.3333333 0.0441878 *
>
> Thank you for reading this mail.
> Any comment will be very helpful for me.
>
> Cordially.
>
> -- 
> Mourad BOUJNAH
> PhD Student in laboratory of magnetism and physics of high energy
> Faculty of Sciences in Rabat - Morocco
> Tel: _+212 __677316706_
> Email: _boujnah.mourad at gmail.com <mailto:boujnah.mourad at gmail.com>
> _/"Research is to see what everybody else has seen, and to think what 
> nobody else has thought"/
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