[Wien] Band gap correction

[Dimitris Kechrakos]

Dear Wien2k users

I am interested in calculating defect states in a wide gap semiconductor 
(eg ZnO)
and I am faced with the well-known problem of getting a much underestimated
band gap, even when I implement the GGA approximation (P-B-E '96 potential).

Is it possible to correct the estimated band gap using a 
phenomenological approach
(as opposed to ab-initio) as for example, "scissors operators", rigid 
shift of conduction band, etc
within the Wien2K code ?

Dimitris
 

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Dr Dimitris Kechrakos
Institute of Materials Science  
National Center of Scientific Research "Demokritos"
153 10 - Agia Paraskevi
Athens, GR
tel:  +30-210-650 3335 
fax:  +30-210-653 3872
email: dkehrakos at ims.demokritos.gr