[Wien] Vacncey

[mkhsabra at aec.org.sy]

Dear Wien users;

I am traying to setup a suppercell from InP to calculate the energy level of a 
vacncey. 

I used the supercell program to generate the struct file (2x2x2). I removed 
one atom. I displacement ( or label the atoms) to have an inequivalent atoms.
I start the initialization , it is ok until lstart, where I got the message in 
the initialize cal. home page 

edit inst
error *.inst not consistent with Z
edit *.inst and rerun lstart afterwards or change Z 

So what sholud I do ?

thank you very much

Mohammad Sabra
 

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