[Wien] Does it need to use -orb option in charactization for LSDA+EECE calculations?

[Peter Blaha]

I guess it means you ran:   runsp -eece

When calculating the bandstructures, you need to supply -orb for lapw1; 
i.e.   x lapw1 -up/dn -orb -band     to use case.vorb (generated in the 
scf cycle)

Hamid Abbaszadeh Peivasti schrieb:
> Dear WIEN2k users;
>  
> I uesd LDA by EECE for calculating a case. Does  it need to use -orb 
> option in finding electronic band structures  for LSDA+EECE calculations 
> and in SCF cycles?
> 
> -- 
> H. Abbaszadeh
>  
> 
> 
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