[Wien] LO more than one

[Peter Blaha]

No.

In most cases I don't think it is necessary, in particular not if you are
interested in energies just 10-20 eV above EF (and not 50 or more).

a) The energy dependency of such high lying states is fairly small (in 
contrast to eg. semicore states)
b) Just set the energy parameters of states which already have a low 
lying LO a bit higher than usual (i.e. not below EF, but eg. 0.5 Ry above EF)
c) If your semicore states are really low (eg. below -5 Ry or so), you can 
remove them for the calculation of the spectra (not for scf!!!) and put 
the LO-energy at a high value instead. 

>  Is it possible to add more than one Local Orbitals(LO) for a specific orbital ?
> I'm interested in high empty states and hope to set reasonable basis fuction
> for the states which locate 10 - 20 eV above Fermi energy.
> I don't think it is possible to set seperate energy window. How can I set for
> those states ?
> 
>  Thank you for your comment and help
> 
>  Yongbin
> 
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 


                                      P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------