dear users wien2k
>
> As i know esepar0 is initial energy for searching low and high states and
> eseparmin is minimum gap for seperation low and high states.
> Now i have two question:
> Is the above statement correct?
> How can i determine esepar0 and eseparmin from DOS? ( i read all lecture
> about that but i am not sure )
>
> Moreover in scf2 there is a sentence like:
>
> Energy to separate low and high energystates: -1.200
>
> and usually there is a gap at that energy. Now can i use the width of that
> gap as a eseparmin?
_______________________________________________
Wien mailing list
[email protected]
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/[email protected]/index.html
