[Wien] esepar0 and eseparmin
Seyyed Amir Abbas Emami
a.a.emami at birjand.ac.ir
Sun Jun 21 09:26:49 CEST 2015
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?
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