The statement is not correct. See section "7.7.3 Input" of the WIEN2k
14.2 usersguide (page 124) [
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ], where it says
that "EF-esepermin" is the start energy for the search and eseper0 is
the minimum gap width. It is known that there are typographical errors
[
https://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg02072.html
] on page 40 (pdf page 52) with regards to esepermin and eseper0 in
"Density Functional Theory and the Family of (L)APW-methods:a
step-by-step introduction" [
http://www.wien2k.at/reg_user/textbooks/DFT_and_LAPW_2nd.pdf ].
On 6/21/2015 1:26 AM, Seyyed Amir Abbas Emami wrote:
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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