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<div class="moz-cite-prefix">The statement is not correct. See
section "7.7.3 Input" of the WIEN2k 14.2 usersguide (page 124) [
<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/textbooks/usersguide.pdf">http://www.wien2k.at/reg_user/textbooks/usersguide.pdf</a> ], 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 [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg02072.html">https://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg02072.html</a>
] 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" [
<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/textbooks/DFT_and_LAPW_2nd.pdf">http://www.wien2k.at/reg_user/textbooks/DFT_and_LAPW_2nd.pdf</a> ].<br>
<br>
On 6/21/2015 1:26 AM, Seyyed Amir Abbas Emami wrote:<br>
</div>
<blockquote cite="mid:1434871609539657421@birjand.ac.ir" type="cite">
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dear users wien2k<br>
<blockquote style="border-left: 2px solid rgb(00, 00, 204);
padding-left: 4px; margin-left: 16px;">
<div style="font-family: Arial; font-size: 10pt;"><br>
As i know esepar0 is initial energy for searching low and
high states and eseparmin is minimum gap for seperation low
and high states.<br>
Now i have two question:<br>
Is the above statement correct?<br>
How can i determine esepar0 and eseparmin from DOS? ( i read
all lecture about that but i am not sure )<br>
<br>
Moreover in scf2 there is a sentence like:<br>
<br>
Energy to separate low and high energystates: -1.200<br>
<br>
and usually there is a gap at that energy. Now can i use the
width of that gap as a eseparmin?</div>
</blockquote>
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