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<div>Dear Sang-Hwan:
<BR>
In addition to Lan Haiping's words, I introduce you a easy method to plot DOS with Ef=0eV:
<BR>
(1) Find the Ef in the output file of self consistent calculation(e.g. Ef=0.0345Ry);
<BR>
(2) plot DOS with gnuplot : plot '*.DOS' using ($1-0.0345):2 with line
<BR>
where the 1st column should be Energy and the 2nd column should be the corresponding DOS.
<BR>
with ($1-0.0345), the all energy values will go down for 0.0345Ry together, letting the fermi level coincide
<BR>
with 0 Ry in the graph.
<BR>
<BR>
Best Wishes!
<BR>
<BR>
Yours Sincerely
<BR>
L.F.Huang
<BR>
------
<BR>
======================================================================
<BR>
L.F.Huang(黄良锋) <A href=mailto:lfhuang@theory.issp.ac.cn>lfhuang@theory.issp.ac.cn</A>
<BR>
======================================================================
<BR>
Add: Research Laboratory for Computational Materials Sciences,
<BR>
Instutue of Solid State Physics,the Chinese Academy of Sciences,
<BR>
P.O.Box 1129, Hefei 230031, P.R.China
<BR>
Tel: 86-551-5591464-328(office)
<BR>
Fax: 86-551-5591434
<BR>
Web: <A href=http://theory.issp.ac.cn target=_blank>http://theory.issp.ac.cn</A</FONT><FONT color=#444444>> (website of our theory group)
<BR>
<A href=http://www.issp.ac.cn target=_blank>http://www.issp.ac.cn</A</FONT><FONT color=#444444>> (website of our institute)
<BR>
======================================================================
<BR>
<BR>
<BR>
</FONT><FONT color=#444444>> Date: Wed, 15 Oct 2008 23:02:14 -0500
<BR>
</FONT><FONT color=#444444>> From: <A href=mailto:ski2@mail.uh.edu>ski2@mail.uh.edu</A>
<BR>
</FONT><FONT color=#444444>> Subject: [Pw_forum] DOS plot
<BR>
</FONT><FONT color=#444444>> To: <A href=mailto:pw_forum@pwscf.org>pw_forum@pwscf.org</A>
<BR>
</FONT><FONT color=#444444>> Message-ID:
<BR>
</FONT><FONT color=#444444>> Content-Type: text/plain; charset="us-ascii"
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Dear All,
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> I have two simple questions about Fermi level and DOS.
<BR>
</FONT><FONT color=#444444>> For insulator electronic structure calculations, is the Fermi level evaluated set to the top of a valence band?
<BR>
</FONT><FONT color=#444444>> When DOS plotted, is the Fermi level manually set to zero by shifting the value achieved self consistently in a scf.out file?
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Best Wishes,
<BR>
</FONT><FONT color=#444444>> Sang-Hwan
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Department of Chemistry
<BR>
</FONT><FONT color=#444444>> University of Houston
<BR>
</FONT><FONT color=#444444>> 136 Fleming Building
<BR>
</FONT><FONT color=#444444>> Houston, TX 77204-5003
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</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Message: 2
<BR>
</FONT><FONT color=#444444>> Date: Thu, 16 Oct 2008 14:05:22 +0800
<BR>
</FONT><FONT color=#444444>> From: "lan haiping"
<BR>
</FONT><FONT color=#444444>> Subject: Re: [Pw_forum] DOS plot
<BR>
</FONT><FONT color=#444444>> To: "PWSCF Forum"
<BR>
</FONT><FONT color=#444444>> Message-ID:
<BR>
</FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> Content-Type: text/plain; charset="iso-8859-1"
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</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Hi,
<BR>
</FONT><FONT color=#444444>> Actually, you should align with fermi level yourself when preparing DOS
<BR>
</FONT><FONT color=#444444>> plot.
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Regards
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> On Thu, Oct 16, 2008 at 12:02 PM, wrote:
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> Dear All,
<BR>
</FONT><FONT color=#444444>> >
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> I have two simple questions about Fermi level and DOS.
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> For insulator electronic structure calculations, is the Fermi level
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> evaluated set to the top of a valence band?
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> When DOS plotted, is the Fermi level manually set to zero by shifting the
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> value achieved self consistently in a scf.out file?
<BR>
</FONT><FONT color=#444444>> >
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> Best Wishes,
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> Sang-Hwan
<BR>
</FONT><FONT color=#444444>> >
<BR>
</FONT><FONT color=#444444>> >
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> Department of Chemistry
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> University of Houston
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> 136 Fleming Building
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> Houston, TX 77204-5003
<BR>
</FONT><FONT color=#444444>> </FONT><FONT color=#444444>> _______________________________________________
<BR>
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</FONT><FONT color=#444444>> >
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</FONT><FONT color=#444444>> >
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> --
<BR>
</FONT><FONT color=#444444>> Hai-Ping Lan
<BR>
</FONT><FONT color=#444444>> Department of Electronics ,
<BR>
</FONT><FONT color=#444444>> Peking University , Bejing, 100871
<BR>
</FONT><FONT color=#444444>> <A href=mailto:lanhaiping@gmail.com>lanhaiping@gmail.com</A>, <A href=mailto:hplan@pku.edu.cn>hplan@pku.edu.cn</A>
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