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<TITLE>4.4 Color plot of the Fermi velocity and the orbital character on Fermi surfaces</TITLE>
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<H2><A ID="SECTION00054000000000000000">
4.4 Color plot of the Fermi velocity and the orbital character
on Fermi surfaces</A>
</H2>
<P>
You can plot any quantity on Fermi surfaces as a color plot
by using <code>fermisurfer</code> program<A ID="tex2html1"
HREF="footnode.html#foot191"><SUP>1</SUP></A>.
<code>fermi_velocity.x</code> and <code>fermi_proj.x</code> are used
to generate an input file for <code>fermisurfer</code> from the output
of <TT>pw.x</TT>or <code>projwfc.x</code>.
<P>
<code>fermi_velocity.x</code> generates a color-plot of Fermi velocity.
You use it as follows:
<OL>
<LI>Run <TT>pw.x</TT>with <code>K_POINT automatic</code>.
</LI>
<LI>Run
<PRE>
$ fermi_velocity.x -in {pw.x input file}
</PRE>
</LI>
<LI><code>vfermi.frmsf</code> is generated
</LI>
</OL>
<P>
<code>fermi_proj.x</code> generates a color plot of an orbital character.
You use it as follows:
<OL>
<LI>Run <TT>pw.x</TT>with <code>K_POINT automatic</code>.
</LI>
<LI>Run <code>projwfc.x</code> just to generate <code>{prefix}.save/atomic_proj.*</code>.
</LI>
<LI>Run
<PRE>
$ fermi_proj.x -in {input file}
</PRE>
Input-file format is as follows:
<PRE>
&PROJWFC
{The same as the input of projwfc.x}
/
{Number of target wavefunctions}
{Index of target WFC1} {Index of target WFC2} {Index of target WFC3} ...
</PRE>
It generates
<!-- MATH
$\sum_{i=1}^{n_{\rm target}} |\langle \varphi_{{\rm target}(i)}^{\rm atom}|\varphi_{n k} \rangle|^2$
-->
<IMG STYLE="height: 2.51ex; vertical-align: -0.63ex; " SRC="img2.png"
ALT="$\sum_{{i=1}}^{{n_{\rm target}}}$">|〈<IMG STYLE="height: 2.91ex; vertical-align: -1.11ex; " SRC="img3.png"
ALT="$\varphi_{{{\rm target}(i)}}^{{\rm atom}}$">|<IMG STYLE="height: 1.69ex; vertical-align: -0.67ex; " SRC="img4.png"
ALT="$\varphi_{{n k}}^{}$">〉|<SUP>2</SUP>,
where <I>n</I><SUB>s</SUB> and <!-- MATH
${\rm target}(i)$
-->
<I>target</I>(<I>i</I>) are
the number of the target wavefunctions
and the indices of target wavefunctions, respectively.
</LI>
<LI>The above quantity is written into <code>"proj.frmsf"</code>,
which can be read by FermiSurfer program.
</LI>
</OL>
<P>
There is an example of <code>fermi_velocity.x</code> and <code>fermi_proj.x</code>
in <code>fermisurf_example/</code>.
<P>
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