[Pw_forum] plot the wave functions

Jan Felix Binder janfelix.binder at epfl.ch
Fri Oct 8 14:01:46 CEST 2010


use the post processing program pp.x.
for the input you can use something like this:

 &INPUTPP
    prefix='Ge64-k8',
    outdir='/home/jfbinder/Ge/xps/cube8/temp/'
    filplot = 'wave.dat',
    plot_num = 7,
    kpoint = 1,
    kband=294,
    lsign=.true.
 /
 &PLOT
    nfile = 1,
    fileout = 'wave.cube',
    iflag = 3,
    output_format = 6,
 /


shudong wang wrote:
> Dear developers and users:
> How can I get the wave functions of top valence band and bottom 
> conduction band? I want to plot the functions at some special points 
> like gamma.
>  
> Thanks!
>  
> S.D.Wang
> ------------------------------------------------------------------------
>
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