[Pw_forum] coutour plot

MAPASHA REFILWE sengere at webmail.co.za
Sat Mar 3 11:32:10 CET 2012


Dear QE users,
I am a researcher on graphene and bilayer graphene 

I want to plot the contour plot of charge densities between molecular hydrogen
and  bilayer graphene.

I M failing to find the plot correct.

I have gone through the QE doc and example 05 of silicon but it does not
materialise. 

Here is my charge density input file (pp_rho.in)

&inputpp
    prefix  = 'graphite'
    filplot = 'graphitecharge'
    outdir = 'tmp'
    plot_num= 0
 /
 &plot
    nfile = 1
    filepp(1) = 'graphitecharge'
    weight(1) = 2.0
    iflag = 2
    output_format = 2
    fileout = 'graphite.rho.dat'
    e1(1) =1.0, e1(2)=0.0, e1(3) = 0.0,
    e2(1) =0.0, e2(2)=0.75, e2(3) = 0.0,
    x0(1)=0.00, x0(2)=0.00, x0(3)=0.00,
    nx=100, ny=100
 /


Please help me.


Regards-

Edwin Mapasha 
PhD student
University of pretoria, South Africa.


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