[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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