Hi
plotrho.x in some cases refuses plotting electron density contour map and
just plots the black circles showing atom's cores.
It is weird since with the same input file on another computer system I can
get the right map. I 'd like to know that there is some dependencies between
plotrho.x and writing postscript(ps) files in a computer system or
something else can cause the issue ?!
the input files:
&inputpp
prefix = 'Arm-55-O2-2eb'
outdir = '../tmp/'
filplot = 'A2-p-charge'
plot_num= 0,
/
&plot
nfile=1,
iflag = 2,
output_format = 2,
weight(1)=1.0,
fileout = 'A2.p.rho.dat',
e1(1)=8.0, e1(2)=0.0, e1(3)=0.0,
e2(1)=0.0, e2(2)=8.5, e2(3)=0.0,
x0(1)=-1.0, x0(2)=0.0, x0(3)=0.0,
nx=200, ny=200 /
A2.p.rho.dat
A2.p.rho.ps
n
0.0 0.5 12
Best Wishes, m
----------------------------------------
Masoud Nahali
International School for Advanced Studies (SISSA)
Babol University of Technology (NIT)
masoud.nahali at gmail.com
alum.sharif.edu/~m_nahali
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