[Pw_forum] plotrho.x refuses plotting charge !

Masoud masoudnahali at gmail.com
Thu Aug 2 16:43:22 CEST 2012


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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