Hi Dan,
pp.x is a bit sensitive to commas and spaces in my experience. The "safest"
way for me is to edit the input file in a terminal and not a more
sophisticated text editor (they might add spaces etc for formatting).
The "easiest" way to calculate this energy profile for me is to use pp.x
(plot_num=11) and then the average.x code to average in xy.
cat > pp.in << EOF
&INPUTPP
prefix='xxx',
outdir='./'
filplot='pot.dat'
plot_num =11
/
EOF
cat > average.in << EOF
1
pot.dat
1.0
300
3
3.00000
EOF
pp.x <pp.in
average.x <average.in
hope that helps!
Chris
--
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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