[Wien] electron density plots
Jack London
yshzhang88 at yahoo.com
Fri Jul 16 18:27:24 CEST 2004
Dear all
I want to plot the electron density of (111) surface.
You know, the angle between x and y direction is 120
degree. Using correcte origin, x-end and y-end (the
angle between x and y is 120 degree) , I also chose
"NONORTHO" in case.in5.
After run "x lapw5", then used "rhoplot" to plot
electron density, I found the angle between two
direction(x and y) is equals to 90 degree not 120
degree and the positions of atoms are not correct.
I don't know why.
Anybody can give me some hint to solve such a problem.
thanks in advance!
Best Regards
Zhang
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