[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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