[Wien] problem while plotting Electron density of othorhombic structure

[Tomas Kana]

Dear GM Rai, 

Would you specify more what the problem is? 

The data in your case.in5 indicate that the origin 

is in (0 0 0),  first end  in (0 1 0) and second end in (1 0 1).

This should work for an orthorhombic structure, too, 

for the numbers (the tree nominators and the fourth 

denominator) specify direct coordinates of the points on your plane.

Maybe try number of shells 

3 3 3 

instead of 

3 2 3

Tomas 




"

Dear Wien2k user,



I am facing trouble to plot electron density of orthorhombic structure. I 
can easily plot electron density for cubic structure having following 
planes,




0 0 0 1

0 1 0 1

1 0 1 1

3 2 3




Any one suggest me the planes for orthorhombic structure,




Regards 



-- 


Dr. G. Murtaza






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