[Wien] How to get average electron density on a special crystalline plane?

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Nov 14 14:21:59 CET 2005


I'm not sure if this is what you really want.

Anyway: calculate the density in a plane on a grid (like 100x100 points) and
average over all values. 

> Dear wien2k users:<p>     I would like to know the average electron density on a special crystalline plane, such as (100),(110).And I have looked for related information in mail-list, but there is nothing on this question. Who can tell me how to do. Thanks very much!<p><p>Yours sincerely<p>F. Ma 


                                      P.Blaha
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