Dear Wien Users

I am currently calculating the elnes for graphene.  I am doing this by increasing
the c parameter in a ABAB graphite unit cell.  I compared my results to a 
calculation of graphene sheets stacked in an AAAA arrangement with the same 
spacing.  

The ABAB structure has 2 inequivalent atoms, each with a multiplicity of 2.  The 
AAAA stracture hace one inequivalent atom also with a multiplicity of 2.  When I 
compare the DOS of the two structures, they are similar.  If I compare the ELNES 
from the AAAA structure with that of one of the inequivalent atoms in the ABAB 
structure, it's about a factor of 2.5 smaller.

If anyone has any thoughts on the matter I would be very grateful!

best wishes

Rebecca Nicholls


