[Wien] ENE Si vacancy

[fabella]

Hello again,

The information you have provided has been a great help.

The vacancy formation energy for Si (3.32 eV, for my present 
calculation)

You're right, the energy lost due to the vacancy is approx 580 Ry per 
Silicon.

* I would like to have a clarification on the number of atoms per 
supercell :

When creating my supercell (Si crystal) 2x2x2 Primitive i have obtained 
32 atom supercell according to the struct file.  This has been reduced 
to 26 atoms (25 + vacancy) in the CXY crystal symmetry.

My question is that when i look in the SCF2 file the number of valence 
electrons corresponds to 64 atoms (63 + vacancy), therefore i have come 
to the conclusion that my supercell (above) represents 64 atoms instead 
of 32 (clearly this can be seen SCF2 and also XcrysDen).

Is this correct?  The calculations above assume so!

Thankx Again

Wesley