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- Fri Feb 22, 2013 8:15 pm
- Forum: Ground state
- Topic: Charge Density calculation on Silicon surface
- Replies: 1
- Views: 2627
Charge Density calculation on Silicon surface
Hi there As a test calculation I have relaxed a Silicon slab with vacuum to confirm the Si(001)-(2x1) surface reconstruction. I have also calculated the projected band structure around the reduced Brillouin Zone for this structure, showing the presence of surface states. Now is it possible to select...