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- Sun May 11, 2014 11:34 pm
- Forum: Ground state
- Topic: InAs slab abinit
- Replies: 0
- Views: 1412
InAs slab abinit
I would like to calculate the total energy for an InAs slab, i need there to be a vacuum between adjacent slabs, i was wondering if anyone had any tips on what parameters to use for this type of structure? i decided to use the 8 atom unit cell with an extra 8 hydrogen atoms for passivation, i scaled...