too many layers
Posted: Thu Apr 28, 2011 4:26 pm
hi,
when creating a supercell for surface calculations, is there such a thing as "too many" layers of bulk? I know that an inadequate number of layers is bad, but what about too many layers? Is it only the computational cost that we have to worry about or is there something else like possible large dipole in the supercell?
Can someone comment, please.
Thanks.
when creating a supercell for surface calculations, is there such a thing as "too many" layers of bulk? I know that an inadequate number of layers is bad, but what about too many layers? Is it only the computational cost that we have to worry about or is there something else like possible large dipole in the supercell?
Can someone comment, please.
Thanks.