Hello superiors,
I am looking for a method (which is compatible with VASP) to do Transport calculations on Surface Slab (say 111, 001 or 110 surface ).
I can do bulk transport calculation using BoltzTrap. BoltzTrap need space group for the calculation and I can easily provide space group for Bulk.
But when I am doing for an Surface what is the space group I need to give in BoltzTrap ??
My 2nd question is ----
how I can do Spin-Transport calculation on the surface of Topological Insulators ?
I will highly appreciate your anykind of comments.
Best Regards & Thanks,
Chanchal
Hello sir,
Thank you very much for your kind reply.
As there is already a model BoltzTrab, i was thinking whether boltztrap can do the surface transport or not ....May be there need a bit modification in the module.
regards,
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