[Wannier] hopping in supercell, wich k-points grid?
autieri at sa.infn.it
Wed May 2 15:46:30 CEST 2012
Dear Wannier90 users, I kindly ask a simple suggestion.
I am trying to calculate the hopping parameters in a supercell with a large z-axis using wannier90.
The z-axis is 10 times longer than the other axes. Morover, the system is quasi two-dimensional.
I used 10 X 10 X 1 k-points grid. Is it enough for a good estimation of hopping parameters?
The calculation is very expensive for my machine. Do you think that a 8 X 8 X 2 grid should be really better?
Universita' di Salerno (Italy)
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