Hi,
I am trying to simulate a flattened nanotube in a box of dimensions approx. 8x8x8. The length of major axis of tube about 6.5A along one of the axis. This means that the tubes could be interacting. I am using automatic mesh generation using Monkhorst Pack.
My question is should I sample the K space only along the tube axis
for example 1 x 1 x 30
or along all the all the axis.
for example
8 x 8 x 8
if there is any good reference for k space sampling it would be nice if you could post it in the response.
KPOINTS
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Re: KPOINTS
Hi,
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