I am a new user of VASP and was wondering if someone could explain the main ideas and concepts about a KPOINTS grid.
I am confused about the difference between 4x4x4 grids and 4x4x1 grids (e.g why are all grids not just nxnxn grids), and also why it is important to choose between even number or odd number grids.
Thankyou
Simple question about KPOINT grids
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discoduck
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Simple question about KPOINT grids
Last edited by discoduck on Fri Dec 03, 2010 10:22 am, edited 1 time in total.
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metosa
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Simple question about KPOINT grids
Examine this:
http://cms.mpi.univie.ac.at/vasp-workshop/
and this
http://cms.mpi.univie.ac.at/vasp-worksh ... points.pdf
http://cms.mpi.univie.ac.at/vasp-workshop/
and this
http://cms.mpi.univie.ac.at/vasp-worksh ... points.pdf
Last edited by metosa on Fri Dec 03, 2010 2:13 pm, edited 1 time in total.