k-point in CP2K
Lila Bouëssel Du Bourg
lil... at gmail.com
Mon Mar 2 13:02:31 UTC 2015
Hi everyone,
To make it short, what is the weight of a k-point ? If we want more than
one kpoint, do we just need to repeat "kpoint" with other coordinates ? Are
the coordinates in Brillouin zone ? What am I suppose to write after
"scheme" ?
For exemple, if I have one cell of 5A, 5A and 10A and that I want 2x2x1
kpoints, how do I implement that ?
Thanks for helping !
Lila
PS: http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/KPOINTS.html
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