grid spacing for cube files
S Ling
lingsa... at gmail.com
Mon Jun 22 13:38:42 UTC 2015
Hi
I understand the grid spacing in a cube file printed out from a CP2K
calculation can somehow be adjusted by using different CUTOFF or setting
different STRIDE values. Is it possible to manually specify the number of
grid points along each lattice vector when printing out cube files using
CP2K?
Thanks,
SL
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