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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