the effect of XC_GRID section
jiabo le
lejia... at 163.com
Mon Nov 10 18:51:38 UTC 2014
Does anyone know the effect of section &XC_GRID for a CP2K input file, is
this section necessary for running GEO-OPT? The XC functional I choose is
PBE.
&XC_GRID
XC_SMOOTH_RHO NN10
XC_DERIV SPLINE2_SMOOTH
&END XC_GRID
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