[Pw_forum] plot_num in pp.x

Ruibin Liu rainbee1988 at gmail.com
Fri Jan 4 20:33:35 CET 2013


Hi everyone,

In pp.x, it says that if we set plot_num=0, we can get a file of "charge"
and if plot_num equals to 9, we can get "reduced density gradient". What do
'charge' and 'density' here mean? Are they only related to the electrons
that the pseudopotential files count? If we replace the charge density
variable in Poisson equation and solve it, what can we get for the
'potential'?

Thanks,
Ruibin
-- 
*Liu, Ruibin*
Department of Chemistry
Duke University
Durham, NC, 27708
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