[Pw_forum] error in parallel run

Giuseppe Piero Brandino gbrandino at gmail.com
Tue Nov 21 00:16:47 CET 2006


 Dear espresso user,
i have some questions about the pp.x program.
Asking the code to write the potential, for example

plot_num=11=the V_bare + V_H potential,

does it print the potential or the potential energy?
I know that it prints it in Rydberg, so an energy.
How do i get the potential? simply dividing by e
or dividing by the total (ionic and electronic) charge density
in each point?

Something else,
is there a simple way to get the total charge density (electronic + ionic)
from pp.x?


Thanks in advance,

Giuseppe Brandino
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