[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?
is there a simple way to get the total charge density (electronic + ionic)
Thanks in advance,
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users