[DFTB-Plus-User] poisson solver with or without GreensFunction

Theodoros Leontiou eng.lt at frederick.ac.cy
Fri Nov 9 07:58:50 CET 2018


Dear dftb+ experts, 

I am interested in calculating the electrostatic potential of a system.
I have successfully done so using the Electrostatics = Poisson  option
of your negf version 

without specifying any device (at least I get some potential which I
plot and makes sense). However, I have not used any other option for the
eigensolver i.e no Eigensolver = GreensFunction. 

How necessary is this ? 

Best 

Theodoros
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