[SIESTA-L] Electrostatic Potential

2018-04-10 Por tôpico Laura O.
Dear users, I need to know the value of the total electrostatic potential of a molecule, defined as the sum of the hartree potential plus the local pseudopotential. I produced SystemLabel.VH. How can I do it? Best, Laura

[SIESTA-L] electrostatic potential

2018-04-10 Por tôpico laura.o.vendrame
Dear users, I need to know the value of the total electrostatic potential of a molecule, defined as the sum of the hartree potential plus the local pseudopotential. I produced SystemLabel.VH. How can I do it? Best, Laura