Dear developers, in order to perform some quantitative calculations we would need to know precisely the conventions used in the postprocessing output of pp.x regarding the following points:
plot_num = 1: is this the potential or the potential energy, that is, in atomic units is there a multiplicative factor e=sqrt(2) (electric charge) or not? iflag = 0: does the sperichal average include a normalization factor 1/(4 pi) or not? Alternatively, we may check the appropriate code: which one? Thanks a lot for your time. -- Cristian Degli Esposti Boschi CNR-IMM, Sezione di Bologna, via Gobetti, 101, 40129, Bologna, Italia tel. ++39 051 6399152, fax ++39 051 6399216 email: degliesposti -AT- bo.imm.cnr.it web: www.bo.imm.cnr.it/site/staff/personal_pages/degliesposti/