Hi Evan, regarding your question below, various times I had to extract the potential with the same parameters for pp.x
AFAIK the units used in that case are ATOMIC RYDBERG UNITS, that means Rydbergs (Ry) for energy, and 1 Ry = 13.6057 eV Cheers >Hello, everyone >I output the potential by pp.x (iflag = 3, output_format = 5), I like >to know what is the unit of the potential, and how to convert to the >unit with eV. >Thank you in advance. >Evan >USC, China -- 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/ _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum