and your Al slab extends from z=0 to z=82 bohr. Based on this data, a good choice of emaxpos & eopreg would be:
emaxpos=0.77 eopreg=0.05 An important thing when applying strong electric fields (which is your case) is to check against the electron field emission (i.e. that a fraction of electrons doesn't spill to a dipole layer). This can be verified by inspecting a charge density in the vacuum region (or even better a charge density difference between a slab under electric field and no field). Best regards, Tone -- Anton Kokalj J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel: +386-1-477-3523 // fax:+386-1-477-3822) Please, if possible, avoid sending me Word or PowerPoint attachments. See: http://www.gnu.org/philosophy/no-word-attachments.html
