Hi, No. The Fermi energy printed in case.scf (:FER) is the energy of the highest occupied orbital. The Fermi level (related to the work function) has been discussed here: https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09454.html https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17608.html https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03183.html
From: Wien <wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of Mohad Abbasnejad <mohaddeseh.abbasne...@gmail.com> Sent: Friday, October 16, 2020 5:14 PM To: A Mailing list for WIEN2k users Subject: [Wien] Regarding vacuum level in WIEN2k Dear experts, I was wondering if you guide me whether the Fermi energy is referred to the vacuum level or not? In other words, how is it possible to obtain the vacuum level in WIEN2k calculations? Thanks in advance for your help. Regards, Mohaddeseh -- --------------------------------------------------------- Mohaddeseh Abbasnejad, Assistant Professor of Physics, Faculty of Physics, Shahid Bahonar University of Kerman, Kerman, Iran P.O. Box 76169-133 Tel: +98 34 31322199 Fax: +98 34 33257434 Cellphone: +98 917 731 7514 E-Mail: mohaddeseh.abbasne...@gmail.com Website: academicstaff.uk.ac.ir/moabbasnejad --------------------------------------------------------- _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html