[QE-users] Regarding Vacuum level
mohaddeseh abbasnejad
m.abbasnejad at gmail.com
Fri Jul 20 21:36:38 CEST 2018
Dear users,
Hello,
I have faced with a problem which though it is simple, I can not do it.
Actually, I want to plot data of density of states with reference to vacuum
level (E_vac).
As it is well understood, the produced data are with reference to average
electrostatic potential (E_aep).
However, I have calculated the vacuum level (E_vac) using work function
calculations.
I was wondering if that is correct to obtain the data with reference to
vacuum level by shifting the data by E_vac value. I mean that the desired
value will be obtained by subtracting the E_vac from E_aep, setting the
vacuum level as zero energy level. Is it true?
Any comment will be appreciated.
Thanks in advance.
Regards,
Mohaddeseh
Is it correct to just shift data
--
---------------------------------------------------------
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: m.abbasnejad at gmail.com
Website: academicstaff.uk.ac.ir/moabbasnejad
---------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180721/745f2afd/attachment.html>
More information about the users
mailing list