[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

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