[Pw_forum] Dear all, DOS alignment in MoS2

[Wei Zhang]

Dear all,
I am Wei Zhang of the Nanjing Forest Police College of China.  
Recently I am learning the work about doping strategies for MoS2 monolayers (PRB 88, 075420 (2013)) and I have a few questiones to ask:
In Fig3-7, "all the DOSs are aligned to have a common Fermi level, EF = 0"（method 1）,  in Fig11-12,"they are aligned according to their valence and conduction bands"(method 2), 
I am confused by the two methods and do not know their different, and I want to know how to detaily do the two different alignment.
For method 1, does the "Ef=0" in different systems denote the Fermi level directly calculated by pwscf or siesta or vasp without any corrections? or we need aligin the DOS using the same reference such as the semi-core state? 


Thanks and Best wishes!
‍


Wei Zhang,
Department of Criminal Science and Technology,
Nanjing Forest Police College of China
Mobile:+86 13951712624
Office:+86 025-85878791
‍
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