Hi all,
I calculate the properties of CNT and CNT_Cl structure by DMOL. I get the fermi level from the code is -4.55 and -5.25.
Can we compare these two values? CAn I say the fermi level shifts dow amount of 0.7 eV? I don't know these two systems have the same standard energy or not?
Another thing is that what is the potential of vacuum (if I put large vacuum in supercell)?
I appreciate all your help.
Sincerely,
Dinh Loc Duong
I calculate the properties of CNT and CNT_Cl structure by DMOL. I get the fermi level from the code is -4.55 and -5.25.
Can we compare these two values? CAn I say the fermi level shifts dow amount of 0.7 eV? I don't know these two systems have the same standard energy or not?
Another thing is that what is the potential of vacuum (if I put large vacuum in supercell)?
I appreciate all your help.
Sincerely,
Dinh Loc Duong
