[Pw_forum] Zero of the electrostatic potential ?

[Vladan Stevanovic]

Dear Quantum-ESPRESSO users,

I am using QE for simulations of transition metal clusters. My question 
is where the code places the vacuum level in such calculations 
(nonperiodic systems in a big cell) ? To formulate differently, is it 
possible to compare directly KS eigenvalues from different calculations ?


Thanks,
Vladan Stevanovic

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Assistant-doctorant
EPFL SB IRRMA-GE
PH H2 435 (Bâtiment PH)
Station 3
CH-1015 Lausanne
tel. : +41 (0)21 693 51 08
e-mail : vladan.stevanovic at epfl.ch
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