Re: [SIESTA-L] Fermi level in Siesta

- From: Oleksandr Voznyy [mailto:[EMAIL PROTECTED] Sent: Tuesday, February 06, 2007 9:21 AM To: A.S. Subject: Re: [SIESTA-L] Fermi level in Siesta The zero-energy level in Siesta is defined as the mean value over the unit cell of the delta V_H, defined in Section 4 of the technical paper of Siesta

Re: [SIESTA-L] Fermi level in Siesta

Dear Andrey, I do not know whiuch the energy reference chosen by Siesta, but actually you shouldn't care. Whatever this choice might be, it is by definition arbitrary. As you correctly state, once you refer your eigenvalues to the calculated we-don't-know-how Fermi level, you'll obtain cons

Re: [SIESTA-L] Fermi level in Siesta

Hi Siesta users, I am wondering if anyone knows why the Fermi energy computed by Siesta comes out to be negative? Where does Siesta count the energy from? - I am sure, it does not count it from the ground state. At the same time, the computed bands are very similar between Siesta and other re