Re: [SIESTA-L] Fermi energy problem in density of states

The energy given for the PDOS is not relative to the Fermi energy, but relative to the vacuum energy ("the program's energy zero"). David 2009/6/8 shihitwh > Dear siesta users, > I have read the siesta-2.0.2 manual, and I wonder the > ProjectedDensityOfStates. The manual said that The block mus

[SIESTA-L] Fermi energy problem in density of states

Dear siesta users, I have read the siesta-2.0.2 manual, and I wonder the ProjectedDensityOfStates. The manual said that The block must be a single line with the energies of the range for PDOS projection, (relative to the program's zero, i.e. the same as the eigenvalues printed by the program), t

[SIESTA-L] Fermi energy problem in density of states

Hi,everyone I have read the siesta-2.0.2 manual, and I wonder the ProjectedDensityOfStates. The manual said that The block must be a single line with the energies of the range for PDOS projection, (relative to the program's zero, i.e. the same as the eigenvalues printed by the program), the peak