[SIESTA-L] projected density of states+fermi level

Hi, I have calculated the projected density of states for different structures and I have tested the .PDOS and .DOS files with different ranges of energies. I have put the energy ranges from 3eV up to 10 eV around the fermi level. The plots I have are different from the published results. Could

Re: [SIESTA-L] projected density of states+fermi level

hi, this could arise from numerous reasons. no two calculations give exactly the same results...they should be similar. ..the various reasons could be Ecut, choice of the wave- function basis, # of k-points in BZ, choice of the xc potential, broadening, whether dos is per spin or

[SIESTA-L] Projected density of states

Hello siesta users, I have a question on Projected density of states plot. I am doing SrRuO3 calculation in perovskite structure. Now I want find the pdos, but the Sr and Ru both have 5s and 4d orbital common... So if i want only 5s state of Sr atoms, then what I have to set in