Dear Riya,the DOS / PDOS come out in the "native" energy scale of the code(in which Fermi energy - listed in the last column of electronic iteration printout, under siesta: iscf Eharris(eV) E_KS(eV) FreeEng(eV) dDmax Ef(eV)- is typically several eV in the negative).In order to plot, you shift it "by hand" within your favourite plotting program.Thank you for your attention to Javier Junquera's tutorial; there is no special "Andrei Postnikov method" to plot the density of states... Best regardsAndrei Postnikov ----- Riya Rogers <rogers.riy...@gmail.com> a écrit : >Dear All, I am calculating DOS of my system using the Andrei Postnikov method (given in tutorial below) : http://personales.unican.es/junqueraj/JavierJunquera_files/Metodos/Structuralproperties/PDOS-SrTiO3/Exercise-PDOS-SrTiO3.pdf
I have a doubt that whether this method gives the DOS with fermi automatically shifted to zero? or Do we have to manually shift fermi to zero? Please tell me how to get DOS with fermi shifted to zero, I will be highly obliged. Thanking you RegardsRiya
