S. Sanchez wrote: > What I do not understand is the fact that the label "efiled" in the > INPUT_PW.html webpage reports the following information: > Amplitude of the finite electric field (in Ry a.u.; 1 a.u. = > 36.3609*10^10 V/m) > > If I follow the above expression, i.e., (51.4221*10^10 > V/m)/SQRT(2)=36.3609*10^10 V/m, the units of the "finite electric field" > should be Hartrees and not in Rydbergs, right?
"eamp" is in "Hartree" atomic units, i.e. 51.4221*10^10 V/m "efield" is in "Rydberg" atomic units, i.e. 36.3609*10^10 V/m, i.e. 51.4221*10^10 V/m/sqrt(2) (where sqrt(2)=e, in Ry a.u.) > Also, in the INPUT_CP.html webpage, the same label "efield" reports the > following: > Amplitude of the finite electric field (in a.u.; 1 a.u. = 36.3609*10^10 V/m) this is actually incorrect (I think): in CP the electric field is in "Hartree" atomic units = 51.4221*10^10 V/m P. -- Paolo Giannozzi, Democritos and University of Udine, Italy
