Re: [Wien] Photon energy range in epsilon function

Dear Francis Yan, You have to specify: - a higher Emax value in case.in1 file and then in case.inop (in Ry) - define the energy range in case.injoint (in eV) Cheers Xavier Le 3/3/2014 3:32 AM, eagle ying a écrit : Dear users: When i try to plot the epsilon functions, the range of

Re: [Wien] Photon energy range in epsilon function

Thanks, Xavier. I have specify a higher Emax value in case.in1(from 2.5 to 5.5) as well as in case.inop(from 2.0 to 5.0) as directed. The epsilon plot is different from the default situation. There appears to be a lot more very narrow peaks(maybe include some large matrix elements cut off

Re: [Wien] Error in fermi energy of graphene

Approximately, the Fermi energy must be about -0.056 Ry in correct conditions, but I obtain -0.088 Ry. The arbitrariness of Ef is dicussed in FAQ: http://www.wien2k.at/reg_user/faq/neg_fermi_energy.html I would suggest not to be concerned about the value of Ef at all, as long as the band