Dear Mads, Thanks for your comment and guidance. I will try to explore its reason. Kind regards, Nadia Salami
On Tue, Sep 15, 2015 at 8:38 PM, Mads Engelund <[email protected]> wrote: > Dear Nadia, > I encountered something similar. Be aware that it might not be an error > but could actually reflect the physics of your system. If you are > describing an essentially 1D structure, accurate k-sampling is important to > reveal the spin-structure. > Don't dismiss your result as wrong, it could be something interesting:) > Try plotting the spin-resolved bandstructure. > > Best regards, > Mads Engelund > > > On 12/09/15 07:51, Nadia Salami wrote: > >> I must to add that when I do electrode calculation for same system by >> setting the following values, >> %block kgrid_Monkhorst_Pack >> 1 0 0 0.0 >> 0 3 0 0.0 >> 0 0 50 0.0 >> %endblock kgrid_Monkhorst_Pack >> SpinPolarized false >> >> >> I have obtained the correct Fermi energy. >> Thanks in advance. >> > >
