.gnu file gives energies in ryd. so you have to convert that into eV. I am not sure about calculating band structure using mesh, I always use high symmetric specific k-points. experts can give some feedback.
HTH Manu (University of Waterloo) On Mon, Oct 9, 2017 at 12:42 PM, Gautam Gaddemane <[email protected]> wrote: > Hello All, > > I am new to QE and I am trying to use bands.x to plot the band structure. > The band energies I obtain look right in the output file but the .gnu file > has wrong energies. > Could anyone please describe how to use bands.x for me please > > I have another question: I need to calculate the band structure on a mesh > and I need to obtain it in a readable file format. How do I do that ? > > Thank you > Gautam > > GAUTAM GADDEMANE > DEPARTMENT OF MATERIALS SCIENCE AND ENGINEERING > UNIVERSITY OF TEXAS AT DALLAS > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
