Thank you Manu. GAUTAM GADDEMANE DEPARTMENT OF MATERIALS SCIENCE AND ENGINEERING UNIVERSITY OF TEXAS AT DALLAS
On Mon, Oct 9, 2017 at 12:17 PM, Manu Hegde <[email protected]> wrote: > .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 >
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
