ABINIT Discussion Forums

Hi.

I see that Lesson 3.5 of the tutorial gives values for variables for the electronic band structure of an insulator.

Is there anything different I have to do for a metal?

Not really, although you may need a very dense k point mesh to compute the Fermi surface accurately, and also you should probably compute the ground state in two steps: 1) self-consistently, using tolvrs 1.0D-18, and then non-self-consistently, with tolwfr 1.0D-20, and THEN do the individual k points (also non self consistently as usual) to map out the band dispersion.