Dear QE user,
I just completed the DOS and Bands calculations for the (100) surface of a half
metallic material.The unrelaxed DOS shows the surface is half metallic while
the unrelaxed band structure shows that it is a metal.
However, the relaxed DOS and band structure of this surface reflects metallic
property.
I really do not understand why the unrelaxed DOS reflects half metallic and the
bands structure does not complement the DOS.
I will sincerely appreciate any comment to help my understanding.
Thank you.
Jolayemi Omamuyovwi RitaResearch StudentUniversity of BeninNigeria
Sent from Yahoo Mail on Android
_______________________________________________
Pw_forum mailing list
Pw_forum@pwscf.org
http://pwscf.org/mailman/listinfo/pw_forum
