Dear Researchers:

I am a new user in QE. I want to calculate the band structure of alpha -
 Manganese. For this after doing the scf and nscf caculation I believe I
have to do calculation = 'bands'. But as the input description said,
K_points should be crystal_b for band-structure plots. In that case how can
I select the special k points coordinates and weights? .

Thanks,

Mash
_______________________________________________
users mailing list
users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users

Reply via email to