Re: [Wannier] Unit of velocities in geninterp

2020-03-23 Thread Vahid Askarpour
Dear Giovanni, Thank you for this clarification. I was using an earlier version (wannier90-2.0.1) and my geninterp output has the following header: # Kpt_idx K_x (2pi/ang) K_y (2pi/ang) K_z (2pi/ang) Energy (eV) EnergyDer_x EnergyDer_y EnergyDer_z I will switch

Re: [Wannier] Unit of velocities in geninterp

2020-03-23 Thread Giovanni Pizzi
Dear Vahid, Thanks for noting this. Note that the units of k-points in the output are 1/ang and not 2pi/ang. Accordingly, the derivatives are in units of (eV * ang), you can verify checking with finite differences in a point with non-zero derivatives. This will be included in the documentation