Re: [Wannier] Different scale in the wave vector path between pw.x and wannier90

2019-11-04 Thread Soumyadeep
As per my experience Giovanni is absolutely correct. Try to rescale the paths from 0 to 1 by dividing each k-vector by the largest one for DFT as well as Wannnier interpolated bands. Also high symmetry points must be rescaled in same manner. with best regards Soumyadeep

Re: [Wannier] Different scale in the wave vector path between pw.x and wannier90

2019-11-04 Thread Lorenzo Paulatto
I think one is in A^{-1} (Wannier90), the other in units of 2 pi / a. You can just take the largest value on the x-axis and rescale one with respect to the other. I confirm, oddly enough, for Silicon, the ratio is very close to one, which is especially confusing. cheers -- Lorenzo Paulatto -

Re: [Wannier] Different scale in the wave vector path between pw.x and wannier90

2019-11-04 Thread Giovanni Cantele
I think one is in A^{-1} (Wannier90), the other in units of 2 pi / a. You can just take the largest value on the x-axis and rescale one with respect to the other. Giovanni -- Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Fisica Universita' di Napoli "Federico II" Complesso Universitario