hi every body
I need to obtain H (Hamiltonian) and S (overlap) matrices for my project. I
added the following lines to the fdf file for this purpose:
COOP.Write T SaveHS T and I got Symbolname.fullzBZ.WFSX symbolname.HSX
The manual says, Ishould use hasx2hs but by using this converter I can
hi every body,
To get hamiltonian matrix and over lap matrix, I just add a line to me fdf and
rung siesta, and I got HSX file. now I don`y know how to get Hamiltonian matrix
and over lap matrix from this file. I used hsx2hs and get the HS file but I
cannot use it either.
