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 cannot get areadable file. Please help me to get H and S matrices from this package.
- [SIESTA-L] hsx file Zahra Talebi
- [SIESTA-L] hsx file Zahra Talebi
