enabled writing HSX with two different H
enabled writing HSX with two different H
This can be necessary for more exoteric Hamiltonian objects where it still makes sense to retain the information in a single file. Remark that the sparsity patterns of the two objects needs to be the same, there is no check for this.
Signed-off-by: Nick Papior nickpapior@gmail.com
Why is it needed
This is mainly intended for usage in the BdG code as will be requested to be merged into Siesta at a later stage.
There it would make sense to retain the full H + delta matrices in a single file (for completeness sake).
@nils.wittemeier please see here