Hi Hadi, That certainly is possible. Check out this example for using MUMPS with sparse diagonalization: https://gitlab.kwant-project.org/qt/cookbook/blob/master/mumps_sparse_diag.py
It should hopefully get you going, but is something is unclear—let me know. Also on a related topic Joe Weston and another Kwant developer Kelvin Loh were recently working on a standalone MUMPS Python wrapper (not yet packaged though): https://gitlab.kwant-project.org/kwant/mumpy Best, Anton On Sat, Jan 26, 2019 at 9:26 AM [email protected] <[email protected]> wrote: > Dear Kwant developers, > > I created a general lattice with 10 million orbitals in Kwant and I > obtained the Hamiltonian(H). > At some point, I need to solve the inhomogeneous matrix equation H u = v, > where u is the vector of unknowns and v is a constant vector. > My life will be easier if I could use MUMPS solver provided by Kwant to > obtain u. > Is there any chance? > > Best regards, > Hadi > >
