[SIESTA-L] convergence test in the level broadening and number of grid points to obtain the non-equilibrium part of density matrix

Thu, 02 Jul 2015 20:35:08 -0700 

Dear Transiesta users,

According to DOI: 10.1103/PhysRevB.65.165401, I know that the
non-equilibrium part of density matrix must be evaluated for a finite level
broadening and on a fine grid. I need to do convergence test in the level
broadening and number of grid points. But I don't know how to do the
convergence test?

Any comments and guidance will be appreciated.
Best,

Nadia Salami

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