XFPLO
The FPLO® package is a full-potential local-orbital code [1] [2] to solve the Kohn-Sham equations [5] on a regular lattice or with free boundary conditions (finite systems). Relativistic effects are treated either in a scalar-relativistic or a full 4-component formalism [3]. Available functionals are LSDA, GGA (PBE 96) and LSDA/GGA+U. [4]. Orbital polarization correction can be applied.
Sample Deployments
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