FP LO 
08/14/2017, 09:11:31 
FPLO HomepageThe FPLO^{®} package is a fullpotential localorbital minimumbasis code [1] [2] to solve the KohnSham equations on a regular lattice [6]. The situation of a chemically disordered structure is covered by a CPA solver [3], relativistic effects can be treated in a related 4component code [4], and the LSDA+U formalism is implemented [5]. Much effort has been spent to achieve a level of numerical accuracy which is comparable to advanced fullpotential LAPW implementations, though the basis set is considerably smaller. This makes highly accurate fullpotential calculations for elementary cells of up to 100 atoms feasible on singleCPU machines and is a good starting point for approaches beyond standard DFT. For more informations you may download the highlight of psik  newsletter 05/02. New: Workshop and FPLO Tutorial November 1317, 2017
