Badia, J. M.; Movilla, J. L.; Climente, J. I.; Castillo, M.; Marqués, M.; Mayo, R.; Quintana-Ortí, E. S.; Planelles, J. Large-scale linear system solver using secondary storage: self-energy in hybrid nanostructures. (English) Zbl 1217.65057 Comput. Phys. Commun. 182, No. 2, 533-539 (2011). Summary: We present a Fortran library which can be used to solve large-scale dense linear systems, \(Ax=b\). The library is based on the LU decomposition included in the parallel linear algebra library PLAPACK and on its out-of-core extension POOCLAPACK. The library is complemented with a code which calculates the self-polarization charges and self-energy potential of axially symmetric nanostructures, following an induced charge computation method. Illustrative calculations are provided for hybrid semiconductor-quasi-metal zero-dimensional nanostructures. In these systems, the numerical integration of the self-polarization equations requires using a very fine mesh. This translates into very large and dense linear systems, which we solve for ranks up to \(3\times 10^5\). It is shown that the self-energy potential on the semiconductor-metal interface has important effects on the electronic wavefunction. Cited in 1 Document MSC: 65F05 Direct numerical methods for linear systems and matrix inversion Keywords:LU decomposition; out-of-core; dielectric confinement; self-energy; parallel computation; numerical examples; Fortran library; large-scale dense linear systems Software:POOCLAPACK; PARDISO; PLAPACK; SOLAR PDFBibTeX XMLCite \textit{J. M. Badia} et al., Comput. Phys. Commun. 182, No. 2, 533--539 (2011; Zbl 1217.65057) Full Text: DOI References: [1] Movilla, J. L.; Climente, J. I.; Planelles, J., Comput. Phys. Comm., 181, 92 (2010) [2] Xue, C.; Deng, S., Commun. Comput. 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