Large-scale linear system solver using secondary storage: Self-energy in hybrid nanostructures

Published: 1 February 2011| Version 1 | DOI: 10.17632/5vp62mzkpk.1
J.M. Badia, J.L. Movilla, J.I. Climente, M. Castillo, M. Marqués, R. Mayo, E.S. Quintana-Ortí, J. Planelles


Abstract We present a Fortran library which can be used to solve large-scale dense linear systems, A x = 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 sem... Title of program: HDSS - (Huge Dense System Solver) Catalogue Id: AEHU_v1_0 Nature of problem Huge scale dense systems of linear equations, Ax = B, beyond standard LAPACK capabilities. Application to calculations of self-energy potential in dielectrically mismatched semiconductor quantum dots. Versions of this program held in the CPC repository in Mendeley Data AEHU_v1_0; HDSS - (Huge Dense System Solver); 10.1016/j.cpc.2010.10.021 AEHU_v1_1; Huge Dense System Solver (HDSS); 10.1016/j.cpc.2011.06.010 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)



Surface Science, Condensed Matter Physics, Computational Physics