Object-oriented construction of a multigrid electronic-structure code with Fortran 90
classification
⚛️ physics.comp-ph
cond-mat.mtrl-sci
keywords
multigridobject-orientedcodedensity-functionalelectronic-structurefortranimplementationone-way
read the original abstract
We describe the object-oriented implementation of a higher-order finite-difference density-functional code in Fortran 90. Object-oriented models of grid and related objects are constructed and employed for the implementation of an efficient one-way multigrid method we have recently proposed for the density-functional electronic-structure calculations. Detailed analysis of performance and strategy of the one-way multigrid scheme will be presented.
This paper has not been read by Pith yet.
discussion (0)
Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.