• MIKA

  • Referenced in 6 articles [sw08891]
  • electronic structure calculations. A general real-space multigrid-based program package MIKA (Multigrid Instead...
  • SPARC

  • Referenced in 6 articles [sw22290]
  • SPARC (Simulation Package for Ab-initio Real-space Calculations), we present an accurate and efficient...
  • ShengBTE

  • Referenced in 3 articles [sw17641]
  • initio calculations, using a real-space finite-difference approach, is also publicly available for download...
  • ATLAS

  • Referenced in 1 article [sw18242]
  • ATLAS: a real-space finite-difference implementation of orbital-free density functional theory. Orbital-free ... implemented software. Here we develop a real-space finite-difference (FD) method for the numerical ... equation. Our approach engages both the real-space finite-difference method and a direct energy...
  • DFT-FE

  • Referenced in 2 articles [sw33910]
  • based on a local real-space variational formulation of the Kohn–Sham DFT energy functional...
  • TRANSEC

  • Referenced in 1 article [sw23571]
  • improve parallel eigensolution efficiency in real-space electronic transport. We present an eigenspectrum partitioning scheme ... without inversion for the recently described real-space electronic transport code, TRANSEC. The primary advantage...
  • PyQMC

  • Referenced in 1 article [sw33437]
  • PyQMC: A python module that implements real-space quantum Monte Carlo techniques. It is primarily...
  • GPAW

  • Referenced in 1 article [sw06805]
  • atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods or atom...
  • EPW

  • Referenced in 1 article [sw06043]
  • functions EPW makes use of a real-space formulation and combines the Kohn-Sham electronic...
  • EDMA

  • Referenced in 0 articles [sw20033]
  • arbitrary dimensions. EDMA first generates real-space sections at a selected set of phases...
  • Critic2

  • Referenced in 0 articles [sw20028]
  • Critic2: A program for real-space analysis of quantum chemical interactions in solids. We present...
  • NCIPLOT

  • Referenced in 0 articles [sw20029]
  • densities. These regions are mapped in real-space by plotting an isosurface...
  • ATLAS

  • Referenced in 199 articles [sw00056]
  • This paper describes the Automatically Tuned Linear Algebra...
  • LAPACK

  • Referenced in 1713 articles [sw00503]
  • LAPACK is written in Fortran 90 and provides...
  • Matlab

  • Referenced in 13702 articles [sw00558]
  • MATLAB® is a high-level language and interactive...
  • BLAS

  • Referenced in 501 articles [sw03216]
  • Low-level utilities common to many mathematical software...
  • eigs

  • Referenced in 325 articles [sw03702]
  • eigs: Largest eigenvalues and eigenvectors of matrix The...
  • PETSc

  • Referenced in 1594 articles [sw04012]
  • The Portable, Extensible Toolkit for Scientific Computation (PETSc...
  • CUBIT

  • Referenced in 80 articles [sw04109]
  • The CUBIT Geometry and Mesh Generation Toolkit: For...
  • ARPACK

  • Referenced in 848 articles [sw04218]
  • ARPACK is a collection of Fortran77 subroutines designed...