Contributors

This is a short list of people who have contributed to PARSEC (if you feel someone is missing, please accept our apologies and send us an e-mail):

  • A. Stathopoulos : mathematical subroutines;
  • H. Kim : core correction, multipole expansion;
  • I. Vasiliev : Polarizability, asymptotically-corrected functionals;
  • M. Jain and L. Kronik : GGA, generalized Broyden mixer, "cleaning" of the source code, efficiency improvements, and added functions;
  • K. Wu : improvements in iterative diagonalizer and Hartree solver;
  • R. Burdick : major rewrite and improvement of multipole expansion;
  • M. Alemany and M. Jain : periodic boundary conditions, parallel implementation;
  • M. Alemany and E. Lorin : ARPACK solver;
  • A. Makmal: dynamical memory allocation;
  • M. Tiago : symmetry operations, user's guide.
  • Other contributors are:

  • C. Pickard: ESDF package;
  • J. Nocedal: L-BFGS package;
  • J. L. Martins: periodic-system subroutines;
  • K. Burke: EASYPBE, exchange-correlation package;
  • Much of the seminal work has been done at the University of Minnesota, with subsequent collaboration from the Weizmann Institute and University of Texas.

    This project is supported by:


    DOE_OS                  ICES



    NSF

            
    MSI, U of MN

    .