Acknowledgements

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 (Weizmann Institute): dynamical memory allocation;
M. Tiago : symmetry operations, user’s guide.
D. Naveh (Weizmann Institute): Spin-orbit coupling, non-collinear magnetism
A. Natan (Weizmann Institute): general 3d and 2d periodic boundary conditions
S. Kummel (Bayreuth University): Exact exchange, optimized effective potential

Other contributors are:
C. Pickard: ESDF package;
J. Nocedal: L-BFGS package;
J. L. Martins: periodic-system subroutines;
K. Burke: EASYPBE, exchange-correlation package;

Early work on this project was initiated at the University of Minnesota by Yousef Saad and Jim Chelikowsky. Subsequent work was done by many people!

RESEARCH SUPPORTED BY

Institute for Computational Engineering and Sciences
National Science Foundation
US Department of Energy
Welch Foundation