PARSEC is made available to the community free of charge, under the GNU General Public License. Please be aware that this code comes as is. We make no warranty with respect to any bugs and we cannot respond to help requests. See our user’s guide for help. Legal issues are covered by the General Public License . Use of the L-BFGS package, part of PARSEC, is also subject to conditions of use.
Version of the code (PARSEC 1.4) can be downloaded. A user’s guide is available.
If you publish work using our code, please cite some of the following articles:
J. R. Chelikowsky, N. Troullier, and Y. Saad, Finite-difference pseudo potential method: Electronic structure calculations without a basis, Phys. Rev. Lett. 72, 1240 (1994).
J. R. Chelikowsky, The pseudopotential-density functional method applied to nanostructures, J. of Phys. D 33, R33 (2000).
L. Kronik, A. Makmal, M.L. Tiago, M.M.G. Alemany, M. Jain, X. Huang, Y. Saad, and J.R. Chelikowsky, PARSEC-the pseudopotential algorithm for real-space electronic structure calculations: Recent Advances and novel applications to nano-structures, physica status solidi (b) 243, 1063 (2006).
Y. Saad, J.R. Chelikowsky and S.M. Shontz, Numerical methods for electronic structure calculations of materials, SIAM Rev. 52, 3 (2010).
PARSEC requires pseudopotential input files. We recommend the norm-conserving pseudopotentials designed by Prof. J. L. Martins. Details of his construction method can be found here.
To expedite the use of these pseudopotentials, we have prepared a library of potentials that can be directly input in PARSEC. You can get them by clicking on the element in the following…..