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Manuscript Title: Critic: a new program for the topological analysis of solid-state electron densities
Authors: A. Otero-de-la-Roza, M. A. Blanco, A. Martín Pendás, Víctor Luaña
Program title: CRITIC
Catalogue identifier: AECB_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 180(2009)157
Programming language: FORTRAN 77 and 90.
Computer: Any computer capable of compiling Fortran.
Operating system: Unix, GNU/Linux.
Keywords: Quantum Theory of Atoms in Molecules (QTAIM), topological analysis, electron density, WIEN2K, aiPI.
PACS: 31.15.ae.
Classification: 7.3.

Nature of problem:
Topological analysis of the electron density in periodic solids.

Solution method:
The automatic localization of the electron density critical points is based on a recursive partitioning of the Wigner-Seitz cell into tetrahedra followed by a Newton search from significant points on each tetrahedra. Plotting of and integration on the atomic basins is currently based on a new implementation of Keith's promega algorithm.

Running time:
Variable, depending on the task. From seconds to a few minutes for the localization of critical points. Hours to days for the determination of the atomic basins shape and properties. Times correspond to a typical 2007 PC.