Contributors to the critic2 code:

* Jose Luis Casals Sainz at the University of Oviedo

<joseluiscasalssainz@gmail.com>:

Merge-sort routine in tools.f90

* Enrico Benassi at the Scuola Normale Superiore di Pisa, Italy

<ebenassi3@gmail.com>:

The STM module is based on one of Enrico's program, who also

provided guidance and encouragement.

Critic2 contains code from the following sources. The complete

copyright notice is included in the corresponding files.

* ciftbx: fortran routines for CIF data, by Sydney R. Hall and Herbert

J. Bernstein.

http://www.bernstein-plus-sons.com/software/ciftbx/

The ciftbx package is included in critic2. It is invoked when the

crystal structure is given as a cif file. ciftbx is distributed

under the GNU/GPL v2.

* abinit: electronic structure of periodic solids under the

pseudopotentials/plane-waves approximation. The lead developers are

X. Gonze and D. C. Allan, with contributions from many people (see

doc/developers/contributors.txt) in the abinit distribution.

Modified versions of some of the routines for reading DEN files are

used in abinit_private. The grid interpolation routine (trispline)

also comes from abinit, and was written by A. Lherbier. abinit is

distributed under the GNU/GPL v3.

* wien2k: a FP-LAPW program for calculations in periodic solids, by

P. Blaha, K. Schwarz and others (http://www.wien2k.at/). The

routines for reading struct files and calculate the electron density

were adapted (with permission) from the WIEN2k code.

* elk: a FP-LAPW program for calculations in periodic solids, by

J. K. Dewhurst, S. Sharma, C. Ambrosch-Draxl, and others.

Modified versions of the routines dealing with the elk file formats

and densities are in elk_private.f90. Also, the cfftnd.f90 file is

an almost exact copy of the equivalent file in elk, which in turn is

part of the fftpack5 library by P. Swarztrauber and Richard Valent.

elk is distributed under the GNU/GPL v3.

* cubpack: a package for the automatic integration of n-dimensional

integration regions by numerical cubature. The authors are Alan Genz

and Ronald Cools. Adapted by J. Burkardt.

* The routines for Lebedev integration on the sphere were developed

and coded by V. I. Lebedev and D. N. Laikov. See the header of

integration.f90 for details.

* The keast library (keast.f90) does numerical integration on

tetrahedra. They were developed by A. Nijenhuis and Herbert

Wilf. Converted to fortran90 by J. Burkardt. The library is

distributed under the GNU/LGPL license.

* The routines dealing with aiPI ion files (pi_private.f90) were

adapted from the PI code, by V. Luaña, E. Francisco,

A. Martín-Pendás, M. Flórez, M. Bermejo, and M. Álvarez Blanco.

* Part of the LAPACK (and BLAS) library are included in the oldlibs/

directory, by J. Dongarra and others. LAPACK is under the BSD-new

license.

* A modified version of the quadpack library is used (quadpack.f90)

for vectorial 1D integration. Quadpack was written by R. Piessens,

E. de Doncker, C. Ueberhuber, and D. Kahaner. See

www.netlib.org/quadpack. The version included in critic2 was taken

from John Burkardt's page

(http://orion.math.iastate.edu/burkardt/f_src/f_src.html).

* Part of the bader program sources. Bader is a program for the

integration of scalar fields on a grid developed by Graeme Henkelman

and collaborators at the University of Texas at Austin. The 'bader'

program was written by Wenjie Tang, Andri Arnaldsson, Samuel T.

Chill, and Graeme Henkelman, and distributed under a free license

(GNU/GPL). See the copyright notice in src/bader.f90 for more

details.

* The qhull library is used to calculate the vertices and faces of the

Wigner-Seitz cell, which is an essential component in several parts

of critic2. The author of the library is C. B. Barber and the

Geometry Center at the University of Minnesota. Qhull is free

software and a copy of the library is distributed with critic2. The

exact licensing conditions can be read in src/qhull/COPYING.txt.

Qhull may be obtained via http from www.qhull.org.

* The Gaussian wfn/wfx code has been adapted from postg, by Alberto

Otero de la Roza, Felix Kannemann, Erin R. Johnson, Ross M. Dickson,

Hartmut Schmider, and Axel D. Becke. Postg calculates the dispersion

energy and related quantities in the exchange-hole dipole moment. It

is distributed under GPL.

* The SPGR symmetry library has been adapted by A. Martin Pendas from

earlier work by Allen C. Larson at the National Research Council of

Canada.

* The tricubic interpolation routine is based on code by David Kirkby

at the University of California, Irvine

(https://github.com/deepzot/likely).