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|
+------------------------------+
| The Elk FP-LAPW Code |
+------------------------------+
This code is distributed under the terms of the GNU General Public License.
See the file COPYING for license details.
Elk is free software: you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
Elk is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY
or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public
License for more details.
You should have received a copy of the GNU General Public License
along with Elk. If not, see http://www.gnu.org/licenses/.
Elk can be compiled by first editing the file 'make.inc' in this directory to
suit your compiler and available libraries, followed by running 'make all'.
This will compile the main code as well as several auxiliary programs.
A test suite is available: entering 'make test' will check the output of your
executable against a standard set. This may take some time to complete. If Elk
was compiled with MPI then use 'make test-mpi' instead. The Libxc package can
also be tested using 'make test-libxc' (or 'make test-libxc-mpi' with MPI).
Auxiliary programs include 'spacegroup' for producing crystal geometries from
spacegroup data, and 'eos' for fitting equations of state to energy-volume data.
Elk is updated regularly with new features and bug fixes. Features not listed as
'experimental' may be used for production but, as with any code, please check
the consistency of your results carefully.
--------------------------------------------------------------------------------
J. K. Dewhurst, S. Sharma
L. Nordstrom, F. Cricchio, O. Granas
E. K. U. Gross
|
