A modified version of the Exciting Plus FP-LAPW electronic structure and linear response code.
This is the version of Exciting Plus (https://github.com/toxa81/exciting-plus), a code derived from the Elk FP-LAPW code (http://elk.sourceforge.net/)
Below I will quote the Elk README:
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| The Elk FP-LAPW Code |
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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 running "./setup" in this directory followed by "make all". This will compile the main code as well as several auxiliary programs. For optimal performance we strongly recommend that you tune the Fortran compiler options in the file "make.inc" and use machine-optimised BLAS/LAPACK libraries. Setting the OpenMP options of your compiler will enable Elk to run in parallel mode on multiprocessor systems.
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.
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, F. Bultmark E. K. U. Gross