# BandUP: Band Unfolding code for Plane-wave based calculations
This is a python interface to the bandUP code. It is under development,
but you may use it on your own risk.
### please refer to
##### <http://www.ifm.liu.se/theomod/compphys/band-unfolding>
##### <https://github.com/band-unfolding/bandup>
BandUP 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.
BandUP 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 BandUP. If not, see <http://www.gnu.org/licenses/>.
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## Currently supported plane-wave codes
At the moment, BandUP can parse wavefunctions generated by:
* [VASP](http://www.vasp.at)
* [Quantum ESPRESSO](http://www.quantum-espresso.org)
* [ABINIT](http://www.abinit.org)
* any code that has interface to [Wannier90](http://wannier.org)
* [CASTEP](http://www.castep.org) (use the main code of BandUP, not the bandupy)
(tested with the academic version; currently only
available on request)
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## Publications:
If you use BandUP (or any part or modified version of it) in
your work, you should:
* **State EXPLICITLY that you've used the BandUP code**
(or a modified version of it, if this is the case).
* **Read and cite the following papers** (and the appropriate
references therein):
>> Paulo V. C. Medeiros, Sven Stafström, and Jonas Björk,
[Phys. Rev. B **89**, 041407(R) (2014)](
http://dx.doi.org/10.1103/PhysRevB.89.041407)
>> Paulo V. C. Medeiros, Stepan S. Tsirkin, Sven Stafström, and Jonas Björk,
[Phys. Rev. B **91**, 041116(R) (2015)](
http://dx.doi.org/10.1103/PhysRevB.91.041116)
if you use bandupy, that uses functionality implemented
in the [irrep](https://github.com/stepan-tsirkin/irrep) code, please also cite
>> Mikel Iraola, Juan L. Mañes, Barry Bradlyn, Titus Neupert, Maia G. Vergniory, Stepan S. Tsirkin
"IrRep: symmetry eigenvalues and irreducible representations of ab initio band structures", [arXiv:2009.01764](https://arxiv.org/abs/2009.01764)
An appropriate way of acknowledging the use of BandUP in your
publications would be, for instance, adding a sentence like:
"The unfolding has been performed using the BandUP code"
followed by the citation to our papers.
A constantly growing list of **publications using BandUP**
is available at
<http://www.ifm.liu.se/theomod/compphys/band-unfolding/publications>
