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Paulo V C Medeiros
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Mar 18, 2015
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<!-- ============================================================================= --> | ||
BandUP: Band Unfolding code for Plane-wave based calculations | ||
====================================================================================== | ||
### Please visit http://www.ifm.liu.se/theomod/compphys/band-unfolding | ||
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#### Copyright (C) 2013-2015 Paulo V. C. Medeiros - [email protected] | ||
############################################################################ | ||
### BandUP: Band Unfolding code for Plane-wave based calculations | ||
############################################################################ | ||
###### Copyright (C) 2013-2015 Paulo V. C. Medeiros - [email protected] | ||
##### Please visit http://www.ifm.liu.se/theomod/compphys/band-unfolding | ||
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BandUP is free software: you can redistribute it and/or modify | ||
it under the terms of the GNU General Public License as published by | ||
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along with BandUP. If not, see <http://www.gnu.org/licenses/>. | ||
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<!-- ============================================================================= --> | ||
Plane-wave codes currently supported by BandUP | ||
#### Plane-wave codes currently supported by BandUP | ||
-------------------------------------------------------------------------------------- | ||
* At the moment, BandUP can parse wavefunctions generated by: | ||
* VASP | ||
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we'd only need to write an interface to it :) | ||
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<!-- ============================================================================= --> | ||
How to compile BandUP | ||
#### How to compile BandUP | ||
-------------------------------------------------------------------------------------- | ||
* Run the "build.sh" script: ./build.sh | ||
* A folder named "BandUP_bin" will be created. | ||
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* Do check, however, the system requirements below if you have any problem. | ||
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<!-- ============================================================================= --> | ||
System requirements: | ||
#### System requirements: | ||
-------------------------------------------------------------------------------------- | ||
* Preferably Linux | ||
* Might work in other environments based on Unix | ||
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in the command line, just as usual. | ||
<!-- ============================================================================= --> | ||
Publications: | ||
#### Publications: | ||
-------------------------------------------------------------------------------------- | ||
* If you use BandUP (or any part or modified version of it) in your work, please: | ||
* State that you've used the BandUP code (or a modified version fo it). | ||
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<!-- ============================================================================= --> | ||
Tips: | ||
#### Tips: | ||
-------------------------------------------------------------------------------------- | ||
* BandUP accepts some optional command line arguments and flags. To know them, | ||
run the code with the flag '-help'. | ||
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<!-- ============================================================================= --> | ||
Please mind that: | ||
#### Please mind that: | ||
-------------------------------------------------------------------------------------- | ||
* Although I've tried to make the compilation as simple as possible - and it has | ||
indeed worked fine so far with many combinations of compilers, computers, and | ||
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