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emanuelm33 committed Aug 25, 2022
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![Logo](https://user-images.githubusercontent.com/94184924/156950182-06b978a4-9302-460f-bb24-5f78c3ecafc8.png)
## BinPo: A CODE FOR ELECTRONIC PROPERTIES OF 2D ELECTRON SYSTEMS
## BINPO: A CODE FOR ELECTRONIC PROPERTIES OF 2D ELECTRON SYSTEMS

### Version 1.1.0

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_~/HrSTO111_ after a succesful pre-processing.

**NOTE1:** It should be noticed that you need to execute this step just once for each W90 file/material/direction combination.

**NOTE2:** For hexagonal systems rotations are not allowed, so that the (001) is the confinement direction.


### STEP 2: SC-potential calculation:
Run _BP-scp.py_ component with a defined job identifier (_id_) as:
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### STEP 3: post-processing step:

NOTE: Each of the post-processing components needs a previous SC-potential calculation whose solution will be accessed by the specific
**NOTE:** Each of the post-processing components needs a previous SC-potential calculation whose solution will be accessed by the specific
identifier.

Recall the SC solutions and their features from any of the post-processing components (_BP-bands.py_,
_BP-energy_slices.py_, etc.). Check the parameters needed in each particular case. All new runs will be automatically logged in the
file ~/identifier/identifier.log. For example, to compute the bandstructure along KGK path (ph), run the line below. In this case,
file _~/identifier/identifier.log_. For example, to compute the bandstructure along KGK path (_ph_), run the line below. In this case,
the ommited parameters will be taken from _~/conf_files/bands.yaml_ file.

$ python BP-bands.py -id identifier -ph KGK
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