rescupybs 0.1.1.4

Band structure plot and wavefunction export from rescuplus *.json and *.h5 file.

rescupybs

The rescupybs is used for band structure plotting or isosurface file exporting from rescuplus calculation result *.json and *.h5 files. The code will provide two scripts, rescubs for band structure plotting using rescuplus *.json or *.dat files, and rescuiso for isosurface file exporting in VESTA format from *.json and *.h5 files.

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rescubs

• To execute rescubs -h for the parameters to use.
• Example:

rescubs -h
rescubs -i nano_bs_out_bs.dat -o band.png -l g m k g
rescubs -b -l g m k g -y -1.2 1.2

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rescuiso

• To execute rescuiso -h for the parameters to use.
• Example:

rescuiso -h
rescuiso -i nano_wvf_out.json -k 1 4 -b 0 3