4 projects
vasprocar
VASProcar is an open-source package written in the Python 3 programming language, which aims to provide an intuitive tool for the post-processing of the output files produced by the DFT VASP/QE codes, through an interactive user interface.
SAMBA-ilum-mag
The SAMBA code is an open-source, high-throughput Python workflow for generating, simulating, and analyzing twisted bilayers. It features modules for: (i) creating thousands of quasi-commensurate structures via the coincidence lattice method; (ii) assist in the running DFT calculations using VASP; and (iii) extracting and organizing structural, electronic, and energetic properties into a robust dataset.
vasprocar2
VASProcar is an open-source package written in the Python 3 programming language, which aims to provide an intuitive tool for the post-processing of the output files produced by the DFT VASP/QE codes, through an interactive user interface.
SAMBA-ilum
The SAMBA code is an open-source, high-throughput Python workflow for generating, simulating, and analyzing twisted bilayers. It features modules for: (i) creating thousands of quasi-commensurate structures via the coincidence lattice method; (ii) assist in the running DFT calculations using VASP; and (iii) extracting and organizing structural, electronic, and energetic properties into a robust dataset.
