lorenzo-villa-hub / scripts Public

Collection of useful scripts, mostly python

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Name		Name	Last commit message	Last commit date
Latest commit History 46 Commits
database		database
defects		defects
phase-diagram		phase-diagram
scripts_lichtenberg		scripts_lichtenberg
NEB_info.py		NEB_info.py
README.md		README.md
automation_vasp.py		automation_vasp.py
automation_vasp_NEB.py		automation_vasp_NEB.py
clean-all-out.sh		clean-all-out.sh
compress_cbz.py		compress_cbz.py
convergence.py		convergence.py
convert_cif_to_poscar.py		convert_cif_to_poscar.py
copy_inputs_vasp.sh		copy_inputs_vasp.sh
dielectric_properties.py		dielectric_properties.py
get_bandgap.py		get_bandgap.py
get_bs.py		get_bs.py
get_complete_dos.py		get_complete_dos.py
get_dos.py		get_dos.py
get_partial_chgcar.py		get_partial_chgcar.py
get_phase_diagram_from_MP.py		get_phase_diagram_from_MP.py
grep_forces.py		grep_forces.py
job_queue_status.py		job_queue_status.py
modify_files.py		modify_files.py
modify_input.py		modify_input.py
plot_dielectric_function.py		plot_dielectric_function.py
plotter_bs.py		plotter_bs.py
plotter_dos.py		plotter_dos.py
plotter_dos_bs.py		plotter_dos_bs.py
plotter_dos_bs_custom.py		plotter_dos_bs_custom.py
run_job.py		run_job.py
vasp_chkstatus.sh		vasp_chkstatus.sh
visualize_NEB_ase.py		visualize_NEB_ase.py
visualize_NEB_ovito.py		visualize_NEB_ovito.py