PAOFLOW.gen.qe_input.cli#

Command-line interface for the multi-database QE-input generator.

Generates a Quantum ESPRESSO scf input from a database entry. The database is selected with --source (default auto detects it from the identifier):

  • AFLOW – AFLOWDATA URL, material page ?id=aflow:<auid>, or aflow:<auid>

  • C2DB – material UID (e.g. 2C-1), material-page URL, or c2db:<uid>

Functions#

main([argv])

Module Contents#

PAOFLOW.gen.qe_input.cli.main(argv=None)[source]#