[ase-users] Quantum Espresso interfaces

[Noam Bernstein]

Does anyone have any experience or suggestions for ASE interfaces to Quantum Espresso?  I'm interested in trying them out, but want to know if there are any opinions or comments about things like the built-in ASE calculator vs. other options (e.g. https://github.com/lmmentel/ase-espresso/).  I'm particular interested in things like minimizations driven by ASE's optimization algorithms (so from QE's point of view repeated single point evaluations that could efficiently start from the previous evaluation, but still able to control whether or not the previous geometry's wavefunc/density are used, because sometimes I do multiple different configs), and high-throughput like evaluation of 100's of unrelaxed configurations with a minimum of hand-tuning of SCF convergence parameters.

									thanks,
									Noam