[Debichem-devel] RFP: quantum-espresso -- Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving and ultrasoft).

[Michael Banck]

owner 589942 debichem-devel at lists.alioth.debian.org
retitel 589942 "ITP: quantum-espresso -- suite for solid-state electronic structure calculations"
thanks

This can be integrated with xtalopt (http://xtalopt.openmolecules.net)
into Avogadro and looks like a nice addition.


Michael