[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
mbanck at debian.org
Sun Jun 12 21:36:17 UTC 2011
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
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