What is "dacapo"

Dacapo \Da`ca"po\ [It., from [the] head or beginning.] (Mus.) From the beginning; a direction to return to, and end with, the first strain; -- indicated by the letters D. C. Also, the strain so repeated.

DACAPO is an ab-initio quantum mechanical molecular dynamics (MD) code using pseudopotentials and a plane wave basis set. It has been developed at the institute of physics at the Technical University of Denmark. It is part of The CAMP Open Software project (CAMPOS).

Currently the Dacapo software must be used from the Atomic Simulation Environment of CAMd via the Jacapo interface.