ESlab software
QBox
Qbox is a C++/MPI First-Principles Molecular Dynamics code. For further details, see the Qbox home page.XML Schemas
XML Schemas for first-principles simulation are developed to facilitate data sharing and code interoperability. Examples of schemas are available at http://www.quantum-simulation.org
ESTEST
ESTEST is a framework developed to facilitate verification and validation of electronic structure programs.upf2qso: Pseudopotential conversion program
upf2qso is a conversion program that translates norm-conserving pseudopotentials written in the UPF format (defined at http://www.quantum-espresso.org) into the http://www.quantum-simulation.org (QSO) format.Download upf2qso.tgz (v1.3, updated 2011-08-03).
qso2upf: Pseudopotential conversion program
qso2upf is a conversion program that translates norm-conserving pseudopotentials written in the http://www.quantum-simulation.org (QSO) format into the UPF format (defined at http://www.quantum-espresso.org)Download qso2upf.tgz (v1.2, updated 2009-09-02).