Jörg-Volker Peetz <[email protected]> writes: > Hi Andreas, > > other candidates in this category are, IMHO, > > | QUANTUMESPRESSO | http://www.quantum-espresso.org/ > PWscf http://www.pwscf.org/ > CP2K http://cp2k.berlios.de/
> Andreas Tille wrote: > > thanks to a hint from Helge Kreutzmann I had a look at ESPResSo++ > > > > http://espresso.scai.fraunhofer.de/ Should I add these to the physics and chemistry task packages? Have you, or anyone else filed RFP bugs for them? There seem to be lots of quantum chemistry/solid state physics programs - many of them free. Wikipedia has a list[1] of the functionality that each provides. Has anyone done a more thorough review of their merits? Chris [1] http://en.wikipedia.org/wiki/List_of_quantum_chemistry_and_solid_state_physics_software -- To UNSUBSCRIBE, email to [email protected] with a subject of "unsubscribe". Trouble? Contact [email protected]
