Dear QE Developers and users!
I have encountered not so clear to me place while reading seminal paper
of Sugino and Car on melting of silicon (10.1103/PhysRevLett.74.1823).
To compute the free energy of liquid silicon they in one place used the
classical system with known free energy as reference and adiabatically
switches interatomic potential from the one described by Car-Parinello
dynamics to the classical one described by selected interatomic
potential (Stillinger-Weber in the paper). I wonder how this can be
implemented in practice. Is there corresponding switches in cp.x input
file? Or does the mixing of the classical and quantum systems require
use of other tools?
Sincerely yours,
M. V. Kondrin
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