[Pw_forum] Re: Fwd: BOMD / FPMD / CP (Paolo Giannozzi)

Paolo Umari umari at MIT.EDU
Sat Oct 29 21:54:43 CEST 2005


Dear Paul,

With the new quantum-espresso release, the code cp.x
will be able to perform BO molecular dynamics,
through conjugate gradient optimization of
the electronic states (instead of Verlet).
It works also for metals through ensemble DFT.

Paolo Umari.



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