[Pw_forum] About time dependent
mirnezhad.mm at gmail.com
Sat Apr 30 10:27:36 CEST 2011
Can quantum espresso simulate the time-dependent phenomena? for
example i want to calculate the position of atoms t second after an
external force. It is a non-equilibrium phenomena and the total energy
does not minimum. Is there any way to simulate such phenomena with QE?
I think in principle we could do such a work. If we have the initial
position (wave function) the wave function after t simply could be
written as A0*exp(-ien t), is it correct?
More information about the users