Xiaopeng,
I don't think so. Do you know the unit of the energy(eV) and time (ps). I
only add and subtract 1*1*dt eV to the system (0.001 eV) every dt time
step. How did you calculate such a large value?
Ali
Hi, Ali
I suggest that you examine the units of the variables. In the "fix heat"
command, you may give a very >large heat flux but with small time
interval. I took a rough calculation, the heat flux you give is