Dear PWscf users,
Is there a good way to control ion temperature with vc-relax calculations? I am
getting kinetic energy of ions like this with ion_temperature = 'rescaling'
Ekin = 0.00000000 Ryd T = 0.0 K Etot = -331.97819184
Ekin = 4.25593718 Ryd T = ****** K Etot = -329.46480034
Ekin = 21.06231323 Ryd T = ****** K Etot = -304.20215949
Ekin = 250.44843631 Ryd T = ****** K Etot = -35.00847866
Ekin = ************** Ryd T = ****** K Etot = **************
Obviously the ions get too hot and the cell begins to expand. I very much
appreciate your suggestions.
Lilong
