[lammps-users] thermostating oscillating electric field

Dear all,

Could anyone give me some indication about how to thermostat an easy system (box of water) with an oscillating electric field (fix efield)?

Many thanks,
Alejandro

You could thermostat in the directions orthogonal to the field. That seems the least disruptive. I'm not sure if this would change the response to the field. You could try several relaxation rates and compare.
Matt

Quoting Alejandro Fernandez-Martinez <[email protected]>:

Dear all,

dear alejandro,

Could anyone give me some indication about how to thermostat an easy
system (box of water) with an oscillating electric field (fix efield)?

i don't think this is _that_ easy. if you apply an external field you
are doing a non-equilibrium calculation, i.e. transferring energy
from into the system. if you apply a thermostat, you will arbitrarily
change that. i am not sure what a good choice would be in this
case. i suspect it will depend a lot on the kind of properties that
you want to extract from the calculation. i would be very tempted
to go with nve.

cheers,
    axel.