Typically one does velocity scaling to "heat" their sample with MD.
How do we do this in VASP? Is it by setting the
Why can't we "heat" using a Nose-Hoover thermostat?
*when I tried both methods for "heating" (100 to 600 K) I found the total E increases in method 1 and decreases in method 2. Why is this the case? I'd expect energy to rise since I started in my ground state configuration. I'm using an NVT ensemble by the way (
Edit: I think my post was too long before so I simplified it