SCF at small ecut and restart at larger ecut?
Posted: Sun Mar 10, 2019 1:21 pm
Hello,
What is the best way to do a single point calculation at a small ecut and then use the density file to start another calculation at a larger ecut? I am using PAW potentials.
Thank you!
Stacey
What is the best way to do a single point calculation at a small ecut and then use the density file to start another calculation at a larger ecut? I am using PAW potentials.
Thank you!
Stacey