Hello everyone,
I was wondering if anybody has experience in using MEAM or Tersoff potentials for 3C SiC. I'm trying to obtain the dispersion relation for SiC but I find that the optical phonon modes predicted with MEAM SiC have much higher magnitudes than those in the literature. When I try the Tersoff potential I find that in a constant energy run the energy of the system drifts considerably.
Any suggestions are appreciated.
thanks
Jaime Sanchez