Which mode?¶
- Memory consumption:
LCAO < PW < FD
- Speed:
PW > LCAO > FD (small systems)
LCAO > PW > FD (large systems)
- Absolute convergence:
PW > FD > LCAO
- Egg-box errors:
PW < LCAO < FD
- Features:
FD > LCAO > PW (old features)
PW > LCAO > FD (new features)