next up previous
Next: calculate_born_charges Up: Data Previous: phonon_calc_lo_to_splitting

logical :: phonon_sum_rule

Selects whether to explicitly correct the dynamical matrix to enforce the acoustic q=0 phonon sum rule, i.e. that 3 modes have zero frequency at q=0.

The default value of this parameter is FALSE.



Jonathan Yates 2004-04-16