ExtraStatesToConverge

A - B - C - D - E - F - G - H - I - K - L - M - N - O - P - Q - R - S - T - U - V - W - X

ExtraStatesToConverge

Section States
Type integer
Default ExtraStates (Default 0)

For gs and unocc calculations. (For the gs calculation one needs to set ConvEigenError=yes) Specifies the number of extra states that will be considered for reaching the convergence. The calculation will consider the number off occupied states plus ExtraStatesToConverge for the convergence criteria. By default, all extra states need to be converged (For gs calculations only with ConvEigenError=yes). Thus, together with ExtraStates, one can have some more states which will not be considered for the convergence criteria, thus making the convergence of the unocc calculation faster.


Source information