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


Section SCF::Eigensolver
Type integer

Determines the maximum number of iterations that the eigensolver will perform if the desired tolerance is not achieved. The default is 25 iterations for all eigensolvers except for rmdiis, which performs only 5 iterations. Increasing this value for rmdiis increases the convergence speed, at the cost of an increased memory footprint. In the case of imaginary time propatation, this variable is not used.

Source information

Featured in tutorials

Featured in chapters of the manual: