Keyword DAVIDSON

This keyword controls the DAVIDSON diagonalization during a TDDFT calculation. This keyword has no effect if the keyword EXCITATION is not active.
Options:
BAS=$<$Integer$>$ The maximum size of the basis to be used in the iterative process, i.e., the size of the matrix to be diagonalized. The default value is 30.
EIG=$<$Integer$>$ The number of the lowest excited states to be used in the iterative process. The default value is 10.
MAX=$<$Integer$>$ The maximum number of iterations to be used in the iterative process. The default value is 500.
TOL=$<$Real$>$ The convergence criterion. The default value is $10^{-5}$.
Description:
In deMon2k the block Davidson algorithm [286] is used for finding the lowest eigenvalues and eigenvectors of the large TDDFT matrix.