BSE

Parameters influencing the Bethe-Salpeter calculations on top of GW eigenvalues. [Edit on GitHub]

Keywords

MAX_ITER
NUM_Z_VECTORS
THRESHOLD_MIN_TRANS

Keyword descriptions

MAX_ITER: integer = 200 

Usage: MAX_ITER 200

Maximum number of iterations for determining the transition energies. [Edit on GitHub]

NUM_Z_VECTORS: integer = 20 

Usage: NUM_Z_VECTORS 50

Number Z vectors used in the subspace iterations. This is a convergence parameter: Increasing NUM_Z_VECTORS should keep the result constant in case of convergence,. [Edit on GitHub]

THRESHOLD_MIN_TRANS: real = 1.00000000E-003 

Aliases: EPS

Usage: THRESHOLD_MIN_TRANS 0.001

Threshold for stopping the iteration for computing the transition energies. If the lowest excitation changes by less than THRESHOLD_MIN_TRANS (in eV), the ieration stops. [Edit on GitHub]