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