FullDiagonalizationSolver

class FullDiagonalizationSolver(bands_above_fermi_level=None)

Constructor for information regarding the full diagonalization solver.

Parameters:

bands_above_fermi_level (Non-negative int | All) – The number of bands above the Fermi level per principal spin channel.
Default: All (All bands are included), except for calculators of type PlaneWaveCalculator; in this case the default number of bands above the Fermi level is determined by the bands_per_electron parameter on NumericalAccuracyParameters on the PlaneWaveCalculator. The default value of bands_per_electron=1.2 means that if there are 10 (valence) bands below the Fermi level, there will be two bands above. If more bands are included in the calculator, they will also be calculated as default.

bandsAboveFermiLevel()

Returns:

Number of bands above the Fermi level

Return type:

int

uniqueString()

Return a unique string representing the state of the object.