5.7.13. dft.guess_random¶
- eminus.dft.guess_random(scf, Nstate=None, seed=42, symmetric=False)[source]¶
Generate random initial-guess coefficients as starting values.
- Parameters:
scf – SCF object.
- Keyword Arguments:
Nstate – Number of states.
seed – Seed to initialize the random number generator.
symmetric – Whether to use the same guess for both spin channels.
- Returns:
Initial-guess orthogonal wave functions in reciprocal space.