asked by Philipp Hansmann (2018/06/07 08:00)
Dear Developers,
Is there a way to store converged wavefunctions of a “big” calculation? (or better: what would be the most efficient way?)
More specifically: Let's say the convergence to the X lowest states takes Y hours. Now it could be that I forgot to evaluate expectation values I am interested in or, even more importantly, I want to use the wavefunction as a starting point for a next calculation.
Many Thanks in advance!