Re: Incorreect Im(alpha)
Posted: Tue Feb 04, 2025 8:08 am
Dear Chenhai,
indeed that's strange. I suggest you to reduce the number of bands to make some validation tests from scratch.
Consider reducing the number of bands in order to have a smaller BSE matrix and then try the different solvers (diagonal, haydock, inv.). The three should provide the same spectrum, and you can have an idea on how the spectrum looks like. Finally refine the calculation adding bands up to convergence.
I suggest you to remove the old database and regenerate them from scratch, also consider to work with more simplified input files keeping only what you really need.
Best,
Daniele
indeed that's strange. I suggest you to reduce the number of bands to make some validation tests from scratch.
Consider reducing the number of bands in order to have a smaller BSE matrix and then try the different solvers (diagonal, haydock, inv.). The three should provide the same spectrum, and you can have an idea on how the spectrum looks like. Finally refine the calculation adding bands up to convergence.
I suggest you to remove the old database and regenerate them from scratch, also consider to work with more simplified input files keeping only what you really need.
Best,
Daniele