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On #40 with supercell = [3,1,1] and display_progress=true in the eigensolver, the eigensolver fails to converge. Not sure if there are not enough extra bands or if we're doing something wrong. Need to investigate this to do David's thing. Also not sure what convergence criteria people typically take for the iterative eigensolver, but I'm pretty sure it's way less tight than what we do now.
@mfherbst I hope you don't mind, I'm kinda using the issue tracker as a TODO list...
The text was updated successfully, but these errors were encountered:
On #40 with
supercell = [3,1,1]
anddisplay_progress=true
in the eigensolver, the eigensolver fails to converge. Not sure if there are not enough extra bands or if we're doing something wrong. Need to investigate this to do David's thing. Also not sure what convergence criteria people typically take for the iterative eigensolver, but I'm pretty sure it's way less tight than what we do now.@mfherbst I hope you don't mind, I'm kinda using the issue tracker as a TODO list...
The text was updated successfully, but these errors were encountered: