gautol
Posted: Mon Sep 30, 2024 6:16 am
Hello Casino developers.
While reading the CASINO documentation I discovered:
Best wishes, Vladimir.
While reading the CASINO documentation I discovered:
What about slater functions in this context?Gaussian basis functions can be regarded as localized if they are truncated to zero outside a certain
radius. This is done by default in casino: Gaussian functions exp(−ar²) are assumed to be zero
when exp(−ar²) < 10^-GT , where GT is the gautol input parameter (default 7).
Best wishes, Vladimir.