Closed stigrj closed 3 years ago
Something goes wrong in the CORE/SAD initial guess when you go for the trifecta:
CORE/SAD
world_size
L=[-128,128]
guess_prec
1.0e-3
Presumably because some sharp function is not properly resolved, either the TMs nuclear potential or its 1s AO.
1s
Something goes wrong in the
CORE/SADinitial guess when you go for the trifecta:world_size: e.g.L=[-128,128]guess_prec: e.g.1.0e-3Presumably because some sharp function is not properly resolved, either the TMs nuclear potential or its
1sAO.