Error in geom_get_forces - electronic_minimisation of current_cell failed Current trace stack:geom_...
outer SCF loop FAILED to converge after 201 iterations or *** steps *** WARNING in qs_scf....
at the beginning, I failed. When I went over the .out file, I found the reason: scf does not converge within after 100 iterations. This is the first time I met this kind of failure. In the end, I add nbnd from 8 to 12, then scf can converge within 30 iterations. ...
as both kinases are not highly active during the G1/S transition, when Cdh1 stability is low, but are highly active in G2, when Cdh1 stability is increased, we speculated that an additional S-phase-active kinase might cooperate with these kinases to destabilize...