[DFTB-Plus-User] SCC does not converge
Yang Yang
sheep0930 at gmail.com
Thu Apr 17 18:18:11 CEST 2014
Dear Sir/Madam,
I always encounter the problem that the scc dos not converge for more than
800 steps. For a very simple case like a bare edge (9,0) carbon nanotube,
when I try to relax the structure it never converged. Could anyone help me
with that?
Best,
Yang
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