[Wien] Convergence criterion
John Appleton
banger_deep at yahoo.com
Fri Oct 20 17:09:56 CEST 2006
Dear user,
I know that the convergence criterion for energy is
1/2 [|En - En-1| + |En - En-2|] where En is the
energy in the nth scf step.What is the criterion
used for force convergence?
Thanks
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