[Wien] SCF with force convergence
Stefaan Cottenier
stefaan.cottenier at fys.kuleuven.ac.be
Fri May 6 13:52:05 CEST 2005
> When I run SCF with the option force convergence I get an error message
> "Force convergence not possible. Forces not present". With other (charge
> & energy) options SCF works okay.
> Could you suggest where I might have gone wrong?
You are probably using a structure where there are no atoms with a free
parameter in their coordinates (like bcc-Fe, or TiC). There no forces in
such case, and force convergence as criterium is not applicable.
Stefaan
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