[Wien] "TOT" to "FOR" in case.in2 "-I"

Stefaan Cottenier Stefaan.Cottenier at UGent.be
Wed Feb 12 16:33:15 CET 2014


> I was wondering why "TOT" would switch to "FOR" in case.in2-files
> despite using "-I" flag?

The change of TOT to FOR is controlled by the -fc option. The meaning of 
-I is that FOR is switched back to TOT at the start of a new scf cycle. 
If -fc is present, than it will switch to FOR again for the last 
iteration of that scf cycle.

Stefaan



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