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

[Salman Zarrini]

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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Dear Stefaan,

Thank you for your answer. My MSR1a minimization job was set up to  
"TOT" in the beginning but switched to "FOR" in the first cycle and it  
is still in "FOR" mood in the 12th cycle. So "A new scf cycle" does  
not necessarily mean the first or second cycle, but it switches back  
to "TOT" as soon as -fc lets and continues with "TOT" till the last  
iteration.

Cheers,

Salman
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