[Wien] Mini stop

[Jorissen Kevin]

Probably too stupid to help, but it happened to me once :
a file .stop_mini or so that was left from a previous job, and instructed the min program to stop.  A simple rm will do in that case.
 
Kevin.
 

________________________________

Van: wien-admin at zeus.theochem.tuwien.ac.at namens Leonardo Pisani
Verzonden: di 21-9-2004 10:36
Aan: wien at zeus.theochem.tuwien.ac.at
Onderwerp: [Wien] Mini stop



Dear Wien user,

can anyone tell me which kind of situation should I expect when the
minimization stops after completing the scf calculation for a certain
structure  while the forces are still greater than tolf specified  in .inM ,
and no error message is produced.

Thank you,
Leonardo Pisani

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