<DIV>Dear all users,</DIV> <DIV>I 'm doing an afm calculation. I use this commandline "runafm_lapw -in1org -in1new3 -qtl 0.05 -cc 0.0001 -NI". the converge goes well but before convergence to .0001 at 20th itteration my scf sycle stops.I save it in a directory and continue with runsp calculation then the convergence limit goes lower than 0.0001 at 20th itteration but I can not see any 1 1 1 which shows that the convergence is finished in the last itteration in STDOUT. analysis shows me that :DIS become gradually smalller and smaller and the :MMTOT is zero in all itterations in both of these executes</DIV> <DIV> I want to know that my calculation is correct or not and whithout showing 1 1 1 in last itteration in STDOUT, by reaching last convergence limit lower than 0.0001, is my calculation converged or not? </DIV> <DIV>My second question is that where I should save the second runsp calculation?</DIV> <DIV>I'm so Interested to
your answeres.</DIV> <DIV>Regards,</DIV> <DIV>Najmeh Soltani</DIV><p> 
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