[Wien] scf
Mourad Karima
mounirwienph at yahoo.fr
Sun Nov 18 23:02:08 CET 2012
Thank you Pr.Gavin Abo
-W ien2k 2011
-run more cycle up to in cycle 27 stop in vol -6 .0
- and after ; run more cycle up to in cycle 40 energy in SCF Converged in vol -3 .0
-and after run more cycle up to in cycle 40 energy in SCF Converged in vol 0.0
and are Continuing calculation
Thanks
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121118/c3d0e308/attachment-0001.htm>
More information about the Wien
mailing list