[molpro-user] Orbital directive
Cristina Sanz Sanz
c.sanzsanz at bham.ac.uk
Fri Jun 26 15:02:03 BST 2009
Dear all,
Does anybody know how to use IGNORE_ERROR with the ORBITAL directive in
a MCSCF
calculation? I have tried in any single place in the multi command and
it keeps not working but
it says I could use is to avoid the problem.
Does any of you an example where this directive works?
Thank you very much,
Cristina
--
Cristina Sanz Sanz
Postdoctoral researcher
School of Chemistry Phone: +44 (0)121 414 7475
University of Birmingham Fax: +44 (0)121 414 4403
Birmingham B15 2TT email: C.SanzSanz at bham.ac.uk
Web page: http://che-gwlinux4.bham.ac.uk/~csanz/index.html
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