[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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