[molpro-user] Errors in manual: DELT and OPRD
wangm9 at Cardiff.ac.uk
Mon Apr 2 10:19:22 BST 2007
Dear Jutho Haegeman,
They have also been corrected in patch cube_delta_oprd for 2006.1.
Thank you for providing important information.
Jutho Haegeman wrote:
> Dear Molpro Users,
> there seem to be some Molpro keywords which are consistently typed
> erroneous throughout the Molpro manual. I just discovered by pure
> guessing that the correct operator name for the expectation value of the
> delta function, isn't DELT but DELTA. Using "expec,DELT" as for example
> hf-directive leads to an error, just as using "load,rho0,OPER,delta" in
> matrop. Using DELTA instead solves both problems.
> Next up is the "OPRD" directive in matrop, for which I unfortunately
> don't know the correct version, resulting in the error
> "Unknown directive OPRD for command MATROP".
> Anybody knows this one?
> Thanks in advance,
> Jutho Haegeman
School of Chemistry, Cardiff University,
Main Building, Park Place,
Cardiff CF10 3AT, UK
Telephone: +44 (0)29208 76637
E-mail: wangm9 at cardiff.ac.uk, manhuiwang at gmail.com
More information about the Molpro-user