[molpro-user] Errors in manual: DELT and OPRD

[Manhui Wang]

Dear Jutho Haegeman,

They have also been corrected in patch cube_delta_oprd for 2006.1.

Thank you for providing important information.

Manhui Wang


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,
> Sincerely,
> 
> Jutho Haegeman
> 

-- 
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Manhui  Wang
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