Alex Granovsky
gran@classic.chem.msu.su
if you mean restarting calculations using precomputed 2-e integrals,
this can be done using $contrl irest=2 $end option provided that the
required AOINTS* file(s) was (were) not erased and calculations use
the same directory for temporary files.
regards,
Alex Granovsky
On Wed Jan 27 '10 11:12pm, Dani wrote
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>Dear All,
>An earlier post suggested that the SCF part of polarizability and hyperpolarizability calculations could be restarted and not the actual 2 electron integrals performed during calculation of alpha and beta. I wanted to know if there exists a temporary folder in which iterations of the 2 electron integral are performed and if so, how I might be able to access this.
>Thank you for your time,
>Danielle Tokarz
>University of Toronto