Hi all,

I am writing a script that performs a series of CASTEP Energy calculations on organic crystals at different plane wave cutoff values. I'm having trouble extracting the FinalEnergy property from the results object. This is a known issue that occurred in a previous version of MS and fixed as described here: https://community.accelrys.com/message/2149#2149. I get the same error: "There is no function or property named "FreeEnergy" on type "KeyValuePairs" at -e line 35."  The script is running locally on Windows 7 and Materials Studio 6.0.  I can parse the .castep file, but I'd prefer not to.

The relevant part of the script:

        my \$results = \$module->Energy->Run(\$doc);

        \$std->Cell(\$i, 0) = \$cutoff;

        \$std->Cell(\$i, 1) = \$results->TotalEnergy;

The full script is attached as well.  (Cutoffs and quality were intentionally set low for script testing)

Thanks,

Steve Monaco