response property of cation

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Switch to 2emet 13
The failure is caused by the algorithm used when the 2emet keyword is set equal to 12.
Please set 2emet equal 13 and you calculation will run successfully.
2emet 13

Cheers, Edo

PS: You might want to modify the tce:respaxis line, too, to have all three components calculated
(e.g. set tce:respaxis T T T), since when only one is calculated, you might get a failure.
Edited On 2:47:51 PM PDT - Fri, Aug 16th 2013 by Edoapra

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