Hirshfeld charges

Started by Andreas Heyden, February 18, 2019, 12:51:17 AM

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Andreas Heyden

February 18, 2019, 12:51:17 AM
Hello,

Is there any way to compute Hirshfeld charges with Turbomole? I would like to compare Hirshfeld charges with NPA charges.

Thanks,
Andreas

uwe

#1
February 27, 2019, 08:21:44 PM
Hi,

no, unfortunately, Hirshfeld charges are not available (date of this status: February 2019).

Sorry,

Uwe
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