Becke charges

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12:33:14 PM PDT - Mon, May 4th 2015
Dear nwchem developers, Could you please let me know how do I calculate the Becke charges in nwchem. I could not see any keywords as there is to calculate the Mulliken(Lowdin) charges. Thanks. -Payal

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11:17:52 AM PDT - Thu, May 7th 2015
Hello Payal What exactly are Becke Charges?? Do you know if any other software is able to calculate those? pdpatel Quote:Payal.parmar May 4th 12:33 pm Dear nwchem developers, Could you please let me know how do I calculate the Becke charges in nwchem. I could not see any keywords as there is to calculate the Mulliken(Lowdin) charges. Thanks. -Payal