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EAMF and Gaunt

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Peterson, Kirk A

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Apr 1, 2025, 2:13:46 PMApr 1
to dirac-users, Bonar, Brooke

Dear Dirac experts,

 

Is there a reason why when we try to use the new extended AMF routine (eamf) in X-AMFI with Gaunt turned on we get the error:

 

Gaunt not implemented for SOFOCK

 

This happens before the 1st iteration of the DHF.  The new AMF routine works, just not EAMF.  From the paper that introduces this method, Gaunt was included for CdF6, so I’m not sure what we are doing wrong. We are using a fresh build of Dirac25.

 

Best regards,

 

-Kirk

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