Hi,
Is there a method to specify a ghost atom (Bq/XX) in the geometry block for a DFT calculation without having to put a basis set on it?
I would like to put a zero electron ECP on a Bq, and whilst this is permissible for HF it won't pass gridrtrunc in DFT mode due to this error:
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gridrtunc: no basis on ghost atom? 2
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Of course, a work around is to put some heavily localised basis function in on the Bq, but if I have lots of Bqs then I am just increasing my compute time just to find a work around...
Any input appreciated. Cheers, Andy
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