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#1 2019-09-05 04:25:09

vroomroom23
Member
Registered: 2019-09-05
Posts: 1

McDens file from MC-PDFT

An ASCII McDens file is produced after an MC-PDFT calculation. What information can one extract from this file? Is it possible to extract atomic spin densities (at the MC-PDFT modified level) from this file?

Thanks.

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