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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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