esp: bas rtdb load failed

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Forum Vet

10:57:00 AM PST - Thu, Nov 21st 2019
The ESP module is only compatible with the LCAO modules and not the plane-wave module. In other words, you can can performed ESP calculations after SCF or DFT calculations. Here is an input example https://github.com/nwchemgit/nwchem/blob/master/QA/tests/esp_benzene/esp_benzene.nw