| 5:28:59 AM PDT - Thu, Apr 26th 2018 |
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You can use the property module to calculate the molecular polarizability for HF/DFT (https://github.com/nwchemgit/nwchem/wiki/Properties#response-calculations). For example, add
property
response 1 0.0
end
task dft property
to your input to calculate the static polarizability. Change 0.0 to the desired frequency in atomic units to calculate the dynamic polarizability. If you are interested in the coupled-cluster polarizability, see the TCE documentation (https://github.com/nwchemgit/nwchem/wiki/TCE#tce-response-properties).
Calculation of the hyperpolarizability is not implemented.
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