Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
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Hello, we are trying to get to grips with multiwfn and hoping the commmunity can help.
In 4.200.14 of the manual it shows that one can generate effectively NCI surfaces and selectively integrate the charge density only wihtin these basins. We have managed to integrate the charge density within these regions successfully.
In section 3.200.14 it however suggests that any multiwfn-supported function can be integrated, and we would like to integrate the laplacian of rho(r) within these basins. We cannot however quite figure out how to do this (and even if it would be supported).
Would anybody be able to provide some guidance on this?
Many thanks,
Adam
Pages: 1