[DFTB-Plus-User] How to generate cubes using AO coefficients and basis file

Sharma SRK Chaitanya Yamijala sharmajncasr at gmail.com
Wed Oct 5 17:31:25 CEST 2016

Dear all,

Does anyone have any experience in generating cube files using basis-set
file (wfc.3ob-2-1.hsd) and AO coefficients (of a particular MO)?

I am aware of how to use waveplot and I am not asking this. I want to know
the procedure (for example, using voxels etc or something else) on how to
generate (Any paper describing this would be of a great help).

Thanking you,

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