Two important updates on the function of exporting .47 file

dummy@example.com (sobereva) — Fri, 12 Jul 2024 10:27:53 +0000

Multiwfn updated today has two important changes about exporting NBO .47 file:

IMPROVEMENT: f-type spherical-harmonic basis functions have been supported in exporting NBO .47 file.

BUG FIXED: The contraction coefficients of spherical-harmonic D shells in the .47 file exported by Multiwfn are all zero.

Multiwfn forum / Two important updates on the function of exporting .47 file