<![CDATA[Multiwfn forum / Two important updates on the function of exporting .47 file]]> http://www.shanxitv.org/wfnbbs/viewtopic.php?id=1466 Fri, 12 Jul 2024 10:27:53 +0000 FluxBB <![CDATA[Two important updates on the function of exporting .47 file]]> http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=4399#p4399 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.

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