What’s new in ADF 2019

Bug ADF2006 - ADF2020

A bug in the analytic Hessian for spin-polarized PBE calculations was introduced in ADF2006. In ADF2019.307 (and AMS2020.103) this bug is fixed. The bug only affects analytical frequency calculations ran without LibXC, for spin polarized (unrestricted) calculations with GGAs using PBE (PBE, OPBE, RPBE, revPBE, and S12g).

New features in ADF2019.3

In comparison to ADF 2019.1, the 2019.3 release offers the following new functionality:

New features in ADF2019.1

In comparison to ADF 2018, the ADF 2019 release offers the following new functionality: