[Wien] dispersion correction for superheavy elements in Wien2k ?
Ilias Miroslav, doc. RNDr., PhD.
miroslav.ilias at umb.sk
Wed May 31 21:16:44 CEST 2023
Greetings,
I am wondering how to include dispersion corrections for superheavy elements (up to Z=120) with Wien2k, either via dft-d3, or dft-d3 or the nlvdw module (based on http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ) ?
Best, Miro
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