Np pseudopotentials

Yasaman y.ghad... at gmail.com
Wed Jan 26 19:48:07 CET 2011


Dear cp2k members,

I would like to perform some calculations with Np(III) at water-alkane
interface and to do so I need Np pseudopotentials that are developed
for Np (III).I was wondering if those pseudopotentials are implemented
or if they are in the process of developing.

I would appreciate any help and suggestions

Thank you

Yasaman


More information about the CP2K-user mailing list