Re: [Pw_forum] Relativistic NC-PP's for uranium

2018-01-26 Thread Vahid Askarpour
You can download rel-pz.0.3.1.tgz from the following website: http://theossrv1.epfl.ch/Main/Pseudopotentials The file includes norm-conserving LDA full-relativistic pseudopotentials. Also available are the PBE counterparts. Cheers, Vahid Vahid Askarpour Department of Physics and Atmospheric

[Pw_forum] Relativistic NC-PP's for uranium

2018-01-26 Thread Malte Sachs
Dear all, I want to calculate the orbital-magnetization of uranium compounds. Thus, I am looking for full-relativistic norm-conserving pseudopotentials for uranium. Up to know, I could not manage it to build my own ones. I also didn't find any relativistic uranium pseudos in the databases lis