[Pw_forum] Error when running r.x for DFT+U

Ariadna Blanca Romero a.blanca-romero at imperial.ac.uk
Fri Jan 16 16:08:24 CET 2015


Dear Matteo, 

Thanks for your explanation about the scale of the lattice vectors, that clarifies me all. I wanted to be completely sure, because in case we aren't using the crystal atomic positions I think we must be careful to set up the lattice vectors properly in the pos.in file. Now all seems to run properly. Thanks again!

Reagards, 

Ariadna    



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