Hello,

I use lda+u ( U =4 ev) for calculate the total energy of BiFeO3-R3c

I'm trying to have a total energy convergence as fonction of ecut, but I have a problem with RHOIJ

I have in log file:

(print_ij: WARNING -

The matrix seems to have high value(s) !

( 7 components have a value greater than 10.0).

It can cause instabilities during SCF convergence.

Action: you should check your atomic dataset (psp file)

and look for "high" projector functions...)

I don't know how I can to resolve this problem?

thank you for your help

Best regards.