Replying to message "Re: [Pw_forum] Generate pseudopotential for Sb" from Vo, Trinh (388C) (03/03/10): > I did not see they coincide at r>rcut (rcut=0.8 au) for the 4d wfc. > Attached is my plot. Did you have different plot. I use QE 4.1.2.
Are you sure you ploted the right couple? Maybe you are comparing the US wavefunction at an energy/j with the AE at another energy/j. To be sure, I would have to check the command you have used to generate the plot, more than the plot itself. cheers -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ *** save italian brains *** http://saveitalianbrains.wordpress.com/
