[Pw_forum] Generate pseudopotential for Sb
Lorenzo Paulatto
paulatto at sissa.it
Wed Mar 3 21:22:05 CET 2010
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
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Lorenzo Paulatto
SISSA & DEMOCRITOS (Trieste)
phone: +39 040 3787 511
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