Hi, all
I have successfully produced a pseudopotential (psp) for U using the Atom code. When I do a structural optimization within Siesta using this psp, there is warning in the main output file, I do not know what is the problem and how to fix it. The warning is listed below. Any comment is appreciated. Fei Mao Beijing Normal University The warning: Vna: Cut-off radius for the neutral-atom potential: 5.031439 Vna: WARNING: Cut-off radius for the neutral-atom potential, rVna = 5.03144 Vna: WARNING: Cut-off radius for charge density = 3.33077 Vna: WARNING: Check atom: Look for the sentence: Vna: WARNING: LOCAL NEUTRAL-ATOM PSEUDOPOTENTIAL Vna: WARNING: Increasing the tolerance parameter EPS Vna: WARNING: might be a good idea comcore: Pseudo-core radius Rcore= 6.145420
