On 12/18/2012 07:06 PM, Peter Blaha wrote: > Most likely not a problem. All it has done was to shift the E-parameter > for some Sr atoms and l-values > a bit, such that the radial wf. is non-zero at RMT.
Good to know, thanks. I had never encountered the warning before. > > Am 18.12.2012 13:40, schrieb Elias Assmann: >> Hi, >> >> I got a lot of warnings >> >> :WARN : P(J,JATOM) almost zero. Shifted Energy by -0.05 down to >> 0.3230 >> >> in a calculation. Can somebody tell me what it means? (And perhaps >> even if I need to worry about it?) >> >> The warning is given for some, but not all, of the Sr atoms in my >> structure. >> >> Elias Assmann >> >> PS: I will of course give details about the calculation on demand, but >> right now I do not know what is relevant. >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >