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,
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.
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.
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
3 matches
Mail list logo