[Wien] :WARN P(J,JATOM) almost zero

[Elias Assmann]

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.
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>