[Wien] negative value of force FGL

[Laurence Marks]

It means that some of the atoms are not exactly at the minimum energy
position. If the numbers are large AND you have FOR in the first line
of case.in2 then you should pay attention to this. However, if you do
not have FOR then the forces have not been corrected with the Pulay
terms so do not mean anything.

2011/5/26 Karen tim <karenlpat at gmail.com>:
> Dear Stefaan
> actually i mean if the total force in my structure is not zero that mean
> there is a problem is n it
>  Best regards,
> Tim
>
>>A component of a vector might be either positive or negative...
>
>>Stefaan
>>> after running an scf calc i 'v got a negative value of force FGL009
>>> for my supercell
>>> can you tell me what does it mean in general
>
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-- 
Laurence Marks
Department of Materials Science and Engineering
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Northwestern University
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Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Research is to see what everybody else has seen, and to think what
nobody else has thought
Albert Szent-Gyorgi