SUM OF ATOMIC FORCES and TOTAL ENERGY while Geometry Optimization

[Irtaza Hassan]

I don't have *.ener file, however I attached my input file.
Also I extracted total energy and sum of atomic forces from the output file 
which are in the energy-1.dat and forces-1.dat files respectively.


On Monday, March 16, 2015 at 6:22:07 PM UTC+1, Samuel Andermatt wrote:
>
> Could you post the output and input files? Probably the *.ener file would 
> also be good.
>
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