[CPMD-list] VDW energy

[Axel Kohlmeyer]

On Mon, 9 Apr 2007, Ari P Seitsonen wrote:

hi!

one comment to the comments. :)

AS> I would also add
AS> 
AS>    CONVERGENCE
AS>     1.0E-7 1.0E-4

the recommended form for this is:

CONVERGENCE ORBITALS
   1.0d-7
CONVERGENCE GEOMETRY
   1.0d-4

much more obvious.


cheers,
   axel.


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