The ABINIT Users Mailing List ( CLOSED )

[marcel@physik.tu-berlin.de]

Hello

I hope somebody can comment on the following error. The distance of two atoms 
does obviously not vanish. 
I calculated the same system with another set of k-points and it finishes 
flawlessly. 

Here are my outputs:
-------------------------------
Output of anadbb:
 Calculation of the interatomic forces

-begin at tcpu      0.040  and twall      0.042 sec
 ewald9 : ERROR -
  The distance between two atoms seem to vanish.
  This is not allowed.
  Action : check the input for the atoms number    1 and    2.

 leave_new : decision taken to exit ...

---------------------------------

---------------------------------
part of my dbb:
      xred  0.33333333333333D+00  0.66666666666667D+00 -0.10183639600000D-02
            0.66666666666667D+00  0.33333333333333D+00  0.49898163604000D+00
            0.33333333333333D+00  0.66666666666667D+00  0.37601836397155D+00
            0.66666666666667D+00  0.33333333333333D+00 -0.12398163602845D+00
---------------------------------

Thanks in advance

Marcel Mohr