[Pw_forum] heavier elements with empirical dispersion don't work

[Martin Andersson]

Hi,

I have added parameters for elements 55-84 from Grimme's empirical 
dispersion to the mm_dispersion.f90 in Modules/ and recompiled the 
program. The program still doesn't work with Ba. The error reads:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      from  init_london  : error #         1
      atom Ba  not found
  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Could someone tell me what other modifications need to be done to the 
code in order to get it to work, please?

Cheers,
Martin Andersson,
University of Copenhagen