[Pw_forum] semiempirical dispersion correction

[Tone Kokalj]

On Thu, 2017-04-27 at 17:32 +0200, Giuseppe Mattioli wrote:
> Anyway, with D2 you can reconfigure the C6
> coefficient of every species to exclude (maybe using dummy names for
> involved atoms) 
> whatever atom you want. Look into mm_dispersion.f90, change the
> values and recompile the code.

There is a much more elegant way to do this: you can change the
C6 coefficient of any atomic-type using the london_c6 variable in the
&SYSTEM namelist, i.e.:

http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idm140629872257200

Best regards, Tone
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