[molpro-user] implementation of revPBE exchange functional within molpro

Garold Murdachaew murda at sissa.it
Sun Jan 22 17:18:48 GMT 2006

I am wondering if anyone has implemented the revPBE exchange functional 
[as described in Y. Zhang and W. Yang, Phys. Rew. Lett. 80 890 (1998)]
within molpro.  It should be relatively easy as it requires the change 
of just a single parameter value (from 0.804 to 1.245).  Is there a patch 
to add this? Or can one simply edit some files and recompile?

Thank you in advance,
--Garold Murdachaew

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