[CPMD-list] B3LYP with CPMD?

[Francois-Xavier Coudert]

Hi Axel, hi Lan-Feng,
> yes. hartree-fock exchange with distance screening is available in 3.11.
> please see the version history in the manual:
>
> - Distance screening for HFX calculation and hybrid funcional for PBC
I just want to point out that there is no mention of the SCREENED 
EXCHANGE keyword in the CPMD manual, although it's required to run such 
calculation. The best documentation right now seems to be the dftin.F file:
C     ==    SCREENED EXCHANGE [SELF] {EXP,ERFC}                       ==
C     ==      srxa                                                    ==

Regards,
FX
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