HSEsol functional

S. Ling lsl.m... at gmail.com
Fri May 13 11:32:09 UTC 2016


Dear CP2K developers,

I would like to use the HSEsol functional 
(see http://dx.doi.org/10.1063/1.3524336) in CP2K. It looks like majority 
part of the functional is already available in CP2K, except the short-range 
PBEsol exchange (see Equation 4 of the paper). I am wondering whether you 
can implement that into CP2K.

Many thanks!

SL


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