[CP2K-user] Adding DFT-D3 paramter for Am

Junbo Lu luju... at gmail.com
Sat Sep 5 06:30:30 UTC 2020


Dear all CP2K experts,
    I want to use dft-d3 parameter for Am element in CP2K. But there is no 
dftd3 parameter for Am. Currently, I want to use parameters of Pu to 
sustitute Am. But I do not know how to revise dftd3.dat. Could anyone help 
me? I would be very appreciated!
    With my best regards,
    Junbo
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