[QE-developers] implementation of a new exchange correlation potential

Jean Michel Sellier jeanmichel.sellier at gmail.com
Thu May 30 19:53:12 CEST 2019


Hello,

First of all, thank you so much for developing Quantum Espresso! I am
writing to you because, since several days, I am trying to implement the
following exchange-correlation potential into QE:

Tozer, Ingamells, Handy,
"Exchange correlation potentials", (1996).

I am not a computer scientist and this task seems to be more than I can
chew. Could you, please, let me know if there is some tutorial I could
follow for such implementation? Eventually, could someone help me about
that?

Thank you very much in advance,

JM Sellier

-- 
Jean Michel Sellier, Ph.D., M.Sc.

www.nano-archimedes.com

www.gnu.org/software/archimedes

www.gnu.org/software/nano-archimedes

www.gnu.org/software/gneuralnetwork

http://en.wikipedia.org/wiki/GNU_Archimedes
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