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PW91

Libxc dX40 testing using PW91

Submitted by yyamamoto on Tue, 02/09/2016 - 16:22

Here is comparison of potmix, hammix, and Libxc using PW91 functional and dX40 testing set. Potmix uses builtin PW91 and potential mixing. Hammix uses builtin PW91 and Hamiltonian mixing. Finally, Libxc uses Libxc PW91 and Hamiltonian mixing.

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