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.
Dr. Gloria Cardenas-Jiron from the Universidad de Santiago, Chile visited our lab from Feb. 14 to Feb. 20. She presented a seminar entitled:How can we model photo sensitization, redox and charge transport properties of porphyrins and pthalocyanines?