[CPMD-list] Are there any B3LYP pseudopotentials for transitional metals?

Xin Liu dut.xliu at gmail.com
Wed Jun 20 07:14:14 CEST 2007


Dear all,

I want to study adsorption of small molecules on transitional metals
with hybrid functionals like b3lyp function, but I found that there is
no such a pseudo potential listed in the PP_LIB. Can someone give me a
hand?

Sincerely yours

Liu Xin


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