[CPMD-list] which pp choose

Pierre Mignon pmignon at vub.ac.be
Tue Nov 26 16:54:06 CET 2002

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Hello, I am new in using cpmd, i am interested in using the BLYP functionnal, the Goedecker pp parameters are already present with the program. But i noticed that Trouiller-Martins parameters can also be used with the BLYP functionnal. So my question is what is the difference between these two pseudopotentials ?


Pierre Mignon.
PhD student 
Vrije Universiteit Brussel

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