[CPMD-list] About the pseudo potential
mano mano
berrezmanou at yahoo.fr
Wed Feb 27 10:50:50 CET 2008
Dear users,
thanks one again for your help. I find in the library different kind of pseudo-potentials. I would like to know, how to choose the appropriate one?.
another question: the paremeters of each pseudo-potentiel are done for isolated atoms, but within a bulky system in which the environement influces, there is a way to take in consideration of this package, and how to modify the pseudo potentiel?
thank you and good luck.
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