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CASTEP: Psuedopotentials

CASTEP has several internal libraries of pseudopotentials which can be selected using.

%block species_pot

   NAME_OF_LIBRARY

%end_block species_pot

The main library you may wish to use is the set of Norm Conserving potentials selected using the library NCP.

Retrieved from http://www.castep.org/CASTEP/Psuedopotentials
Page last modified on August 10, 2015, at 05:08 PM