Generation of Pseudopotentials for
Quantum Mechanical Calculations with SeqQuest Code.
term: February 17- March 2, 2003
I optimized basis set for computations of Co with core replaced by
I calculated adiabatic surfaces for bcc, fcc, diamond, sc and hcp phases of
metallic Co in the ferromagnetic state.
I build phase diagram for metallic Co.
Dr. Eugene Heifets,