Report on 
Generation of Pseudopotentials for 
Quantum Mechanical Calculations with SeqQuest Code.

 

                                                                        term:   July 07-August 04, 2003
Completed tasks:

Basis set optimizations for Ca, Ga, In, Tl, Sn, As, Sb, Se, Cl,  I

Work in progress: 

Optimization of occupation numbers for s- and p-elements.

 

 

Dr. Eugene Heifets,

 08.10.2003