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

                                                                        term: September 1-14, 2002

Completed tasks:

  1. I completed generation of pseudopotential for Pb with PBE functional.
  2. I completed basis sets optimizations for Sr, Zr, and Pb
  3. Optimizations of lattice constants for Sr, Zr, and Pb metals in sc, bcc, fcc, a15, diamond, and hcp phases are completed.
  4. Several problems in SeqQuest code were detected:


 Dr. Eugene Heifets,