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

 

                                                                        term:  January 18 - February 16, 2003
Completed tasks:
  1. I built phase diagram for PbTiO3 .
  2. I prepeared and made a report at the Workshop on Ferroelectrics 2003  on simulation of perovskite surfaces.
  3. I prepeared and submitted a paper at the Workshop on Ferroelectrics 2003  on simulation of perovskite surfaces.
  4. I prepeared pseudopotential for Co.


Task in work:

Optimization of basis set for Co.
 
 
 
 

 Dr. Eugene Heifets,

 02.18.2003