[CPMD-list] lattice parameters

[Irena Efremenko]

Dear CPMD users,
I am new in periodic DFT calculations. As I understand, before modeling 
a surface, I have to optimize lattice parameters in bulk in order to 
choose appropriate size of supercell. Can somebody here explain me how 
to perform this first calculation?
Thanks in advance,
Irena
-- 
Dr. Irena Efremenko
Wolfson Department of Chemical Engineering
Technion - Israel Institute of Technology
Haifa 32000, Israel
Phone: 972-4-8293561
Fax: 972-4-8230476