[Wien] Volume optimization and equilibrium position of atoms in orthorhombic lattice

Joey Davis joeydavismail at yahoo.com
Fri Nov 10 14:28:39 CET 2006


                    
Dear all  I want to do the volume optimization of a orthorhombic lattice (space group Pnma), 
and I need the lattice parameters of this lattice under different pressure. Further more, 
I need to determine the equilibrium position of all individual atoms in this lattice under 
different pressure.  I only know some basic using methods of OPTIMIZE (for example cubic lattice) and MINI, 
what should I do?                                     Thanks in advance and best wishes

Joey Davis
 
 
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