[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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