LORBIT: What's the coordinate frame?
Posted: Wed Oct 04, 2006 2:41 pm
Hi all,
When I specify LORBIT and get the orbital decomposed DOS, what's the coordinate frame for the projections? Is it the universal xyz (i.e. the coordinates where I give the POSCAR), or is it something more elaborate? (i.e. do I need to rotate my supercells to align the z-axis with some bond to get physically reasonable projections or not?)
Thanks for your help.
When I specify LORBIT and get the orbital decomposed DOS, what's the coordinate frame for the projections? Is it the universal xyz (i.e. the coordinates where I give the POSCAR), or is it something more elaborate? (i.e. do I need to rotate my supercells to align the z-axis with some bond to get physically reasonable projections or not?)
Thanks for your help.