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LORBIT: What's the coordinate frame?

Posted: Wed Oct 04, 2006 2:41 pm
by hra
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.

LORBIT: What's the coordinate frame?

Posted: Wed Oct 18, 2006 3:16 pm
by admin
the coodinate frame is the global frame of the lattice, there is nothing like rotation of local coordinate systems done in VASP.
[ Edited Wed Oct 18 2006, 05:17PM ]