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?
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hra
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LORBIT: What's the coordinate frame?
Last edited by hra on Wed Oct 04, 2006 2:41 pm, edited 1 time in total.
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admin
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LORBIT: What's the coordinate frame?
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 ]
[ Edited Wed Oct 18 2006, 05:17PM ]
Last edited by admin on Wed Oct 18, 2006 3:16 pm, edited 1 time in total.