Rotation for local coordinates
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leostorm10
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Rotation for local coordinates
Dear vasp users, I want to get m-projected density of states but for this I have to give rotation to local coordinates. Could anyone tell me please if in vasp we can give rotation to local coordinates.Thanks in advance.
Last edited by leostorm10 on Tue Aug 16, 2011 8:11 pm, edited 1 time in total.
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admin
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Rotation for local coordinates
no, vasp does not work with local axes, the axes are fixed for the unit cell. You can of course check yourself how the axes are rotated locally, and choose the appropriate lm combinations for the rotated axes from DOSCAR yourself.
Last edited by admin on Wed Aug 31, 2011 4:34 pm, edited 1 time in total.