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When a ProjectorShell is created it creates a view of the full projector array with orbital 'ilm' and band 'ib' indices interchanged. The reason for this is that this corresponds more naturally to the definition of the projector P_{m\nu} and also allows for multiplications of projector matrices without additional transposition. The tests have been modified accordingly. |
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.. | ||
inpconf | ||
plocar_io | ||
plotools | ||
vaspio | ||
adv_example.cfg |