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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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.. | ||
.gitignore | ||
DOSCAR | ||
EIGENVAL | ||
example.cfg | ||
IBZKPT | ||
mytest.py | ||
OUTCAR | ||
PLOCAR | ||
POSCAR | ||
projgroups.out | ||
projshells.out | ||
runtest.sh | ||
test_consistency.py | ||
test_plotools.py | ||
test_projgroups.py | ||
test_projshells.py | ||
test_select_bands.py |