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![]() In the previous commit the calculation of 'nelect' was implemented incorrectly. The sum over k-points must also contain k-weights and a spin factor (2.0 for ns = 1). The calculation of 'nelect' is now implemented as a separate method of ProjectorGroup. |
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.. | ||
c/plocar_io | ||
doc | ||
examples/simple | ||
python | ||
test | ||
notes.txt |