[QE-users] new qe superfeatures

[Aleksandra Oranskaia]

Can please somebody explain how "additional k points" work? For example,
for 2 2 2 in nqx, 6 6 6 in dft and additional points in crystal_b:
3
0.0 0.0 0.0 20
0.5 0.0 0.0 20
0.5 0.5 0.5 1
How many points will be calculated and how?
I would highly appreciate any comments/explanations.

Thank you!
---
Best wishes,
Alex (she/her/hers),
phd candidate in chemical sciences
'I.. a universe of atoms, an atom in the universe' (Richard P. Feynman)
https://cpms.kaust.edu.sa/

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