[QE-users] Bands with ESM

[Aleksandra Oranskaia]

As was found out by Prof. Minoru, the problem was in the diagonalization
algorithm: 'cg' (instead of 'david') solved the convergence.

-- 
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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