[QE-users] new qe superfeatures

Aleksandra Oranskaia aleksandra.oranskaia at kaust.edu.sa
Wed Jan 19 03:49:37 CET 2022


Further comment on a bug (looks like not very bad one):

Ok, numbering of k-points differs from reference (where bands dispersion
happens between 507-578): the range has to be 9-80 for plotband.
Unfortunately, bands.x fails "two consecutive same k, exiting" without
writing plottable file.

Hope to hear from you soon and thanks/sorry for the attention.

-- 
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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