[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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