[Pw_forum] nband for band structure calculations
Максим Арсентьев
ars21031960 at gmail.com
Fri Sep 1 12:43:57 CEST 2017
Dear Paolo,
Thank you, I know how to add it, i do no know how to choose it
as i see in materials project they take 44
https://materialsproject.org/tasks/mp-1984#mp-923440
but i suppose the number depends on number of valent electrons in
pseudopotential
Bests,
Maxim Arsent'ev, Ph.D. (Chemistry)
Laboratory of research of nanostructures
Institute of Silicate Chemistry of RAS
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