Hi,
I am trying to compute the dos and pdos, but am getting the following error
when running either dos.x or projwfc.x:
Error in routine offset_atom_wfc (1):
Hubbard manifold with zero occupations is not allowed
SCF runs correctly and completes fine.
I am using v7.1. I tried applying patches 1946, 1948, and 1951 from the
development branch, but the error still occurs.
Sample input to reproduce the error is located here:
https://drive.google.com/drive/folders/1hfVNjDqyk7uudmSdFoGMcABlypG7pP1T?usp=sharing
I am not sure if this is a bug or user error on my part.
Thank you for your help!
Daniel
Daniel Straus
Postdoctoral Research Associate
Department of Chemistry
Princeton University
Frick Laboratory A09
Princeton, NJ 08544
[email protected]<mailto:[email protected]>
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