[Pw_forum] Projwfc and NaN's

[Lex Kemper]

Hey everyone,

I'm using projwfc to look at the contribution of certain orbitals to the 
band structure. I am running into a strange result though for one of my 
systems -- for some kpoints, the |psi|^2 is NaN for all energies. This 
is of course not correct, unless all the projections are 0 identically 
which I highly doubt is right (the kpoints just next to the one that 
gives NaN look fine).

Any ideas where this originates?

Thanks,

Lex Kemper
Department of Physics
University of Florida

P.S. My apologies if this ends up on the listserv twice, I believe I 
sent it from the wrong e-mail address before.