[Octopus-users] Fluorine: missing species

Bernardo Ochoa bo222 at cam.ac.uk
Fri Apr 23 13:07:14 WEST 2010


Hi,
I'm trying to help a friend who uses octopus, even though I have no 
experience with the software myself. She's trying to use it on a system 
with fluorine in it, which, from what I understand, is not normally 
included in the default distribution. She had help from someone else 
previously to try to include it, but I don't know if they never 
succeeded or something broke since then. In any case, when running 
octopus there is an error message about F being a "missing species". We 
thought it was due to the lack of a pseudo-potential file F.psf in the 
directory where all the rest are, but even after copying it there the 
problem persists. Can anyone help? Thanks a lot.

~Bernardo


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