The ABINIT Users Mailing List ( CLOSED )

["Rick Muller" <rmuller@sandia.gov>]

Thanks for all of the help people gave me with the calculation of the 
plasma frequency.

However, I'm still having a few problems with the screening calculation 
I'm trying to do prior to doing a GW calculation. The case I used had 
non-symmorphic symmetries, but I worked around this by simply setting 
nsym to 1, which turned off symmetry (I'm doing a small case so this 
isn't a hindrance).

But now I'm getting the error:

 setting up r- and G-rotation tables
 r-rotation tables set up
 **error surot 10: g-shell not closed:
         312         482           1           2   0.00000000000000D+000
   0.00000000000000D+000   6.00000000000000        0.00000000000000D+000
   0.00000000000000D+000  -6.00000000000000

Did some web searches in the forum archives but didn't find any 
reference to this. Can someone tell me what the g-shell is, and how I 
can make it closed?

Thanks in advance.

Rick

Rick Muller
rmuller@sandia.gov