[Pw_forum] Energy calculation for single carbon atom

[Tram Bui]

Hi Everyone,
     I'm trying to run the total energy calculation for a simple cubic of
carbon, in which i'm using the lattice constant of 40 Bohrs (a.u) and the E
cut off of 30 Ryd.  this should be a very simple calculation. when I used
K-points of 10x10x10, the calculation worked fine. However, I then wanna try
with the K point of {gamma} and it kept giving me the error of " 1
eigensvalue is not converged". So my question is would you look at the input
file and the (not-finished) out put file and let me know what might have
been my mistakes?

Thank you and have a great week,



-- 
Tram Bui

M.S. Materials Science & Engineering
trambui at u.boisestate.edu
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