Hi Everyone,<br> 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?<br>
<br>Thank you and have a great week,<br><font color="#888888"><br clear="all"></font><br clear="all"><br>-- <br>Tram Bui<br><br>M.S. Materials Science & Engineering<br><a href="mailto:trambui@u.boisestate.edu" target="_blank">trambui@u.boisestate.edu</a><br>
<br>