The ABINIT Users Mailing List ( CLOSED )

[PGanesh <pganesh@ciw.edu>]

hi All,

I am using v5.4.4 (yet to get the latest code) and performing phonon 
calculations.  My system is clearly an insulator with Fm-3m symmetry, 
but when I do the electric field perturbation at gamma using shiftk 0.0 
0.0 0.0, then I get the folllowing error repeatedly and the program dies 
with a segmentation fault error:

-P-0000  cgwf3: problem of minimisation (likely metallic), set resid to -2
-P-0000  cgwf3: converged with theta=      0.0000E+00

The error is:

forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred

I don't understand why I am getting the system to be metallic or this 
error?  I use nband=number of valence bands.  Any help will be appreciated.

Thanks,
Ganesh