[QE-users] QE calculation stops abruptly at 'CG style diagonalization'

[Shivesh Sivakumar]

Hello all,

I am trying to run an scf calculation for calculating charge density for my
system (~450 carbon atoms, a massive graphene sheet). But the calculation
always stops at the same point 'CG style diagonalization..' or 'starting
wfcs are randomized' if I used david style diagonalization.I have tried
tweaking parameters but to no avail. I suspect it is not a memory problem
since I have tried running the calculation on high memory cluster. Any help
would be much appreciated.

Best,
Shivesh Sivakumar
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