what is this error about?

Total energy, geometry optimization, DFT+U, spin....

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mina
Posts: 110
Joined: Mon Sep 27, 2010 8:44 am

what is this error about?

Post by mina » Tue Oct 19, 2010 8:51 am

Hello dear abinit developers,
i have done a job it run but after some time it exits and i have this error in my log file:
scfeig:initial pc-residual square=8.9434E+02
scfeig:ERROR
this value is not good enough to allow the computation of the eignvectors of the scf.
i don't no what is this error about?what input file i have to change?
thankyou verry much.

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