[Pw_forum] question about correctness

薛诗川 nudt.xueshichuan at gmail.com
Tue Apr 8 15:26:18 CEST 2014

Sorry to disturb but i have another question:
when testing AUSURF112 using QE_CPU 5.0.2,
it stopped less than 10 min.
because in input file : electron_maxstep = 2
so after 2 scf iter, it stopped.
but checking the output i found that it says after 2 iter ,convergence NOT
then i am wondering since convergence not achieved, how can i guarantee its

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