[Pw_forum] scf_must_converge

[florence liu]

Dear all,
i am trying to do some optimizations with PWSCF v.5.0 and I have the
following problem.
I want to let a optimization to continue, even if the scf has not fully
converged. As I have under stood the QE documentation, one need to set the
tag scf_must converge, as i have done in my input file:

(...)
 &electrons
 electron_maxstep=100,
 conv_thr=7.35D-8,
 scf_must_converge=.false.
/
(...)
however, the optimization calcualtion still terminated with the message:
"convergence NOT achieved after 100 iterations: stopping" after one scf
cycle, in whihch the convergence critereriva have not been reached.

Can anybody tell me, whether I am missing some settings to let the
optimization not terminate, when a scf cycle has not converged? or does
anybody see which mistake i have done?

best wishes,

florence
TU Munich
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