[QE-users] dE0s is positive

Dr. K. C. Bhamu kcbhamu85 at gmail.com
Wed May 2 08:19:09 CEST 2018

Dear QW Users,

The vc-relax for my system was stopped after default nstep.

I re-submitted it with restart mode and I got a warning message  that is
already described here:


According to reply from Paolo, it is a numerical noise on forces and my
structure has relaxed.

Could you please tell me how to collect relaxed parameters from the
vc-relax.out file?
I do not see any message indicating "Final coordinates" as we see in a well
conversed-relax calculation.

Kind regards

K. C. Bhamu
National Postdoctoral Fellow,
Mob. No.  +91-9975238952
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