[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
I do not see any message indicating "Final coordinates" as we see in a well
K. C. Bhamu
National Postdoctoral Fellow,
Mob. No. +91-9975238952
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