Hello respected Professors and dear Dr.s, sorry in advance because I am new to
using Quantum espresso and my question can be of a basic level for you. I am
running a 'relax' calculation while using PBEpaw pseudopotentials. After some
time the SCF calculations keep running but bfg steps are stuck at the same
number 'such as 16'. Also, the value of forces calculated starts oscillating
between the same values for coming cycles.
I will be highly obliged if anyone can please guide me, about how to resolve
this issue and converge the bfg cycle.Thanks in anticipation
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