Hello all,
I am optimizing Bi2Te3 Slab with abinit, 5 atoms are free to adjust their position while the rest are fixed. The process is really slow. I choose the parameter like this:
ionmov 2
getwfk -1
toldff 5d-7
tolmxf 5d-5
Anyone has ideal about how to accelerate convergence by proper input keyword setting? Thanks.
Best,
Zjuer
optimization
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