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- Tue Apr 09, 2013 6:39 am
- Forum: Ground state
- Topic: ask some more parameters control structural optimization
- Replies: 0
- Views: 1385
ask some more parameters control structural optimization
Hello everyone, I just find optcell, ionmov, dilatmx and tolmxf parameters to control (BFGS algorithm) structural optimization in abinit, I wonder if there are some other parameters such as trust_radius: Maximum ionic displacement in the structural relaxation bfgs_ndim: Number of old forces and disp...