Since version 21 there is a new tool available:
optimize_abc_lapw(for its usage see uG or -h switch)
This is the recommended way to optimize an orthorhombic structure.
PS: Otherwise, since the volume optimization is the most important
thing, I'd do first a volume optimization and
Dear Wien2k Users,
I am performing volume optimization of orthorhombic structure. There are three
steps to perform optimization: 1. b/a optimization 2. c/a optimization 3.
volume optimization.
I performed b/a optimization keeping c/a and volume constant. Now what is the
next steps for c/a
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