I run the volume optimization with that script but there is two question?
1- Did the lattice obtain from equation of state, optimized with both
degree of freedoms (lattice parameter and atomic position) ?
After running the script optimize.job containing min_lapw, you can try
getting the EOS (equation of state) from eplot_lapw (or click
Execution->optimize(V,c/a) in the left menu and E vs. volume plot in
w2web) [1]. Additional information about eplot_lapw can be found in the
WIEN2k usersguide [2].
2-How can i find the optimized atomic position from the results?
The atomic positions can be obtained from the optimized case.struct [1].
[1] http://www.wien2k.at/reg_user/textbooks/Optimization-Notes.pdf
[2] http://www.wien2k.at/reg_user/textbooks/usersguide.pdf
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