[Wien] structure-optimization

[Seyyed Amir Abbas Emami]

​thank you very much

But actually i was wondering can i use this script in volume optimization (optimize.job) to satisfy both force and charge convergence to obtain both optimized lattice parameters and atomic position of one with free internal parameters:

min -j -I "runsp_lapw -I -fc 1.0 -i 400 -in1new 5 -cc 0.0001 -p"

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