Dear experts and users, I have run the the volume optimization for the orthorhombic structure with the option '1) vary volume with constant a:b:c ratio', also edited the optimize.job by using 'dstart -p' and 'min -I -j "run_lapw -I -fc 1.0 -i 40 -p"'. I have observed that the lattice parameters (from the struct file) after the volume optimization do not match with the lattice parameters corresponding to any of the optimized volumes obtained from the equation of states. If the struct files are the updated one after the volume optimization, why are the values different?
Thank you!! -- With regards Anupriya Nyayban Ph.D. Scholar Department of Physics NIT Silchar
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