Just a small technical addition:
The noise in E vs V plot obtained with mini is largely determined by the “tolf”
value in *.inM file. The default value of 2 mRy/Bohr can be too large for the
purpose of accurate determination of the lattice constant. Reducing tolf to 0.5
mRy/Bohr with -fc 0.2
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
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