[Wien] structure-optimization
Seyyed Amir Abbas Emami
a.a.emami at birjand.ac.ir
Wed Aug 5 21:02:03 CEST 2015
dear users
I am trying to optimize structural properties of an alloy which is doped. This compound has 4 free parameters ( one lattice parameter + three internal free parameter). Now how can i find best optimize state for these parameter. Is there any method to simultaneously optimized energy in terms of these free parameters.
thank you in advance
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