[Wien] structure-optimization

[Gavin Abo]

Read section "5.3 Structure optimization" starting on page 69 in the 
WIEN2k 14.2 usersguide [ 
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ].  If none of 
the options does what you want, then you have do each structure change 
manually or write your own script(s) to automate your structure 
optimization process.

On 8/5/2015 1:02 PM, Seyyed Amir Abbas Emami wrote:
> ​ 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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