[Wien] Structure Optimization of Monoclinic cases

[Ghosh SUDDHASATTWA]

Dear Wien2k users, 

Does anybody have experience in the optimization of monoclinic structures
using Option [7]? 

I would like to get the variation of energy as a function of volume 

Since we have to vary 4 parameters, how can we get such a variation. In
other words, how can we find out the equilibrium energy lattice parameters. 

 

Thank you in advance 

Suddhasattwa 

 

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