[Wien] Volume optimisation

[Peter Blaha]

I'd recommend to use   optimize_abc (see UG), and to run this script for 
different angles gamma.


Am 20.05.2023 um 07:09 schrieb Neetu Malik:
> Dear Team, Please guide me how to optimise volume for monoclinic 
> structure. I have selected option 7 in xoptimise. Please guide how 
> many structures should i specify.
> Thankyou
>
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: peter.blaha at tuwien.ac.at
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