Armand Budzianowski

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Questions related from Armand Budzianowski

Is is correct the I-cell in monoclinic system (monoclinic space group Ixxx) these days in accordance with IUCr conventions?

After searching and reading the literature including Crystallographic Tables, I am a bit confused on this topic and would appreciate your opinions and tips. How's that for describing structure in...

19 January 2023 3,826 4 View

How to prepare file for the partial optimization of the molecule in abinit?

Is it possible to make partial optimization of a molecule in Abinit? I would like to fix some selected angles, torsion angles, or distances between atoms in molecule. Maybe you know some input...

01 January 1970 8,080 1 View