New answers tagged avogadro
4
votes
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How to make Pd(111) supercell (√3×√3)R30 via VESTA
This would be a pain to do in GUIs like VESTA and Avogadro. In ASE, this can be done just in one line by ase.build.fcc111_root:
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2
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How to make the input generator plugin work in Avogadro 2 on GNU/Linux?
I had the same issue on Ubuntu 20.04. I solved it by copying input generators scripts (https://github.com/OpenChemistry/avogenerators) to /usr/lib/x86_64-linux-gnu/avogadro2/scripts/commands.
4
votes
Can a tool “Set space group” be useful?
Determining space group symmetry is really useful when going between a CIF (which typically only includes the symmetry-unique atoms) and a calculation (which typically includes all atoms in the unit ...
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