New answers tagged

4 votes

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 ...
Shaun Han's user avatar
  • 1,550
2 votes

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 ( 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 ...
Geoff Hutchison's user avatar

Top 50 recent answers are included