Meeting errors when i tried to set up the VASP calculation

prisms-center / CASMcode

First-principles statistical mechanical software for the study of multi-component crystalline solids

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Open kaijiz opened 4 months ago

kaijiz commented 4 months ago

"packages/casm/scripts/casm_calc.py", line 109, in main software = global_settings["software"] KeyError: 'software'"

Hi, i met this error when I use "casm-calc --setup -c my_selection" to set up my VASP calculation, does anyone know how to fix it. Really thank you.

xivh commented 3 months ago

How did you install CASM and CASMpython?