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Dear CASM developers, When I was trying using casm-report to generate the properties.calc.json files, it will stop at the structure that failed. This is inefficient when I have a sparse...

sjtuzhanglei

I started my enumeration with this [ [prim.json](https://github.com/user-attachments/files/16248360/prim.json) ](url) , with 9 types of atoms [C, Cl, F, H, Li, N, O, P, S,], except F,N I created vacancy on...

WalterWhite1611

Regarding MC simulations with CASM

4

i have carried out the MC simulations at temperature of 5 K, i am getting the results.json file as: ``` { "" : [ 0.371831216496, 0.500000000000, 0.500000000000, 0.500000000000, 0.575350322421, 0.593002909594,...

darjaved

Meeting errors when i tried to set up the VASP calculation

1

**"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...

kaijiz

Regarding Energy trends in canonical MC

2

Below is the output of the MC at different temperatures starting from 1200 K til 0 K. Is it the formation enrgy per unit cell? My clex formation energy for...

darjaved