Javeed Ahmad Dar

SCEL8_8_1_1_0_2_7/24 0.5 -0.463914 -0.392215 True 40.0 71.69897 SCEL8_4_2_1_1_0_1/32 0.5 -0.464785 -0.424896 True 24.0 39.88902 SCEL8_8_1_1_0_3_6/12 0.5 -0.467476 -0.407082 True 40.0 60.39397 SCEL8_2_4_1_1_0_0/36 0.5 -0.468075 -0.430692 True 20.0 37.38247 SCEL8_8_1_1_0_5_1/54 0.5...

@xivh Could you please guide me here

> > How to choose the chemical potential range to include all the compositions? is it necessary it should include all my compositions exactly? > > Are you asking about...

> > > How to choose the chemical potential range to include all the compositions? is it necessary it should include all my compositions exactly? > > > > >...

Yeah i got that, can i choose the maximum cluster size as the maximum sphere that can be fixed in my supercell e.g., i have a supercell with dimensions of...

Also, is it ok to get all the quadruplets of almost equal size (radii) with different ECI's? I may get quadruplets of different size at higher value of cutoff but...

how should i keep them there, i don't have the DFT data for them, those were created during the CASM import from my calculated configurations i think.

i think this issue is same as discussed here. https://github.com/prisms-center/CASMcode/issues/293#issue-1766399531

Is matching enough? having a wrong atomic distance as in the suggested prim file can lead to wrong CE fit.

the fix contains files with the extension "cc" , but the original file are with the extension of "hh".