Lei

It is because the Direct is followed with \n as "coordinate_mode: Direct\n", which causes the error.

I think the properties.calc.json is generated automatically by the casm update.

And how to print out clex(formation_energy)-formation_energy by casm query? What is the correct format?

Wonderful! Thanks for point out the paper. Tried multiple ways of printing those entries, but failed. Anyway this is less urgent. casm query -k comp 'sub(clex(formation_energy),formation_energy)' -c CALCULATED Print: -...

I cannot do either casm select or query, unlike comp(a) and other things, there seems no total_cost and deformation keys in your casm: casm select --set 'lt(total_cost,0.02)' -o all_deformation_lt_0p02 --...

I installed from conda. I should try what you suggested. Thanks!

In the INSTALL.md, the instruction is confusing. Is it step-by-step or in-parallel. In another word, is the below command all we need to install from source? ``` # Location of...

I tried, but building from source gives me so many errors on the source code.

Any comments on this? I tried the incremental_conditions, but the MC seems finished and ended at the initial_conditions. May I know why it does not continue ramping T down to...

The tutorial is about local cluster basis settings. How about its interface with VASP? How to determine the migration path and interface the migration energies to the local cluster expansion?