xivh

I am having the same problem. server glx version string: 1.4 client glx version string: 1.4 GLX version: 1.4 Max core profile version: 3.3 Max compat profile version: 3.1 Max...

You can filter your enumeration output by properties (see `casm query --help properties` and `casm query --help operators`). In this case, you can use `comp_n`, which is the number of...

Can you upload your prim? You should set `comp_n` as the number of species per primitive cell and not the number per unit cell, but I am not sure why...

You need to create and select a composition axis with `casm composition --calc` and `casm composition --select`. As you mentioned, it is pretty slow to enumerate all configurations. But if...

The composition axes that you set with `casm composition` are the parametric composition axes. The `comp(a)` and `comp(b)` are not the A and B atoms, they are just indices for...

The sublats tag restricts the enumeration to some sites and leaves the rest fixed. I just wanted to show that by enumerating only on those sites you already have a...

You have to run the DFT calculations first. You can use `casm-calc --setup` to write all the input files.

You will need to create the files described in `casm format --vasp`. It mentions `relax.json`, but you may need to call that file `calc.json`. I recommend running the VASP calculations...

That is why we usually start with the primitive cell and enumerate smaller cells instead of a large supercell. You need some DFT energies to train the cluster expansion. Also,...

It is working with 8 gpus in config-e.