JinSakai

One last thing, as I have to deal with conventional supercell, is there any command line to convert my niggli supercell to conventional supercell?

The reason is, I have to deal with non stoichiometric compound. I want some suggestion from you regarding this, suppose the conventional unit cell cif file looks like this way,...

Ok, I got your point. I started from conventional cell POSCAR file. Now, I abled to print new .json file , but facing this issue, ccasm init --prim POSCAR --write-prim...

> You can export from VESTA to a POSCAR, use `casm init --prim POSCAR --write-prim`, and then add vacancies on those sites like in the first example [here](https://prisms-center.github.io/CASMcode_docs/pages/tutorials/Project_Initialization_bash/#occupation_clex). For the...

> It should be `[ "B", "Va" ]` and then you control the occupancy during enumeration or using `casm select`. Ok that I corrected earlier. Kindly say during enumeration how...

> Is the settings file from #350 working? No sir. Please check my last reply on #350.

> Everything should work if you do not use the Niggli reduced cell, but you may get unintuitive transformation matrices. For example, the transformation matrix to your primitive cell will...