Can MuST handle structures more than cubic about must HOT 2 CLOSED

Hi,
The MuST code can be applied to other structures than the cubic ones. The potential generated by newss only serves as a starting potential and is expected to change as the SCF iteration goes. It does not matter which structure (FCC or BCC) you use to generate the starting potential. Of course, a better starting potential will allow for faster or more stable convergence. In this regard, what is more important is the lattice constant you use to generate the potential. The general rule is: You want to use a lattice constant that corresponds to an atomic volume which is very close to the atomic volume of the atom in your targeted system.
Best!

from must.

@wangy2014 Dear Prof.Wang,
Thank you very much for your kind reply.

from must.