MuST is an ab initio electronic structure calculation software package, with petascale and beyond computing capability, for the first principles study of quantum phenomena in disordered materials. It is capable of performing KKR, KKR-CPA, and LSMS calculations for ordered or disordered structures.
MuST is supported by the National Science Foundation.
- The MuST github site at https://github.com/mstsuite/MuST
To see what versions of MuST are available type
module avail MuST
To see what other modules are needed, what commands are available and how to get additional help type
module help MuST
To use MuST, include a command like this in your batch script or interactive session to load the MuST module:
module load MuST
Be sure you also load any other modules needed, as listed by the
module help MuST command.