MuST

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.

Documentation

• The MuST github site at https://github.com/mstsuite/MuST

Usage

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.