Getting LSMS

The code can be obtained from the github repo (https://github.com/mstsuite/lsms)

git clone https://github.com/mstsuite/lsms.git

LSMS has the following dependencies

  1. Fortran and C++

  2. Cmake

  3. HDF5

  4. BLAS and LAPACK

  5. MPI

  6. (Optional) CUDA/ROCm for GPU acceleration

Lua and LibXC are included - if you would like to use a pre-existing lua or LibXC installation it can be linked during the build process