LM Suite v7.11

LM Suite offers a range of first principles programs that can be used to model different materials and nanoscale structures. The common basis of these codes is the use of a linear muffin tin orbital basis (LMTO) set to describe the electronic structure of the different materials. These orbitals are expanded in terms of the angular momentum index around each atom and can be considered crystal extensions of atomic orbitals.Applications include modeling electronic structure, magnetic properties of materials, electronic transport, impurity effects in solids, and optical properties of materials.

Accessing the software

There are 2 versions of this module available, one which is serial and one which is MPI-enabled. Load the module that suits your needs:

$ module load apps/lmsuite/v7.11-serial
$ module load apps/lmsuite/v7.11-mpi

An example command to include in your job script:

lm <input_ctrl_file>

Accessing Previous Versions

Wherever possible, previous versions of this application will be retained for continuity, especially for research projects that require a consistent version of the software throughout the project. Such versions, however, may be unsupported by IT Services or the applications vendor, and may be withdrawn at short or no notice if they can no longer run on the cluster - for example, essential operating system upgrades may be incompatible with old versions.

At present there are no previous versions of this application on the BlueBEAR service.

Known Problems & Limitations


Other Information

The Support Level for this application is An.

Visit the LMSuite website for more information regarding this application.

Last modified: 1 December 2017