Wannier90

Description

wannier90 website  

Wannier90 computes Maximally-Localised Wannier Functions (MLWF) following the method of Marzari and Vanderbilt (MV). For entangled energy bands, the method of Souza, Marzari and Vanderbilt (SMV) is used.

Required Modules

modules documentation

Parallel

• intel/2013
• openmpi
• {{#lowercase:wannier90}}

System Variables

• HPC_{{#uppercase:wannier90}}_DIR - installation directory
• HPC_{{#uppercase:wannier90}}_BIN - executable program directory
• HPC_{{#uppercase:wannier90}}_LIB - library directory