Wannier90

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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.

Versions

       wannier90/1.2
       wannier90/2.0.0
       wannier90/2.1.0

Required Modules

modules documentation

Parallel

intel/2013 or intel/2017
openmpi: available versions

     intel/2013.sp1.3.174 openmpi/1.6.5
     intel/2017.1.132  openmpi/1.10.2
     intel/2017.1.132  openmpi/2.0.1

wannier90

System Variables

HPC_WANNIER90_DIR - installation directory
HPC_WANNIER90_BIN - executable program directory
HPC_WANNIER90_LIB - library directory