Difference between revisions of "Wannier90"
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| − | + | 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. | |
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Revision as of 21:33, 4 March 2014
Description
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
Serial
- wannier90
System Variables
- HPC_{{#uppercase:wannier90}}_DIR - installation directory