Difference between revisions of "Wannier90"
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| Line 26: | Line 26: | ||
* intel/2013 | * intel/2013 | ||
* openmpi | * openmpi | ||
| − | * {{lowercase{{#var:app}}}} | + | * {{#lowercase{{#var:app}}}} |
==System Variables== | ==System Variables== | ||
* HPC_{{#uppercase:{{#var:app}}}}_DIR - installation directory | * HPC_{{#uppercase:{{#var:app}}}}_DIR - installation directory | ||
Revision as of 21:35, 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
Parallel
- intel/2013
- openmpi
- {{#lowercasewannier90}}
System Variables
- HPC_{{#uppercase:wannier90}}_DIR - installation directory
- HPC_{{#uppercase:wannier90}}_BIN - executable program directory
- HPC_{{#uppercase:wannier90}}_LIB - library directory