Difference between revisions of "Wannier90"
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Moskalenko (talk | contribs) m (Text replacement - "#lowercase" to "lc") |
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intel/2017.1.132 openmpi/2.0.1 | intel/2017.1.132 openmpi/2.0.1 | ||
| − | * {{ | + | * {{lc:{{#var:app}}}} |
==System Variables== | ==System Variables== | ||
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_DIR - installation directory |
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_BIN - executable program directory |
| − | * HPC_{{ | + | * HPC_{{uc:{{#var:app}}}}_LIB - library directory |
{{#if: {{#var: exe}}|==How To Run== | {{#if: {{#var: exe}}|==How To Run== | ||
Latest revision as of 21:31, 6 December 2019
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.
Versions
wannier90/1.2
wannier90/2.0.0
wannier90/2.1.0
Required Modules
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