Difference between revisions of "Wannier90"

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* {{#lowercase:{{#var:app}}}}
 
* {{#lowercase:{{#var:app}}}}
 
==System Variables==
 
==System Variables==
* HPC_{{#uppercase:{{#var:app}}}}_DIR - installation directory
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* HPC_{{uc:{{#var:app}}}}_DIR - installation directory
* HPC_{{#uppercase:{{#var:app}}}}_BIN - executable program directory
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* HPC_{{uc:{{#var:app}}}}_BIN - executable program directory
* HPC_{{#uppercase:{{#var:app}}}}_LIB - library directory
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* HPC_{{uc:{{#var:app}}}}_LIB - library directory
  
 
{{#if: {{#var: exe}}|==How To Run==
 
{{#if: {{#var: exe}}|==How To Run==

Revision as of 21:29, 6 December 2019

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
  • {{#lowercase:wannier90}}

System Variables

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