Wannier90: tool to calculate maximally-localized Wannier functions
Contents
Overview of package
Package: | Wannier90 |
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Description: | tool to calculate maximally-localized Wannier functions |
For more information: | http://wannier.org |
Categories: | |
License: | OpenSource (GPLv2) |
General usage information
Wannier90 is a tool for calculating maximally-localised Wannier functions (MLWFs).
The commands wannier90.x, w90pov, w90vdw.x, w90chk2chk.x and postw90.x have been added to your PATH.
In case you need to link against this library in your code, the following environmental variables have been defined:
- \$WANNIER90_ROOT has been set to the root of the wannier90 installation
- \$WANNIER90_LIBDIR points to the directory containing the libraries
- \$WANNIER90_INCDIR points to the directory containing the header files
You will probably wish to use these by adding the following flags to your compilation command (e.g. to CFLAGS in your Makefile):
- -I\$WANNIER90_INCDIR
- -L\$WANNIER90_LIBDIR -Wl,-rpath,\$WANNIER90_LIBDIR
Available versions of the package Wannier90, by cluster
This section lists the available versions of the package Wannier90on the different clusters.
Available versions of Wannier90 on the Deepthought2 cluster (RHEL8)
Version | Module tags | CPU optimized for | GPU ready? |
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2.1.0 | wannier90/2.1.0 | ivybridge | Y |