Wannier90¶

Wannier90 is a computer package, written in Fortran90, for obtaining maximally-localised Wannier functions, using them to calculate bandstructures, Fermi surfaces, dielectric properties, sparse Hamiltonians and many things besides.

Use the module avail command to see what versions are available:

nersc$ module avail wannier90

Examples¶

See the example jobs page for additional examples and information about jobs.

#!/bin/bash
#SBATCH --constraint=haswell
#SBATCH --qos=regular
#SBATCH --time=01:00:00
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=32
#SBATCH --cpus-per-task=2

module load wannier90/3.0.0
srun --cpu-bind=cores wannier90.x

#!/bin/bash
#SBATCH --constraint=knl
#SBATCH --qos=regular
#SBATCH --time=01:00:00
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=68
#SBATCH --cpus-per-task=2

module load wannier90/3.0.0
srun --cpu-bind=cores wannier90.x

Support¶

A user guide, tutorial, documentation are available at the support page. Instructions to report bugs or errors are also provided there.