                       =========
                       WANNIER90
                       =========

 The Maximally-Localised Generalised Wannier Functions Code

This directory containes the subroutines for post-processing 
a pwscf calculation for use with Wannier90.

In general, the releases of quantum-espresso and those of 
Wannier90 are out of sync. Therefore, we provide here a copy 
of the post-processing routine that is compatible with this
release of Wannier90 and a particular release of quantum-espresso.

====
v6.x
====
Please replace the file to the exact version specified in the folder
name.

Later versions already include the changes as we try to contribute these
immediately to the Quantum ESPRESSO repository.

For instance, the file in folder v6.4 should be used to replace the file
in version 6.4 of Quantum ESPRESSO, but the changes are already included
in v6.5 and following.

====
v6.0
====

************************************************************************
** NOTE! this works only for Quantum ESPRESSO                          *
** version 6.0                                                         *
** Later versions v6.x.x should have the most up-to-date version       *
** of pw2wannier90.f90 already included in the Quantum ESPRESSO        *
** distribution.                                                       *
************************************************************************

This file also includes the new features added in Wannier90 2.1
related to symmetry-adapted Wannier functions.

Within the sub-directory v6.0 you will find the file pw2wannier90.f90

Copy pw2wannier90.f90 to the PP/src directory of the quantum ESPRESSO
distribution, replacing the file of the same name that is already there.
Then you should compile pw2wannier90.x as normal.

======
v5.1.x
======
The Quantum ESPRESSO releases of version 5.1.x already contain
the most up-to-date version of pw2wannier90.x. No special 
action is needed.

======
v5.0.x
======

************************************************************************
** NOTE! this works only for Quantum ESPRESSO                          *
** versions 5.0.0, 5.0.1, 5.0.2 and 5.0.3.                             *
** From version 5.1.0, the most up-to-date version of pw2wannier90.f90 *
** is already included in the Quantum ESPRESSO distribution.           *
************************************************************************

This file also includes the new features required by some
modules added in Wannier90 2.0, like spinor-projections,
and the evaluation of the matrix elements needed for the
calculation of spin and orbital magnetization.

Within the sub-directory v5.0 you will find the file pw2wannier90.f90

Copy pw2wannier90.f90 to the PP/src directory of the quantum ESPRESSO
distribution, replacing the file of the same name that is already there.
Then you should compile pw2wannier90.x as normal.



===================
versions before 5.0
===================

Within, e.g., the sub-directory v3.2.3 you will find two files:

1. pw2wannier90.f90 should be copied to the "PP" directory
of v3.2.3 of the quantum-espresso distribution, replacing the 
file of the same name that is already there,

2. wannier.f90 that should be copied to the "Modules" directory
of v3.2.3 of the quantum-espresso distribution, replacing the 
file of the same name that is already there. (note after v5.0
this wannier.f90 is not needed or present)

Then you should compile pw2wannier90.x as normal.
