Environ-1.0 is the latest release of Environ. It is interfaced with
the Quantum-ESPRESSO package and compatible with
versions QE-6.1.X and QE-6.2.X. Compatibility with previous versions of
Quantum-ESPRESSO is only guaranteed with Environ-0.2.
From this release, Environ is also available as a public GitLab repository:
tag v1.0 corresponds to the version of the module compatible with QE-6.2.X.
The new features of Environ-1.0 are the following:
needed in dielectric embedding environments.
The previous functionalities of Environ, available to all the supported distributions of Quantum-ESPRESSO, are the following:
The above functionalities are coupled with the following types of calculations:
All the above simulations are compatible with the main features of Quantum-ESPRESSO, namely pseudo-potentials-based plane-wave periodic-boundary-conditions simulations at the density functional theory level, with k-point integration. In particular the following features are all compatible with Environ (a more comprehensive list of the capabilities of Quantum-ESPRESSO can be found in the project documentation):
The features which are still not available and are under development are: