**Environ-0.1** was released in March 2015 and is the first official release of Environ.

It is interfaced with the **Quantum-ESPRESSO** package and compatible ONLY with versions QE-5.1, QE-5.1.1, and QE-5.1.2.

Here is a list of the supported functionalities of Environ-0.1:

- Continuum dielectric solvation model, defined self-consistently on the electronic density of the system.
- External pressure model, defined in terms of the quantum-volume of the system.
- External surface tension model, defined in terms of the quantum-surface of the system.
- Point-counter-charge correction schemes to remove periodic boundary conditions artefacts in isolated (0D) and slab (2D) systems.
- Modifications of Martyna-Tuckermann and Makov-Payne PBCs correction schemes to account for the presence of a continuum dielectric embedding.
- External fixed charge densities of arbitrary shape and dimensionality (point-like, linear and planar), still under testing.

The above functionalities are coupled with the following types of calculations:

- Possibility to perform single point calculations, geometry optimizations, and Born-Oppenheimer molecular dynamics simulations, through the
**PW code**of the Quantum-ESPRESSO package. - Possibility to perform transition state calculations via the nudged elastic band method, through the
**NEB code**of the Quantum-ESPRESSO package. - Possibility to perform the calculation of optical spectra via time-dependent density functional perturbation theory, through the
**TDDFpT code**(only for the continuum dielectric contribution).

Here you can find the list of available keywords with a short explanation on their use.