QUANTUM ESPRESSO is distributed in source form, but selected binary packages and virtual machines are also available. Stable and development releases of the QUANTUM ESPRESSO source package (current version is 7.2), as well as available binary packages, can be downloaded from the links listed in the ``Download'' section of www.quantum-espresso.org.
The Quantum Mobile virtual machine for Windows/Mac/Linux/Solaris provides a complete Ubuntu Linux environment, containing QUANTUM ESPRESSO and much more. Link and description in https://www.materialscloud.org/work/quantum-mobile.
For source compilation, uncompress and unpack compressed archives in the typical .tar.gz format using the command:
tar zxvf qe-X.Y.Z.tar.gz
(a hyphen before "zxvf" is optional) where X.Y.Z stands for the
version number.
A few additional packages that are not included in the base distribution will be downloaded on demand at compile time, using either make or CMake (see Sec.2.7). Note however that this will work only if the computer you are installing on is directly connected to the internet and has either wget or curl installed and working. If you run into trouble, manually download each required package into subdirectory archive/, not unpacking or uncompressing it: command make will take care of this during installation.
The QUANTUM ESPRESSO distribution contains several directories. Some of them are common to all packages:
| Modules/ | Fortran modules and utilities used by all programs |
| upflib/ | pseudopotential-related code, plus conversion tools |
| include/ | files *.h included by fortran and C source files |
| FFTXlib/ | FFT libraries |
| LAXlib/ | Linear Algebra (parallel) libraries |
| KS_Solvers/ | Iterative diagonalization routines |
| UtilXlib/ | Miscellaneous timing, error handling, MPI utilites |
| XClib/ | Exchange-correlation functionals (excepted van der Waals) |
| MBD/ | Routines for many-body dispersions |
| LR_Modules/ | Fortran modules and utilities used by linear-response codes |
| install/ | installation scripts and utilities |
| pseudo/ | pseudopotential files used by examples |
| Doc/ | general documentation |
| archive/ | external libraries in .tar.gz form |
| external/ | external libraries downloaded by CMake |
| test-suite/ | automated tests |
| PW/ | PWscf package |
| EPW/ | EPW package |
| NEB/ | PWneb package |
| PP/ | PostProc package |
| PHonon/ | PHonon package |
| PWCOND/ | PWcond package |
| CPV/ | CP package |
| atomic/ | atomic package |
| GUI/ | PWGui package |
| HP/ | HP package |
| QEHeat/ | QEHeat package |
| KCW/ | KCW package |
Finally, directory COUPLE/ contains code and documentation that is useful to call QUANTUM ESPRESSO programs from external codes.