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2.1 Download

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 6.7MaX), 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 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. If your version of `tar` doesn't recognize the "z" flag:

         gunzip -c qe-X.Y.Z.tar.gz | tar xvf -

A directory `qe-X.Y.Z/` will be created.

A few additional packages that are not included in the base distribution will be downloaded on demand at compile time, using `make` (see Sec.2.6). 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
`clib/` | libraries and utilities written in C
`FFTXlib/` | FFT libraries
`LAXlib/` | Linear Algebra (parallel) libraries
`KS_Solvers/` | Iterative diagonalization routines
`UtilXlib/` | Miscellaneous timing, error handling, MPI utilites
`install/` | installation scripts and utilities
`pseudo`/ | pseudopotential files used by examples
`Doc/` | general documentation
`archive/` | external libraries in .tar.gz form
`test-suite/` | automated tests

while others are specific to a single package:

`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

Finally, directory `COUPLE/` contains code and documentation that is useful to call QUANTUM ESPRESSO programs from external codes; directory `LR_Modules/` contains source files for modules that are common to all linear-response codes.

Next: 2.2 Prerequisites Up: 2 Installation Previous: 2 Installation Contents