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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 7.2), as well as available binary packages, can be downloaded from the links listed in the ``Download'' section of

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

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

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
QEHeat/ QEHeat package
KCW/ KCW package

Finally, directory COUPLE/ contains code and documentation that is useful to call QUANTUM ESPRESSO programs from external codes.

next up previous contents
Next: 2.2 Prerequisites Up: 2 Installation Previous: 2 Installation   Contents