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2.1 Download

QUANTUM ESPRESSO is distributed in source form, but selected binary packages are also available. Stable and development releases of the QUANTUM ESPRESSO source package (current version is 6.4.1), as well as available binary packages, can be downloaded from the links listed in the ``Download'' section of www.quantum-espresso.org.

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.

Additional packages that are not included in the base distribution will be downloaded on demand at compile time, using make (see Sec.2.5). 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
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
upftools/ converters to unified pseudopotential format (UPF)
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 up previous contents
Next: 2.2 Prerequisites Up: 2 Installation Previous: 2 Installation   Contents
Paolo Giannozzi 2019-04-18