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Mar 01, 2017 AppKiller 2.2 - Close all open apps at once. Download the latest versions of the best Mac apps at safe and trusted MacUpdate. 2.2 Prerequisites Up: 2 Installation Previous: 2 Installation Contents 2.1 Download Presently, QUANTUM ESPRESSO is distributed in source form; some precompiled executables (binary files) are provided for PWgui.Packages for the Debian Linux distribution are however made available by debichem developers. Stable releases of the QUANTUM ESPRESSO source package (current version is 6.1) can be.
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Next:2.2 Prerequisites Up:2 Installation Previous:2 InstallationApp Killer 2.1 Game
Contents
2.1 Download
Presently, QUANTUM ESPRESSO is distributed in source form; some precompiledexecutables (binary files) are provided for PWgui.Packages for the Debian Linux distribution are howevermade available by debichem developers.Stable releases of the QUANTUM ESPRESSO source package (current versionis 6.1) can be downloaded from the Download sectionof www.quantum-espresso.org.
Uncompress and unpack the base distribution using the command:(a hyphen before 'zxvf' is optional) where X.Y.Z stands for theversion number. If your version of tardoesn't recognize the 'z' flag:A directory espresso-X.Y.Z/ will be created.
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Additional packages that are not included in the base distributionwill be downloaded on demand at compile time, using make(see Sec.2.5).Note however that this will work only if the computer you areinstalling on is directly connected to the internet and haseither wget or curl installed and working.If you run into trouble, manually download each required packageinto subdirectory archive/, not unpacking oruncompressing it:command make will take care of this during installation.
Package GWL needs a manual download and installation:please follow the instructions given at gww.qe-forge.org.
The QUANTUM ESPRESSO distribution contains several directories. Some of them arecommon to all packages:
| Modules/ | fortran modules and utilities used by all programs |
| include/ | files *.h included by fortran and C source files |
| clib/ | external libraries written in C |
| FFTXlib/ | FFT libraries |
| LAXlib/ | Linear Algenra (parallel) libraries |
| install/ | installation scripts and utilities |
| pseudo/ | pseudopotential files used by examples |
| upftools/ | converters to unified pseudopotential format (UPF) |
| Doc/ | general documentation |
| archive/ | contains plug-ins in .tar.gz form |
while others are specific to a single package:
| PW/ | PWscf package |
| NEB/ | PWneb package |
| PP/ | PostProc package |
| PHonon/ | PHonon package |
| PWCOND/ | PWcond package |
| CPV/ | CP package |
| atomic/ | atomic package |
| GUI/ | PWGui package |
Finally, directory COUPLE/ contains code and documentationthat is useful to call QUANTUM ESPRESSO programs from external codes; directoryLR_Modules/ contains source files for modules that are commonto all linear-response codes.
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