[Q-e-developers] Input GUI

[Paolo Giannozzi]

Hi Ben (CC: to q-e-developers at qe-forge.org) 

unfortunately the web-based GUI for QE has never materialized.
There is a GUI, called PWgui, that can be downloaded together
with QE, or from here:  http://www-k3.ijs.si/kokalj/pwgui/ .
PWgui is an input file builder for various QE executables. 
It isn't a molecular builder, it doesn't run jobs, it doesn't
analyze output, it cannot be used via the web, though.

Another project that may be actually related with yours is the
interface with ASE: https://wiki.fysik.dtu.dk/ase/ . There is 
a working interface, but I have to inquire about the exact
status of this project and whether the interface has already
been loaded and where.

So while I appreciate your efforts and your willingness to
make your work available to the QE community, I think it is 
prudent, before opening a new project, to verify what is 
already available and working, or might be working soon.

Best regards

Paolo

> I was reading the QE paper and noticed that there was a web based GUI.  
> I've been writing some php pages and one or two fortran programs to 
> create my input files, send them to our cluster by ssh, monitor progress 
> and pick up and analyse the output files.  At the moment I've got it to 
> prepare the input files and calculate bulk modulus and elastic 
> constants.  It also makes some plots along the way.  It's not in a very 
> user friendly format at the moment, but if it would be of interest I 
> could try to commit some time to it, if anyone would find it useful?
> 
> All the best,
> 
> Ben Palmer

-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222