[Pw_forum] how to run PWSCF using the graphical interface

Tone Kokalj tone.kokalj at ijs.si
Fri Feb 1 16:49:03 CET 2008


On Fri, 2008-02-01 at 15:57 +0100, Souraya Goumri-Said wrote:
> Dear  PWSCF user's,
> 
> I am new user of PWSCF and I have 2 questions :
> 
> 1- I am trying to run some examples under the graphical interface of 
> PWSCF, but I have the following error message "
> 
> can't read "::pwscf::settings(CHDENS)": no such element in array
> can't read "::pwscf::settings(CHDENS)": no such element in array

The PWgui is a bit outdated (new version is under preparation, though).

To trick the gui, define the ::pwscf::settings(CHDENS) variable in your
~/.pwgui/pwgui.settings (if you don't have this directory/file, create
one).

Then add this line into the file:

set ::pwscf::settings(CHDENS) echo

Otherwise, you may save the prepared file by pwgui, and run manually.


Regards, Tone



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