[Pw_forum] Can't run pwgui and missing chden.x
Giovanni Cantele
Giovanni.Cantele at na.infn.it
Thu Apr 27 14:53:06 CEST 2006
>
>
> Please define the PWGUI environment variable !!!
> PWGUI should point to the PWgui package root directory.
You should define the PWGUI environment variable!!
Depending on which shell you are using:
setenv PWGUI something/espresso-3.0/PWgui-3.0
export PWGUI=something/espresso-3.0/PWgui-3.0
>
> Also, when I looked at the packages that should be available after
> doing the make all, chdens.x is not in my espresso-3.0/bin folder.
>
As far as I know, chdens.x has been merged into pp.x. From Changelog in
the CVS version:
2005-09-13 22:30 giannozz
* Doc/INPUT_CHDENS, Doc/INPUT_PP, PP/Makefile, PP/chdens.f90,
PP/postproc.f90, PW/clean_pw.f90, examples/example05/README,
examples/example05/run_example, examples/example16/README,
examples/example16/run_example:
chdens.x merged into pp.x - all functionalities are still there
and it is still possible to do the two steps independently.
The output is basically the sum of the two outputs with minor
differences. Documentation and examples updated, GUI not yet.
You find how to use the "new" pp.x for both post-processing and plotting
(old chdens.x) in espresso3.0/Doc/INPUT_PP
Hope this helps,
Giovanni
--
Dr. Giovanni Cantele
Coherentia CNR-INFM and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario di Monte S. Angelo - Ed. G
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910
Fax: +39 081 676346
E-mail: Giovanni.Cantele at na.infn.it
Web: http://people.na.infn.it/~cantele
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