The ABINIT Users Mailing List ( CLOSED )

[cszakacs@mun.ca]

Hello,

If it is any help, when you run an abinit calculation with the option to 
create
the density file as well, later on you could use the cut3d to convert the
density file to a file with .xsf extension (Xcrysden format). Now this .xsf
file can be visualized with v_sim or Vesta.
It would be useful to have a graphical interface as well for the creation of 
the
input file, but I don't know if there is one available. If any other user has
more information about this, I would appreciate if he/she would share it with
us.

Thanks and best regards,

Csaba

Quoting bond james <champbond1983@gmail.com>:

> Dear Sir,
> In each mail i have written my real name :):)..... Ok sir  i have compile
> V_sim in Linux also. But still the same problem is there.
> How to open Abinit file in linux. One thing , i have configured the V_sim by
> default (./configure).
> Thanks Sir,
> Dev Sharma,
> University of Delhi
> 
> On Fri, Oct 9, 2009 at 5:38 PM, Emmanuel Arras <emmanuel.arras@cea.fr>wrote:
> 
> > I'm afraid the windows version of v_sim doesn't reads abinit inputs.
> >
> > Regards
> >
> > Emmanuel
> >
> >
> > PS: could you change your name (james bond is not very... serious...)
> >
> >
> >
> > bond james a écrit :
> >
> >  hi 2 all,
> >>
> >>  I have downloaded the v_sim-3.4.4-win32 and extract in. Then in the bin
> >> folder i double click on v_sim. It opens three windows. 1) command panel
> 2)
> >> another window with title no file loded and 3) command prompt with the
> >> following GtK-Warning with a number of times
> >> <V_sim.exe:524> Gtk-WARNING **: GtkSpinButton : Setting with non zero
> page
> >> size is deprecated.
> >>
> >> Now when i click on actions--> open (in command panel window) it shows
> all
> >> supported formats, but like i have made my file as ZnO.in  name when i
> >> select all file and clcik on ZnO.in , under the preview it makes a
> quaetion
> >> mark and says not a v_sim file and give error on opening that wrong XYZ
> >> format
> >>
> >> Please help, How to open a Abinit file in the V_sim under Windows.
> >>
> >> Thnaks
> >> With regards,
> >> Dev Sharma,
> >> Univeristy of Delhi
> >> India
> >>
> >
> > --
> > Emmanuel ARRAS
> > L_Sim (Laboratoire de Simulation Atomistique)
> > SP2M / INAC
> > CEA Grenoble
> > tel : 00 33 (0)4 387 86862
> >
> >
> 


-- 
Csaba Szakacs
Memorial University
Dept. of Chemistry
St. John's, NL
Tel.: 737-6118